data_34598 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34598 _Entry.Title ; Tick salivary protein BSAP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-03 _Entry.Accession_date 2021-02-03 _Entry.Last_release_date 2021-03-19 _Entry.Original_release_date 2021-03-19 _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 S. Denisov S. S. . . 34598 2 J. Ippel J. H. . . 34598 3 E. Castoldi E. . . . 34598 4 T. Hackeng T. M. . . 34598 5 I. Dijkgraaf I. . . . 34598 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID IMMUNOSUPPRESSANT . 34598 complement . 34598 'lectin pathway' . 34598 'tick salivary protein' . 34598 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34598 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 241 34598 '15N chemical shifts' 98 34598 '1H chemical shifts' 521 34598 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-02-15 2021-02-03 update BMRB 'update entry citation' 34598 1 . . 2021-06-18 2021-02-03 original author 'original release' 34598 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7NE8 'BMRB Entry Tracking System' 34598 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34598 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34118237 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The basic tail of the tick salivary protein Salp14 inhibits early stages of blood coagulation and the lectin complement pathway. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 297 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 100865 _Citation.Page_last 100865 _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 Stepan Denisov S. S. . . 34598 1 2 Johannes Ippel J. H. . . 34598 1 3 Elisabetta Castoldi E. . . . 34598 1 4 Ben Mans B. J. . . 34598 1 5 Tilman Hackeng T. M. . . 34598 1 6 Ingrid Dijkgraaf I. . . . 34598 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34598 _Assembly.ID 1 _Assembly.Name 'tick salivary protein BSAP1' _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 . . . . . . 34598 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 22 22 SG . . . . . . . . . . . . 34598 1 2 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 49 49 SG . . . . . . . . . . . . 34598 1 3 disulfide single . 1 . 1 CYS 39 39 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . . . 34598 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34598 _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 ; DSEFPCPRKQQPAGNSECSY YCEMNGQWKLGKFQNGARCD YNAVKDGVCNEGLCYASGDS ASNTQNQGGSRRQENEDQGD DEWDRK ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9634.224 _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 . ASP . 34598 1 2 . SER . 34598 1 3 . GLU . 34598 1 4 . PHE . 34598 1 5 . PRO . 34598 1 6 . CYS . 34598 1 7 . PRO . 34598 1 8 . ARG . 34598 1 9 . LYS . 34598 1 10 . GLN . 34598 1 11 . GLN . 34598 1 12 . PRO . 34598 1 13 . ALA . 34598 1 14 . GLY . 34598 1 15 . ASN . 34598 1 16 . SER . 34598 1 17 . GLU . 34598 1 18 . CYS . 34598 1 19 . SER . 34598 1 20 . TYR . 34598 1 21 . TYR . 34598 1 22 . CYS . 34598 1 23 . GLU . 34598 1 24 . MET . 34598 1 25 . ASN . 34598 1 26 . GLY . 34598 1 27 . GLN . 34598 1 28 . TRP . 34598 1 29 . LYS . 34598 1 30 . LEU . 34598 1 31 . GLY . 34598 1 32 . LYS . 34598 1 33 . PHE . 34598 1 34 . GLN . 34598 1 35 . ASN . 34598 1 36 . GLY . 34598 1 37 . ALA . 34598 1 38 . ARG . 34598 1 39 . CYS . 34598 1 40 . ASP . 34598 1 41 . TYR . 34598 1 42 . ASN . 34598 1 43 . ALA . 34598 1 44 . VAL . 34598 1 45 . LYS . 34598 1 46 . ASP . 34598 1 47 . GLY . 34598 1 48 . VAL . 34598 1 49 . CYS . 34598 1 50 . ASN . 34598 1 51 . GLU . 34598 1 52 . GLY . 34598 1 53 . LEU . 34598 1 54 . CYS . 34598 1 55 . TYR . 34598 1 56 . ALA . 34598 1 57 . SER . 34598 1 58 . GLY . 34598 1 59 . ASP . 34598 1 60 . SER . 34598 1 61 . ALA . 34598 1 62 . SER . 34598 1 63 . ASN . 34598 1 64 . THR . 34598 1 65 . GLN . 34598 1 66 . ASN . 34598 1 67 . GLN . 34598 1 68 . GLY . 34598 1 69 . GLY . 34598 1 70 . SER . 34598 1 71 . ARG . 34598 1 72 . ARG . 34598 1 73 . GLN . 34598 1 74 . GLU . 34598 1 75 . ASN . 34598 1 76 . GLU . 34598 1 77 . ASP . 34598 1 78 . GLN . 34598 1 79 . GLY . 34598 1 80 . ASP . 34598 1 81 . ASP . 34598 1 82 . GLU . 34598 1 83 . TRP . 34598 1 84 . ASP . 34598 1 85 . ARG . 34598 1 86 . LYS . 34598 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 . ASP 1 1 34598 1 . SER 2 2 34598 1 . GLU 3 3 34598 1 . PHE 4 4 34598 1 . PRO 5 5 34598 1 . CYS 6 6 34598 1 . PRO 7 7 34598 1 . ARG 8 8 34598 1 . LYS 9 9 34598 1 . GLN 10 10 34598 1 . GLN 11 11 34598 1 . PRO 12 12 34598 1 . ALA 13 13 34598 1 . GLY 14 14 34598 1 . ASN 15 15 34598 1 . SER 16 16 34598 1 . GLU 17 17 34598 1 . CYS 18 18 34598 1 . SER 19 19 34598 1 . TYR 20 20 34598 1 . TYR 21 21 34598 1 . CYS 22 22 34598 1 . GLU 23 23 34598 1 . MET 24 24 34598 1 . ASN 25 25 34598 1 . GLY 26 26 34598 1 . GLN 27 27 34598 1 . TRP 28 28 34598 1 . LYS 29 29 34598 1 . LEU 30 30 34598 1 . GLY 31 31 34598 1 . LYS 32 32 34598 1 . PHE 33 33 34598 1 . GLN 34 34 34598 1 . ASN 35 35 34598 1 . GLY 36 36 34598 1 . ALA 37 37 34598 1 . ARG 38 38 34598 1 . CYS 39 39 34598 1 . ASP 40 40 34598 1 . TYR 41 41 34598 1 . ASN 42 42 34598 1 . ALA 43 43 34598 1 . VAL 44 44 34598 1 . LYS 45 45 34598 1 . ASP 46 46 34598 1 . GLY 47 47 34598 1 . VAL 48 48 34598 1 . CYS 49 49 34598 1 . ASN 50 50 34598 1 . GLU 51 51 34598 1 . GLY 52 52 34598 1 . LEU 53 53 34598 1 . CYS 54 54 34598 1 . TYR 55 55 34598 1 . ALA 56 56 34598 1 . SER 57 57 34598 1 . GLY 58 58 34598 1 . ASP 59 59 34598 1 . SER 60 60 34598 1 . ALA 61 61 34598 1 . SER 62 62 34598 1 . ASN 63 63 34598 1 . THR 64 64 34598 1 . GLN 65 65 34598 1 . ASN 66 66 34598 1 . GLN 67 67 34598 1 . GLY 68 68 34598 1 . GLY 69 69 34598 1 . SER 70 70 34598 1 . ARG 71 71 34598 1 . ARG 72 72 34598 1 . GLN 73 73 34598 1 . GLU 74 74 34598 1 . ASN 75 75 34598 1 . GLU 76 76 34598 1 . ASP 77 77 34598 1 . GLN 78 78 34598 1 . GLY 79 79 34598 1 . ASP 80 80 34598 1 . ASP 81 81 34598 1 . GLU 82 82 34598 1 . TRP 83 83 34598 1 . ASP 84 84 34598 1 . ARG 85 85 34598 1 . LYS 86 86 34598 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 34598 _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 . 69826 organism . 'Ornithodoros savignyi' 'Ornithodoros savignyi' . . Eukaryota Metazoa Ornithodoros savignyi . . . . . . . . . . . . . 34598 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 34598 _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' . . 562 Escherichia coli . . . . . . . . . . 34598 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34598 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '350 uM [U-13C; U-15N] tick salivary protein BSAP1, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'tick salivary protein BSAP1' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 350 . . uM . . . . 34598 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 34598 _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' 20 . mM 34598 1 pH 7.1 . pH 34598 1 pressure 1 . atm 34598 1 temperature 303 . K 34598 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34598 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL' . . 34598 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34598 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34598 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34598 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34598 2 'structure calculation' . 34598 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34598 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34598 _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 Bruker 'AVANCE III HD' . 700 . . . 34598 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 34598 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34598 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 34598 _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 . . . . . 34598 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34598 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34598 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 34598 _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 '2D NOESY' . . . 34598 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 ASP HA H 1 4.574 0.00 . . . . . . A 1 ASP HA . 34598 1 2 . 1 . 1 1 1 ASP HB2 H 1 2.607 0.00 . . . . . . A 1 ASP HB2 . 34598 1 3 . 1 . 1 1 1 ASP HB3 H 1 2.783 0.00 . . . . . . A 1 ASP HB3 . 34598 1 4 . 1 . 1 1 1 ASP CA C 13 54.499 0.00 . . . . . . A 1 ASP CA . 34598 1 5 . 1 . 1 1 1 ASP CB C 13 41.599 0.00 . . . . . . A 1 ASP CB . 34598 1 6 . 1 . 1 2 2 SER H H 1 8.442 0.00 . . . . . . A 2 SER H . 34598 1 7 . 1 . 1 2 2 SER HA H 1 4.305 0.00 . . . . . . A 2 SER HA . 34598 1 8 . 1 . 1 2 2 SER HB2 H 1 3.776 0.00 . . . . . . A 2 SER HB2 . 34598 1 9 . 1 . 1 2 2 SER HB3 H 1 3.889 0.00 . . . . . . A 2 SER HB3 . 34598 1 10 . 1 . 1 2 2 SER CA C 13 59.191 0.00 . . . . . . A 2 SER CA . 34598 1 11 . 1 . 1 2 2 SER CB C 13 63.726 0.00 . . . . . . A 2 SER CB . 34598 1 12 . 1 . 1 2 2 SER N N 15 116.679 0.01 . . . . . . A 2 SER N . 34598 1 13 . 1 . 1 3 3 GLU H H 1 8.267 0.00 . . . . . . A 3 GLU H . 34598 1 14 . 1 . 1 3 3 GLU HA H 1 4.214 0.00 . . . . . . A 3 GLU HA . 34598 1 15 . 1 . 1 3 3 GLU HB2 H 1 1.927 0.00 . . . . . . A 3 GLU HB2 . 34598 1 16 . 1 . 1 3 3 GLU HB3 H 1 1.927 0.00 . . . . . . A 3 GLU HB3 . 34598 1 17 . 1 . 1 3 3 GLU HG2 H 1 2.107 0.00 . . . . . . A 3 GLU HG2 . 34598 1 18 . 1 . 1 3 3 GLU HG3 H 1 2.220 0.00 . . . . . . A 3 GLU HG3 . 34598 1 19 . 1 . 1 3 3 GLU CA C 13 57.098 0.00 . . . . . . A 3 GLU CA . 34598 1 20 . 1 . 1 3 3 GLU CB C 13 30.686 0.00 . . . . . . A 3 GLU CB . 34598 1 21 . 1 . 1 3 3 GLU CG C 13 36.489 0.00 . . . . . . A 3 GLU CG . 34598 1 22 . 1 . 1 3 3 GLU N N 15 121.938 0.00 . . . . . . A 3 GLU N . 34598 1 23 . 1 . 1 4 4 PHE H H 1 8.161 0.00 . . . . . . A 4 PHE H . 34598 1 24 . 1 . 1 4 4 PHE HA H 1 4.915 0.00 . . . . . . A 4 PHE HA . 34598 1 25 . 1 . 1 4 4 PHE HB2 H 1 2.822 0.00 . . . . . . A 4 PHE HB2 . 34598 1 26 . 1 . 1 4 4 PHE HB3 H 1 2.822 0.00 . . . . . . A 4 PHE HB3 . 34598 1 27 . 1 . 1 4 4 PHE HD1 H 1 6.806 0.00 . . . . . . A 4 PHE HD1 . 34598 1 28 . 1 . 1 4 4 PHE HD2 H 1 6.806 0.00 . . . . . . A 4 PHE HD2 . 34598 1 29 . 1 . 1 4 4 PHE HE1 H 1 7.198 0.00 . . . . . . A 4 PHE HE1 . 34598 1 30 . 1 . 1 4 4 PHE HE2 H 1 7.198 0.00 . . . . . . A 4 PHE HE2 . 34598 1 31 . 1 . 1 4 4 PHE HZ H 1 7.137 0.00 . . . . . . A 4 PHE HZ . 34598 1 32 . 1 . 1 4 4 PHE CA C 13 55.039 0.00 . . . . . . A 4 PHE CA . 34598 1 33 . 1 . 1 4 4 PHE CB C 13 40.618 0.00 . . . . . . A 4 PHE CB . 34598 1 34 . 1 . 1 4 4 PHE CD1 C 13 132.831 0.00 . . . . . . A 4 PHE CD1 . 34598 1 35 . 1 . 1 4 4 PHE CD2 C 13 132.831 0.00 . . . . . . A 4 PHE CD2 . 34598 1 36 . 1 . 1 4 4 PHE CE1 C 13 131.181 0.00 . . . . . . A 4 PHE CE1 . 34598 1 37 . 1 . 1 4 4 PHE CE2 C 13 131.181 0.00 . . . . . . A 4 PHE CE2 . 34598 1 38 . 1 . 1 4 4 PHE CZ C 13 129.640 0.00 . . . . . . A 4 PHE CZ . 34598 1 39 . 1 . 1 4 4 PHE N N 15 117.162 0.00 . . . . . . A 4 PHE N . 34598 1 40 . 1 . 1 5 5 PRO HA H 1 4.546 0.00 . . . . . . A 5 PRO HA . 34598 1 41 . 1 . 1 5 5 PRO HB2 H 1 1.913 0.00 . . . . . . A 5 PRO HB2 . 34598 1 42 . 1 . 1 5 5 PRO HB3 H 1 2.216 0.00 . . . . . . A 5 PRO HB3 . 34598 1 43 . 1 . 1 5 5 PRO HG2 H 1 1.919 0.00 . . . . . . A 5 PRO HG2 . 34598 1 44 . 1 . 1 5 5 PRO HG3 H 1 1.975 0.00 . . . . . . A 5 PRO HG3 . 34598 1 45 . 1 . 1 5 5 PRO HD2 H 1 3.359 0.00 . . . . . . A 5 PRO HD2 . 34598 1 46 . 1 . 1 5 5 PRO HD3 H 1 4.110 0.00 . . . . . . A 5 PRO HD3 . 34598 1 47 . 1 . 1 5 5 PRO CA C 13 64.164 0.00 . . . . . . A 5 PRO CA . 34598 1 48 . 1 . 1 5 5 PRO CB C 13 32.564 0.00 . . . . . . A 5 PRO CB . 34598 1 49 . 1 . 1 5 5 PRO CG C 13 27.382 0.00 . . . . . . A 5 PRO CG . 34598 1 50 . 1 . 1 5 5 PRO CD C 13 49.606 0.00 . . . . . . A 5 PRO CD . 34598 1 51 . 1 . 1 6 6 CYS H H 1 7.846 0.00 . . . . . . A 6 CYS H . 34598 1 52 . 1 . 1 6 6 CYS HA H 1 4.537 0.00 . . . . . . A 6 CYS HA . 34598 1 53 . 1 . 1 6 6 CYS HB2 H 1 2.360 0.00 . . . . . . A 6 CYS HB2 . 34598 1 54 . 1 . 1 6 6 CYS HB3 H 1 2.978 0.00 . . . . . . A 6 CYS HB3 . 34598 1 55 . 1 . 1 6 6 CYS CA C 13 56.359 0.00 . . . . . . A 6 CYS CA . 34598 1 56 . 1 . 1 6 6 CYS CB C 13 40.824 0.00 . . . . . . A 6 CYS CB . 34598 1 57 . 1 . 1 6 6 CYS N N 15 120.182 0.00 . . . . . . A 6 CYS N . 34598 1 58 . 1 . 1 7 7 PRO HA H 1 4.463 0.00 . . . . . . A 7 PRO HA . 34598 1 59 . 1 . 1 7 7 PRO HB2 H 1 1.835 0.00 . . . . . . A 7 PRO HB2 . 34598 1 60 . 1 . 1 7 7 PRO HB3 H 1 2.406 0.00 . . . . . . A 7 PRO HB3 . 34598 1 61 . 1 . 1 7 7 PRO HG2 H 1 2.126 0.00 . . . . . . A 7 PRO HG2 . 34598 1 62 . 1 . 1 7 7 PRO HG3 H 1 2.126 0.00 . . . . . . A 7 PRO HG3 . 34598 1 63 . 1 . 1 7 7 PRO HD2 H 1 3.703 0.00 . . . . . . A 7 PRO HD2 . 34598 1 64 . 1 . 1 7 7 PRO HD3 H 1 3.894 0.00 . . . . . . A 7 PRO HD3 . 34598 1 65 . 1 . 1 7 7 PRO CA C 13 63.147 0.00 . . . . . . A 7 PRO CA . 34598 1 66 . 1 . 1 7 7 PRO CB C 13 32.272 0.00 . . . . . . A 7 PRO CB . 34598 1 67 . 1 . 1 7 7 PRO CG C 13 27.914 0.00 . . . . . . A 7 PRO CG . 34598 1 68 . 1 . 1 7 7 PRO CD C 13 50.110 0.01 . . . . . . A 7 PRO CD . 34598 1 69 . 1 . 1 8 8 ARG H H 1 8.755 0.00 . . . . . . A 8 ARG H . 34598 1 70 . 1 . 1 8 8 ARG HA H 1 5.007 0.00 . . . . . . A 8 ARG HA . 34598 1 71 . 1 . 1 8 8 ARG HB2 H 1 1.769 0.00 . . . . . . A 8 ARG HB2 . 34598 1 72 . 1 . 1 8 8 ARG HB3 H 1 1.845 0.00 . . . . . . A 8 ARG HB3 . 34598 1 73 . 1 . 1 8 8 ARG HG2 H 1 1.561 0.00 . . . . . . A 8 ARG HG2 . 34598 1 74 . 1 . 1 8 8 ARG HG3 H 1 1.561 0.00 . . . . . . A 8 ARG HG3 . 34598 1 75 . 1 . 1 8 8 ARG HD2 H 1 3.092 0.00 . . . . . . A 8 ARG HD2 . 34598 1 76 . 1 . 1 8 8 ARG HD3 H 1 3.135 0.00 . . . . . . A 8 ARG HD3 . 34598 1 77 . 1 . 1 8 8 ARG CA C 13 56.857 0.00 . . . . . . A 8 ARG CA . 34598 1 78 . 1 . 1 8 8 ARG CB C 13 30.131 0.00 . . . . . . A 8 ARG CB . 34598 1 79 . 1 . 1 8 8 ARG CG C 13 27.808 0.00 . . . . . . A 8 ARG CG . 34598 1 80 . 1 . 1 8 8 ARG CD C 13 44.026 0.00 . . . . . . A 8 ARG CD . 34598 1 81 . 1 . 1 8 8 ARG N N 15 125.803 0.01 . . . . . . A 8 ARG N . 34598 1 82 . 1 . 1 9 9 LYS H H 1 8.513 0.00 . . . . . . A 9 LYS H . 34598 1 83 . 1 . 1 9 9 LYS HA H 1 4.760 0.00 . . . . . . A 9 LYS HA . 34598 1 84 . 1 . 1 9 9 LYS HB2 H 1 1.544 0.00 . . . . . . A 9 LYS HB2 . 34598 1 85 . 1 . 1 9 9 LYS HB3 H 1 1.699 0.00 . . . . . . A 9 LYS HB3 . 34598 1 86 . 1 . 1 9 9 LYS HG2 H 1 1.194 0.00 . . . . . . A 9 LYS HG2 . 34598 1 87 . 1 . 1 9 9 LYS HG3 H 1 1.272 0.00 . . . . . . A 9 LYS HG3 . 34598 1 88 . 1 . 1 9 9 LYS HD2 H 1 1.041 0.01 . . . . . . A 9 LYS HD2 . 34598 1 89 . 1 . 1 9 9 LYS HD3 H 1 1.041 0.01 . . . . . . A 9 LYS HD3 . 34598 1 90 . 1 . 1 9 9 LYS HE2 H 1 2.284 0.00 . . . . . . A 9 LYS HE2 . 34598 1 91 . 1 . 1 9 9 LYS HE3 H 1 2.655 0.00 . . . . . . A 9 LYS HE3 . 34598 1 92 . 1 . 1 9 9 LYS CA C 13 54.756 0.00 . . . . . . A 9 LYS CA . 34598 1 93 . 1 . 1 9 9 LYS CB C 13 37.141 0.00 . . . . . . A 9 LYS CB . 34598 1 94 . 1 . 1 9 9 LYS CG C 13 24.394 0.01 . . . . . . A 9 LYS CG . 34598 1 95 . 1 . 1 9 9 LYS CD C 13 29.219 0.00 . . . . . . A 9 LYS CD . 34598 1 96 . 1 . 1 9 9 LYS CE C 13 41.840 0.00 . . . . . . A 9 LYS CE . 34598 1 97 . 1 . 1 9 9 LYS N N 15 124.727 0.00 . . . . . . A 9 LYS N . 34598 1 98 . 1 . 1 10 10 GLN H H 1 8.108 0.00 . . . . . . A 10 GLN H . 34598 1 99 . 1 . 1 10 10 GLN HA H 1 4.399 0.00 . . . . . . A 10 GLN HA . 34598 1 100 . 1 . 1 10 10 GLN HB2 H 1 1.783 0.00 . . . . . . A 10 GLN HB2 . 34598 1 101 . 1 . 1 10 10 GLN HB3 H 1 1.783 0.00 . . . . . . A 10 GLN HB3 . 34598 1 102 . 1 . 1 10 10 GLN HG2 H 1 2.234 0.00 . . . . . . A 10 GLN HG2 . 34598 1 103 . 1 . 1 10 10 GLN HG3 H 1 2.289 0.00 . . . . . . A 10 GLN HG3 . 34598 1 104 . 1 . 1 10 10 GLN HE21 H 1 7.465 0.00 . . . . . . A 10 GLN HE21 . 34598 1 105 . 1 . 1 10 10 GLN HE22 H 1 6.719 0.00 . . . . . . A 10 GLN HE22 . 34598 1 106 . 1 . 1 10 10 GLN CA C 13 54.472 0.00 . . . . . . A 10 GLN CA . 34598 1 107 . 1 . 1 10 10 GLN CB C 13 29.344 0.00 . . . . . . A 10 GLN CB . 34598 1 108 . 1 . 1 10 10 GLN CG C 13 33.948 0.00 . . . . . . A 10 GLN CG . 34598 1 109 . 1 . 1 10 10 GLN N N 15 118.309 0.00 . . . . . . A 10 GLN N . 34598 1 110 . 1 . 1 10 10 GLN NE2 N 15 111.721 0.00 . . . . . . A 10 GLN NE2 . 34598 1 111 . 1 . 1 11 11 GLN H H 1 9.063 0.00 . . . . . . A 11 GLN H . 34598 1 112 . 1 . 1 11 11 GLN HA H 1 2.133 0.00 . . . . . . A 11 GLN HA . 34598 1 113 . 1 . 1 11 11 GLN HB2 H 1 1.274 0.01 . . . . . . A 11 GLN HB2 . 34598 1 114 . 1 . 1 11 11 GLN HB3 H 1 1.937 0.00 . . . . . . A 11 GLN HB3 . 34598 1 115 . 1 . 1 11 11 GLN HG2 H 1 1.933 0.00 . . . . . . A 11 GLN HG2 . 34598 1 116 . 1 . 1 11 11 GLN HG3 H 1 2.042 0.00 . . . . . . A 11 GLN HG3 . 34598 1 117 . 1 . 1 11 11 GLN HE21 H 1 8.403 0.00 . . . . . . A 11 GLN HE21 . 34598 1 118 . 1 . 1 11 11 GLN HE22 H 1 7.505 0.00 . . . . . . A 11 GLN HE22 . 34598 1 119 . 1 . 1 11 11 GLN CA C 13 53.876 0.00 . . . . . . A 11 GLN CA . 34598 1 120 . 1 . 1 11 11 GLN CB C 13 31.966 0.00 . . . . . . A 11 GLN CB . 34598 1 121 . 1 . 1 11 11 GLN CG C 13 34.255 0.01 . . . . . . A 11 GLN CG . 34598 1 122 . 1 . 1 11 11 GLN N N 15 127.633 0.00 . . . . . . A 11 GLN N . 34598 1 123 . 1 . 1 11 11 GLN NE2 N 15 114.773 0.00 . . . . . . A 11 GLN NE2 . 34598 1 124 . 1 . 1 12 12 PRO HA H 1 4.338 0.00 . . . . . . A 12 PRO HA . 34598 1 125 . 1 . 1 12 12 PRO HB2 H 1 1.808 0.00 . . . . . . A 12 PRO HB2 . 34598 1 126 . 1 . 1 12 12 PRO HB3 H 1 2.255 0.00 . . . . . . A 12 PRO HB3 . 34598 1 127 . 1 . 1 12 12 PRO HG2 H 1 1.845 0.00 . . . . . . A 12 PRO HG2 . 34598 1 128 . 1 . 1 12 12 PRO HG3 H 1 1.925 0.00 . . . . . . A 12 PRO HG3 . 34598 1 129 . 1 . 1 12 12 PRO HD2 H 1 2.669 0.00 . . . . . . A 12 PRO HD2 . 34598 1 130 . 1 . 1 12 12 PRO HD3 H 1 3.354 0.00 . . . . . . A 12 PRO HD3 . 34598 1 131 . 1 . 1 12 12 PRO CA C 13 62.434 0.00 . . . . . . A 12 PRO CA . 34598 1 132 . 1 . 1 12 12 PRO CB C 13 32.591 0.00 . . . . . . A 12 PRO CB . 34598 1 133 . 1 . 1 12 12 PRO CG C 13 26.819 0.00 . . . . . . A 12 PRO CG . 34598 1 134 . 1 . 1 12 12 PRO CD C 13 52.610 0.00 . . . . . . A 12 PRO CD . 34598 1 135 . 1 . 1 13 13 ALA H H 1 8.445 0.00 . . . . . . A 13 ALA H . 34598 1 136 . 1 . 1 13 13 ALA HA H 1 4.106 0.00 . . . . . . A 13 ALA HA . 34598 1 137 . 1 . 1 13 13 ALA HB1 H 1 1.350 0.00 . . . . . . A 13 ALA HB1 . 34598 1 138 . 1 . 1 13 13 ALA HB2 H 1 1.350 0.00 . . . . . . A 13 ALA HB2 . 34598 1 139 . 1 . 1 13 13 ALA HB3 H 1 1.350 0.00 . . . . . . A 13 ALA HB3 . 34598 1 140 . 1 . 1 13 13 ALA CA C 13 53.656 0.00 . . . . . . A 13 ALA CA . 34598 1 141 . 1 . 1 13 13 ALA CB C 13 17.960 0.00 . . . . . . A 13 ALA CB . 34598 1 142 . 1 . 1 13 13 ALA N N 15 124.496 0.00 . . . . . . A 13 ALA N . 34598 1 143 . 1 . 1 14 14 GLY H H 1 8.723 0.00 . . . . . . A 14 GLY H . 34598 1 144 . 1 . 1 14 14 GLY HA2 H 1 3.689 0.00 . . . . . . A 14 GLY HA2 . 34598 1 145 . 1 . 1 14 14 GLY HA3 H 1 4.106 0.00 . . . . . . A 14 GLY HA3 . 34598 1 146 . 1 . 1 14 14 GLY CA C 13 45.699 0.01 . . . . . . A 14 GLY CA . 34598 1 147 . 1 . 1 14 14 GLY N N 15 111.058 0.01 . . . . . . A 14 GLY N . 34598 1 148 . 1 . 1 15 15 ASN H H 1 7.604 0.00 . . . . . . A 15 ASN H . 34598 1 149 . 1 . 1 15 15 ASN HA H 1 4.810 0.00 . . . . . . A 15 ASN HA . 34598 1 150 . 1 . 1 15 15 ASN HB2 H 1 2.396 0.00 . . . . . . A 15 ASN HB2 . 34598 1 151 . 1 . 1 15 15 ASN HB3 H 1 2.737 0.00 . . . . . . A 15 ASN HB3 . 34598 1 152 . 1 . 1 15 15 ASN HD21 H 1 7.653 0.00 . . . . . . A 15 ASN HD21 . 34598 1 153 . 1 . 1 15 15 ASN HD22 H 1 7.571 0.00 . . . . . . A 15 ASN HD22 . 34598 1 154 . 1 . 1 15 15 ASN CA C 13 52.985 0.00 . . . . . . A 15 ASN CA . 34598 1 155 . 1 . 1 15 15 ASN CB C 13 41.611 0.00 . . . . . . A 15 ASN CB . 34598 1 156 . 1 . 1 15 15 ASN N N 15 121.709 0.00 . . . . . . A 15 ASN N . 34598 1 157 . 1 . 1 15 15 ASN ND2 N 15 111.949 0.00 . . . . . . A 15 ASN ND2 . 34598 1 158 . 1 . 1 16 16 SER H H 1 8.819 0.00 . . . . . . A 16 SER H . 34598 1 159 . 1 . 1 16 16 SER HA H 1 4.869 0.00 . . . . . . A 16 SER HA . 34598 1 160 . 1 . 1 16 16 SER HB2 H 1 3.871 0.00 . . . . . . A 16 SER HB2 . 34598 1 161 . 1 . 1 16 16 SER HB3 H 1 3.871 0.00 . . . . . . A 16 SER HB3 . 34598 1 162 . 1 . 1 16 16 SER CA C 13 56.590 0.00 . . . . . . A 16 SER CA . 34598 1 163 . 1 . 1 16 16 SER CB C 13 64.248 0.00 . . . . . . A 16 SER CB . 34598 1 164 . 1 . 1 16 16 SER N N 15 120.300 0.00 . . . . . . A 16 SER N . 34598 1 165 . 1 . 1 17 17 GLU H H 1 9.069 0.00 . . . . . . A 17 GLU H . 34598 1 166 . 1 . 1 17 17 GLU HA H 1 4.826 0.00 . . . . . . A 17 GLU HA . 34598 1 167 . 1 . 1 17 17 GLU HB2 H 1 2.537 0.00 . . . . . . A 17 GLU HB2 . 34598 1 168 . 1 . 1 17 17 GLU HB3 H 1 2.726 0.00 . . . . . . A 17 GLU HB3 . 34598 1 169 . 1 . 1 17 17 GLU HG2 H 1 2.441 0.00 . . . . . . A 17 GLU HG2 . 34598 1 170 . 1 . 1 17 17 GLU HG3 H 1 2.515 0.00 . . . . . . A 17 GLU HG3 . 34598 1 171 . 1 . 1 17 17 GLU CA C 13 55.385 0.00 . . . . . . A 17 GLU CA . 34598 1 172 . 1 . 1 17 17 GLU CB C 13 32.622 0.00 . . . . . . A 17 GLU CB . 34598 1 173 . 1 . 1 17 17 GLU CG C 13 37.331 0.00 . . . . . . A 17 GLU CG . 34598 1 174 . 1 . 1 17 17 GLU N N 15 121.871 0.00 . . . . . . A 17 GLU N . 34598 1 175 . 1 . 1 18 18 CYS H H 1 8.617 0.00 . . . . . . A 18 CYS H . 34598 1 176 . 1 . 1 18 18 CYS HA H 1 5.314 0.00 . . . . . . A 18 CYS HA . 34598 1 177 . 1 . 1 18 18 CYS HB2 H 1 2.169 0.00 . . . . . . A 18 CYS HB2 . 34598 1 178 . 1 . 1 18 18 CYS HB3 H 1 2.912 0.00 . . . . . . A 18 CYS HB3 . 34598 1 179 . 1 . 1 18 18 CYS CA C 13 54.104 0.00 . . . . . . A 18 CYS CA . 34598 1 180 . 1 . 1 18 18 CYS CB C 13 38.581 0.00 . . . . . . A 18 CYS CB . 34598 1 181 . 1 . 1 18 18 CYS N N 15 111.750 0.00 . . . . . . A 18 CYS N . 34598 1 182 . 1 . 1 19 19 SER H H 1 7.622 0.00 . . . . . . A 19 SER H . 34598 1 183 . 1 . 1 19 19 SER HA H 1 4.689 0.00 . . . . . . A 19 SER HA . 34598 1 184 . 1 . 1 19 19 SER HB2 H 1 3.898 0.00 . . . . . . A 19 SER HB2 . 34598 1 185 . 1 . 1 19 19 SER HB3 H 1 3.985 0.00 . . . . . . A 19 SER HB3 . 34598 1 186 . 1 . 1 19 19 SER CA C 13 55.918 0.00 . . . . . . A 19 SER CA . 34598 1 187 . 1 . 1 19 19 SER CB C 13 66.845 0.00 . . . . . . A 19 SER CB . 34598 1 188 . 1 . 1 19 19 SER N N 15 115.303 0.00 . . . . . . A 19 SER N . 34598 1 189 . 1 . 1 20 20 TYR H H 1 8.413 0.00 . . . . . . A 20 TYR H . 34598 1 190 . 1 . 1 20 20 TYR HA H 1 4.737 0.01 . . . . . . A 20 TYR HA . 34598 1 191 . 1 . 1 20 20 TYR HB2 H 1 2.848 0.00 . . . . . . A 20 TYR HB2 . 34598 1 192 . 1 . 1 20 20 TYR HB3 H 1 3.094 0.00 . . . . . . A 20 TYR HB3 . 34598 1 193 . 1 . 1 20 20 TYR HD1 H 1 7.138 0.00 . . . . . . A 20 TYR HD1 . 34598 1 194 . 1 . 1 20 20 TYR HD2 H 1 7.138 0.00 . . . . . . A 20 TYR HD2 . 34598 1 195 . 1 . 1 20 20 TYR CA C 13 54.982 0.00 . . . . . . A 20 TYR CA . 34598 1 196 . 1 . 1 20 20 TYR CB C 13 41.394 0.01 . . . . . . A 20 TYR CB . 34598 1 197 . 1 . 1 20 20 TYR N N 15 116.992 0.00 . . . . . . A 20 TYR N . 34598 1 198 . 1 . 1 21 21 TYR H H 1 8.476 0.00 . . . . . . A 21 TYR H . 34598 1 199 . 1 . 1 21 21 TYR HA H 1 5.579 0.00 . . . . . . A 21 TYR HA . 34598 1 200 . 1 . 1 21 21 TYR HB2 H 1 2.747 0.00 . . . . . . A 21 TYR HB2 . 34598 1 201 . 1 . 1 21 21 TYR HB3 H 1 2.998 0.01 . . . . . . A 21 TYR HB3 . 34598 1 202 . 1 . 1 21 21 TYR HD1 H 1 6.982 0.00 . . . . . . A 21 TYR HD1 . 34598 1 203 . 1 . 1 21 21 TYR HD2 H 1 6.982 0.00 . . . . . . A 21 TYR HD2 . 34598 1 204 . 1 . 1 21 21 TYR HE1 H 1 6.685 0.00 . . . . . . A 21 TYR HE1 . 34598 1 205 . 1 . 1 21 21 TYR HE2 H 1 6.685 0.00 . . . . . . A 21 TYR HE2 . 34598 1 206 . 1 . 1 21 21 TYR CA C 13 56.998 0.00 . . . . . . A 21 TYR CA . 34598 1 207 . 1 . 1 21 21 TYR CB C 13 41.514 0.02 . . . . . . A 21 TYR CB . 34598 1 208 . 1 . 1 21 21 TYR CD1 C 13 133.185 0.00 . . . . . . A 21 TYR CD1 . 34598 1 209 . 1 . 1 21 21 TYR CD2 C 13 133.185 0.00 . . . . . . A 21 TYR CD2 . 34598 1 210 . 1 . 1 21 21 TYR CE1 C 13 118.148 0.00 . . . . . . A 21 TYR CE1 . 34598 1 211 . 1 . 1 21 21 TYR CE2 C 13 118.148 0.00 . . . . . . A 21 TYR CE2 . 34598 1 212 . 1 . 1 21 21 TYR N N 15 116.820 0.00 . . . . . . A 21 TYR N . 34598 1 213 . 1 . 1 22 22 CYS H H 1 9.718 0.00 . . . . . . A 22 CYS H . 34598 1 214 . 1 . 1 22 22 CYS HA H 1 5.449 0.00 . . . . . . A 22 CYS HA . 34598 1 215 . 1 . 1 22 22 CYS HB2 H 1 3.216 0.00 . . . . . . A 22 CYS HB2 . 34598 1 216 . 1 . 1 22 22 CYS HB3 H 1 3.375 0.00 . . . . . . A 22 CYS HB3 . 34598 1 217 . 1 . 1 22 22 CYS CA C 13 55.528 0.00 . . . . . . A 22 CYS CA . 34598 1 218 . 1 . 1 22 22 CYS CB C 13 43.859 0.00 . . . . . . A 22 CYS CB . 34598 1 219 . 1 . 1 22 22 CYS N N 15 122.684 0.00 . . . . . . A 22 CYS N . 34598 1 220 . 1 . 1 23 23 GLU H H 1 8.333 0.00 . . . . . . A 23 GLU H . 34598 1 221 . 1 . 1 23 23 GLU HA H 1 4.211 0.00 . . . . . . A 23 GLU HA . 34598 1 222 . 1 . 1 23 23 GLU HB2 H 1 0.681 0.01 . . . . . . A 23 GLU HB2 . 34598 1 223 . 1 . 1 23 23 GLU HB3 H 1 1.443 0.01 . . . . . . A 23 GLU HB3 . 34598 1 224 . 1 . 1 23 23 GLU HG2 H 1 1.125 0.00 . . . . . . A 23 GLU HG2 . 34598 1 225 . 1 . 1 23 23 GLU HG3 H 1 1.125 0.00 . . . . . . A 23 GLU HG3 . 34598 1 226 . 1 . 1 23 23 GLU CA C 13 55.156 0.00 . . . . . . A 23 GLU CA . 34598 1 227 . 1 . 1 23 23 GLU CB C 13 29.820 0.00 . . . . . . A 23 GLU CB . 34598 1 228 . 1 . 1 23 23 GLU CG C 13 35.918 0.00 . . . . . . A 23 GLU CG . 34598 1 229 . 1 . 1 23 23 GLU N N 15 124.012 0.00 . . . . . . A 23 GLU N . 34598 1 230 . 1 . 1 24 24 MET H H 1 8.982 0.00 . . . . . . A 24 MET H . 34598 1 231 . 1 . 1 24 24 MET HA H 1 4.540 0.00 . . . . . . A 24 MET HA . 34598 1 232 . 1 . 1 24 24 MET HB2 H 1 1.702 0.00 . . . . . . A 24 MET HB2 . 34598 1 233 . 1 . 1 24 24 MET HB3 H 1 1.910 0.00 . . . . . . A 24 MET HB3 . 34598 1 234 . 1 . 1 24 24 MET HG2 H 1 2.405 0.00 . . . . . . A 24 MET HG2 . 34598 1 235 . 1 . 1 24 24 MET HG3 H 1 2.405 0.00 . . . . . . A 24 MET HG3 . 34598 1 236 . 1 . 1 24 24 MET HE1 H 1 2.000 0.00 . . . . . . A 24 MET HE1 . 34598 1 237 . 1 . 1 24 24 MET HE2 H 1 2.000 0.00 . . . . . . A 24 MET HE2 . 34598 1 238 . 1 . 1 24 24 MET HE3 H 1 2.000 0.00 . . . . . . A 24 MET HE3 . 34598 1 239 . 1 . 1 24 24 MET CA C 13 54.717 0.00 . . . . . . A 24 MET CA . 34598 1 240 . 1 . 1 24 24 MET CB C 13 35.005 0.00 . . . . . . A 24 MET CB . 34598 1 241 . 1 . 1 24 24 MET CG C 13 32.066 0.00 . . . . . . A 24 MET CG . 34598 1 242 . 1 . 1 24 24 MET CE C 13 16.911 0.00 . . . . . . A 24 MET CE . 34598 1 243 . 1 . 1 24 24 MET N N 15 125.661 0.00 . . . . . . A 24 MET N . 34598 1 244 . 1 . 1 25 25 ASN H H 1 9.365 0.00 . . . . . . A 25 ASN H . 34598 1 245 . 1 . 1 25 25 ASN HA H 1 4.294 0.00 . . . . . . A 25 ASN HA . 34598 1 246 . 1 . 1 25 25 ASN HB2 H 1 2.677 0.00 . . . . . . A 25 ASN HB2 . 34598 1 247 . 1 . 1 25 25 ASN HB3 H 1 3.005 0.00 . . . . . . A 25 ASN HB3 . 34598 1 248 . 1 . 1 25 25 ASN HD21 H 1 7.538 0.00 . . . . . . A 25 ASN HD21 . 34598 1 249 . 1 . 1 25 25 ASN HD22 H 1 6.863 0.00 . . . . . . A 25 ASN HD22 . 34598 1 250 . 1 . 1 25 25 ASN CA C 13 54.177 0.00 . . . . . . A 25 ASN CA . 34598 1 251 . 1 . 1 25 25 ASN CB C 13 37.660 0.00 . . . . . . A 25 ASN CB . 34598 1 252 . 1 . 1 25 25 ASN N N 15 124.312 0.01 . . . . . . A 25 ASN N . 34598 1 253 . 1 . 1 25 25 ASN ND2 N 15 112.381 0.00 . . . . . . A 25 ASN ND2 . 34598 1 254 . 1 . 1 26 26 GLY H H 1 8.758 0.00 . . . . . . A 26 GLY H . 34598 1 255 . 1 . 1 26 26 GLY HA2 H 1 3.557 0.01 . . . . . . A 26 GLY HA2 . 34598 1 256 . 1 . 1 26 26 GLY HA3 H 1 4.032 0.00 . . . . . . A 26 GLY HA3 . 34598 1 257 . 1 . 1 26 26 GLY CA C 13 45.538 0.01 . . . . . . A 26 GLY CA . 34598 1 258 . 1 . 1 26 26 GLY N N 15 104.037 0.00 . . . . . . A 26 GLY N . 34598 1 259 . 1 . 1 27 27 GLN H H 1 7.521 0.00 . . . . . . A 27 GLN H . 34598 1 260 . 1 . 1 27 27 GLN HA H 1 4.630 0.00 . . . . . . A 27 GLN HA . 34598 1 261 . 1 . 1 27 27 GLN HB2 H 1 1.896 0.00 . . . . . . A 27 GLN HB2 . 34598 1 262 . 1 . 1 27 27 GLN HB3 H 1 2.103 0.00 . . . . . . A 27 GLN HB3 . 34598 1 263 . 1 . 1 27 27 GLN HG2 H 1 2.312 0.00 . . . . . . A 27 GLN HG2 . 34598 1 264 . 1 . 1 27 27 GLN HG3 H 1 2.312 0.00 . . . . . . A 27 GLN HG3 . 34598 1 265 . 1 . 1 27 27 GLN HE21 H 1 7.527 0.00 . . . . . . A 27 GLN HE21 . 34598 1 266 . 1 . 1 27 27 GLN HE22 H 1 6.874 0.00 . . . . . . A 27 GLN HE22 . 34598 1 267 . 1 . 1 27 27 GLN CA C 13 53.585 0.00 . . . . . . A 27 GLN CA . 34598 1 268 . 1 . 1 27 27 GLN CB C 13 32.379 0.01 . . . . . . A 27 GLN CB . 34598 1 269 . 1 . 1 27 27 GLN CG C 13 33.715 0.00 . . . . . . A 27 GLN CG . 34598 1 270 . 1 . 1 27 27 GLN N N 15 118.105 0.00 . . . . . . A 27 GLN N . 34598 1 271 . 1 . 1 27 27 GLN NE2 N 15 112.107 0.00 . . . . . . A 27 GLN NE2 . 34598 1 272 . 1 . 1 28 28 TRP H H 1 8.701 0.00 . . . . . . A 28 TRP H . 34598 1 273 . 1 . 1 28 28 TRP HA H 1 5.131 0.00 . . . . . . A 28 TRP HA . 34598 1 274 . 1 . 1 28 28 TRP HB2 H 1 3.005 0.00 . . . . . . A 28 TRP HB2 . 34598 1 275 . 1 . 1 28 28 TRP HB3 H 1 3.005 0.00 . . . . . . A 28 TRP HB3 . 34598 1 276 . 1 . 1 28 28 TRP HD1 H 1 7.187 0.00 . . . . . . A 28 TRP HD1 . 34598 1 277 . 1 . 1 28 28 TRP HE1 H 1 9.945 0.01 . . . . . . A 28 TRP HE1 . 34598 1 278 . 1 . 1 28 28 TRP HE3 H 1 7.314 0.00 . . . . . . A 28 TRP HE3 . 34598 1 279 . 1 . 1 28 28 TRP HZ2 H 1 7.417 0.00 . . . . . . A 28 TRP HZ2 . 34598 1 280 . 1 . 1 28 28 TRP HZ3 H 1 6.997 0.01 . . . . . . A 28 TRP HZ3 . 34598 1 281 . 1 . 1 28 28 TRP HH2 H 1 7.220 0.01 . . . . . . A 28 TRP HH2 . 34598 1 282 . 1 . 1 28 28 TRP CA C 13 57.220 0.00 . . . . . . A 28 TRP CA . 34598 1 283 . 1 . 1 28 28 TRP CB C 13 29.413 0.00 . . . . . . A 28 TRP CB . 34598 1 284 . 1 . 1 28 28 TRP CD1 C 13 127.269 0.00 . . . . . . A 28 TRP CD1 . 34598 1 285 . 1 . 1 28 28 TRP CE3 C 13 119.876 0.00 . . . . . . A 28 TRP CE3 . 34598 1 286 . 1 . 1 28 28 TRP CZ2 C 13 115.068 0.00 . . . . . . A 28 TRP CZ2 . 34598 1 287 . 1 . 1 28 28 TRP CZ3 C 13 121.651 0.00 . . . . . . A 28 TRP CZ3 . 34598 1 288 . 1 . 1 28 28 TRP CH2 C 13 124.712 0.00 . . . . . . A 28 TRP CH2 . 34598 1 289 . 1 . 1 28 28 TRP N N 15 122.815 0.00 . . . . . . A 28 TRP N . 34598 1 290 . 1 . 1 28 28 TRP NE1 N 15 128.819 0.00 . . . . . . A 28 TRP NE1 . 34598 1 291 . 1 . 1 29 29 LYS H H 1 9.443 0.00 . . . . . . A 29 LYS H . 34598 1 292 . 1 . 1 29 29 LYS HA H 1 4.819 0.00 . . . . . . A 29 LYS HA . 34598 1 293 . 1 . 1 29 29 LYS HB2 H 1 1.745 0.00 . . . . . . A 29 LYS HB2 . 34598 1 294 . 1 . 1 29 29 LYS HB3 H 1 1.887 0.00 . . . . . . A 29 LYS HB3 . 34598 1 295 . 1 . 1 29 29 LYS HG2 H 1 1.350 0.00 . . . . . . A 29 LYS HG2 . 34598 1 296 . 1 . 1 29 29 LYS HG3 H 1 1.436 0.01 . . . . . . A 29 LYS HG3 . 34598 1 297 . 1 . 1 29 29 LYS HD2 H 1 1.632 0.00 . . . . . . A 29 LYS HD2 . 34598 1 298 . 1 . 1 29 29 LYS HD3 H 1 1.848 0.00 . . . . . . A 29 LYS HD3 . 34598 1 299 . 1 . 1 29 29 LYS HE2 H 1 2.836 0.00 . . . . . . A 29 LYS HE2 . 34598 1 300 . 1 . 1 29 29 LYS HE3 H 1 3.003 0.00 . . . . . . A 29 LYS HE3 . 34598 1 301 . 1 . 1 29 29 LYS CA C 13 53.107 0.00 . . . . . . A 29 LYS CA . 34598 1 302 . 1 . 1 29 29 LYS CB C 13 36.638 0.01 . . . . . . A 29 LYS CB . 34598 1 303 . 1 . 1 29 29 LYS CG C 13 24.691 0.00 . . . . . . A 29 LYS CG . 34598 1 304 . 1 . 1 29 29 LYS CD C 13 28.540 0.00 . . . . . . A 29 LYS CD . 34598 1 305 . 1 . 1 29 29 LYS CE C 13 42.584 0.00 . . . . . . A 29 LYS CE . 34598 1 306 . 1 . 1 29 29 LYS N N 15 126.142 0.00 . . . . . . A 29 LYS N . 34598 1 307 . 1 . 1 30 30 LEU H H 1 8.051 0.00 . . . . . . A 30 LEU H . 34598 1 308 . 1 . 1 30 30 LEU HA H 1 4.874 0.00 . . . . . . A 30 LEU HA . 34598 1 309 . 1 . 1 30 30 LEU HB2 H 1 1.158 0.00 . . . . . . A 30 LEU HB2 . 34598 1 310 . 1 . 1 30 30 LEU HB3 H 1 1.550 0.00 . . . . . . A 30 LEU HB3 . 34598 1 311 . 1 . 1 30 30 LEU HG H 1 1.227 0.00 . . . . . . A 30 LEU HG . 34598 1 312 . 1 . 1 30 30 LEU HD11 H 1 0.516 0.00 . . . . . . A 30 LEU HD11 . 34598 1 313 . 1 . 1 30 30 LEU HD12 H 1 0.516 0.00 . . . . . . A 30 LEU HD12 . 34598 1 314 . 1 . 1 30 30 LEU HD13 H 1 0.516 0.00 . . . . . . A 30 LEU HD13 . 34598 1 315 . 1 . 1 30 30 LEU HD21 H 1 0.074 0.00 . . . . . . A 30 LEU HD21 . 34598 1 316 . 1 . 1 30 30 LEU HD22 H 1 0.074 0.00 . . . . . . A 30 LEU HD22 . 34598 1 317 . 1 . 1 30 30 LEU HD23 H 1 0.074 0.00 . . . . . . A 30 LEU HD23 . 34598 1 318 . 1 . 1 30 30 LEU CA C 13 54.605 0.00 . . . . . . A 30 LEU CA . 34598 1 319 . 1 . 1 30 30 LEU CB C 13 46.544 0.00 . . . . . . A 30 LEU CB . 34598 1 320 . 1 . 1 30 30 LEU CG C 13 27.419 0.00 . . . . . . A 30 LEU CG . 34598 1 321 . 1 . 1 30 30 LEU CD1 C 13 25.580 0.00 . . . . . . A 30 LEU CD1 . 34598 1 322 . 1 . 1 30 30 LEU CD2 C 13 23.519 0.00 . . . . . . A 30 LEU CD2 . 34598 1 323 . 1 . 1 30 30 LEU N N 15 118.678 0.00 . . . . . . A 30 LEU N . 34598 1 324 . 1 . 1 31 31 GLY H H 1 8.416 0.00 . . . . . . A 31 GLY H . 34598 1 325 . 1 . 1 31 31 GLY HA2 H 1 2.899 0.00 . . . . . . A 31 GLY HA2 . 34598 1 326 . 1 . 1 31 31 GLY HA3 H 1 4.349 0.00 . . . . . . A 31 GLY HA3 . 34598 1 327 . 1 . 1 31 31 GLY CA C 13 44.564 0.00 . . . . . . A 31 GLY CA . 34598 1 328 . 1 . 1 31 31 GLY N N 15 104.555 0.00 . . . . . . A 31 GLY N . 34598 1 329 . 1 . 1 32 32 LYS H H 1 8.706 0.00 . . . . . . A 32 LYS H . 34598 1 330 . 1 . 1 32 32 LYS HA H 1 4.226 0.00 . . . . . . A 32 LYS HA . 34598 1 331 . 1 . 1 32 32 LYS HB2 H 1 1.386 0.00 . . . . . . A 32 LYS HB2 . 34598 1 332 . 1 . 1 32 32 LYS HB3 H 1 1.974 0.00 . . . . . . A 32 LYS HB3 . 34598 1 333 . 1 . 1 32 32 LYS HG2 H 1 0.145 0.00 . . . . . . A 32 LYS HG2 . 34598 1 334 . 1 . 1 32 32 LYS HG3 H 1 0.943 0.00 . . . . . . A 32 LYS HG3 . 34598 1 335 . 1 . 1 32 32 LYS HD2 H 1 1.163 0.00 . . . . . . A 32 LYS HD2 . 34598 1 336 . 1 . 1 32 32 LYS HD3 H 1 1.262 0.01 . . . . . . A 32 LYS HD3 . 34598 1 337 . 1 . 1 32 32 LYS HE2 H 1 2.093 0.00 . . . . . . A 32 LYS HE2 . 34598 1 338 . 1 . 1 32 32 LYS HE3 H 1 2.310 0.00 . . . . . . A 32 LYS HE3 . 34598 1 339 . 1 . 1 32 32 LYS CA C 13 56.320 0.00 . . . . . . A 32 LYS CA . 34598 1 340 . 1 . 1 32 32 LYS CB C 13 36.015 0.00 . . . . . . A 32 LYS CB . 34598 1 341 . 1 . 1 32 32 LYS CG C 13 25.947 0.00 . . . . . . A 32 LYS CG . 34598 1 342 . 1 . 1 32 32 LYS CD C 13 30.428 0.01 . . . . . . A 32 LYS CD . 34598 1 343 . 1 . 1 32 32 LYS CE C 13 41.832 0.00 . . . . . . A 32 LYS CE . 34598 1 344 . 1 . 1 32 32 LYS N N 15 119.359 0.00 . . . . . . A 32 LYS N . 34598 1 345 . 1 . 1 33 33 PHE H H 1 7.156 0.00 . . . . . . A 33 PHE H . 34598 1 346 . 1 . 1 33 33 PHE HA H 1 6.540 0.00 . . . . . . A 33 PHE HA . 34598 1 347 . 1 . 1 33 33 PHE HB2 H 1 2.611 0.00 . . . . . . A 33 PHE HB2 . 34598 1 348 . 1 . 1 33 33 PHE HB3 H 1 3.353 0.00 . . . . . . A 33 PHE HB3 . 34598 1 349 . 1 . 1 33 33 PHE HD1 H 1 7.241 0.00 . . . . . . A 33 PHE HD1 . 34598 1 350 . 1 . 1 33 33 PHE HD2 H 1 7.241 0.00 . . . . . . A 33 PHE HD2 . 34598 1 351 . 1 . 1 33 33 PHE HE1 H 1 7.058 0.00 . . . . . . A 33 PHE HE1 . 34598 1 352 . 1 . 1 33 33 PHE HE2 H 1 7.058 0.00 . . . . . . A 33 PHE HE2 . 34598 1 353 . 1 . 1 33 33 PHE HZ H 1 7.134 0.00 . . . . . . A 33 PHE HZ . 34598 1 354 . 1 . 1 33 33 PHE CA C 13 53.125 0.00 . . . . . . A 33 PHE CA . 34598 1 355 . 1 . 1 33 33 PHE CB C 13 38.822 0.00 . . . . . . A 33 PHE CB . 34598 1 356 . 1 . 1 33 33 PHE N N 15 115.740 0.00 . . . . . . A 33 PHE N . 34598 1 357 . 1 . 1 34 34 GLN H H 1 9.164 0.00 . . . . . . A 34 GLN H . 34598 1 358 . 1 . 1 34 34 GLN HA H 1 4.218 0.00 . . . . . . A 34 GLN HA . 34598 1 359 . 1 . 1 34 34 GLN HB2 H 1 2.054 0.00 . . . . . . A 34 GLN HB2 . 34598 1 360 . 1 . 1 34 34 GLN HB3 H 1 2.105 0.00 . . . . . . A 34 GLN HB3 . 34598 1 361 . 1 . 1 34 34 GLN HG2 H 1 2.311 0.00 . . . . . . A 34 GLN HG2 . 34598 1 362 . 1 . 1 34 34 GLN HG3 H 1 2.549 0.00 . . . . . . A 34 GLN HG3 . 34598 1 363 . 1 . 1 34 34 GLN HE21 H 1 7.566 0.00 . . . . . . A 34 GLN HE21 . 34598 1 364 . 1 . 1 34 34 GLN HE22 H 1 7.265 0.11 . . . . . . A 34 GLN HE22 . 34598 1 365 . 1 . 1 34 34 GLN CB C 13 27.316 0.00 . . . . . . A 34 GLN CB . 34598 1 366 . 1 . 1 34 34 GLN CG C 13 32.689 0.00 . . . . . . A 34 GLN CG . 34598 1 367 . 1 . 1 34 34 GLN N N 15 124.832 0.00 . . . . . . A 34 GLN N . 34598 1 368 . 1 . 1 34 34 GLN NE2 N 15 110.498 0.00 . . . . . . A 34 GLN NE2 . 34598 1 369 . 1 . 1 35 35 ASN H H 1 8.718 0.00 . . . . . . A 35 ASN H . 34598 1 370 . 1 . 1 35 35 ASN HA H 1 4.455 0.00 . . . . . . A 35 ASN HA . 34598 1 371 . 1 . 1 35 35 ASN HB2 H 1 2.800 0.00 . . . . . . A 35 ASN HB2 . 34598 1 372 . 1 . 1 35 35 ASN HB3 H 1 3.040 0.01 . . . . . . A 35 ASN HB3 . 34598 1 373 . 1 . 1 35 35 ASN HD21 H 1 7.944 0.00 . . . . . . A 35 ASN HD21 . 34598 1 374 . 1 . 1 35 35 ASN HD22 H 1 7.857 0.00 . . . . . . A 35 ASN HD22 . 34598 1 375 . 1 . 1 35 35 ASN CA C 13 53.342 0.00 . . . . . . A 35 ASN CA . 34598 1 376 . 1 . 1 35 35 ASN CB C 13 36.752 0.00 . . . . . . A 35 ASN CB . 34598 1 377 . 1 . 1 35 35 ASN N N 15 121.586 0.00 . . . . . . A 35 ASN N . 34598 1 378 . 1 . 1 35 35 ASN ND2 N 15 116.483 0.00 . . . . . . A 35 ASN ND2 . 34598 1 379 . 1 . 1 36 36 GLY H H 1 9.102 0.00 . . . . . . A 36 GLY H . 34598 1 380 . 1 . 1 36 36 GLY HA2 H 1 3.515 0.00 . . . . . . A 36 GLY HA2 . 34598 1 381 . 1 . 1 36 36 GLY HA3 H 1 4.464 0.00 . . . . . . A 36 GLY HA3 . 34598 1 382 . 1 . 1 36 36 GLY CA C 13 45.168 0.01 . . . . . . A 36 GLY CA . 34598 1 383 . 1 . 1 36 36 GLY N N 15 110.743 0.00 . . . . . . A 36 GLY N . 34598 1 384 . 1 . 1 37 37 ALA H H 1 7.146 0.00 . . . . . . A 37 ALA H . 34598 1 385 . 1 . 1 37 37 ALA HA H 1 4.235 0.00 . . . . . . A 37 ALA HA . 34598 1 386 . 1 . 1 37 37 ALA HB1 H 1 1.298 0.00 . . . . . . A 37 ALA HB1 . 34598 1 387 . 1 . 1 37 37 ALA HB2 H 1 1.298 0.00 . . . . . . A 37 ALA HB2 . 34598 1 388 . 1 . 1 37 37 ALA HB3 H 1 1.298 0.00 . . . . . . A 37 ALA HB3 . 34598 1 389 . 1 . 1 37 37 ALA CB C 13 18.085 0.00 . . . . . . A 37 ALA CB . 34598 1 390 . 1 . 1 37 37 ALA N N 15 122.333 0.00 . . . . . . A 37 ALA N . 34598 1 391 . 1 . 1 38 38 ARG H H 1 8.865 0.00 . . . . . . A 38 ARG H . 34598 1 392 . 1 . 1 38 38 ARG HA H 1 4.946 0.00 . . . . . . A 38 ARG HA . 34598 1 393 . 1 . 1 38 38 ARG HB2 H 1 1.810 0.00 . . . . . . A 38 ARG HB2 . 34598 1 394 . 1 . 1 38 38 ARG HB3 H 1 1.889 0.00 . . . . . . A 38 ARG HB3 . 34598 1 395 . 1 . 1 38 38 ARG HG2 H 1 1.793 0.00 . . . . . . A 38 ARG HG2 . 34598 1 396 . 1 . 1 38 38 ARG HG3 H 1 1.911 0.00 . . . . . . A 38 ARG HG3 . 34598 1 397 . 1 . 1 38 38 ARG HD2 H 1 3.240 0.00 . . . . . . A 38 ARG HD2 . 34598 1 398 . 1 . 1 38 38 ARG HD3 H 1 3.355 0.00 . . . . . . A 38 ARG HD3 . 34598 1 399 . 1 . 1 38 38 ARG CA C 13 54.602 0.00 . . . . . . A 38 ARG CA . 34598 1 400 . 1 . 1 38 38 ARG CB C 13 30.093 0.00 . . . . . . A 38 ARG CB . 34598 1 401 . 1 . 1 38 38 ARG CG C 13 26.861 0.01 . . . . . . A 38 ARG CG . 34598 1 402 . 1 . 1 38 38 ARG CD C 13 42.005 0.00 . . . . . . A 38 ARG CD . 34598 1 403 . 1 . 1 38 38 ARG N N 15 119.227 0.00 . . . . . . A 38 ARG N . 34598 1 404 . 1 . 1 39 39 CYS H H 1 8.033 0.00 . . . . . . A 39 CYS H . 34598 1 405 . 1 . 1 39 39 CYS HA H 1 5.007 0.00 . . . . . . A 39 CYS HA . 34598 1 406 . 1 . 1 39 39 CYS HB2 H 1 2.802 0.00 . . . . . . A 39 CYS HB2 . 34598 1 407 . 1 . 1 39 39 CYS HB3 H 1 3.039 0.01 . . . . . . A 39 CYS HB3 . 34598 1 408 . 1 . 1 39 39 CYS CA C 13 53.483 0.00 . . . . . . A 39 CYS CA . 34598 1 409 . 1 . 1 39 39 CYS CB C 13 49.623 0.00 . . . . . . A 39 CYS CB . 34598 1 410 . 1 . 1 39 39 CYS N N 15 116.344 0.00 . . . . . . A 39 CYS N . 34598 1 411 . 1 . 1 40 40 ASP H H 1 7.943 0.00 . . . . . . A 40 ASP H . 34598 1 412 . 1 . 1 40 40 ASP HA H 1 4.682 0.00 . . . . . . A 40 ASP HA . 34598 1 413 . 1 . 1 40 40 ASP HB2 H 1 2.713 0.01 . . . . . . A 40 ASP HB2 . 34598 1 414 . 1 . 1 40 40 ASP HB3 H 1 2.889 0.00 . . . . . . A 40 ASP HB3 . 34598 1 415 . 1 . 1 40 40 ASP CA C 13 54.826 0.00 . . . . . . A 40 ASP CA . 34598 1 416 . 1 . 1 40 40 ASP CB C 13 40.254 0.01 . . . . . . A 40 ASP CB . 34598 1 417 . 1 . 1 40 40 ASP N N 15 122.055 0.00 . . . . . . A 40 ASP N . 34598 1 418 . 1 . 1 41 41 TYR H H 1 9.341 0.00 . . . . . . A 41 TYR H . 34598 1 419 . 1 . 1 41 41 TYR HA H 1 4.481 0.00 . . . . . . A 41 TYR HA . 34598 1 420 . 1 . 1 41 41 TYR HB2 H 1 2.653 0.00 . . . . . . A 41 TYR HB2 . 34598 1 421 . 1 . 1 41 41 TYR HB3 H 1 3.056 0.00 . . . . . . A 41 TYR HB3 . 34598 1 422 . 1 . 1 41 41 TYR HD1 H 1 6.838 0.00 . . . . . . A 41 TYR HD1 . 34598 1 423 . 1 . 1 41 41 TYR HD2 H 1 6.838 0.00 . . . . . . A 41 TYR HD2 . 34598 1 424 . 1 . 1 41 41 TYR HE1 H 1 6.836 0.00 . . . . . . A 41 TYR HE1 . 34598 1 425 . 1 . 1 41 41 TYR HE2 H 1 6.836 0.00 . . . . . . A 41 TYR HE2 . 34598 1 426 . 1 . 1 41 41 TYR CA C 13 59.760 0.00 . . . . . . A 41 TYR CA . 34598 1 427 . 1 . 1 41 41 TYR CB C 13 38.484 0.00 . . . . . . A 41 TYR CB . 34598 1 428 . 1 . 1 41 41 TYR CD1 C 13 133.003 0.00 . . . . . . A 41 TYR CD1 . 34598 1 429 . 1 . 1 41 41 TYR CD2 C 13 133.003 0.00 . . . . . . A 41 TYR CD2 . 34598 1 430 . 1 . 1 41 41 TYR CE1 C 13 118.665 0.00 . . . . . . A 41 TYR CE1 . 34598 1 431 . 1 . 1 41 41 TYR CE2 C 13 118.665 0.00 . . . . . . A 41 TYR CE2 . 34598 1 432 . 1 . 1 41 41 TYR N N 15 129.654 0.01 . . . . . . A 41 TYR N . 34598 1 433 . 1 . 1 42 42 ASN HA H 1 4.840 0.00 . . . . . . A 42 ASN HA . 34598 1 434 . 1 . 1 42 42 ASN HB2 H 1 2.644 0.00 . . . . . . A 42 ASN HB2 . 34598 1 435 . 1 . 1 42 42 ASN HD21 H 1 7.580 0.00 . . . . . . A 42 ASN HD21 . 34598 1 436 . 1 . 1 42 42 ASN HD22 H 1 6.900 0.00 . . . . . . A 42 ASN HD22 . 34598 1 437 . 1 . 1 42 42 ASN CA C 13 53.099 0.00 . . . . . . A 42 ASN CA . 34598 1 438 . 1 . 1 42 42 ASN ND2 N 15 112.071 0.01 . . . . . . A 42 ASN ND2 . 34598 1 439 . 1 . 1 43 43 ALA H H 1 8.696 0.00 . . . . . . A 43 ALA H . 34598 1 440 . 1 . 1 43 43 ALA HA H 1 4.449 0.00 . . . . . . A 43 ALA HA . 34598 1 441 . 1 . 1 43 43 ALA HB1 H 1 1.344 0.00 . . . . . . A 43 ALA HB1 . 34598 1 442 . 1 . 1 43 43 ALA HB2 H 1 1.344 0.00 . . . . . . A 43 ALA HB2 . 34598 1 443 . 1 . 1 43 43 ALA HB3 H 1 1.344 0.00 . . . . . . A 43 ALA HB3 . 34598 1 444 . 1 . 1 43 43 ALA CA C 13 52.065 0.00 . . . . . . A 43 ALA CA . 34598 1 445 . 1 . 1 43 43 ALA CB C 13 18.696 0.00 . . . . . . A 43 ALA CB . 34598 1 446 . 1 . 1 43 43 ALA N N 15 127.736 0.00 . . . . . . A 43 ALA N . 34598 1 447 . 1 . 1 44 44 VAL H H 1 7.542 0.00 . . . . . . A 44 VAL H . 34598 1 448 . 1 . 1 44 44 VAL HA H 1 4.373 0.00 . . . . . . A 44 VAL HA . 34598 1 449 . 1 . 1 44 44 VAL HB H 1 2.002 0.00 . . . . . . A 44 VAL HB . 34598 1 450 . 1 . 1 44 44 VAL HG11 H 1 0.933 0.01 . . . . . . A 44 VAL HG11 . 34598 1 451 . 1 . 1 44 44 VAL HG12 H 1 0.933 0.01 . . . . . . A 44 VAL HG12 . 34598 1 452 . 1 . 1 44 44 VAL HG13 H 1 0.933 0.01 . . . . . . A 44 VAL HG13 . 34598 1 453 . 1 . 1 44 44 VAL HG21 H 1 0.912 0.00 . . . . . . A 44 VAL HG21 . 34598 1 454 . 1 . 1 44 44 VAL HG22 H 1 0.912 0.00 . . . . . . A 44 VAL HG22 . 34598 1 455 . 1 . 1 44 44 VAL HG23 H 1 0.912 0.00 . . . . . . A 44 VAL HG23 . 34598 1 456 . 1 . 1 44 44 VAL CA C 13 61.495 0.00 . . . . . . A 44 VAL CA . 34598 1 457 . 1 . 1 44 44 VAL CB C 13 32.549 0.00 . . . . . . A 44 VAL CB . 34598 1 458 . 1 . 1 44 44 VAL CG1 C 13 21.248 0.00 . . . . . . A 44 VAL CG1 . 34598 1 459 . 1 . 1 44 44 VAL CG2 C 13 20.740 0.00 . . . . . . A 44 VAL CG2 . 34598 1 460 . 1 . 1 44 44 VAL N N 15 120.125 0.01 . . . . . . A 44 VAL N . 34598 1 461 . 1 . 1 45 45 LYS HA H 1 4.735 0.00 . . . . . . A 45 LYS HA . 34598 1 462 . 1 . 1 45 45 LYS HB3 H 1 1.582 0.00 . . . . . . A 45 LYS HB3 . 34598 1 463 . 1 . 1 45 45 LYS HG2 H 1 1.140 0.00 . . . . . . A 45 LYS HG2 . 34598 1 464 . 1 . 1 45 45 LYS HG3 H 1 1.573 0.00 . . . . . . A 45 LYS HG3 . 34598 1 465 . 1 . 1 45 45 LYS HD2 H 1 1.575 0.00 . . . . . . A 45 LYS HD2 . 34598 1 466 . 1 . 1 45 45 LYS HD3 H 1 1.619 0.00 . . . . . . A 45 LYS HD3 . 34598 1 467 . 1 . 1 45 45 LYS HE2 H 1 2.970 0.00 . . . . . . A 45 LYS HE2 . 34598 1 468 . 1 . 1 45 45 LYS HE3 H 1 2.970 0.00 . . . . . . A 45 LYS HE3 . 34598 1 469 . 1 . 1 45 45 LYS CA C 13 54.476 0.00 . . . . . . A 45 LYS CA . 34598 1 470 . 1 . 1 45 45 LYS CB C 13 33.147 0.00 . . . . . . A 45 LYS CB . 34598 1 471 . 1 . 1 45 45 LYS CG C 13 26.355 0.00 . . . . . . A 45 LYS CG . 34598 1 472 . 1 . 1 45 45 LYS CD C 13 29.448 0.00 . . . . . . A 45 LYS CD . 34598 1 473 . 1 . 1 45 45 LYS CE C 13 42.482 0.00 . . . . . . A 45 LYS CE . 34598 1 474 . 1 . 1 46 46 ASP H H 1 9.572 0.00 . . . . . . A 46 ASP H . 34598 1 475 . 1 . 1 46 46 ASP HA H 1 4.665 0.00 . . . . . . A 46 ASP HA . 34598 1 476 . 1 . 1 46 46 ASP HB2 H 1 2.586 0.00 . . . . . . A 46 ASP HB2 . 34598 1 477 . 1 . 1 46 46 ASP HB3 H 1 2.869 0.00 . . . . . . A 46 ASP HB3 . 34598 1 478 . 1 . 1 46 46 ASP CA C 13 54.546 0.00 . . . . . . A 46 ASP CA . 34598 1 479 . 1 . 1 46 46 ASP CB C 13 41.031 0.00 . . . . . . A 46 ASP CB . 34598 1 480 . 1 . 1 47 47 GLY H H 1 9.109 0.00 . . . . . . A 47 GLY H . 34598 1 481 . 1 . 1 47 47 GLY HA2 H 1 3.607 0.00 . . . . . . A 47 GLY HA2 . 34598 1 482 . 1 . 1 47 47 GLY HA3 H 1 4.795 0.00 . . . . . . A 47 GLY HA3 . 34598 1 483 . 1 . 1 47 47 GLY CA C 13 44.669 0.02 . . . . . . A 47 GLY CA . 34598 1 484 . 1 . 1 47 47 GLY N N 15 110.728 0.00 . . . . . . A 47 GLY N . 34598 1 485 . 1 . 1 48 48 VAL H H 1 9.174 0.00 . . . . . . A 48 VAL H . 34598 1 486 . 1 . 1 48 48 VAL HA H 1 4.992 0.00 . . . . . . A 48 VAL HA . 34598 1 487 . 1 . 1 48 48 VAL HB H 1 1.771 0.00 . . . . . . A 48 VAL HB . 34598 1 488 . 1 . 1 48 48 VAL HG11 H 1 0.868 0.00 . . . . . . A 48 VAL HG11 . 34598 1 489 . 1 . 1 48 48 VAL HG12 H 1 0.868 0.00 . . . . . . A 48 VAL HG12 . 34598 1 490 . 1 . 1 48 48 VAL HG13 H 1 0.868 0.00 . . . . . . A 48 VAL HG13 . 34598 1 491 . 1 . 1 48 48 VAL HG21 H 1 0.842 0.00 . . . . . . A 48 VAL HG21 . 34598 1 492 . 1 . 1 48 48 VAL HG22 H 1 0.842 0.00 . . . . . . A 48 VAL HG22 . 34598 1 493 . 1 . 1 48 48 VAL HG23 H 1 0.842 0.00 . . . . . . A 48 VAL HG23 . 34598 1 494 . 1 . 1 48 48 VAL CA C 13 60.047 0.00 . . . . . . A 48 VAL CA . 34598 1 495 . 1 . 1 48 48 VAL CB C 13 36.215 0.00 . . . . . . A 48 VAL CB . 34598 1 496 . 1 . 1 48 48 VAL CG1 C 13 21.491 0.00 . . . . . . A 48 VAL CG1 . 34598 1 497 . 1 . 1 48 48 VAL CG2 C 13 20.703 0.00 . . . . . . A 48 VAL CG2 . 34598 1 498 . 1 . 1 48 48 VAL N N 15 117.587 0.00 . . . . . . A 48 VAL N . 34598 1 499 . 1 . 1 49 49 CYS H H 1 9.354 0.00 . . . . . . A 49 CYS H . 34598 1 500 . 1 . 1 49 49 CYS HA H 1 5.439 0.00 . . . . . . A 49 CYS HA . 34598 1 501 . 1 . 1 49 49 CYS HB2 H 1 2.762 0.00 . . . . . . A 49 CYS HB2 . 34598 1 502 . 1 . 1 49 49 CYS HB3 H 1 3.337 0.01 . . . . . . A 49 CYS HB3 . 34598 1 503 . 1 . 1 49 49 CYS CA C 13 53.780 0.00 . . . . . . A 49 CYS CA . 34598 1 504 . 1 . 1 49 49 CYS CB C 13 37.336 0.00 . . . . . . A 49 CYS CB . 34598 1 505 . 1 . 1 49 49 CYS N N 15 123.877 0.00 . . . . . . A 49 CYS N . 34598 1 506 . 1 . 1 50 50 ASN H H 1 9.935 0.00 . . . . . . A 50 ASN H . 34598 1 507 . 1 . 1 50 50 ASN HA H 1 4.716 0.00 . . . . . . A 50 ASN HA . 34598 1 508 . 1 . 1 50 50 ASN HB2 H 1 2.495 0.00 . . . . . . A 50 ASN HB2 . 34598 1 509 . 1 . 1 50 50 ASN HB3 H 1 2.826 0.00 . . . . . . A 50 ASN HB3 . 34598 1 510 . 1 . 1 50 50 ASN HD21 H 1 6.973 0.00 . . . . . . A 50 ASN HD21 . 34598 1 511 . 1 . 1 50 50 ASN HD22 H 1 6.718 0.00 . . . . . . A 50 ASN HD22 . 34598 1 512 . 1 . 1 50 50 ASN CB C 13 41.294 0.00 . . . . . . A 50 ASN CB . 34598 1 513 . 1 . 1 50 50 ASN N N 15 122.816 0.00 . . . . . . A 50 ASN N . 34598 1 514 . 1 . 1 50 50 ASN ND2 N 15 110.665 0.00 . . . . . . A 50 ASN ND2 . 34598 1 515 . 1 . 1 51 51 GLU H H 1 9.244 0.00 . . . . . . A 51 GLU H . 34598 1 516 . 1 . 1 51 51 GLU HA H 1 4.044 0.00 . . . . . . A 51 GLU HA . 34598 1 517 . 1 . 1 51 51 GLU HB2 H 1 1.796 0.00 . . . . . . A 51 GLU HB2 . 34598 1 518 . 1 . 1 51 51 GLU HB3 H 1 1.888 0.00 . . . . . . A 51 GLU HB3 . 34598 1 519 . 1 . 1 51 51 GLU HG3 H 1 2.461 0.00 . . . . . . A 51 GLU HG3 . 34598 1 520 . 1 . 1 51 51 GLU CA C 13 55.412 0.00 . . . . . . A 51 GLU CA . 34598 1 521 . 1 . 1 51 51 GLU CB C 13 26.754 0.00 . . . . . . A 51 GLU CB . 34598 1 522 . 1 . 1 51 51 GLU CG C 13 33.846 0.00 . . . . . . A 51 GLU CG . 34598 1 523 . 1 . 1 51 51 GLU N N 15 123.404 0.00 . . . . . . A 51 GLU N . 34598 1 524 . 1 . 1 52 52 GLY H H 1 8.860 0.00 . . . . . . A 52 GLY H . 34598 1 525 . 1 . 1 52 52 GLY HA2 H 1 3.474 0.00 . . . . . . A 52 GLY HA2 . 34598 1 526 . 1 . 1 52 52 GLY HA3 H 1 3.691 0.00 . . . . . . A 52 GLY HA3 . 34598 1 527 . 1 . 1 52 52 GLY CA C 13 44.965 0.00 . . . . . . A 52 GLY CA . 34598 1 528 . 1 . 1 52 52 GLY N N 15 102.496 0.00 . . . . . . A 52 GLY N . 34598 1 529 . 1 . 1 53 53 LEU H H 1 7.419 0.00 . . . . . . A 53 LEU H . 34598 1 530 . 1 . 1 53 53 LEU HA H 1 4.684 0.00 . . . . . . A 53 LEU HA . 34598 1 531 . 1 . 1 53 53 LEU HB2 H 1 1.218 0.00 . . . . . . A 53 LEU HB2 . 34598 1 532 . 1 . 1 53 53 LEU HB3 H 1 1.725 0.00 . . . . . . A 53 LEU HB3 . 34598 1 533 . 1 . 1 53 53 LEU HG H 1 1.589 0.00 . . . . . . A 53 LEU HG . 34598 1 534 . 1 . 1 53 53 LEU HD11 H 1 1.009 0.00 . . . . . . A 53 LEU HD11 . 34598 1 535 . 1 . 1 53 53 LEU HD12 H 1 1.009 0.00 . . . . . . A 53 LEU HD12 . 34598 1 536 . 1 . 1 53 53 LEU HD13 H 1 1.009 0.00 . . . . . . A 53 LEU HD13 . 34598 1 537 . 1 . 1 53 53 LEU HD21 H 1 0.950 0.00 . . . . . . A 53 LEU HD21 . 34598 1 538 . 1 . 1 53 53 LEU HD22 H 1 0.950 0.00 . . . . . . A 53 LEU HD22 . 34598 1 539 . 1 . 1 53 53 LEU HD23 H 1 0.950 0.00 . . . . . . A 53 LEU HD23 . 34598 1 540 . 1 . 1 53 53 LEU CA C 13 53.071 0.00 . . . . . . A 53 LEU CA . 34598 1 541 . 1 . 1 53 53 LEU CB C 13 45.634 0.00 . . . . . . A 53 LEU CB . 34598 1 542 . 1 . 1 53 53 LEU CG C 13 27.374 0.00 . . . . . . A 53 LEU CG . 34598 1 543 . 1 . 1 53 53 LEU CD1 C 13 25.184 0.00 . . . . . . A 53 LEU CD1 . 34598 1 544 . 1 . 1 53 53 LEU CD2 C 13 23.704 0.00 . . . . . . A 53 LEU CD2 . 34598 1 545 . 1 . 1 53 53 LEU N N 15 119.743 0.00 . . . . . . A 53 LEU N . 34598 1 546 . 1 . 1 54 54 CYS H H 1 8.611 0.00 . . . . . . A 54 CYS H . 34598 1 547 . 1 . 1 54 54 CYS HA H 1 4.833 0.00 . . . . . . A 54 CYS HA . 34598 1 548 . 1 . 1 54 54 CYS HB2 H 1 2.989 0.00 . . . . . . A 54 CYS HB2 . 34598 1 549 . 1 . 1 54 54 CYS HB3 H 1 3.106 0.00 . . . . . . A 54 CYS HB3 . 34598 1 550 . 1 . 1 54 54 CYS CA C 13 55.564 0.00 . . . . . . A 54 CYS CA . 34598 1 551 . 1 . 1 54 54 CYS CB C 13 40.793 0.00 . . . . . . A 54 CYS CB . 34598 1 552 . 1 . 1 54 54 CYS N N 15 121.449 0.00 . . . . . . A 54 CYS N . 34598 1 553 . 1 . 1 55 55 TYR H H 1 8.729 0.00 . . . . . . A 55 TYR H . 34598 1 554 . 1 . 1 55 55 TYR HA H 1 4.432 0.00 . . . . . . A 55 TYR HA . 34598 1 555 . 1 . 1 55 55 TYR HB2 H 1 2.750 0.00 . . . . . . A 55 TYR HB2 . 34598 1 556 . 1 . 1 55 55 TYR HB3 H 1 2.972 0.00 . . . . . . A 55 TYR HB3 . 34598 1 557 . 1 . 1 55 55 TYR HD1 H 1 7.228 0.00 . . . . . . A 55 TYR HD1 . 34598 1 558 . 1 . 1 55 55 TYR HD2 H 1 7.228 0.00 . . . . . . A 55 TYR HD2 . 34598 1 559 . 1 . 1 55 55 TYR HE1 H 1 7.017 0.00 . . . . . . A 55 TYR HE1 . 34598 1 560 . 1 . 1 55 55 TYR HE2 H 1 7.017 0.00 . . . . . . A 55 TYR HE2 . 34598 1 561 . 1 . 1 55 55 TYR CA C 13 57.013 0.00 . . . . . . A 55 TYR CA . 34598 1 562 . 1 . 1 55 55 TYR CB C 13 41.549 0.00 . . . . . . A 55 TYR CB . 34598 1 563 . 1 . 1 55 55 TYR CD1 C 13 133.638 0.00 . . . . . . A 55 TYR CD1 . 34598 1 564 . 1 . 1 55 55 TYR CD2 C 13 133.638 0.00 . . . . . . A 55 TYR CD2 . 34598 1 565 . 1 . 1 55 55 TYR CE1 C 13 118.447 0.00 . . . . . . A 55 TYR CE1 . 34598 1 566 . 1 . 1 55 55 TYR CE2 C 13 118.447 0.00 . . . . . . A 55 TYR CE2 . 34598 1 567 . 1 . 1 55 55 TYR N N 15 128.745 0.00 . . . . . . A 55 TYR N . 34598 1 568 . 1 . 1 56 56 ALA H H 1 7.643 0.00 . . . . . . A 56 ALA H . 34598 1 569 . 1 . 1 56 56 ALA HA H 1 3.612 0.00 . . . . . . A 56 ALA HA . 34598 1 570 . 1 . 1 56 56 ALA HB1 H 1 1.035 0.00 . . . . . . A 56 ALA HB1 . 34598 1 571 . 1 . 1 56 56 ALA HB2 H 1 1.035 0.00 . . . . . . A 56 ALA HB2 . 34598 1 572 . 1 . 1 56 56 ALA HB3 H 1 1.035 0.00 . . . . . . A 56 ALA HB3 . 34598 1 573 . 1 . 1 56 56 ALA CA C 13 52.759 0.00 . . . . . . A 56 ALA CA . 34598 1 574 . 1 . 1 56 56 ALA CB C 13 18.810 0.00 . . . . . . A 56 ALA CB . 34598 1 575 . 1 . 1 56 56 ALA N N 15 121.801 0.01 . . . . . . A 56 ALA N . 34598 1 576 . 1 . 1 57 57 SER H H 1 8.304 0.00 . . . . . . A 57 SER H . 34598 1 577 . 1 . 1 57 57 SER HA H 1 4.349 0.00 . . . . . . A 57 SER HA . 34598 1 578 . 1 . 1 57 57 SER HB2 H 1 3.844 0.00 . . . . . . A 57 SER HB2 . 34598 1 579 . 1 . 1 57 57 SER HB3 H 1 3.892 0.00 . . . . . . A 57 SER HB3 . 34598 1 580 . 1 . 1 57 57 SER CA C 13 58.559 0.00 . . . . . . A 57 SER CA . 34598 1 581 . 1 . 1 57 57 SER CB C 13 64.232 0.00 . . . . . . A 57 SER CB . 34598 1 582 . 1 . 1 57 57 SER N N 15 114.698 0.00 . . . . . . A 57 SER N . 34598 1 583 . 1 . 1 58 58 GLY H H 1 8.480 0.00 . . . . . . A 58 GLY H . 34598 1 584 . 1 . 1 58 58 GLY HA2 H 1 2.747 0.00 . . . . . . A 58 GLY HA2 . 34598 1 585 . 1 . 1 58 58 GLY HA3 H 1 2.990 0.00 . . . . . . A 58 GLY HA3 . 34598 1 586 . 1 . 1 58 58 GLY N N 15 110.823 0.00 . . . . . . A 58 GLY N . 34598 1 587 . 1 . 1 59 59 ASP H H 1 8.169 0.00 . . . . . . A 59 ASP H . 34598 1 588 . 1 . 1 59 59 ASP HA H 1 4.643 0.00 . . . . . . A 59 ASP HA . 34598 1 589 . 1 . 1 59 59 ASP HB2 H 1 2.647 0.00 . . . . . . A 59 ASP HB2 . 34598 1 590 . 1 . 1 59 59 ASP HB3 H 1 2.713 0.00 . . . . . . A 59 ASP HB3 . 34598 1 591 . 1 . 1 59 59 ASP CA C 13 54.419 0.00 . . . . . . A 59 ASP CA . 34598 1 592 . 1 . 1 59 59 ASP CB C 13 41.425 0.00 . . . . . . A 59 ASP CB . 34598 1 593 . 1 . 1 59 59 ASP N N 15 120.466 0.00 . . . . . . A 59 ASP N . 34598 1 594 . 1 . 1 60 60 SER H H 1 8.291 0.00 . . . . . . A 60 SER H . 34598 1 595 . 1 . 1 60 60 SER HA H 1 4.385 0.00 . . . . . . A 60 SER HA . 34598 1 596 . 1 . 1 60 60 SER HB2 H 1 3.902 0.00 . . . . . . A 60 SER HB2 . 34598 1 597 . 1 . 1 60 60 SER HB3 H 1 3.902 0.00 . . . . . . A 60 SER HB3 . 34598 1 598 . 1 . 1 60 60 SER CA C 13 58.946 0.00 . . . . . . A 60 SER CA . 34598 1 599 . 1 . 1 60 60 SER CB C 13 63.750 0.00 . . . . . . A 60 SER CB . 34598 1 600 . 1 . 1 60 60 SER N N 15 116.703 0.00 . . . . . . A 60 SER N . 34598 1 601 . 1 . 1 61 61 ALA H H 1 8.295 0.00 . . . . . . A 61 ALA H . 34598 1 602 . 1 . 1 61 61 ALA HA H 1 4.297 0.00 . . . . . . A 61 ALA HA . 34598 1 603 . 1 . 1 61 61 ALA HB1 H 1 1.374 0.00 . . . . . . A 61 ALA HB1 . 34598 1 604 . 1 . 1 61 61 ALA HB2 H 1 1.374 0.00 . . . . . . A 61 ALA HB2 . 34598 1 605 . 1 . 1 61 61 ALA HB3 H 1 1.374 0.00 . . . . . . A 61 ALA HB3 . 34598 1 606 . 1 . 1 61 61 ALA CA C 13 52.953 0.00 . . . . . . A 61 ALA CA . 34598 1 607 . 1 . 1 61 61 ALA CB C 13 19.059 0.00 . . . . . . A 61 ALA CB . 34598 1 608 . 1 . 1 61 61 ALA N N 15 125.434 0.00 . . . . . . A 61 ALA N . 34598 1 609 . 1 . 1 62 62 SER H H 1 8.107 0.00 . . . . . . A 62 SER H . 34598 1 610 . 1 . 1 62 62 SER HA H 1 4.385 0.00 . . . . . . A 62 SER HA . 34598 1 611 . 1 . 1 62 62 SER HB2 H 1 3.861 0.00 . . . . . . A 62 SER HB2 . 34598 1 612 . 1 . 1 62 62 SER HB3 H 1 3.861 0.00 . . . . . . A 62 SER HB3 . 34598 1 613 . 1 . 1 62 62 SER CA C 13 58.702 0.00 . . . . . . A 62 SER CA . 34598 1 614 . 1 . 1 62 62 SER CB C 13 63.758 0.00 . . . . . . A 62 SER CB . 34598 1 615 . 1 . 1 62 62 SER N N 15 113.956 0.00 . . . . . . A 62 SER N . 34598 1 616 . 1 . 1 63 63 ASN H H 1 8.291 0.00 . . . . . . A 63 ASN H . 34598 1 617 . 1 . 1 63 63 ASN HA H 1 4.795 0.00 . . . . . . A 63 ASN HA . 34598 1 618 . 1 . 1 63 63 ASN HB2 H 1 2.808 0.00 . . . . . . A 63 ASN HB2 . 34598 1 619 . 1 . 1 63 63 ASN HB3 H 1 2.880 0.00 . . . . . . A 63 ASN HB3 . 34598 1 620 . 1 . 1 63 63 ASN HD21 H 1 7.562 0.00 . . . . . . A 63 ASN HD21 . 34598 1 621 . 1 . 1 63 63 ASN HD22 H 1 6.885 0.00 . . . . . . A 63 ASN HD22 . 34598 1 622 . 1 . 1 63 63 ASN CA C 13 53.486 0.00 . . . . . . A 63 ASN CA . 34598 1 623 . 1 . 1 63 63 ASN CB C 13 38.826 0.00 . . . . . . A 63 ASN CB . 34598 1 624 . 1 . 1 63 63 ASN N N 15 120.517 0.01 . . . . . . A 63 ASN N . 34598 1 625 . 1 . 1 63 63 ASN ND2 N 15 112.384 0.01 . . . . . . A 63 ASN ND2 . 34598 1 626 . 1 . 1 64 64 THR H H 1 8.081 0.00 . . . . . . A 64 THR H . 34598 1 627 . 1 . 1 64 64 THR HA H 1 4.303 0.00 . . . . . . A 64 THR HA . 34598 1 628 . 1 . 1 64 64 THR HB H 1 4.268 0.00 . . . . . . A 64 THR HB . 34598 1 629 . 1 . 1 64 64 THR HG21 H 1 1.194 0.00 . . . . . . A 64 THR HG21 . 34598 1 630 . 1 . 1 64 64 THR HG22 H 1 1.194 0.00 . . . . . . A 64 THR HG22 . 34598 1 631 . 1 . 1 64 64 THR HG23 H 1 1.194 0.00 . . . . . . A 64 THR HG23 . 34598 1 632 . 1 . 1 64 64 THR CA C 13 62.327 0.00 . . . . . . A 64 THR CA . 34598 1 633 . 1 . 1 64 64 THR CB C 13 69.600 0.00 . . . . . . A 64 THR CB . 34598 1 634 . 1 . 1 64 64 THR CG2 C 13 21.668 0.00 . . . . . . A 64 THR CG2 . 34598 1 635 . 1 . 1 64 64 THR N N 15 113.655 0.01 . . . . . . A 64 THR N . 34598 1 636 . 1 . 1 65 65 GLN H H 1 8.336 0.00 . . . . . . A 65 GLN H . 34598 1 637 . 1 . 1 65 65 GLN HA H 1 4.328 0.00 . . . . . . A 65 GLN HA . 34598 1 638 . 1 . 1 65 65 GLN HB2 H 1 2.002 0.00 . . . . . . A 65 GLN HB2 . 34598 1 639 . 1 . 1 65 65 GLN HB3 H 1 2.112 0.00 . . . . . . A 65 GLN HB3 . 34598 1 640 . 1 . 1 65 65 GLN HG2 H 1 2.358 0.00 . . . . . . A 65 GLN HG2 . 34598 1 641 . 1 . 1 65 65 GLN HG3 H 1 2.358 0.00 . . . . . . A 65 GLN HG3 . 34598 1 642 . 1 . 1 65 65 GLN HE21 H 1 7.463 0.00 . . . . . . A 65 GLN HE21 . 34598 1 643 . 1 . 1 65 65 GLN HE22 H 1 6.825 0.00 . . . . . . A 65 GLN HE22 . 34598 1 644 . 1 . 1 65 65 GLN CA C 13 56.233 0.00 . . . . . . A 65 GLN CA . 34598 1 645 . 1 . 1 65 65 GLN CB C 13 29.246 0.00 . . . . . . A 65 GLN CB . 34598 1 646 . 1 . 1 65 65 GLN N N 15 121.847 0.00 . . . . . . A 65 GLN N . 34598 1 647 . 1 . 1 65 65 GLN NE2 N 15 112.103 0.01 . . . . . . A 65 GLN NE2 . 34598 1 648 . 1 . 1 66 66 ASN H H 1 8.389 0.00 . . . . . . A 66 ASN H . 34598 1 649 . 1 . 1 66 66 ASN HB2 H 1 2.763 0.00 . . . . . . A 66 ASN HB2 . 34598 1 650 . 1 . 1 66 66 ASN HB3 H 1 2.839 0.00 . . . . . . A 66 ASN HB3 . 34598 1 651 . 1 . 1 66 66 ASN HD21 H 1 7.579 0.00 . . . . . . A 66 ASN HD21 . 34598 1 652 . 1 . 1 66 66 ASN HD22 H 1 6.906 0.00 . . . . . . A 66 ASN HD22 . 34598 1 653 . 1 . 1 66 66 ASN CB C 13 38.806 0.00 . . . . . . A 66 ASN CB . 34598 1 654 . 1 . 1 66 66 ASN N N 15 119.252 0.00 . . . . . . A 66 ASN N . 34598 1 655 . 1 . 1 66 66 ASN ND2 N 15 112.729 0.01 . . . . . . A 66 ASN ND2 . 34598 1 656 . 1 . 1 67 67 GLN H H 1 8.379 0.00 . . . . . . A 67 GLN H . 34598 1 657 . 1 . 1 67 67 GLN HA H 1 4.346 0.00 . . . . . . A 67 GLN HA . 34598 1 658 . 1 . 1 67 67 GLN HB2 H 1 1.983 0.00 . . . . . . A 67 GLN HB2 . 34598 1 659 . 1 . 1 67 67 GLN HB3 H 1 2.163 0.00 . . . . . . A 67 GLN HB3 . 34598 1 660 . 1 . 1 67 67 GLN HG2 H 1 2.366 0.00 . . . . . . A 67 GLN HG2 . 34598 1 661 . 1 . 1 67 67 GLN HG3 H 1 2.366 0.00 . . . . . . A 67 GLN HG3 . 34598 1 662 . 1 . 1 67 67 GLN HE21 H 1 7.463 0.00 . . . . . . A 67 GLN HE21 . 34598 1 663 . 1 . 1 67 67 GLN HE22 H 1 6.825 0.00 . . . . . . A 67 GLN HE22 . 34598 1 664 . 1 . 1 67 67 GLN CA C 13 56.211 0.00 . . . . . . A 67 GLN CA . 34598 1 665 . 1 . 1 67 67 GLN CB C 13 29.273 0.00 . . . . . . A 67 GLN CB . 34598 1 666 . 1 . 1 67 67 GLN CG C 13 33.812 0.00 . . . . . . A 67 GLN CG . 34598 1 667 . 1 . 1 67 67 GLN N N 15 120.639 0.01 . . . . . . A 67 GLN N . 34598 1 668 . 1 . 1 67 67 GLN NE2 N 15 112.103 0.01 . . . . . . A 67 GLN NE2 . 34598 1 669 . 1 . 1 68 68 GLY H H 1 8.458 0.02 . . . . . . A 68 GLY H . 34598 1 670 . 1 . 1 68 68 GLY HA2 H 1 3.978 0.01 . . . . . . A 68 GLY HA2 . 34598 1 671 . 1 . 1 68 68 GLY HA3 H 1 3.978 0.01 . . . . . . A 68 GLY HA3 . 34598 1 672 . 1 . 1 68 68 GLY CA C 13 45.523 0.00 . . . . . . A 68 GLY CA . 34598 1 673 . 1 . 1 68 68 GLY N N 15 109.665 0.00 . . . . . . A 68 GLY N . 34598 1 674 . 1 . 1 69 69 GLY H H 1 8.242 0.00 . . . . . . A 69 GLY H . 34598 1 675 . 1 . 1 69 69 GLY HA2 H 1 3.992 0.00 . . . . . . A 69 GLY HA2 . 34598 1 676 . 1 . 1 69 69 GLY HA3 H 1 3.992 0.00 . . . . . . A 69 GLY HA3 . 34598 1 677 . 1 . 1 69 69 GLY CA C 13 45.304 0.00 . . . . . . A 69 GLY CA . 34598 1 678 . 1 . 1 69 69 GLY N N 15 108.731 0.00 . . . . . . A 69 GLY N . 34598 1 679 . 1 . 1 70 70 SER H H 1 8.229 0.00 . . . . . . A 70 SER H . 34598 1 680 . 1 . 1 70 70 SER HA H 1 4.453 0.00 . . . . . . A 70 SER HA . 34598 1 681 . 1 . 1 70 70 SER HB2 H 1 3.865 0.01 . . . . . . A 70 SER HB2 . 34598 1 682 . 1 . 1 70 70 SER HB3 H 1 3.865 0.01 . . . . . . A 70 SER HB3 . 34598 1 683 . 1 . 1 70 70 SER CA C 13 58.394 0.00 . . . . . . A 70 SER CA . 34598 1 684 . 1 . 1 70 70 SER CB C 13 63.960 0.00 . . . . . . A 70 SER CB . 34598 1 685 . 1 . 1 70 70 SER N N 15 115.618 0.00 . . . . . . A 70 SER N . 34598 1 686 . 1 . 1 71 71 ARG H H 1 8.360 0.00 . . . . . . A 71 ARG H . 34598 1 687 . 1 . 1 71 71 ARG HA H 1 4.359 0.00 . . . . . . A 71 ARG HA . 34598 1 688 . 1 . 1 71 71 ARG HB2 H 1 1.744 0.00 . . . . . . A 71 ARG HB2 . 34598 1 689 . 1 . 1 71 71 ARG HB3 H 1 1.840 0.00 . . . . . . A 71 ARG HB3 . 34598 1 690 . 1 . 1 71 71 ARG HG2 H 1 1.609 0.00 . . . . . . A 71 ARG HG2 . 34598 1 691 . 1 . 1 71 71 ARG HG3 H 1 1.609 0.00 . . . . . . A 71 ARG HG3 . 34598 1 692 . 1 . 1 71 71 ARG HD2 H 1 3.178 0.00 . . . . . . A 71 ARG HD2 . 34598 1 693 . 1 . 1 71 71 ARG HD3 H 1 3.178 0.00 . . . . . . A 71 ARG HD3 . 34598 1 694 . 1 . 1 71 71 ARG CA C 13 56.063 0.00 . . . . . . A 71 ARG CA . 34598 1 695 . 1 . 1 71 71 ARG CB C 13 30.845 0.00 . . . . . . A 71 ARG CB . 34598 1 696 . 1 . 1 71 71 ARG CG C 13 27.082 0.00 . . . . . . A 71 ARG CG . 34598 1 697 . 1 . 1 71 71 ARG CD C 13 43.362 0.00 . . . . . . A 71 ARG CD . 34598 1 698 . 1 . 1 71 71 ARG N N 15 122.883 0.01 . . . . . . A 71 ARG N . 34598 1 699 . 1 . 1 72 72 ARG H H 1 8.386 0.00 . . . . . . A 72 ARG H . 34598 1 700 . 1 . 1 72 72 ARG HA H 1 4.317 0.00 . . . . . . A 72 ARG HA . 34598 1 701 . 1 . 1 72 72 ARG HB2 H 1 1.742 0.00 . . . . . . A 72 ARG HB2 . 34598 1 702 . 1 . 1 72 72 ARG HB3 H 1 1.841 0.00 . . . . . . A 72 ARG HB3 . 34598 1 703 . 1 . 1 72 72 ARG HG2 H 1 1.602 0.00 . . . . . . A 72 ARG HG2 . 34598 1 704 . 1 . 1 72 72 ARG HG3 H 1 1.602 0.00 . . . . . . A 72 ARG HG3 . 34598 1 705 . 1 . 1 72 72 ARG HD2 H 1 3.167 0.00 . . . . . . A 72 ARG HD2 . 34598 1 706 . 1 . 1 72 72 ARG HD3 H 1 3.167 0.00 . . . . . . A 72 ARG HD3 . 34598 1 707 . 1 . 1 72 72 ARG CA C 13 56.258 0.00 . . . . . . A 72 ARG CA . 34598 1 708 . 1 . 1 72 72 ARG CB C 13 30.848 0.00 . . . . . . A 72 ARG CB . 34598 1 709 . 1 . 1 72 72 ARG CG C 13 27.090 0.00 . . . . . . A 72 ARG CG . 34598 1 710 . 1 . 1 72 72 ARG CD C 13 43.354 0.00 . . . . . . A 72 ARG CD . 34598 1 711 . 1 . 1 72 72 ARG N N 15 122.922 0.00 . . . . . . A 72 ARG N . 34598 1 712 . 1 . 1 73 73 GLN H H 1 8.541 0.00 . . . . . . A 73 GLN H . 34598 1 713 . 1 . 1 73 73 GLN HA H 1 4.312 0.00 . . . . . . A 73 GLN HA . 34598 1 714 . 1 . 1 73 73 GLN HB2 H 1 1.984 0.00 . . . . . . A 73 GLN HB2 . 34598 1 715 . 1 . 1 73 73 GLN HB3 H 1 2.114 0.00 . . . . . . A 73 GLN HB3 . 34598 1 716 . 1 . 1 73 73 GLN HG2 H 1 2.359 0.00 . . . . . . A 73 GLN HG2 . 34598 1 717 . 1 . 1 73 73 GLN HG3 H 1 2.359 0.00 . . . . . . A 73 GLN HG3 . 34598 1 718 . 1 . 1 73 73 GLN HE21 H 1 7.549 0.00 . . . . . . A 73 GLN HE21 . 34598 1 719 . 1 . 1 73 73 GLN HE22 H 1 6.834 0.00 . . . . . . A 73 GLN HE22 . 34598 1 720 . 1 . 1 73 73 GLN CA C 13 55.993 0.00 . . . . . . A 73 GLN CA . 34598 1 721 . 1 . 1 73 73 GLN CB C 13 29.511 0.01 . . . . . . A 73 GLN CB . 34598 1 722 . 1 . 1 73 73 GLN CG C 13 33.890 0.00 . . . . . . A 73 GLN CG . 34598 1 723 . 1 . 1 73 73 GLN N N 15 122.167 0.00 . . . . . . A 73 GLN N . 34598 1 724 . 1 . 1 73 73 GLN NE2 N 15 112.298 0.00 . . . . . . A 73 GLN NE2 . 34598 1 725 . 1 . 1 74 74 GLU H H 1 8.566 0.00 . . . . . . A 74 GLU H . 34598 1 726 . 1 . 1 74 74 GLU HA H 1 4.250 0.00 . . . . . . A 74 GLU HA . 34598 1 727 . 1 . 1 74 74 GLU HB2 H 1 1.931 0.00 . . . . . . A 74 GLU HB2 . 34598 1 728 . 1 . 1 74 74 GLU HB3 H 1 2.050 0.00 . . . . . . A 74 GLU HB3 . 34598 1 729 . 1 . 1 74 74 GLU HG2 H 1 2.262 0.00 . . . . . . A 74 GLU HG2 . 34598 1 730 . 1 . 1 74 74 GLU HG3 H 1 2.262 0.00 . . . . . . A 74 GLU HG3 . 34598 1 731 . 1 . 1 74 74 GLU CA C 13 57.098 0.00 . . . . . . A 74 GLU CA . 34598 1 732 . 1 . 1 74 74 GLU CB C 13 30.130 0.00 . . . . . . A 74 GLU CB . 34598 1 733 . 1 . 1 74 74 GLU CG C 13 36.212 0.00 . . . . . . A 74 GLU CG . 34598 1 734 . 1 . 1 74 74 GLU N N 15 121.773 0.00 . . . . . . A 74 GLU N . 34598 1 735 . 1 . 1 75 75 ASN H H 1 8.399 0.00 . . . . . . A 75 ASN H . 34598 1 736 . 1 . 1 75 75 ASN HA H 1 4.690 0.01 . . . . . . A 75 ASN HA . 34598 1 737 . 1 . 1 75 75 ASN HB2 H 1 2.771 0.00 . . . . . . A 75 ASN HB2 . 34598 1 738 . 1 . 1 75 75 ASN HB3 H 1 2.840 0.00 . . . . . . A 75 ASN HB3 . 34598 1 739 . 1 . 1 75 75 ASN HD21 H 1 7.593 0.00 . . . . . . A 75 ASN HD21 . 34598 1 740 . 1 . 1 75 75 ASN HD22 H 1 6.900 0.00 . . . . . . A 75 ASN HD22 . 34598 1 741 . 1 . 1 75 75 ASN CA C 13 53.436 0.00 . . . . . . A 75 ASN CA . 34598 1 742 . 1 . 1 75 75 ASN CB C 13 38.987 0.00 . . . . . . A 75 ASN CB . 34598 1 743 . 1 . 1 75 75 ASN N N 15 118.171 0.01 . . . . . . A 75 ASN N . 34598 1 744 . 1 . 1 75 75 ASN ND2 N 15 112.845 0.00 . . . . . . A 75 ASN ND2 . 34598 1 745 . 1 . 1 76 76 GLU H H 1 8.332 0.00 . . . . . . A 76 GLU H . 34598 1 746 . 1 . 1 76 76 GLU HA H 1 4.269 0.00 . . . . . . A 76 GLU HA . 34598 1 747 . 1 . 1 76 76 GLU HB2 H 1 1.934 0.00 . . . . . . A 76 GLU HB2 . 34598 1 748 . 1 . 1 76 76 GLU HB3 H 1 2.067 0.00 . . . . . . A 76 GLU HB3 . 34598 1 749 . 1 . 1 76 76 GLU HG2 H 1 2.245 0.00 . . . . . . A 76 GLU HG2 . 34598 1 750 . 1 . 1 76 76 GLU HG3 H 1 2.245 0.00 . . . . . . A 76 GLU HG3 . 34598 1 751 . 1 . 1 76 76 GLU CA C 13 56.884 0.00 . . . . . . A 76 GLU CA . 34598 1 752 . 1 . 1 76 76 GLU CB C 13 30.329 0.01 . . . . . . A 76 GLU CB . 34598 1 753 . 1 . 1 76 76 GLU CG C 13 36.285 0.00 . . . . . . A 76 GLU CG . 34598 1 754 . 1 . 1 76 76 GLU N N 15 120.831 0.00 . . . . . . A 76 GLU N . 34598 1 755 . 1 . 1 77 77 ASP H H 1 8.348 0.00 . . . . . . A 77 ASP H . 34598 1 756 . 1 . 1 77 77 ASP HA H 1 4.591 0.00 . . . . . . A 77 ASP HA . 34598 1 757 . 1 . 1 77 77 ASP HB2 H 1 2.634 0.00 . . . . . . A 77 ASP HB2 . 34598 1 758 . 1 . 1 77 77 ASP HB3 H 1 2.717 0.00 . . . . . . A 77 ASP HB3 . 34598 1 759 . 1 . 1 77 77 ASP CA C 13 54.499 0.00 . . . . . . A 77 ASP CA . 34598 1 760 . 1 . 1 77 77 ASP CB C 13 41.202 0.01 . . . . . . A 77 ASP CB . 34598 1 761 . 1 . 1 77 77 ASP N N 15 120.919 0.00 . . . . . . A 77 ASP N . 34598 1 762 . 1 . 1 78 78 GLN H H 1 8.304 0.00 . . . . . . A 78 GLN H . 34598 1 763 . 1 . 1 78 78 GLN HA H 1 4.325 0.00 . . . . . . A 78 GLN HA . 34598 1 764 . 1 . 1 78 78 GLN HB2 H 1 1.972 0.00 . . . . . . A 78 GLN HB2 . 34598 1 765 . 1 . 1 78 78 GLN HB3 H 1 2.159 0.00 . . . . . . A 78 GLN HB3 . 34598 1 766 . 1 . 1 78 78 GLN HG2 H 1 2.349 0.00 . . . . . . A 78 GLN HG2 . 34598 1 767 . 1 . 1 78 78 GLN HG3 H 1 2.349 0.00 . . . . . . A 78 GLN HG3 . 34598 1 768 . 1 . 1 78 78 GLN HE21 H 1 7.507 0.00 . . . . . . A 78 GLN HE21 . 34598 1 769 . 1 . 1 78 78 GLN HE22 H 1 6.784 0.00 . . . . . . A 78 GLN HE22 . 34598 1 770 . 1 . 1 78 78 GLN CA C 13 55.954 0.00 . . . . . . A 78 GLN CA . 34598 1 771 . 1 . 1 78 78 GLN CB C 13 29.565 0.00 . . . . . . A 78 GLN CB . 34598 1 772 . 1 . 1 78 78 GLN CG C 13 33.854 0.00 . . . . . . A 78 GLN CG . 34598 1 773 . 1 . 1 78 78 GLN N N 15 120.577 0.00 . . . . . . A 78 GLN N . 34598 1 774 . 1 . 1 78 78 GLN NE2 N 15 112.435 0.00 . . . . . . A 78 GLN NE2 . 34598 1 775 . 1 . 1 79 79 GLY H H 1 8.425 0.00 . . . . . . A 79 GLY H . 34598 1 776 . 1 . 1 79 79 GLY HA2 H 1 3.939 0.00 . . . . . . A 79 GLY HA2 . 34598 1 777 . 1 . 1 79 79 GLY HA3 H 1 3.982 0.00 . . . . . . A 79 GLY HA3 . 34598 1 778 . 1 . 1 79 79 GLY CA C 13 45.436 0.07 . . . . . . A 79 GLY CA . 34598 1 779 . 1 . 1 79 79 GLY N N 15 109.823 0.00 . . . . . . A 79 GLY N . 34598 1 780 . 1 . 1 80 80 ASP H H 1 8.254 0.00 . . . . . . A 80 ASP H . 34598 1 781 . 1 . 1 80 80 ASP HA H 1 4.619 0.00 . . . . . . A 80 ASP HA . 34598 1 782 . 1 . 1 80 80 ASP HB2 H 1 2.603 0.00 . . . . . . A 80 ASP HB2 . 34598 1 783 . 1 . 1 80 80 ASP HB3 H 1 2.684 0.00 . . . . . . A 80 ASP HB3 . 34598 1 784 . 1 . 1 80 80 ASP CA C 13 54.376 0.00 . . . . . . A 80 ASP CA . 34598 1 785 . 1 . 1 80 80 ASP CB C 13 41.454 0.01 . . . . . . A 80 ASP CB . 34598 1 786 . 1 . 1 80 80 ASP N N 15 120.413 0.00 . . . . . . A 80 ASP N . 34598 1 787 . 1 . 1 81 81 ASP H H 1 8.363 0.00 . . . . . . A 81 ASP H . 34598 1 788 . 1 . 1 81 81 ASP HA H 1 4.540 0.00 . . . . . . A 81 ASP HA . 34598 1 789 . 1 . 1 81 81 ASP HB2 H 1 2.557 0.00 . . . . . . A 81 ASP HB2 . 34598 1 790 . 1 . 1 81 81 ASP HB3 H 1 2.557 0.00 . . . . . . A 81 ASP HB3 . 34598 1 791 . 1 . 1 81 81 ASP CA C 13 54.560 0.00 . . . . . . A 81 ASP CA . 34598 1 792 . 1 . 1 81 81 ASP CB C 13 41.244 0.00 . . . . . . A 81 ASP CB . 34598 1 793 . 1 . 1 81 81 ASP N N 15 120.532 0.01 . . . . . . A 81 ASP N . 34598 1 794 . 1 . 1 82 82 GLU H H 1 8.311 0.00 . . . . . . A 82 GLU H . 34598 1 795 . 1 . 1 82 82 GLU HA H 1 4.152 0.00 . . . . . . A 82 GLU HA . 34598 1 796 . 1 . 1 82 82 GLU HB2 H 1 1.849 0.00 . . . . . . A 82 GLU HB2 . 34598 1 797 . 1 . 1 82 82 GLU HB3 H 1 1.921 0.00 . . . . . . A 82 GLU HB3 . 34598 1 798 . 1 . 1 82 82 GLU HG2 H 1 2.045 0.00 . . . . . . A 82 GLU HG2 . 34598 1 799 . 1 . 1 82 82 GLU HG3 H 1 2.111 0.00 . . . . . . A 82 GLU HG3 . 34598 1 800 . 1 . 1 82 82 GLU CA C 13 57.072 0.00 . . . . . . A 82 GLU CA . 34598 1 801 . 1 . 1 82 82 GLU CB C 13 29.879 0.00 . . . . . . A 82 GLU CB . 34598 1 802 . 1 . 1 82 82 GLU CG C 13 36.049 0.01 . . . . . . A 82 GLU CG . 34598 1 803 . 1 . 1 82 82 GLU N N 15 120.518 0.00 . . . . . . A 82 GLU N . 34598 1 804 . 1 . 1 83 83 TRP H H 1 7.917 0.00 . . . . . . A 83 TRP H . 34598 1 805 . 1 . 1 83 83 TRP HA H 1 4.588 0.01 . . . . . . A 83 TRP HA . 34598 1 806 . 1 . 1 83 83 TRP HB2 H 1 3.272 0.00 . . . . . . A 83 TRP HB2 . 34598 1 807 . 1 . 1 83 83 TRP HB3 H 1 3.334 0.00 . . . . . . A 83 TRP HB3 . 34598 1 808 . 1 . 1 83 83 TRP HD1 H 1 7.299 0.00 . . . . . . A 83 TRP HD1 . 34598 1 809 . 1 . 1 83 83 TRP HE1 H 1 10.113 0.00 . . . . . . A 83 TRP HE1 . 34598 1 810 . 1 . 1 83 83 TRP HE3 H 1 7.625 0.00 . . . . . . A 83 TRP HE3 . 34598 1 811 . 1 . 1 83 83 TRP HZ2 H 1 7.479 0.00 . . . . . . A 83 TRP HZ2 . 34598 1 812 . 1 . 1 83 83 TRP HZ3 H 1 7.147 0.00 . . . . . . A 83 TRP HZ3 . 34598 1 813 . 1 . 1 83 83 TRP HH2 H 1 7.211 0.00 . . . . . . A 83 TRP HH2 . 34598 1 814 . 1 . 1 83 83 TRP CA C 13 57.574 0.00 . . . . . . A 83 TRP CA . 34598 1 815 . 1 . 1 83 83 TRP CB C 13 29.296 0.00 . . . . . . A 83 TRP CB . 34598 1 816 . 1 . 1 83 83 TRP CD1 C 13 127.396 0.00 . . . . . . A 83 TRP CD1 . 34598 1 817 . 1 . 1 83 83 TRP CE3 C 13 120.917 0.00 . . . . . . A 83 TRP CE3 . 34598 1 818 . 1 . 1 83 83 TRP CZ2 C 13 114.741 0.00 . . . . . . A 83 TRP CZ2 . 34598 1 819 . 1 . 1 83 83 TRP CZ3 C 13 122.095 0.00 . . . . . . A 83 TRP CZ3 . 34598 1 820 . 1 . 1 83 83 TRP CH2 C 13 124.712 0.00 . . . . . . A 83 TRP CH2 . 34598 1 821 . 1 . 1 83 83 TRP N N 15 120.443 0.00 . . . . . . A 83 TRP N . 34598 1 822 . 1 . 1 83 83 TRP NE1 N 15 129.466 0.00 . . . . . . A 83 TRP NE1 . 34598 1 823 . 1 . 1 84 84 ASP H H 1 8.054 0.00 . . . . . . A 84 ASP H . 34598 1 824 . 1 . 1 84 84 ASP HA H 1 4.505 0.01 . . . . . . A 84 ASP HA . 34598 1 825 . 1 . 1 84 84 ASP HB2 H 1 2.349 0.00 . . . . . . A 84 ASP HB2 . 34598 1 826 . 1 . 1 84 84 ASP HB3 H 1 2.425 0.01 . . . . . . A 84 ASP HB3 . 34598 1 827 . 1 . 1 84 84 ASP CA C 13 54.182 0.00 . . . . . . A 84 ASP CA . 34598 1 828 . 1 . 1 84 84 ASP CB C 13 40.600 0.00 . . . . . . A 84 ASP CB . 34598 1 829 . 1 . 1 84 84 ASP N N 15 120.862 0.00 . . . . . . A 84 ASP N . 34598 1 830 . 1 . 1 85 85 ARG H H 1 7.766 0.01 . . . . . . A 85 ARG H . 34598 1 831 . 1 . 1 85 85 ARG HA H 1 4.225 0.01 . . . . . . A 85 ARG HA . 34598 1 832 . 1 . 1 85 85 ARG HB2 H 1 1.700 0.00 . . . . . . A 85 ARG HB2 . 34598 1 833 . 1 . 1 85 85 ARG HB3 H 1 1.843 0.00 . . . . . . A 85 ARG HB3 . 34598 1 834 . 1 . 1 85 85 ARG HG2 H 1 1.540 0.00 . . . . . . A 85 ARG HG2 . 34598 1 835 . 1 . 1 85 85 ARG HG3 H 1 1.540 0.00 . . . . . . A 85 ARG HG3 . 34598 1 836 . 1 . 1 85 85 ARG HD2 H 1 3.096 0.00 . . . . . . A 85 ARG HD2 . 34598 1 837 . 1 . 1 85 85 ARG HD3 H 1 3.131 0.01 . . . . . . A 85 ARG HD3 . 34598 1 838 . 1 . 1 85 85 ARG HE H 1 7.178 0.00 . . . . . . A 85 ARG HE . 34598 1 839 . 1 . 1 85 85 ARG CA C 13 56.100 0.00 . . . . . . A 85 ARG CA . 34598 1 840 . 1 . 1 85 85 ARG CB C 13 30.535 0.00 . . . . . . A 85 ARG CB . 34598 1 841 . 1 . 1 85 85 ARG CG C 13 27.044 0.00 . . . . . . A 85 ARG CG . 34598 1 842 . 1 . 1 85 85 ARG CD C 13 43.417 0.00 . . . . . . A 85 ARG CD . 34598 1 843 . 1 . 1 85 85 ARG N N 15 120.928 0.00 . . . . . . A 85 ARG N . 34598 1 844 . 1 . 1 85 85 ARG NE N 15 85.109 0.01 . . . . . . A 85 ARG NE . 34598 1 845 . 1 . 1 86 86 LYS H H 1 7.856 0.00 . . . . . . A 86 LYS H . 34598 1 846 . 1 . 1 86 86 LYS HA H 1 4.148 0.01 . . . . . . A 86 LYS HA . 34598 1 847 . 1 . 1 86 86 LYS HB2 H 1 1.703 0.00 . . . . . . A 86 LYS HB2 . 34598 1 848 . 1 . 1 86 86 LYS HB3 H 1 1.820 0.00 . . . . . . A 86 LYS HB3 . 34598 1 849 . 1 . 1 86 86 LYS HG2 H 1 1.367 0.00 . . . . . . A 86 LYS HG2 . 34598 1 850 . 1 . 1 86 86 LYS HG3 H 1 1.367 0.00 . . . . . . A 86 LYS HG3 . 34598 1 851 . 1 . 1 86 86 LYS HD2 H 1 1.624 0.00 . . . . . . A 86 LYS HD2 . 34598 1 852 . 1 . 1 86 86 LYS HD3 H 1 1.624 0.00 . . . . . . A 86 LYS HD3 . 34598 1 853 . 1 . 1 86 86 LYS HE2 H 1 2.943 0.00 . . . . . . A 86 LYS HE2 . 34598 1 854 . 1 . 1 86 86 LYS HE3 H 1 2.943 0.00 . . . . . . A 86 LYS HE3 . 34598 1 855 . 1 . 1 86 86 LYS CA C 13 57.631 0.00 . . . . . . A 86 LYS CA . 34598 1 856 . 1 . 1 86 86 LYS CB C 13 33.645 0.01 . . . . . . A 86 LYS CB . 34598 1 857 . 1 . 1 86 86 LYS CG C 13 24.770 0.00 . . . . . . A 86 LYS CG . 34598 1 858 . 1 . 1 86 86 LYS CD C 13 29.045 0.00 . . . . . . A 86 LYS CD . 34598 1 859 . 1 . 1 86 86 LYS CE C 13 42.299 0.00 . . . . . . A 86 LYS CE . 34598 1 860 . 1 . 1 86 86 LYS N N 15 127.841 0.00 . . . . . . A 86 LYS N . 34598 1 stop_ save_