data_34449 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34449 _Entry.Title ; Solution Structure of the DNA-binding TubR fragment from Clostridium Botulinum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-12 _Entry.Accession_date 2019-11-12 _Entry.Last_release_date 2020-07-14 _Entry.Original_release_date 2020-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 P. Valverde P. . . . 34449 2 F. Canada F. J. . . 34449 3 J. Jimenez-Barbero J. . . . 34449 4 M. Oliva M. A. . . 34449 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34449 'DNA segregation' . 34449 TubR . 34449 'partition systems' . 34449 'winged helix-turn-helix' . 34449 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34449 spectral_peak_list 1 34449 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 34449 '15N chemical shifts' 77 34449 '1H chemical shifts' 613 34449 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 . . 2020-11-12 . original BMRB . 34449 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TEY 'BMRB Entry Tracking System' 34449 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34449 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of TubR protein fragment from Clostridium Botulinum's phage c-st ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 P. Valverde P. . . . 34449 1 2 F. Canada F. J. . . 34449 1 3 J. Jimenez-Barbero J. . . . 34449 1 4 M. Oliva M. A. . . 34449 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34449 _Assembly.ID 1 _Assembly.Name 'DNA-binding protein TubR' _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 . . . . . . 34449 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34449 _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 ; MAVNKNEYKILIMLKENQCT TELKSFTYTKLCNISKLSMS TVRRSIKKFLELQYVKEGCK QGISKTFYITPNGIEKLKSI M ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9434.286 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CBP common 34449 1 'Centromere-binding protein' common 34449 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34449 1 2 . ALA . 34449 1 3 . VAL . 34449 1 4 . ASN . 34449 1 5 . LYS . 34449 1 6 . ASN . 34449 1 7 . GLU . 34449 1 8 . TYR . 34449 1 9 . LYS . 34449 1 10 . ILE . 34449 1 11 . LEU . 34449 1 12 . ILE . 34449 1 13 . MET . 34449 1 14 . LEU . 34449 1 15 . LYS . 34449 1 16 . GLU . 34449 1 17 . ASN . 34449 1 18 . GLN . 34449 1 19 . CYS . 34449 1 20 . THR . 34449 1 21 . THR . 34449 1 22 . GLU . 34449 1 23 . LEU . 34449 1 24 . LYS . 34449 1 25 . SER . 34449 1 26 . PHE . 34449 1 27 . THR . 34449 1 28 . TYR . 34449 1 29 . THR . 34449 1 30 . LYS . 34449 1 31 . LEU . 34449 1 32 . CYS . 34449 1 33 . ASN . 34449 1 34 . ILE . 34449 1 35 . SER . 34449 1 36 . LYS . 34449 1 37 . LEU . 34449 1 38 . SER . 34449 1 39 . MET . 34449 1 40 . SER . 34449 1 41 . THR . 34449 1 42 . VAL . 34449 1 43 . ARG . 34449 1 44 . ARG . 34449 1 45 . SER . 34449 1 46 . ILE . 34449 1 47 . LYS . 34449 1 48 . LYS . 34449 1 49 . PHE . 34449 1 50 . LEU . 34449 1 51 . GLU . 34449 1 52 . LEU . 34449 1 53 . GLN . 34449 1 54 . TYR . 34449 1 55 . VAL . 34449 1 56 . LYS . 34449 1 57 . GLU . 34449 1 58 . GLY . 34449 1 59 . CYS . 34449 1 60 . LYS . 34449 1 61 . GLN . 34449 1 62 . GLY . 34449 1 63 . ILE . 34449 1 64 . SER . 34449 1 65 . LYS . 34449 1 66 . THR . 34449 1 67 . PHE . 34449 1 68 . TYR . 34449 1 69 . ILE . 34449 1 70 . THR . 34449 1 71 . PRO . 34449 1 72 . ASN . 34449 1 73 . GLY . 34449 1 74 . ILE . 34449 1 75 . GLU . 34449 1 76 . LYS . 34449 1 77 . LEU . 34449 1 78 . LYS . 34449 1 79 . SER . 34449 1 80 . ILE . 34449 1 81 . MET . 34449 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 34449 1 . ALA 2 2 34449 1 . VAL 3 3 34449 1 . ASN 4 4 34449 1 . LYS 5 5 34449 1 . ASN 6 6 34449 1 . GLU 7 7 34449 1 . TYR 8 8 34449 1 . LYS 9 9 34449 1 . ILE 10 10 34449 1 . LEU 11 11 34449 1 . ILE 12 12 34449 1 . MET 13 13 34449 1 . LEU 14 14 34449 1 . LYS 15 15 34449 1 . GLU 16 16 34449 1 . ASN 17 17 34449 1 . GLN 18 18 34449 1 . CYS 19 19 34449 1 . THR 20 20 34449 1 . THR 21 21 34449 1 . GLU 22 22 34449 1 . LEU 23 23 34449 1 . LYS 24 24 34449 1 . SER 25 25 34449 1 . PHE 26 26 34449 1 . THR 27 27 34449 1 . TYR 28 28 34449 1 . THR 29 29 34449 1 . LYS 30 30 34449 1 . LEU 31 31 34449 1 . CYS 32 32 34449 1 . ASN 33 33 34449 1 . ILE 34 34 34449 1 . SER 35 35 34449 1 . LYS 36 36 34449 1 . LEU 37 37 34449 1 . SER 38 38 34449 1 . MET 39 39 34449 1 . SER 40 40 34449 1 . THR 41 41 34449 1 . VAL 42 42 34449 1 . ARG 43 43 34449 1 . ARG 44 44 34449 1 . SER 45 45 34449 1 . ILE 46 46 34449 1 . LYS 47 47 34449 1 . LYS 48 48 34449 1 . PHE 49 49 34449 1 . LEU 50 50 34449 1 . GLU 51 51 34449 1 . LEU 52 52 34449 1 . GLN 53 53 34449 1 . TYR 54 54 34449 1 . VAL 55 55 34449 1 . LYS 56 56 34449 1 . GLU 57 57 34449 1 . GLY 58 58 34449 1 . CYS 59 59 34449 1 . LYS 60 60 34449 1 . GLN 61 61 34449 1 . GLY 62 62 34449 1 . ILE 63 63 34449 1 . SER 64 64 34449 1 . LYS 65 65 34449 1 . THR 66 66 34449 1 . PHE 67 67 34449 1 . TYR 68 68 34449 1 . ILE 69 69 34449 1 . THR 70 70 34449 1 . PRO 71 71 34449 1 . ASN 72 72 34449 1 . GLY 73 73 34449 1 . ILE 74 74 34449 1 . GLU 75 75 34449 1 . LYS 76 76 34449 1 . LEU 77 77 34449 1 . LYS 78 78 34449 1 . SER 79 79 34449 1 . ILE 80 80 34449 1 . MET 81 81 34449 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 34449 _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 . 12336 organism . 'Clostridium botulinum C phage' 'Clostridium phage c-st' . . Viruses . . 'Clostridium phage c-st' . . . . . . . . . . . 'tubR, CST190' . 34449 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 34449 _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 . . . . . . . . . . 34449 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34449 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '225 uM [U-15N] TubR, 25 mM potassium phosphate, 50 mM potassium chloride, 2 mM D-10 DTT, 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 TubR [U-15N] . . 1 $entity_1 . . 225 . . uM 1 . . . 34449 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM 0.1 . . . 34449 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 34449 1 4 DTT D-10 . . . . . . 2 . . mM 0.1 . . . 34449 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 34449 _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' 80.13 . mM 34449 1 pH 6.4 0.1 pH 34449 1 pressure 1 0.05 atm 34449 1 temperature 298 0.1 K 34449 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34449 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34449 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34449 1 . processing 34449 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34449 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34449 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34449 2 . 'data analysis' 34449 2 . 'peak picking' 34449 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34449 _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' . . 34449 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34449 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34449 _Software.ID 4 _Software.Type . _Software.Name MolProbity _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Richardson . . 34449 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 34449 4 . refinement 34449 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34449 _Software.ID 5 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34449 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34449 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 34449 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details crioprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34449 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'PATXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34449 _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 . 600 . . . 34449 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 34449 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 34449 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34449 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34449 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34449 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34449 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34449 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34449 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34449 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34449 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34449 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34449 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34449 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34449 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34449 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34449 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 34449 _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 TSP 'methyl protons' . . . . ppm -0.025 internal indirect 0.2514495379 . . . . . 34449 1 H 1 TSP 'methyl protons' . . . . ppm -0.098 internal direct 1.0 . . . . . 34449 1 N 15 TSP 'methyl protons' . . . . ppm -0.010 internal indirect 0.1013291439 . . . . . 34449 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 34449 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 HNCO' . . . 34449 1 2 '3D HN(CO)CA' . . . 34449 1 3 '3D HNCA' . . . 34449 1 4 '3D CBCA(CO)NH' . . . 34449 1 5 '3D HNCACB' . . . 34449 1 6 '3D H(CCO)NH' . . . 34449 1 7 '2D 1H-1H NOESY' . . . 34449 1 8 '2D 1H-13C HSQC' . . . 34449 1 9 '2D 1H-15N HSQC' . . . 34449 1 10 '2D 1H-13C HSQC aromatic' . . . 34449 1 11 '3D C(CO)NH' . . . 34449 1 12 '3D HCCH-TOCSY' . . . 34449 1 13 '3D HCCH-TOCSY' . . . 34449 1 14 '3D 1H-15N NOESY' . . . 34449 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 3 3 VAL HA H 1 4.150 0.020 . 1 . . . . A 3 VAL HA . 34449 1 2 . 1 . 1 3 3 VAL HB H 1 2.020 0.020 . 1 . . . . A 3 VAL HB . 34449 1 3 . 1 . 1 3 3 VAL HG11 H 1 0.920 0.020 . 2 . . . . A 3 VAL HG11 . 34449 1 4 . 1 . 1 3 3 VAL HG12 H 1 0.920 0.020 . 2 . . . . A 3 VAL HG12 . 34449 1 5 . 1 . 1 3 3 VAL HG13 H 1 0.920 0.020 . 2 . . . . A 3 VAL HG13 . 34449 1 6 . 1 . 1 3 3 VAL HG21 H 1 0.830 0.020 . 2 . . . . A 3 VAL HG21 . 34449 1 7 . 1 . 1 3 3 VAL HG22 H 1 0.830 0.020 . 2 . . . . A 3 VAL HG22 . 34449 1 8 . 1 . 1 3 3 VAL HG23 H 1 0.830 0.020 . 2 . . . . A 3 VAL HG23 . 34449 1 9 . 1 . 1 3 3 VAL C C 13 175.884 0.300 . 1 . . . . A 3 VAL C . 34449 1 10 . 1 . 1 3 3 VAL CA C 13 62.700 0.300 . 1 . . . . A 3 VAL CA . 34449 1 11 . 1 . 1 3 3 VAL CB C 13 33.530 0.300 . 1 . . . . A 3 VAL CB . 34449 1 12 . 1 . 1 3 3 VAL CG1 C 13 21.484 0.300 . 1 . . . . A 3 VAL CG1 . 34449 1 13 . 1 . 1 3 3 VAL CG2 C 13 21.648 0.300 . 1 . . . . A 3 VAL CG2 . 34449 1 14 . 1 . 1 4 4 ASN H H 1 8.870 0.020 . 1 . . . . A 4 ASN H . 34449 1 15 . 1 . 1 4 4 ASN HA H 1 4.807 0.020 . 1 . . . . A 4 ASN HA . 34449 1 16 . 1 . 1 4 4 ASN HB2 H 1 2.938 0.020 . 1 . . . . A 4 ASN HB2 . 34449 1 17 . 1 . 1 4 4 ASN HB3 H 1 2.938 0.020 . 1 . . . . A 4 ASN HB3 . 34449 1 18 . 1 . 1 4 4 ASN HD21 H 1 7.025 0.020 . 1 . . . . A 4 ASN HD21 . 34449 1 19 . 1 . 1 4 4 ASN HD22 H 1 7.699 0.020 . 1 . . . . A 4 ASN HD22 . 34449 1 20 . 1 . 1 4 4 ASN C C 13 176.207 0.3 . 1 . . . . A 4 ASN C . 34449 1 21 . 1 . 1 4 4 ASN CA C 13 52.961 0.3 . 1 . . . . A 4 ASN CA . 34449 1 22 . 1 . 1 4 4 ASN CB C 13 39.252 0.3 . 1 . . . . A 4 ASN CB . 34449 1 23 . 1 . 1 4 4 ASN N N 15 125.318 0.3 . 1 . . . . A 4 ASN N . 34449 1 24 . 1 . 1 5 5 LYS H H 1 8.674 0.020 . 1 . . . . A 5 LYS H . 34449 1 25 . 1 . 1 5 5 LYS HA H 1 4.177 0.020 . 1 . . . . A 5 LYS HA . 34449 1 26 . 1 . 1 5 5 LYS HB2 H 1 1.857 0.020 . 2 . . . . A 5 LYS HB2 . 34449 1 27 . 1 . 1 5 5 LYS HB3 H 1 1.815 0.020 . 2 . . . . A 5 LYS HB3 . 34449 1 28 . 1 . 1 5 5 LYS HG2 H 1 1.450 0.020 . 2 . . . . A 5 LYS HG2 . 34449 1 29 . 1 . 1 5 5 LYS HG3 H 1 1.545 0.020 . 2 . . . . A 5 LYS HG3 . 34449 1 30 . 1 . 1 5 5 LYS HD2 H 1 1.725 0.020 . 1 . . . . A 5 LYS HD2 . 34449 1 31 . 1 . 1 5 5 LYS HD3 H 1 1.725 0.020 . 1 . . . . A 5 LYS HD3 . 34449 1 32 . 1 . 1 5 5 LYS HE2 H 1 3.014 0.020 . 1 . . . . A 5 LYS HE2 . 34449 1 33 . 1 . 1 5 5 LYS HE3 H 1 3.014 0.020 . 1 . . . . A 5 LYS HE3 . 34449 1 34 . 1 . 1 5 5 LYS C C 13 178.516 0.3 . 1 . . . . A 5 LYS C . 34449 1 35 . 1 . 1 5 5 LYS CA C 13 59.143 0.3 . 1 . . . . A 5 LYS CA . 34449 1 36 . 1 . 1 5 5 LYS CB C 13 32.778 0.3 . 1 . . . . A 5 LYS CB . 34449 1 37 . 1 . 1 5 5 LYS CG C 13 25.504 0.3 . 1 . . . . A 5 LYS CG . 34449 1 38 . 1 . 1 5 5 LYS CD C 13 29.599 0.3 . 1 . . . . A 5 LYS CD . 34449 1 39 . 1 . 1 5 5 LYS CE C 13 42.372 0.3 . 1 . . . . A 5 LYS CE . 34449 1 40 . 1 . 1 5 5 LYS N N 15 123.273 0.3 . 1 . . . . A 5 LYS N . 34449 1 41 . 1 . 1 6 6 ASN H H 1 8.515 0.020 . 1 . . . . A 6 ASN H . 34449 1 42 . 1 . 1 6 6 ASN HA H 1 4.558 0.020 . 1 . . . . A 6 ASN HA . 34449 1 43 . 1 . 1 6 6 ASN HB2 H 1 2.744 0.020 . 2 . . . . A 6 ASN HB2 . 34449 1 44 . 1 . 1 6 6 ASN HB3 H 1 2.904 0.020 . 2 . . . . A 6 ASN HB3 . 34449 1 45 . 1 . 1 6 6 ASN HD21 H 1 7.672 0.020 . 1 . . . . A 6 ASN HD21 . 34449 1 46 . 1 . 1 6 6 ASN HD22 H 1 8.364 0.020 . 1 . . . . A 6 ASN HD22 . 34449 1 47 . 1 . 1 6 6 ASN C C 13 177.200 0.3 . 1 . . . . A 6 ASN C . 34449 1 48 . 1 . 1 6 6 ASN CA C 13 55.744 0.3 . 1 . . . . A 6 ASN CA . 34449 1 49 . 1 . 1 6 6 ASN CB C 13 38.415 0.3 . 1 . . . . A 6 ASN CB . 34449 1 50 . 1 . 1 6 6 ASN N N 15 118.715 0.3 . 1 . . . . A 6 ASN N . 34449 1 51 . 1 . 1 7 7 GLU H H 1 8.222 0.020 . 1 . . . . A 7 GLU H . 34449 1 52 . 1 . 1 7 7 GLU HA H 1 4.051 0.020 . 1 . . . . A 7 GLU HA . 34449 1 53 . 1 . 1 7 7 GLU HB2 H 1 1.835 0.020 . 1 . . . . A 7 GLU HB2 . 34449 1 54 . 1 . 1 7 7 GLU HB3 H 1 1.835 0.020 . 1 . . . . A 7 GLU HB3 . 34449 1 55 . 1 . 1 7 7 GLU HG2 H 1 2.050 0.020 . 2 . . . . A 7 GLU HG2 . 34449 1 56 . 1 . 1 7 7 GLU HG3 H 1 2.123 0.020 . 2 . . . . A 7 GLU HG3 . 34449 1 57 . 1 . 1 7 7 GLU C C 13 178.864 0.3 . 1 . . . . A 7 GLU C . 34449 1 58 . 1 . 1 7 7 GLU CA C 13 59.271 0.3 . 1 . . . . A 7 GLU CA . 34449 1 59 . 1 . 1 7 7 GLU CB C 13 29.582 0.3 . 1 . . . . A 7 GLU CB . 34449 1 60 . 1 . 1 7 7 GLU CG C 13 36.478 0.3 . 1 . . . . A 7 GLU CG . 34449 1 61 . 1 . 1 7 7 GLU N N 15 120.502 0.3 . 1 . . . . A 7 GLU N . 34449 1 62 . 1 . 1 8 8 TYR H H 1 8.127 0.020 . 1 . . . . A 8 TYR H . 34449 1 63 . 1 . 1 8 8 TYR HA H 1 4.405 0.020 . 1 . . . . A 8 TYR HA . 34449 1 64 . 1 . 1 8 8 TYR HB2 H 1 3.145 0.020 . 2 . . . . A 8 TYR HB2 . 34449 1 65 . 1 . 1 8 8 TYR HB3 H 1 2.863 0.020 . 2 . . . . A 8 TYR HB3 . 34449 1 66 . 1 . 1 8 8 TYR HD1 H 1 7.013 0.020 . 1 . . . . A 8 TYR HD1 . 34449 1 67 . 1 . 1 8 8 TYR HD2 H 1 7.013 0.020 . 1 . . . . A 8 TYR HD2 . 34449 1 68 . 1 . 1 8 8 TYR HE1 H 1 6.760 0.020 . 1 . . . . A 8 TYR HE1 . 34449 1 69 . 1 . 1 8 8 TYR HE2 H 1 6.760 0.020 . 1 . . . . A 8 TYR HE2 . 34449 1 70 . 1 . 1 8 8 TYR C C 13 176.828 0.3 . 1 . . . . A 8 TYR C . 34449 1 71 . 1 . 1 8 8 TYR CA C 13 60.699 0.3 . 1 . . . . A 8 TYR CA . 34449 1 72 . 1 . 1 8 8 TYR CB C 13 38.200 0.3 . 1 . . . . A 8 TYR CB . 34449 1 73 . 1 . 1 8 8 TYR CD1 C 13 133.098 0.3 . 3 . . . . A 8 TYR CD1 . 34449 1 74 . 1 . 1 8 8 TYR CD2 C 13 133.098 0.3 . 3 . . . . A 8 TYR CD2 . 34449 1 75 . 1 . 1 8 8 TYR CE1 C 13 118.573 0.3 . 3 . . . . A 8 TYR CE1 . 34449 1 76 . 1 . 1 8 8 TYR CE2 C 13 118.573 0.3 . 3 . . . . A 8 TYR CE2 . 34449 1 77 . 1 . 1 8 8 TYR N N 15 116.857 0.3 . 1 . . . . A 8 TYR N . 34449 1 78 . 1 . 1 9 9 LYS H H 1 7.826 0.020 . 1 . . . . A 9 LYS H . 34449 1 79 . 1 . 1 9 9 LYS HA H 1 4.015 0.020 . 1 . . . . A 9 LYS HA . 34449 1 80 . 1 . 1 9 9 LYS HB2 H 1 2.185 0.020 . 2 . . . . A 9 LYS HB2 . 34449 1 81 . 1 . 1 9 9 LYS HB3 H 1 1.946 0.020 . 2 . . . . A 9 LYS HB3 . 34449 1 82 . 1 . 1 9 9 LYS HG2 H 1 1.525 0.020 . 2 . . . . A 9 LYS HG2 . 34449 1 83 . 1 . 1 9 9 LYS HG3 H 1 1.610 0.020 . 2 . . . . A 9 LYS HG3 . 34449 1 84 . 1 . 1 9 9 LYS HD2 H 1 1.817 0.020 . 1 . . . . A 9 LYS HD2 . 34449 1 85 . 1 . 1 9 9 LYS HD3 H 1 1.817 0.020 . 1 . . . . A 9 LYS HD3 . 34449 1 86 . 1 . 1 9 9 LYS HE2 H 1 3.069 0.020 . 1 . . . . A 9 LYS HE2 . 34449 1 87 . 1 . 1 9 9 LYS HE3 H 1 3.069 0.020 . 1 . . . . A 9 LYS HE3 . 34449 1 88 . 1 . 1 9 9 LYS C C 13 178.516 0.3 . 1 . . . . A 9 LYS C . 34449 1 89 . 1 . 1 9 9 LYS CA C 13 60.543 0.3 . 1 . . . . A 9 LYS CA . 34449 1 90 . 1 . 1 9 9 LYS CB C 13 33.016 0.3 . 1 . . . . A 9 LYS CB . 34449 1 91 . 1 . 1 9 9 LYS CG C 13 25.687 0.3 . 1 . . . . A 9 LYS CG . 34449 1 92 . 1 . 1 9 9 LYS CD C 13 29.742 0.3 . 1 . . . . A 9 LYS CD . 34449 1 93 . 1 . 1 9 9 LYS CE C 13 42.443 0.3 . 1 . . . . A 9 LYS CE . 34449 1 94 . 1 . 1 9 9 LYS N N 15 122.239 0.3 . 1 . . . . A 9 LYS N . 34449 1 95 . 1 . 1 10 10 ILE H H 1 8.464 0.020 . 1 . . . . A 10 ILE H . 34449 1 96 . 1 . 1 10 10 ILE HA H 1 3.755 0.020 . 1 . . . . A 10 ILE HA . 34449 1 97 . 1 . 1 10 10 ILE HB H 1 2.246 0.020 . 1 . . . . A 10 ILE HB . 34449 1 98 . 1 . 1 10 10 ILE HG12 H 1 1.415 0.020 . 2 . . . . A 10 ILE HG12 . 34449 1 99 . 1 . 1 10 10 ILE HG13 H 1 1.677 0.020 . 2 . . . . A 10 ILE HG13 . 34449 1 100 . 1 . 1 10 10 ILE HG21 H 1 1.016 0.020 . 1 . . . . A 10 ILE HG21 . 34449 1 101 . 1 . 1 10 10 ILE HG22 H 1 1.016 0.020 . 1 . . . . A 10 ILE HG22 . 34449 1 102 . 1 . 1 10 10 ILE HG23 H 1 1.016 0.020 . 1 . . . . A 10 ILE HG23 . 34449 1 103 . 1 . 1 10 10 ILE HD11 H 1 1.008 0.020 . 1 . . . . A 10 ILE HD11 . 34449 1 104 . 1 . 1 10 10 ILE HD12 H 1 1.008 0.020 . 1 . . . . A 10 ILE HD12 . 34449 1 105 . 1 . 1 10 10 ILE HD13 H 1 1.008 0.020 . 1 . . . . A 10 ILE HD13 . 34449 1 106 . 1 . 1 10 10 ILE C C 13 177.498 0.3 . 1 . . . . A 10 ILE C . 34449 1 107 . 1 . 1 10 10 ILE CA C 13 64.808 0.3 . 1 . . . . A 10 ILE CA . 34449 1 108 . 1 . 1 10 10 ILE CB C 13 37.897 0.3 . 1 . . . . A 10 ILE CB . 34449 1 109 . 1 . 1 10 10 ILE CG1 C 13 29.757 0.3 . 1 . . . . A 10 ILE CG1 . 34449 1 110 . 1 . 1 10 10 ILE CG2 C 13 18.329 0.3 . 1 . . . . A 10 ILE CG2 . 34449 1 111 . 1 . 1 10 10 ILE CD1 C 13 14.156 0.3 . 1 . . . . A 10 ILE CD1 . 34449 1 112 . 1 . 1 10 10 ILE N N 15 117.037 0.3 . 1 . . . . A 10 ILE N . 34449 1 113 . 1 . 1 11 11 LEU H H 1 6.924 0.020 . 1 . . . . A 11 LEU H . 34449 1 114 . 1 . 1 11 11 LEU HA H 1 3.894 0.020 . 1 . . . . A 11 LEU HA . 34449 1 115 . 1 . 1 11 11 LEU HB2 H 1 1.808 0.020 . 2 . . . . A 11 LEU HB2 . 34449 1 116 . 1 . 1 11 11 LEU HB3 H 1 1.414 0.020 . 2 . . . . A 11 LEU HB3 . 34449 1 117 . 1 . 1 11 11 LEU HG H 1 1.228 0.020 . 1 . . . . A 11 LEU HG . 34449 1 118 . 1 . 1 11 11 LEU HD11 H 1 0.251 0.020 . 2 . . . . A 11 LEU HD11 . 34449 1 119 . 1 . 1 11 11 LEU HD12 H 1 0.251 0.020 . 2 . . . . A 11 LEU HD12 . 34449 1 120 . 1 . 1 11 11 LEU HD13 H 1 0.251 0.020 . 2 . . . . A 11 LEU HD13 . 34449 1 121 . 1 . 1 11 11 LEU HD21 H 1 0.314 0.020 . 2 . . . . A 11 LEU HD21 . 34449 1 122 . 1 . 1 11 11 LEU HD22 H 1 0.314 0.020 . 2 . . . . A 11 LEU HD22 . 34449 1 123 . 1 . 1 11 11 LEU HD23 H 1 0.314 0.020 . 2 . . . . A 11 LEU HD23 . 34449 1 124 . 1 . 1 11 11 LEU C C 13 178.616 0.3 . 1 . . . . A 11 LEU C . 34449 1 125 . 1 . 1 11 11 LEU CA C 13 57.942 0.3 . 1 . . . . A 11 LEU CA . 34449 1 126 . 1 . 1 11 11 LEU CB C 13 41.574 0.3 . 1 . . . . A 11 LEU CB . 34449 1 127 . 1 . 1 11 11 LEU CG C 13 26.470 0.3 . 1 . . . . A 11 LEU CG . 34449 1 128 . 1 . 1 11 11 LEU CD1 C 13 23.419 0.3 . 1 . . . . A 11 LEU CD1 . 34449 1 129 . 1 . 1 11 11 LEU CD2 C 13 25.551 0.3 . 1 . . . . A 11 LEU CD2 . 34449 1 130 . 1 . 1 11 11 LEU N N 15 117.336 0.3 . 1 . . . . A 11 LEU N . 34449 1 131 . 1 . 1 12 12 ILE H H 1 8.124 0.020 . 1 . . . . A 12 ILE H . 34449 1 132 . 1 . 1 12 12 ILE HA H 1 3.462 0.020 . 1 . . . . A 12 ILE HA . 34449 1 133 . 1 . 1 12 12 ILE HB H 1 1.913 0.020 . 1 . . . . A 12 ILE HB . 34449 1 134 . 1 . 1 12 12 ILE HG12 H 1 1.671 0.020 . 2 . . . . A 12 ILE HG12 . 34449 1 135 . 1 . 1 12 12 ILE HG13 H 1 1.083 0.020 . 2 . . . . A 12 ILE HG13 . 34449 1 136 . 1 . 1 12 12 ILE HG21 H 1 0.917 0.020 . 1 . . . . A 12 ILE HG21 . 34449 1 137 . 1 . 1 12 12 ILE HG22 H 1 0.917 0.020 . 1 . . . . A 12 ILE HG22 . 34449 1 138 . 1 . 1 12 12 ILE HG23 H 1 0.917 0.020 . 1 . . . . A 12 ILE HG23 . 34449 1 139 . 1 . 1 12 12 ILE HD11 H 1 0.843 0.020 . 1 . . . . A 12 ILE HD11 . 34449 1 140 . 1 . 1 12 12 ILE HD12 H 1 0.843 0.020 . 1 . . . . A 12 ILE HD12 . 34449 1 141 . 1 . 1 12 12 ILE HD13 H 1 0.843 0.020 . 1 . . . . A 12 ILE HD13 . 34449 1 142 . 1 . 1 12 12 ILE C C 13 178.467 0.3 . 1 . . . . A 12 ILE C . 34449 1 143 . 1 . 1 12 12 ILE CA C 13 65.863 0.3 . 1 . . . . A 12 ILE CA . 34449 1 144 . 1 . 1 12 12 ILE CB C 13 38.661 0.3 . 1 . . . . A 12 ILE CB . 34449 1 145 . 1 . 1 12 12 ILE CG1 C 13 30.297 0.3 . 1 . . . . A 12 ILE CG1 . 34449 1 146 . 1 . 1 12 12 ILE CG2 C 13 17.426 0.3 . 1 . . . . A 12 ILE CG2 . 34449 1 147 . 1 . 1 12 12 ILE CD1 C 13 13.657 0.3 . 1 . . . . A 12 ILE CD1 . 34449 1 148 . 1 . 1 12 12 ILE N N 15 120.009 0.3 . 1 . . . . A 12 ILE N . 34449 1 149 . 1 . 1 13 13 MET H H 1 8.274 0.020 . 1 . . . . A 13 MET H . 34449 1 150 . 1 . 1 13 13 MET HA H 1 4.331 0.020 . 1 . . . . A 13 MET HA . 34449 1 151 . 1 . 1 13 13 MET HB2 H 1 2.291 0.020 . 2 . . . . A 13 MET HB2 . 34449 1 152 . 1 . 1 13 13 MET HB3 H 1 1.945 0.020 . 2 . . . . A 13 MET HB3 . 34449 1 153 . 1 . 1 13 13 MET HG2 H 1 2.759 0.020 . 1 . . . . A 13 MET HG2 . 34449 1 154 . 1 . 1 13 13 MET HG3 H 1 2.759 0.020 . 1 . . . . A 13 MET HG3 . 34449 1 155 . 1 . 1 13 13 MET C C 13 180.279 0.3 . 1 . . . . A 13 MET C . 34449 1 156 . 1 . 1 13 13 MET CA C 13 59.096 0.3 . 1 . . . . A 13 MET CA . 34449 1 157 . 1 . 1 13 13 MET CB C 13 33.631 0.3 . 1 . . . . A 13 MET CB . 34449 1 158 . 1 . 1 13 13 MET CG C 13 33.038 0.3 . 1 . . . . A 13 MET CG . 34449 1 159 . 1 . 1 13 13 MET N N 15 117.562 0.3 . 1 . . . . A 13 MET N . 34449 1 160 . 1 . 1 14 14 LEU H H 1 7.863 0.020 . 1 . . . . A 14 LEU H . 34449 1 161 . 1 . 1 14 14 LEU HA H 1 4.008 0.020 . 1 . . . . A 14 LEU HA . 34449 1 162 . 1 . 1 14 14 LEU HB2 H 1 1.401 0.020 . 2 . . . . A 14 LEU HB2 . 34449 1 163 . 1 . 1 14 14 LEU HB3 H 1 2.108 0.020 . 2 . . . . A 14 LEU HB3 . 34449 1 164 . 1 . 1 14 14 LEU HG H 1 2.052 0.020 . 1 . . . . A 14 LEU HG . 34449 1 165 . 1 . 1 14 14 LEU HD11 H 1 0.767 0.020 . 2 . . . . A 14 LEU HD11 . 34449 1 166 . 1 . 1 14 14 LEU HD12 H 1 0.767 0.020 . 2 . . . . A 14 LEU HD12 . 34449 1 167 . 1 . 1 14 14 LEU HD13 H 1 0.767 0.020 . 2 . . . . A 14 LEU HD13 . 34449 1 168 . 1 . 1 14 14 LEU HD21 H 1 1.043 0.020 . 2 . . . . A 14 LEU HD21 . 34449 1 169 . 1 . 1 14 14 LEU HD22 H 1 1.043 0.020 . 2 . . . . A 14 LEU HD22 . 34449 1 170 . 1 . 1 14 14 LEU HD23 H 1 1.043 0.020 . 2 . . . . A 14 LEU HD23 . 34449 1 171 . 1 . 1 14 14 LEU C C 13 178.342 0.3 . 1 . . . . A 14 LEU C . 34449 1 172 . 1 . 1 14 14 LEU CA C 13 58.823 0.3 . 1 . . . . A 14 LEU CA . 34449 1 173 . 1 . 1 14 14 LEU CB C 13 42.971 0.3 . 1 . . . . A 14 LEU CB . 34449 1 174 . 1 . 1 14 14 LEU CG C 13 27.290 0.3 . 1 . . . . A 14 LEU CG . 34449 1 175 . 1 . 1 14 14 LEU CD1 C 13 27.102 0.3 . 1 . . . . A 14 LEU CD1 . 34449 1 176 . 1 . 1 14 14 LEU CD2 C 13 24.292 0.3 . 1 . . . . A 14 LEU CD2 . 34449 1 177 . 1 . 1 14 14 LEU N N 15 121.120 0.3 . 1 . . . . A 14 LEU N . 34449 1 178 . 1 . 1 15 15 LYS H H 1 8.127 0.020 . 1 . . . . A 15 LYS H . 34449 1 179 . 1 . 1 15 15 LYS HA H 1 3.681 0.020 . 1 . . . . A 15 LYS HA . 34449 1 180 . 1 . 1 15 15 LYS HB2 H 1 1.973 0.020 . 2 . . . . A 15 LYS HB2 . 34449 1 181 . 1 . 1 15 15 LYS HB3 H 1 1.656 0.020 . 2 . . . . A 15 LYS HB3 . 34449 1 182 . 1 . 1 15 15 LYS HG2 H 1 1.339 0.020 . 1 . . . . A 15 LYS HG2 . 34449 1 183 . 1 . 1 15 15 LYS HG3 H 1 1.339 0.020 . 1 . . . . A 15 LYS HG3 . 34449 1 184 . 1 . 1 15 15 LYS HD2 H 1 1.518 0.020 . 1 . . . . A 15 LYS HD2 . 34449 1 185 . 1 . 1 15 15 LYS HD3 H 1 1.518 0.020 . 1 . . . . A 15 LYS HD3 . 34449 1 186 . 1 . 1 15 15 LYS HE2 H 1 2.951 0.020 . 1 . . . . A 15 LYS HE2 . 34449 1 187 . 1 . 1 15 15 LYS HE3 H 1 2.951 0.020 . 1 . . . . A 15 LYS HE3 . 34449 1 188 . 1 . 1 15 15 LYS C C 13 180.925 0.3 . 1 . . . . A 15 LYS C . 34449 1 189 . 1 . 1 15 15 LYS CA C 13 60.749 0.3 . 1 . . . . A 15 LYS CA . 34449 1 190 . 1 . 1 15 15 LYS CB C 13 32.880 0.3 . 1 . . . . A 15 LYS CB . 34449 1 191 . 1 . 1 15 15 LYS CG C 13 25.057 0.3 . 1 . . . . A 15 LYS CG . 34449 1 192 . 1 . 1 15 15 LYS CD C 13 30.068 0.3 . 1 . . . . A 15 LYS CD . 34449 1 193 . 1 . 1 15 15 LYS CE C 13 42.424 0.3 . 1 . . . . A 15 LYS CE . 34449 1 194 . 1 . 1 15 15 LYS N N 15 120.646 0.3 . 1 . . . . A 15 LYS N . 34449 1 195 . 1 . 1 16 16 GLU H H 1 9.259 0.020 . 1 . . . . A 16 GLU H . 34449 1 196 . 1 . 1 16 16 GLU HA H 1 4.107 0.020 . 1 . . . . A 16 GLU HA . 34449 1 197 . 1 . 1 16 16 GLU HB2 H 1 2.094 0.020 . 1 . . . . A 16 GLU HB2 . 34449 1 198 . 1 . 1 16 16 GLU HB3 H 1 2.094 0.020 . 1 . . . . A 16 GLU HB3 . 34449 1 199 . 1 . 1 16 16 GLU HG2 H 1 2.449 0.020 . 2 . . . . A 16 GLU HG2 . 34449 1 200 . 1 . 1 16 16 GLU HG3 H 1 2.312 0.020 . 2 . . . . A 16 GLU HG3 . 34449 1 201 . 1 . 1 16 16 GLU C C 13 178.094 0.3 . 1 . . . . A 16 GLU C . 34449 1 202 . 1 . 1 16 16 GLU CA C 13 59.370 0.3 . 1 . . . . A 16 GLU CA . 34449 1 203 . 1 . 1 16 16 GLU CB C 13 29.920 0.3 . 1 . . . . A 16 GLU CB . 34449 1 204 . 1 . 1 16 16 GLU CG C 13 37.112 0.3 . 1 . . . . A 16 GLU CG . 34449 1 205 . 1 . 1 16 16 GLU N N 15 120.433 0.3 . 1 . . . . A 16 GLU N . 34449 1 206 . 1 . 1 17 17 ASN H H 1 7.268 0.020 . 1 . . . . A 17 ASN H . 34449 1 207 . 1 . 1 17 17 ASN HA H 1 4.745 0.020 . 1 . . . . A 17 ASN HA . 34449 1 208 . 1 . 1 17 17 ASN HB2 H 1 2.934 0.020 . 2 . . . . A 17 ASN HB2 . 34449 1 209 . 1 . 1 17 17 ASN HB3 H 1 2.642 0.020 . 2 . . . . A 17 ASN HB3 . 34449 1 210 . 1 . 1 17 17 ASN HD21 H 1 6.985 0.020 . 1 . . . . A 17 ASN HD21 . 34449 1 211 . 1 . 1 17 17 ASN HD22 H 1 7.694 0.020 . 1 . . . . A 17 ASN HD22 . 34449 1 212 . 1 . 1 17 17 ASN C C 13 172.631 0.3 . 1 . . . . A 17 ASN C . 34449 1 213 . 1 . 1 17 17 ASN CA C 13 54.637 0.3 . 1 . . . . A 17 ASN CA . 34449 1 214 . 1 . 1 17 17 ASN CB C 13 41.625 0.3 . 1 . . . . A 17 ASN CB . 34449 1 215 . 1 . 1 17 17 ASN N N 15 115.054 0.3 . 1 . . . . A 17 ASN N . 34449 1 216 . 1 . 1 18 18 GLN H H 1 8.040 0.020 . 1 . . . . A 18 GLN H . 34449 1 217 . 1 . 1 18 18 GLN HA H 1 3.724 0.020 . 1 . . . . A 18 GLN HA . 34449 1 218 . 1 . 1 18 18 GLN HB2 H 1 2.331 0.020 . 1 . . . . A 18 GLN HB2 . 34449 1 219 . 1 . 1 18 18 GLN HB3 H 1 2.331 0.020 . 1 . . . . A 18 GLN HB3 . 34449 1 220 . 1 . 1 18 18 GLN HG2 H 1 2.297 0.020 . 1 . . . . A 18 GLN HG2 . 34449 1 221 . 1 . 1 18 18 GLN HG3 H 1 2.297 0.020 . 1 . . . . A 18 GLN HG3 . 34449 1 222 . 1 . 1 18 18 GLN HE21 H 1 7.501 0.020 . 1 . . . . A 18 GLN HE21 . 34449 1 223 . 1 . 1 18 18 GLN HE22 H 1 6.807 0.020 . 1 . . . . A 18 GLN HE22 . 34449 1 224 . 1 . 1 18 18 GLN C C 13 176.207 0.3 . 1 . . . . A 18 GLN C . 34449 1 225 . 1 . 1 18 18 GLN CA C 13 57.251 0.3 . 1 . . . . A 18 GLN CA . 34449 1 226 . 1 . 1 18 18 GLN CB C 13 25.536 0.3 . 1 . . . . A 18 GLN CB . 34449 1 227 . 1 . 1 18 18 GLN CG C 13 34.273 0.3 . 1 . . . . A 18 GLN CG . 34449 1 228 . 1 . 1 18 18 GLN N N 15 114.006 0.3 . 1 . . . . A 18 GLN N . 34449 1 229 . 1 . 1 19 19 CYS H H 1 8.286 0.020 . 1 . . . . A 19 CYS H . 34449 1 230 . 1 . 1 19 19 CYS HA H 1 4.800 0.020 . 1 . . . . A 19 CYS HA . 34449 1 231 . 1 . 1 19 19 CYS HB2 H 1 2.766 0.020 . 2 . . . . A 19 CYS HB2 . 34449 1 232 . 1 . 1 19 19 CYS HB3 H 1 2.865 0.020 . 2 . . . . A 19 CYS HB3 . 34449 1 233 . 1 . 1 19 19 CYS C C 13 176.853 0.3 . 1 . . . . A 19 CYS C . 34449 1 234 . 1 . 1 19 19 CYS CA C 13 57.585 0.3 . 1 . . . . A 19 CYS CA . 34449 1 235 . 1 . 1 19 19 CYS CB C 13 26.639 0.3 . 1 . . . . A 19 CYS CB . 34449 1 236 . 1 . 1 19 19 CYS N N 15 118.180 0.3 . 1 . . . . A 19 CYS N . 34449 1 237 . 1 . 1 20 20 THR H H 1 7.657 0.020 . 1 . . . . A 20 THR H . 34449 1 238 . 1 . 1 20 20 THR HA H 1 4.985 0.020 . 1 . . . . A 20 THR HA . 34449 1 239 . 1 . 1 20 20 THR HB H 1 4.690 0.020 . 1 . . . . A 20 THR HB . 34449 1 240 . 1 . 1 20 20 THR HG21 H 1 0.926 0.020 . 1 . . . . A 20 THR HG21 . 34449 1 241 . 1 . 1 20 20 THR HG22 H 1 0.926 0.020 . 1 . . . . A 20 THR HG22 . 34449 1 242 . 1 . 1 20 20 THR HG23 H 1 0.926 0.020 . 1 . . . . A 20 THR HG23 . 34449 1 243 . 1 . 1 20 20 THR C C 13 175.040 0.3 . 1 . . . . A 20 THR C . 34449 1 244 . 1 . 1 20 20 THR CA C 13 61.059 0.3 . 1 . . . . A 20 THR CA . 34449 1 245 . 1 . 1 20 20 THR CB C 13 69.491 0.3 . 1 . . . . A 20 THR CB . 34449 1 246 . 1 . 1 20 20 THR CG2 C 13 21.303 0.3 . 1 . . . . A 20 THR CG2 . 34449 1 247 . 1 . 1 20 20 THR N N 15 108.325 0.3 . 1 . . . . A 20 THR N . 34449 1 248 . 1 . 1 21 21 THR H H 1 7.514 0.020 . 1 . . . . A 21 THR H . 34449 1 249 . 1 . 1 21 21 THR HA H 1 3.929 0.020 . 1 . . . . A 21 THR HA . 34449 1 250 . 1 . 1 21 21 THR HB H 1 4.214 0.020 . 1 . . . . A 21 THR HB . 34449 1 251 . 1 . 1 21 21 THR HG21 H 1 1.057 0.020 . 1 . . . . A 21 THR HG21 . 34449 1 252 . 1 . 1 21 21 THR HG22 H 1 1.057 0.020 . 1 . . . . A 21 THR HG22 . 34449 1 253 . 1 . 1 21 21 THR HG23 H 1 1.057 0.020 . 1 . . . . A 21 THR HG23 . 34449 1 254 . 1 . 1 21 21 THR C C 13 179.361 0.3 . 1 . . . . A 21 THR C . 34449 1 255 . 1 . 1 21 21 THR CA C 13 58.838 0.3 . 1 . . . . A 21 THR CA . 34449 1 256 . 1 . 1 21 21 THR CB C 13 73.254 0.3 . 1 . . . . A 21 THR CB . 34449 1 257 . 1 . 1 21 21 THR CG2 C 13 21.758 0.3 . 1 . . . . A 21 THR CG2 . 34449 1 258 . 1 . 1 21 21 THR N N 15 112.402 0.3 . 1 . . . . A 21 THR N . 34449 1 259 . 1 . 1 22 22 GLU H H 1 8.349 0.020 . 1 . . . . A 22 GLU H . 34449 1 260 . 1 . 1 22 22 GLU HA H 1 3.602 0.020 . 1 . . . . A 22 GLU HA . 34449 1 261 . 1 . 1 22 22 GLU HB2 H 1 2.000 0.020 . 1 . . . . A 22 GLU HB2 . 34449 1 262 . 1 . 1 22 22 GLU HB3 H 1 2.000 0.020 . 1 . . . . A 22 GLU HB3 . 34449 1 263 . 1 . 1 22 22 GLU HG2 H 1 2.282 0.020 . 2 . . . . A 22 GLU HG2 . 34449 1 264 . 1 . 1 22 22 GLU HG3 H 1 2.198 0.020 . 2 . . . . A 22 GLU HG3 . 34449 1 265 . 1 . 1 22 22 GLU C C 13 177.150 0.3 . 1 . . . . A 22 GLU C . 34449 1 266 . 1 . 1 22 22 GLU CA C 13 58.518 0.3 . 1 . . . . A 22 GLU CA . 34449 1 267 . 1 . 1 22 22 GLU CB C 13 28.947 0.3 . 1 . . . . A 22 GLU CB . 34449 1 268 . 1 . 1 22 22 GLU CG C 13 36.100 0.3 . 1 . . . . A 22 GLU CG . 34449 1 269 . 1 . 1 22 22 GLU N N 15 115.571 0.3 . 1 . . . . A 22 GLU N . 34449 1 270 . 1 . 1 23 23 LEU H H 1 7.291 0.020 . 1 . . . . A 23 LEU H . 34449 1 271 . 1 . 1 23 23 LEU HA H 1 4.338 0.020 . 1 . . . . A 23 LEU HA . 34449 1 272 . 1 . 1 23 23 LEU HB2 H 1 1.484 0.020 . 2 . . . . A 23 LEU HB2 . 34449 1 273 . 1 . 1 23 23 LEU HB3 H 1 1.559 0.020 . 2 . . . . A 23 LEU HB3 . 34449 1 274 . 1 . 1 23 23 LEU HG H 1 1.575 0.020 . 1 . . . . A 23 LEU HG . 34449 1 275 . 1 . 1 23 23 LEU HD11 H 1 0.850 0.020 . 2 . . . . A 23 LEU HD11 . 34449 1 276 . 1 . 1 23 23 LEU HD12 H 1 0.850 0.020 . 2 . . . . A 23 LEU HD12 . 34449 1 277 . 1 . 1 23 23 LEU HD13 H 1 0.850 0.020 . 2 . . . . A 23 LEU HD13 . 34449 1 278 . 1 . 1 23 23 LEU HD21 H 1 0.886 0.020 . 2 . . . . A 23 LEU HD21 . 34449 1 279 . 1 . 1 23 23 LEU HD22 H 1 0.886 0.020 . 2 . . . . A 23 LEU HD22 . 34449 1 280 . 1 . 1 23 23 LEU HD23 H 1 0.886 0.020 . 2 . . . . A 23 LEU HD23 . 34449 1 281 . 1 . 1 23 23 LEU C C 13 177.697 0.3 . 1 . . . . A 23 LEU C . 34449 1 282 . 1 . 1 23 23 LEU CA C 13 55.556 0.3 . 1 . . . . A 23 LEU CA . 34449 1 283 . 1 . 1 23 23 LEU CB C 13 43.060 0.3 . 1 . . . . A 23 LEU CB . 34449 1 284 . 1 . 1 23 23 LEU CG C 13 27.548 0.3 . 1 . . . . A 23 LEU CG . 34449 1 285 . 1 . 1 23 23 LEU CD1 C 13 23.347 0.3 . 1 . . . . A 23 LEU CD1 . 34449 1 286 . 1 . 1 23 23 LEU CD2 C 13 25.311 0.3 . 1 . . . . A 23 LEU CD2 . 34449 1 287 . 1 . 1 23 23 LEU N N 15 117.450 0.3 . 1 . . . . A 23 LEU N . 34449 1 288 . 1 . 1 24 24 LYS H H 1 7.373 0.020 . 1 . . . . A 24 LYS H . 34449 1 289 . 1 . 1 24 24 LYS HA H 1 4.476 0.020 . 1 . . . . A 24 LYS HA . 34449 1 290 . 1 . 1 24 24 LYS HB2 H 1 2.084 0.020 . 2 . . . . A 24 LYS HB2 . 34449 1 291 . 1 . 1 24 24 LYS HB3 H 1 1.618 0.020 . 2 . . . . A 24 LYS HB3 . 34449 1 292 . 1 . 1 24 24 LYS HG2 H 1 1.319 0.020 . 1 . . . . A 24 LYS HG2 . 34449 1 293 . 1 . 1 24 24 LYS HG3 H 1 1.319 0.020 . 1 . . . . A 24 LYS HG3 . 34449 1 294 . 1 . 1 24 24 LYS HD2 H 1 1.711 0.020 . 2 . . . . A 24 LYS HD2 . 34449 1 295 . 1 . 1 24 24 LYS HD3 H 1 1.753 0.020 . 2 . . . . A 24 LYS HD3 . 34449 1 296 . 1 . 1 24 24 LYS HE2 H 1 3.069 0.020 . 1 . . . . A 24 LYS HE2 . 34449 1 297 . 1 . 1 24 24 LYS HE3 H 1 3.069 0.020 . 1 . . . . A 24 LYS HE3 . 34449 1 298 . 1 . 1 24 24 LYS C C 13 172.010 0.3 . 1 . . . . A 24 LYS C . 34449 1 299 . 1 . 1 24 24 LYS CA C 13 55.438 0.3 . 1 . . . . A 24 LYS CA . 34449 1 300 . 1 . 1 24 24 LYS CB C 13 32.042 0.3 . 1 . . . . A 24 LYS CB . 34449 1 301 . 1 . 1 24 24 LYS CG C 13 24.915 0.3 . 1 . . . . A 24 LYS CG . 34449 1 302 . 1 . 1 24 24 LYS CD C 13 29.261 0.3 . 1 . . . . A 24 LYS CD . 34449 1 303 . 1 . 1 24 24 LYS CE C 13 42.443 0.3 . 1 . . . . A 24 LYS CE . 34449 1 304 . 1 . 1 24 24 LYS N N 15 125.741 0.3 . 1 . . . . A 24 LYS N . 34449 1 305 . 1 . 1 25 25 SER H H 1 7.066 0.020 . 1 . . . . A 25 SER H . 34449 1 306 . 1 . 1 25 25 SER HA H 1 4.641 0.020 . 1 . . . . A 25 SER HA . 34449 1 307 . 1 . 1 25 25 SER HB2 H 1 3.723 0.020 . 2 . . . . A 25 SER HB2 . 34449 1 308 . 1 . 1 25 25 SER HB3 H 1 3.619 0.020 . 2 . . . . A 25 SER HB3 . 34449 1 309 . 1 . 1 25 25 SER C C 13 174.320 0.3 . 1 . . . . A 25 SER C . 34449 1 310 . 1 . 1 25 25 SER CA C 13 57.104 0.3 . 1 . . . . A 25 SER CA . 34449 1 311 . 1 . 1 25 25 SER CB C 13 66.024 0.3 . 1 . . . . A 25 SER CB . 34449 1 312 . 1 . 1 25 25 SER N N 15 112.151 0.3 . 1 . . . . A 25 SER N . 34449 1 313 . 1 . 1 26 26 PHE H H 1 8.673 0.020 . 1 . . . . A 26 PHE H . 34449 1 314 . 1 . 1 26 26 PHE HA H 1 6.049 0.020 . 1 . . . . A 26 PHE HA . 34449 1 315 . 1 . 1 26 26 PHE HB2 H 1 3.497 0.020 . 2 . . . . A 26 PHE HB2 . 34449 1 316 . 1 . 1 26 26 PHE HB3 H 1 3.076 0.020 . 2 . . . . A 26 PHE HB3 . 34449 1 317 . 1 . 1 26 26 PHE HD1 H 1 7.235 0.020 . 1 . . . . A 26 PHE HD1 . 34449 1 318 . 1 . 1 26 26 PHE HD2 H 1 7.235 0.020 . 1 . . . . A 26 PHE HD2 . 34449 1 319 . 1 . 1 26 26 PHE HE1 H 1 7.157 0.020 . 1 . . . . A 26 PHE HE1 . 34449 1 320 . 1 . 1 26 26 PHE HE2 H 1 7.157 0.020 . 1 . . . . A 26 PHE HE2 . 34449 1 321 . 1 . 1 26 26 PHE HZ H 1 7.218 0.020 . 1 . . . . A 26 PHE HZ . 34449 1 322 . 1 . 1 26 26 PHE C C 13 177.349 0.3 . 1 . . . . A 26 PHE C . 34449 1 323 . 1 . 1 26 26 PHE CA C 13 51.937 0.3 . 1 . . . . A 26 PHE CA . 34449 1 324 . 1 . 1 26 26 PHE CB C 13 43.672 0.3 . 1 . . . . A 26 PHE CB . 34449 1 325 . 1 . 1 26 26 PHE CD1 C 13 130.320 0.3 . 3 . . . . A 26 PHE CD1 . 34449 1 326 . 1 . 1 26 26 PHE CD2 C 13 130.320 0.3 . 3 . . . . A 26 PHE CD2 . 34449 1 327 . 1 . 1 26 26 PHE CE1 C 13 130.005 0.3 . 3 . . . . A 26 PHE CE1 . 34449 1 328 . 1 . 1 26 26 PHE CE2 C 13 130.005 0.3 . 3 . . . . A 26 PHE CE2 . 34449 1 329 . 1 . 1 26 26 PHE CZ C 13 132.115 0.3 . 1 . . . . A 26 PHE CZ . 34449 1 330 . 1 . 1 26 26 PHE N N 15 120.243 0.3 . 1 . . . . A 26 PHE N . 34449 1 331 . 1 . 1 27 27 THR H H 1 8.015 0.020 . 1 . . . . A 27 THR H . 34449 1 332 . 1 . 1 27 27 THR HA H 1 4.987 0.020 . 1 . . . . A 27 THR HA . 34449 1 333 . 1 . 1 27 27 THR HB H 1 5.009 0.020 . 1 . . . . A 27 THR HB . 34449 1 334 . 1 . 1 27 27 THR HG21 H 1 1.416 0.020 . 1 . . . . A 27 THR HG21 . 34449 1 335 . 1 . 1 27 27 THR HG22 H 1 1.416 0.020 . 1 . . . . A 27 THR HG22 . 34449 1 336 . 1 . 1 27 27 THR HG23 H 1 1.416 0.020 . 1 . . . . A 27 THR HG23 . 34449 1 337 . 1 . 1 27 27 THR C C 13 176.505 0.3 . 1 . . . . A 27 THR C . 34449 1 338 . 1 . 1 27 27 THR CA C 13 60.088 0.3 . 1 . . . . A 27 THR CA . 34449 1 339 . 1 . 1 27 27 THR CB C 13 72.204 0.3 . 1 . . . . A 27 THR CB . 34449 1 340 . 1 . 1 27 27 THR CG2 C 13 22.735 0.3 . 1 . . . . A 27 THR CG2 . 34449 1 341 . 1 . 1 27 27 THR N N 15 110.336 0.3 . 1 . . . . A 27 THR N . 34449 1 342 . 1 . 1 28 28 TYR H H 1 8.964 0.020 . 1 . . . . A 28 TYR H . 34449 1 343 . 1 . 1 28 28 TYR HA H 1 4.413 0.020 . 1 . . . . A 28 TYR HA . 34449 1 344 . 1 . 1 28 28 TYR HB2 H 1 3.104 0.020 . 2 . . . . A 28 TYR HB2 . 34449 1 345 . 1 . 1 28 28 TYR HB3 H 1 3.161 0.020 . 2 . . . . A 28 TYR HB3 . 34449 1 346 . 1 . 1 28 28 TYR HD1 H 1 7.150 0.020 . 1 . . . . A 28 TYR HD1 . 34449 1 347 . 1 . 1 28 28 TYR HD2 H 1 7.150 0.020 . 1 . . . . A 28 TYR HD2 . 34449 1 348 . 1 . 1 28 28 TYR HE1 H 1 6.656 0.020 . 1 . . . . A 28 TYR HE1 . 34449 1 349 . 1 . 1 28 28 TYR HE2 H 1 6.656 0.020 . 1 . . . . A 28 TYR HE2 . 34449 1 350 . 1 . 1 28 28 TYR C C 13 179.385 0.3 . 1 . . . . A 28 TYR C . 34449 1 351 . 1 . 1 28 28 TYR CA C 13 62.120 0.3 . 1 . . . . A 28 TYR CA . 34449 1 352 . 1 . 1 28 28 TYR CB C 13 38.902 0.3 . 1 . . . . A 28 TYR CB . 34449 1 353 . 1 . 1 28 28 TYR CD1 C 13 132.922 0.3 . 3 . . . . A 28 TYR CD1 . 34449 1 354 . 1 . 1 28 28 TYR CD2 C 13 132.922 0.3 . 3 . . . . A 28 TYR CD2 . 34449 1 355 . 1 . 1 28 28 TYR CE1 C 13 119.074 0.3 . 3 . . . . A 28 TYR CE1 . 34449 1 356 . 1 . 1 28 28 TYR CE2 C 13 119.074 0.3 . 3 . . . . A 28 TYR CE2 . 34449 1 357 . 1 . 1 28 28 TYR N N 15 117.617 0.3 . 1 . . . . A 28 TYR N . 34449 1 358 . 1 . 1 29 29 THR H H 1 8.559 0.020 . 1 . . . . A 29 THR H . 34449 1 359 . 1 . 1 29 29 THR HA H 1 3.795 0.020 . 1 . . . . A 29 THR HA . 34449 1 360 . 1 . 1 29 29 THR HB H 1 4.076 0.020 . 1 . . . . A 29 THR HB . 34449 1 361 . 1 . 1 29 29 THR HG21 H 1 1.250 0.020 . 1 . . . . A 29 THR HG21 . 34449 1 362 . 1 . 1 29 29 THR HG22 H 1 1.250 0.020 . 1 . . . . A 29 THR HG22 . 34449 1 363 . 1 . 1 29 29 THR HG23 H 1 1.250 0.020 . 1 . . . . A 29 THR HG23 . 34449 1 364 . 1 . 1 29 29 THR C C 13 176.455 0.3 . 1 . . . . A 29 THR C . 34449 1 365 . 1 . 1 29 29 THR CA C 13 67.598 0.3 . 1 . . . . A 29 THR CA . 34449 1 366 . 1 . 1 29 29 THR CB C 13 69.131 0.3 . 1 . . . . A 29 THR CB . 34449 1 367 . 1 . 1 29 29 THR CG2 C 13 22.247 0.3 . 1 . . . . A 29 THR CG2 . 34449 1 368 . 1 . 1 29 29 THR N N 15 114.320 0.3 . 1 . . . . A 29 THR N . 34449 1 369 . 1 . 1 30 30 LYS H H 1 7.927 0.020 . 1 . . . . A 30 LYS H . 34449 1 370 . 1 . 1 30 30 LYS HA H 1 3.994 0.020 . 1 . . . . A 30 LYS HA . 34449 1 371 . 1 . 1 30 30 LYS HB2 H 1 1.662 0.020 . 1 . . . . A 30 LYS HB2 . 34449 1 372 . 1 . 1 30 30 LYS HB3 H 1 1.662 0.020 . 1 . . . . A 30 LYS HB3 . 34449 1 373 . 1 . 1 30 30 LYS HG2 H 1 0.565 0.020 . 1 . . . . A 30 LYS HG2 . 34449 1 374 . 1 . 1 30 30 LYS HG3 H 1 0.565 0.020 . 1 . . . . A 30 LYS HG3 . 34449 1 375 . 1 . 1 30 30 LYS HD2 H 1 1.477 0.020 . 2 . . . . A 30 LYS HD2 . 34449 1 376 . 1 . 1 30 30 LYS HD3 H 1 1.157 0.020 . 2 . . . . A 30 LYS HD3 . 34449 1 377 . 1 . 1 30 30 LYS HE2 H 1 2.387 0.020 . 2 . . . . A 30 LYS HE2 . 34449 1 378 . 1 . 1 30 30 LYS HE3 H 1 2.448 0.020 . 2 . . . . A 30 LYS HE3 . 34449 1 379 . 1 . 1 30 30 LYS C C 13 178.864 0.3 . 1 . . . . A 30 LYS C . 34449 1 380 . 1 . 1 30 30 LYS CA C 13 59.108 0.3 . 1 . . . . A 30 LYS CA . 34449 1 381 . 1 . 1 30 30 LYS CB C 13 32.548 0.3 . 1 . . . . A 30 LYS CB . 34449 1 382 . 1 . 1 30 30 LYS CG C 13 24.381 0.3 . 1 . . . . A 30 LYS CG . 34449 1 383 . 1 . 1 30 30 LYS CD C 13 28.663 0.3 . 1 . . . . A 30 LYS CD . 34449 1 384 . 1 . 1 30 30 LYS CE C 13 42.562 0.3 . 1 . . . . A 30 LYS CE . 34449 1 385 . 1 . 1 30 30 LYS N N 15 124.176 0.3 . 1 . . . . A 30 LYS N . 34449 1 386 . 1 . 1 31 31 LEU H H 1 8.124 0.020 . 1 . . . . A 31 LEU H . 34449 1 387 . 1 . 1 31 31 LEU HA H 1 4.100 0.020 . 1 . . . . A 31 LEU HA . 34449 1 388 . 1 . 1 31 31 LEU HB2 H 1 1.320 0.020 . 2 . . . . A 31 LEU HB2 . 34449 1 389 . 1 . 1 31 31 LEU HB3 H 1 2.456 0.020 . 2 . . . . A 31 LEU HB3 . 34449 1 390 . 1 . 1 31 31 LEU HG H 1 2.116 0.020 . 1 . . . . A 31 LEU HG . 34449 1 391 . 1 . 1 31 31 LEU HD11 H 1 1.161 0.020 . 2 . . . . A 31 LEU HD11 . 34449 1 392 . 1 . 1 31 31 LEU HD12 H 1 1.161 0.020 . 2 . . . . A 31 LEU HD12 . 34449 1 393 . 1 . 1 31 31 LEU HD13 H 1 1.161 0.020 . 2 . . . . A 31 LEU HD13 . 34449 1 394 . 1 . 1 31 31 LEU HD21 H 1 0.968 0.020 . 2 . . . . A 31 LEU HD21 . 34449 1 395 . 1 . 1 31 31 LEU HD22 H 1 0.968 0.020 . 2 . . . . A 31 LEU HD22 . 34449 1 396 . 1 . 1 31 31 LEU HD23 H 1 0.968 0.020 . 2 . . . . A 31 LEU HD23 . 34449 1 397 . 1 . 1 31 31 LEU C C 13 181.322 0.3 . 1 . . . . A 31 LEU C . 34449 1 398 . 1 . 1 31 31 LEU CA C 13 58.504 0.3 . 1 . . . . A 31 LEU CA . 34449 1 399 . 1 . 1 31 31 LEU CB C 13 43.177 0.3 . 1 . . . . A 31 LEU CB . 34449 1 400 . 1 . 1 31 31 LEU CG C 13 27.738 0.3 . 1 . . . . A 31 LEU CG . 34449 1 401 . 1 . 1 31 31 LEU CD1 C 13 24.105 0.3 . 1 . . . . A 31 LEU CD1 . 34449 1 402 . 1 . 1 31 31 LEU CD2 C 13 25.997 0.3 . 1 . . . . A 31 LEU CD2 . 34449 1 403 . 1 . 1 31 31 LEU N N 15 117.669 0.3 . 1 . . . . A 31 LEU N . 34449 1 404 . 1 . 1 32 32 CYS H H 1 8.922 0.020 . 1 . . . . A 32 CYS H . 34449 1 405 . 1 . 1 32 32 CYS HA H 1 4.008 0.020 . 1 . . . . A 32 CYS HA . 34449 1 406 . 1 . 1 32 32 CYS HB2 H 1 3.097 0.020 . 2 . . . . A 32 CYS HB2 . 34449 1 407 . 1 . 1 32 32 CYS HB3 H 1 3.169 0.020 . 2 . . . . A 32 CYS HB3 . 34449 1 408 . 1 . 1 32 32 CYS C C 13 176.828 0.3 . 1 . . . . A 32 CYS C . 34449 1 409 . 1 . 1 32 32 CYS CA C 13 64.305 0.3 . 1 . . . . A 32 CYS CA . 34449 1 410 . 1 . 1 32 32 CYS CB C 13 27.579 0.3 . 1 . . . . A 32 CYS CB . 34449 1 411 . 1 . 1 32 32 CYS N N 15 122.480 0.3 . 1 . . . . A 32 CYS N . 34449 1 412 . 1 . 1 33 33 ASN H H 1 8.270 0.020 . 1 . . . . A 33 ASN H . 34449 1 413 . 1 . 1 33 33 ASN HA H 1 4.434 0.020 . 1 . . . . A 33 ASN HA . 34449 1 414 . 1 . 1 33 33 ASN HB2 H 1 2.838 0.020 . 2 . . . . A 33 ASN HB2 . 34449 1 415 . 1 . 1 33 33 ASN HB3 H 1 2.932 0.020 . 2 . . . . A 33 ASN HB3 . 34449 1 416 . 1 . 1 33 33 ASN HD21 H 1 6.940 0.020 . 1 . . . . A 33 ASN HD21 . 34449 1 417 . 1 . 1 33 33 ASN HD22 H 1 7.526 0.020 . 1 . . . . A 33 ASN HD22 . 34449 1 418 . 1 . 1 33 33 ASN C C 13 178.367 0.3 . 1 . . . . A 33 ASN C . 34449 1 419 . 1 . 1 33 33 ASN CA C 13 56.756 0.3 . 1 . . . . A 33 ASN CA . 34449 1 420 . 1 . 1 33 33 ASN CB C 13 39.003 0.3 . 1 . . . . A 33 ASN CB . 34449 1 421 . 1 . 1 33 33 ASN N N 15 119.164 0.3 . 1 . . . . A 33 ASN N . 34449 1 422 . 1 . 1 34 34 ILE H H 1 8.282 0.020 . 1 . . . . A 34 ILE H . 34449 1 423 . 1 . 1 34 34 ILE HA H 1 4.215 0.020 . 1 . . . . A 34 ILE HA . 34449 1 424 . 1 . 1 34 34 ILE HB H 1 2.020 0.020 . 1 . . . . A 34 ILE HB . 34449 1 425 . 1 . 1 34 34 ILE HG12 H 1 1.574 0.020 . 2 . . . . A 34 ILE HG12 . 34449 1 426 . 1 . 1 34 34 ILE HG13 H 1 1.535 0.020 . 2 . . . . A 34 ILE HG13 . 34449 1 427 . 1 . 1 34 34 ILE HG21 H 1 1.006 0.020 . 1 . . . . A 34 ILE HG21 . 34449 1 428 . 1 . 1 34 34 ILE HG22 H 1 1.006 0.020 . 1 . . . . A 34 ILE HG22 . 34449 1 429 . 1 . 1 34 34 ILE HG23 H 1 1.006 0.020 . 1 . . . . A 34 ILE HG23 . 34449 1 430 . 1 . 1 34 34 ILE HD11 H 1 0.893 0.020 . 1 . . . . A 34 ILE HD11 . 34449 1 431 . 1 . 1 34 34 ILE HD12 H 1 0.893 0.020 . 1 . . . . A 34 ILE HD12 . 34449 1 432 . 1 . 1 34 34 ILE HD13 H 1 0.893 0.020 . 1 . . . . A 34 ILE HD13 . 34449 1 433 . 1 . 1 34 34 ILE C C 13 177.597 0.3 . 1 . . . . A 34 ILE C . 34449 1 434 . 1 . 1 34 34 ILE CA C 13 63.840 0.3 . 1 . . . . A 34 ILE CA . 34449 1 435 . 1 . 1 34 34 ILE CB C 13 38.344 0.3 . 1 . . . . A 34 ILE CB . 34449 1 436 . 1 . 1 34 34 ILE CG1 C 13 27.089 0.3 . 1 . . . . A 34 ILE CG1 . 34449 1 437 . 1 . 1 34 34 ILE CG2 C 13 17.860 0.3 . 1 . . . . A 34 ILE CG2 . 34449 1 438 . 1 . 1 34 34 ILE CD1 C 13 15.143 0.3 . 1 . . . . A 34 ILE CD1 . 34449 1 439 . 1 . 1 34 34 ILE N N 15 114.093 0.3 . 1 . . . . A 34 ILE N . 34449 1 440 . 1 . 1 35 35 SER H H 1 7.826 0.020 . 1 . . . . A 35 SER H . 34449 1 441 . 1 . 1 35 35 SER HA H 1 4.274 0.020 . 1 . . . . A 35 SER HA . 34449 1 442 . 1 . 1 35 35 SER HB2 H 1 3.807 0.020 . 2 . . . . A 35 SER HB2 . 34449 1 443 . 1 . 1 35 35 SER HB3 H 1 3.858 0.020 . 2 . . . . A 35 SER HB3 . 34449 1 444 . 1 . 1 35 35 SER C C 13 174.667 0.3 . 1 . . . . A 35 SER C . 34449 1 445 . 1 . 1 35 35 SER CA C 13 60.706 0.3 . 1 . . . . A 35 SER CA . 34449 1 446 . 1 . 1 35 35 SER CB C 13 65.618 0.3 . 1 . . . . A 35 SER CB . 34449 1 447 . 1 . 1 35 35 SER N N 15 115.295 0.3 . 1 . . . . A 35 SER N . 34449 1 448 . 1 . 1 36 36 LYS H H 1 7.946 0.020 . 1 . . . . A 36 LYS H . 34449 1 449 . 1 . 1 36 36 LYS HA H 1 4.014 0.020 . 1 . . . . A 36 LYS HA . 34449 1 450 . 1 . 1 36 36 LYS HB2 H 1 2.164 0.020 . 2 . . . . A 36 LYS HB2 . 34449 1 451 . 1 . 1 36 36 LYS HB3 H 1 2.046 0.020 . 2 . . . . A 36 LYS HB3 . 34449 1 452 . 1 . 1 36 36 LYS HG2 H 1 1.426 0.020 . 2 . . . . A 36 LYS HG2 . 34449 1 453 . 1 . 1 36 36 LYS HG3 H 1 1.333 0.020 . 2 . . . . A 36 LYS HG3 . 34449 1 454 . 1 . 1 36 36 LYS HD2 H 1 1.705 0.020 . 2 . . . . A 36 LYS HD2 . 34449 1 455 . 1 . 1 36 36 LYS HD3 H 1 1.656 0.020 . 2 . . . . A 36 LYS HD3 . 34449 1 456 . 1 . 1 36 36 LYS HE2 H 1 3.034 0.020 . 1 . . . . A 36 LYS HE2 . 34449 1 457 . 1 . 1 36 36 LYS HE3 H 1 3.034 0.020 . 1 . . . . A 36 LYS HE3 . 34449 1 458 . 1 . 1 36 36 LYS C C 13 175.934 0.3 . 1 . . . . A 36 LYS C . 34449 1 459 . 1 . 1 36 36 LYS CA C 13 58.053 0.3 . 1 . . . . A 36 LYS CA . 34449 1 460 . 1 . 1 36 36 LYS CB C 13 29.273 0.3 . 1 . . . . A 36 LYS CB . 34449 1 461 . 1 . 1 36 36 LYS CG C 13 25.374 0.3 . 1 . . . . A 36 LYS CG . 34449 1 462 . 1 . 1 36 36 LYS CD C 13 29.119 0.3 . 1 . . . . A 36 LYS CD . 34449 1 463 . 1 . 1 36 36 LYS CE C 13 42.864 0.3 . 1 . . . . A 36 LYS CE . 34449 1 464 . 1 . 1 36 36 LYS N N 15 117.123 0.3 . 1 . . . . A 36 LYS N . 34449 1 465 . 1 . 1 37 37 LEU H H 1 7.670 0.020 . 1 . . . . A 37 LEU H . 34449 1 466 . 1 . 1 37 37 LEU HA H 1 4.641 0.020 . 1 . . . . A 37 LEU HA . 34449 1 467 . 1 . 1 37 37 LEU HB2 H 1 1.679 0.020 . 2 . . . . A 37 LEU HB2 . 34449 1 468 . 1 . 1 37 37 LEU HB3 H 1 1.277 0.020 . 2 . . . . A 37 LEU HB3 . 34449 1 469 . 1 . 1 37 37 LEU HG H 1 1.541 0.020 . 1 . . . . A 37 LEU HG . 34449 1 470 . 1 . 1 37 37 LEU HD11 H 1 0.846 0.020 . 2 . . . . A 37 LEU HD11 . 34449 1 471 . 1 . 1 37 37 LEU HD12 H 1 0.846 0.020 . 2 . . . . A 37 LEU HD12 . 34449 1 472 . 1 . 1 37 37 LEU HD13 H 1 0.846 0.020 . 2 . . . . A 37 LEU HD13 . 34449 1 473 . 1 . 1 37 37 LEU HD21 H 1 0.935 0.020 . 2 . . . . A 37 LEU HD21 . 34449 1 474 . 1 . 1 37 37 LEU HD22 H 1 0.935 0.020 . 2 . . . . A 37 LEU HD22 . 34449 1 475 . 1 . 1 37 37 LEU HD23 H 1 0.935 0.020 . 2 . . . . A 37 LEU HD23 . 34449 1 476 . 1 . 1 37 37 LEU C C 13 176.977 0.3 . 1 . . . . A 37 LEU C . 34449 1 477 . 1 . 1 37 37 LEU CA C 13 53.625 0.3 . 1 . . . . A 37 LEU CA . 34449 1 478 . 1 . 1 37 37 LEU CB C 13 45.173 0.3 . 1 . . . . A 37 LEU CB . 34449 1 479 . 1 . 1 37 37 LEU CG C 13 26.628 0.3 . 1 . . . . A 37 LEU CG . 34449 1 480 . 1 . 1 37 37 LEU CD1 C 13 25.846 0.3 . 1 . . . . A 37 LEU CD1 . 34449 1 481 . 1 . 1 37 37 LEU CD2 C 13 22.880 0.3 . 1 . . . . A 37 LEU CD2 . 34449 1 482 . 1 . 1 37 37 LEU N N 15 120.552 0.3 . 1 . . . . A 37 LEU N . 34449 1 483 . 1 . 1 38 38 SER H H 1 8.542 0.020 . 1 . . . . A 38 SER H . 34449 1 484 . 1 . 1 38 38 SER HA H 1 4.345 0.020 . 1 . . . . A 38 SER HA . 34449 1 485 . 1 . 1 38 38 SER HB2 H 1 4.067 0.020 . 2 . . . . A 38 SER HB2 . 34449 1 486 . 1 . 1 38 38 SER HB3 H 1 4.286 0.020 . 2 . . . . A 38 SER HB3 . 34449 1 487 . 1 . 1 38 38 SER C C 13 175.214 0.3 . 1 . . . . A 38 SER C . 34449 1 488 . 1 . 1 38 38 SER CA C 13 57.768 0.3 . 1 . . . . A 38 SER CA . 34449 1 489 . 1 . 1 38 38 SER CB C 13 65.254 0.3 . 1 . . . . A 38 SER CB . 34449 1 490 . 1 . 1 38 38 SER N N 15 116.185 0.3 . 1 . . . . A 38 SER N . 34449 1 491 . 1 . 1 39 39 MET H H 1 9.024 0.020 . 1 . . . . A 39 MET H . 34449 1 492 . 1 . 1 39 39 MET HA H 1 4.236 0.020 . 1 . . . . A 39 MET HA . 34449 1 493 . 1 . 1 39 39 MET HB2 H 1 1.973 0.020 . 2 . . . . A 39 MET HB2 . 34449 1 494 . 1 . 1 39 39 MET HB3 H 1 2.185 0.020 . 2 . . . . A 39 MET HB3 . 34449 1 495 . 1 . 1 39 39 MET HG2 H 1 2.263 0.020 . 2 . . . . A 39 MET HG2 . 34449 1 496 . 1 . 1 39 39 MET HG3 H 1 2.693 0.020 . 2 . . . . A 39 MET HG3 . 34449 1 497 . 1 . 1 39 39 MET C C 13 178.467 0.3 . 1 . . . . A 39 MET C . 34449 1 498 . 1 . 1 39 39 MET CA C 13 58.127 0.3 . 1 . . . . A 39 MET CA . 34449 1 499 . 1 . 1 39 39 MET CB C 13 30.409 0.3 . 1 . . . . A 39 MET CB . 34449 1 500 . 1 . 1 39 39 MET CG C 13 32.683 0.3 . 1 . . . . A 39 MET CG . 34449 1 501 . 1 . 1 39 39 MET N N 15 122.678 0.3 . 1 . . . . A 39 MET N . 34449 1 502 . 1 . 1 40 40 SER H H 1 8.525 0.020 . 1 . . . . A 40 SER H . 34449 1 503 . 1 . 1 40 40 SER HA H 1 4.015 0.020 . 1 . . . . A 40 SER HA . 34449 1 504 . 1 . 1 40 40 SER HB2 H 1 3.844 0.020 . 2 . . . . A 40 SER HB2 . 34449 1 505 . 1 . 1 40 40 SER HB3 H 1 3.807 0.020 . 2 . . . . A 40 SER HB3 . 34449 1 506 . 1 . 1 40 40 SER C C 13 177.697 0.3 . 1 . . . . A 40 SER C . 34449 1 507 . 1 . 1 40 40 SER CA C 13 61.836 0.3 . 1 . . . . A 40 SER CA . 34449 1 508 . 1 . 1 40 40 SER CB C 13 62.426 0.3 . 1 . . . . A 40 SER CB . 34449 1 509 . 1 . 1 40 40 SER N N 15 114.009 0.3 . 1 . . . . A 40 SER N . 34449 1 510 . 1 . 1 41 41 THR H H 1 7.702 0.020 . 1 . . . . A 41 THR H . 34449 1 511 . 1 . 1 41 41 THR HA H 1 3.876 0.020 . 1 . . . . A 41 THR HA . 34449 1 512 . 1 . 1 41 41 THR HB H 1 4.330 0.020 . 1 . . . . A 41 THR HB . 34449 1 513 . 1 . 1 41 41 THR HG21 H 1 1.228 0.020 . 1 . . . . A 41 THR HG21 . 34449 1 514 . 1 . 1 41 41 THR HG22 H 1 1.228 0.020 . 1 . . . . A 41 THR HG22 . 34449 1 515 . 1 . 1 41 41 THR HG23 H 1 1.228 0.020 . 1 . . . . A 41 THR HG23 . 34449 1 516 . 1 . 1 41 41 THR C C 13 177.250 0.3 . 1 . . . . A 41 THR C . 34449 1 517 . 1 . 1 41 41 THR CA C 13 67.002 0.3 . 1 . . . . A 41 THR CA . 34449 1 518 . 1 . 1 41 41 THR CB C 13 68.421 0.3 . 1 . . . . A 41 THR CB . 34449 1 519 . 1 . 1 41 41 THR CG2 C 13 22.862 0.3 . 1 . . . . A 41 THR CG2 . 34449 1 520 . 1 . 1 41 41 THR N N 15 121.215 0.3 . 1 . . . . A 41 THR N . 34449 1 521 . 1 . 1 42 42 VAL H H 1 8.637 0.020 . 1 . . . . A 42 VAL H . 34449 1 522 . 1 . 1 42 42 VAL HA H 1 3.407 0.020 . 1 . . . . A 42 VAL HA . 34449 1 523 . 1 . 1 42 42 VAL HB H 1 2.154 0.020 . 1 . . . . A 42 VAL HB . 34449 1 524 . 1 . 1 42 42 VAL HG11 H 1 0.983 0.020 . 2 . . . . A 42 VAL HG11 . 34449 1 525 . 1 . 1 42 42 VAL HG12 H 1 0.983 0.020 . 2 . . . . A 42 VAL HG12 . 34449 1 526 . 1 . 1 42 42 VAL HG13 H 1 0.983 0.020 . 2 . . . . A 42 VAL HG13 . 34449 1 527 . 1 . 1 42 42 VAL HG21 H 1 1.091 0.020 . 2 . . . . A 42 VAL HG21 . 34449 1 528 . 1 . 1 42 42 VAL HG22 H 1 1.091 0.020 . 2 . . . . A 42 VAL HG22 . 34449 1 529 . 1 . 1 42 42 VAL HG23 H 1 1.091 0.020 . 2 . . . . A 42 VAL HG23 . 34449 1 530 . 1 . 1 42 42 VAL C C 13 177.846 0.3 . 1 . . . . A 42 VAL C . 34449 1 531 . 1 . 1 42 42 VAL CA C 13 68.172 0.3 . 1 . . . . A 42 VAL CA . 34449 1 532 . 1 . 1 42 42 VAL CB C 13 31.845 0.3 . 1 . . . . A 42 VAL CB . 34449 1 533 . 1 . 1 42 42 VAL CG1 C 13 24.908 0.3 . 1 . . . . A 42 VAL CG1 . 34449 1 534 . 1 . 1 42 42 VAL CG2 C 13 22.689 0.3 . 1 . . . . A 42 VAL CG2 . 34449 1 535 . 1 . 1 42 42 VAL N N 15 125.106 0.3 . 1 . . . . A 42 VAL N . 34449 1 536 . 1 . 1 43 43 ARG H H 1 8.764 0.020 . 1 . . . . A 43 ARG H . 34449 1 537 . 1 . 1 43 43 ARG HA H 1 3.632 0.020 . 1 . . . . A 43 ARG HA . 34449 1 538 . 1 . 1 43 43 ARG HB2 H 1 1.625 0.020 . 2 . . . . A 43 ARG HB2 . 34449 1 539 . 1 . 1 43 43 ARG HB3 H 1 1.524 0.020 . 2 . . . . A 43 ARG HB3 . 34449 1 540 . 1 . 1 43 43 ARG HG2 H 1 1.285 0.020 . 2 . . . . A 43 ARG HG2 . 34449 1 541 . 1 . 1 43 43 ARG HG3 H 1 0.567 0.020 . 2 . . . . A 43 ARG HG3 . 34449 1 542 . 1 . 1 43 43 ARG HD2 H 1 2.827 0.020 . 2 . . . . A 43 ARG HD2 . 34449 1 543 . 1 . 1 43 43 ARG HD3 H 1 2.780 0.020 . 2 . . . . A 43 ARG HD3 . 34449 1 544 . 1 . 1 43 43 ARG C C 13 179.385 0.3 . 1 . . . . A 43 ARG C . 34449 1 545 . 1 . 1 43 43 ARG CA C 13 60.870 0.3 . 1 . . . . A 43 ARG CA . 34449 1 546 . 1 . 1 43 43 ARG CB C 13 30.379 0.3 . 1 . . . . A 43 ARG CB . 34449 1 547 . 1 . 1 43 43 ARG CG C 13 28.337 0.3 . 1 . . . . A 43 ARG CG . 34449 1 548 . 1 . 1 43 43 ARG CD C 13 43.357 0.3 . 1 . . . . A 43 ARG CD . 34449 1 549 . 1 . 1 43 43 ARG N N 15 118.993 0.3 . 1 . . . . A 43 ARG N . 34449 1 550 . 1 . 1 44 44 ARG H H 1 7.728 0.020 . 1 . . . . A 44 ARG H . 34449 1 551 . 1 . 1 44 44 ARG HA H 1 3.940 0.020 . 1 . . . . A 44 ARG HA . 34449 1 552 . 1 . 1 44 44 ARG HB2 H 1 1.884 0.020 . 2 . . . . A 44 ARG HB2 . 34449 1 553 . 1 . 1 44 44 ARG HB3 H 1 1.837 0.020 . 2 . . . . A 44 ARG HB3 . 34449 1 554 . 1 . 1 44 44 ARG HG2 H 1 1.699 0.020 . 2 . . . . A 44 ARG HG2 . 34449 1 555 . 1 . 1 44 44 ARG HG3 H 1 1.546 0.020 . 2 . . . . A 44 ARG HG3 . 34449 1 556 . 1 . 1 44 44 ARG HD2 H 1 3.166 0.020 . 1 . . . . A 44 ARG HD2 . 34449 1 557 . 1 . 1 44 44 ARG HD3 H 1 3.166 0.020 . 1 . . . . A 44 ARG HD3 . 34449 1 558 . 1 . 1 44 44 ARG C C 13 179.385 0.3 . 1 . . . . A 44 ARG C . 34449 1 559 . 1 . 1 44 44 ARG CA C 13 59.918 0.3 . 1 . . . . A 44 ARG CA . 34449 1 560 . 1 . 1 44 44 ARG CB C 13 30.384 0.3 . 1 . . . . A 44 ARG CB . 34449 1 561 . 1 . 1 44 44 ARG CG C 13 28.028 0.3 . 1 . . . . A 44 ARG CG . 34449 1 562 . 1 . 1 44 44 ARG CD C 13 43.657 0.3 . 1 . . . . A 44 ARG CD . 34449 1 563 . 1 . 1 44 44 ARG N N 15 119.700 0.3 . 1 . . . . A 44 ARG N . 34449 1 564 . 1 . 1 45 45 SER H H 1 8.075 0.020 . 1 . . . . A 45 SER H . 34449 1 565 . 1 . 1 45 45 SER HA H 1 3.738 0.020 . 1 . . . . A 45 SER HA . 34449 1 566 . 1 . 1 45 45 SER HB2 H 1 3.439 0.020 . 2 . . . . A 45 SER HB2 . 34449 1 567 . 1 . 1 45 45 SER HB3 H 1 3.797 0.020 . 2 . . . . A 45 SER HB3 . 34449 1 568 . 1 . 1 45 45 SER C C 13 174.990 0.3 . 1 . . . . A 45 SER C . 34449 1 569 . 1 . 1 45 45 SER CA C 13 62.721 0.3 . 1 . . . . A 45 SER CA . 34449 1 570 . 1 . 1 45 45 SER CB C 13 63.220 0.3 . 1 . . . . A 45 SER CB . 34449 1 571 . 1 . 1 45 45 SER N N 15 117.104 0.3 . 1 . . . . A 45 SER N . 34449 1 572 . 1 . 1 46 46 ILE H H 1 8.396 0.020 . 1 . . . . A 46 ILE H . 34449 1 573 . 1 . 1 46 46 ILE HA H 1 3.514 0.020 . 1 . . . . A 46 ILE HA . 34449 1 574 . 1 . 1 46 46 ILE HB H 1 2.076 0.020 . 1 . . . . A 46 ILE HB . 34449 1 575 . 1 . 1 46 46 ILE HG12 H 1 0.974 0.020 . 2 . . . . A 46 ILE HG12 . 34449 1 576 . 1 . 1 46 46 ILE HG13 H 1 1.529 0.020 . 2 . . . . A 46 ILE HG13 . 34449 1 577 . 1 . 1 46 46 ILE HG21 H 1 -0.095 0.020 . 1 . . . . A 46 ILE HG21 . 34449 1 578 . 1 . 1 46 46 ILE HG22 H 1 -0.095 0.020 . 1 . . . . A 46 ILE HG22 . 34449 1 579 . 1 . 1 46 46 ILE HG23 H 1 -0.095 0.020 . 1 . . . . A 46 ILE HG23 . 34449 1 580 . 1 . 1 46 46 ILE HD11 H 1 0.402 0.020 . 1 . . . . A 46 ILE HD11 . 34449 1 581 . 1 . 1 46 46 ILE HD12 H 1 0.402 0.020 . 1 . . . . A 46 ILE HD12 . 34449 1 582 . 1 . 1 46 46 ILE HD13 H 1 0.402 0.020 . 1 . . . . A 46 ILE HD13 . 34449 1 583 . 1 . 1 46 46 ILE C C 13 177.150 0.3 . 1 . . . . A 46 ILE C . 34449 1 584 . 1 . 1 46 46 ILE CA C 13 62.579 0.3 . 1 . . . . A 46 ILE CA . 34449 1 585 . 1 . 1 46 46 ILE CB C 13 34.927 0.3 . 1 . . . . A 46 ILE CB . 34449 1 586 . 1 . 1 46 46 ILE CG1 C 13 27.652 0.3 . 1 . . . . A 46 ILE CG1 . 34449 1 587 . 1 . 1 46 46 ILE CG2 C 13 16.293 0.3 . 1 . . . . A 46 ILE CG2 . 34449 1 588 . 1 . 1 46 46 ILE CD1 C 13 9.453 0.3 . 1 . . . . A 46 ILE CD1 . 34449 1 589 . 1 . 1 46 46 ILE N N 15 121.494 0.3 . 1 . . . . A 46 ILE N . 34449 1 590 . 1 . 1 47 47 LYS H H 1 7.790 0.020 . 1 . . . . A 47 LYS H . 34449 1 591 . 1 . 1 47 47 LYS HA H 1 3.902 0.020 . 1 . . . . A 47 LYS HA . 34449 1 592 . 1 . 1 47 47 LYS HB2 H 1 1.876 0.020 . 1 . . . . A 47 LYS HB2 . 34449 1 593 . 1 . 1 47 47 LYS HB3 H 1 1.876 0.020 . 1 . . . . A 47 LYS HB3 . 34449 1 594 . 1 . 1 47 47 LYS HG2 H 1 1.370 0.020 . 2 . . . . A 47 LYS HG2 . 34449 1 595 . 1 . 1 47 47 LYS HG3 H 1 1.488 0.020 . 2 . . . . A 47 LYS HG3 . 34449 1 596 . 1 . 1 47 47 LYS HD2 H 1 1.610 0.020 . 2 . . . . A 47 LYS HD2 . 34449 1 597 . 1 . 1 47 47 LYS HD3 H 1 1.656 0.020 . 2 . . . . A 47 LYS HD3 . 34449 1 598 . 1 . 1 47 47 LYS HE2 H 1 2.974 0.020 . 1 . . . . A 47 LYS HE2 . 34449 1 599 . 1 . 1 47 47 LYS HE3 H 1 2.974 0.020 . 1 . . . . A 47 LYS HE3 . 34449 1 600 . 1 . 1 47 47 LYS C C 13 179.286 0.3 . 1 . . . . A 47 LYS C . 34449 1 601 . 1 . 1 47 47 LYS CA C 13 60.699 0.3 . 1 . . . . A 47 LYS CA . 34449 1 602 . 1 . 1 47 47 LYS CB C 13 32.405 0.3 . 1 . . . . A 47 LYS CB . 34449 1 603 . 1 . 1 47 47 LYS CG C 13 25.236 0.3 . 1 . . . . A 47 LYS CG . 34449 1 604 . 1 . 1 47 47 LYS CD C 13 29.609 0.3 . 1 . . . . A 47 LYS CD . 34449 1 605 . 1 . 1 47 47 LYS CE C 13 42.558 0.3 . 1 . . . . A 47 LYS CE . 34449 1 606 . 1 . 1 47 47 LYS N N 15 119.940 0.3 . 1 . . . . A 47 LYS N . 34449 1 607 . 1 . 1 48 48 LYS H H 1 7.227 0.020 . 1 . . . . A 48 LYS H . 34449 1 608 . 1 . 1 48 48 LYS HA H 1 4.082 0.020 . 1 . . . . A 48 LYS HA . 34449 1 609 . 1 . 1 48 48 LYS HB2 H 1 1.689 0.020 . 2 . . . . A 48 LYS HB2 . 34449 1 610 . 1 . 1 48 48 LYS HB3 H 1 1.615 0.020 . 2 . . . . A 48 LYS HB3 . 34449 1 611 . 1 . 1 48 48 LYS HG2 H 1 1.419 0.020 . 2 . . . . A 48 LYS HG2 . 34449 1 612 . 1 . 1 48 48 LYS HG3 H 1 1.208 0.020 . 2 . . . . A 48 LYS HG3 . 34449 1 613 . 1 . 1 48 48 LYS HD2 H 1 1.549 0.020 . 1 . . . . A 48 LYS HD2 . 34449 1 614 . 1 . 1 48 48 LYS HD3 H 1 1.549 0.020 . 1 . . . . A 48 LYS HD3 . 34449 1 615 . 1 . 1 48 48 LYS HE2 H 1 2.816 0.020 . 1 . . . . A 48 LYS HE2 . 34449 1 616 . 1 . 1 48 48 LYS HE3 H 1 2.816 0.020 . 1 . . . . A 48 LYS HE3 . 34449 1 617 . 1 . 1 48 48 LYS C C 13 179.435 0.3 . 1 . . . . A 48 LYS C . 34449 1 618 . 1 . 1 48 48 LYS CA C 13 58.909 0.3 . 1 . . . . A 48 LYS CA . 34449 1 619 . 1 . 1 48 48 LYS CB C 13 31.944 0.3 . 1 . . . . A 48 LYS CB . 34449 1 620 . 1 . 1 48 48 LYS CG C 13 24.878 0.3 . 1 . . . . A 48 LYS CG . 34449 1 621 . 1 . 1 48 48 LYS CD C 13 29.439 0.3 . 1 . . . . A 48 LYS CD . 34449 1 622 . 1 . 1 48 48 LYS CE C 13 42.111 0.3 . 1 . . . . A 48 LYS CE . 34449 1 623 . 1 . 1 48 48 LYS N N 15 119.597 0.3 . 1 . . . . A 48 LYS N . 34449 1 624 . 1 . 1 49 49 PHE H H 1 8.477 0.020 . 1 . . . . A 49 PHE H . 34449 1 625 . 1 . 1 49 49 PHE HA H 1 4.614 0.020 . 1 . . . . A 49 PHE HA . 34449 1 626 . 1 . 1 49 49 PHE HB2 H 1 3.112 0.020 . 2 . . . . A 49 PHE HB2 . 34449 1 627 . 1 . 1 49 49 PHE HB3 H 1 3.313 0.020 . 2 . . . . A 49 PHE HB3 . 34449 1 628 . 1 . 1 49 49 PHE HD1 H 1 6.967 0.020 . 1 . . . . A 49 PHE HD1 . 34449 1 629 . 1 . 1 49 49 PHE HD2 H 1 6.967 0.020 . 1 . . . . A 49 PHE HD2 . 34449 1 630 . 1 . 1 49 49 PHE HE1 H 1 7.302 0.020 . 1 . . . . A 49 PHE HE1 . 34449 1 631 . 1 . 1 49 49 PHE HE2 H 1 7.302 0.020 . 1 . . . . A 49 PHE HE2 . 34449 1 632 . 1 . 1 49 49 PHE HZ H 1 7.015 0.020 . 1 . . . . A 49 PHE HZ . 34449 1 633 . 1 . 1 49 49 PHE C C 13 179.286 0.3 . 1 . . . . A 49 PHE C . 34449 1 634 . 1 . 1 49 49 PHE CA C 13 57.893 0.3 . 1 . . . . A 49 PHE CA . 34449 1 635 . 1 . 1 49 49 PHE CB C 13 38.513 0.3 . 1 . . . . A 49 PHE CB . 34449 1 636 . 1 . 1 49 49 PHE CD1 C 13 130.490 0.3 . 3 . . . . A 49 PHE CD1 . 34449 1 637 . 1 . 1 49 49 PHE CD2 C 13 130.490 0.3 . 3 . . . . A 49 PHE CD2 . 34449 1 638 . 1 . 1 49 49 PHE CE1 C 13 131.537 0.3 . 3 . . . . A 49 PHE CE1 . 34449 1 639 . 1 . 1 49 49 PHE CE2 C 13 131.537 0.3 . 3 . . . . A 49 PHE CE2 . 34449 1 640 . 1 . 1 49 49 PHE CZ C 13 130.521 0.3 . 1 . . . . A 49 PHE CZ . 34449 1 641 . 1 . 1 49 49 PHE N N 15 118.199 0.3 . 1 . . . . A 49 PHE N . 34449 1 642 . 1 . 1 50 50 LEU H H 1 9.292 0.020 . 1 . . . . A 50 LEU H . 34449 1 643 . 1 . 1 50 50 LEU HA H 1 4.328 0.020 . 1 . . . . A 50 LEU HA . 34449 1 644 . 1 . 1 50 50 LEU HB2 H 1 2.060 0.020 . 2 . . . . A 50 LEU HB2 . 34449 1 645 . 1 . 1 50 50 LEU HB3 H 1 1.576 0.020 . 2 . . . . A 50 LEU HB3 . 34449 1 646 . 1 . 1 50 50 LEU HG H 1 1.636 0.020 . 1 . . . . A 50 LEU HG . 34449 1 647 . 1 . 1 50 50 LEU HD11 H 1 0.999 0.020 . 2 . . . . A 50 LEU HD11 . 34449 1 648 . 1 . 1 50 50 LEU HD12 H 1 0.999 0.020 . 2 . . . . A 50 LEU HD12 . 34449 1 649 . 1 . 1 50 50 LEU HD13 H 1 0.999 0.020 . 2 . . . . A 50 LEU HD13 . 34449 1 650 . 1 . 1 50 50 LEU HD21 H 1 0.975 0.020 . 2 . . . . A 50 LEU HD21 . 34449 1 651 . 1 . 1 50 50 LEU HD22 H 1 0.975 0.020 . 2 . . . . A 50 LEU HD22 . 34449 1 652 . 1 . 1 50 50 LEU HD23 H 1 0.975 0.020 . 2 . . . . A 50 LEU HD23 . 34449 1 653 . 1 . 1 50 50 LEU C C 13 181.720 0.3 . 1 . . . . A 50 LEU C . 34449 1 654 . 1 . 1 50 50 LEU CA C 13 58.219 0.3 . 1 . . . . A 50 LEU CA . 34449 1 655 . 1 . 1 50 50 LEU CB C 13 42.722 0.3 . 1 . . . . A 50 LEU CB . 34449 1 656 . 1 . 1 50 50 LEU CG C 13 26.915 0.3 . 1 . . . . A 50 LEU CG . 34449 1 657 . 1 . 1 50 50 LEU CD1 C 13 23.967 0.3 . 1 . . . . A 50 LEU CD1 . 34449 1 658 . 1 . 1 50 50 LEU CD2 C 13 26.921 0.3 . 1 . . . . A 50 LEU CD2 . 34449 1 659 . 1 . 1 50 50 LEU N N 15 126.143 0.3 . 1 . . . . A 50 LEU N . 34449 1 660 . 1 . 1 51 51 GLU H H 1 7.547 0.020 . 1 . . . . A 51 GLU H . 34449 1 661 . 1 . 1 51 51 GLU HA H 1 4.053 0.020 . 1 . . . . A 51 GLU HA . 34449 1 662 . 1 . 1 51 51 GLU HB2 H 1 2.263 0.020 . 2 . . . . A 51 GLU HB2 . 34449 1 663 . 1 . 1 51 51 GLU HB3 H 1 2.141 0.020 . 2 . . . . A 51 GLU HB3 . 34449 1 664 . 1 . 1 51 51 GLU HG2 H 1 2.485 0.020 . 2 . . . . A 51 GLU HG2 . 34449 1 665 . 1 . 1 51 51 GLU HG3 H 1 2.256 0.020 . 2 . . . . A 51 GLU HG3 . 34449 1 666 . 1 . 1 51 51 GLU C C 13 179.336 0.3 . 1 . . . . A 51 GLU C . 34449 1 667 . 1 . 1 51 51 GLU CA C 13 59.768 0.3 . 1 . . . . A 51 GLU CA . 34449 1 668 . 1 . 1 51 51 GLU CB C 13 29.582 0.3 . 1 . . . . A 51 GLU CB . 34449 1 669 . 1 . 1 51 51 GLU CG C 13 36.481 0.3 . 1 . . . . A 51 GLU CG . 34449 1 670 . 1 . 1 51 51 GLU N N 15 122.853 0.3 . 1 . . . . A 51 GLU N . 34449 1 671 . 1 . 1 52 52 LEU H H 1 7.589 0.020 . 1 . . . . A 52 LEU H . 34449 1 672 . 1 . 1 52 52 LEU HA H 1 4.028 0.020 . 1 . . . . A 52 LEU HA . 34449 1 673 . 1 . 1 52 52 LEU HB2 H 1 0.959 0.020 . 2 . . . . A 52 LEU HB2 . 34449 1 674 . 1 . 1 52 52 LEU HB3 H 1 0.595 0.020 . 2 . . . . A 52 LEU HB3 . 34449 1 675 . 1 . 1 52 52 LEU HG H 1 1.663 0.020 . 1 . . . . A 52 LEU HG . 34449 1 676 . 1 . 1 52 52 LEU HD11 H 1 0.833 0.020 . 2 . . . . A 52 LEU HD11 . 34449 1 677 . 1 . 1 52 52 LEU HD12 H 1 0.833 0.020 . 2 . . . . A 52 LEU HD12 . 34449 1 678 . 1 . 1 52 52 LEU HD13 H 1 0.833 0.020 . 2 . . . . A 52 LEU HD13 . 34449 1 679 . 1 . 1 52 52 LEU HD21 H 1 0.789 0.020 . 2 . . . . A 52 LEU HD21 . 34449 1 680 . 1 . 1 52 52 LEU HD22 H 1 0.789 0.020 . 2 . . . . A 52 LEU HD22 . 34449 1 681 . 1 . 1 52 52 LEU HD23 H 1 0.789 0.020 . 2 . . . . A 52 LEU HD23 . 34449 1 682 . 1 . 1 52 52 LEU C C 13 175.338 0.3 . 1 . . . . A 52 LEU C . 34449 1 683 . 1 . 1 52 52 LEU CA C 13 55.297 0.3 . 1 . . . . A 52 LEU CA . 34449 1 684 . 1 . 1 52 52 LEU CB C 13 41.953 0.3 . 1 . . . . A 52 LEU CB . 34449 1 685 . 1 . 1 52 52 LEU CG C 13 27.093 0.3 . 1 . . . . A 52 LEU CG . 34449 1 686 . 1 . 1 52 52 LEU CD1 C 13 22.723 0.3 . 1 . . . . A 52 LEU CD1 . 34449 1 687 . 1 . 1 52 52 LEU CD2 C 13 22.560 0.3 . 1 . . . . A 52 LEU CD2 . 34449 1 688 . 1 . 1 52 52 LEU N N 15 117.549 0.3 . 1 . . . . A 52 LEU N . 34449 1 689 . 1 . 1 53 53 GLN H H 1 7.633 0.020 . 1 . . . . A 53 GLN H . 34449 1 690 . 1 . 1 53 53 GLN HA H 1 4.136 0.020 . 1 . . . . A 53 GLN HA . 34449 1 691 . 1 . 1 53 53 GLN HB2 H 1 2.382 0.020 . 2 . . . . A 53 GLN HB2 . 34449 1 692 . 1 . 1 53 53 GLN HB3 H 1 2.421 0.020 . 2 . . . . A 53 GLN HB3 . 34449 1 693 . 1 . 1 53 53 GLN HG2 H 1 2.291 0.020 . 1 . . . . A 53 GLN HG2 . 34449 1 694 . 1 . 1 53 53 GLN HG3 H 1 2.291 0.020 . 1 . . . . A 53 GLN HG3 . 34449 1 695 . 1 . 1 53 53 GLN HE21 H 1 6.884 0.020 . 1 . . . . A 53 GLN HE21 . 34449 1 696 . 1 . 1 53 53 GLN HE22 H 1 7.552 0.020 . 1 . . . . A 53 GLN HE22 . 34449 1 697 . 1 . 1 53 53 GLN C C 13 177.002 0.3 . 1 . . . . A 53 GLN C . 34449 1 698 . 1 . 1 53 53 GLN CA C 13 57.601 0.3 . 1 . . . . A 53 GLN CA . 34449 1 699 . 1 . 1 53 53 GLN CB C 13 25.993 0.3 . 1 . . . . A 53 GLN CB . 34449 1 700 . 1 . 1 53 53 GLN CG C 13 34.605 0.3 . 1 . . . . A 53 GLN CG . 34449 1 701 . 1 . 1 53 53 GLN N N 15 111.014 0.3 . 1 . . . . A 53 GLN N . 34449 1 702 . 1 . 1 54 54 TYR H H 1 8.539 0.020 . 1 . . . . A 54 TYR H . 34449 1 703 . 1 . 1 54 54 TYR HA H 1 4.524 0.020 . 1 . . . . A 54 TYR HA . 34449 1 704 . 1 . 1 54 54 TYR HB2 H 1 2.818 0.020 . 2 . . . . A 54 TYR HB2 . 34449 1 705 . 1 . 1 54 54 TYR HB3 H 1 3.087 0.020 . 2 . . . . A 54 TYR HB3 . 34449 1 706 . 1 . 1 54 54 TYR HD1 H 1 6.629 0.020 . 1 . . . . A 54 TYR HD1 . 34449 1 707 . 1 . 1 54 54 TYR HD2 H 1 6.629 0.020 . 1 . . . . A 54 TYR HD2 . 34449 1 708 . 1 . 1 54 54 TYR HE1 H 1 6.892 0.020 . 1 . . . . A 54 TYR HE1 . 34449 1 709 . 1 . 1 54 54 TYR HE2 H 1 6.892 0.020 . 1 . . . . A 54 TYR HE2 . 34449 1 710 . 1 . 1 54 54 TYR C C 13 176.157 0.3 . 1 . . . . A 54 TYR C . 34449 1 711 . 1 . 1 54 54 TYR CA C 13 55.681 0.3 . 1 . . . . A 54 TYR CA . 34449 1 712 . 1 . 1 54 54 TYR CB C 13 38.812 0.3 . 1 . . . . A 54 TYR CB . 34449 1 713 . 1 . 1 54 54 TYR CD1 C 13 130.591 0.3 . 3 . . . . A 54 TYR CD1 . 34449 1 714 . 1 . 1 54 54 TYR CD2 C 13 130.591 0.3 . 3 . . . . A 54 TYR CD2 . 34449 1 715 . 1 . 1 54 54 TYR CE1 C 13 119.112 0.3 . 3 . . . . A 54 TYR CE1 . 34449 1 716 . 1 . 1 54 54 TYR CE2 C 13 119.112 0.3 . 3 . . . . A 54 TYR CE2 . 34449 1 717 . 1 . 1 54 54 TYR N N 15 118.766 0.3 . 1 . . . . A 54 TYR N . 34449 1 718 . 1 . 1 55 55 VAL H H 1 7.283 0.020 . 1 . . . . A 55 VAL H . 34449 1 719 . 1 . 1 55 55 VAL HA H 1 5.214 0.020 . 1 . . . . A 55 VAL HA . 34449 1 720 . 1 . 1 55 55 VAL HB H 1 1.952 0.020 . 1 . . . . A 55 VAL HB . 34449 1 721 . 1 . 1 55 55 VAL HG11 H 1 0.675 0.020 . 2 . . . . A 55 VAL HG11 . 34449 1 722 . 1 . 1 55 55 VAL HG12 H 1 0.675 0.020 . 2 . . . . A 55 VAL HG12 . 34449 1 723 . 1 . 1 55 55 VAL HG13 H 1 0.675 0.020 . 2 . . . . A 55 VAL HG13 . 34449 1 724 . 1 . 1 55 55 VAL HG21 H 1 0.777 0.020 . 2 . . . . A 55 VAL HG21 . 34449 1 725 . 1 . 1 55 55 VAL HG22 H 1 0.777 0.020 . 2 . . . . A 55 VAL HG22 . 34449 1 726 . 1 . 1 55 55 VAL HG23 H 1 0.777 0.020 . 2 . . . . A 55 VAL HG23 . 34449 1 727 . 1 . 1 55 55 VAL C C 13 173.649 0.3 . 1 . . . . A 55 VAL C . 34449 1 728 . 1 . 1 55 55 VAL CA C 13 58.508 0.3 . 1 . . . . A 55 VAL CA . 34449 1 729 . 1 . 1 55 55 VAL CB C 13 36.790 0.3 . 1 . . . . A 55 VAL CB . 34449 1 730 . 1 . 1 55 55 VAL CG1 C 13 20.854 0.3 . 1 . . . . A 55 VAL CG1 . 34449 1 731 . 1 . 1 55 55 VAL CG2 C 13 22.885 0.3 . 1 . . . . A 55 VAL CG2 . 34449 1 732 . 1 . 1 55 55 VAL N N 15 111.271 0.3 . 1 . . . . A 55 VAL N . 34449 1 733 . 1 . 1 56 56 LYS H H 1 8.122 0.020 . 1 . . . . A 56 LYS H . 34449 1 734 . 1 . 1 56 56 LYS HA H 1 4.297 0.020 . 1 . . . . A 56 LYS HA . 34449 1 735 . 1 . 1 56 56 LYS HB2 H 1 1.388 0.020 . 2 . . . . A 56 LYS HB2 . 34449 1 736 . 1 . 1 56 56 LYS HB3 H 1 0.677 0.020 . 2 . . . . A 56 LYS HB3 . 34449 1 737 . 1 . 1 56 56 LYS HG2 H 1 1.434 0.020 . 2 . . . . A 56 LYS HG2 . 34449 1 738 . 1 . 1 56 56 LYS HG3 H 1 1.212 0.020 . 2 . . . . A 56 LYS HG3 . 34449 1 739 . 1 . 1 56 56 LYS HD2 H 1 1.663 0.020 . 1 . . . . A 56 LYS HD2 . 34449 1 740 . 1 . 1 56 56 LYS HD3 H 1 1.663 0.020 . 1 . . . . A 56 LYS HD3 . 34449 1 741 . 1 . 1 56 56 LYS HE2 H 1 3.059 0.020 . 1 . . . . A 56 LYS HE2 . 34449 1 742 . 1 . 1 56 56 LYS HE3 H 1 3.059 0.020 . 1 . . . . A 56 LYS HE3 . 34449 1 743 . 1 . 1 56 56 LYS C C 13 174.096 0.3 . 1 . . . . A 56 LYS C . 34449 1 744 . 1 . 1 56 56 LYS CA C 13 55.297 0.3 . 1 . . . . A 56 LYS CA . 34449 1 745 . 1 . 1 56 56 LYS CB C 13 38.520 0.3 . 1 . . . . A 56 LYS CB . 34449 1 746 . 1 . 1 56 56 LYS CG C 13 26.948 0.3 . 1 . . . . A 56 LYS CG . 34449 1 747 . 1 . 1 56 56 LYS CD C 13 29.760 0.3 . 1 . . . . A 56 LYS CD . 34449 1 748 . 1 . 1 56 56 LYS CE C 13 42.564 0.3 . 1 . . . . A 56 LYS CE . 34449 1 749 . 1 . 1 56 56 LYS N N 15 122.343 0.3 . 1 . . . . A 56 LYS N . 34449 1 750 . 1 . 1 57 57 GLU H H 1 8.487 0.020 . 1 . . . . A 57 GLU H . 34449 1 751 . 1 . 1 57 57 GLU HA H 1 4.814 0.020 . 1 . . . . A 57 GLU HA . 34449 1 752 . 1 . 1 57 57 GLU HB2 H 1 2.035 0.020 . 2 . . . . A 57 GLU HB2 . 34449 1 753 . 1 . 1 57 57 GLU HB3 H 1 1.900 0.020 . 2 . . . . A 57 GLU HB3 . 34449 1 754 . 1 . 1 57 57 GLU HG2 H 1 2.333 0.020 . 1 . . . . A 57 GLU HG2 . 34449 1 755 . 1 . 1 57 57 GLU HG3 H 1 2.333 0.020 . 1 . . . . A 57 GLU HG3 . 34449 1 756 . 1 . 1 57 57 GLU C C 13 178.740 0.3 . 1 . . . . A 57 GLU C . 34449 1 757 . 1 . 1 57 57 GLU CA C 13 56.376 0.3 . 1 . . . . A 57 GLU CA . 34449 1 758 . 1 . 1 57 57 GLU CB C 13 31.155 0.3 . 1 . . . . A 57 GLU CB . 34449 1 759 . 1 . 1 57 57 GLU CG C 13 38.003 0.3 . 1 . . . . A 57 GLU CG . 34449 1 760 . 1 . 1 57 57 GLU N N 15 120.912 0.3 . 1 . . . . A 57 GLU N . 34449 1 761 . 1 . 1 58 58 GLY H H 1 8.131 0.020 . 1 . . . . A 58 GLY H . 34449 1 762 . 1 . 1 58 58 GLY HA2 H 1 4.545 0.020 . 2 . . . . A 58 GLY HA2 . 34449 1 763 . 1 . 1 58 58 GLY HA3 H 1 3.642 0.020 . 2 . . . . A 58 GLY HA3 . 34449 1 764 . 1 . 1 58 58 GLY C C 13 174.518 0.3 . 1 . . . . A 58 GLY C . 34449 1 765 . 1 . 1 58 58 GLY CA C 13 43.569 0.3 . 1 . . . . A 58 GLY CA . 34449 1 766 . 1 . 1 58 58 GLY N N 15 112.167 0.3 . 1 . . . . A 58 GLY N . 34449 1 767 . 1 . 1 59 59 CYS H H 1 8.320 0.020 . 1 . . . . A 59 CYS H . 34449 1 768 . 1 . 1 59 59 CYS HA H 1 4.229 0.020 . 1 . . . . A 59 CYS HA . 34449 1 769 . 1 . 1 59 59 CYS HB2 H 1 2.644 0.020 . 2 . . . . A 59 CYS HB2 . 34449 1 770 . 1 . 1 59 59 CYS HB3 H 1 2.939 0.020 . 2 . . . . A 59 CYS HB3 . 34449 1 771 . 1 . 1 59 59 CYS C C 13 176.480 0.3 . 1 . . . . A 59 CYS C . 34449 1 772 . 1 . 1 59 59 CYS CA C 13 59.903 0.3 . 1 . . . . A 59 CYS CA . 34449 1 773 . 1 . 1 59 59 CYS CB C 13 27.450 0.3 . 1 . . . . A 59 CYS CB . 34449 1 774 . 1 . 1 59 59 CYS N N 15 121.072 0.3 . 1 . . . . A 59 CYS N . 34449 1 775 . 1 . 1 60 60 LYS H H 1 8.803 0.020 . 1 . . . . A 60 LYS H . 34449 1 776 . 1 . 1 60 60 LYS HA H 1 4.163 0.020 . 1 . . . . A 60 LYS HA . 34449 1 777 . 1 . 1 60 60 LYS HB2 H 1 1.630 0.020 . 1 . . . . A 60 LYS HB2 . 34449 1 778 . 1 . 1 60 60 LYS HB3 H 1 1.630 0.020 . 1 . . . . A 60 LYS HB3 . 34449 1 779 . 1 . 1 60 60 LYS HG2 H 1 1.408 0.020 . 2 . . . . A 60 LYS HG2 . 34449 1 780 . 1 . 1 60 60 LYS HG3 H 1 1.332 0.020 . 2 . . . . A 60 LYS HG3 . 34449 1 781 . 1 . 1 60 60 LYS HD2 H 1 1.559 0.020 . 1 . . . . A 60 LYS HD2 . 34449 1 782 . 1 . 1 60 60 LYS HD3 H 1 1.559 0.020 . 1 . . . . A 60 LYS HD3 . 34449 1 783 . 1 . 1 60 60 LYS HE2 H 1 2.925 0.020 . 2 . . . . A 60 LYS HE2 . 34449 1 784 . 1 . 1 60 60 LYS HE3 H 1 2.874 0.020 . 2 . . . . A 60 LYS HE3 . 34449 1 785 . 1 . 1 60 60 LYS C C 13 177.101 0.3 . 1 . . . . A 60 LYS C . 34449 1 786 . 1 . 1 60 60 LYS CA C 13 58.205 0.3 . 1 . . . . A 60 LYS CA . 34449 1 787 . 1 . 1 60 60 LYS CB C 13 33.275 0.3 . 1 . . . . A 60 LYS CB . 34449 1 788 . 1 . 1 60 60 LYS CG C 13 25.689 0.3 . 1 . . . . A 60 LYS CG . 34449 1 789 . 1 . 1 60 60 LYS CD C 13 29.614 0.3 . 1 . . . . A 60 LYS CD . 34449 1 790 . 1 . 1 60 60 LYS CE C 13 42.389 0.3 . 1 . . . . A 60 LYS CE . 34449 1 791 . 1 . 1 60 60 LYS N N 15 128.427 0.3 . 1 . . . . A 60 LYS N . 34449 1 792 . 1 . 1 61 61 GLN H H 1 8.236 0.020 . 1 . . . . A 61 GLN H . 34449 1 793 . 1 . 1 61 61 GLN HA H 1 4.493 0.020 . 1 . . . . A 61 GLN HA . 34449 1 794 . 1 . 1 61 61 GLN HB2 H 1 1.929 0.020 . 2 . . . . A 61 GLN HB2 . 34449 1 795 . 1 . 1 61 61 GLN HB3 H 1 1.580 0.020 . 2 . . . . A 61 GLN HB3 . 34449 1 796 . 1 . 1 61 61 GLN HG2 H 1 2.295 0.020 . 1 . . . . A 61 GLN HG2 . 34449 1 797 . 1 . 1 61 61 GLN HG3 H 1 2.295 0.020 . 1 . . . . A 61 GLN HG3 . 34449 1 798 . 1 . 1 61 61 GLN HE21 H 1 6.823 0.020 . 1 . . . . A 61 GLN HE21 . 34449 1 799 . 1 . 1 61 61 GLN HE22 H 1 7.633 0.020 . 1 . . . . A 61 GLN HE22 . 34449 1 800 . 1 . 1 61 61 GLN C C 13 176.430 0.3 . 1 . . . . A 61 GLN C . 34449 1 801 . 1 . 1 61 61 GLN CA C 13 54.406 0.3 . 1 . . . . A 61 GLN CA . 34449 1 802 . 1 . 1 61 61 GLN CB C 13 29.264 0.3 . 1 . . . . A 61 GLN CB . 34449 1 803 . 1 . 1 61 61 GLN CG C 13 33.977 0.3 . 1 . . . . A 61 GLN CG . 34449 1 804 . 1 . 1 61 61 GLN N N 15 123.790 0.3 . 1 . . . . A 61 GLN N . 34449 1 805 . 1 . 1 62 62 GLY H H 1 8.755 0.020 . 1 . . . . A 62 GLY H . 34449 1 806 . 1 . 1 62 62 GLY HA2 H 1 4.152 0.020 . 2 . . . . A 62 GLY HA2 . 34449 1 807 . 1 . 1 62 62 GLY HA3 H 1 3.600 0.020 . 2 . . . . A 62 GLY HA3 . 34449 1 808 . 1 . 1 62 62 GLY C C 13 175.536 0.3 . 1 . . . . A 62 GLY C . 34449 1 809 . 1 . 1 62 62 GLY CA C 13 47.048 0.3 . 1 . . . . A 62 GLY CA . 34449 1 810 . 1 . 1 62 62 GLY N N 15 116.910 0.3 . 1 . . . . A 62 GLY N . 34449 1 811 . 1 . 1 63 63 ILE H H 1 8.511 0.020 . 1 . . . . A 63 ILE H . 34449 1 812 . 1 . 1 63 63 ILE HA H 1 4.406 0.020 . 1 . . . . A 63 ILE HA . 34449 1 813 . 1 . 1 63 63 ILE HB H 1 2.185 0.020 . 1 . . . . A 63 ILE HB . 34449 1 814 . 1 . 1 63 63 ILE HG12 H 1 1.346 0.020 . 2 . . . . A 63 ILE HG12 . 34449 1 815 . 1 . 1 63 63 ILE HG13 H 1 1.251 0.020 . 2 . . . . A 63 ILE HG13 . 34449 1 816 . 1 . 1 63 63 ILE HG21 H 1 0.960 0.020 . 1 . . . . A 63 ILE HG21 . 34449 1 817 . 1 . 1 63 63 ILE HG22 H 1 0.960 0.020 . 1 . . . . A 63 ILE HG22 . 34449 1 818 . 1 . 1 63 63 ILE HG23 H 1 0.960 0.020 . 1 . . . . A 63 ILE HG23 . 34449 1 819 . 1 . 1 63 63 ILE HD11 H 1 0.918 0.020 . 1 . . . . A 63 ILE HD11 . 34449 1 820 . 1 . 1 63 63 ILE HD12 H 1 0.918 0.020 . 1 . . . . A 63 ILE HD12 . 34449 1 821 . 1 . 1 63 63 ILE HD13 H 1 0.918 0.020 . 1 . . . . A 63 ILE HD13 . 34449 1 822 . 1 . 1 63 63 ILE C C 13 177.573 0.3 . 1 . . . . A 63 ILE C . 34449 1 823 . 1 . 1 63 63 ILE CA C 13 61.808 0.3 . 1 . . . . A 63 ILE CA . 34449 1 824 . 1 . 1 63 63 ILE CB C 13 38.812 0.3 . 1 . . . . A 63 ILE CB . 34449 1 825 . 1 . 1 63 63 ILE CG1 C 13 26.794 0.3 . 1 . . . . A 63 ILE CG1 . 34449 1 826 . 1 . 1 63 63 ILE CG2 C 13 18.457 0.3 . 1 . . . . A 63 ILE CG2 . 34449 1 827 . 1 . 1 63 63 ILE CD1 C 13 14.505 0.3 . 1 . . . . A 63 ILE CD1 . 34449 1 828 . 1 . 1 63 63 ILE N N 15 122.175 0.3 . 1 . . . . A 63 ILE N . 34449 1 829 . 1 . 1 64 64 SER H H 1 8.215 0.020 . 1 . . . . A 64 SER H . 34449 1 830 . 1 . 1 64 64 SER HA H 1 4.628 0.020 . 1 . . . . A 64 SER HA . 34449 1 831 . 1 . 1 64 64 SER HB2 H 1 4.055 0.020 . 2 . . . . A 64 SER HB2 . 34449 1 832 . 1 . 1 64 64 SER HB3 H 1 4.138 0.020 . 2 . . . . A 64 SER HB3 . 34449 1 833 . 1 . 1 64 64 SER C C 13 173.401 0.3 . 1 . . . . A 64 SER C . 34449 1 834 . 1 . 1 64 64 SER CA C 13 59.463 0.3 . 1 . . . . A 64 SER CA . 34449 1 835 . 1 . 1 64 64 SER CB C 13 64.399 0.3 . 1 . . . . A 64 SER CB . 34449 1 836 . 1 . 1 64 64 SER N N 15 120.573 0.3 . 1 . . . . A 64 SER N . 34449 1 837 . 1 . 1 65 65 LYS H H 1 8.356 0.020 . 1 . . . . A 65 LYS H . 34449 1 838 . 1 . 1 65 65 LYS HA H 1 4.359 0.020 . 1 . . . . A 65 LYS HA . 34449 1 839 . 1 . 1 65 65 LYS HB2 H 1 1.325 0.020 . 2 . . . . A 65 LYS HB2 . 34449 1 840 . 1 . 1 65 65 LYS HB3 H 1 1.463 0.020 . 2 . . . . A 65 LYS HB3 . 34449 1 841 . 1 . 1 65 65 LYS HG2 H 1 1.651 0.020 . 1 . . . . A 65 LYS HG2 . 34449 1 842 . 1 . 1 65 65 LYS HG3 H 1 1.651 0.020 . 1 . . . . A 65 LYS HG3 . 34449 1 843 . 1 . 1 65 65 LYS HD2 H 1 1.871 0.020 . 2 . . . . A 65 LYS HD2 . 34449 1 844 . 1 . 1 65 65 LYS HD3 H 1 1.670 0.020 . 2 . . . . A 65 LYS HD3 . 34449 1 845 . 1 . 1 65 65 LYS HE2 H 1 3.087 0.020 . 2 . . . . A 65 LYS HE2 . 34449 1 846 . 1 . 1 65 65 LYS HE3 H 1 3.132 0.020 . 2 . . . . A 65 LYS HE3 . 34449 1 847 . 1 . 1 65 65 LYS C C 13 176.728 0.3 . 1 . . . . A 65 LYS C . 34449 1 848 . 1 . 1 65 65 LYS CA C 13 56.851 0.3 . 1 . . . . A 65 LYS CA . 34449 1 849 . 1 . 1 65 65 LYS CB C 13 35.535 0.3 . 1 . . . . A 65 LYS CB . 34449 1 850 . 1 . 1 65 65 LYS CG C 13 26.630 0.3 . 1 . . . . A 65 LYS CG . 34449 1 851 . 1 . 1 65 65 LYS CD C 13 30.585 0.3 . 1 . . . . A 65 LYS CD . 34449 1 852 . 1 . 1 65 65 LYS CE C 13 42.564 0.3 . 1 . . . . A 65 LYS CE . 34449 1 853 . 1 . 1 65 65 LYS N N 15 123.901 0.3 . 1 . . . . A 65 LYS N . 34449 1 854 . 1 . 1 66 66 THR H H 1 8.209 0.020 . 1 . . . . A 66 THR H . 34449 1 855 . 1 . 1 66 66 THR HA H 1 4.448 0.020 . 1 . . . . A 66 THR HA . 34449 1 856 . 1 . 1 66 66 THR HB H 1 3.511 0.020 . 1 . . . . A 66 THR HB . 34449 1 857 . 1 . 1 66 66 THR HG21 H 1 0.974 0.020 . 1 . . . . A 66 THR HG21 . 34449 1 858 . 1 . 1 66 66 THR HG22 H 1 0.974 0.020 . 1 . . . . A 66 THR HG22 . 34449 1 859 . 1 . 1 66 66 THR HG23 H 1 0.974 0.020 . 1 . . . . A 66 THR HG23 . 34449 1 860 . 1 . 1 66 66 THR C C 13 174.096 0.3 . 1 . . . . A 66 THR C . 34449 1 861 . 1 . 1 66 66 THR CA C 13 59.159 0.3 . 1 . . . . A 66 THR CA . 34449 1 862 . 1 . 1 66 66 THR CB C 13 71.778 0.3 . 1 . . . . A 66 THR CB . 34449 1 863 . 1 . 1 66 66 THR CG2 C 13 21.922 0.3 . 1 . . . . A 66 THR CG2 . 34449 1 864 . 1 . 1 66 66 THR N N 15 110.315 0.3 . 1 . . . . A 66 THR N . 34449 1 865 . 1 . 1 67 67 PHE H H 1 8.574 0.020 . 1 . . . . A 67 PHE H . 34449 1 866 . 1 . 1 67 67 PHE HA H 1 5.448 0.020 . 1 . . . . A 67 PHE HA . 34449 1 867 . 1 . 1 67 67 PHE HB2 H 1 2.401 0.020 . 2 . . . . A 67 PHE HB2 . 34449 1 868 . 1 . 1 67 67 PHE HB3 H 1 2.838 0.020 . 2 . . . . A 67 PHE HB3 . 34449 1 869 . 1 . 1 67 67 PHE HD1 H 1 6.770 0.020 . 1 . . . . A 67 PHE HD1 . 34449 1 870 . 1 . 1 67 67 PHE HD2 H 1 6.770 0.020 . 1 . . . . A 67 PHE HD2 . 34449 1 871 . 1 . 1 67 67 PHE HE1 H 1 6.806 0.020 . 1 . . . . A 67 PHE HE1 . 34449 1 872 . 1 . 1 67 67 PHE HE2 H 1 6.806 0.020 . 1 . . . . A 67 PHE HE2 . 34449 1 873 . 1 . 1 67 67 PHE HZ H 1 6.759 0.020 . 1 . . . . A 67 PHE HZ . 34449 1 874 . 1 . 1 67 67 PHE C C 13 173.922 0.3 . 1 . . . . A 67 PHE C . 34449 1 875 . 1 . 1 67 67 PHE CA C 13 57.907 0.3 . 1 . . . . A 67 PHE CA . 34449 1 876 . 1 . 1 67 67 PHE CB C 13 44.284 0.3 . 1 . . . . A 67 PHE CB . 34449 1 877 . 1 . 1 67 67 PHE CD1 C 13 131.920 0.3 . 3 . . . . A 67 PHE CD1 . 34449 1 878 . 1 . 1 67 67 PHE CD2 C 13 131.920 0.3 . 3 . . . . A 67 PHE CD2 . 34449 1 879 . 1 . 1 67 67 PHE CE1 C 13 130.444 0.3 . 3 . . . . A 67 PHE CE1 . 34449 1 880 . 1 . 1 67 67 PHE CE2 C 13 130.444 0.3 . 3 . . . . A 67 PHE CE2 . 34449 1 881 . 1 . 1 67 67 PHE CZ C 13 131.920 0.3 . 1 . . . . A 67 PHE CZ . 34449 1 882 . 1 . 1 67 67 PHE N N 15 116.341 0.3 . 1 . . . . A 67 PHE N . 34449 1 883 . 1 . 1 68 68 TYR H H 1 8.741 0.020 . 1 . . . . A 68 TYR H . 34449 1 884 . 1 . 1 68 68 TYR HA H 1 4.973 0.020 . 1 . . . . A 68 TYR HA . 34449 1 885 . 1 . 1 68 68 TYR HB2 H 1 2.678 0.020 . 1 . . . . A 68 TYR HB2 . 34449 1 886 . 1 . 1 68 68 TYR HB3 H 1 2.678 0.020 . 1 . . . . A 68 TYR HB3 . 34449 1 887 . 1 . 1 68 68 TYR HD1 H 1 6.507 0.020 . 1 . . . . A 68 TYR HD1 . 34449 1 888 . 1 . 1 68 68 TYR HD2 H 1 6.507 0.020 . 1 . . . . A 68 TYR HD2 . 34449 1 889 . 1 . 1 68 68 TYR HE1 H 1 6.447 0.020 . 1 . . . . A 68 TYR HE1 . 34449 1 890 . 1 . 1 68 68 TYR HE2 H 1 6.447 0.020 . 1 . . . . A 68 TYR HE2 . 34449 1 891 . 1 . 1 68 68 TYR C C 13 173.624 0.3 . 1 . . . . A 68 TYR C . 34449 1 892 . 1 . 1 68 68 TYR CA C 13 55.723 0.3 . 1 . . . . A 68 TYR CA . 34449 1 893 . 1 . 1 68 68 TYR CB C 13 41.026 0.3 . 1 . . . . A 68 TYR CB . 34449 1 894 . 1 . 1 68 68 TYR CD1 C 13 134.364 0.3 . 3 . . . . A 68 TYR CD1 . 34449 1 895 . 1 . 1 68 68 TYR CD2 C 13 134.364 0.3 . 3 . . . . A 68 TYR CD2 . 34449 1 896 . 1 . 1 68 68 TYR CE1 C 13 117.152 0.3 . 3 . . . . A 68 TYR CE1 . 34449 1 897 . 1 . 1 68 68 TYR CE2 C 13 117.152 0.3 . 3 . . . . A 68 TYR CE2 . 34449 1 898 . 1 . 1 68 68 TYR N N 15 118.232 0.3 . 1 . . . . A 68 TYR N . 34449 1 899 . 1 . 1 69 69 ILE H H 1 8.866 0.020 . 1 . . . . A 69 ILE H . 34449 1 900 . 1 . 1 69 69 ILE HA H 1 4.798 0.020 . 1 . . . . A 69 ILE HA . 34449 1 901 . 1 . 1 69 69 ILE HB H 1 1.648 0.020 . 1 . . . . A 69 ILE HB . 34449 1 902 . 1 . 1 69 69 ILE HG12 H 1 1.742 0.020 . 2 . . . . A 69 ILE HG12 . 34449 1 903 . 1 . 1 69 69 ILE HG13 H 1 1.666 0.020 . 2 . . . . A 69 ILE HG13 . 34449 1 904 . 1 . 1 69 69 ILE HG21 H 1 0.673 0.020 . 1 . . . . A 69 ILE HG21 . 34449 1 905 . 1 . 1 69 69 ILE HG22 H 1 0.673 0.020 . 1 . . . . A 69 ILE HG22 . 34449 1 906 . 1 . 1 69 69 ILE HG23 H 1 0.673 0.020 . 1 . . . . A 69 ILE HG23 . 34449 1 907 . 1 . 1 69 69 ILE HD11 H 1 0.773 0.020 . 1 . . . . A 69 ILE HD11 . 34449 1 908 . 1 . 1 69 69 ILE HD12 H 1 0.773 0.020 . 1 . . . . A 69 ILE HD12 . 34449 1 909 . 1 . 1 69 69 ILE HD13 H 1 0.773 0.020 . 1 . . . . A 69 ILE HD13 . 34449 1 910 . 1 . 1 69 69 ILE C C 13 174.071 0.3 . 1 . . . . A 69 ILE C . 34449 1 911 . 1 . 1 69 69 ILE CA C 13 60.203 0.3 . 1 . . . . A 69 ILE CA . 34449 1 912 . 1 . 1 69 69 ILE CB C 13 41.313 0.3 . 1 . . . . A 69 ILE CB . 34449 1 913 . 1 . 1 69 69 ILE CG1 C 13 28.823 0.3 . 1 . . . . A 69 ILE CG1 . 34449 1 914 . 1 . 1 69 69 ILE CG2 C 13 16.157 0.3 . 1 . . . . A 69 ILE CG2 . 34449 1 915 . 1 . 1 69 69 ILE CD1 C 13 14.360 0.3 . 1 . . . . A 69 ILE CD1 . 34449 1 916 . 1 . 1 69 69 ILE N N 15 119.776 0.3 . 1 . . . . A 69 ILE N . 34449 1 917 . 1 . 1 70 70 THR H H 1 7.775 0.020 . 1 . . . . A 70 THR H . 34449 1 918 . 1 . 1 70 70 THR HA H 1 4.548 0.020 . 1 . . . . A 70 THR HA . 34449 1 919 . 1 . 1 70 70 THR HB H 1 4.926 0.020 . 1 . . . . A 70 THR HB . 34449 1 920 . 1 . 1 70 70 THR HG21 H 1 1.525 0.020 . 1 . . . . A 70 THR HG21 . 34449 1 921 . 1 . 1 70 70 THR HG22 H 1 1.525 0.020 . 1 . . . . A 70 THR HG22 . 34449 1 922 . 1 . 1 70 70 THR HG23 H 1 1.525 0.020 . 1 . . . . A 70 THR HG23 . 34449 1 923 . 1 . 1 70 70 THR CA C 13 60.082 0.3 . 1 . . . . A 70 THR CA . 34449 1 924 . 1 . 1 70 70 THR CB C 13 68.753 0.3 . 1 . . . . A 70 THR CB . 34449 1 925 . 1 . 1 70 70 THR CG2 C 13 20.085 0.3 . 1 . . . . A 70 THR CG2 . 34449 1 926 . 1 . 1 70 70 THR N N 15 117.944 0.3 . 1 . . . . A 70 THR N . 34449 1 927 . 1 . 1 71 71 PRO HA H 1 4.240 0.020 . 1 . . . . A 71 PRO HA . 34449 1 928 . 1 . 1 71 71 PRO HB2 H 1 2.270 0.020 . 2 . . . . A 71 PRO HB2 . 34449 1 929 . 1 . 1 71 71 PRO HB3 H 1 2.480 0.020 . 2 . . . . A 71 PRO HB3 . 34449 1 930 . 1 . 1 71 71 PRO HG2 H 1 2.080 0.020 . 2 . . . . A 71 PRO HG2 . 34449 1 931 . 1 . 1 71 71 PRO HG3 H 1 1.980 0.020 . 2 . . . . A 71 PRO HG3 . 34449 1 932 . 1 . 1 71 71 PRO HD2 H 1 3.990 0.020 . 2 . . . . A 71 PRO HD2 . 34449 1 933 . 1 . 1 71 71 PRO HD3 H 1 4.270 0.020 . 2 . . . . A 71 PRO HD3 . 34449 1 934 . 1 . 1 71 71 PRO C C 13 179.137 0.3 . 1 . . . . A 71 PRO C . 34449 1 935 . 1 . 1 71 71 PRO CA C 13 66.640 0.3 . 1 . . . . A 71 PRO CA . 34449 1 936 . 1 . 1 71 71 PRO CB C 13 32.020 0.3 . 1 . . . . A 71 PRO CB . 34449 1 937 . 1 . 1 71 71 PRO CG C 13 28.640 0.3 . 1 . . . . A 71 PRO CG . 34449 1 938 . 1 . 1 71 71 PRO CD C 13 51.050 0.3 . 1 . . . . A 71 PRO CD . 34449 1 939 . 1 . 1 72 72 ASN H H 1 8.386 0.020 . 1 . . . . A 72 ASN H . 34449 1 940 . 1 . 1 72 72 ASN HA H 1 4.517 0.020 . 1 . . . . A 72 ASN HA . 34449 1 941 . 1 . 1 72 72 ASN HB2 H 1 2.917 0.020 . 1 . . . . A 72 ASN HB2 . 34449 1 942 . 1 . 1 72 72 ASN HB3 H 1 2.917 0.020 . 1 . . . . A 72 ASN HB3 . 34449 1 943 . 1 . 1 72 72 ASN HD21 H 1 7.161 0.020 . 1 . . . . A 72 ASN HD21 . 34449 1 944 . 1 . 1 72 72 ASN HD22 H 1 7.390 0.020 . 1 . . . . A 72 ASN HD22 . 34449 1 945 . 1 . 1 72 72 ASN C C 13 178.873 0.3 . 1 . . . . A 72 ASN C . 34449 1 946 . 1 . 1 72 72 ASN CA C 13 56.313 0.3 . 1 . . . . A 72 ASN CA . 34449 1 947 . 1 . 1 72 72 ASN CB C 13 38.042 0.3 . 1 . . . . A 72 ASN CB . 34449 1 948 . 1 . 1 72 72 ASN N N 15 115.368 0.3 . 1 . . . . A 72 ASN N . 34449 1 949 . 1 . 1 73 73 GLY H H 1 8.175 0.020 . 1 . . . . A 73 GLY H . 34449 1 950 . 1 . 1 73 73 GLY HA2 H 1 3.138 0.020 . 2 . . . . A 73 GLY HA2 . 34449 1 951 . 1 . 1 73 73 GLY HA3 H 1 3.890 0.020 . 2 . . . . A 73 GLY HA3 . 34449 1 952 . 1 . 1 73 73 GLY C C 13 174.841 0.3 . 1 . . . . A 73 GLY C . 34449 1 953 . 1 . 1 73 73 GLY CA C 13 47.079 0.3 . 1 . . . . A 73 GLY CA . 34449 1 954 . 1 . 1 73 73 GLY N N 15 111.036 0.3 . 1 . . . . A 73 GLY N . 34449 1 955 . 1 . 1 74 74 ILE H H 1 8.217 0.020 . 1 . . . . A 74 ILE H . 34449 1 956 . 1 . 1 74 74 ILE HA H 1 3.380 0.020 . 1 . . . . A 74 ILE HA . 34449 1 957 . 1 . 1 74 74 ILE HB H 1 2.013 0.020 . 1 . . . . A 74 ILE HB . 34449 1 958 . 1 . 1 74 74 ILE HG12 H 1 0.808 0.020 . 2 . . . . A 74 ILE HG12 . 34449 1 959 . 1 . 1 74 74 ILE HG13 H 1 1.674 0.020 . 2 . . . . A 74 ILE HG13 . 34449 1 960 . 1 . 1 74 74 ILE HG21 H 1 0.857 0.020 . 1 . . . . A 74 ILE HG21 . 34449 1 961 . 1 . 1 74 74 ILE HG22 H 1 0.857 0.020 . 1 . . . . A 74 ILE HG22 . 34449 1 962 . 1 . 1 74 74 ILE HG23 H 1 0.857 0.020 . 1 . . . . A 74 ILE HG23 . 34449 1 963 . 1 . 1 74 74 ILE HD11 H 1 0.780 0.020 . 1 . . . . A 74 ILE HD11 . 34449 1 964 . 1 . 1 74 74 ILE HD12 H 1 0.780 0.020 . 1 . . . . A 74 ILE HD12 . 34449 1 965 . 1 . 1 74 74 ILE HD13 H 1 0.780 0.020 . 1 . . . . A 74 ILE HD13 . 34449 1 966 . 1 . 1 74 74 ILE C C 13 179.013 0.3 . 1 . . . . A 74 ILE C . 34449 1 967 . 1 . 1 74 74 ILE CA C 13 65.705 0.3 . 1 . . . . A 74 ILE CA . 34449 1 968 . 1 . 1 74 74 ILE CB C 13 37.864 0.3 . 1 . . . . A 74 ILE CB . 34449 1 969 . 1 . 1 74 74 ILE CG1 C 13 29.920 0.3 . 1 . . . . A 74 ILE CG1 . 34449 1 970 . 1 . 1 74 74 ILE CG2 C 13 17.414 0.3 . 1 . . . . A 74 ILE CG2 . 34449 1 971 . 1 . 1 74 74 ILE CD1 C 13 12.853 0.3 . 1 . . . . A 74 ILE CD1 . 34449 1 972 . 1 . 1 74 74 ILE N N 15 123.555 0.3 . 1 . . . . A 74 ILE N . 34449 1 973 . 1 . 1 75 75 GLU H H 1 8.139 0.020 . 1 . . . . A 75 GLU H . 34449 1 974 . 1 . 1 75 75 GLU HA H 1 3.933 0.020 . 1 . . . . A 75 GLU HA . 34449 1 975 . 1 . 1 75 75 GLU HB2 H 1 2.066 0.020 . 1 . . . . A 75 GLU HB2 . 34449 1 976 . 1 . 1 75 75 GLU HB3 H 1 2.066 0.020 . 1 . . . . A 75 GLU HB3 . 34449 1 977 . 1 . 1 75 75 GLU HG2 H 1 2.312 0.020 . 1 . . . . A 75 GLU HG2 . 34449 1 978 . 1 . 1 75 75 GLU HG3 H 1 2.312 0.020 . 1 . . . . A 75 GLU HG3 . 34449 1 979 . 1 . 1 75 75 GLU C C 13 179.758 0.3 . 1 . . . . A 75 GLU C . 34449 1 980 . 1 . 1 75 75 GLU CA C 13 59.299 0.3 . 1 . . . . A 75 GLU CA . 34449 1 981 . 1 . 1 75 75 GLU CB C 13 29.440 0.3 . 1 . . . . A 75 GLU CB . 34449 1 982 . 1 . 1 75 75 GLU CG C 13 36.010 0.3 . 1 . . . . A 75 GLU CG . 34449 1 983 . 1 . 1 75 75 GLU N N 15 120.383 0.3 . 1 . . . . A 75 GLU N . 34449 1 984 . 1 . 1 76 76 LYS H H 1 7.590 0.020 . 1 . . . . A 76 LYS H . 34449 1 985 . 1 . 1 76 76 LYS HA H 1 4.035 0.020 . 1 . . . . A 76 LYS HA . 34449 1 986 . 1 . 1 76 76 LYS HB2 H 1 1.304 0.020 . 2 . . . . A 76 LYS HB2 . 34449 1 987 . 1 . 1 76 76 LYS HB3 H 1 1.456 0.020 . 2 . . . . A 76 LYS HB3 . 34449 1 988 . 1 . 1 76 76 LYS HG2 H 1 0.677 0.020 . 2 . . . . A 76 LYS HG2 . 34449 1 989 . 1 . 1 76 76 LYS HG3 H 1 1.017 0.020 . 2 . . . . A 76 LYS HG3 . 34449 1 990 . 1 . 1 76 76 LYS HD2 H 1 1.560 0.020 . 2 . . . . A 76 LYS HD2 . 34449 1 991 . 1 . 1 76 76 LYS HD3 H 1 1.698 0.020 . 2 . . . . A 76 LYS HD3 . 34449 1 992 . 1 . 1 76 76 LYS HE2 H 1 2.632 0.020 . 2 . . . . A 76 LYS HE2 . 34449 1 993 . 1 . 1 76 76 LYS HE3 H 1 2.996 0.020 . 2 . . . . A 76 LYS HE3 . 34449 1 994 . 1 . 1 76 76 LYS C C 13 179.261 0.3 . 1 . . . . A 76 LYS C . 34449 1 995 . 1 . 1 76 76 LYS CA C 13 57.509 0.3 . 1 . . . . A 76 LYS CA . 34449 1 996 . 1 . 1 76 76 LYS CB C 13 30.568 0.3 . 1 . . . . A 76 LYS CB . 34449 1 997 . 1 . 1 76 76 LYS CG C 13 23.993 0.3 . 1 . . . . A 76 LYS CG . 34449 1 998 . 1 . 1 76 76 LYS CD C 13 28.312 0.3 . 1 . . . . A 76 LYS CD . 34449 1 999 . 1 . 1 76 76 LYS CE C 13 42.722 0.3 . 1 . . . . A 76 LYS CE . 34449 1 1000 . 1 . 1 76 76 LYS N N 15 121.378 0.3 . 1 . . . . A 76 LYS N . 34449 1 1001 . 1 . 1 77 77 LEU H H 1 7.539 0.020 . 1 . . . . A 77 LEU H . 34449 1 1002 . 1 . 1 77 77 LEU HA H 1 3.788 0.020 . 1 . . . . A 77 LEU HA . 34449 1 1003 . 1 . 1 77 77 LEU HB2 H 1 1.400 0.020 . 2 . . . . A 77 LEU HB2 . 34449 1 1004 . 1 . 1 77 77 LEU HB3 H 1 1.842 0.020 . 2 . . . . A 77 LEU HB3 . 34449 1 1005 . 1 . 1 77 77 LEU HG H 1 1.713 0.020 . 1 . . . . A 77 LEU HG . 34449 1 1006 . 1 . 1 77 77 LEU HD11 H 1 0.667 0.020 . 2 . . . . A 77 LEU HD11 . 34449 1 1007 . 1 . 1 77 77 LEU HD12 H 1 0.667 0.020 . 2 . . . . A 77 LEU HD12 . 34449 1 1008 . 1 . 1 77 77 LEU HD13 H 1 0.667 0.020 . 2 . . . . A 77 LEU HD13 . 34449 1 1009 . 1 . 1 77 77 LEU HD21 H 1 0.675 0.020 . 2 . . . . A 77 LEU HD21 . 34449 1 1010 . 1 . 1 77 77 LEU HD22 H 1 0.675 0.020 . 2 . . . . A 77 LEU HD22 . 34449 1 1011 . 1 . 1 77 77 LEU HD23 H 1 0.675 0.020 . 2 . . . . A 77 LEU HD23 . 34449 1 1012 . 1 . 1 77 77 LEU C C 13 178.864 0.3 . 1 . . . . A 77 LEU C . 34449 1 1013 . 1 . 1 77 77 LEU CA C 13 57.310 0.3 . 1 . . . . A 77 LEU CA . 34449 1 1014 . 1 . 1 77 77 LEU CB C 13 41.924 0.3 . 1 . . . . A 77 LEU CB . 34449 1 1015 . 1 . 1 77 77 LEU CG C 13 26.184 0.3 . 1 . . . . A 77 LEU CG . 34449 1 1016 . 1 . 1 77 77 LEU CD1 C 13 26.440 0.3 . 1 . . . . A 77 LEU CD1 . 34449 1 1017 . 1 . 1 77 77 LEU CD2 C 13 23.487 0.3 . 1 . . . . A 77 LEU CD2 . 34449 1 1018 . 1 . 1 77 77 LEU N N 15 118.153 0.3 . 1 . . . . A 77 LEU N . 34449 1 1019 . 1 . 1 78 78 LYS H H 1 7.592 0.020 . 1 . . . . A 78 LYS H . 34449 1 1020 . 1 . 1 78 78 LYS HA H 1 4.028 0.020 . 1 . . . . A 78 LYS HA . 34449 1 1021 . 1 . 1 78 78 LYS HB2 H 1 1.907 0.020 . 1 . . . . A 78 LYS HB2 . 34449 1 1022 . 1 . 1 78 78 LYS HB3 H 1 1.907 0.020 . 1 . . . . A 78 LYS HB3 . 34449 1 1023 . 1 . 1 78 78 LYS HG2 H 1 1.410 0.020 . 2 . . . . A 78 LYS HG2 . 34449 1 1024 . 1 . 1 78 78 LYS HG3 H 1 1.594 0.020 . 2 . . . . A 78 LYS HG3 . 34449 1 1025 . 1 . 1 78 78 LYS HD2 H 1 1.656 0.020 . 1 . . . . A 78 LYS HD2 . 34449 1 1026 . 1 . 1 78 78 LYS HD3 H 1 1.656 0.020 . 1 . . . . A 78 LYS HD3 . 34449 1 1027 . 1 . 1 78 78 LYS HE2 H 1 2.842 0.020 . 2 . . . . A 78 LYS HE2 . 34449 1 1028 . 1 . 1 78 78 LYS HE3 H 1 2.932 0.020 . 2 . . . . A 78 LYS HE3 . 34449 1 1029 . 1 . 1 78 78 LYS C C 13 178.491 0.3 . 1 . . . . A 78 LYS C . 34449 1 1030 . 1 . 1 78 78 LYS CA C 13 59.228 0.3 . 1 . . . . A 78 LYS CA . 34449 1 1031 . 1 . 1 78 78 LYS CB C 13 32.642 0.3 . 1 . . . . A 78 LYS CB . 34449 1 1032 . 1 . 1 78 78 LYS CG C 13 25.831 0.3 . 1 . . . . A 78 LYS CG . 34449 1 1033 . 1 . 1 78 78 LYS CD C 13 29.760 0.3 . 1 . . . . A 78 LYS CD . 34449 1 1034 . 1 . 1 78 78 LYS CE C 13 42.301 0.3 . 1 . . . . A 78 LYS CE . 34449 1 1035 . 1 . 1 78 78 LYS N N 15 118.509 0.3 . 1 . . . . A 78 LYS N . 34449 1 1036 . 1 . 1 79 79 SER H H 1 7.669 0.020 . 1 . . . . A 79 SER H . 34449 1 1037 . 1 . 1 79 79 SER HA H 1 4.457 0.020 . 1 . . . . A 79 SER HA . 34449 1 1038 . 1 . 1 79 79 SER HB2 H 1 3.943 0.020 . 2 . . . . A 79 SER HB2 . 34449 1 1039 . 1 . 1 79 79 SER HB3 H 1 4.014 0.020 . 2 . . . . A 79 SER HB3 . 34449 1 1040 . 1 . 1 79 79 SER C C 13 175.089 0.3 . 1 . . . . A 79 SER C . 34449 1 1041 . 1 . 1 79 79 SER CA C 13 59.807 0.3 . 1 . . . . A 79 SER CA . 34449 1 1042 . 1 . 1 79 79 SER CB C 13 64.453 0.3 . 1 . . . . A 79 SER CB . 34449 1 1043 . 1 . 1 79 79 SER N N 15 112.515 0.3 . 1 . . . . A 79 SER N . 34449 1 1044 . 1 . 1 80 80 ILE H H 1 7.286 0.020 . 1 . . . . A 80 ILE H . 34449 1 1045 . 1 . 1 80 80 ILE HA H 1 4.337 0.020 . 1 . . . . A 80 ILE HA . 34449 1 1046 . 1 . 1 80 80 ILE HB H 1 1.895 0.020 . 1 . . . . A 80 ILE HB . 34449 1 1047 . 1 . 1 80 80 ILE HG12 H 1 1.044 0.020 . 2 . . . . A 80 ILE HG12 . 34449 1 1048 . 1 . 1 80 80 ILE HG13 H 1 1.160 0.020 . 2 . . . . A 80 ILE HG13 . 34449 1 1049 . 1 . 1 80 80 ILE HG21 H 1 0.687 0.020 . 1 . . . . A 80 ILE HG21 . 34449 1 1050 . 1 . 1 80 80 ILE HG22 H 1 0.687 0.020 . 1 . . . . A 80 ILE HG22 . 34449 1 1051 . 1 . 1 80 80 ILE HG23 H 1 0.687 0.020 . 1 . . . . A 80 ILE HG23 . 34449 1 1052 . 1 . 1 80 80 ILE HD11 H 1 0.407 0.020 . 1 . . . . A 80 ILE HD11 . 34449 1 1053 . 1 . 1 80 80 ILE HD12 H 1 0.407 0.020 . 1 . . . . A 80 ILE HD12 . 34449 1 1054 . 1 . 1 80 80 ILE HD13 H 1 0.407 0.020 . 1 . . . . A 80 ILE HD13 . 34449 1 1055 . 1 . 1 80 80 ILE C C 13 175.512 0.3 . 1 . . . . A 80 ILE C . 34449 1 1056 . 1 . 1 80 80 ILE CA C 13 61.488 0.3 . 1 . . . . A 80 ILE CA . 34449 1 1057 . 1 . 1 80 80 ILE CB C 13 39.147 0.3 . 1 . . . . A 80 ILE CB . 34449 1 1058 . 1 . 1 80 80 ILE CG1 C 13 26.632 0.3 . 1 . . . . A 80 ILE CG1 . 34449 1 1059 . 1 . 1 80 80 ILE CG2 C 13 18.034 0.3 . 1 . . . . A 80 ILE CG2 . 34449 1 1060 . 1 . 1 80 80 ILE CD1 C 13 13.751 0.3 . 1 . . . . A 80 ILE CD1 . 34449 1 1061 . 1 . 1 80 80 ILE N N 15 118.276 0.3 . 1 . . . . A 80 ILE N . 34449 1 1062 . 1 . 1 81 81 MET H H 1 7.527 0.020 . 1 . . . . A 81 MET H . 34449 1 1063 . 1 . 1 81 81 MET HA H 1 4.217 0.020 . 1 . . . . A 81 MET HA . 34449 1 1064 . 1 . 1 81 81 MET HB2 H 1 1.935 0.020 . 2 . . . . A 81 MET HB2 . 34449 1 1065 . 1 . 1 81 81 MET HB3 H 1 2.086 0.020 . 2 . . . . A 81 MET HB3 . 34449 1 1066 . 1 . 1 81 81 MET HG2 H 1 2.525 0.020 . 1 . . . . A 81 MET HG2 . 34449 1 1067 . 1 . 1 81 81 MET HG3 H 1 2.525 0.020 . 1 . . . . A 81 MET HG3 . 34449 1 1068 . 1 . 1 81 81 MET CA C 13 57.722 0.3 . 1 . . . . A 81 MET CA . 34449 1 1069 . 1 . 1 81 81 MET CB C 13 34.125 0.3 . 1 . . . . A 81 MET CB . 34449 1 1070 . 1 . 1 81 81 MET CG C 13 32.554 0.3 . 1 . . . . A 81 MET CG . 34449 1 1071 . 1 . 1 81 81 MET N N 15 127.488 0.3 . 1 . . . . A 81 MET N . 34449 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34449 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #FORMAT xeasy2D #INAME 1 h #INAME 2 H #CYANAFORMAT hH 1 7.775 4.896 4 U 2.531E+03 0.000E+00 a 0 135 1050 2 7.776 4.541 0 U 6.884E+02 0.000E+00 a 0 135 349 3 0.570 1.160 0 U 1.156E+03 0.000E+00 a 0 966 1659 4 0.565 2.387 0 U 7.172E+02 0.000E+00 a 0 966 1660 5 0.565 2.448 0 U 7.340E+02 0.000E+00 a 0 966 1661 6 2.836 5.445 0 U 7.410E+02 0.000E+00 a 0 1047 372 7 2.838 6.759 3 U 2.967E+02 0.000E+00 a 0 1047 1725 8 2.835 2.408 0 U 3.578E+03 0.000E+00 a 0 1047 1048 9 2.838 6.771 0 U 1.115E+03 0.000E+00 a 0 1047 1725 10 4.327 2.076 0 U 1.270E+03 0.000E+00 a 0 273 1877 11 4.015 3.807 0 U 1.707E+03 0.000E+00 a 0 339 1486 12 4.015 8.525 0 U 4.704E+02 0.000E+00 a 0 339 119 13 4.015 3.844 0 U 5.091E+03 0.000E+00 a 0 339 1485 14 2.311 9.266 0 U 3.857E+02 0.000E+00 a 0 1381 12 15 1.558 8.289 0 U 8.074E+02 0.000E+00 a 0 1447 181 16 4.155 3.600 0 U 3.210E+03 0.000E+00 a 0 1573 1574 17 2.932 1.631 0 U 1.502E+03 0.000E+00 a 0 1639 1066 18 2.933 4.002 0 U 6.856E+02 0.000E+00 a 0 1639 632 19 1.848 7.748 0 U 1.001E+03 0.000E+00 a 0 1704 72 20 8.231 4.499 0 U 5.333E+02 0.000E+00 a 0 39 291 21 8.232 1.929 0 U 9.315E+02 0.000E+00 a 0 39 1571 22 8.230 1.620 0 U 1.888E+03 0.000E+00 a 0 39 1572 23 7.595 1.881 0 U 3.146E+03 0.000E+00 a 0 138 1065 24 4.338 0.886 0 U 5.090E+02 0.000E+00 a 0 345 1402 25 4.338 1.575 3 U 2.193E+03 0.000E+00 a 0 273 1876 26 4.338 0.850 0 U 1.870E+03 0.000E+00 a 0 345 1401 27 4.338 1.559 0 U 4.005E+02 0.000E+00 a 0 345 1404 28 3.858 7.826 0 U 5.877E+02 0.000E+00 a 0 1452 190 29 3.858 4.274 0 U 1.674E+03 0.000E+00 a 0 1452 384 30 1.615 7.224 0 U 1.259E+03 0.000E+00 a 0 1515 78 31 7.928 0.565 0 U 3.894E+02 0.000E+00 a 0 42 966 32 7.929 1.668 0 U 3.248E+03 0.000E+00 a 0 42 965 33 1.411 8.497 0 U 1.013E+03 0.000E+00 a 0 925 175 34 1.415 1.008 0 U 7.950E+03 0.000E+00 a 0 925 1348 35 1.415 1.016 0 U 7.950E+03 0.000E+00 a 0 925 926 36 1.419 2.252 0 U 6.012E+02 0.000E+00 a 0 925 915 37 8.391 4.536 0 U 9.583E+02 0.000E+00 a 0 178 378 38 8.391 2.913 0 U 1.815E+03 0.000E+00 a 0 178 1051 39 4.326 1.218 0 U 1.933E+03 0.000E+00 a 0 987 986 40 0.780 8.217 0 U 1.104E+03 0.000E+00 a 0 1055 428 41 0.780 2.013 0 U 1.971E+03 0.000E+00 a 0 1055 1053 42 0.780 3.380 0 U 1.666E+03 0.000E+00 a 0 1055 446 43 3.412 8.637 0 U 6.714E+02 0.000E+00 a 0 285 30 44 3.410 2.141 0 U 6.120E+02 0.000E+00 a 0 285 988 45 3.411 0.998 0 U 3.754E+03 0.000E+00 a 0 285 1488 46 3.412 1.091 0 U 1.859E+03 0.000E+00 a 0 285 1489 47 4.023 0.821 0 U 1.743E+03 0.000E+00 a 0 353 1535 48 4.028 0.789 0 U 3.876E+03 0.000E+00 a 0 353 1536 49 4.022 0.594 0 U 1.609E+03 0.000E+00 a 0 353 1534 50 2.898 4.550 0 U 6.918E+02 0.000E+00 a 0 1330 368 51 2.892 2.744 0 U 7.379E+03 0.000E+00 a 0 1330 1329 52 2.267 8.349 0 U 5.531E+02 0.000E+00 a 0 1394 184 53 4.159 8.235 0 U 3.444E+03 0.000E+00 a 0 1584 89 54 1.165 0.574 0 U 1.638E+03 0.000E+00 a 0 1659 966 55 1.156 1.669 0 U 8.696E+02 0.000E+00 a 0 1659 965 56 1.164 1.472 0 U 2.453E+03 0.000E+00 a 0 1659 1658 57 6.771 7.008 0 U 8.264E+03 0.000E+00 a 0 1713 1714 58 0.667 3.788 0 U 6.875E+02 0.000E+00 a 0 1874 347 59 0.667 7.539 0 U 3.869E+02 0.000E+00 a 0 1874 132 60 7.527 1.930 0 U 1.630E+03 0.000E+00 a 0 45 1076 61 7.525 4.213 0 U 1.270E+03 0.000E+00 a 0 45 295 62 7.527 2.539 0 U 9.730E+02 0.000E+00 a 0 45 1078 63 8.755 4.167 0 U 2.420E+02 0.000E+00 a 0 109 1573 64 8.755 3.615 0 U 1.212E+02 0.000E+00 a 0 109 1574 65 7.946 2.158 0 U 4.764E+02 0.000E+00 a 0 144 1459 66 7.944 4.014 0 U 4.343E+03 0.000E+00 a 0 144 355 67 7.946 2.040 0 U 5.089E+02 0.000E+00 a 0 144 1460 68 1.414 3.894 0 U 1.318E+03 0.000E+00 a 0 928 341 69 1.414 0.314 0 U 1.267E+03 0.000E+00 a 0 928 1350 70 1.414 0.251 0 U 1.042E+03 0.000E+00 a 0 928 930 71 1.414 6.924 0 U 5.447E+02 0.000E+00 a 0 928 122 72 8.286 1.574 0 U 2.344E+03 0.000E+00 a 0 181 1447 73 8.282 0.914 0 U 1.652E+03 0.000E+00 a 0 181 971 74 8.286 4.215 0 U 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2.547E+03 0.000E+00 a 0 153 1435 662 2.765 1.948 0 U 2.072E+03 0.000E+00 a 0 939 1361 663 2.763 4.331 0 U 1.189E+03 0.000E+00 a 0 939 363 664 2.764 8.284 0 U 1.261E+03 0.000E+00 a 0 939 159 665 3.085 2.803 0 U 2.607E+03 0.000E+00 a 0 1022 1023 666 3.087 8.556 0 U 3.783E+02 0.000E+00 a 0 1022 477 667 3.094 6.639 0 U 8.467E+02 0.000E+00 a 0 1022 1722 668 3.087 4.530 0 U 5.009E+02 0.000E+00 a 0 1022 482 669 3.876 4.330 0 U 8.290E+02 0.000E+00 a 0 307 987 670 3.876 7.710 0 U 9.344E+02 0.000E+00 a 0 307 63 671 3.876 1.228 0 U 3.828E+03 0.000E+00 a 0 307 986 672 3.753 1.416 0 U 1.149E+03 0.000E+00 a 0 376 925 673 3.755 1.008 3 U 2.683E+03 0.000E+00 a 0 376 926 674 3.755 1.016 0 U 2.683E+03 0.000E+00 a 0 376 926 675 1.674 1.084 0 U 4.265E+03 0.000E+00 a 0 1354 1355 676 1.668 3.474 0 U 1.281E+03 0.000E+00 a 0 1354 271 677 3.723 3.619 0 U 4.621E+03 0.000E+00 a 0 1416 1417 678 3.716 7.066 0 U 3.336E+02 0.000E+00 a 0 1416 206 679 3.713 4.650 0 U 8.294E+02 0.000E+00 a 0 1416 394 680 2.172 9.020 0 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2.387E+03 0.000E+00 a 0 966 965 813 0.671 1.688 0 U 9.721E+03 0.000E+00 a 0 1617 1622 814 0.842 2.036 0 U 1.646E+03 0.000E+00 a 0 2063 2061 815 0.781 1.685 3 U 7.733E+03 0.000E+00 a 0 1055 1887 816 0.846 1.553 3 U 6.632E+03 0.000E+00 a 0 1471 981 817 0.835 1.407 0 U 1.913E+03 0.000E+00 a 0 1056 1636 818 0.770 1.215 3 U 5.310E+02 0.000E+00 a 0 1368 929 819 1.049 1.310 0 U 1.079E+03 0.000E+00 a 0 950 957 820 1.012 1.421 0 U 3.700E+03 0.000E+00 a 0 1348 925 821 1.014 1.667 0 U 4.193E+03 0.000E+00 a 0 1348 1347 822 1.007 2.034 0 U 3.764E+03 0.000E+00 a 0 1522 1877 823 0.849 2.284 0 U 4.057E+02 0.000E+00 a 0 1056 935 824 0.850 2.177 3 U 7.843E+02 0.000E+00 a 0 1471 1459 825 0.934 2.045 0 U 1.806E+03 0.000E+00 a 0 2062 2061 826 0.904 2.294 0 U 7.268E+02 0.000E+00 a 0 1357 1381 827 0.908 2.458 0 U 1.372E+03 0.000E+00 a 0 1357 1380 828 1.004 2.442 0 U 1.269E+03 0.000E+00 a 0 1445 1661 829 1.087 2.464 0 U 1.014E+03 0.000E+00 a 0 1489 1432 830 0.978 1.909 0 U 8.937E+02 0.000E+00 a 0 1523 1550 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1471 1451 850 0.832 4.157 0 U 1.474E+03 0.000E+00 a 0 2063 2060 851 0.784 4.256 0 U 1.106E+03 0.000E+00 a 0 1055 2069 852 0.846 4.023 3 U 1.939E+03 0.000E+00 a 0 1535 353 853 0.672 3.886 0 U 1.812E+03 0.000E+00 a 0 1617 1606 854 0.927 4.152 0 U 1.137E+03 0.000E+00 a 0 2062 2060 855 0.975 3.901 0 U 2.511E+03 0.000E+00 a 0 1523 315 856 0.976 4.155 0 U 1.040E+03 0.000E+00 a 0 1042 1573 857 0.946 3.733 3 U 1.281E+03 0.000E+00 a 0 1391 595 858 1.013 3.421 3 U 1.837E+03 0.000E+00 a 0 1348 1492 859 1.019 4.324 0 U 4.765E+03 0.000E+00 a 0 1522 273 860 1.086 4.415 3 U 7.900E+02 0.000E+00 a 0 1489 283 861 0.770 4.975 0 U 1.767E+03 0.000E+00 a 0 1604 335 862 0.831 4.881 4 U 2.865E+03 0.000E+00 a 0 0 0 863 0.831 4.992 4 U 1.543E+03 0.000E+00 a 0 0 0 864 0.829 5.224 4 U 1.544E+03 0.000E+00 a 0 0 0 865 1.040 4.964 0 U 8.803E+02 0.000E+00 a 0 950 405 866 0.981 4.988 3 U 8.554E+02 0.000E+00 a 0 1430 390 867 0.829 4.540 4 U 1.947E+03 0.000E+00 a 0 0 0 868 0.976 4.641 0 U 5.154E+02 0.000E+00 a 0 1594 394 869 0.669 -0.094 0 U 1.794E+03 0.000E+00 a 0 1545 1000 870 0.775 -0.092 0 U 1.019E+03 0.000E+00 a 0 1548 1000 871 0.773 0.252 0 U 3.565E+03 0.000E+00 a 0 1368 930 872 0.672 0.314 0 U 3.446E+03 0.000E+00 a 0 1545 1350 873 0.772 0.407 0 U 2.532E+03 0.000E+00 a 0 1548 1496 874 1.628 -0.093 0 U 1.057E+03 0.000E+00 a 0 1888 1000 875 1.542 0.567 0 U 9.228E+02 0.000E+00 a 0 1696 1698 876 2.017 0.849 0 U 3.580E+03 0.000E+00 a 0 2061 2063 877 1.417 0.834 0 U 2.004E+03 0.000E+00 a 0 1636 1056 878 1.663 0.577 0 U 3.181E+03 0.000E+00 a 0 965 966 879 1.696 0.829 0 U 6.422E+03 0.000E+00 a 0 1887 1886 880 1.654 0.827 3 U 5.637E+03 0.000E+00 a 0 1017 1535 881 1.322 1.009 0 U 2.304E+03 0.000E+00 a 0 1619 1618 882 1.349 0.939 0 U 2.939E+03 0.000E+00 a 0 1578 1042 883 1.627 0.993 0 U 4.631E+03 0.000E+00 a 0 1888 1522 884 1.564 0.877 0 U 7.383E+03 0.000E+00 a 0 1404 1402 885 1.554 0.980 0 U 6.335E+03 0.000E+00 a 0 1876 1523 886 2.055 0.669 0 U 2.699E+03 0.000E+00 a 0 934 1617 887 2.444 0.570 0 U 8.982E+02 0.000E+00 a 0 1661 966 888 2.056 1.159 0 U 7.130E+02 0.000E+00 a 0 1370 1429 889 2.127 1.161 0 U 1.975E+03 0.000E+00 a 0 1435 1429 890 2.067 0.985 0 U 3.857E+03 0.000E+00 a 0 1877 1522 891 2.932 1.339 3 U 9.708E+02 0.000E+00 a 0 1561 1566 892 2.964 1.359 3 U 1.012E+03 0.000E+00 a 0 1508 1504 893 3.059 1.422 0 U 1.126E+03 0.000E+00 a 0 1030 1028 894 2.765 2.287 0 U 2.092E+03 0.000E+00 a 0 939 1363 895 2.820 1.548 0 U 1.365E+03 0.000E+00 a 0 1003 1007 896 2.798 1.544 0 U 1.039E+03 0.000E+00 a 0 1003 1007 897 2.769 1.610 0 U 8.962E+02 0.000E+00 a 0 1694 1695 898 1.627 1.337 3 U 8.393E+03 0.000E+00 a 0 1563 1566 899 1.680 1.277 0 U 3.779E+03 0.000E+00 a 0 1469 1470 900 1.876 1.670 3 U 7.547E+03 0.000E+00 a 0 1884 1885 901 1.873 1.394 0 U 5.235E+03 0.000E+00 a 0 1001 1504 902 1.815 1.414 0 U 4.000E+03 0.000E+00 a 0 927 928 903 2.045 1.415 0 U 2.444E+03 0.000E+00 a 0 1370 1371 904 2.107 1.414 0 U 2.592E+03 0.000E+00 a 0 1372 1371 905 2.060 1.570 0 U 5.698E+03 0.000E+00 a 0 1877 1876 906 2.487 1.987 0 U 4.617E+03 0.000E+00 a 0 2071 2073 907 2.054 1.830 0 U 6.419E+03 0.000E+00 a 0 1333 907 908 1.921 1.578 0 U 5.203E+03 0.000E+00 a 0 914 1342 909 1.973 1.650 0 U 3.722E+03 0.000E+00 a 0 1378 1377 910 2.266 1.571 0 U 1.393E+03 0.000E+00 a 0 1528 1876 911 3.004 1.710 3 U 1.215E+03 0.000E+00 a 0 1624 1622 912 2.769 1.030 0 U 1.404E+03 0.000E+00 a 0 1387 1369 913 2.853 1.036 0 U 1.119E+03 0.000E+00 a 0 1388 1369 914 2.837 0.769 0 U 1.309E+03 0.000E+00 a 0 1047 1548 915 3.139 0.667 0 U 1.570E+03 0.000E+00 a 0 1010 1545 916 3.380 0.847 0 U 2.372E+03 0.000E+00 a 0 446 1056 917 3.379 0.669 0 U 2.154E+03 0.000E+00 a 0 446 1875 918 2.289 2.089 3 U 8.499E+03 0.000E+00 a 0 1381 944 919 3.080 0.254 0 U 6.202E+02 0.000E+00 a 0 1022 930 920 3.474 3.073 0 U 2.008E+03 0.000E+00 a 0 959 960 921 3.795 1.016 0 U 1.302E+03 0.000E+00 a 0 347 1070 922 3.794 2.036 0 U 1.341E+03 0.000E+00 a 0 1493 1333 923 3.901 0.981 0 U 2.723E+03 0.000E+00 a 0 315 1523 924 3.889 0.771 0 U 1.861E+03 0.000E+00 a 0 341 1368 925 3.889 0.667 0 U 2.110E+03 0.000E+00 a 0 1606 1617 926 3.899 2.058 3 U 1.632E+03 0.000E+00 a 0 341 1370 927 3.750 2.282 0 U 1.486E+03 0.000E+00 a 0 376 1363 928 4.254 2.482 0 U 1.694E+03 0.000E+00 a 0 2069 2071 929 4.158 0.925 0 U 1.466E+03 0.000E+00 a 0 2060 2062 930 4.161 0.830 0 U 2.695E+03 0.000E+00 a 0 2060 2063 931 4.219 1.047 0 U 3.293E+03 0.000E+00 a 0 949 950 932 4.255 0.778 0 U 9.631E+02 0.000E+00 a 0 2069 1055 933 4.372 0.980 3 U 2.069E+03 0.000E+00 a 0 287 1594 934 4.323 1.020 0 U 2.829E+03 0.000E+00 a 0 273 1522 935 4.304 1.404 0 U 1.377E+03 0.000E+00 a 0 301 1881 936 4.009 1.032 3 U 2.842E+03 0.000E+00 a 0 309 1369 937 4.250 2.003 0 U 2.727E+03 0.000E+00 a 0 2075 2073 938 4.170 2.092 4 U 1.045E+03 0.000E+00 a 0 0 0 939 4.110 1.531 0 U 1.137E+03 0.000E+00 a 0 275 937 940 4.015 1.670 0 U 4.276E+03 0.000E+00 a 0 293 965 941 4.021 1.415 0 U 3.237E+03 0.000E+00 a 0 309 1371 942 4.078 1.682 0 U 2.250E+03 0.000E+00 a 0 317 1514 943 4.033 2.054 0 U 2.870E+03 0.000E+00 a 0 355 1460 944 4.044 2.143 0 U 3.205E+03 0.000E+00 a 0 299 1879 945 4.014 2.772 0 U 1.090E+03 0.000E+00 a 0 309 1387 946 4.002 2.935 0 U 9.750E+02 0.000E+00 a 0 632 1639 947 4.008 3.090 0 U 1.560E+03 0.000E+00 a 0 277 1438 948 5.215 4.896 4 U 1.054E+03 0.000E+00 a 0 0 0 949 3.793 3.173 0 U 1.146E+03 0.000E+00 a 0 337 1439 950 4.172 3.990 3 U 3.674E+03 0.000E+00 a 0 411 303 951 1.086 3.419 0 U 1.478E+03 0.000E+00 a 0 1489 285 952 1.711 4.895 4 U 7.484E+02 0.000E+00 a 0 0 0 953 1.645 4.896 4 U 9.769E+02 0.000E+00 a 0 0 0 954 2.048 4.903 4 U 8.133E+02 0.000E+00 a 0 0 0 955 2.093 4.796 0 U 5.783E+02 0.000E+00 a 0 1372 409 956 2.001 4.547 3 U 6.644E+02 0.000E+00 a 0 951 349 957 2.060 4.525 0 U 8.013E+02 0.000E+00 a 0 2072 378 958 2.263 4.054 0 U 2.515E+03 0.000E+00 a 0 1528 299 959 2.387 4.134 0 U 1.367E+03 0.000E+00 a 0 1542 396 960 2.132 3.763 0 U 4.351E+02 0.000E+00 a 0 1334 361 961 2.035 3.791 0 U 1.509E+03 0.000E+00 a 0 1333 1493 962 2.112 3.489 3 U 5.968E+02 0.000E+00 a 0 1435 959 963 1.703 3.383 0 U 9.067E+02 0.000E+00 a 0 1632 446 964 2.074 3.630 0 U 6.645E+02 0.000E+00 a 0 998 331 965 1.401 4.303 0 U 1.128E+03 0.000E+00 a 0 1881 301 966 1.459 4.368 0 U 5.676E+02 0.000E+00 a 0 1045 287 967 1.487 4.348 0 U 1.141E+03 0.000E+00 a 0 1045 287 968 1.332 4.368 0 U 1.902E+03 0.000E+00 a 0 1044 287 969 1.625 4.331 0 U 1.232E+03 0.000E+00 a 0 1888 273 970 1.695 3.936 3 U 9.264E+02 0.000E+00 a 0 1705 313 971 1.665 4.018 0 U 3.250E+03 0.000E+00 a 0 1066 632 972 1.520 4.026 0 U 7.849E+02 0.000E+00 a 0 1341 303 973 1.611 4.041 0 U 1.069E+03 0.000E+00 a 0 1876 299 974 1.566 4.055 0 U 1.093E+03 0.000E+00 a 0 1876 299 975 1.523 4.133 4 U 1.130E+03 0.000E+00 a 0 0 0 976 1.566 4.192 0 U 7.079E+02 0.000E+00 a 0 1325 411 977 1.467 4.021 0 U 7.477E+02 0.000E+00 a 0 1620 305 978 1.415 4.048 0 U 2.359E+03 0.000E+00 a 0 1636 632 979 1.878 3.929 0 U 3.433E+03 0.000E+00 a 0 1703 313 980 2.082 4.207 0 U 1.039E+03 0.000E+00 a 0 1075 295 981 2.133 4.245 0 U 9.760E+02 0.000E+00 a 0 988 639 982 2.046 4.031 0 U 2.760E+03 0.000E+00 a 0 1460 355 983 2.488 4.252 0 U 1.665E+03 0.000E+00 a 0 2071 2069 984 2.774 4.011 0 U 7.387E+02 0.000E+00 a 0 1387 309 985 2.875 4.413 0 U 6.191E+02 0.000E+00 a 0 1336 357 986 3.085 3.894 3 U 5.050E+02 0.000E+00 a 0 1022 1606 987 3.602 4.553 3 U 1.252E+03 0.000E+00 a 0 642 349 988 4.148 4.634 0 U 9.169E+02 0.000E+00 a 0 1584 323 989 3.995 4.546 0 U 9.675E+02 0.000E+00 a 0 2074 349 990 1.346 2.944 0 U 9.086E+02 0.000E+00 a 0 938 1376 991 2.033 3.164 0 U 1.368E+03 0.000E+00 a 0 2061 910 992 2.133 3.070 0 U 7.873E+02 0.000E+00 a 0 1435 960 993 2.107 3.074 0 U 3.582E+02 0.000E+00 a 0 1410 954 994 1.990 2.681 0 U 1.054E+03 0.000E+00 a 0 1479 1482 995 2.031 2.688 4 U 1.558E+03 0.000E+00 a 0 0 0 996 2.133 2.763 0 U 8.190E+02 0.000E+00 a 0 1372 1387 997 1.985 2.481 0 U 3.279E+03 0.000E+00 a 0 2073 2071 998 1.876 3.153 0 U 1.119E+03 0.000E+00 a 0 1703 996 999 1.544 2.810 0 U 1.289E+03 0.000E+00 a 0 1007 1003 1000 1.639 2.954 0 U 1.789E+03 0.000E+00 a 0 1377 1376 1001 1.608 2.812 3 U 9.083E+02 0.000E+00 a 0 1515 1003 1002 1.684 2.938 0 U 5.809E+02 0.000E+00 a 0 1887 1639 1003 1.682 2.831 0 U 7.137E+02 0.000E+00 a 0 1514 1003 1004 1.524 2.966 0 U 6.260E+02 0.000E+00 a 0 937 1376 1005 1.946 2.283 3 U 4.467E+03 0.000E+00 a 0 1361 1363 1006 1.998 2.279 0 U 4.339E+03 0.000E+00 a 0 951 1394 1007 1.413 2.101 0 U 2.286E+03 0.000E+00 a 0 1371 1372 1008 1.253 2.032 0 U 4.833E+02 0.000E+00 a 0 1470 1460 1009 1.085 1.538 0 U 6.555E+02 0.000E+00 a 0 1489 1498 1010 1.213 1.674 0 U 2.247E+03 0.000E+00 a 0 1882 1027 1011 1.581 1.923 3 U 4.555E+03 0.000E+00 a 0 1572 1571 1012 1.695 1.860 0 U 5.806E+03 0.000E+00 a 0 1632 1631 1013 1.567 2.053 0 U 4.800E+03 0.000E+00 a 0 1876 1877 1014 1.706 2.041 0 U 2.606E+03 0.000E+00 a 0 1461 1460 1015 1.620 2.078 0 U 4.999E+03 0.000E+00 a 0 1411 1410 1016 8.743 5.448 0 U 2.391E+03 0.000E+00 a 0 112 372 1017 8.124 5.444 0 U 7.847E+02 0.000E+00 a 0 194 372 1018 7.777 5.212 0 U 1.073E+03 0.000E+00 a 0 135 392 1019 7.394 2.421 3 U 3.292E+02 0.000E+00 a 0 1681 1541 1020 7.293 2.808 0 U 6.075E+02 0.000E+00 a 0 203 1023 1021 6.447 2.004 0 U 1.055E+03 0.000E+00 a 0 1727 951 1022 6.447 1.400 0 U 1.102E+03 0.000E+00 a 0 1727 1881 1023 6.448 0.829 4 U 9.677E+02 0.000E+00 a 0 0 0 1024 6.447 0.676 0 U 1.007E+03 0.000E+00 a 0 1727 1029 1025 6.503 0.822 4 U 5.133E+02 0.000E+00 a 0 0 0 1026 6.632 2.913 0 U 1.645E+03 0.000E+00 a 0 1722 1051 1027 6.051 3.084 0 U 5.653E+02 0.000E+00 a 0 327 960 1028 6.049 8.026 0 U 2.462E+03 0.000E+00 a 0 327 200 1029 8.023 6.045 0 U 2.860E+03 0.000E+00 a 0 200 327 1030 6.448 3.614 0 U 1.178E+03 0.000E+00 a 0 1727 642 1031 6.504 3.615 0 U 1.450E+03 0.000E+00 a 0 1728 1417 1032 6.503 4.551 0 U 9.879E+02 0.000E+00 a 0 1728 349 1033 6.447 4.549 0 U 1.622E+03 0.000E+00 a 0 1727 349 1034 6.649 3.631 0 U 1.625E+03 0.000E+00 a 0 1717 331 1035 6.648 2.073 0 U 2.483E+03 0.000E+00 a 0 1717 998 1036 6.648 0.979 0 U 2.158E+03 0.000E+00 a 0 1717 1497 1037 6.636 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5.053E+02 0.000E+00 a 0 1416 407 1839 3.851 4.017 3 U 2.945E+03 0.000E+00 a 0 1485 339 1840 3.815 4.017 3 U 1.921E+03 0.000E+00 a 0 1486 339 1841 3.108 4.624 3 U 6.404E+02 0.000E+00 a 0 1010 370 1842 2.629 0.685 3 U 6.638E+02 0.000E+00 a 0 1623 1617 1843 2.409 0.774 3 U 5.732E+02 0.000E+00 a 0 1048 1548 1844 2.267 0.851 3 U 4.615E+02 0.000E+00 a 0 2070 1056 1845 2.293 0.851 3 U 5.756E+02 0.000E+00 a 0 935 1056 1846 2.314 0.920 3 U 9.945E+02 0.000E+00 a 0 1381 1357 1847 2.262 0.927 4 U 5.923E+02 0.000E+00 a 0 0 0 1848 2.323 0.997 3 U 1.302E+03 0.000E+00 a 0 1032 1522 1849 2.288 1.162 4 U 5.268E+02 0.000E+00 a 0 1363 1429 1850 2.294 1.416 3 U 5.012E+02 0.000E+00 a 0 935 1636 1851 2.323 1.413 3 U 3.336E+02 0.000E+00 a 0 935 1636 1852 2.522 2.088 3 U 1.007E+03 0.000E+00 a 0 1078 1075 1853 2.524 1.942 3 U 1.010E+03 0.000E+00 a 0 1078 1076 1854 2.764 2.123 3 U 8.807E+02 0.000E+00 a 0 1387 1372 1855 2.848 1.416 3 U 5.835E+02 0.000E+00 a 0 1638 1636 1856 2.766 1.416 3 U 5.945E+02 0.000E+00 a 0 1387 1371 1857 2.769 0.770 3 U 5.112E+02 0.000E+00 a 0 1387 1368 1858 2.854 0.860 3 U 5.761E+02 0.000E+00 a 0 1638 1056 1859 2.856 0.672 3 U 5.016E+02 0.000E+00 a 0 1047 1545 1860 2.841 0.406 3 U 4.945E+02 0.000E+00 a 0 1047 1496 1861 2.817 0.820 3 U 5.281E+02 0.000E+00 a 0 1023 1535 1862 2.993 0.680 3 U 4.489E+02 0.000E+00 a 0 1624 1617 1863 3.017 1.554 3 U 6.859E+02 0.000E+00 a 0 1326 1325 1864 3.105 0.770 3 U 6.825E+02 0.000E+00 a 0 1010 1548 1865 3.111 0.672 3 U 1.396E+03 0.000E+00 a 0 1010 1545 1866 3.108 0.297 3 U 5.761E+02 0.000E+00 a 0 1010 1350 1867 3.143 0.307 3 U 5.026E+02 0.000E+00 a 0 1605 1350 1868 3.144 1.336 3 U 6.833E+02 0.000E+00 a 0 1590 1044 1869 3.149 1.440 3 U 6.014E+02 0.000E+00 a 0 1590 1045 1870 3.164 1.089 3 U 4.690E+02 0.000E+00 a 0 910 1355 1871 3.102 0.982 3 U 5.920E+02 0.000E+00 a 0 1010 1522 1872 3.074 1.535 3 U 7.490E+02 0.000E+00 a 0 1344 1341 1873 3.074 2.131 3 U 6.703E+02 0.000E+00 a 0 960 1435 1874 3.106 2.035 4 U 5.249E+02 0.000E+00 a 0 0 0 1875 2.933 2.030 3 U 4.147E+02 0.000E+00 a 0 1639 1053 1876 2.931 2.080 3 U 4.488E+02 0.000E+00 a 0 1051 2072 1877 2.934 2.123 4 U 4.105E+02 0.000E+00 a 0 902 1334 1878 2.834 1.947 3 U 4.796E+02 0.000E+00 a 0 1047 1025 1879 2.685 2.189 3 U 9.730E+02 0.000E+00 a 0 1482 1480 1880 2.929 2.306 3 U 5.685E+02 0.000E+00 a 0 945 1383 1881 2.929 2.406 3 U 5.250E+02 0.000E+00 a 0 1051 1541 1882 2.765 3.754 3 U 5.177E+02 0.000E+00 a 0 939 376 1883 1.086 3.471 3 U 7.492E+02 0.000E+00 a 0 1355 271 1884 1.042 3.487 3 U 5.901E+02 0.000E+00 a 0 1369 959 1885 0.673 4.897 4 U 7.061E+02 0.000E+00 a 0 0 0 1886 0.889 4.337 3 U 5.505E+02 0.000E+00 a 0 1402 345 1887 0.915 4.331 3 U 5.341E+02 0.000E+00 a 0 1357 363 1888 0.673 3.662 3 U 5.140E+02 0.000E+00 a 0 1874 319 1889 1.981 3.474 3 U 4.073E+02 0.000E+00 a 0 1378 271 1890 1.991 3.662 3 U 6.486E+02 0.000E+00 a 0 1378 319 1891 2.131 4.325 3 U 7.509E+02 0.000E+00 a 0 988 987 1892 1.676 4.074 3 U 1.482E+03 0.000E+00 a 0 1514 317 1893 1.559 3.924 3 U 7.012E+02 0.000E+00 a 0 1706 313 1894 1.484 3.906 3 U 8.339E+02 0.000E+00 a 0 1505 315 1895 1.536 3.627 3 U 6.502E+02 0.000E+00 a 0 1696 331 1896 1.305 4.031 3 U 9.033E+02 0.000E+00 a 0 1619 305 1897 1.338 4.028 3 U 5.738E+02 0.000E+00 a 0 1464 355 1898 1.211 4.074 3 U 5.876E+02 0.000E+00 a 0 1517 317 1899 1.544 4.637 3 U 4.249E+02 0.000E+00 a 0 981 311 1900 0.911 4.025 3 U 6.742E+02 0.000E+00 a 0 1357 303 1901 1.008 4.105 3 U 6.607E+02 0.000E+00 a 0 1445 359 1902 1.284 4.336 3 U 5.563E+02 0.000E+00 a 0 1470 987 1903 1.528 1.091 3 U 1.110E+03 0.000E+00 a 0 1498 1489 1904 1.524 0.769 3 U 6.893E+02 0.000E+00 a 0 1498 1548 1905 1.490 0.879 3 U 2.537E+03 0.000E+00 a 0 1403 1402 1906 1.479 1.342 3 U 1.160E+04 0.000E+00 a 0 1045 1044 1907 1.684 1.206 3 U 2.829E+03 0.000E+00 a 0 1514 1517 1908 1.758 1.334 3 U 1.296E+03 0.000E+00 a 0 1413 957 1909 1.655 0.278 4 U 5.195E+02 0.000E+00 a 0 0 0 1910 1.701 0.273 4 U 5.625E+02 0.000E+00 a 0 0 0 1911 1.688 0.422 3 U 4.401E+02 0.000E+00 a 0 1354 1074 1912 2.067 0.409 3 U 7.163E+02 0.000E+00 a 0 998 1496 1913 2.053 0.258 3 U 6.290E+02 0.000E+00 a 0 1370 930 1914 2.452 0.910 3 U 1.142E+03 0.000E+00 a 0 1380 1357 1915 2.404 0.991 3 U 7.329E+02 0.000E+00 a 0 1048 1497 1916 1.795 1.532 3 U 1.739E+03 0.000E+00 a 0 1318 1325 1917 1.795 1.532 3 U 1.739E+03 0.000E+00 a 0 1343 1341 1918 1.877 1.487 3 U 2.944E+03 0.000E+00 a 0 1001 1505 1919 1.012 0.240 3 U 6.850E+02 0.000E+00 a 0 926 930 1920 0.972 0.297 3 U 6.563E+02 0.000E+00 a 0 1533 1350 1921 0.841 0.240 3 U 6.802E+02 0.000E+00 a 0 1535 930 1922 0.843 0.411 3 U 1.606E+03 0.000E+00 a 0 1356 1074 1923 0.573 1.567 3 U 5.452E+02 0.000E+00 a 0 966 1447 1924 1.832 0.835 3 U 1.022E+03 0.000E+00 a 0 1631 1056 1925 2.049 0.771 3 U 3.901E+03 0.000E+00 a 0 1370 1368 1926 2.135 0.865 3 U 1.085E+03 0.000E+00 a 0 988 1471 1927 2.133 0.916 3 U 1.990E+03 0.000E+00 a 0 988 1472 1928 2.050 0.845 3 U 2.827E+03 0.000E+00 a 0 1460 1471 1929 2.136 1.083 3 U 2.244E+03 0.000E+00 a 0 988 1489 1930 2.134 0.987 3 U 3.892E+03 0.000E+00 a 0 988 1488 1931 1.895 1.028 3 U 8.085E+02 0.000E+00 a 0 1069 1070 1932 1.789 0.843 3 U 7.322E+02 0.000E+00 a 0 927 1356 1933 1.671 0.989 3 U 3.765E+03 0.000E+00 a 0 1347 1348 1934 2.041 1.347 3 U 1.281E+03 0.000E+00 a 0 1460 1464 1935 1.870 1.342 3 U 1.737E+03 0.000E+00 a 0 1884 1044 1936 0.977 2.280 4 U 1.445E+03 0.000E+00 a 0 0 0 1937 0.949 2.290 3 U 4.629E+02 0.000E+00 a 0 1533 1543 1938 0.786 2.284 3 U 4.542E+02 0.000E+00 a 0 1055 2070 1939 0.770 2.406 3 U 4.592E+02 0.000E+00 a 0 1548 1048 1940 0.771 1.819 3 U 4.754E+02 0.000E+00 a 0 1368 927 1941 1.083 2.056 3 U 5.401E+02 0.000E+00 a 0 1489 998 1942 1.159 2.056 3 U 1.002E+03 0.000E+00 a 0 1429 1370 1943 0.781 1.544 3 U 7.560E+02 0.000E+00 a 0 1548 1498 1944 0.775 0.944 3 U 6.565E+03 0.000E+00 a 0 1536 1533 1945 1.517 0.676 3 U 1.353E+03 0.000E+00 a 0 937 1874 1946 1.571 0.679 3 U 1.472E+03 0.000E+00 a 0 1621 1617 1947 1.535 3.065 3 U 6.587E+02 0.000E+00 a 0 1341 1344 1948 1.044 1.163 3 U 8.581E+03 0.000E+00 a 0 1070 1072 1949 0.912 1.108 3 U 2.082E+03 0.000E+00 a 0 1472 1489 1950 1.040 0.769 3 U 6.082E+03 0.000E+00 a 0 1369 1368 1951 1.014 0.780 3 U 4.336E+03 0.000E+00 a 0 1522 1548 1952 1.066 0.857 3 U 5.018E+03 0.000E+00 a 0 1355 1356 1953 1.316 1.067 3 U 1.978E+03 0.000E+00 a 0 957 950 1954 8.129 3.902 3 U 5.617E+02 0.000E+00 a 0 81 341 1955 7.672 1.923 3 U 6.480E+02 0.000E+00 a 0 212 1065 1956 3.601 4.461 3 U 1.900E+02 0.000E+00 a 0 1417 407 1957 3.721 3.512 3 U 1.011E+03 0.000E+00 a 0 1416 1593 1958 2.060 1.161 3 U 8.330E+02 0.000E+00 a 0 1370 1429 1959 2.105 1.161 3 U 1.192E+03 0.000E+00 a 0 1435 1429 1960 0.935 4.647 3 U 2.604E+03 0.000E+00 a 0 1472 311 1961 3.044 1.732 4 U 9.330E+02 0.000E+00 a 0 0 0 1962 0.844 1.670 3 U 8.053E+03 0.000E+00 a 0 1356 1354 1963 0.973 1.544 3 U 3.178E+03 0.000E+00 a 0 1497 1498 1964 0.665 3.478 3 U 2.196E+03 0.000E+00 a 0 1874 271 1965 1.406 0.679 3 U 8.294E+03 0.000E+00 a 0 1630 1875 1966 1.655 0.678 3 U 6.818E+03 0.000E+00 a 0 1600 1603 1967 1.697 0.672 3 U 8.538E+03 0.000E+00 a 0 1622 1617 1968 3.469 0.667 3 U 2.802E+03 0.000E+00 a 0 271 1874 1969 1.419 3.764 3 U 8.710E+02 0.000E+00 a 0 925 376 1970 2.081 4.332 3 U 1.066E+03 0.000E+00 a 0 944 363 1971 2.165 4.022 3 U 1.521E+03 0.000E+00 a 0 1459 355 1972 1.341 1.647 3 U 8.150E+03 0.000E+00 a 0 938 1377 1973 1.654 1.867 3 U 6.357E+03 0.000E+00 a 0 1046 1884 1974 7.283 4.124 3 U 8.147E+02 0.000E+00 a 0 218 275 1975 7.634 2.281 3 U 2.298E+03 0.000E+00 a 0 1684 1570 1976 8.481 0.673 3 U 1.002E+03 0.000E+00 a 0 98 1029 1977 8.127 6.773 3 U 4.982E+02 0.000E+00 a 0 54 1725 1978 5.443 8.121 3 U 5.832E+02 0.000E+00 a 0 372 194 1979 4.026 7.596 3 U 3.369E+02 0.000E+00 a 0 632 138 1980 4.037 7.588 3 U 1.770E+02 0.000E+00 a 0 305 60 1981 2.932 8.286 3 U 1.307E+03 0.000E+00 a 0 1443 163 1982 0.772 7.769 3 U 6.058E+02 0.000E+00 a 0 1548 135 1983 0.903 8.281 3 U 8.679E+02 0.000E+00 a 0 971 181 1984 1.696 2.996 3 U 6.280E+02 0.000E+00 a 0 1461 976 1985 1.010 1.566 3 U 4.152E+03 0.000E+00 a 0 1445 1447 1986 4.018 2.168 3 U 3.009E+03 0.000E+00 a 0 355 1459 1987 3.086 1.333 3 U 8.312E+02 0.000E+00 a 0 1589 1044 1988 3.068 1.683 3 U 1.208E+03 0.000E+00 a 0 1030 1027 1989 2.961 1.501 3 U 8.935E+02 0.000E+00 a 0 1508 1505 1990 2.458 1.165 3 U 9.044E+02 0.000E+00 a 0 1432 1429 1991 6.810 0.986 3 U 6.437E+02 0.000E+00 a 0 1726 1522 1992 1.643 3.911 3 U 9.040E+02 0.000E+00 a 0 1888 315 1993 1.414 0.761 3 U 2.799E+03 0.000E+00 a 0 1371 1368 1994 2.258 7.560 3 U 1.655E+03 0.000E+00 a 0 1528 51 1995 8.128 0.769 3 U 2.241E+03 0.000E+00 a 0 54 1548 1996 7.003 0.834 3 U 7.917E+02 0.000E+00 a 0 1714 1356 1997 6.800 1.670 3 U 8.280E+02 0.000E+00 a 0 1726 1885 1998 7.292 4.032 3 U 6.626E+02 0.000E+00 a 0 126 1642 1999 7.669 4.334 3 U 4.452E+02 0.000E+00 a 0 212 343 2000 6.647 8.401 3 U 4.581E+02 0.000E+00 a 0 1717 95 2001 6.769 8.124 3 U 4.605E+02 0.000E+00 a 0 1725 54 2002 4.012 8.124 3 U 1.138E+03 0.000E+00 a 0 309 265 2003 4.440 8.279 3 U 4.639E+02 0.000E+00 a 0 365 181 2004 2.263 7.614 3 U 8.422E+02 0.000E+00 a 0 1878 141 2005 1.016 6.907 3 U 4.406E+02 0.000E+00 a 0 926 122 2006 0.674 8.492 3 U 5.325E+02 0.000E+00 a 0 1029 98 2007 1.330 8.131 3 U 2.270E+02 0.000E+00 a 0 938 265 2008 3.793 3.099 3 U 7.040E+02 0.000E+00 a 0 337 1438 2009 4.357 1.482 3 U 7.407E+02 0.000E+00 a 0 287 1045 2010 4.232 2.280 3 U 5.700E+02 0.000E+00 a 0 639 1481 2011 4.244 2.277 3 U 2.690E+02 0.000E+00 a 0 2075 2070 2012 4.272 1.553 3 U 4.823E+02 0.000E+00 a 0 384 1448 2013 3.105 3.798 3 U 5.787E+02 0.000E+00 a 0 1438 337 2014 3.174 3.798 3 U 5.688E+02 0.000E+00 a 0 1439 337 2015 2.832 0.672 3 U 5.013E+02 0.000E+00 a 0 1047 1545 2016 3.077 1.044 3 U 6.059E+02 0.000E+00 a 0 960 1369 2017 0.857 4.259 3 U 6.329E+02 0.000E+00 a 0 1471 384 2018 1.600 1.416 3 U 8.799E+03 0.000E+00 a 0 1637 1636 2019 1.835 1.701 3 U 6.214E+03 0.000E+00 a 0 1704 1705 2020 1.400 3.782 0 U 1.010E+03 0.000E+00 a 0 1630 347 2021 2.051 4.332 0 U 7.949E+02 0.000E+00 a 0 1877 273 2022 2.182 4.021 0 U 8.841E+02 0.000E+00 a 0 912 303 2023 4.027 7.590 0 U 1.202E+02 0.000E+00 a 0 353 141 2024 4.046 7.565 0 U 1.768E+03 0.000E+00 a 0 299 141 2025 2.943 8.287 0 U 5.357E+02 0.000E+00 a 0 1443 181 2026 1.670 3.087 3 U 1.130E+03 0.000E+00 a 0 1885 1589 2027 0.938 1.673 0 U 2.191E+03 0.000E+00 a 0 1618 1621 2028 3.067 1.339 3 U 2.460E+02 0.000E+00 a 0 954 957 2029 1.336 8.130 0 U 3.835E+02 0.000E+00 a 0 1434 153 2030 4.237 2.278 0 U 2.250E+02 0.000E+00 a 0 2069 2070 2031 3.090 1.061 3 U 2.604E+02 0.000E+00 a 0 954 950 2032 2.115 1.331 3 U 1.232E+03 0.000E+00 a 0 1435 1434 2033 0.977 1.574 0 U 3.999E+03 0.000E+00 a 0 1523 1876 2034 1.702 3.033 0 U 3.670E+02 0.000E+00 a 0 1622 1624 2035 0.670 1.405 3 U 4.439E+03 0.000E+00 a 0 1874 1630 2036 0.670 1.405 3 U 4.439E+03 0.000E+00 a 0 1875 1630 2037 0.888 1.565 3 U 2.490E+03 0.000E+00 a 0 1402 1404 2038 0.888 1.565 3 U 2.250E+03 0.000E+00 a 0 1402 1405 2039 0.888 1.565 3 U 2.240E+03 0.000E+00 a 0 971 1447 2040 1.667 1.419 3 U 3.751E+03 0.000E+00 a 0 1347 925 2041 1.667 1.419 3 U 3.071E+03 0.000E+00 a 0 1027 1028 2042 1.667 1.419 3 U 3.269E+03 0.000E+00 a 0 1066 1636 2043 2.278 1.966 3 U 2.757E+03 0.000E+00 a 0 1481 1479 2044 2.278 1.966 3 U 2.757E+03 0.000E+00 a 0 2070 2073 2045 1.567 4.339 3 U 1.751E+03 0.000E+00 a 0 1404 345 2046 1.567 4.339 3 U 1.406E+03 0.000E+00 a 0 1876 273 2047 1.159 2.452 3 U 4.290E+02 0.000E+00 a 0 1659 1661 2048 1.159 2.452 3 U 4.290E+02 0.000E+00 a 0 1429 1432 2049 1.424 3.051 3 U 4.257E+02 0.000E+00 a 0 1463 976 2050 1.424 3.051 3 U 4.257E+02 0.000E+00 a 0 1028 1030 2051 1.347 2.166 3 U 6.310E+02 0.000E+00 a 0 1464 1459 2052 1.347 2.166 3 U 6.310E+02 0.000E+00 a 0 1578 1040 2053 1.420 1.667 3 U 3.652E+03 0.000E+00 a 0 925 1347 2054 1.420 1.667 3 U 3.178E+03 0.000E+00 a 0 1028 1027 2055 1.420 1.667 3 U 3.132E+03 0.000E+00 a 0 1636 1066 2056 7.595 4.032 3 U 1.650E+03 0.000E+00 a 0 141 353 2057 7.595 4.032 3 U 1.700E+03 0.000E+00 a 0 60 305 2058 7.595 4.032 3 U 1.720E+03 0.000E+00 a 0 138 632 2059 8.478 1.678 3 U 6.811E+02 0.000E+00 a 0 175 1347 2060 8.478 1.678 3 U 3.406E+02 0.000E+00 a 0 168 1514 2061 8.129 1.666 3 U 2.743E+03 0.000E+00 a 0 81 1354 2062 8.129 1.666 3 U 2.743E+03 0.000E+00 a 0 265 1377 2063 8.218 4.059 3 U 1.097E+03 0.000E+00 a 0 86 321 2064 8.218 4.059 3 U 1.097E+03 0.000E+00 a 0 89 1583 2065 8.124 8.490 3 U 2.343E+02 0.000E+00 a 0 54 98 2066 8.124 8.490 3 U 3.513E+02 0.000E+00 a 0 194 98 2067 2.930 7.688 3 U 2.387E+02 0.000E+00 a 0 902 1671 2068 2.930 7.688 3 U 2.387E+02 0.000E+00 a 0 945 1676 2069 1.664 8.130 3 U 1.494E+03 0.000E+00 a 0 1354 81 2070 1.664 8.130 3 U 1.494E+03 0.000E+00 a 0 1377 265 2071 1.319 2.098 3 U 6.050E+02 0.000E+00 a 0 957 1410 2072 1.319 2.098 3 U 4.930E+02 0.000E+00 a 0 1434 1435 2073 0.938 1.658 3 U 8.065E+02 0.000E+00 a 0 1472 1469 2074 0.938 1.658 3 U 8.065E+02 0.000E+00 a 0 1533 1017 2075 3.092 1.661 3 U 5.520E+02 0.000E+00 a 0 1589 1046 2076 3.092 1.661 3 U 5.700E+02 0.000E+00 a 0 1589 1885 2077 3.019 1.435 3 U 2.810E+02 0.000E+00 a 0 1326 1324 2078 3.019 1.435 3 U 2.570E+02 0.000E+00 a 0 976 1463 2079 4.334 7.537 3 U 3.434E+02 0.000E+00 a 0 273 51 2080 4.334 7.537 3 U 5.150E+02 0.000E+00 a 0 343 45 2081 4.335 7.297 3 U 5.450E+02 0.000E+00 a 0 345 129 2082 4.335 7.297 3 U 4.800E+02 0.000E+00 a 0 343 126 2083 0.973 2.069 3 U 2.060E+03 0.000E+00 a 0 1497 998 2084 0.973 2.069 3 U 1.940E+03 0.000E+00 a 0 1523 1877 2085 7.159 7.226 3 U 5.370E+03 0.000E+00 a 0 1892 1891 2086 7.159 7.226 3 U 5.370E+03 0.000E+00 a 0 1892 1715 2087 7.222 7.164 3 U 4.670E+03 0.000E+00 a 0 1891 1892 2088 7.222 7.164 3 U 4.670E+03 0.000E+00 a 0 1715 1892 2089 6.769 1.647 3 U 2.159E+02 0.000E+00 a 0 1725 1046 2090 6.769 1.647 3 U 2.159E+02 0.000E+00 a 0 1724 1046 2091 7.776 0.767 3 U 4.280E+02 0.000E+00 a 0 135 1548 2092 7.776 0.767 3 U 4.740E+02 0.000E+00 a 0 135 1604 2093 4.519 2.916 3 U 3.731E+02 0.000E+00 a 0 482 1051 2094 4.519 2.916 3 U 1.599E+02 0.000E+00 a 0 378 1051 2095 2.828 1.671 3 U 2.433E+02 0.000E+00 a 0 1003 1514 2096 2.828 1.671 3 U 3.649E+02 0.000E+00 a 0 1638 1066 2097 1.697 1.554 3 U 6.205E+03 0.000E+00 a 0 1705 1706 2098 1.697 1.554 3 U 6.205E+03 0.000E+00 a 0 1622 1621 2099 1.831 1.550 3 U 1.010E+03 0.000E+00 a 0 1318 1325 2100 1.831 1.550 3 U 1.450E+03 0.000E+00 a 0 1704 1706 2101 2.023 0.907 3 U 1.430E+03 0.000E+00 a 0 2061 2062 2102 2.023 0.907 3 U 1.370E+03 0.000E+00 a 0 974 971 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H 2 . 14 ppm . . . 4.7 . . 34449 1 2 . . H 1 H 1 . 10 ppm . . . 4.7 . . 34449 1 stop_ save_