data_27693 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27693 _Entry.Title ; Backbone and Sidechian 1H, 13C, and 15N Chemical Shift Assignments for Escherichia Coli Periplasmic Chaperone HdeA at pH 1.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-19 _Entry.Accession_date 2018-11-19 _Entry.Last_release_date 2018-11-19 _Entry.Original_release_date 2018-11-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Xing-Chi Yu . . . . 27693 2 Changwen Jin . . . . 27693 3 Yunfei Hu . . . . 27693 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27693 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27693 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 27693 '15N chemical shifts' 84 27693 '1H chemical shifts' 531 27693 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-03-21 2018-11-19 update BMRB 'update entry citation' 27693 1 . . 2018-12-19 2018-11-19 original author 'original release' 27693 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19165 'Backbone and side chain chemical shift assignments of inactive HdeA' 27693 PDB 5WYO 'solution NMR structure of inactive HdeA' 27693 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27693 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30573682 _Citation.Full_citation . _Citation.Title ; Structural basis and mechanism of the unfolding-induced activation of HdeA, a bacterial acid response chaperone ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 294 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3192 _Citation.Page_last 3206 _Citation.Year 2019 _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 Xing-Chi Yu . . . . 27693 1 2 Yunfei Hu . . . . 27693 1 3 Jienv Ding . . . . 27693 1 4 Hongwei Li . . . . 27693 1 5 Changwen Jin . . . . 27693 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'acid resistant' 27693 1 'active conformation' 27693 1 chaperone 27693 1 'conditional disorder' 27693 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27693 _Assembly.ID 1 _Assembly.Name 'activated HdeA' _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 'HdeA monomer' 1 $HdeA_F28W A . yes 'intrinsically disordered' no no . . . 27693 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 66 66 SG . . . . . . . . . . . . 27693 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HdeA_F28W _Entity.Sf_category entity _Entity.Sf_framecode HdeA_F28W _Entity.Entry_ID 27693 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HdeA_F28W _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADAQKAADNKKPVNSWTCED FLAVDESWQPTAVGFAEALN NKDKPEDAVLDVQGIATVTP AIVQACTQDKQANFKDKVKG EWDKIKKDM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The sequence is numbered according to the mature protein in which the signal peptide is cleaved.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation F28W _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9779.95 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 27693 1 2 . ASP . 27693 1 3 . ALA . 27693 1 4 . GLN . 27693 1 5 . LYS . 27693 1 6 . ALA . 27693 1 7 . ALA . 27693 1 8 . ASP . 27693 1 9 . ASN . 27693 1 10 . LYS . 27693 1 11 . LYS . 27693 1 12 . PRO . 27693 1 13 . VAL . 27693 1 14 . ASN . 27693 1 15 . SER . 27693 1 16 . TRP . 27693 1 17 . THR . 27693 1 18 . CYS . 27693 1 19 . GLU . 27693 1 20 . ASP . 27693 1 21 . PHE . 27693 1 22 . LEU . 27693 1 23 . ALA . 27693 1 24 . VAL . 27693 1 25 . ASP . 27693 1 26 . GLU . 27693 1 27 . SER . 27693 1 28 . TRP . 27693 1 29 . GLN . 27693 1 30 . PRO . 27693 1 31 . THR . 27693 1 32 . ALA . 27693 1 33 . VAL . 27693 1 34 . GLY . 27693 1 35 . PHE . 27693 1 36 . ALA . 27693 1 37 . GLU . 27693 1 38 . ALA . 27693 1 39 . LEU . 27693 1 40 . ASN . 27693 1 41 . ASN . 27693 1 42 . LYS . 27693 1 43 . ASP . 27693 1 44 . LYS . 27693 1 45 . PRO . 27693 1 46 . GLU . 27693 1 47 . ASP . 27693 1 48 . ALA . 27693 1 49 . VAL . 27693 1 50 . LEU . 27693 1 51 . ASP . 27693 1 52 . VAL . 27693 1 53 . GLN . 27693 1 54 . GLY . 27693 1 55 . ILE . 27693 1 56 . ALA . 27693 1 57 . THR . 27693 1 58 . VAL . 27693 1 59 . THR . 27693 1 60 . PRO . 27693 1 61 . ALA . 27693 1 62 . ILE . 27693 1 63 . VAL . 27693 1 64 . GLN . 27693 1 65 . ALA . 27693 1 66 . CYS . 27693 1 67 . THR . 27693 1 68 . GLN . 27693 1 69 . ASP . 27693 1 70 . LYS . 27693 1 71 . GLN . 27693 1 72 . ALA . 27693 1 73 . ASN . 27693 1 74 . PHE . 27693 1 75 . LYS . 27693 1 76 . ASP . 27693 1 77 . LYS . 27693 1 78 . VAL . 27693 1 79 . LYS . 27693 1 80 . GLY . 27693 1 81 . GLU . 27693 1 82 . TRP . 27693 1 83 . ASP . 27693 1 84 . LYS . 27693 1 85 . ILE . 27693 1 86 . LYS . 27693 1 87 . LYS . 27693 1 88 . ASP . 27693 1 89 . MET . 27693 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 27693 1 . ASP 2 2 27693 1 . ALA 3 3 27693 1 . GLN 4 4 27693 1 . LYS 5 5 27693 1 . ALA 6 6 27693 1 . ALA 7 7 27693 1 . ASP 8 8 27693 1 . ASN 9 9 27693 1 . LYS 10 10 27693 1 . LYS 11 11 27693 1 . PRO 12 12 27693 1 . VAL 13 13 27693 1 . ASN 14 14 27693 1 . SER 15 15 27693 1 . TRP 16 16 27693 1 . THR 17 17 27693 1 . CYS 18 18 27693 1 . GLU 19 19 27693 1 . ASP 20 20 27693 1 . PHE 21 21 27693 1 . LEU 22 22 27693 1 . ALA 23 23 27693 1 . VAL 24 24 27693 1 . ASP 25 25 27693 1 . GLU 26 26 27693 1 . SER 27 27 27693 1 . TRP 28 28 27693 1 . GLN 29 29 27693 1 . PRO 30 30 27693 1 . THR 31 31 27693 1 . ALA 32 32 27693 1 . VAL 33 33 27693 1 . GLY 34 34 27693 1 . PHE 35 35 27693 1 . ALA 36 36 27693 1 . GLU 37 37 27693 1 . ALA 38 38 27693 1 . LEU 39 39 27693 1 . ASN 40 40 27693 1 . ASN 41 41 27693 1 . LYS 42 42 27693 1 . ASP 43 43 27693 1 . LYS 44 44 27693 1 . PRO 45 45 27693 1 . GLU 46 46 27693 1 . ASP 47 47 27693 1 . ALA 48 48 27693 1 . VAL 49 49 27693 1 . LEU 50 50 27693 1 . ASP 51 51 27693 1 . VAL 52 52 27693 1 . GLN 53 53 27693 1 . GLY 54 54 27693 1 . ILE 55 55 27693 1 . ALA 56 56 27693 1 . THR 57 57 27693 1 . VAL 58 58 27693 1 . THR 59 59 27693 1 . PRO 60 60 27693 1 . ALA 61 61 27693 1 . ILE 62 62 27693 1 . VAL 63 63 27693 1 . GLN 64 64 27693 1 . ALA 65 65 27693 1 . CYS 66 66 27693 1 . THR 67 67 27693 1 . GLN 68 68 27693 1 . ASP 69 69 27693 1 . LYS 70 70 27693 1 . GLN 71 71 27693 1 . ALA 72 72 27693 1 . ASN 73 73 27693 1 . PHE 74 74 27693 1 . LYS 75 75 27693 1 . ASP 76 76 27693 1 . LYS 77 77 27693 1 . VAL 78 78 27693 1 . LYS 79 79 27693 1 . GLY 80 80 27693 1 . GLU 81 81 27693 1 . TRP 82 82 27693 1 . ASP 83 83 27693 1 . LYS 84 84 27693 1 . ILE 85 85 27693 1 . LYS 86 86 27693 1 . LYS 87 87 27693 1 . ASP 88 88 27693 1 . MET 89 89 27693 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 27693 _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 $HdeA_F28W . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27693 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 27693 _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 $HdeA_F28W . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-28a(+) . . . 27693 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27693 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 HdeA_F28W '[U-100% 13C; U-100% 15N]' . . 1 $HdeA_F28W . . 0.5 . . mM . . . . 27693 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27693 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 27693 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27693 1 5 'citric acid' 'natural abundance' . . . . . . 45 . . mM . . . . 27693 1 6 DSS 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 27693 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 27693 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27693 1 pH 1.5 . pH 27693 1 pressure 1 . atm 27693 1 temperature 298 . K 27693 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27693 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 27693 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27693 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27693 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version v5.0.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27693 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27693 2 'data analysis' 27693 2 'peak picking' 27693 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27693 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27693 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Bruker Avance . 700 . . . 27693 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 27693 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27693 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27693 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27693 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27693 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27693 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27693 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27693 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27693 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27693 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27693 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27693 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_assignments_HdeA _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_HdeA _Assigned_chem_shift_list.Entry_ID 27693 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27693 1 2 '3D HNCA' . . . 27693 1 3 '3D HN(CO)CA' . . . 27693 1 4 '3D HNCACB' . . . 27693 1 5 '3D HBHA(CO)NH' . . . 27693 1 6 '3D HNCO' . . . 27693 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.141 0.02 . 1 . . . . . 1 ALA HA . 27693 1 2 . 1 1 1 1 ALA HB1 H 1 1.565 0.02 . 1 . . . . . 1 ALA HB1 . 27693 1 3 . 1 1 1 1 ALA HB2 H 1 1.565 0.02 . 1 . . . . . 1 ALA HB1 . 27693 1 4 . 1 1 1 1 ALA HB3 H 1 1.565 0.02 . 1 . . . . . 1 ALA HB1 . 27693 1 5 . 1 1 1 1 ALA C C 13 173.629 0.3 . 1 . . . . . 1 ALA C . 27693 1 6 . 1 1 1 1 ALA CA C 13 51.865 0.3 . 1 . . . . . 1 ALA CA . 27693 1 7 . 1 1 1 1 ALA CB C 13 19.349 0.3 . 1 . . . . . 1 ALA CB . 27693 1 8 . 1 1 2 2 ASP H H 1 8.854 0.02 . 1 . . . . . 2 ASP HN . 27693 1 9 . 1 1 2 2 ASP HA H 1 4.767 0.02 . 1 . . . . . 2 ASP HA . 27693 1 10 . 1 1 2 2 ASP HB2 H 1 2.880 0.02 . 2 . . . . . 2 ASP HB1 . 27693 1 11 . 1 1 2 2 ASP HB3 H 1 3.000 0.02 . 2 . . . . . 2 ASP HB2 . 27693 1 12 . 1 1 2 2 ASP C C 13 174.693 0.3 . 1 . . . . . 2 ASP C . 27693 1 13 . 1 1 2 2 ASP CA C 13 52.910 0.3 . 1 . . . . . 2 ASP CA . 27693 1 14 . 1 1 2 2 ASP CB C 13 38.111 0.3 . 1 . . . . . 2 ASP CB . 27693 1 15 . 1 1 2 2 ASP N N 15 119.094 0.3 . 1 . . . . . 2 ASP N . 27693 1 16 . 1 1 3 3 ALA H H 1 8.534 0.02 . 1 . . . . . 3 ALA HN . 27693 1 17 . 1 1 3 3 ALA HA H 1 4.334 0.02 . 1 . . . . . 3 ALA HA . 27693 1 18 . 1 1 3 3 ALA HB1 H 1 1.423 0.02 . 1 . . . . . 3 ALA HB1 . 27693 1 19 . 1 1 3 3 ALA HB2 H 1 1.423 0.02 . 1 . . . . . 3 ALA HB1 . 27693 1 20 . 1 1 3 3 ALA HB3 H 1 1.423 0.02 . 1 . . . . . 3 ALA HB1 . 27693 1 21 . 1 1 3 3 ALA C C 13 177.732 0.3 . 1 . . . . . 3 ALA C . 27693 1 22 . 1 1 3 3 ALA CA C 13 52.853 0.3 . 1 . . . . . 3 ALA CA . 27693 1 23 . 1 1 3 3 ALA CB C 13 19.177 0.3 . 1 . . . . . 3 ALA CB . 27693 1 24 . 1 1 3 3 ALA N N 15 125.531 0.3 . 1 . . . . . 3 ALA N . 27693 1 25 . 1 1 4 4 GLN H H 1 8.345 0.02 . 1 . . . . . 4 GLN HN . 27693 1 26 . 1 1 4 4 GLN HA H 1 4.315 0.02 . 1 . . . . . 4 GLN HA . 27693 1 27 . 1 1 4 4 GLN HB2 H 1 2.028 0.02 . 2 . . . . . 4 GLN HB1 . 27693 1 28 . 1 1 4 4 GLN HB3 H 1 2.118 0.02 . 2 . . . . . 4 GLN HB2 . 27693 1 29 . 1 1 4 4 GLN HG2 H 1 2.415 0.02 . 2 . . . . . 4 GLN HG1 . 27693 1 30 . 1 1 4 4 GLN HG3 H 1 2.415 0.02 . 2 . . . . . 4 GLN HG2 . 27693 1 31 . 1 1 4 4 GLN C C 13 176.133 0.3 . 1 . . . . . 4 GLN C . 27693 1 32 . 1 1 4 4 GLN CA C 13 56.073 0.3 . 1 . . . . . 4 GLN CA . 27693 1 33 . 1 1 4 4 GLN CB C 13 29.457 0.3 . 1 . . . . . 4 GLN CB . 27693 1 34 . 1 1 4 4 GLN CG C 13 33.943 0.3 . 1 . . . . . 4 GLN CG . 27693 1 35 . 1 1 4 4 GLN N N 15 119.604 0.3 . 1 . . . . . 4 GLN N . 27693 1 36 . 1 1 5 5 LYS H H 1 8.290 0.02 . 1 . . . . . 5 LYS HN . 27693 1 37 . 1 1 5 5 LYS HA H 1 4.302 0.02 . 1 . . . . . 5 LYS HA . 27693 1 38 . 1 1 5 5 LYS HB2 H 1 1.774 0.02 . 2 . . . . . 5 LYS HB1 . 27693 1 39 . 1 1 5 5 LYS HB3 H 1 1.864 0.02 . 2 . . . . . 5 LYS HB2 . 27693 1 40 . 1 1 5 5 LYS HG2 H 1 1.467 0.02 . 2 . . . . . 5 LYS HG1 . 27693 1 41 . 1 1 5 5 LYS HG3 H 1 1.467 0.02 . 2 . . . . . 5 LYS HG2 . 27693 1 42 . 1 1 5 5 LYS HD2 H 1 1.720 0.02 . 2 . . . . . 5 LYS HD1 . 27693 1 43 . 1 1 5 5 LYS HD3 H 1 1.720 0.02 . 2 . . . . . 5 LYS HD2 . 27693 1 44 . 1 1 5 5 LYS HE2 H 1 3.039 0.02 . 2 . . . . . 5 LYS HE1 . 27693 1 45 . 1 1 5 5 LYS HE3 H 1 3.039 0.02 . 2 . . . . . 5 LYS HE2 . 27693 1 46 . 1 1 5 5 LYS C C 13 176.443 0.3 . 1 . . . . . 5 LYS C . 27693 1 47 . 1 1 5 5 LYS CA C 13 56.423 0.3 . 1 . . . . . 5 LYS CA . 27693 1 48 . 1 1 5 5 LYS CB C 13 33.090 0.3 . 1 . . . . . 5 LYS CB . 27693 1 49 . 1 1 5 5 LYS CG C 13 24.785 0.3 . 1 . . . . . 5 LYS CG . 27693 1 50 . 1 1 5 5 LYS CD C 13 29.123 0.3 . 1 . . . . . 5 LYS CD . 27693 1 51 . 1 1 5 5 LYS CE C 13 42.220 0.3 . 1 . . . . . 5 LYS CE . 27693 1 52 . 1 1 5 5 LYS N N 15 122.817 0.3 . 1 . . . . . 5 LYS N . 27693 1 53 . 1 1 6 6 ALA H H 1 8.329 0.02 . 1 . . . . . 6 ALA HN . 27693 1 54 . 1 1 6 6 ALA HA H 1 4.307 0.02 . 1 . . . . . 6 ALA HA . 27693 1 55 . 1 1 6 6 ALA HB1 H 1 1.420 0.02 . 1 . . . . . 6 ALA HB1 . 27693 1 56 . 1 1 6 6 ALA HB2 H 1 1.420 0.02 . 1 . . . . . 6 ALA HB1 . 27693 1 57 . 1 1 6 6 ALA HB3 H 1 1.420 0.02 . 1 . . . . . 6 ALA HB1 . 27693 1 58 . 1 1 6 6 ALA C C 13 177.636 0.3 . 1 . . . . . 6 ALA C . 27693 1 59 . 1 1 6 6 ALA CA C 13 52.644 0.3 . 1 . . . . . 6 ALA CA . 27693 1 60 . 1 1 6 6 ALA CB C 13 19.277 0.3 . 1 . . . . . 6 ALA CB . 27693 1 61 . 1 1 6 6 ALA N N 15 125.517 0.3 . 1 . . . . . 6 ALA N . 27693 1 62 . 1 1 7 7 ALA H H 1 8.309 0.02 . 1 . . . . . 7 ALA HN . 27693 1 63 . 1 1 7 7 ALA HA H 1 4.302 0.02 . 1 . . . . . 7 ALA HA . 27693 1 64 . 1 1 7 7 ALA HB1 H 1 1.420 0.02 . 1 . . . . . 7 ALA HB1 . 27693 1 65 . 1 1 7 7 ALA HB2 H 1 1.420 0.02 . 1 . . . . . 7 ALA HB1 . 27693 1 66 . 1 1 7 7 ALA HB3 H 1 1.420 0.02 . 1 . . . . . 7 ALA HB1 . 27693 1 67 . 1 1 7 7 ALA C C 13 177.734 0.3 . 1 . . . . . 7 ALA C . 27693 1 68 . 1 1 7 7 ALA CA C 13 52.650 0.3 . 1 . . . . . 7 ALA CA . 27693 1 69 . 1 1 7 7 ALA CB C 13 19.225 0.3 . 1 . . . . . 7 ALA CB . 27693 1 70 . 1 1 7 7 ALA N N 15 123.266 0.3 . 1 . . . . . 7 ALA N . 27693 1 71 . 1 1 8 8 ASP H H 1 8.397 0.02 . 1 . . . . . 8 ASP HN . 27693 1 72 . 1 1 8 8 ASP HA H 1 4.730 0.02 . 1 . . . . . 8 ASP HA . 27693 1 73 . 1 1 8 8 ASP HB2 H 1 2.893 0.02 . 2 . . . . . 8 ASP HB1 . 27693 1 74 . 1 1 8 8 ASP HB3 H 1 2.987 0.02 . 2 . . . . . 8 ASP HB2 . 27693 1 75 . 1 1 8 8 ASP C C 13 174.920 0.3 . 1 . . . . . 8 ASP C . 27693 1 76 . 1 1 8 8 ASP CA C 13 52.828 0.3 . 1 . . . . . 8 ASP CA . 27693 1 77 . 1 1 8 8 ASP CB C 13 38.039 0.3 . 1 . . . . . 8 ASP CB . 27693 1 78 . 1 1 8 8 ASP N N 15 117.859 0.3 . 1 . . . . . 8 ASP N . 27693 1 79 . 1 1 9 9 ASN H H 1 8.331 0.02 . 1 . . . . . 9 ASN HN . 27693 1 80 . 1 1 9 9 ASN HA H 1 4.727 0.02 . 1 . . . . . 9 ASN HA . 27693 1 81 . 1 1 9 9 ASN HB2 H 1 2.814 0.02 . 2 . . . . . 9 ASN HB1 . 27693 1 82 . 1 1 9 9 ASN HB3 H 1 2.850 0.02 . 2 . . . . . 9 ASN HB2 . 27693 1 83 . 1 1 9 9 ASN C C 13 175.047 0.3 . 1 . . . . . 9 ASN C . 27693 1 84 . 1 1 9 9 ASN CA C 13 53.296 0.3 . 1 . . . . . 9 ASN CA . 27693 1 85 . 1 1 9 9 ASN CB C 13 38.819 0.3 . 1 . . . . . 9 ASN CB . 27693 1 86 . 1 1 9 9 ASN N N 15 119.586 0.3 . 1 . . . . . 9 ASN N . 27693 1 87 . 1 1 10 10 LYS H H 1 8.167 0.02 . 1 . . . . . 10 LYS HN . 27693 1 88 . 1 1 10 10 LYS HA H 1 4.355 0.02 . 1 . . . . . 10 LYS HA . 27693 1 89 . 1 1 10 10 LYS HB2 H 1 1.769 0.02 . 2 . . . . . 10 LYS HB1 . 27693 1 90 . 1 1 10 10 LYS HB3 H 1 1.858 0.02 . 2 . . . . . 10 LYS HB2 . 27693 1 91 . 1 1 10 10 LYS HG2 H 1 1.420 0.02 . 2 . . . . . 10 LYS HG1 . 27693 1 92 . 1 1 10 10 LYS HG3 H 1 1.480 0.02 . 2 . . . . . 10 LYS HG2 . 27693 1 93 . 1 1 10 10 LYS HD2 H 1 1.714 0.02 . 2 . . . . . 10 LYS HD1 . 27693 1 94 . 1 1 10 10 LYS HD3 H 1 1.714 0.02 . 2 . . . . . 10 LYS HD2 . 27693 1 95 . 1 1 10 10 LYS HE2 H 1 2.948 0.02 . 2 . . . . . 10 LYS HE1 . 27693 1 96 . 1 1 10 10 LYS HE3 H 1 3.039 0.02 . 2 . . . . . 10 LYS HE2 . 27693 1 97 . 1 1 10 10 LYS C C 13 176.332 0.3 . 1 . . . . . 10 LYS C . 27693 1 98 . 1 1 10 10 LYS CA C 13 56.192 0.3 . 1 . . . . . 10 LYS CA . 27693 1 99 . 1 1 10 10 LYS CB C 13 32.998 0.3 . 1 . . . . . 10 LYS CB . 27693 1 100 . 1 1 10 10 LYS CG C 13 24.799 0.3 . 1 . . . . . 10 LYS CG . 27693 1 101 . 1 1 10 10 LYS CD C 13 29.010 0.3 . 1 . . . . . 10 LYS CD . 27693 1 102 . 1 1 10 10 LYS CE C 13 42.147 0.3 . 1 . . . . . 10 LYS CE . 27693 1 103 . 1 1 10 10 LYS N N 15 121.488 0.3 . 1 . . . . . 10 LYS N . 27693 1 104 . 1 1 11 11 LYS H H 1 8.308 0.02 . 1 . . . . . 11 LYS HN . 27693 1 105 . 1 1 11 11 LYS HA H 1 4.607 0.02 . 1 . . . . . 11 LYS HA . 27693 1 106 . 1 1 11 11 LYS HB2 H 1 1.749 0.02 . 2 . . . . . 11 LYS HB1 . 27693 1 107 . 1 1 11 11 LYS HB3 H 1 1.831 0.02 . 2 . . . . . 11 LYS HB2 . 27693 1 108 . 1 1 11 11 LYS HG2 H 1 1.355 0.02 . 2 . . . . . 11 LYS HG1 . 27693 1 109 . 1 1 11 11 LYS HG3 H 1 1.462 0.02 . 2 . . . . . 11 LYS HG2 . 27693 1 110 . 1 1 11 11 LYS HD2 H 1 1.696 0.02 . 2 . . . . . 11 LYS HD1 . 27693 1 111 . 1 1 11 11 LYS HD3 H 1 1.696 0.02 . 2 . . . . . 11 LYS HD2 . 27693 1 112 . 1 1 11 11 LYS HE2 H 1 3.011 0.02 . 2 . . . . . 11 LYS HE1 . 27693 1 113 . 1 1 11 11 LYS HE3 H 1 3.011 0.02 . 2 . . . . . 11 LYS HE2 . 27693 1 114 . 1 1 11 11 LYS C C 13 174.567 0.3 . 1 . . . . . 11 LYS C . 27693 1 115 . 1 1 11 11 LYS CA C 13 54.299 0.3 . 1 . . . . . 11 LYS CA . 27693 1 116 . 1 1 11 11 LYS CB C 13 32.539 0.3 . 1 . . . . . 11 LYS CB . 27693 1 117 . 1 1 11 11 LYS CG C 13 24.653 0.3 . 1 . . . . . 11 LYS CG . 27693 1 118 . 1 1 11 11 LYS CD C 13 29.155 0.3 . 1 . . . . . 11 LYS CD . 27693 1 119 . 1 1 11 11 LYS CE C 13 42.264 0.3 . 1 . . . . . 11 LYS CE . 27693 1 120 . 1 1 11 11 LYS N N 15 124.122 0.3 . 1 . . . . . 11 LYS N . 27693 1 121 . 1 1 12 12 PRO HA H 1 4.475 0.02 . 1 . . . . . 12 PRO HA . 27693 1 122 . 1 1 12 12 PRO HB2 H 1 1.911 0.02 . 2 . . . . . 12 PRO HB1 . 27693 1 123 . 1 1 12 12 PRO HB3 H 1 2.303 0.02 . 2 . . . . . 12 PRO HB2 . 27693 1 124 . 1 1 12 12 PRO HG2 H 1 2.034 0.02 . 2 . . . . . 12 PRO HG1 . 27693 1 125 . 1 1 12 12 PRO HG3 H 1 2.034 0.02 . 2 . . . . . 12 PRO HG2 . 27693 1 126 . 1 1 12 12 PRO HD2 H 1 3.784 0.02 . 2 . . . . . 12 PRO HD1 . 27693 1 127 . 1 1 12 12 PRO HD3 H 1 3.855 0.02 . 2 . . . . . 12 PRO HD2 . 27693 1 128 . 1 1 12 12 PRO C C 13 176.924 0.3 . 1 . . . . . 12 PRO C . 27693 1 129 . 1 1 12 12 PRO CA C 13 63.048 0.3 . 1 . . . . . 12 PRO CA . 27693 1 130 . 1 1 12 12 PRO CB C 13 32.149 0.3 . 1 . . . . . 12 PRO CB . 27693 1 131 . 1 1 12 12 PRO CG C 13 27.503 0.3 . 1 . . . . . 12 PRO CG . 27693 1 132 . 1 1 12 12 PRO CD C 13 50.717 0.3 . 1 . . . . . 12 PRO CD . 27693 1 133 . 1 1 13 13 VAL H H 1 8.305 0.02 . 1 . . . . . 13 VAL HN . 27693 1 134 . 1 1 13 13 VAL HA H 1 4.038 0.02 . 1 . . . . . 13 VAL HA . 27693 1 135 . 1 1 13 13 VAL HB H 1 2.043 0.02 . 1 . . . . . 13 VAL HB . 27693 1 136 . 1 1 13 13 VAL HG11 H 1 0.936 0.02 . 2 . . . . . 13 VAL HG11 . 27693 1 137 . 1 1 13 13 VAL HG12 H 1 0.936 0.02 . 2 . . . . . 13 VAL HG11 . 27693 1 138 . 1 1 13 13 VAL HG13 H 1 0.936 0.02 . 2 . . . . . 13 VAL HG11 . 27693 1 139 . 1 1 13 13 VAL HG21 H 1 0.936 0.02 . 2 . . . . . 13 VAL HG21 . 27693 1 140 . 1 1 13 13 VAL HG22 H 1 0.936 0.02 . 2 . . . . . 13 VAL HG21 . 27693 1 141 . 1 1 13 13 VAL HG23 H 1 0.936 0.02 . 2 . . . . . 13 VAL HG21 . 27693 1 142 . 1 1 13 13 VAL C C 13 175.972 0.3 . 1 . . . . . 13 VAL C . 27693 1 143 . 1 1 13 13 VAL CA C 13 62.413 0.3 . 1 . . . . . 13 VAL CA . 27693 1 144 . 1 1 13 13 VAL CB C 13 32.818 0.3 . 1 . . . . . 13 VAL CB . 27693 1 145 . 1 1 13 13 VAL CG1 C 13 20.683 0.3 . 1 . . . . . 13 VAL CG1 . 27693 1 146 . 1 1 13 13 VAL CG2 C 13 21.154 0.3 . 1 . . . . . 13 VAL CG2 . 27693 1 147 . 1 1 13 13 VAL N N 15 120.648 0.3 . 1 . . . . . 13 VAL N . 27693 1 148 . 1 1 14 14 ASN H H 1 8.444 0.02 . 1 . . . . . 14 ASN HN . 27693 1 149 . 1 1 14 14 ASN HA H 1 4.722 0.02 . 1 . . . . . 14 ASN HA . 27693 1 150 . 1 1 14 14 ASN HB2 H 1 2.694 0.02 . 2 . . . . . 14 ASN HB1 . 27693 1 151 . 1 1 14 14 ASN HB3 H 1 2.694 0.02 . 2 . . . . . 14 ASN HB2 . 27693 1 152 . 1 1 14 14 ASN C C 13 175.044 0.3 . 1 . . . . . 14 ASN C . 27693 1 153 . 1 1 14 14 ASN CA C 13 53.180 0.3 . 1 . . . . . 14 ASN CA . 27693 1 154 . 1 1 14 14 ASN CB C 13 39.039 0.3 . 1 . . . . . 14 ASN CB . 27693 1 155 . 1 1 14 14 ASN N N 15 121.933 0.3 . 1 . . . . . 14 ASN N . 27693 1 156 . 1 1 15 15 SER H H 1 8.236 0.02 . 1 . . . . . 15 SER HN . 27693 1 157 . 1 1 15 15 SER HA H 1 4.461 0.02 . 1 . . . . . 15 SER HA . 27693 1 158 . 1 1 15 15 SER HB2 H 1 3.828 0.02 . 2 . . . . . 15 SER HB1 . 27693 1 159 . 1 1 15 15 SER HB3 H 1 3.883 0.02 . 2 . . . . . 15 SER HB2 . 27693 1 160 . 1 1 15 15 SER C C 13 174.108 0.3 . 1 . . . . . 15 SER C . 27693 1 161 . 1 1 15 15 SER CA C 13 58.591 0.3 . 1 . . . . . 15 SER CA . 27693 1 162 . 1 1 15 15 SER CB C 13 63.921 0.3 . 1 . . . . . 15 SER CB . 27693 1 163 . 1 1 15 15 SER N N 15 116.216 0.3 . 1 . . . . . 15 SER N . 27693 1 164 . 1 1 16 16 TRP H H 1 8.176 0.02 . 1 . . . . . 16 TRP HN . 27693 1 165 . 1 1 16 16 TRP HA H 1 4.764 0.02 . 1 . . . . . 16 TRP HA . 27693 1 166 . 1 1 16 16 TRP HB2 H 1 3.258 0.02 . 2 . . . . . 16 TRP HB1 . 27693 1 167 . 1 1 16 16 TRP HB3 H 1 3.258 0.02 . 2 . . . . . 16 TRP HB2 . 27693 1 168 . 1 1 16 16 TRP C C 13 176.326 0.3 . 1 . . . . . 16 TRP C . 27693 1 169 . 1 1 16 16 TRP CA C 13 57.521 0.3 . 1 . . . . . 16 TRP CA . 27693 1 170 . 1 1 16 16 TRP CB C 13 30.099 0.3 . 1 . . . . . 16 TRP CB . 27693 1 171 . 1 1 16 16 TRP N N 15 122.900 0.3 . 1 . . . . . 16 TRP N . 27693 1 172 . 1 1 17 17 THR H H 1 7.921 0.02 . 1 . . . . . 17 THR HN . 27693 1 173 . 1 1 17 17 THR HA H 1 4.322 0.02 . 1 . . . . . 17 THR HA . 27693 1 174 . 1 1 17 17 THR HB H 1 4.322 0.02 . 1 . . . . . 17 THR HB . 27693 1 175 . 1 1 17 17 THR HG21 H 1 1.434 0.02 . 1 . . . . . 17 THR HG21 . 27693 1 176 . 1 1 17 17 THR HG22 H 1 1.434 0.02 . 1 . . . . . 17 THR HG21 . 27693 1 177 . 1 1 17 17 THR HG23 H 1 1.434 0.02 . 1 . . . . . 17 THR HG21 . 27693 1 178 . 1 1 17 17 THR C C 13 174.919 0.3 . 1 . . . . . 17 THR C . 27693 1 179 . 1 1 17 17 THR CA C 13 61.683 0.3 . 1 . . . . . 17 THR CA . 27693 1 180 . 1 1 17 17 THR CB C 13 70.841 0.3 . 1 . . . . . 17 THR CB . 27693 1 181 . 1 1 17 17 THR CG2 C 13 21.504 0.3 . 1 . . . . . 17 THR CG2 . 27693 1 182 . 1 1 17 17 THR N N 15 114.662 0.3 . 1 . . . . . 17 THR N . 27693 1 183 . 1 1 18 18 CYS H H 1 8.596 0.02 . 1 . . . . . 18 CYS HN . 27693 1 184 . 1 1 18 18 CYS HA H 1 4.341 0.02 . 1 . . . . . 18 CYS HA . 27693 1 185 . 1 1 18 18 CYS HB2 H 1 2.772 0.02 . 2 . . . . . 18 CYS HB1 . 27693 1 186 . 1 1 18 18 CYS HB3 H 1 2.772 0.02 . 2 . . . . . 18 CYS HB2 . 27693 1 187 . 1 1 18 18 CYS C C 13 176.952 0.3 . 1 . . . . . 18 CYS C . 27693 1 188 . 1 1 18 18 CYS CA C 13 56.986 0.3 . 1 . . . . . 18 CYS CA . 27693 1 189 . 1 1 18 18 CYS N N 15 119.599 0.3 . 1 . . . . . 18 CYS N . 27693 1 190 . 1 1 19 19 GLU H H 1 8.072 0.02 . 1 . . . . . 19 GLU HN . 27693 1 191 . 1 1 19 19 GLU HA H 1 4.249 0.02 . 1 . . . . . 19 GLU HA . 27693 1 192 . 1 1 19 19 GLU HB2 H 1 1.734 0.02 . 2 . . . . . 19 GLU HB1 . 27693 1 193 . 1 1 19 19 GLU HB3 H 1 1.804 0.02 . 2 . . . . . 19 GLU HB2 . 27693 1 194 . 1 1 19 19 GLU HG2 H 1 2.042 0.02 . 2 . . . . . 19 GLU HG1 . 27693 1 195 . 1 1 19 19 GLU HG3 H 1 2.042 0.02 . 2 . . . . . 19 GLU HG2 . 27693 1 196 . 1 1 19 19 GLU C C 13 176.174 0.3 . 1 . . . . . 19 GLU C . 27693 1 197 . 1 1 19 19 GLU CA C 13 55.949 0.3 . 1 . . . . . 19 GLU CA . 27693 1 198 . 1 1 19 19 GLU N N 15 121.791 0.3 . 1 . . . . . 19 GLU N . 27693 1 199 . 1 1 20 20 ASP H H 1 8.288 0.02 . 1 . . . . . 20 ASP HN . 27693 1 200 . 1 1 20 20 ASP HB2 H 1 2.709 0.02 . 2 . . . . . 20 ASP HB1 . 27693 1 201 . 1 1 20 20 ASP HB3 H 1 2.709 0.02 . 2 . . . . . 20 ASP HB2 . 27693 1 202 . 1 1 20 20 ASP C C 13 175.571 0.3 . 1 . . . . . 20 ASP C . 27693 1 203 . 1 1 20 20 ASP CA C 13 53.148 0.3 . 1 . . . . . 20 ASP CA . 27693 1 204 . 1 1 20 20 ASP CB C 13 38.199 0.3 . 1 . . . . . 20 ASP CB . 27693 1 205 . 1 1 20 20 ASP N N 15 119.604 0.3 . 1 . . . . . 20 ASP N . 27693 1 206 . 1 1 21 21 PHE H H 1 7.885 0.02 . 1 . . . . . 21 PHE HN . 27693 1 207 . 1 1 21 21 PHE HA H 1 4.334 0.02 . 1 . . . . . 21 PHE HA . 27693 1 208 . 1 1 21 21 PHE HB2 H 1 3.006 0.02 . 2 . . . . . 21 PHE HB1 . 27693 1 209 . 1 1 21 21 PHE HB3 H 1 3.151 0.02 . 2 . . . . . 21 PHE HB2 . 27693 1 210 . 1 1 21 21 PHE C C 13 176.111 0.3 . 1 . . . . . 21 PHE C . 27693 1 211 . 1 1 21 21 PHE CA C 13 59.206 0.3 . 1 . . . . . 21 PHE CA . 27693 1 212 . 1 1 21 21 PHE N N 15 119.090 0.3 . 1 . . . . . 21 PHE N . 27693 1 213 . 1 1 22 22 LEU H H 1 8.031 0.02 . 1 . . . . . 22 LEU HN . 27693 1 214 . 1 1 22 22 LEU HA H 1 4.268 0.02 . 1 . . . . . 22 LEU HA . 27693 1 215 . 1 1 22 22 LEU HB2 H 1 2.043 0.02 . 2 . . . . . 22 LEU HB2 . 27693 1 216 . 1 1 22 22 LEU C C 13 177.413 0.3 . 1 . . . . . 22 LEU C . 27693 1 217 . 1 1 22 22 LEU CA C 13 55.925 0.3 . 1 . . . . . 22 LEU CA . 27693 1 218 . 1 1 22 22 LEU N N 15 120.845 0.3 . 1 . . . . . 22 LEU N . 27693 1 219 . 1 1 23 23 ALA H H 1 8.196 0.02 . 1 . . . . . 23 ALA HN . 27693 1 220 . 1 1 23 23 ALA HA H 1 4.263 0.02 . 1 . . . . . 23 ALA HA . 27693 1 221 . 1 1 23 23 ALA HB1 H 1 1.407 0.02 . 1 . . . . . 23 ALA HB1 . 27693 1 222 . 1 1 23 23 ALA HB2 H 1 1.407 0.02 . 1 . . . . . 23 ALA HB1 . 27693 1 223 . 1 1 23 23 ALA HB3 H 1 1.407 0.02 . 1 . . . . . 23 ALA HB1 . 27693 1 224 . 1 1 23 23 ALA C C 13 176.675 0.3 . 1 . . . . . 23 ALA C . 27693 1 225 . 1 1 23 23 ALA CA C 13 53.108 0.3 . 1 . . . . . 23 ALA CA . 27693 1 226 . 1 1 23 23 ALA CB C 13 19.066 0.3 . 1 . . . . . 23 ALA CB . 27693 1 227 . 1 1 23 23 ALA N N 15 122.280 0.3 . 1 . . . . . 23 ALA N . 27693 1 228 . 1 1 24 24 VAL H H 1 7.753 0.02 . 1 . . . . . 24 VAL HN . 27693 1 229 . 1 1 24 24 VAL HA H 1 4.237 0.02 . 1 . . . . . 24 VAL HA . 27693 1 230 . 1 1 24 24 VAL HB H 1 2.136 0.02 . 1 . . . . . 24 VAL HB . 27693 1 231 . 1 1 24 24 VAL HG11 H 1 0.955 0.02 . 2 . . . . . 24 VAL HG11 . 27693 1 232 . 1 1 24 24 VAL HG12 H 1 0.955 0.02 . 2 . . . . . 24 VAL HG11 . 27693 1 233 . 1 1 24 24 VAL HG13 H 1 0.955 0.02 . 2 . . . . . 24 VAL HG11 . 27693 1 234 . 1 1 24 24 VAL HG21 H 1 0.955 0.02 . 2 . . . . . 24 VAL HG21 . 27693 1 235 . 1 1 24 24 VAL HG22 H 1 0.955 0.02 . 2 . . . . . 24 VAL HG21 . 27693 1 236 . 1 1 24 24 VAL HG23 H 1 0.955 0.02 . 2 . . . . . 24 VAL HG21 . 27693 1 237 . 1 1 24 24 VAL C C 13 176.328 0.3 . 1 . . . . . 24 VAL C . 27693 1 238 . 1 1 24 24 VAL CA C 13 62.939 0.3 . 1 . . . . . 24 VAL CA . 27693 1 239 . 1 1 24 24 VAL CB C 13 32.683 0.3 . 1 . . . . . 24 VAL CB . 27693 1 240 . 1 1 24 24 VAL CG1 C 13 20.568 0.3 . 1 . . . . . 24 VAL CG1 . 27693 1 241 . 1 1 24 24 VAL CG2 C 13 21.161 0.3 . 1 . . . . . 24 VAL CG2 . 27693 1 242 . 1 1 24 24 VAL N N 15 116.212 0.3 . 1 . . . . . 24 VAL N . 27693 1 243 . 1 1 25 25 ASP H H 1 8.305 0.02 . 1 . . . . . 25 ASP HN . 27693 1 244 . 1 1 25 25 ASP HA H 1 4.604 0.02 . 1 . . . . . 25 ASP HA . 27693 1 245 . 1 1 25 25 ASP HB2 H 1 2.746 0.02 . 2 . . . . . 25 ASP HB1 . 27693 1 246 . 1 1 25 25 ASP HB3 H 1 2.877 0.02 . 2 . . . . . 25 ASP HB2 . 27693 1 247 . 1 1 25 25 ASP C C 13 176.911 0.3 . 1 . . . . . 25 ASP C . 27693 1 248 . 1 1 25 25 ASP CA C 13 53.502 0.3 . 1 . . . . . 25 ASP CA . 27693 1 249 . 1 1 25 25 ASP CB C 13 37.905 0.3 . 1 . . . . . 25 ASP CB . 27693 1 250 . 1 1 25 25 ASP N N 15 120.649 0.3 . 1 . . . . . 25 ASP N . 27693 1 251 . 1 1 26 26 GLU H H 1 8.158 0.02 . 1 . . . . . 26 GLU HN . 27693 1 252 . 1 1 26 26 GLU HA H 1 4.327 0.02 . 1 . . . . . 26 GLU HA . 27693 1 253 . 1 1 26 26 GLU HB2 H 1 1.938 0.02 . 2 . . . . . 26 GLU HB1 . 27693 1 254 . 1 1 26 26 GLU HB3 H 1 2.036 0.02 . 2 . . . . . 26 GLU HB2 . 27693 1 255 . 1 1 26 26 GLU HG2 H 1 2.428 0.02 . 2 . . . . . 26 GLU HG1 . 27693 1 256 . 1 1 26 26 GLU HG3 H 1 2.428 0.02 . 2 . . . . . 26 GLU HG2 . 27693 1 257 . 1 1 26 26 GLU C C 13 176.089 0.3 . 1 . . . . . 26 GLU C . 27693 1 258 . 1 1 26 26 GLU CA C 13 53.267 0.3 . 1 . . . . . 26 GLU CA . 27693 1 259 . 1 1 26 26 GLU CB C 13 28.655 0.3 . 1 . . . . . 26 GLU CB . 27693 1 260 . 1 1 26 26 GLU CG C 13 32.754 0.3 . 1 . . . . . 26 GLU CG . 27693 1 261 . 1 1 26 26 GLU N N 15 119.486 0.3 . 1 . . . . . 26 GLU N . 27693 1 262 . 1 1 27 27 SER H H 1 8.084 0.02 . 1 . . . . . 27 SER HN . 27693 1 263 . 1 1 27 27 SER HA H 1 4.454 0.02 . 1 . . . . . 27 SER HA . 27693 1 264 . 1 1 27 27 SER HB2 H 1 3.880 0.02 . 2 . . . . . 27 SER HB1 . 27693 1 265 . 1 1 27 27 SER HB3 H 1 3.880 0.02 . 2 . . . . . 27 SER HB2 . 27693 1 266 . 1 1 27 27 SER C C 13 173.958 0.3 . 1 . . . . . 27 SER C . 27693 1 267 . 1 1 27 27 SER CA C 13 58.691 0.3 . 1 . . . . . 27 SER CA . 27693 1 268 . 1 1 27 27 SER CB C 13 63.776 0.3 . 1 . . . . . 27 SER CB . 27693 1 269 . 1 1 27 27 SER N N 15 115.174 0.3 . 1 . . . . . 27 SER N . 27693 1 270 . 1 1 28 28 TRP H H 1 7.955 0.02 . 1 . . . . . 28 TRP HN . 27693 1 271 . 1 1 28 28 TRP HA H 1 4.666 0.02 . 1 . . . . . 28 TRP HA . 27693 1 272 . 1 1 28 28 TRP HB2 H 1 3.247 0.02 . 2 . . . . . 28 TRP HB1 . 27693 1 273 . 1 1 28 28 TRP HB3 H 1 3.247 0.02 . 2 . . . . . 28 TRP HB2 . 27693 1 274 . 1 1 28 28 TRP C C 13 175.508 0.3 . 1 . . . . . 28 TRP C . 27693 1 275 . 1 1 28 28 TRP CA C 13 57.446 0.3 . 1 . . . . . 28 TRP CA . 27693 1 276 . 1 1 28 28 TRP CB C 13 29.671 0.3 . 1 . . . . . 28 TRP CB . 27693 1 277 . 1 1 28 28 TRP N N 15 122.477 0.3 . 1 . . . . . 28 TRP N . 27693 1 278 . 1 1 29 29 GLN H H 1 7.871 0.02 . 1 . . . . . 29 GLN HN . 27693 1 279 . 1 1 29 29 GLN HA H 1 4.503 0.02 . 1 . . . . . 29 GLN HA . 27693 1 280 . 1 1 29 29 GLN HB2 H 1 1.770 0.02 . 2 . . . . . 29 GLN HB1 . 27693 1 281 . 1 1 29 29 GLN HB3 H 1 1.966 0.02 . 2 . . . . . 29 GLN HB2 . 27693 1 282 . 1 1 29 29 GLN HG3 H 1 2.200 0.02 . 2 . . . . . 29 GLN HG2 . 27693 1 283 . 1 1 29 29 GLN C C 13 173.418 0.3 . 1 . . . . . 29 GLN C . 27693 1 284 . 1 1 29 29 GLN CA C 13 53.368 0.3 . 1 . . . . . 29 GLN CA . 27693 1 285 . 1 1 29 29 GLN CB C 13 29.479 0.3 . 1 . . . . . 29 GLN CB . 27693 1 286 . 1 1 29 29 GLN CG C 13 33.338 0.3 . 1 . . . . . 29 GLN CG . 27693 1 287 . 1 1 29 29 GLN N N 15 122.910 0.3 . 1 . . . . . 29 GLN N . 27693 1 288 . 1 1 30 30 PRO HA H 1 4.237 0.02 . 1 . . . . . 30 PRO HA . 27693 1 289 . 1 1 30 30 PRO HB2 H 1 1.911 0.02 . 2 . . . . . 30 PRO HB1 . 27693 1 290 . 1 1 30 30 PRO HB3 H 1 2.203 0.02 . 2 . . . . . 30 PRO HB2 . 27693 1 291 . 1 1 30 30 PRO HG2 H 1 1.987 0.02 . 2 . . . . . 30 PRO HG1 . 27693 1 292 . 1 1 30 30 PRO HG3 H 1 1.987 0.02 . 2 . . . . . 30 PRO HG2 . 27693 1 293 . 1 1 30 30 PRO C C 13 177.052 0.3 . 1 . . . . . 30 PRO C . 27693 1 294 . 1 1 30 30 PRO CA C 13 63.452 0.3 . 1 . . . . . 30 PRO CA . 27693 1 295 . 1 1 30 30 PRO CB C 13 31.986 0.3 . 1 . . . . . 30 PRO CB . 27693 1 296 . 1 1 30 30 PRO CG C 13 27.330 0.3 . 1 . . . . . 30 PRO CG . 27693 1 297 . 1 1 31 31 THR H H 1 7.957 0.02 . 1 . . . . . 31 THR HN . 27693 1 298 . 1 1 31 31 THR HA H 1 4.281 0.02 . 1 . . . . . 31 THR HA . 27693 1 299 . 1 1 31 31 THR HB H 1 4.281 0.02 . 1 . . . . . 31 THR HB . 27693 1 300 . 1 1 31 31 THR HG21 H 1 1.214 0.02 . 1 . . . . . 31 THR HG21 . 27693 1 301 . 1 1 31 31 THR HG22 H 1 1.214 0.02 . 1 . . . . . 31 THR HG21 . 27693 1 302 . 1 1 31 31 THR HG23 H 1 1.214 0.02 . 1 . . . . . 31 THR HG21 . 27693 1 303 . 1 1 31 31 THR C C 13 174.341 0.3 . 1 . . . . . 31 THR C . 27693 1 304 . 1 1 31 31 THR CA C 13 61.729 0.3 . 1 . . . . . 31 THR CA . 27693 1 305 . 1 1 31 31 THR CB C 13 69.916 0.3 . 1 . . . . . 31 THR CB . 27693 1 306 . 1 1 31 31 THR CG2 C 13 21.768 0.3 . 1 . . . . . 31 THR CG2 . 27693 1 307 . 1 1 31 31 THR N N 15 112.700 0.3 . 1 . . . . . 31 THR N . 27693 1 308 . 1 1 32 32 ALA H H 1 8.245 0.02 . 1 . . . . . 32 ALA HN . 27693 1 309 . 1 1 32 32 ALA HA H 1 4.368 0.02 . 1 . . . . . 32 ALA HA . 27693 1 310 . 1 1 32 32 ALA HB1 H 1 1.413 0.02 . 1 . . . . . 32 ALA HB1 . 27693 1 311 . 1 1 32 32 ALA HB2 H 1 1.413 0.02 . 1 . . . . . 32 ALA HB1 . 27693 1 312 . 1 1 32 32 ALA HB3 H 1 1.413 0.02 . 1 . . . . . 32 ALA HB1 . 27693 1 313 . 1 1 32 32 ALA C C 13 177.967 0.3 . 1 . . . . . 32 ALA C . 27693 1 314 . 1 1 32 32 ALA CA C 13 52.896 0.3 . 1 . . . . . 32 ALA CA . 27693 1 315 . 1 1 32 32 ALA CB C 13 19.361 0.3 . 1 . . . . . 32 ALA CB . 27693 1 316 . 1 1 32 32 ALA N N 15 125.843 0.3 . 1 . . . . . 32 ALA N . 27693 1 317 . 1 1 33 33 VAL H H 1 8.043 0.02 . 1 . . . . . 33 VAL HN . 27693 1 318 . 1 1 33 33 VAL HA H 1 4.083 0.02 . 1 . . . . . 33 VAL HA . 27693 1 319 . 1 1 33 33 VAL HB H 1 2.071 0.02 . 1 . . . . . 33 VAL HB . 27693 1 320 . 1 1 33 33 VAL HG11 H 1 0.943 0.02 . 2 . . . . . 33 VAL HG11 . 27693 1 321 . 1 1 33 33 VAL HG12 H 1 0.943 0.02 . 2 . . . . . 33 VAL HG11 . 27693 1 322 . 1 1 33 33 VAL HG13 H 1 0.943 0.02 . 2 . . . . . 33 VAL HG11 . 27693 1 323 . 1 1 33 33 VAL HG21 H 1 0.943 0.02 . 2 . . . . . 33 VAL HG21 . 27693 1 324 . 1 1 33 33 VAL HG22 H 1 0.943 0.02 . 2 . . . . . 33 VAL HG21 . 27693 1 325 . 1 1 33 33 VAL HG23 H 1 0.943 0.02 . 2 . . . . . 33 VAL HG21 . 27693 1 326 . 1 1 33 33 VAL C C 13 176.800 0.3 . 1 . . . . . 33 VAL C . 27693 1 327 . 1 1 33 33 VAL CA C 13 63.014 0.3 . 1 . . . . . 33 VAL CA . 27693 1 328 . 1 1 33 33 VAL CB C 13 32.583 0.3 . 1 . . . . . 33 VAL CB . 27693 1 329 . 1 1 33 33 VAL CG1 C 13 21.007 0.3 . 1 . . . . . 33 VAL CG1 . 27693 1 330 . 1 1 33 33 VAL CG2 C 13 21.007 0.3 . 1 . . . . . 33 VAL CG2 . 27693 1 331 . 1 1 33 33 VAL N N 15 118.605 0.3 . 1 . . . . . 33 VAL N . 27693 1 332 . 1 1 34 34 GLY H H 1 8.313 0.02 . 1 . . . . . 34 GLY HN . 27693 1 333 . 1 1 34 34 GLY HA2 H 1 3.895 0.02 . 2 . . . . . 34 GLY HA1 . 27693 1 334 . 1 1 34 34 GLY HA3 H 1 3.946 0.02 . 2 . . . . . 34 GLY HA2 . 27693 1 335 . 1 1 34 34 GLY C C 13 174.364 0.3 . 1 . . . . . 34 GLY C . 27693 1 336 . 1 1 34 34 GLY CA C 13 45.502 0.3 . 1 . . . . . 34 GLY CA . 27693 1 337 . 1 1 34 34 GLY N N 15 111.463 0.3 . 1 . . . . . 34 GLY N . 27693 1 338 . 1 1 35 35 PHE H H 1 8.075 0.02 . 1 . . . . . 35 PHE HN . 27693 1 339 . 1 1 35 35 PHE HA H 1 4.561 0.02 . 1 . . . . . 35 PHE HA . 27693 1 340 . 1 1 35 35 PHE HB2 H 1 3.066 0.02 . 2 . . . . . 35 PHE HB1 . 27693 1 341 . 1 1 35 35 PHE HB3 H 1 3.146 0.02 . 2 . . . . . 35 PHE HB2 . 27693 1 342 . 1 1 35 35 PHE C C 13 175.981 0.3 . 1 . . . . . 35 PHE C . 27693 1 343 . 1 1 35 35 PHE CA C 13 58.606 0.3 . 1 . . . . . 35 PHE CA . 27693 1 344 . 1 1 35 35 PHE CB C 13 39.675 0.3 . 1 . . . . . 35 PHE CB . 27693 1 345 . 1 1 35 35 PHE N N 15 120.508 0.3 . 1 . . . . . 35 PHE N . 27693 1 346 . 1 1 36 36 ALA H H 1 8.230 0.02 . 1 . . . . . 36 ALA HN . 27693 1 347 . 1 1 36 36 ALA HA H 1 4.241 0.02 . 1 . . . . . 36 ALA HA . 27693 1 348 . 1 1 36 36 ALA HB1 H 1 1.381 0.02 . 1 . . . . . 36 ALA HB1 . 27693 1 349 . 1 1 36 36 ALA HB2 H 1 1.381 0.02 . 1 . . . . . 36 ALA HB1 . 27693 1 350 . 1 1 36 36 ALA HB3 H 1 1.381 0.02 . 1 . . . . . 36 ALA HB1 . 27693 1 351 . 1 1 36 36 ALA C C 13 177.964 0.3 . 1 . . . . . 36 ALA C . 27693 1 352 . 1 1 36 36 ALA CA C 13 53.108 0.3 . 1 . . . . . 36 ALA CA . 27693 1 353 . 1 1 36 36 ALA CB C 13 19.082 0.3 . 1 . . . . . 36 ALA CB . 27693 1 354 . 1 1 36 36 ALA N N 15 124.220 0.3 . 1 . . . . . 36 ALA N . 27693 1 355 . 1 1 37 37 GLU H H 1 8.102 0.02 . 1 . . . . . 37 GLU HN . 27693 1 356 . 1 1 37 37 GLU HA H 1 4.276 0.02 . 1 . . . . . 37 GLU HA . 27693 1 357 . 1 1 37 37 GLU HB2 H 1 2.008 0.02 . 2 . . . . . 37 GLU HB1 . 27693 1 358 . 1 1 37 37 GLU HB3 H 1 2.103 0.02 . 2 . . . . . 37 GLU HB2 . 27693 1 359 . 1 1 37 37 GLU HG2 H 1 2.501 0.02 . 2 . . . . . 37 GLU HG1 . 27693 1 360 . 1 1 37 37 GLU HG3 H 1 2.501 0.02 . 2 . . . . . 37 GLU HG2 . 27693 1 361 . 1 1 37 37 GLU C C 13 176.209 0.3 . 1 . . . . . 37 GLU C . 27693 1 362 . 1 1 37 37 GLU CA C 13 56.404 0.3 . 1 . . . . . 37 GLU CA . 27693 1 363 . 1 1 37 37 GLU CB C 13 28.614 0.3 . 1 . . . . . 37 GLU CB . 27693 1 364 . 1 1 37 37 GLU CG C 13 32.922 0.3 . 1 . . . . . 37 GLU CG . 27693 1 365 . 1 1 37 37 GLU N N 15 118.536 0.3 . 1 . . . . . 37 GLU N . 27693 1 366 . 1 1 38 38 ALA H H 1 8.135 0.02 . 1 . . . . . 38 ALA HN . 27693 1 367 . 1 1 38 38 ALA HA H 1 4.293 0.02 . 1 . . . . . 38 ALA HA . 27693 1 368 . 1 1 38 38 ALA HB1 H 1 1.406 0.02 . 1 . . . . . 38 ALA HB1 . 27693 1 369 . 1 1 38 38 ALA HB2 H 1 1.406 0.02 . 1 . . . . . 38 ALA HB1 . 27693 1 370 . 1 1 38 38 ALA HB3 H 1 1.406 0.02 . 1 . . . . . 38 ALA HB1 . 27693 1 371 . 1 1 38 38 ALA C C 13 177.974 0.3 . 1 . . . . . 38 ALA C . 27693 1 372 . 1 1 38 38 ALA CA C 13 52.955 0.3 . 1 . . . . . 38 ALA CA . 27693 1 373 . 1 1 38 38 ALA CB C 13 19.278 0.3 . 1 . . . . . 38 ALA CB . 27693 1 374 . 1 1 38 38 ALA N N 15 123.964 0.3 . 1 . . . . . 38 ALA N . 27693 1 375 . 1 1 39 39 LEU H H 1 8.063 0.02 . 1 . . . . . 39 LEU HN . 27693 1 376 . 1 1 39 39 LEU HA H 1 4.282 0.02 . 1 . . . . . 39 LEU HA . 27693 1 377 . 1 1 39 39 LEU HB2 H 1 1.577 0.02 . 2 . . . . . 39 LEU HB1 . 27693 1 378 . 1 1 39 39 LEU HB3 H 1 1.659 0.02 . 2 . . . . . 39 LEU HB2 . 27693 1 379 . 1 1 39 39 LEU HG H 1 1.646 0.02 . 1 . . . . . 39 LEU HG . 27693 1 380 . 1 1 39 39 LEU HD11 H 1 0.877 0.02 . 2 . . . . . 39 LEU HD11 . 27693 1 381 . 1 1 39 39 LEU HD12 H 1 0.877 0.02 . 2 . . . . . 39 LEU HD11 . 27693 1 382 . 1 1 39 39 LEU HD13 H 1 0.877 0.02 . 2 . . . . . 39 LEU HD11 . 27693 1 383 . 1 1 39 39 LEU C C 13 177.495 0.3 . 1 . . . . . 39 LEU C . 27693 1 384 . 1 1 39 39 LEU CA C 13 55.687 0.3 . 1 . . . . . 39 LEU CA . 27693 1 385 . 1 1 39 39 LEU CB C 13 42.336 0.3 . 1 . . . . . 39 LEU CB . 27693 1 386 . 1 1 39 39 LEU CG C 13 27.037 0.3 . 1 . . . . . 39 LEU CG . 27693 1 387 . 1 1 39 39 LEU CD1 C 13 24.902 0.3 . 1 . . . . . 39 LEU CD1 . 27693 1 388 . 1 1 39 39 LEU CD2 C 13 23.589 0.3 . 1 . . . . . 39 LEU CD2 . 27693 1 389 . 1 1 39 39 LEU N N 15 120.251 0.3 . 1 . . . . . 39 LEU N . 27693 1 390 . 1 1 40 40 ASN H H 1 8.224 0.02 . 1 . . . . . 40 ASN HN . 27693 1 391 . 1 1 40 40 ASN HA H 1 4.687 0.02 . 1 . . . . . 40 ASN HA . 27693 1 392 . 1 1 40 40 ASN HB2 H 1 2.821 0.02 . 2 . . . . . 40 ASN HB1 . 27693 1 393 . 1 1 40 40 ASN HB3 H 1 2.885 0.02 . 2 . . . . . 40 ASN HB2 . 27693 1 394 . 1 1 40 40 ASN C C 13 175.271 0.3 . 1 . . . . . 40 ASN C . 27693 1 395 . 1 1 40 40 ASN CA C 13 53.428 0.3 . 1 . . . . . 40 ASN CA . 27693 1 396 . 1 1 40 40 ASN CB C 13 38.786 0.3 . 1 . . . . . 40 ASN CB . 27693 1 397 . 1 1 40 40 ASN N N 15 118.145 0.3 . 1 . . . . . 40 ASN N . 27693 1 398 . 1 1 41 41 ASN H H 1 8.259 0.02 . 1 . . . . . 41 ASN HN . 27693 1 399 . 1 1 41 41 ASN HA H 1 4.674 0.02 . 1 . . . . . 41 ASN HA . 27693 1 400 . 1 1 41 41 ASN HB2 H 1 2.854 0.02 . 2 . . . . . 41 ASN HB1 . 27693 1 401 . 1 1 41 41 ASN HB3 H 1 2.854 0.02 . 2 . . . . . 41 ASN HB2 . 27693 1 402 . 1 1 41 41 ASN C C 13 175.622 0.3 . 1 . . . . . 41 ASN C . 27693 1 403 . 1 1 41 41 ASN CA C 13 53.780 0.3 . 1 . . . . . 41 ASN CA . 27693 1 404 . 1 1 41 41 ASN CB C 13 38.775 0.3 . 1 . . . . . 41 ASN CB . 27693 1 405 . 1 1 41 41 ASN N N 15 118.836 0.3 . 1 . . . . . 41 ASN N . 27693 1 406 . 1 1 42 42 LYS H H 1 8.245 0.02 . 1 . . . . . 42 LYS HN . 27693 1 407 . 1 1 42 42 LYS HA H 1 4.279 0.02 . 1 . . . . . 42 LYS HA . 27693 1 408 . 1 1 42 42 LYS HB2 H 1 1.818 0.02 . 2 . . . . . 42 LYS HB1 . 27693 1 409 . 1 1 42 42 LYS HB3 H 1 1.898 0.02 . 2 . . . . . 42 LYS HB2 . 27693 1 410 . 1 1 42 42 LYS HG2 H 1 1.320 0.02 . 2 . . . . . 42 LYS HG1 . 27693 1 411 . 1 1 42 42 LYS HG3 H 1 1.466 0.02 . 2 . . . . . 42 LYS HG2 . 27693 1 412 . 1 1 42 42 LYS HD2 H 1 1.697 0.02 . 2 . . . . . 42 LYS HD1 . 27693 1 413 . 1 1 42 42 LYS HD3 H 1 1.697 0.02 . 2 . . . . . 42 LYS HD2 . 27693 1 414 . 1 1 42 42 LYS HE2 H 1 3.029 0.02 . 2 . . . . . 42 LYS HE1 . 27693 1 415 . 1 1 42 42 LYS HE3 H 1 3.029 0.02 . 2 . . . . . 42 LYS HE2 . 27693 1 416 . 1 1 42 42 LYS C C 13 176.497 0.3 . 1 . . . . . 42 LYS C . 27693 1 417 . 1 1 42 42 LYS CA C 13 56.972 0.3 . 1 . . . . . 42 LYS CA . 27693 1 418 . 1 1 42 42 LYS CB C 13 32.480 0.3 . 1 . . . . . 42 LYS CB . 27693 1 419 . 1 1 42 42 LYS CG C 13 24.798 0.3 . 1 . . . . . 42 LYS CG . 27693 1 420 . 1 1 42 42 LYS CD C 13 29.026 0.3 . 1 . . . . . 42 LYS CD . 27693 1 421 . 1 1 42 42 LYS CE C 13 42.364 0.3 . 1 . . . . . 42 LYS CE . 27693 1 422 . 1 1 42 42 LYS N N 15 120.475 0.3 . 1 . . . . . 42 LYS N . 27693 1 423 . 1 1 43 43 ASP H H 1 8.307 0.02 . 1 . . . . . 43 ASP HN . 27693 1 424 . 1 1 43 43 ASP HA H 1 4.713 0.02 . 1 . . . . . 43 ASP HA . 27693 1 425 . 1 1 43 43 ASP HB2 H 1 2.881 0.02 . 2 . . . . . 43 ASP HB1 . 27693 1 426 . 1 1 43 43 ASP HB3 H 1 2.987 0.02 . 2 . . . . . 43 ASP HB2 . 27693 1 427 . 1 1 43 43 ASP C C 13 174.540 0.3 . 1 . . . . . 43 ASP C . 27693 1 428 . 1 1 43 43 ASP CA C 13 53.055 0.3 . 1 . . . . . 43 ASP CA . 27693 1 429 . 1 1 43 43 ASP CB C 13 38.018 0.3 . 1 . . . . . 43 ASP CB . 27693 1 430 . 1 1 43 43 ASP N N 15 118.077 0.3 . 1 . . . . . 43 ASP N . 27693 1 431 . 1 1 44 44 LYS H H 1 8.009 0.02 . 1 . . . . . 44 LYS HN . 27693 1 432 . 1 1 44 44 LYS HA H 1 4.601 0.02 . 1 . . . . . 44 LYS HA . 27693 1 433 . 1 1 44 44 LYS HB2 H 1 1.747 0.02 . 2 . . . . . 44 LYS HB1 . 27693 1 434 . 1 1 44 44 LYS HB3 H 1 1.829 0.02 . 2 . . . . . 44 LYS HB2 . 27693 1 435 . 1 1 44 44 LYS HG2 H 1 1.465 0.02 . 2 . . . . . 44 LYS HG1 . 27693 1 436 . 1 1 44 44 LYS HG3 H 1 1.465 0.02 . 2 . . . . . 44 LYS HG2 . 27693 1 437 . 1 1 44 44 LYS HD2 H 1 1.700 0.02 . 2 . . . . . 44 LYS HD1 . 27693 1 438 . 1 1 44 44 LYS HD3 H 1 1.700 0.02 . 2 . . . . . 44 LYS HD2 . 27693 1 439 . 1 1 44 44 LYS HE2 H 1 3.018 0.02 . 2 . . . . . 44 LYS HE1 . 27693 1 440 . 1 1 44 44 LYS HE3 H 1 3.018 0.02 . 2 . . . . . 44 LYS HE2 . 27693 1 441 . 1 1 44 44 LYS C C 13 174.448 0.3 . 1 . . . . . 44 LYS C . 27693 1 442 . 1 1 44 44 LYS CA C 13 54.480 0.3 . 1 . . . . . 44 LYS CA . 27693 1 443 . 1 1 44 44 LYS CB C 13 32.567 0.3 . 1 . . . . . 44 LYS CB . 27693 1 444 . 1 1 44 44 LYS CG C 13 24.660 0.3 . 1 . . . . . 44 LYS CG . 27693 1 445 . 1 1 44 44 LYS CD C 13 29.208 0.3 . 1 . . . . . 44 LYS CD . 27693 1 446 . 1 1 44 44 LYS CE C 13 42.253 0.3 . 1 . . . . . 44 LYS CE . 27693 1 447 . 1 1 44 44 LYS N N 15 121.745 0.3 . 1 . . . . . 44 LYS N . 27693 1 448 . 1 1 45 45 PRO HA H 1 4.425 0.02 . 1 . . . . . 45 PRO HA . 27693 1 449 . 1 1 45 45 PRO HB2 H 1 1.923 0.02 . 2 . . . . . 45 PRO HB1 . 27693 1 450 . 1 1 45 45 PRO HB3 H 1 2.295 0.02 . 2 . . . . . 45 PRO HB2 . 27693 1 451 . 1 1 45 45 PRO HG2 H 1 2.021 0.02 . 2 . . . . . 45 PRO HG1 . 27693 1 452 . 1 1 45 45 PRO HG3 H 1 2.021 0.02 . 2 . . . . . 45 PRO HG2 . 27693 1 453 . 1 1 45 45 PRO HD2 H 1 3.646 0.02 . 2 . . . . . 45 PRO HD1 . 27693 1 454 . 1 1 45 45 PRO HD3 H 1 3.856 0.02 . 2 . . . . . 45 PRO HD2 . 27693 1 455 . 1 1 45 45 PRO C C 13 177.260 0.3 . 1 . . . . . 45 PRO C . 27693 1 456 . 1 1 45 45 PRO CA C 13 63.562 0.3 . 1 . . . . . 45 PRO CA . 27693 1 457 . 1 1 45 45 PRO CB C 13 32.020 0.3 . 1 . . . . . 45 PRO CB . 27693 1 458 . 1 1 45 45 PRO CG C 13 27.551 0.3 . 1 . . . . . 45 PRO CG . 27693 1 459 . 1 1 45 45 PRO CD C 13 50.717 0.3 . 1 . . . . . 45 PRO CD . 27693 1 460 . 1 1 46 46 GLU H H 1 8.443 0.02 . 1 . . . . . 46 GLU HN . 27693 1 461 . 1 1 46 46 GLU HA H 1 4.324 0.02 . 1 . . . . . 46 GLU HA . 27693 1 462 . 1 1 46 46 GLU HB2 H 1 2.026 0.02 . 2 . . . . . 46 GLU HB1 . 27693 1 463 . 1 1 46 46 GLU HB3 H 1 2.116 0.02 . 2 . . . . . 46 GLU HB2 . 27693 1 464 . 1 1 46 46 GLU HG2 H 1 2.510 0.02 . 2 . . . . . 46 GLU HG1 . 27693 1 465 . 1 1 46 46 GLU HG3 H 1 2.510 0.02 . 2 . . . . . 46 GLU HG2 . 27693 1 466 . 1 1 46 46 GLU C C 13 176.090 0.3 . 1 . . . . . 46 GLU C . 27693 1 467 . 1 1 46 46 GLU CA C 13 56.391 0.3 . 1 . . . . . 46 GLU CA . 27693 1 468 . 1 1 46 46 GLU CB C 13 28.523 0.3 . 1 . . . . . 46 GLU CB . 27693 1 469 . 1 1 46 46 GLU CG C 13 32.692 0.3 . 1 . . . . . 46 GLU CG . 27693 1 470 . 1 1 46 46 GLU N N 15 119.781 0.3 . 1 . . . . . 46 GLU N . 27693 1 471 . 1 1 47 47 ASP H H 1 8.383 0.02 . 1 . . . . . 47 ASP HN . 27693 1 472 . 1 1 47 47 ASP HA H 1 4.700 0.02 . 1 . . . . . 47 ASP HA . 27693 1 473 . 1 1 47 47 ASP HB2 H 1 2.887 0.02 . 2 . . . . . 47 ASP HB1 . 27693 1 474 . 1 1 47 47 ASP HB3 H 1 2.960 0.02 . 2 . . . . . 47 ASP HB2 . 27693 1 475 . 1 1 47 47 ASP C C 13 174.747 0.3 . 1 . . . . . 47 ASP C . 27693 1 476 . 1 1 47 47 ASP CA C 13 53.100 0.3 . 1 . . . . . 47 ASP CA . 27693 1 477 . 1 1 47 47 ASP CB C 13 38.073 0.3 . 1 . . . . . 47 ASP CB . 27693 1 478 . 1 1 47 47 ASP N N 15 118.917 0.3 . 1 . . . . . 47 ASP N . 27693 1 479 . 1 1 48 48 ALA H H 1 8.176 0.02 . 1 . . . . . 48 ALA HN . 27693 1 480 . 1 1 48 48 ALA HA H 1 4.344 0.02 . 1 . . . . . 48 ALA HA . 27693 1 481 . 1 1 48 48 ALA HB1 H 1 1.395 0.02 . 1 . . . . . 48 ALA HB1 . 27693 1 482 . 1 1 48 48 ALA HB2 H 1 1.395 0.02 . 1 . . . . . 48 ALA HB1 . 27693 1 483 . 1 1 48 48 ALA HB3 H 1 1.395 0.02 . 1 . . . . . 48 ALA HB1 . 27693 1 484 . 1 1 48 48 ALA C C 13 176.686 0.3 . 1 . . . . . 48 ALA C . 27693 1 485 . 1 1 48 48 ALA CA C 13 52.887 0.3 . 1 . . . . . 48 ALA CA . 27693 1 486 . 1 1 48 48 ALA CB C 13 19.383 0.3 . 1 . . . . . 48 ALA CB . 27693 1 487 . 1 1 48 48 ALA N N 15 124.145 0.3 . 1 . . . . . 48 ALA N . 27693 1 488 . 1 1 49 49 VAL H H 1 7.947 0.02 . 1 . . . . . 49 VAL HN . 27693 1 489 . 1 1 49 49 VAL HA H 1 4.103 0.02 . 1 . . . . . 49 VAL HA . 27693 1 490 . 1 1 49 49 VAL HB H 1 2.095 0.02 . 1 . . . . . 49 VAL HB . 27693 1 491 . 1 1 49 49 VAL HG11 H 1 0.937 0.02 . 2 . . . . . 49 VAL HG11 . 27693 1 492 . 1 1 49 49 VAL HG12 H 1 0.937 0.02 . 2 . . . . . 49 VAL HG11 . 27693 1 493 . 1 1 49 49 VAL HG13 H 1 0.937 0.02 . 2 . . . . . 49 VAL HG11 . 27693 1 494 . 1 1 49 49 VAL HG21 H 1 0.937 0.02 . 2 . . . . . 49 VAL HG21 . 27693 1 495 . 1 1 49 49 VAL HG22 H 1 0.937 0.02 . 2 . . . . . 49 VAL HG21 . 27693 1 496 . 1 1 49 49 VAL HG23 H 1 0.937 0.02 . 2 . . . . . 49 VAL HG21 . 27693 1 497 . 1 1 49 49 VAL C C 13 176.034 0.3 . 1 . . . . . 49 VAL C . 27693 1 498 . 1 1 49 49 VAL CA C 13 62.592 0.3 . 1 . . . . . 49 VAL CA . 27693 1 499 . 1 1 49 49 VAL CB C 13 32.629 0.3 . 1 . . . . . 49 VAL CB . 27693 1 500 . 1 1 49 49 VAL CG1 C 13 20.811 0.3 . 1 . . . . . 49 VAL CG1 . 27693 1 501 . 1 1 49 49 VAL CG2 C 13 21.249 0.3 . 1 . . . . . 49 VAL CG2 . 27693 1 502 . 1 1 49 49 VAL N N 15 118.372 0.3 . 1 . . . . . 49 VAL N . 27693 1 503 . 1 1 50 50 LEU H H 1 8.144 0.02 . 1 . . . . . 50 LEU HN . 27693 1 504 . 1 1 50 50 LEU HA H 1 4.374 0.02 . 1 . . . . . 50 LEU HA . 27693 1 505 . 1 1 50 50 LEU HB2 H 1 1.552 0.02 . 2 . . . . . 50 LEU HB1 . 27693 1 506 . 1 1 50 50 LEU HB3 H 1 1.621 0.02 . 2 . . . . . 50 LEU HB2 . 27693 1 507 . 1 1 50 50 LEU HG H 1 1.605 0.02 . 1 . . . . . 50 LEU HG . 27693 1 508 . 1 1 50 50 LEU HD11 H 1 0.864 0.02 . 2 . . . . . 50 LEU HD11 . 27693 1 509 . 1 1 50 50 LEU HD12 H 1 0.864 0.02 . 2 . . . . . 50 LEU HD11 . 27693 1 510 . 1 1 50 50 LEU HD13 H 1 0.864 0.02 . 2 . . . . . 50 LEU HD11 . 27693 1 511 . 1 1 50 50 LEU HD21 H 1 0.864 0.02 . 2 . . . . . 50 LEU HD21 . 27693 1 512 . 1 1 50 50 LEU HD22 H 1 0.864 0.02 . 2 . . . . . 50 LEU HD21 . 27693 1 513 . 1 1 50 50 LEU HD23 H 1 0.864 0.02 . 2 . . . . . 50 LEU HD21 . 27693 1 514 . 1 1 50 50 LEU C C 13 176.851 0.3 . 1 . . . . . 50 LEU C . 27693 1 515 . 1 1 50 50 LEU CA C 13 55.183 0.3 . 1 . . . . . 50 LEU CA . 27693 1 516 . 1 1 50 50 LEU CB C 13 42.677 0.3 . 1 . . . . . 50 LEU CB . 27693 1 517 . 1 1 50 50 LEU CG C 13 27.096 0.3 . 1 . . . . . 50 LEU CG . 27693 1 518 . 1 1 50 50 LEU CD1 C 13 24.684 0.3 . 1 . . . . . 50 LEU CD1 . 27693 1 519 . 1 1 50 50 LEU CD2 C 13 23.627 0.3 . 1 . . . . . 50 LEU CD2 . 27693 1 520 . 1 1 50 50 LEU N N 15 124.321 0.3 . 1 . . . . . 50 LEU N . 27693 1 521 . 1 1 51 51 ASP H H 1 8.389 0.02 . 1 . . . . . 51 ASP HN . 27693 1 522 . 1 1 51 51 ASP HA H 1 4.794 0.02 . 1 . . . . . 51 ASP HA . 27693 1 523 . 1 1 51 51 ASP HB2 H 1 2.867 0.02 . 2 . . . . . 51 ASP HB1 . 27693 1 524 . 1 1 51 51 ASP HB3 H 1 2.963 0.02 . 2 . . . . . 51 ASP HB2 . 27693 1 525 . 1 1 51 51 ASP C C 13 176.906 0.3 . 1 . . . . . 51 ASP C . 27693 1 526 . 1 1 51 51 ASP CA C 13 52.813 0.3 . 1 . . . . . 51 ASP CA . 27693 1 527 . 1 1 51 51 ASP CB C 13 37.964 0.3 . 1 . . . . . 51 ASP CB . 27693 1 528 . 1 1 51 51 ASP N N 15 119.803 0.3 . 1 . . . . . 51 ASP N . 27693 1 529 . 1 1 52 52 VAL H H 1 8.063 0.02 . 1 . . . . . 52 VAL HN . 27693 1 530 . 1 1 52 52 VAL HA H 1 4.138 0.02 . 1 . . . . . 52 VAL HA . 27693 1 531 . 1 1 52 52 VAL HB H 1 2.123 0.02 . 1 . . . . . 52 VAL HB . 27693 1 532 . 1 1 52 52 VAL HG11 H 1 0.928 0.02 . 2 . . . . . 52 VAL HG11 . 27693 1 533 . 1 1 52 52 VAL HG12 H 1 0.928 0.02 . 2 . . . . . 52 VAL HG11 . 27693 1 534 . 1 1 52 52 VAL HG13 H 1 0.928 0.02 . 2 . . . . . 52 VAL HG11 . 27693 1 535 . 1 1 52 52 VAL HG21 H 1 0.928 0.02 . 2 . . . . . 52 VAL HG21 . 27693 1 536 . 1 1 52 52 VAL HG22 H 1 0.928 0.02 . 2 . . . . . 52 VAL HG21 . 27693 1 537 . 1 1 52 52 VAL HG23 H 1 0.928 0.02 . 2 . . . . . 52 VAL HG21 . 27693 1 538 . 1 1 52 52 VAL C C 13 176.091 0.3 . 1 . . . . . 52 VAL C . 27693 1 539 . 1 1 52 52 VAL CA C 13 62.605 0.3 . 1 . . . . . 52 VAL CA . 27693 1 540 . 1 1 52 52 VAL CB C 13 32.652 0.3 . 1 . . . . . 52 VAL CB . 27693 1 541 . 1 1 52 52 VAL CG1 C 13 20.560 0.3 . 1 . . . . . 52 VAL CG1 . 27693 1 542 . 1 1 52 52 VAL CG2 C 13 21.343 0.3 . 1 . . . . . 52 VAL CG2 . 27693 1 543 . 1 1 52 52 VAL N N 15 120.251 0.3 . 1 . . . . . 52 VAL N . 27693 1 544 . 1 1 53 53 GLN H H 1 8.412 0.02 . 1 . . . . . 53 GLN HN . 27693 1 545 . 1 1 53 53 GLN HA H 1 4.315 0.02 . 1 . . . . . 53 GLN HA . 27693 1 546 . 1 1 53 53 GLN HB2 H 1 2.031 0.02 . 2 . . . . . 53 GLN HB1 . 27693 1 547 . 1 1 53 53 GLN HB3 H 1 2.136 0.02 . 2 . . . . . 53 GLN HB2 . 27693 1 548 . 1 1 53 53 GLN HG2 H 1 2.390 0.02 . 2 . . . . . 53 GLN HG1 . 27693 1 549 . 1 1 53 53 GLN HG3 H 1 2.390 0.02 . 2 . . . . . 53 GLN HG2 . 27693 1 550 . 1 1 53 53 GLN C C 13 176.372 0.3 . 1 . . . . . 53 GLN C . 27693 1 551 . 1 1 53 53 GLN CA C 13 56.403 0.3 . 1 . . . . . 53 GLN CA . 27693 1 552 . 1 1 53 53 GLN CB C 13 29.237 0.3 . 1 . . . . . 53 GLN CB . 27693 1 553 . 1 1 53 53 GLN CG C 13 33.971 0.3 . 1 . . . . . 53 GLN CG . 27693 1 554 . 1 1 53 53 GLN N N 15 122.897 0.3 . 1 . . . . . 53 GLN N . 27693 1 555 . 1 1 54 54 GLY H H 1 8.310 0.02 . 1 . . . . . 54 GLY HN . 27693 1 556 . 1 1 54 54 GLY HA2 H 1 3.942 0.02 . 2 . . . . . 54 GLY HA1 . 27693 1 557 . 1 1 54 54 GLY HA3 H 1 3.984 0.02 . 2 . . . . . 54 GLY HA2 . 27693 1 558 . 1 1 54 54 GLY C C 13 174.095 0.3 . 1 . . . . . 54 GLY C . 27693 1 559 . 1 1 54 54 GLY CA C 13 45.508 0.3 . 1 . . . . . 54 GLY CA . 27693 1 560 . 1 1 54 54 GLY N N 15 109.437 0.3 . 1 . . . . . 54 GLY N . 27693 1 561 . 1 1 55 55 ILE H H 1 7.898 0.02 . 1 . . . . . 55 ILE HN . 27693 1 562 . 1 1 55 55 ILE HA H 1 4.202 0.02 . 1 . . . . . 55 ILE HA . 27693 1 563 . 1 1 55 55 ILE HB H 1 1.874 0.02 . 1 . . . . . 55 ILE HB . 27693 1 564 . 1 1 55 55 ILE HG12 H 1 1.423 0.02 . 1 . . . . . 55 ILE HG11 . 27693 1 565 . 1 1 55 55 ILE HG13 H 1 1.423 0.02 . 1 . . . . . 55 ILE HG12 . 27693 1 566 . 1 1 55 55 ILE HG21 H 1 1.166 0.02 . 1 . . . . . 55 ILE HG21 . 27693 1 567 . 1 1 55 55 ILE HG22 H 1 1.166 0.02 . 1 . . . . . 55 ILE HG21 . 27693 1 568 . 1 1 55 55 ILE HG23 H 1 1.166 0.02 . 1 . . . . . 55 ILE HG21 . 27693 1 569 . 1 1 55 55 ILE HD11 H 1 0.864 0.02 . 1 . . . . . 55 ILE HD11 . 27693 1 570 . 1 1 55 55 ILE HD12 H 1 0.864 0.02 . 1 . . . . . 55 ILE HD11 . 27693 1 571 . 1 1 55 55 ILE HD13 H 1 0.864 0.02 . 1 . . . . . 55 ILE HD11 . 27693 1 572 . 1 1 55 55 ILE C C 13 175.973 0.3 . 1 . . . . . 55 ILE C . 27693 1 573 . 1 1 55 55 ILE CA C 13 61.128 0.3 . 1 . . . . . 55 ILE CA . 27693 1 574 . 1 1 55 55 ILE CB C 13 38.970 0.3 . 1 . . . . . 55 ILE CB . 27693 1 575 . 1 1 55 55 ILE CG1 C 13 27.409 0.3 . 1 . . . . . 55 ILE CG1 . 27693 1 576 . 1 1 55 55 ILE CG2 C 13 17.666 0.3 . 1 . . . . . 55 ILE CG2 . 27693 1 577 . 1 1 55 55 ILE CD1 C 13 12.945 0.3 . 1 . . . . . 55 ILE CD1 . 27693 1 578 . 1 1 55 55 ILE N N 15 119.842 0.3 . 1 . . . . . 55 ILE N . 27693 1 579 . 1 1 56 56 ALA H H 1 8.373 0.02 . 1 . . . . . 56 ALA HN . 27693 1 580 . 1 1 56 56 ALA HA H 1 4.421 0.02 . 1 . . . . . 56 ALA HA . 27693 1 581 . 1 1 56 56 ALA HB1 H 1 1.396 0.02 . 1 . . . . . 56 ALA HB1 . 27693 1 582 . 1 1 56 56 ALA HB2 H 1 1.396 0.02 . 1 . . . . . 56 ALA HB1 . 27693 1 583 . 1 1 56 56 ALA HB3 H 1 1.396 0.02 . 1 . . . . . 56 ALA HB1 . 27693 1 584 . 1 1 56 56 ALA C C 13 177.610 0.3 . 1 . . . . . 56 ALA C . 27693 1 585 . 1 1 56 56 ALA CA C 13 52.754 0.3 . 1 . . . . . 56 ALA CA . 27693 1 586 . 1 1 56 56 ALA CB C 13 19.431 0.3 . 1 . . . . . 56 ALA CB . 27693 1 587 . 1 1 56 56 ALA N N 15 127.467 0.3 . 1 . . . . . 56 ALA N . 27693 1 588 . 1 1 57 57 THR H H 1 8.040 0.02 . 1 . . . . . 57 THR HN . 27693 1 589 . 1 1 57 57 THR HA H 1 4.374 0.02 . 1 . . . . . 57 THR HA . 27693 1 590 . 1 1 57 57 THR HB H 1 4.195 0.02 . 1 . . . . . 57 THR HB . 27693 1 591 . 1 1 57 57 THR HG21 H 1 1.213 0.02 . 1 . . . . . 57 THR HG21 . 27693 1 592 . 1 1 57 57 THR HG22 H 1 1.213 0.02 . 1 . . . . . 57 THR HG21 . 27693 1 593 . 1 1 57 57 THR HG23 H 1 1.213 0.02 . 1 . . . . . 57 THR HG21 . 27693 1 594 . 1 1 57 57 THR C C 13 174.214 0.3 . 1 . . . . . 57 THR C . 27693 1 595 . 1 1 57 57 THR CA C 13 61.973 0.3 . 1 . . . . . 57 THR CA . 27693 1 596 . 1 1 57 57 THR CB C 13 69.863 0.3 . 1 . . . . . 57 THR CB . 27693 1 597 . 1 1 57 57 THR CG2 C 13 21.739 0.3 . 1 . . . . . 57 THR CG2 . 27693 1 598 . 1 1 57 57 THR N N 15 113.529 0.3 . 1 . . . . . 57 THR N . 27693 1 599 . 1 1 58 58 VAL H H 1 8.132 0.02 . 1 . . . . . 58 VAL HN . 27693 1 600 . 1 1 58 58 VAL HA H 1 4.110 0.02 . 1 . . . . . 58 VAL HA . 27693 1 601 . 1 1 58 58 VAL HB H 1 2.024 0.02 . 1 . . . . . 58 VAL HB . 27693 1 602 . 1 1 58 58 VAL HG11 H 1 0.836 0.02 . 2 . . . . . 58 VAL HG11 . 27693 1 603 . 1 1 58 58 VAL HG12 H 1 0.836 0.02 . 2 . . . . . 58 VAL HG11 . 27693 1 604 . 1 1 58 58 VAL HG13 H 1 0.836 0.02 . 2 . . . . . 58 VAL HG11 . 27693 1 605 . 1 1 58 58 VAL HG21 H 1 0.836 0.02 . 2 . . . . . 58 VAL HG21 . 27693 1 606 . 1 1 58 58 VAL HG22 H 1 0.836 0.02 . 2 . . . . . 58 VAL HG21 . 27693 1 607 . 1 1 58 58 VAL HG23 H 1 0.836 0.02 . 2 . . . . . 58 VAL HG21 . 27693 1 608 . 1 1 58 58 VAL C C 13 175.387 0.3 . 1 . . . . . 58 VAL C . 27693 1 609 . 1 1 58 58 VAL CA C 13 62.358 0.3 . 1 . . . . . 58 VAL CA . 27693 1 610 . 1 1 58 58 VAL CB C 13 32.585 0.3 . 1 . . . . . 58 VAL CB . 27693 1 611 . 1 1 58 58 VAL CG1 C 13 20.933 0.3 . 1 . . . . . 58 VAL CG1 . 27693 1 612 . 1 1 58 58 VAL CG2 C 13 21.552 0.3 . 1 . . . . . 58 VAL CG2 . 27693 1 613 . 1 1 58 58 VAL N N 15 122.362 0.3 . 1 . . . . . 58 VAL N . 27693 1 614 . 1 1 59 59 THR H H 1 7.589 0.02 . 1 . . . . . 59 THR HN . 27693 1 615 . 1 1 59 59 THR HA H 1 4.441 0.02 . 1 . . . . . 59 THR HA . 27693 1 616 . 1 1 59 59 THR HB H 1 4.441 0.02 . 1 . . . . . 59 THR HB . 27693 1 617 . 1 1 59 59 THR CA C 13 59.811 0.3 . 1 . . . . . 59 THR CA . 27693 1 618 . 1 1 59 59 THR CB C 13 65.956 0.3 . 1 . . . . . 59 THR CB . 27693 1 619 . 1 1 59 59 THR N N 15 118.433 0.3 . 1 . . . . . 59 THR N . 27693 1 620 . 1 1 60 60 PRO C C 13 176.559 0.3 . 1 . . . . . 60 PRO C . 27693 1 621 . 1 1 61 61 ALA H H 1 8.088 0.02 . 1 . . . . . 61 ALA HN . 27693 1 622 . 1 1 61 61 ALA HA H 1 4.199 0.02 . 1 . . . . . 61 ALA HA . 27693 1 623 . 1 1 61 61 ALA HB1 H 1 1.404 0.02 . 1 . . . . . 61 ALA HB1 . 27693 1 624 . 1 1 61 61 ALA HB2 H 1 1.404 0.02 . 1 . . . . . 61 ALA HB1 . 27693 1 625 . 1 1 61 61 ALA HB3 H 1 1.404 0.02 . 1 . . . . . 61 ALA HB1 . 27693 1 626 . 1 1 61 61 ALA C C 13 179.608 0.3 . 1 . . . . . 61 ALA C . 27693 1 627 . 1 1 61 61 ALA CA C 13 54.125 0.3 . 1 . . . . . 61 ALA CA . 27693 1 628 . 1 1 61 61 ALA CB C 13 18.702 0.3 . 1 . . . . . 61 ALA CB . 27693 1 629 . 1 1 61 61 ALA N N 15 118.142 0.3 . 1 . . . . . 61 ALA N . 27693 1 630 . 1 1 62 62 ILE H H 1 7.750 0.02 . 1 . . . . . 62 ILE HN . 27693 1 631 . 1 1 62 62 ILE HA H 1 3.893 0.02 . 1 . . . . . 62 ILE HA . 27693 1 632 . 1 1 62 62 ILE HB H 1 1.819 0.02 . 1 . . . . . 62 ILE HB . 27693 1 633 . 1 1 62 62 ILE HG12 H 1 1.026 0.02 . 1 . . . . . 62 ILE HG11 . 27693 1 634 . 1 1 62 62 ILE HG13 H 1 1.464 0.02 . 1 . . . . . 62 ILE HG12 . 27693 1 635 . 1 1 62 62 ILE HG21 H 1 0.770 0.02 . 1 . . . . . 62 ILE HG21 . 27693 1 636 . 1 1 62 62 ILE HG22 H 1 0.770 0.02 . 1 . . . . . 62 ILE HG21 . 27693 1 637 . 1 1 62 62 ILE HG23 H 1 0.770 0.02 . 1 . . . . . 62 ILE HG21 . 27693 1 638 . 1 1 62 62 ILE HD11 H 1 0.802 0.02 . 1 . . . . . 62 ILE HD11 . 27693 1 639 . 1 1 62 62 ILE HD12 H 1 0.802 0.02 . 1 . . . . . 62 ILE HD11 . 27693 1 640 . 1 1 62 62 ILE HD13 H 1 0.802 0.02 . 1 . . . . . 62 ILE HD11 . 27693 1 641 . 1 1 62 62 ILE C C 13 176.906 0.3 . 1 . . . . . 62 ILE C . 27693 1 642 . 1 1 62 62 ILE CA C 13 63.003 0.3 . 1 . . . . . 62 ILE CA . 27693 1 643 . 1 1 62 62 ILE CB C 13 38.238 0.3 . 1 . . . . . 62 ILE CB . 27693 1 644 . 1 1 62 62 ILE CG1 C 13 28.419 0.3 . 1 . . . . . 62 ILE CG1 . 27693 1 645 . 1 1 62 62 ILE CG2 C 13 17.564 0.3 . 1 . . . . . 62 ILE CG2 . 27693 1 646 . 1 1 62 62 ILE CD1 C 13 12.949 0.3 . 1 . . . . . 62 ILE CD1 . 27693 1 647 . 1 1 62 62 ILE N N 15 119.835 0.3 . 1 . . . . . 62 ILE N . 27693 1 648 . 1 1 63 63 VAL H H 1 7.814 0.02 . 1 . . . . . 63 VAL HN . 27693 1 649 . 1 1 63 63 VAL HA H 1 4.227 0.02 . 1 . . . . . 63 VAL HA . 27693 1 650 . 1 1 63 63 VAL HB H 1 2.036 0.02 . 1 . . . . . 63 VAL HB . 27693 1 651 . 1 1 63 63 VAL HG11 H 1 0.846 0.02 . 2 . . . . . 63 VAL HG11 . 27693 1 652 . 1 1 63 63 VAL HG12 H 1 0.846 0.02 . 2 . . . . . 63 VAL HG11 . 27693 1 653 . 1 1 63 63 VAL HG13 H 1 0.846 0.02 . 2 . . . . . 63 VAL HG11 . 27693 1 654 . 1 1 63 63 VAL HG21 H 1 0.846 0.02 . 2 . . . . . 63 VAL HG21 . 27693 1 655 . 1 1 63 63 VAL HG22 H 1 0.846 0.02 . 2 . . . . . 63 VAL HG21 . 27693 1 656 . 1 1 63 63 VAL HG23 H 1 0.846 0.02 . 2 . . . . . 63 VAL HG21 . 27693 1 657 . 1 1 63 63 VAL C C 13 176.394 0.3 . 1 . . . . . 63 VAL C . 27693 1 658 . 1 1 63 63 VAL CA C 13 65.148 0.3 . 1 . . . . . 63 VAL CA . 27693 1 659 . 1 1 63 63 VAL CB C 13 32.030 0.3 . 1 . . . . . 63 VAL CB . 27693 1 660 . 1 1 63 63 VAL CG1 C 13 21.162 0.3 . 1 . . . . . 63 VAL CG1 . 27693 1 661 . 1 1 63 63 VAL CG2 C 13 21.662 0.3 . 1 . . . . . 63 VAL CG2 . 27693 1 662 . 1 1 63 63 VAL N N 15 121.653 0.3 . 1 . . . . . 63 VAL N . 27693 1 663 . 1 1 64 64 GLN H H 1 8.457 0.02 . 1 . . . . . 64 GLN HN . 27693 1 664 . 1 1 64 64 GLN HA H 1 4.128 0.02 . 1 . . . . . 64 GLN HA . 27693 1 665 . 1 1 64 64 GLN HB2 H 1 2.067 0.02 . 2 . . . . . 64 GLN HB1 . 27693 1 666 . 1 1 64 64 GLN HB3 H 1 2.067 0.02 . 2 . . . . . 64 GLN HB2 . 27693 1 667 . 1 1 64 64 GLN HG2 H 1 2.361 0.02 . 2 . . . . . 64 GLN HG1 . 27693 1 668 . 1 1 64 64 GLN HG3 H 1 2.361 0.02 . 2 . . . . . 64 GLN HG2 . 27693 1 669 . 1 1 64 64 GLN C C 13 177.199 0.3 . 1 . . . . . 64 GLN C . 27693 1 670 . 1 1 64 64 GLN CA C 13 57.822 0.3 . 1 . . . . . 64 GLN CA . 27693 1 671 . 1 1 64 64 GLN CB C 13 28.850 0.3 . 1 . . . . . 64 GLN CB . 27693 1 672 . 1 1 64 64 GLN CG C 13 33.800 0.3 . 1 . . . . . 64 GLN CG . 27693 1 673 . 1 1 64 64 GLN N N 15 119.949 0.3 . 1 . . . . . 64 GLN N . 27693 1 674 . 1 1 65 65 ALA H H 1 8.026 0.02 . 1 . . . . . 65 ALA HN . 27693 1 675 . 1 1 65 65 ALA HA H 1 4.279 0.02 . 1 . . . . . 65 ALA HA . 27693 1 676 . 1 1 65 65 ALA HB1 H 1 1.477 0.02 . 1 . . . . . 65 ALA HB1 . 27693 1 677 . 1 1 65 65 ALA HB2 H 1 1.477 0.02 . 1 . . . . . 65 ALA HB1 . 27693 1 678 . 1 1 65 65 ALA HB3 H 1 1.477 0.02 . 1 . . . . . 65 ALA HB1 . 27693 1 679 . 1 1 65 65 ALA C C 13 179.151 0.3 . 1 . . . . . 65 ALA C . 27693 1 680 . 1 1 65 65 ALA CA C 13 54.083 0.3 . 1 . . . . . 65 ALA CA . 27693 1 681 . 1 1 65 65 ALA CB C 13 18.946 0.3 . 1 . . . . . 65 ALA CB . 27693 1 682 . 1 1 65 65 ALA N N 15 122.328 0.3 . 1 . . . . . 65 ALA N . 27693 1 683 . 1 1 66 66 CYS H H 1 8.245 0.02 . 1 . . . . . 66 CYS HN . 27693 1 684 . 1 1 66 66 CYS C C 13 175.635 0.3 . 1 . . . . . 66 CYS C . 27693 1 685 . 1 1 66 66 CYS CA C 13 56.018 0.3 . 1 . . . . . 66 CYS CA . 27693 1 686 . 1 1 66 66 CYS CB C 13 39.722 0.3 . 1 . . . . . 66 CYS CB . 27693 1 687 . 1 1 66 66 CYS N N 15 115.381 0.3 . 1 . . . . . 66 CYS N . 27693 1 688 . 1 1 67 67 THR H H 1 8.072 0.02 . 1 . . . . . 67 THR HN . 27693 1 689 . 1 1 67 67 THR HA H 1 4.657 0.02 . 1 . . . . . 67 THR HA . 27693 1 690 . 1 1 67 67 THR HB H 1 4.294 0.02 . 1 . . . . . 67 THR HB . 27693 1 691 . 1 1 67 67 THR HG21 H 1 1.246 0.02 . 1 . . . . . 67 THR HG21 . 27693 1 692 . 1 1 67 67 THR HG22 H 1 1.246 0.02 . 1 . . . . . 67 THR HG21 . 27693 1 693 . 1 1 67 67 THR HG23 H 1 1.246 0.02 . 1 . . . . . 67 THR HG21 . 27693 1 694 . 1 1 67 67 THR C C 13 174.919 0.3 . 1 . . . . . 67 THR C . 27693 1 695 . 1 1 67 67 THR CA C 13 63.385 0.3 . 1 . . . . . 67 THR CA . 27693 1 696 . 1 1 67 67 THR CB C 13 69.852 0.3 . 1 . . . . . 67 THR CB . 27693 1 697 . 1 1 67 67 THR CG2 C 13 21.483 0.3 . 1 . . . . . 67 THR CG2 . 27693 1 698 . 1 1 67 67 THR N N 15 114.259 0.3 . 1 . . . . . 67 THR N . 27693 1 699 . 1 1 68 68 GLN H H 1 8.140 0.02 . 1 . . . . . 68 GLN HN . 27693 1 700 . 1 1 68 68 GLN HA H 1 4.244 0.02 . 1 . . . . . 68 GLN HA . 27693 1 701 . 1 1 68 68 GLN HB2 H 1 2.014 0.02 . 2 . . . . . 68 GLN HB1 . 27693 1 702 . 1 1 68 68 GLN HB3 H 1 2.139 0.02 . 2 . . . . . 68 GLN HB2 . 27693 1 703 . 1 1 68 68 GLN HG2 H 1 2.372 0.02 . 2 . . . . . 68 GLN HG1 . 27693 1 704 . 1 1 68 68 GLN HG3 H 1 2.372 0.02 . 2 . . . . . 68 GLN HG2 . 27693 1 705 . 1 1 68 68 GLN C C 13 175.752 0.3 . 1 . . . . . 68 GLN C . 27693 1 706 . 1 1 68 68 GLN CA C 13 56.645 0.3 . 1 . . . . . 68 GLN CA . 27693 1 707 . 1 1 68 68 GLN CB C 13 29.065 0.3 . 1 . . . . . 68 GLN CB . 27693 1 708 . 1 1 68 68 GLN CG C 13 32.864 0.3 . 1 . . . . . 68 GLN CG . 27693 1 709 . 1 1 68 68 GLN N N 15 120.849 0.3 . 1 . . . . . 68 GLN N . 27693 1 710 . 1 1 69 69 ASP H H 1 8.286 0.02 . 1 . . . . . 69 ASP HN . 27693 1 711 . 1 1 69 69 ASP HA H 1 4.691 0.02 . 1 . . . . . 69 ASP HA . 27693 1 712 . 1 1 69 69 ASP HB2 H 1 2.882 0.02 . 2 . . . . . 69 ASP HB1 . 27693 1 713 . 1 1 69 69 ASP HB3 H 1 2.978 0.02 . 2 . . . . . 69 ASP HB2 . 27693 1 714 . 1 1 69 69 ASP C C 13 175.248 0.3 . 1 . . . . . 69 ASP C . 27693 1 715 . 1 1 69 69 ASP CA C 13 53.300 0.3 . 1 . . . . . 69 ASP CA . 27693 1 716 . 1 1 69 69 ASP CB C 13 37.944 0.3 . 1 . . . . . 69 ASP CB . 27693 1 717 . 1 1 69 69 ASP N N 15 119.103 0.3 . 1 . . . . . 69 ASP N . 27693 1 718 . 1 1 70 70 LYS H H 1 8.250 0.02 . 1 . . . . . 70 LYS HN . 27693 1 719 . 1 1 70 70 LYS HA H 1 4.273 0.02 . 1 . . . . . 70 LYS HA . 27693 1 720 . 1 1 70 70 LYS HB2 H 1 1.804 0.02 . 2 . . . . . 70 LYS HB1 . 27693 1 721 . 1 1 70 70 LYS HB3 H 1 1.898 0.02 . 2 . . . . . 70 LYS HB2 . 27693 1 722 . 1 1 70 70 LYS HG2 H 1 1.487 0.02 . 2 . . . . . 70 LYS HG1 . 27693 1 723 . 1 1 70 70 LYS HG3 H 1 1.487 0.02 . 2 . . . . . 70 LYS HG2 . 27693 1 724 . 1 1 70 70 LYS HD2 H 1 1.712 0.02 . 2 . . . . . 70 LYS HD1 . 27693 1 725 . 1 1 70 70 LYS HD3 H 1 1.712 0.02 . 2 . . . . . 70 LYS HD2 . 27693 1 726 . 1 1 70 70 LYS HE2 H 1 2.837 0.02 . 2 . . . . . 70 LYS HE1 . 27693 1 727 . 1 1 70 70 LYS HE3 H 1 2.837 0.02 . 2 . . . . . 70 LYS HE2 . 27693 1 728 . 1 1 70 70 LYS C C 13 176.815 0.3 . 1 . . . . . 70 LYS C . 27693 1 729 . 1 1 70 70 LYS CA C 13 57.035 0.3 . 1 . . . . . 70 LYS CA . 27693 1 730 . 1 1 70 70 LYS CB C 13 32.780 0.3 . 1 . . . . . 70 LYS CB . 27693 1 731 . 1 1 70 70 LYS CG C 13 24.871 0.3 . 1 . . . . . 70 LYS CG . 27693 1 732 . 1 1 70 70 LYS CD C 13 28.917 0.3 . 1 . . . . . 70 LYS CD . 27693 1 733 . 1 1 70 70 LYS CE C 13 42.202 0.3 . 1 . . . . . 70 LYS CE . 27693 1 734 . 1 1 70 70 LYS N N 15 121.643 0.3 . 1 . . . . . 70 LYS N . 27693 1 735 . 1 1 71 71 GLN H H 1 8.245 0.02 . 1 . . . . . 71 GLN HN . 27693 1 736 . 1 1 71 71 GLN HA H 1 4.282 0.02 . 1 . . . . . 71 GLN HA . 27693 1 737 . 1 1 71 71 GLN HB2 H 1 2.031 0.02 . 2 . . . . . 71 GLN HB1 . 27693 1 738 . 1 1 71 71 GLN HB3 H 1 2.131 0.02 . 2 . . . . . 71 GLN HB2 . 27693 1 739 . 1 1 71 71 GLN HG2 H 1 2.403 0.02 . 2 . . . . . 71 GLN HG1 . 27693 1 740 . 1 1 71 71 GLN HG3 H 1 2.403 0.02 . 2 . . . . . 71 GLN HG2 . 27693 1 741 . 1 1 71 71 GLN C C 13 176.109 0.3 . 1 . . . . . 71 GLN C . 27693 1 742 . 1 1 71 71 GLN CA C 13 56.253 0.3 . 1 . . . . . 71 GLN CA . 27693 1 743 . 1 1 71 71 GLN CB C 13 29.088 0.3 . 1 . . . . . 71 GLN CB . 27693 1 744 . 1 1 71 71 GLN CG C 13 33.911 0.3 . 1 . . . . . 71 GLN CG . 27693 1 745 . 1 1 71 71 GLN N N 15 119.943 0.3 . 1 . . . . . 71 GLN N . 27693 1 746 . 1 1 72 72 ALA H H 1 8.189 0.02 . 1 . . . . . 72 ALA HN . 27693 1 747 . 1 1 72 72 ALA HA H 1 4.235 0.02 . 1 . . . . . 72 ALA HA . 27693 1 748 . 1 1 72 72 ALA HB1 H 1 1.353 0.02 . 1 . . . . . 72 ALA HB1 . 27693 1 749 . 1 1 72 72 ALA HB2 H 1 1.353 0.02 . 1 . . . . . 72 ALA HB1 . 27693 1 750 . 1 1 72 72 ALA HB3 H 1 1.353 0.02 . 1 . . . . . 72 ALA HB1 . 27693 1 751 . 1 1 72 72 ALA C C 13 177.494 0.3 . 1 . . . . . 72 ALA C . 27693 1 752 . 1 1 72 72 ALA CA C 13 52.942 0.3 . 1 . . . . . 72 ALA CA . 27693 1 753 . 1 1 72 72 ALA CB C 13 19.188 0.3 . 1 . . . . . 72 ALA CB . 27693 1 754 . 1 1 72 72 ALA N N 15 124.322 0.3 . 1 . . . . . 72 ALA N . 27693 1 755 . 1 1 73 73 ASN H H 1 8.241 0.02 . 1 . . . . . 73 ASN HN . 27693 1 756 . 1 1 73 73 ASN HA H 1 4.660 0.02 . 1 . . . . . 73 ASN HA . 27693 1 757 . 1 1 73 73 ASN HB2 H 1 2.756 0.02 . 2 . . . . . 73 ASN HB1 . 27693 1 758 . 1 1 73 73 ASN HB3 H 1 2.801 0.02 . 2 . . . . . 73 ASN HB2 . 27693 1 759 . 1 1 73 73 ASN C C 13 175.289 0.3 . 1 . . . . . 73 ASN C . 27693 1 760 . 1 1 73 73 ASN CA C 13 53.362 0.3 . 1 . . . . . 73 ASN CA . 27693 1 761 . 1 1 73 73 ASN CB C 13 38.748 0.3 . 1 . . . . . 73 ASN CB . 27693 1 762 . 1 1 73 73 ASN N N 15 117.033 0.3 . 1 . . . . . 73 ASN N . 27693 1 763 . 1 1 74 74 PHE H H 1 8.099 0.02 . 1 . . . . . 74 PHE HN . 27693 1 764 . 1 1 74 74 PHE HA H 1 4.607 0.02 . 1 . . . . . 74 PHE HA . 27693 1 765 . 1 1 74 74 PHE HB2 H 1 3.066 0.02 . 2 . . . . . 74 PHE HB1 . 27693 1 766 . 1 1 74 74 PHE HB3 H 1 3.163 0.02 . 2 . . . . . 74 PHE HB2 . 27693 1 767 . 1 1 74 74 PHE C C 13 176.014 0.3 . 1 . . . . . 74 PHE C . 27693 1 768 . 1 1 74 74 PHE CA C 13 58.542 0.3 . 1 . . . . . 74 PHE CA . 27693 1 769 . 1 1 74 74 PHE CB C 13 39.420 0.3 . 1 . . . . . 74 PHE CB . 27693 1 770 . 1 1 74 74 PHE N N 15 120.742 0.3 . 1 . . . . . 74 PHE N . 27693 1 771 . 1 1 75 75 LYS H H 1 8.196 0.02 . 1 . . . . . 75 LYS HN . 27693 1 772 . 1 1 75 75 LYS HA H 1 4.196 0.02 . 1 . . . . . 75 LYS HA . 27693 1 773 . 1 1 75 75 LYS HB2 H 1 1.751 0.02 . 2 . . . . . 75 LYS HB1 . 27693 1 774 . 1 1 75 75 LYS HB3 H 1 1.793 0.02 . 2 . . . . . 75 LYS HB2 . 27693 1 775 . 1 1 75 75 LYS HG2 H 1 1.360 0.02 . 2 . . . . . 75 LYS HG1 . 27693 1 776 . 1 1 75 75 LYS HG3 H 1 1.360 0.02 . 2 . . . . . 75 LYS HG2 . 27693 1 777 . 1 1 75 75 LYS HD2 H 1 1.665 0.02 . 2 . . . . . 75 LYS HD1 . 27693 1 778 . 1 1 75 75 LYS HD3 H 1 1.665 0.02 . 2 . . . . . 75 LYS HD2 . 27693 1 779 . 1 1 75 75 LYS C C 13 176.437 0.3 . 1 . . . . . 75 LYS C . 27693 1 780 . 1 1 75 75 LYS CA C 13 56.904 0.3 . 1 . . . . . 75 LYS CA . 27693 1 781 . 1 1 75 75 LYS CB C 13 32.948 0.3 . 1 . . . . . 75 LYS CB . 27693 1 782 . 1 1 75 75 LYS CG C 13 24.867 0.3 . 1 . . . . . 75 LYS CG . 27693 1 783 . 1 1 75 75 LYS CD C 13 29.038 0.3 . 1 . . . . . 75 LYS CD . 27693 1 784 . 1 1 75 75 LYS CE C 13 42.214 0.3 . 1 . . . . . 75 LYS CE . 27693 1 785 . 1 1 75 75 LYS N N 15 122.281 0.3 . 1 . . . . . 75 LYS N . 27693 1 786 . 1 1 76 76 ASP H H 1 8.220 0.02 . 1 . . . . . 76 ASP HN . 27693 1 787 . 1 1 76 76 ASP HA H 1 4.658 0.02 . 1 . . . . . 76 ASP HA . 27693 1 788 . 1 1 76 76 ASP HB2 H 1 2.849 0.02 . 2 . . . . . 76 ASP HB1 . 27693 1 789 . 1 1 76 76 ASP HB3 H 1 2.966 0.02 . 2 . . . . . 76 ASP HB2 . 27693 1 790 . 1 1 76 76 ASP C C 13 175.172 0.3 . 1 . . . . . 76 ASP C . 27693 1 791 . 1 1 76 76 ASP CA C 13 53.315 0.3 . 1 . . . . . 76 ASP CA . 27693 1 792 . 1 1 76 76 ASP CB C 13 38.047 0.3 . 1 . . . . . 76 ASP CB . 27693 1 793 . 1 1 76 76 ASP N N 15 118.694 0.3 . 1 . . . . . 76 ASP N . 27693 1 794 . 1 1 77 77 LYS H H 1 8.163 0.02 . 1 . . . . . 77 LYS HN . 27693 1 795 . 1 1 77 77 LYS HA H 1 4.341 0.02 . 1 . . . . . 77 LYS HA . 27693 1 796 . 1 1 77 77 LYS HB2 H 1 1.767 0.02 . 2 . . . . . 77 LYS HB1 . 27693 1 797 . 1 1 77 77 LYS HB3 H 1 1.845 0.02 . 2 . . . . . 77 LYS HB2 . 27693 1 798 . 1 1 77 77 LYS HG2 H 1 1.379 0.02 . 2 . . . . . 77 LYS HG1 . 27693 1 799 . 1 1 77 77 LYS HG3 H 1 1.379 0.02 . 2 . . . . . 77 LYS HG2 . 27693 1 800 . 1 1 77 77 LYS HD2 H 1 1.671 0.02 . 2 . . . . . 77 LYS HD1 . 27693 1 801 . 1 1 77 77 LYS HD3 H 1 1.671 0.02 . 2 . . . . . 77 LYS HD2 . 27693 1 802 . 1 1 77 77 LYS HE2 H 1 2.818 0.02 . 2 . . . . . 77 LYS HE1 . 27693 1 803 . 1 1 77 77 LYS HE3 H 1 2.818 0.02 . 2 . . . . . 77 LYS HE2 . 27693 1 804 . 1 1 77 77 LYS C C 13 176.774 0.3 . 1 . . . . . 77 LYS C . 27693 1 805 . 1 1 77 77 LYS CA C 13 56.203 0.3 . 1 . . . . . 77 LYS CA . 27693 1 806 . 1 1 77 77 LYS CB C 13 32.972 0.3 . 1 . . . . . 77 LYS CB . 27693 1 807 . 1 1 77 77 LYS CG C 13 24.869 0.3 . 1 . . . . . 77 LYS CG . 27693 1 808 . 1 1 77 77 LYS CD C 13 29.153 0.3 . 1 . . . . . 77 LYS CD . 27693 1 809 . 1 1 77 77 LYS CE C 13 42.132 0.3 . 1 . . . . . 77 LYS CE . 27693 1 810 . 1 1 77 77 LYS N N 15 121.785 0.3 . 1 . . . . . 77 LYS N . 27693 1 811 . 1 1 78 78 VAL H H 1 8.065 0.02 . 1 . . . . . 78 VAL HN . 27693 1 812 . 1 1 78 78 VAL HA H 1 4.118 0.02 . 1 . . . . . 78 VAL HA . 27693 1 813 . 1 1 78 78 VAL HB H 1 2.084 0.02 . 1 . . . . . 78 VAL HB . 27693 1 814 . 1 1 78 78 VAL HG11 H 1 0.943 0.02 . 2 . . . . . 78 VAL HG11 . 27693 1 815 . 1 1 78 78 VAL HG12 H 1 0.943 0.02 . 2 . . . . . 78 VAL HG11 . 27693 1 816 . 1 1 78 78 VAL HG13 H 1 0.943 0.02 . 2 . . . . . 78 VAL HG11 . 27693 1 817 . 1 1 78 78 VAL HG21 H 1 0.943 0.02 . 2 . . . . . 78 VAL HG21 . 27693 1 818 . 1 1 78 78 VAL HG22 H 1 0.943 0.02 . 2 . . . . . 78 VAL HG21 . 27693 1 819 . 1 1 78 78 VAL HG23 H 1 0.943 0.02 . 2 . . . . . 78 VAL HG21 . 27693 1 820 . 1 1 78 78 VAL C C 13 176.323 0.3 . 1 . . . . . 78 VAL C . 27693 1 821 . 1 1 78 78 VAL CA C 13 62.561 0.3 . 1 . . . . . 78 VAL CA . 27693 1 822 . 1 1 78 78 VAL CB C 13 32.738 0.3 . 1 . . . . . 78 VAL CB . 27693 1 823 . 1 1 78 78 VAL CG1 C 13 20.673 0.3 . 1 . . . . . 78 VAL CG1 . 27693 1 824 . 1 1 78 78 VAL CG2 C 13 21.269 0.3 . 1 . . . . . 78 VAL CG2 . 27693 1 825 . 1 1 78 78 VAL N N 15 121.195 0.3 . 1 . . . . . 78 VAL N . 27693 1 826 . 1 1 79 79 LYS H H 1 8.407 0.02 . 1 . . . . . 79 LYS HN . 27693 1 827 . 1 1 79 79 LYS HA H 1 4.262 0.02 . 1 . . . . . 79 LYS HA . 27693 1 828 . 1 1 79 79 LYS HB2 H 1 1.798 0.02 . 2 . . . . . 79 LYS HB1 . 27693 1 829 . 1 1 79 79 LYS HB3 H 1 1.844 0.02 . 2 . . . . . 79 LYS HB2 . 27693 1 830 . 1 1 79 79 LYS HG2 H 1 1.414 0.02 . 2 . . . . . 79 LYS HG1 . 27693 1 831 . 1 1 79 79 LYS HG3 H 1 1.486 0.02 . 2 . . . . . 79 LYS HG2 . 27693 1 832 . 1 1 79 79 LYS HD2 H 1 1.700 0.02 . 2 . . . . . 79 LYS HD1 . 27693 1 833 . 1 1 79 79 LYS HD3 H 1 1.700 0.02 . 2 . . . . . 79 LYS HD2 . 27693 1 834 . 1 1 79 79 LYS C C 13 177.139 0.3 . 1 . . . . . 79 LYS C . 27693 1 835 . 1 1 79 79 LYS CA C 13 57.094 0.3 . 1 . . . . . 79 LYS CA . 27693 1 836 . 1 1 79 79 LYS CB C 13 32.862 0.3 . 1 . . . . . 79 LYS CB . 27693 1 837 . 1 1 79 79 LYS CG C 13 24.896 0.3 . 1 . . . . . 79 LYS CG . 27693 1 838 . 1 1 79 79 LYS CD C 13 29.198 0.3 . 1 . . . . . 79 LYS CD . 27693 1 839 . 1 1 79 79 LYS CE C 13 42.273 0.3 . 1 . . . . . 79 LYS CE . 27693 1 840 . 1 1 79 79 LYS N N 15 125.585 0.3 . 1 . . . . . 79 LYS N . 27693 1 841 . 1 1 80 80 GLY H H 1 8.249 0.02 . 1 . . . . . 80 GLY HN . 27693 1 842 . 1 1 80 80 GLY HA2 H 1 3.856 0.02 . 2 . . . . . 80 GLY HA1 . 27693 1 843 . 1 1 80 80 GLY HA3 H 1 3.903 0.02 . 2 . . . . . 80 GLY HA2 . 27693 1 844 . 1 1 80 80 GLY C C 13 174.316 0.3 . 1 . . . . . 80 GLY C . 27693 1 845 . 1 1 80 80 GLY CA C 13 45.448 0.3 . 1 . . . . . 80 GLY CA . 27693 1 846 . 1 1 80 80 GLY N N 15 109.489 0.3 . 1 . . . . . 80 GLY N . 27693 1 847 . 1 1 81 81 GLU H H 1 8.099 0.02 . 1 . . . . . 81 GLU HN . 27693 1 848 . 1 1 81 81 GLU HA H 1 4.302 0.02 . 1 . . . . . 81 GLU HA . 27693 1 849 . 1 1 81 81 GLU HB2 H 1 1.937 0.02 . 2 . . . . . 81 GLU HB1 . 27693 1 850 . 1 1 81 81 GLU HB3 H 1 1.985 0.02 . 2 . . . . . 81 GLU HB2 . 27693 1 851 . 1 1 81 81 GLU HG2 H 1 2.308 0.02 . 2 . . . . . 81 GLU HG1 . 27693 1 852 . 1 1 81 81 GLU HG3 H 1 2.354 0.02 . 2 . . . . . 81 GLU HG2 . 27693 1 853 . 1 1 81 81 GLU C C 13 176.200 0.3 . 1 . . . . . 81 GLU C . 27693 1 854 . 1 1 81 81 GLU CA C 13 56.144 0.3 . 1 . . . . . 81 GLU CA . 27693 1 855 . 1 1 81 81 GLU CB C 13 28.641 0.3 . 1 . . . . . 81 GLU CB . 27693 1 856 . 1 1 81 81 GLU CG C 13 32.535 0.3 . 1 . . . . . 81 GLU CG . 27693 1 857 . 1 1 81 81 GLU N N 15 119.714 0.3 . 1 . . . . . 81 GLU N . 27693 1 858 . 1 1 82 82 TRP H H 1 8.117 0.02 . 1 . . . . . 82 TRP HN . 27693 1 859 . 1 1 82 82 TRP HA H 1 4.668 0.02 . 1 . . . . . 82 TRP HA . 27693 1 860 . 1 1 82 82 TRP HB2 H 1 3.279 0.02 . 2 . . . . . 82 TRP HB1 . 27693 1 861 . 1 1 82 82 TRP HB3 H 1 3.345 0.02 . 2 . . . . . 82 TRP HB2 . 27693 1 862 . 1 1 82 82 TRP C C 13 176.111 0.3 . 1 . . . . . 82 TRP C . 27693 1 863 . 1 1 82 82 TRP CA C 13 57.543 0.3 . 1 . . . . . 82 TRP CA . 27693 1 864 . 1 1 82 82 TRP CB C 13 29.306 0.3 . 1 . . . . . 82 TRP CB . 27693 1 865 . 1 1 82 82 TRP N N 15 121.059 0.3 . 1 . . . . . 82 TRP N . 27693 1 866 . 1 1 83 83 ASP H H 1 8.158 0.02 . 1 . . . . . 83 ASP HN . 27693 1 867 . 1 1 83 83 ASP HA H 1 4.610 0.02 . 1 . . . . . 83 ASP HA . 27693 1 868 . 1 1 83 83 ASP HB2 H 1 2.674 0.02 . 2 . . . . . 83 ASP HB1 . 27693 1 869 . 1 1 83 83 ASP HB3 H 1 2.738 0.02 . 2 . . . . . 83 ASP HB2 . 27693 1 870 . 1 1 83 83 ASP C C 13 174.943 0.3 . 1 . . . . . 83 ASP C . 27693 1 871 . 1 1 83 83 ASP CA C 13 53.267 0.3 . 1 . . . . . 83 ASP CA . 27693 1 872 . 1 1 83 83 ASP CB C 13 38.819 0.3 . 1 . . . . . 83 ASP CB . 27693 1 873 . 1 1 83 83 ASP N N 15 119.487 0.3 . 1 . . . . . 83 ASP N . 27693 1 874 . 1 1 84 84 LYS H H 1 7.950 0.02 . 1 . . . . . 84 LYS HN . 27693 1 875 . 1 1 84 84 LYS HA H 1 4.231 0.02 . 1 . . . . . 84 LYS HA . 27693 1 876 . 1 1 84 84 LYS HB2 H 1 1.742 0.02 . 2 . . . . . 84 LYS HB1 . 27693 1 877 . 1 1 84 84 LYS HB3 H 1 1.835 0.02 . 2 . . . . . 84 LYS HB2 . 27693 1 878 . 1 1 84 84 LYS HG2 H 1 1.353 0.02 . 2 . . . . . 84 LYS HG1 . 27693 1 879 . 1 1 84 84 LYS HG3 H 1 1.426 0.02 . 2 . . . . . 84 LYS HG2 . 27693 1 880 . 1 1 84 84 LYS HD2 H 1 1.678 0.02 . 2 . . . . . 84 LYS HD1 . 27693 1 881 . 1 1 84 84 LYS HD3 H 1 1.678 0.02 . 2 . . . . . 84 LYS HD2 . 27693 1 882 . 1 1 84 84 LYS HE2 H 1 2.681 0.02 . 2 . . . . . 84 LYS HE1 . 27693 1 883 . 1 1 84 84 LYS HE3 H 1 2.748 0.02 . 2 . . . . . 84 LYS HE2 . 27693 1 884 . 1 1 84 84 LYS C C 13 176.381 0.3 . 1 . . . . . 84 LYS C . 27693 1 885 . 1 1 84 84 LYS CA C 13 56.685 0.3 . 1 . . . . . 84 LYS CA . 27693 1 886 . 1 1 84 84 LYS CB C 13 32.867 0.3 . 1 . . . . . 84 LYS CB . 27693 1 887 . 1 1 84 84 LYS CG C 13 24.834 0.3 . 1 . . . . . 84 LYS CG . 27693 1 888 . 1 1 84 84 LYS CD C 13 29.093 0.3 . 1 . . . . . 84 LYS CD . 27693 1 889 . 1 1 84 84 LYS CE C 13 42.296 0.3 . 1 . . . . . 84 LYS CE . 27693 1 890 . 1 1 84 84 LYS N N 15 121.353 0.3 . 1 . . . . . 84 LYS N . 27693 1 891 . 1 1 85 85 ILE H H 1 7.930 0.02 . 1 . . . . . 85 ILE HN . 27693 1 892 . 1 1 85 85 ILE HA H 1 4.136 0.02 . 1 . . . . . 85 ILE HA . 27693 1 893 . 1 1 85 85 ILE HB H 1 1.870 0.02 . 1 . . . . . 85 ILE HB . 27693 1 894 . 1 1 85 85 ILE HG12 H 1 1.473 0.02 . 1 . . . . . 85 ILE HG11 . 27693 1 895 . 1 1 85 85 ILE HG13 H 1 1.473 0.02 . 1 . . . . . 85 ILE HG12 . 27693 1 896 . 1 1 85 85 ILE HG21 H 1 1.224 0.02 . 1 . . . . . 85 ILE HG21 . 27693 1 897 . 1 1 85 85 ILE HG22 H 1 1.224 0.02 . 1 . . . . . 85 ILE HG21 . 27693 1 898 . 1 1 85 85 ILE HG23 H 1 1.224 0.02 . 1 . . . . . 85 ILE HG21 . 27693 1 899 . 1 1 85 85 ILE HD11 H 1 0.859 0.02 . 1 . . . . . 85 ILE HD11 . 27693 1 900 . 1 1 85 85 ILE HD12 H 1 0.859 0.02 . 1 . . . . . 85 ILE HD11 . 27693 1 901 . 1 1 85 85 ILE HD13 H 1 0.859 0.02 . 1 . . . . . 85 ILE HD11 . 27693 1 902 . 1 1 85 85 ILE C C 13 176.437 0.3 . 1 . . . . . 85 ILE C . 27693 1 903 . 1 1 85 85 ILE CA C 13 61.374 0.3 . 1 . . . . . 85 ILE CA . 27693 1 904 . 1 1 85 85 ILE CB C 13 38.572 0.3 . 1 . . . . . 85 ILE CB . 27693 1 905 . 1 1 85 85 ILE CG1 C 13 27.469 0.3 . 1 . . . . . 85 ILE CG1 . 27693 1 906 . 1 1 85 85 ILE CG2 C 13 17.592 0.3 . 1 . . . . . 85 ILE CG2 . 27693 1 907 . 1 1 85 85 ILE CD1 C 13 12.886 0.3 . 1 . . . . . 85 ILE CD1 . 27693 1 908 . 1 1 85 85 ILE N N 15 121.078 0.3 . 1 . . . . . 85 ILE N . 27693 1 909 . 1 1 86 86 LYS H H 1 8.318 0.02 . 1 . . . . . 86 LYS HN . 27693 1 910 . 1 1 86 86 LYS HA H 1 4.276 0.02 . 1 . . . . . 86 LYS HA . 27693 1 911 . 1 1 86 86 LYS HB2 H 1 1.724 0.02 . 2 . . . . . 86 LYS HB1 . 27693 1 912 . 1 1 86 86 LYS HB3 H 1 1.786 0.02 . 2 . . . . . 86 LYS HB2 . 27693 1 913 . 1 1 86 86 LYS HG2 H 1 1.420 0.02 . 2 . . . . . 86 LYS HG1 . 27693 1 914 . 1 1 86 86 LYS HG3 H 1 1.420 0.02 . 2 . . . . . 86 LYS HG2 . 27693 1 915 . 1 1 86 86 LYS HD2 H 1 1.683 0.02 . 2 . . . . . 86 LYS HD1 . 27693 1 916 . 1 1 86 86 LYS HD3 H 1 1.683 0.02 . 2 . . . . . 86 LYS HD2 . 27693 1 917 . 1 1 86 86 LYS HE2 H 1 2.854 0.02 . 2 . . . . . 86 LYS HE1 . 27693 1 918 . 1 1 86 86 LYS HE3 H 1 2.951 0.02 . 2 . . . . . 86 LYS HE2 . 27693 1 919 . 1 1 86 86 LYS C C 13 176.444 0.3 . 1 . . . . . 86 LYS C . 27693 1 920 . 1 1 86 86 LYS CA C 13 56.650 0.3 . 1 . . . . . 86 LYS CA . 27693 1 921 . 1 1 86 86 LYS CB C 13 32.942 0.3 . 1 . . . . . 86 LYS CB . 27693 1 922 . 1 1 86 86 LYS CG C 13 24.767 0.3 . 1 . . . . . 86 LYS CG . 27693 1 923 . 1 1 86 86 LYS CD C 13 29.076 0.3 . 1 . . . . . 86 LYS CD . 27693 1 924 . 1 1 86 86 LYS CE C 13 42.228 0.3 . 1 . . . . . 86 LYS CE . 27693 1 925 . 1 1 86 86 LYS N N 15 125.855 0.3 . 1 . . . . . 86 LYS N . 27693 1 926 . 1 1 87 87 LYS H H 1 8.245 0.02 . 1 . . . . . 87 LYS HN . 27693 1 927 . 1 1 87 87 LYS HA H 1 4.289 0.02 . 1 . . . . . 87 LYS HA . 27693 1 928 . 1 1 87 87 LYS HB2 H 1 1.784 0.02 . 2 . . . . . 87 LYS HB1 . 27693 1 929 . 1 1 87 87 LYS HB3 H 1 1.831 0.02 . 2 . . . . . 87 LYS HB2 . 27693 1 930 . 1 1 87 87 LYS HG2 H 1 1.439 0.02 . 2 . . . . . 87 LYS HG1 . 27693 1 931 . 1 1 87 87 LYS HG3 H 1 1.439 0.02 . 2 . . . . . 87 LYS HG2 . 27693 1 932 . 1 1 87 87 LYS HD2 H 1 1.695 0.02 . 2 . . . . . 87 LYS HD1 . 27693 1 933 . 1 1 87 87 LYS HD3 H 1 1.695 0.02 . 2 . . . . . 87 LYS HD2 . 27693 1 934 . 1 1 87 87 LYS HE2 H 1 2.889 0.02 . 2 . . . . . 87 LYS HE1 . 27693 1 935 . 1 1 87 87 LYS HE3 H 1 3.002 0.02 . 2 . . . . . 87 LYS HE2 . 27693 1 936 . 1 1 87 87 LYS C C 13 176.182 0.3 . 1 . . . . . 87 LYS C . 27693 1 937 . 1 1 87 87 LYS CA C 13 56.604 0.3 . 1 . . . . . 87 LYS CA . 27693 1 938 . 1 1 87 87 LYS CB C 13 33.042 0.3 . 1 . . . . . 87 LYS CB . 27693 1 939 . 1 1 87 87 LYS CG C 13 24.766 0.3 . 1 . . . . . 87 LYS CG . 27693 1 940 . 1 1 87 87 LYS CD C 13 29.089 0.3 . 1 . . . . . 87 LYS CD . 27693 1 941 . 1 1 87 87 LYS CE C 13 42.222 0.3 . 1 . . . . . 87 LYS CE . 27693 1 942 . 1 1 87 87 LYS N N 15 122.358 0.3 . 1 . . . . . 87 LYS N . 27693 1 943 . 1 1 88 88 ASP H H 1 8.436 0.02 . 1 . . . . . 88 ASP HN . 27693 1 944 . 1 1 88 88 ASP HA H 1 4.741 0.02 . 1 . . . . . 88 ASP HA . 27693 1 945 . 1 1 88 88 ASP HB2 H 1 2.876 0.02 . 2 . . . . . 88 ASP HB1 . 27693 1 946 . 1 1 88 88 ASP HB3 H 1 2.993 0.02 . 2 . . . . . 88 ASP HB2 . 27693 1 947 . 1 1 88 88 ASP C C 13 174.836 0.3 . 1 . . . . . 88 ASP C . 27693 1 948 . 1 1 88 88 ASP CA C 13 52.968 0.3 . 1 . . . . . 88 ASP CA . 27693 1 949 . 1 1 88 88 ASP CB C 13 38.102 0.3 . 1 . . . . . 88 ASP CB . 27693 1 950 . 1 1 88 88 ASP N N 15 119.754 0.3 . 1 . . . . . 88 ASP N . 27693 1 951 . 1 1 89 89 MET H H 1 8.264 0.02 . 1 . . . . . 89 MET HN . 27693 1 952 . 1 1 89 89 MET HA H 1 4.565 0.02 . 1 . . . . . 89 MET HA . 27693 1 953 . 1 1 89 89 MET HB2 H 1 2.048 0.02 . 2 . . . . . 89 MET HB1 . 27693 1 954 . 1 1 89 89 MET HB3 H 1 2.212 0.02 . 2 . . . . . 89 MET HB2 . 27693 1 955 . 1 1 89 89 MET C C 13 177.849 0.3 . 1 . . . . . 89 MET C . 27693 1 956 . 1 1 89 89 MET CA C 13 54.635 0.3 . 1 . . . . . 89 MET CA . 27693 1 957 . 1 1 89 89 MET CB C 13 32.157 0.3 . 1 . . . . . 89 MET CB . 27693 1 958 . 1 1 89 89 MET CG C 13 30.911 0.3 . 1 . . . . . 89 MET CG . 27693 1 959 . 1 1 89 89 MET N N 15 120.981 0.3 . 1 . . . . . 89 MET N . 27693 1 stop_ save_