data_25454 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25454 _Entry.Title ; Solution structure of a bacterial chaperone ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-27 _Entry.Accession_date 2015-01-27 _Entry.Last_release_date 2016-01-04 _Entry.Original_release_date 2016-01-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Changwen Jin . . . 25454 2 Yunfei Hu . . . 25454 3 Jienv Ding . . . 25454 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' . 25454 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID dimer . 25454 protein . 25454 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25454 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 337 25454 '15N chemical shifts' 86 25454 '1H chemical shifts' 524 25454 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-01-04 . original BMRB . 25454 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MYJ 'BMRB Entry Tracking System' 25454 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25454 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26593705 _Citation.Full_citation . _Citation.Title ; HdeB chaperone activity is coupled to its intrinsic dynamic properties ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue . _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 16856 _Citation.Page_last 16856 _Citation.Year 2015 _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.Entry_ID _Citation_author.Citation_ID 1 Jienv Ding . . . 25454 1 2 Chengfeng Yang . . . 25454 1 3 Xiaogang Niu . . . 25454 1 4 Yunfei Hu . . . 25454 1 5 Changwen Jin . . . 25454 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25454 _Assembly.ID 1 _Assembly.Name 'bacterial chaperone' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $entity A . yes native no no . . . 25454 1 2 entity_2 1 $entity B . yes native no no . . . 25454 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_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_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 10 10 SG . 1 . 1 CYS 58 58 SG . . . . . . . . . . 25454 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25454 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ANESAKDMTCQEFIDLNPKA MTPVAWWMLHEETVYKGGDT VTLNETDLTQIPKVIEYCKK NPQKNLYTFKNQASNDLPN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9074.292 _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 1 ALA . 25454 1 2 2 ASN . 25454 1 3 3 GLU . 25454 1 4 4 SER . 25454 1 5 5 ALA . 25454 1 6 6 LYS . 25454 1 7 7 ASP . 25454 1 8 8 MET . 25454 1 9 9 THR . 25454 1 10 10 CYS . 25454 1 11 11 GLN . 25454 1 12 12 GLU . 25454 1 13 13 PHE . 25454 1 14 14 ILE . 25454 1 15 15 ASP . 25454 1 16 16 LEU . 25454 1 17 17 ASN . 25454 1 18 18 PRO . 25454 1 19 19 LYS . 25454 1 20 20 ALA . 25454 1 21 21 MET . 25454 1 22 22 THR . 25454 1 23 23 PRO . 25454 1 24 24 VAL . 25454 1 25 25 ALA . 25454 1 26 26 TRP . 25454 1 27 27 TRP . 25454 1 28 28 MET . 25454 1 29 29 LEU . 25454 1 30 30 HIS . 25454 1 31 31 GLU . 25454 1 32 32 GLU . 25454 1 33 33 THR . 25454 1 34 34 VAL . 25454 1 35 35 TYR . 25454 1 36 36 LYS . 25454 1 37 37 GLY . 25454 1 38 38 GLY . 25454 1 39 39 ASP . 25454 1 40 40 THR . 25454 1 41 41 VAL . 25454 1 42 42 THR . 25454 1 43 43 LEU . 25454 1 44 44 ASN . 25454 1 45 45 GLU . 25454 1 46 46 THR . 25454 1 47 47 ASP . 25454 1 48 48 LEU . 25454 1 49 49 THR . 25454 1 50 50 GLN . 25454 1 51 51 ILE . 25454 1 52 52 PRO . 25454 1 53 53 LYS . 25454 1 54 54 VAL . 25454 1 55 55 ILE . 25454 1 56 56 GLU . 25454 1 57 57 TYR . 25454 1 58 58 CYS . 25454 1 59 59 LYS . 25454 1 60 60 LYS . 25454 1 61 61 ASN . 25454 1 62 62 PRO . 25454 1 63 63 GLN . 25454 1 64 64 LYS . 25454 1 65 65 ASN . 25454 1 66 66 LEU . 25454 1 67 67 TYR . 25454 1 68 68 THR . 25454 1 69 69 PHE . 25454 1 70 70 LYS . 25454 1 71 71 ASN . 25454 1 72 72 GLN . 25454 1 73 73 ALA . 25454 1 74 74 SER . 25454 1 75 75 ASN . 25454 1 76 76 ASP . 25454 1 77 77 LEU . 25454 1 78 78 PRO . 25454 1 79 79 ASN . 25454 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 25454 1 . ASN 2 2 25454 1 . GLU 3 3 25454 1 . SER 4 4 25454 1 . ALA 5 5 25454 1 . LYS 6 6 25454 1 . ASP 7 7 25454 1 . MET 8 8 25454 1 . THR 9 9 25454 1 . CYS 10 10 25454 1 . GLN 11 11 25454 1 . GLU 12 12 25454 1 . PHE 13 13 25454 1 . ILE 14 14 25454 1 . ASP 15 15 25454 1 . LEU 16 16 25454 1 . ASN 17 17 25454 1 . PRO 18 18 25454 1 . LYS 19 19 25454 1 . ALA 20 20 25454 1 . MET 21 21 25454 1 . THR 22 22 25454 1 . PRO 23 23 25454 1 . VAL 24 24 25454 1 . ALA 25 25 25454 1 . TRP 26 26 25454 1 . TRP 27 27 25454 1 . MET 28 28 25454 1 . LEU 29 29 25454 1 . HIS 30 30 25454 1 . GLU 31 31 25454 1 . GLU 32 32 25454 1 . THR 33 33 25454 1 . VAL 34 34 25454 1 . TYR 35 35 25454 1 . LYS 36 36 25454 1 . GLY 37 37 25454 1 . GLY 38 38 25454 1 . ASP 39 39 25454 1 . THR 40 40 25454 1 . VAL 41 41 25454 1 . THR 42 42 25454 1 . LEU 43 43 25454 1 . ASN 44 44 25454 1 . GLU 45 45 25454 1 . THR 46 46 25454 1 . ASP 47 47 25454 1 . LEU 48 48 25454 1 . THR 49 49 25454 1 . GLN 50 50 25454 1 . ILE 51 51 25454 1 . PRO 52 52 25454 1 . LYS 53 53 25454 1 . VAL 54 54 25454 1 . ILE 55 55 25454 1 . GLU 56 56 25454 1 . TYR 57 57 25454 1 . CYS 58 58 25454 1 . LYS 59 59 25454 1 . LYS 60 60 25454 1 . ASN 61 61 25454 1 . PRO 62 62 25454 1 . GLN 63 63 25454 1 . LYS 64 64 25454 1 . ASN 65 65 25454 1 . LEU 66 66 25454 1 . TYR 67 67 25454 1 . THR 68 68 25454 1 . PHE 69 69 25454 1 . LYS 70 70 25454 1 . ASN 71 71 25454 1 . GLN 72 72 25454 1 . ALA 73 73 25454 1 . SER 74 74 25454 1 . ASN 75 75 25454 1 . ASP 76 76 25454 1 . LEU 77 77 25454 1 . PRO 78 78 25454 1 . ASN 79 79 25454 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 25454 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25454 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 25454 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-28a(+) . . . 25454 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25454 _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 entity_1 '[U-13C; U-15N]' . . 1 $entity . . . 2 3 mM . . . . 25454 1 2 entity_2 '[U-13C; U-15N]' . . 1 $entity . . . 2 3 mM . . . . 25454 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25454 1 4 'citric acid' 'natural abundance' . . . . . . 45 . . mM . . . . 25454 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25454 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25454 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25454 _Sample.ID 2 _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 entity_1 [U-15N] . . 1 $entity . . . 1 2 mM . . . . 25454 2 2 entity_2 [U-15N] . . 1 $entity . . . 1 2 mM . . . . 25454 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25454 2 4 'citric acid' 'natural abundance' . . . . . . 45 . . mM . . . . 25454 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25454 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25454 2 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 25454 _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' 0.17 . M 25454 1 pH 4.5 . pH 25454 1 pressure 1 . atm 25454 1 temperature 298 . K 25454 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25454 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25454 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25454 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25454 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25454 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25454 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 25454 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25454 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25454 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25454 _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 . 500 . . . 25454 1 2 spectrometer_2 Bruker Avance . 700 . . . 25454 1 3 spectrometer_3 Bruker Avance . 800 . . . 25454 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 25454 _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 . . . . . . . . . . . . . . . . 25454 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25454 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25454 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25454 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25454 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25454 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25454 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25454 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25454 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25454 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25454 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25454 1 13 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25454 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 25454 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144952 . . . . . . . . . 25454 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 25454 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132905 . . . . . . . . . 25454 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25454 _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' . . . 25454 1 2 '2D 1H-13C HSQC' . . . 25454 1 3 '2D 1H-13C HSQC aromatic' . . . 25454 1 4 '3D CBCA(CO)NH' . . . 25454 1 5 '3D HNCACB' . . . 25454 1 6 '3D HNCA' . . . 25454 1 7 '3D HN(CO)CA' . . . 25454 1 8 '3D HNCO' . . . 25454 1 9 '3D HCCH-COSY' . . . 25454 1 10 '3D 1H-15N NOESY' . . . 25454 1 11 '3D 1H-13C NOESY' . . . 25454 1 12 '3D 1H-13C NOESY aromatic' . . . 25454 1 13 '3D (H)CCH-TOCSY' . . . 25454 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.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 4.121 0.01 . 1 . . . A 1 ALA HA . 25454 1 2 . 1 1 1 1 ALA HB1 H 1 1.527 0.01 . 1 . . . A 1 ALA MB . 25454 1 3 . 1 1 1 1 ALA HB2 H 1 1.527 0.01 . 1 . . . A 1 ALA MB . 25454 1 4 . 1 1 1 1 ALA HB3 H 1 1.527 0.01 . 1 . . . A 1 ALA MB . 25454 1 5 . 1 1 1 1 ALA C C 13 173.711 0.40 . 1 . . . A 1 ALA C . 25454 1 6 . 1 1 1 1 ALA CA C 13 52.050 0.40 . 1 . . . A 1 ALA CA . 25454 1 7 . 1 1 1 1 ALA CB C 13 19.530 0.40 . 1 . . . A 1 ALA CB . 25454 1 8 . 1 1 2 2 ASN H H 1 8.869 0.01 . 1 . . . A 2 ASN H . 25454 1 9 . 1 1 2 2 ASN HA H 1 4.660 0.01 . 1 . . . A 2 ASN HA . 25454 1 10 . 1 1 2 2 ASN HB2 H 1 2.863 0.01 . 2 . . . A 2 ASN HB2 . 25454 1 11 . 1 1 2 2 ASN HB3 H 1 2.771 0.01 . 2 . . . A 2 ASN HB3 . 25454 1 12 . 1 1 2 2 ASN HD21 H 1 6.967 0.01 . 2 . . . A 2 ASN HD21 . 25454 1 13 . 1 1 2 2 ASN HD22 H 1 7.650 0.01 . 2 . . . A 2 ASN HD22 . 25454 1 14 . 1 1 2 2 ASN C C 13 174.884 0.40 . 1 . . . A 2 ASN C . 25454 1 15 . 1 1 2 2 ASN CA C 13 53.730 0.40 . 1 . . . A 2 ASN CA . 25454 1 16 . 1 1 2 2 ASN CB C 13 38.500 0.40 . 1 . . . A 2 ASN CB . 25454 1 17 . 1 1 2 2 ASN N N 15 118.440 0.40 . 1 . . . A 2 ASN N . 25454 1 18 . 1 1 2 2 ASN ND2 N 15 113.930 0.40 . 1 . . . A 2 ASN ND2 . 25454 1 19 . 1 1 3 3 GLU H H 1 8.560 0.01 . 1 . . . A 3 GLU H . 25454 1 20 . 1 1 3 3 GLU HA H 1 4.416 0.01 . 1 . . . A 3 GLU HA . 25454 1 21 . 1 1 3 3 GLU HB2 H 1 2.037 0.01 . 2 . . . A 3 GLU HB2 . 25454 1 22 . 1 1 3 3 GLU HB3 H 1 1.836 0.01 . 2 . . . A 3 GLU HB3 . 25454 1 23 . 1 1 3 3 GLU HG2 H 1 2.320 0.01 . 2 . . . A 3 GLU HG2 . 25454 1 24 . 1 1 3 3 GLU C C 13 175.916 0.40 . 1 . . . A 3 GLU C . 25454 1 25 . 1 1 3 3 GLU CA C 13 56.300 0.40 . 1 . . . A 3 GLU CA . 25454 1 26 . 1 1 3 3 GLU CB C 13 29.810 0.40 . 1 . . . A 3 GLU CB . 25454 1 27 . 1 1 3 3 GLU CG C 13 35.090 0.40 . 1 . . . A 3 GLU CG . 25454 1 28 . 1 1 3 3 GLU N N 15 121.390 0.40 . 1 . . . A 3 GLU N . 25454 1 29 . 1 1 4 4 SER H H 1 8.802 0.01 . 1 . . . A 4 SER H . 25454 1 30 . 1 1 4 4 SER HA H 1 4.716 0.01 . 1 . . . A 4 SER HA . 25454 1 31 . 1 1 4 4 SER HB2 H 1 3.993 0.01 . 2 . . . A 4 SER HB2 . 25454 1 32 . 1 1 4 4 SER HB3 H 1 3.860 0.01 . 2 . . . A 4 SER HB3 . 25454 1 33 . 1 1 4 4 SER C C 13 175.686 0.40 . 1 . . . A 4 SER C . 25454 1 34 . 1 1 4 4 SER CA C 13 57.890 0.40 . 1 . . . A 4 SER CA . 25454 1 35 . 1 1 4 4 SER CB C 13 65.080 0.40 . 1 . . . A 4 SER CB . 25454 1 36 . 1 1 4 4 SER N N 15 118.190 0.40 . 1 . . . A 4 SER N . 25454 1 37 . 1 1 5 5 ALA H H 1 8.992 0.01 . 1 . . . A 5 ALA H . 25454 1 38 . 1 1 5 5 ALA HA H 1 4.142 0.01 . 1 . . . A 5 ALA HA . 25454 1 39 . 1 1 5 5 ALA HB1 H 1 1.682 0.01 . 1 . . . A 5 ALA MB . 25454 1 40 . 1 1 5 5 ALA HB2 H 1 1.682 0.01 . 1 . . . A 5 ALA MB . 25454 1 41 . 1 1 5 5 ALA HB3 H 1 1.682 0.01 . 1 . . . A 5 ALA MB . 25454 1 42 . 1 1 5 5 ALA C C 13 179.112 0.40 . 1 . . . A 5 ALA C . 25454 1 43 . 1 1 5 5 ALA CA C 13 55.880 0.40 . 1 . . . A 5 ALA CA . 25454 1 44 . 1 1 5 5 ALA CB C 13 18.110 0.40 . 1 . . . A 5 ALA CB . 25454 1 45 . 1 1 5 5 ALA N N 15 128.990 0.40 . 1 . . . A 5 ALA N . 25454 1 46 . 1 1 6 6 LYS H H 1 7.776 0.01 . 1 . . . A 6 LYS H . 25454 1 47 . 1 1 6 6 LYS HA H 1 3.221 0.01 . 1 . . . A 6 LYS HA . 25454 1 48 . 1 1 6 6 LYS HB2 H 1 1.395 0.01 . 2 . . . A 6 LYS HB2 . 25454 1 49 . 1 1 6 6 LYS HG2 H 1 0.780 0.01 . 2 . . . A 6 LYS HG2 . 25454 1 50 . 1 1 6 6 LYS HG3 H 1 1.088 0.01 . 2 . . . A 6 LYS HG3 . 25454 1 51 . 1 1 6 6 LYS HD2 H 1 1.415 0.01 . 2 . . . A 6 LYS HD2 . 25454 1 52 . 1 1 6 6 LYS HE2 H 1 2.849 0.01 . 2 . . . A 6 LYS HE2 . 25454 1 53 . 1 1 6 6 LYS C C 13 177.448 0.40 . 1 . . . A 6 LYS C . 25454 1 54 . 1 1 6 6 LYS CA C 13 57.740 0.40 . 1 . . . A 6 LYS CA . 25454 1 55 . 1 1 6 6 LYS CB C 13 31.830 0.40 . 1 . . . A 6 LYS CB . 25454 1 56 . 1 1 6 6 LYS CG C 13 24.900 0.40 . 1 . . . A 6 LYS CG . 25454 1 57 . 1 1 6 6 LYS CD C 13 29.298 0.40 . 1 . . . A 6 LYS CD . 25454 1 58 . 1 1 6 6 LYS CE C 13 42.094 0.40 . 1 . . . A 6 LYS CE . 25454 1 59 . 1 1 6 6 LYS N N 15 114.810 0.40 . 1 . . . A 6 LYS N . 25454 1 60 . 1 1 7 7 ASP H H 1 7.744 0.01 . 1 . . . A 7 ASP H . 25454 1 61 . 1 1 7 7 ASP HA H 1 4.748 0.01 . 1 . . . A 7 ASP HA . 25454 1 62 . 1 1 7 7 ASP HB2 H 1 2.950 0.01 . 2 . . . A 7 ASP HB2 . 25454 1 63 . 1 1 7 7 ASP HB3 H 1 2.622 0.01 . 2 . . . A 7 ASP HB3 . 25454 1 64 . 1 1 7 7 ASP C C 13 176.254 0.40 . 1 . . . A 7 ASP C . 25454 1 65 . 1 1 7 7 ASP CA C 13 53.800 0.40 . 1 . . . A 7 ASP CA . 25454 1 66 . 1 1 7 7 ASP CB C 13 41.560 0.40 . 1 . . . A 7 ASP CB . 25454 1 67 . 1 1 7 7 ASP N N 15 119.190 0.40 . 1 . . . A 7 ASP N . 25454 1 68 . 1 1 8 8 MET H H 1 7.925 0.01 . 1 . . . A 8 MET H . 25454 1 69 . 1 1 8 8 MET HA H 1 4.502 0.01 . 1 . . . A 8 MET HA . 25454 1 70 . 1 1 8 8 MET HB2 H 1 2.245 0.01 . 2 . . . A 8 MET HB2 . 25454 1 71 . 1 1 8 8 MET HB3 H 1 2.162 0.01 . 2 . . . A 8 MET HB3 . 25454 1 72 . 1 1 8 8 MET HG2 H 1 2.512 0.01 . 2 . . . A 8 MET HG2 . 25454 1 73 . 1 1 8 8 MET HG3 H 1 3.107 0.01 . 2 . . . A 8 MET HG3 . 25454 1 74 . 1 1 8 8 MET HE1 H 1 2.008 0.01 . 1 . . . A 8 MET ME . 25454 1 75 . 1 1 8 8 MET HE2 H 1 2.008 0.01 . 1 . . . A 8 MET ME . 25454 1 76 . 1 1 8 8 MET HE3 H 1 2.008 0.01 . 1 . . . A 8 MET ME . 25454 1 77 . 1 1 8 8 MET C C 13 176.932 0.40 . 1 . . . A 8 MET C . 25454 1 78 . 1 1 8 8 MET CA C 13 56.390 0.40 . 1 . . . A 8 MET CA . 25454 1 79 . 1 1 8 8 MET CB C 13 35.300 0.40 . 1 . . . A 8 MET CB . 25454 1 80 . 1 1 8 8 MET CG C 13 32.824 0.40 . 1 . . . A 8 MET CG . 25454 1 81 . 1 1 8 8 MET CE C 13 17.518 0.40 . 1 . . . A 8 MET CE . 25454 1 82 . 1 1 8 8 MET N N 15 122.540 0.40 . 1 . . . A 8 MET N . 25454 1 83 . 1 1 9 9 THR H H 1 9.927 0.01 . 1 . . . A 9 THR H . 25454 1 84 . 1 1 9 9 THR HA H 1 4.794 0.01 . 1 . . . A 9 THR HA . 25454 1 85 . 1 1 9 9 THR HB H 1 4.673 0.01 . 1 . . . A 9 THR HB . 25454 1 86 . 1 1 9 9 THR HG21 H 1 1.455 0.01 . 1 . . . A 9 THR MG . 25454 1 87 . 1 1 9 9 THR HG22 H 1 1.455 0.01 . 1 . . . A 9 THR MG . 25454 1 88 . 1 1 9 9 THR HG23 H 1 1.455 0.01 . 1 . . . A 9 THR MG . 25454 1 89 . 1 1 9 9 THR C C 13 176.198 0.40 . 1 . . . A 9 THR C . 25454 1 90 . 1 1 9 9 THR CA C 13 61.960 0.40 . 1 . . . A 9 THR CA . 25454 1 91 . 1 1 9 9 THR CB C 13 72.200 0.40 . 1 . . . A 9 THR CB . 25454 1 92 . 1 1 9 9 THR CG2 C 13 22.296 0.40 . 1 . . . A 9 THR CG2 . 25454 1 93 . 1 1 9 9 THR N N 15 121.410 0.40 . 1 . . . A 9 THR N . 25454 1 94 . 1 1 10 10 CYS H H 1 9.765 0.01 . 1 . . . A 10 CYS H . 25454 1 95 . 1 1 10 10 CYS HA H 1 4.685 0.01 . 1 . . . A 10 CYS HA . 25454 1 96 . 1 1 10 10 CYS HB2 H 1 3.571 0.01 . 2 . . . A 10 CYS HB2 . 25454 1 97 . 1 1 10 10 CYS HB3 H 1 2.985 0.01 . 2 . . . A 10 CYS HB3 . 25454 1 98 . 1 1 10 10 CYS C C 13 177.324 0.40 . 1 . . . A 10 CYS C . 25454 1 99 . 1 1 10 10 CYS CA C 13 56.970 0.40 . 1 . . . A 10 CYS CA . 25454 1 100 . 1 1 10 10 CYS CB C 13 32.440 0.40 . 1 . . . A 10 CYS CB . 25454 1 101 . 1 1 10 10 CYS N N 15 121.150 0.40 . 1 . . . A 10 CYS N . 25454 1 102 . 1 1 11 11 GLN H H 1 8.583 0.01 . 1 . . . A 11 GLN H . 25454 1 103 . 1 1 11 11 GLN HA H 1 3.894 0.01 . 1 . . . A 11 GLN HA . 25454 1 104 . 1 1 11 11 GLN HB2 H 1 2.231 0.01 . 2 . . . A 11 GLN HB2 . 25454 1 105 . 1 1 11 11 GLN HB3 H 1 1.916 0.01 . 2 . . . A 11 GLN HB3 . 25454 1 106 . 1 1 11 11 GLN HG2 H 1 2.281 0.01 . 2 . . . A 11 GLN HG2 . 25454 1 107 . 1 1 11 11 GLN HG3 H 1 2.246 0.01 . 2 . . . A 11 GLN HG3 . 25454 1 108 . 1 1 11 11 GLN HE21 H 1 6.718 0.01 . 2 . . . A 11 GLN HE21 . 25454 1 109 . 1 1 11 11 GLN HE22 H 1 7.727 0.01 . 2 . . . A 11 GLN HE22 . 25454 1 110 . 1 1 11 11 GLN C C 13 176.902 0.40 . 1 . . . A 11 GLN C . 25454 1 111 . 1 1 11 11 GLN CA C 13 58.680 0.40 . 1 . . . A 11 GLN CA . 25454 1 112 . 1 1 11 11 GLN CB C 13 28.900 0.40 . 1 . . . A 11 GLN CB . 25454 1 113 . 1 1 11 11 GLN CG C 13 33.227 0.40 . 1 . . . A 11 GLN CG . 25454 1 114 . 1 1 11 11 GLN N N 15 121.360 0.40 . 1 . . . A 11 GLN N . 25454 1 115 . 1 1 11 11 GLN NE2 N 15 116.889 0.40 . 1 . . . A 11 GLN NE2 . 25454 1 116 . 1 1 12 12 GLU H H 1 7.867 0.01 . 1 . . . A 12 GLU H . 25454 1 117 . 1 1 12 12 GLU HA H 1 3.983 0.01 . 1 . . . A 12 GLU HA . 25454 1 118 . 1 1 12 12 GLU HB2 H 1 2.590 0.01 . 2 . . . A 12 GLU HB2 . 25454 1 119 . 1 1 12 12 GLU HB3 H 1 1.730 0.01 . 2 . . . A 12 GLU HB3 . 25454 1 120 . 1 1 12 12 GLU HG2 H 1 2.100 0.01 . 2 . . . A 12 GLU HG2 . 25454 1 121 . 1 1 12 12 GLU HG3 H 1 2.555 0.01 . 2 . . . A 12 GLU HG3 . 25454 1 122 . 1 1 12 12 GLU C C 13 179.763 0.40 . 1 . . . A 12 GLU C . 25454 1 123 . 1 1 12 12 GLU CA C 13 59.528 0.40 . 1 . . . A 12 GLU CA . 25454 1 124 . 1 1 12 12 GLU CB C 13 31.830 0.40 . 1 . . . A 12 GLU CB . 25454 1 125 . 1 1 12 12 GLU CG C 13 38.747 0.40 . 1 . . . A 12 GLU CG . 25454 1 126 . 1 1 12 12 GLU N N 15 117.090 0.40 . 1 . . . A 12 GLU N . 25454 1 127 . 1 1 13 13 PHE H H 1 8.182 0.01 . 1 . . . A 13 PHE H . 25454 1 128 . 1 1 13 13 PHE HA H 1 4.269 0.01 . 1 . . . A 13 PHE HA . 25454 1 129 . 1 1 13 13 PHE HB2 H 1 3.593 0.01 . 2 . . . A 13 PHE HB2 . 25454 1 130 . 1 1 13 13 PHE HB3 H 1 3.119 0.01 . 2 . . . A 13 PHE HB3 . 25454 1 131 . 1 1 13 13 PHE HD1 H 1 7.110 0.01 . 3 . . . A 13 PHE HD1 . 25454 1 132 . 1 1 13 13 PHE HE1 H 1 7.184 0.01 . 3 . . . A 13 PHE HE1 . 25454 1 133 . 1 1 13 13 PHE HZ H 1 6.926 0.01 . 1 . . . A 13 PHE HZ . 25454 1 134 . 1 1 13 13 PHE C C 13 176.432 0.40 . 1 . . . A 13 PHE C . 25454 1 135 . 1 1 13 13 PHE CA C 13 61.150 0.40 . 1 . . . A 13 PHE CA . 25454 1 136 . 1 1 13 13 PHE CB C 13 39.520 0.40 . 1 . . . A 13 PHE CB . 25454 1 137 . 1 1 13 13 PHE CD1 C 13 132.462 0.40 . 3 . . . A 13 PHE CD1 . 25454 1 138 . 1 1 13 13 PHE CE1 C 13 130.577 0.40 . 3 . . . A 13 PHE CE1 . 25454 1 139 . 1 1 13 13 PHE CZ C 13 128.640 0.40 . 1 . . . A 13 PHE CZ . 25454 1 140 . 1 1 13 13 PHE N N 15 119.630 0.40 . 1 . . . A 13 PHE N . 25454 1 141 . 1 1 14 14 ILE H H 1 8.191 0.01 . 1 . . . A 14 ILE H . 25454 1 142 . 1 1 14 14 ILE HA H 1 3.761 0.01 . 1 . . . A 14 ILE HA . 25454 1 143 . 1 1 14 14 ILE HB H 1 2.122 0.01 . 1 . . . A 14 ILE HB . 25454 1 144 . 1 1 14 14 ILE HG12 H 1 1.700 0.01 . 2 . . . A 14 ILE HG12 . 25454 1 145 . 1 1 14 14 ILE HG13 H 1 1.337 0.01 . 2 . . . A 14 ILE HG13 . 25454 1 146 . 1 1 14 14 ILE HG21 H 1 0.982 0.01 . 1 . . . A 14 ILE MG . 25454 1 147 . 1 1 14 14 ILE HG22 H 1 0.982 0.01 . 1 . . . A 14 ILE MG . 25454 1 148 . 1 1 14 14 ILE HG23 H 1 0.982 0.01 . 1 . . . A 14 ILE MG . 25454 1 149 . 1 1 14 14 ILE HD11 H 1 0.838 0.01 . 1 . . . A 14 ILE MD . 25454 1 150 . 1 1 14 14 ILE HD12 H 1 0.838 0.01 . 1 . . . A 14 ILE MD . 25454 1 151 . 1 1 14 14 ILE HD13 H 1 0.838 0.01 . 1 . . . A 14 ILE MD . 25454 1 152 . 1 1 14 14 ILE C C 13 177.089 0.40 . 1 . . . A 14 ILE C . 25454 1 153 . 1 1 14 14 ILE CA C 13 63.030 0.40 . 1 . . . A 14 ILE CA . 25454 1 154 . 1 1 14 14 ILE CB C 13 36.740 0.40 . 1 . . . A 14 ILE CB . 25454 1 155 . 1 1 14 14 ILE CG1 C 13 26.527 0.40 . 1 . . . A 14 ILE CG1 . 25454 1 156 . 1 1 14 14 ILE CG2 C 13 18.715 0.40 . 1 . . . A 14 ILE CG2 . 25454 1 157 . 1 1 14 14 ILE CD1 C 13 12.778 0.40 . 1 . . . A 14 ILE CD1 . 25454 1 158 . 1 1 14 14 ILE N N 15 114.180 0.40 . 1 . . . A 14 ILE N . 25454 1 159 . 1 1 15 15 ASP H H 1 7.478 0.01 . 1 . . . A 15 ASP H . 25454 1 160 . 1 1 15 15 ASP HA H 1 4.716 0.01 . 1 . . . A 15 ASP HA . 25454 1 161 . 1 1 15 15 ASP HB2 H 1 2.921 0.01 . 2 . . . A 15 ASP HB2 . 25454 1 162 . 1 1 15 15 ASP HB3 H 1 2.677 0.01 . 2 . . . A 15 ASP HB3 . 25454 1 163 . 1 1 15 15 ASP C C 13 174.697 0.40 . 1 . . . A 15 ASP C . 25454 1 164 . 1 1 15 15 ASP CA C 13 54.080 0.40 . 1 . . . A 15 ASP CA . 25454 1 165 . 1 1 15 15 ASP CB C 13 40.810 0.40 . 1 . . . A 15 ASP CB . 25454 1 166 . 1 1 15 15 ASP N N 15 120.260 0.40 . 1 . . . A 15 ASP N . 25454 1 167 . 1 1 16 16 LEU H H 1 7.226 0.01 . 1 . . . A 16 LEU H . 25454 1 168 . 1 1 16 16 LEU HA H 1 4.067 0.01 . 1 . . . A 16 LEU HA . 25454 1 169 . 1 1 16 16 LEU HB2 H 1 1.658 0.01 . 2 . . . A 16 LEU HB2 . 25454 1 170 . 1 1 16 16 LEU HB3 H 1 1.249 0.01 . 2 . . . A 16 LEU HB3 . 25454 1 171 . 1 1 16 16 LEU HG H 1 2.459 0.01 . 1 . . . A 16 LEU HG . 25454 1 172 . 1 1 16 16 LEU HD11 H 1 0.854 0.01 . 2 . . . A 16 LEU MD1 . 25454 1 173 . 1 1 16 16 LEU HD12 H 1 0.854 0.01 . 2 . . . A 16 LEU MD1 . 25454 1 174 . 1 1 16 16 LEU HD13 H 1 0.854 0.01 . 2 . . . A 16 LEU MD1 . 25454 1 175 . 1 1 16 16 LEU HD21 H 1 0.815 0.01 . 2 . . . A 16 LEU MD2 . 25454 1 176 . 1 1 16 16 LEU HD22 H 1 0.815 0.01 . 2 . . . A 16 LEU MD2 . 25454 1 177 . 1 1 16 16 LEU HD23 H 1 0.815 0.01 . 2 . . . A 16 LEU MD2 . 25454 1 178 . 1 1 16 16 LEU C C 13 176.710 0.40 . 1 . . . A 16 LEU C . 25454 1 179 . 1 1 16 16 LEU CA C 13 55.028 0.40 . 1 . . . A 16 LEU CA . 25454 1 180 . 1 1 16 16 LEU CB C 13 43.370 0.40 . 1 . . . A 16 LEU CB . 25454 1 181 . 1 1 16 16 LEU CG C 13 25.827 0.40 . 1 . . . A 16 LEU CG . 25454 1 182 . 1 1 16 16 LEU CD1 C 13 24.531 0.40 . 2 . . . A 16 LEU CD1 . 25454 1 183 . 1 1 16 16 LEU CD2 C 13 27.000 0.40 . 2 . . . A 16 LEU CD2 . 25454 1 184 . 1 1 16 16 LEU N N 15 122.985 0.40 . 1 . . . A 16 LEU N . 25454 1 185 . 1 1 17 17 ASN H H 1 7.265 0.01 . 1 . . . A 17 ASN H . 25454 1 186 . 1 1 17 17 ASN HA H 1 4.634 0.01 . 1 . . . A 17 ASN HA . 25454 1 187 . 1 1 17 17 ASN HB2 H 1 2.858 0.01 . 2 . . . A 17 ASN HB2 . 25454 1 188 . 1 1 17 17 ASN HB3 H 1 2.411 0.01 . 2 . . . A 17 ASN HB3 . 25454 1 189 . 1 1 17 17 ASN HD21 H 1 8.247 0.01 . 2 . . . A 17 ASN HD21 . 25454 1 190 . 1 1 17 17 ASN HD22 H 1 7.477 0.01 . 2 . . . A 17 ASN HD22 . 25454 1 191 . 1 1 17 17 ASN CA C 13 52.048 0.40 . 1 . . . A 17 ASN CA . 25454 1 192 . 1 1 17 17 ASN CB C 13 39.480 0.40 . 1 . . . A 17 ASN CB . 25454 1 193 . 1 1 17 17 ASN N N 15 119.620 0.40 . 1 . . . A 17 ASN N . 25454 1 194 . 1 1 17 17 ASN ND2 N 15 114.654 0.40 . 1 . . . A 17 ASN ND2 . 25454 1 195 . 1 1 18 18 PRO HA H 1 4.137 0.01 . 1 . . . A 18 PRO HA . 25454 1 196 . 1 1 18 18 PRO HB2 H 1 2.425 0.01 . 2 . . . A 18 PRO HB2 . 25454 1 197 . 1 1 18 18 PRO HB3 H 1 1.925 0.01 . 2 . . . A 18 PRO HB3 . 25454 1 198 . 1 1 18 18 PRO HG2 H 1 2.027 0.01 . 2 . . . A 18 PRO HG2 . 25454 1 199 . 1 1 18 18 PRO HG3 H 1 2.098 0.01 . 2 . . . A 18 PRO HG3 . 25454 1 200 . 1 1 18 18 PRO HD2 H 1 3.943 0.01 . 2 . . . A 18 PRO HD2 . 25454 1 201 . 1 1 18 18 PRO HD3 H 1 3.753 0.01 . 2 . . . A 18 PRO HD3 . 25454 1 202 . 1 1 18 18 PRO C C 13 179.247 0.40 . 1 . . . A 18 PRO C . 25454 1 203 . 1 1 18 18 PRO CA C 13 65.370 0.40 . 1 . . . A 18 PRO CA . 25454 1 204 . 1 1 18 18 PRO CB C 13 32.610 0.40 . 1 . . . A 18 PRO CB . 25454 1 205 . 1 1 18 18 PRO CG C 13 27.671 0.40 . 1 . . . A 18 PRO CG . 25454 1 206 . 1 1 18 18 PRO CD C 13 51.267 0.40 . 1 . . . A 18 PRO CD . 25454 1 207 . 1 1 19 19 LYS H H 1 8.445 0.01 . 1 . . . A 19 LYS H . 25454 1 208 . 1 1 19 19 LYS HA H 1 3.856 0.01 . 1 . . . A 19 LYS HA . 25454 1 209 . 1 1 19 19 LYS HB2 H 1 1.717 0.01 . 2 . . . A 19 LYS HB2 . 25454 1 210 . 1 1 19 19 LYS HB3 H 1 1.258 0.01 . 2 . . . A 19 LYS HB3 . 25454 1 211 . 1 1 19 19 LYS HG2 H 1 1.197 0.01 . 2 . . . A 19 LYS HG2 . 25454 1 212 . 1 1 19 19 LYS HG3 H 1 1.616 0.01 . 2 . . . A 19 LYS HG3 . 25454 1 213 . 1 1 19 19 LYS HD2 H 1 1.601 0.01 . 2 . . . A 19 LYS HD2 . 25454 1 214 . 1 1 19 19 LYS HD3 H 1 1.472 0.01 . 2 . . . A 19 LYS HD3 . 25454 1 215 . 1 1 19 19 LYS HE2 H 1 3.084 0.01 . 2 . . . A 19 LYS HE2 . 25454 1 216 . 1 1 19 19 LYS C C 13 176.995 0.40 . 1 . . . A 19 LYS C . 25454 1 217 . 1 1 19 19 LYS CA C 13 59.080 0.40 . 1 . . . A 19 LYS CA . 25454 1 218 . 1 1 19 19 LYS CB C 13 34.940 0.40 . 1 . . . A 19 LYS CB . 25454 1 219 . 1 1 19 19 LYS CG C 13 26.430 0.40 . 1 . . . A 19 LYS CG . 25454 1 220 . 1 1 19 19 LYS CD C 13 30.364 0.40 . 1 . . . A 19 LYS CD . 25454 1 221 . 1 1 19 19 LYS CE C 13 42.174 0.40 . 1 . . . A 19 LYS CE . 25454 1 222 . 1 1 19 19 LYS N N 15 116.450 0.40 . 1 . . . A 19 LYS N . 25454 1 223 . 1 1 20 20 ALA H H 1 8.400 0.01 . 1 . . . A 20 ALA H . 25454 1 224 . 1 1 20 20 ALA HA H 1 4.255 0.01 . 1 . . . A 20 ALA HA . 25454 1 225 . 1 1 20 20 ALA HB1 H 1 1.462 0.01 . 1 . . . A 20 ALA MB . 25454 1 226 . 1 1 20 20 ALA HB2 H 1 1.462 0.01 . 1 . . . A 20 ALA MB . 25454 1 227 . 1 1 20 20 ALA HB3 H 1 1.462 0.01 . 1 . . . A 20 ALA MB . 25454 1 228 . 1 1 20 20 ALA C C 13 177.511 0.40 . 1 . . . A 20 ALA C . 25454 1 229 . 1 1 20 20 ALA CA C 13 51.640 0.40 . 1 . . . A 20 ALA CA . 25454 1 230 . 1 1 20 20 ALA CB C 13 21.660 0.40 . 1 . . . A 20 ALA CB . 25454 1 231 . 1 1 20 20 ALA N N 15 116.170 0.40 . 1 . . . A 20 ALA N . 25454 1 232 . 1 1 21 21 MET H H 1 7.206 0.01 . 1 . . . A 21 MET H . 25454 1 233 . 1 1 21 21 MET HA H 1 3.645 0.01 . 1 . . . A 21 MET HA . 25454 1 234 . 1 1 21 21 MET HB2 H 1 1.841 0.01 . 2 . . . A 21 MET HB2 . 25454 1 235 . 1 1 21 21 MET HB3 H 1 1.928 0.01 . 2 . . . A 21 MET HB3 . 25454 1 236 . 1 1 21 21 MET HG2 H 1 2.335 0.01 . 2 . . . A 21 MET HG2 . 25454 1 237 . 1 1 21 21 MET HG3 H 1 1.740 0.01 . 2 . . . A 21 MET HG3 . 25454 1 238 . 1 1 21 21 MET HE1 H 1 1.786 0.01 . 1 . . . A 21 MET ME . 25454 1 239 . 1 1 21 21 MET HE2 H 1 1.786 0.01 . 1 . . . A 21 MET ME . 25454 1 240 . 1 1 21 21 MET HE3 H 1 1.786 0.01 . 1 . . . A 21 MET ME . 25454 1 241 . 1 1 21 21 MET C C 13 177.511 0.40 . 1 . . . A 21 MET C . 25454 1 242 . 1 1 21 21 MET CA C 13 61.418 0.40 . 1 . . . A 21 MET CA . 25454 1 243 . 1 1 21 21 MET CB C 13 33.220 0.40 . 1 . . . A 21 MET CB . 25454 1 244 . 1 1 21 21 MET CG C 13 33.778 0.40 . 1 . . . A 21 MET CG . 25454 1 245 . 1 1 21 21 MET CE C 13 18.028 0.40 . 1 . . . A 21 MET CE . 25454 1 246 . 1 1 21 21 MET N N 15 117.850 0.40 . 1 . . . A 21 MET N . 25454 1 247 . 1 1 22 22 THR H H 1 8.695 0.01 . 1 . . . A 22 THR H . 25454 1 248 . 1 1 22 22 THR HA H 1 4.115 0.01 . 1 . . . A 22 THR HA . 25454 1 249 . 1 1 22 22 THR HB H 1 4.424 0.01 . 1 . . . A 22 THR HB . 25454 1 250 . 1 1 22 22 THR HG21 H 1 0.973 0.01 . 1 . . . A 22 THR MG . 25454 1 251 . 1 1 22 22 THR HG22 H 1 0.973 0.01 . 1 . . . A 22 THR MG . 25454 1 252 . 1 1 22 22 THR HG23 H 1 0.973 0.01 . 1 . . . A 22 THR MG . 25454 1 253 . 1 1 22 22 THR CA C 13 69.550 0.40 . 1 . . . A 22 THR CA . 25454 1 254 . 1 1 22 22 THR CB C 13 65.700 0.40 . 1 . . . A 22 THR CB . 25454 1 255 . 1 1 22 22 THR CG2 C 13 22.355 0.40 . 1 . . . A 22 THR CG2 . 25454 1 256 . 1 1 22 22 THR N N 15 114.690 0.40 . 1 . . . A 22 THR N . 25454 1 257 . 1 1 23 23 PRO HA H 1 3.550 0.01 . 1 . . . A 23 PRO HA . 25454 1 258 . 1 1 23 23 PRO HB2 H 1 2.120 0.01 . 2 . . . A 23 PRO HB2 . 25454 1 259 . 1 1 23 23 PRO HB3 H 1 1.627 0.01 . 2 . . . A 23 PRO HB3 . 25454 1 260 . 1 1 23 23 PRO HG2 H 1 1.604 0.01 . 2 . . . A 23 PRO HG2 . 25454 1 261 . 1 1 23 23 PRO HG3 H 1 2.131 0.01 . 2 . . . A 23 PRO HG3 . 25454 1 262 . 1 1 23 23 PRO HD2 H 1 3.203 0.01 . 2 . . . A 23 PRO HD2 . 25454 1 263 . 1 1 23 23 PRO HD3 H 1 3.574 0.01 . 2 . . . A 23 PRO HD3 . 25454 1 264 . 1 1 23 23 PRO C C 13 178.637 0.40 . 1 . . . A 23 PRO C . 25454 1 265 . 1 1 23 23 PRO CA C 13 65.770 0.40 . 1 . . . A 23 PRO CA . 25454 1 266 . 1 1 23 23 PRO CB C 13 31.182 0.40 . 1 . . . A 23 PRO CB . 25454 1 267 . 1 1 23 23 PRO CG C 13 27.990 0.40 . 1 . . . A 23 PRO CG . 25454 1 268 . 1 1 23 23 PRO CD C 13 48.953 0.40 . 1 . . . A 23 PRO CD . 25454 1 269 . 1 1 24 24 VAL H H 1 7.441 0.01 . 1 . . . A 24 VAL H . 25454 1 270 . 1 1 24 24 VAL HA H 1 3.675 0.01 . 1 . . . A 24 VAL HA . 25454 1 271 . 1 1 24 24 VAL HB H 1 2.258 0.01 . 1 . . . A 24 VAL HB . 25454 1 272 . 1 1 24 24 VAL HG11 H 1 1.236 0.01 . 2 . . . A 24 VAL MG1 . 25454 1 273 . 1 1 24 24 VAL HG12 H 1 1.236 0.01 . 2 . . . A 24 VAL MG1 . 25454 1 274 . 1 1 24 24 VAL HG13 H 1 1.236 0.01 . 2 . . . A 24 VAL MG1 . 25454 1 275 . 1 1 24 24 VAL HG21 H 1 1.111 0.01 . 2 . . . A 24 VAL MG2 . 25454 1 276 . 1 1 24 24 VAL HG22 H 1 1.111 0.01 . 2 . . . A 24 VAL MG2 . 25454 1 277 . 1 1 24 24 VAL HG23 H 1 1.111 0.01 . 2 . . . A 24 VAL MG2 . 25454 1 278 . 1 1 24 24 VAL C C 13 177.464 0.40 . 1 . . . A 24 VAL C . 25454 1 279 . 1 1 24 24 VAL CA C 13 67.490 0.40 . 1 . . . A 24 VAL CA . 25454 1 280 . 1 1 24 24 VAL CB C 13 31.970 0.40 . 1 . . . A 24 VAL CB . 25454 1 281 . 1 1 24 24 VAL CG1 C 13 24.690 0.40 . 2 . . . A 24 VAL CG1 . 25454 1 282 . 1 1 24 24 VAL CG2 C 13 22.747 0.40 . 2 . . . A 24 VAL CG2 . 25454 1 283 . 1 1 24 24 VAL N N 15 115.820 0.40 . 1 . . . A 24 VAL N . 25454 1 284 . 1 1 25 25 ALA H H 1 8.805 0.01 . 1 . . . A 25 ALA H . 25454 1 285 . 1 1 25 25 ALA HA H 1 3.783 0.01 . 1 . . . A 25 ALA HA . 25454 1 286 . 1 1 25 25 ALA HB1 H 1 1.479 0.01 . 1 . . . A 25 ALA MB . 25454 1 287 . 1 1 25 25 ALA HB2 H 1 1.479 0.01 . 1 . . . A 25 ALA MB . 25454 1 288 . 1 1 25 25 ALA HB3 H 1 1.479 0.01 . 1 . . . A 25 ALA MB . 25454 1 289 . 1 1 25 25 ALA C C 13 178.497 0.40 . 1 . . . A 25 ALA C . 25454 1 290 . 1 1 25 25 ALA CA C 13 55.620 0.40 . 1 . . . A 25 ALA CA . 25454 1 291 . 1 1 25 25 ALA CB C 13 18.852 0.40 . 1 . . . A 25 ALA CB . 25454 1 292 . 1 1 25 25 ALA N N 15 122.670 0.40 . 1 . . . A 25 ALA N . 25454 1 293 . 1 1 26 26 TRP H H 1 9.181 0.01 . 1 . . . A 26 TRP H . 25454 1 294 . 1 1 26 26 TRP HA H 1 3.709 0.01 . 1 . . . A 26 TRP HA . 25454 1 295 . 1 1 26 26 TRP HB2 H 1 2.787 0.01 . 2 . . . A 26 TRP HB2 . 25454 1 296 . 1 1 26 26 TRP HB3 H 1 3.107 0.01 . 2 . . . A 26 TRP HB3 . 25454 1 297 . 1 1 26 26 TRP HD1 H 1 6.774 0.01 . 1 . . . A 26 TRP HD1 . 25454 1 298 . 1 1 26 26 TRP HE1 H 1 9.937 0.01 . 1 . . . A 26 TRP HE1 . 25454 1 299 . 1 1 26 26 TRP HE3 H 1 8.435 0.01 . 1 . . . A 26 TRP HE3 . 25454 1 300 . 1 1 26 26 TRP HZ2 H 1 7.176 0.01 . 1 . . . A 26 TRP HZ2 . 25454 1 301 . 1 1 26 26 TRP HZ3 H 1 7.536 0.01 . 1 . . . A 26 TRP HZ3 . 25454 1 302 . 1 1 26 26 TRP HH2 H 1 6.878 0.01 . 1 . . . A 26 TRP HH2 . 25454 1 303 . 1 1 26 26 TRP C C 13 178.309 0.40 . 1 . . . A 26 TRP C . 25454 1 304 . 1 1 26 26 TRP CA C 13 63.940 0.40 . 1 . . . A 26 TRP CA . 25454 1 305 . 1 1 26 26 TRP CB C 13 29.740 0.40 . 1 . . . A 26 TRP CB . 25454 1 306 . 1 1 26 26 TRP CD1 C 13 126.005 0.40 . 1 . . . A 26 TRP CD1 . 25454 1 307 . 1 1 26 26 TRP CE3 C 13 135.204 0.40 . 1 . . . A 26 TRP CE3 . 25454 1 308 . 1 1 26 26 TRP CZ2 C 13 118.818 0.40 . 1 . . . A 26 TRP CZ2 . 25454 1 309 . 1 1 26 26 TRP CZ3 C 13 120.921 0.40 . 1 . . . A 26 TRP CZ3 . 25454 1 310 . 1 1 26 26 TRP CH2 C 13 123.138 0.40 . 1 . . . A 26 TRP CH2 . 25454 1 311 . 1 1 26 26 TRP N N 15 118.270 0.40 . 1 . . . A 26 TRP N . 25454 1 312 . 1 1 26 26 TRP NE1 N 15 130.316 0.40 . 1 . . . A 26 TRP NE1 . 25454 1 313 . 1 1 27 27 TRP H H 1 8.527 0.01 . 1 . . . A 27 TRP H . 25454 1 314 . 1 1 27 27 TRP HA H 1 4.118 0.01 . 1 . . . A 27 TRP HA . 25454 1 315 . 1 1 27 27 TRP HB2 H 1 3.819 0.01 . 2 . . . A 27 TRP HB2 . 25454 1 316 . 1 1 27 27 TRP HB3 H 1 3.441 0.01 . 2 . . . A 27 TRP HB3 . 25454 1 317 . 1 1 27 27 TRP HD1 H 1 7.101 0.01 . 1 . . . A 27 TRP HD1 . 25454 1 318 . 1 1 27 27 TRP HE1 H 1 9.581 0.01 . 1 . . . A 27 TRP HE1 . 25454 1 319 . 1 1 27 27 TRP HZ2 H 1 7.172 0.01 . 1 . . . A 27 TRP HZ2 . 25454 1 320 . 1 1 27 27 TRP C C 13 177.511 0.40 . 1 . . . A 27 TRP C . 25454 1 321 . 1 1 27 27 TRP CA C 13 60.588 0.40 . 1 . . . A 27 TRP CA . 25454 1 322 . 1 1 27 27 TRP CB C 13 30.021 0.40 . 1 . . . A 27 TRP CB . 25454 1 323 . 1 1 27 27 TRP CD1 C 13 126.394 0.40 . 1 . . . A 27 TRP CD1 . 25454 1 324 . 1 1 27 27 TRP CZ2 C 13 118.806 0.40 . 1 . . . A 27 TRP CZ2 . 25454 1 325 . 1 1 27 27 TRP N N 15 119.740 0.40 . 1 . . . A 27 TRP N . 25454 1 326 . 1 1 27 27 TRP NE1 N 15 127.620 0.40 . 1 . . . A 27 TRP NE1 . 25454 1 327 . 1 1 28 28 MET H H 1 7.756 0.01 . 1 . . . A 28 MET H . 25454 1 328 . 1 1 28 28 MET HA H 1 3.618 0.01 . 1 . . . A 28 MET HA . 25454 1 329 . 1 1 28 28 MET HB2 H 1 1.944 0.01 . 2 . . . A 28 MET HB2 . 25454 1 330 . 1 1 28 28 MET HB3 H 1 1.543 0.01 . 2 . . . A 28 MET HB3 . 25454 1 331 . 1 1 28 28 MET HG2 H 1 1.437 0.01 . 2 . . . A 28 MET HG2 . 25454 1 332 . 1 1 28 28 MET HG3 H 1 0.875 0.01 . 2 . . . A 28 MET HG3 . 25454 1 333 . 1 1 28 28 MET HE1 H 1 1.431 0.01 . 1 . . . A 28 MET ME . 25454 1 334 . 1 1 28 28 MET HE2 H 1 1.431 0.01 . 1 . . . A 28 MET ME . 25454 1 335 . 1 1 28 28 MET HE3 H 1 1.431 0.01 . 1 . . . A 28 MET ME . 25454 1 336 . 1 1 28 28 MET C C 13 177.587 0.40 . 1 . . . A 28 MET C . 25454 1 337 . 1 1 28 28 MET CA C 13 58.540 0.40 . 1 . . . A 28 MET CA . 25454 1 338 . 1 1 28 28 MET CB C 13 29.392 0.40 . 1 . . . A 28 MET CB . 25454 1 339 . 1 1 28 28 MET CG C 13 30.684 0.40 . 1 . . . A 28 MET CG . 25454 1 340 . 1 1 28 28 MET CE C 13 17.028 0.40 . 1 . . . A 28 MET CE . 25454 1 341 . 1 1 28 28 MET N N 15 119.130 0.40 . 1 . . . A 28 MET N . 25454 1 342 . 1 1 29 29 LEU H H 1 7.838 0.01 . 1 . . . A 29 LEU H . 25454 1 343 . 1 1 29 29 LEU HA H 1 3.559 0.01 . 1 . . . A 29 LEU HA . 25454 1 344 . 1 1 29 29 LEU HB2 H 1 1.458 0.01 . 2 . . . A 29 LEU HB2 . 25454 1 345 . 1 1 29 29 LEU HB3 H 1 0.667 0.01 . 2 . . . A 29 LEU HB3 . 25454 1 346 . 1 1 29 29 LEU HG H 1 0.563 0.01 . 1 . . . A 29 LEU HG . 25454 1 347 . 1 1 29 29 LEU HD11 H 1 0.616 0.01 . 2 . . . A 29 LEU MD1 . 25454 1 348 . 1 1 29 29 LEU HD12 H 1 0.616 0.01 . 2 . . . A 29 LEU MD1 . 25454 1 349 . 1 1 29 29 LEU HD13 H 1 0.616 0.01 . 2 . . . A 29 LEU MD1 . 25454 1 350 . 1 1 29 29 LEU C C 13 179.417 0.40 . 1 . . . A 29 LEU C . 25454 1 351 . 1 1 29 29 LEU CA C 13 57.043 0.40 . 1 . . . A 29 LEU CA . 25454 1 352 . 1 1 29 29 LEU CB C 13 42.676 0.40 . 1 . . . A 29 LEU CB . 25454 1 353 . 1 1 29 29 LEU CG C 13 25.599 0.40 . 1 . . . A 29 LEU CG . 25454 1 354 . 1 1 29 29 LEU CD1 C 13 22.243 0.40 . 2 . . . A 29 LEU CD1 . 25454 1 355 . 1 1 29 29 LEU N N 15 117.820 0.40 . 1 . . . A 29 LEU N . 25454 1 356 . 1 1 30 30 HIS H H 1 7.757 0.01 . 1 . . . A 30 HIS H . 25454 1 357 . 1 1 30 30 HIS HA H 1 4.059 0.01 . 1 . . . A 30 HIS HA . 25454 1 358 . 1 1 30 30 HIS HB2 H 1 1.367 0.01 . 2 . . . A 30 HIS HB2 . 25454 1 359 . 1 1 30 30 HIS HD2 H 1 7.145 0.01 . 1 . . . A 30 HIS HD2 . 25454 1 360 . 1 1 30 30 HIS HE1 H 1 8.437 0.01 . 1 . . . A 30 HIS HE1 . 25454 1 361 . 1 1 30 30 HIS C C 13 176.289 0.40 . 1 . . . A 30 HIS C . 25454 1 362 . 1 1 30 30 HIS CA C 13 56.030 0.40 . 1 . . . A 30 HIS CA . 25454 1 363 . 1 1 30 30 HIS CB C 13 29.216 0.40 . 1 . . . A 30 HIS CB . 25454 1 364 . 1 1 30 30 HIS CD2 C 13 113.056 0.40 . 1 . . . A 30 HIS CD2 . 25454 1 365 . 1 1 30 30 HIS CE1 C 13 135.210 0.40 . 1 . . . A 30 HIS CE1 . 25454 1 366 . 1 1 30 30 HIS N N 15 113.790 0.40 . 1 . . . A 30 HIS N . 25454 1 367 . 1 1 31 31 GLU H H 1 8.916 0.01 . 1 . . . A 31 GLU H . 25454 1 368 . 1 1 31 31 GLU HA H 1 4.450 0.01 . 1 . . . A 31 GLU HA . 25454 1 369 . 1 1 31 31 GLU HB2 H 1 2.257 0.01 . 2 . . . A 31 GLU HB2 . 25454 1 370 . 1 1 31 31 GLU HB3 H 1 2.037 0.01 . 2 . . . A 31 GLU HB3 . 25454 1 371 . 1 1 31 31 GLU HG2 H 1 2.495 0.01 . 2 . . . A 31 GLU HG2 . 25454 1 372 . 1 1 31 31 GLU HG3 H 1 2.352 0.01 . 2 . . . A 31 GLU HG3 . 25454 1 373 . 1 1 31 31 GLU C C 13 176.775 0.40 . 1 . . . A 31 GLU C . 25454 1 374 . 1 1 31 31 GLU CA C 13 56.160 0.40 . 1 . . . A 31 GLU CA . 25454 1 375 . 1 1 31 31 GLU CB C 13 28.386 0.40 . 1 . . . A 31 GLU CB . 25454 1 376 . 1 1 31 31 GLU CG C 13 34.398 0.40 . 1 . . . A 31 GLU CG . 25454 1 377 . 1 1 31 31 GLU N N 15 125.870 0.40 . 1 . . . A 31 GLU N . 25454 1 378 . 1 1 32 32 GLU H H 1 9.330 0.01 . 1 . . . A 32 GLU H . 25454 1 379 . 1 1 32 32 GLU HA H 1 3.563 0.01 . 1 . . . A 32 GLU HA . 25454 1 380 . 1 1 32 32 GLU HB2 H 1 2.270 0.01 . 2 . . . A 32 GLU HB2 . 25454 1 381 . 1 1 32 32 GLU HG2 H 1 2.260 0.01 . 2 . . . A 32 GLU HG2 . 25454 1 382 . 1 1 32 32 GLU C C 13 174.994 0.40 . 1 . . . A 32 GLU C . 25454 1 383 . 1 1 32 32 GLU CA C 13 58.090 0.40 . 1 . . . A 32 GLU CA . 25454 1 384 . 1 1 32 32 GLU CB C 13 26.783 0.40 . 1 . . . A 32 GLU CB . 25454 1 385 . 1 1 32 32 GLU CG C 13 36.528 0.40 . 1 . . . A 32 GLU CG . 25454 1 386 . 1 1 32 32 GLU N N 15 116.185 0.40 . 1 . . . A 32 GLU N . 25454 1 387 . 1 1 33 33 THR H H 1 7.620 0.01 . 1 . . . A 33 THR H . 25454 1 388 . 1 1 33 33 THR HA H 1 4.696 0.01 . 1 . . . A 33 THR HA . 25454 1 389 . 1 1 33 33 THR HB H 1 4.131 0.01 . 1 . . . A 33 THR HB . 25454 1 390 . 1 1 33 33 THR HG21 H 1 0.973 0.01 . 1 . . . A 33 THR MG . 25454 1 391 . 1 1 33 33 THR HG22 H 1 0.973 0.01 . 1 . . . A 33 THR MG . 25454 1 392 . 1 1 33 33 THR HG23 H 1 0.973 0.01 . 1 . . . A 33 THR MG . 25454 1 393 . 1 1 33 33 THR C C 13 173.529 0.40 . 1 . . . A 33 THR C . 25454 1 394 . 1 1 33 33 THR CA C 13 60.129 0.40 . 1 . . . A 33 THR CA . 25454 1 395 . 1 1 33 33 THR CB C 13 71.864 0.40 . 1 . . . A 33 THR CB . 25454 1 396 . 1 1 33 33 THR CG2 C 13 21.612 0.40 . 1 . . . A 33 THR CG2 . 25454 1 397 . 1 1 33 33 THR N N 15 110.202 0.40 . 1 . . . A 33 THR N . 25454 1 398 . 1 1 34 34 VAL H H 1 8.308 0.01 . 1 . . . A 34 VAL H . 25454 1 399 . 1 1 34 34 VAL HA H 1 4.139 0.01 . 1 . . . A 34 VAL HA . 25454 1 400 . 1 1 34 34 VAL HB H 1 1.927 0.01 . 1 . . . A 34 VAL HB . 25454 1 401 . 1 1 34 34 VAL HG11 H 1 0.893 0.01 . 2 . . . A 34 VAL MG1 . 25454 1 402 . 1 1 34 34 VAL HG12 H 1 0.893 0.01 . 2 . . . A 34 VAL MG1 . 25454 1 403 . 1 1 34 34 VAL HG13 H 1 0.893 0.01 . 2 . . . A 34 VAL MG1 . 25454 1 404 . 1 1 34 34 VAL HG21 H 1 0.963 0.01 . 2 . . . A 34 VAL MG2 . 25454 1 405 . 1 1 34 34 VAL HG22 H 1 0.963 0.01 . 2 . . . A 34 VAL MG2 . 25454 1 406 . 1 1 34 34 VAL HG23 H 1 0.963 0.01 . 2 . . . A 34 VAL MG2 . 25454 1 407 . 1 1 34 34 VAL C C 13 172.579 0.40 . 1 . . . A 34 VAL C . 25454 1 408 . 1 1 34 34 VAL CA C 13 63.032 0.40 . 1 . . . A 34 VAL CA . 25454 1 409 . 1 1 34 34 VAL CB C 13 32.594 0.40 . 1 . . . A 34 VAL CB . 25454 1 410 . 1 1 34 34 VAL CG1 C 13 21.278 0.40 . 2 . . . A 34 VAL CG1 . 25454 1 411 . 1 1 34 34 VAL CG2 C 13 21.528 0.40 . 2 . . . A 34 VAL CG2 . 25454 1 412 . 1 1 34 34 VAL N N 15 121.967 0.40 . 1 . . . A 34 VAL N . 25454 1 413 . 1 1 35 35 TYR H H 1 8.610 0.01 . 1 . . . A 35 TYR H . 25454 1 414 . 1 1 35 35 TYR HA H 1 4.562 0.01 . 1 . . . A 35 TYR HA . 25454 1 415 . 1 1 35 35 TYR HB2 H 1 2.858 0.01 . 2 . . . A 35 TYR HB2 . 25454 1 416 . 1 1 35 35 TYR HB3 H 1 2.767 0.01 . 2 . . . A 35 TYR HB3 . 25454 1 417 . 1 1 35 35 TYR HD1 H 1 7.083 0.01 . 3 . . . A 35 TYR HD1 . 25454 1 418 . 1 1 35 35 TYR HE1 H 1 6.916 0.01 . 3 . . . A 35 TYR HE1 . 25454 1 419 . 1 1 35 35 TYR CA C 13 58.660 0.40 . 1 . . . A 35 TYR CA . 25454 1 420 . 1 1 35 35 TYR CB C 13 39.520 0.40 . 1 . . . A 35 TYR CB . 25454 1 421 . 1 1 35 35 TYR CD1 C 13 133.318 0.40 . 3 . . . A 35 TYR CD1 . 25454 1 422 . 1 1 35 35 TYR CE1 C 13 118.391 0.40 . 3 . . . A 35 TYR CE1 . 25454 1 423 . 1 1 35 35 TYR N N 15 129.550 0.40 . 1 . . . A 35 TYR N . 25454 1 424 . 1 1 36 36 LYS H H 1 8.509 0.01 . 1 . . . A 36 LYS H . 25454 1 425 . 1 1 36 36 LYS HA H 1 4.411 0.01 . 1 . . . A 36 LYS HA . 25454 1 426 . 1 1 36 36 LYS HB2 H 1 1.862 0.01 . 2 . . . A 36 LYS HB2 . 25454 1 427 . 1 1 36 36 LYS HB3 H 1 1.566 0.01 . 2 . . . A 36 LYS HB3 . 25454 1 428 . 1 1 36 36 LYS HG2 H 1 1.372 0.01 . 2 . . . A 36 LYS HG2 . 25454 1 429 . 1 1 36 36 LYS HG3 H 1 1.334 0.01 . 2 . . . A 36 LYS HG3 . 25454 1 430 . 1 1 36 36 LYS HD2 H 1 1.669 0.01 . 2 . . . A 36 LYS HD2 . 25454 1 431 . 1 1 36 36 LYS HE2 H 1 2.955 0.01 . 2 . . . A 36 LYS HE2 . 25454 1 432 . 1 1 36 36 LYS HE3 H 1 2.837 0.01 . 2 . . . A 36 LYS HE3 . 25454 1 433 . 1 1 36 36 LYS CA C 13 55.626 0.40 . 1 . . . A 36 LYS CA . 25454 1 434 . 1 1 36 36 LYS CB C 13 32.790 0.40 . 1 . . . A 36 LYS CB . 25454 1 435 . 1 1 36 36 LYS CG C 13 24.528 0.40 . 1 . . . A 36 LYS CG . 25454 1 436 . 1 1 36 36 LYS CD C 13 29.040 0.40 . 1 . . . A 36 LYS CD . 25454 1 437 . 1 1 36 36 LYS CE C 13 42.137 0.40 . 1 . . . A 36 LYS CE . 25454 1 438 . 1 1 36 36 LYS N N 15 129.360 0.40 . 1 . . . A 36 LYS N . 25454 1 439 . 1 1 37 37 GLY H H 1 6.819 0.01 . 1 . . . A 37 GLY H . 25454 1 440 . 1 1 37 37 GLY HA2 H 1 4.074 0.01 . 2 . . . A 37 GLY HA2 . 25454 1 441 . 1 1 37 37 GLY HA3 H 1 3.766 0.01 . 2 . . . A 37 GLY HA3 . 25454 1 442 . 1 1 37 37 GLY C C 13 174.428 0.40 . 1 . . . A 37 GLY C . 25454 1 443 . 1 1 37 37 GLY CA C 13 46.427 0.40 . 1 . . . A 37 GLY CA . 25454 1 444 . 1 1 37 37 GLY N N 15 109.150 0.40 . 1 . . . A 37 GLY N . 25454 1 445 . 1 1 38 38 GLY H H 1 8.365 0.01 . 1 . . . A 38 GLY H . 25454 1 446 . 1 1 38 38 GLY HA2 H 1 3.891 0.01 . 2 . . . A 38 GLY HA2 . 25454 1 447 . 1 1 38 38 GLY HA3 H 1 4.381 0.01 . 2 . . . A 38 GLY HA3 . 25454 1 448 . 1 1 38 38 GLY C C 13 174.108 0.40 . 1 . . . A 38 GLY C . 25454 1 449 . 1 1 38 38 GLY CA C 13 44.972 0.40 . 1 . . . A 38 GLY CA . 25454 1 450 . 1 1 38 38 GLY N N 15 110.780 0.40 . 1 . . . A 38 GLY N . 25454 1 451 . 1 1 39 39 ASP H H 1 8.476 0.01 . 1 . . . A 39 ASP H . 25454 1 452 . 1 1 39 39 ASP HA H 1 4.789 0.01 . 1 . . . A 39 ASP HA . 25454 1 453 . 1 1 39 39 ASP HB2 H 1 2.859 0.01 . 2 . . . A 39 ASP HB2 . 25454 1 454 . 1 1 39 39 ASP C C 13 177.820 0.40 . 1 . . . A 39 ASP C . 25454 1 455 . 1 1 39 39 ASP CA C 13 55.340 0.40 . 1 . . . A 39 ASP CA . 25454 1 456 . 1 1 39 39 ASP CB C 13 41.150 0.40 . 1 . . . A 39 ASP CB . 25454 1 457 . 1 1 39 39 ASP N N 15 120.800 0.40 . 1 . . . A 39 ASP N . 25454 1 458 . 1 1 40 40 THR H H 1 8.132 0.01 . 1 . . . A 40 THR H . 25454 1 459 . 1 1 40 40 THR HA H 1 3.753 0.01 . 1 . . . A 40 THR HA . 25454 1 460 . 1 1 40 40 THR HB H 1 3.735 0.01 . 1 . . . A 40 THR HB . 25454 1 461 . 1 1 40 40 THR HG21 H 1 0.970 0.01 . 1 . . . A 40 THR MG . 25454 1 462 . 1 1 40 40 THR HG22 H 1 0.970 0.01 . 1 . . . A 40 THR MG . 25454 1 463 . 1 1 40 40 THR HG23 H 1 0.970 0.01 . 1 . . . A 40 THR MG . 25454 1 464 . 1 1 40 40 THR C C 13 175.526 0.40 . 1 . . . A 40 THR C . 25454 1 465 . 1 1 40 40 THR CA C 13 60.300 0.40 . 1 . . . A 40 THR CA . 25454 1 466 . 1 1 40 40 THR CB C 13 71.278 0.40 . 1 . . . A 40 THR CB . 25454 1 467 . 1 1 40 40 THR CG2 C 13 21.770 0.40 . 1 . . . A 40 THR CG2 . 25454 1 468 . 1 1 40 40 THR N N 15 111.201 0.40 . 1 . . . A 40 THR N . 25454 1 469 . 1 1 41 41 VAL H H 1 8.278 0.01 . 1 . . . A 41 VAL H . 25454 1 470 . 1 1 41 41 VAL HA H 1 3.831 0.01 . 1 . . . A 41 VAL HA . 25454 1 471 . 1 1 41 41 VAL HB H 1 2.019 0.01 . 1 . . . A 41 VAL HB . 25454 1 472 . 1 1 41 41 VAL HG11 H 1 0.283 0.01 . 2 . . . A 41 VAL MG1 . 25454 1 473 . 1 1 41 41 VAL HG12 H 1 0.283 0.01 . 2 . . . A 41 VAL MG1 . 25454 1 474 . 1 1 41 41 VAL HG13 H 1 0.283 0.01 . 2 . . . A 41 VAL MG1 . 25454 1 475 . 1 1 41 41 VAL HG21 H 1 0.776 0.01 . 2 . . . A 41 VAL MG2 . 25454 1 476 . 1 1 41 41 VAL HG22 H 1 0.776 0.01 . 2 . . . A 41 VAL MG2 . 25454 1 477 . 1 1 41 41 VAL HG23 H 1 0.776 0.01 . 2 . . . A 41 VAL MG2 . 25454 1 478 . 1 1 41 41 VAL C C 13 174.100 0.40 . 1 . . . A 41 VAL C . 25454 1 479 . 1 1 41 41 VAL CA C 13 63.988 0.40 . 1 . . . A 41 VAL CA . 25454 1 480 . 1 1 41 41 VAL CB C 13 30.465 0.40 . 1 . . . A 41 VAL CB . 25454 1 481 . 1 1 41 41 VAL CG1 C 13 21.784 0.40 . 2 . . . A 41 VAL CG1 . 25454 1 482 . 1 1 41 41 VAL CG2 C 13 22.148 0.40 . 2 . . . A 41 VAL CG2 . 25454 1 483 . 1 1 41 41 VAL N N 15 125.014 0.40 . 1 . . . A 41 VAL N . 25454 1 484 . 1 1 42 42 THR H H 1 7.849 0.01 . 1 . . . A 42 THR H . 25454 1 485 . 1 1 42 42 THR HA H 1 4.603 0.01 . 1 . . . A 42 THR HA . 25454 1 486 . 1 1 42 42 THR HB H 1 4.230 0.01 . 1 . . . A 42 THR HB . 25454 1 487 . 1 1 42 42 THR HG21 H 1 1.118 0.01 . 1 . . . A 42 THR MG . 25454 1 488 . 1 1 42 42 THR HG22 H 1 1.118 0.01 . 1 . . . A 42 THR MG . 25454 1 489 . 1 1 42 42 THR HG23 H 1 1.118 0.01 . 1 . . . A 42 THR MG . 25454 1 490 . 1 1 42 42 THR C C 13 172.978 0.40 . 1 . . . A 42 THR C . 25454 1 491 . 1 1 42 42 THR CA C 13 60.166 0.40 . 1 . . . A 42 THR CA . 25454 1 492 . 1 1 42 42 THR CB C 13 70.588 0.40 . 1 . . . A 42 THR CB . 25454 1 493 . 1 1 42 42 THR CG2 C 13 20.040 0.40 . 1 . . . A 42 THR CG2 . 25454 1 494 . 1 1 42 42 THR N N 15 121.970 0.40 . 1 . . . A 42 THR N . 25454 1 495 . 1 1 43 43 LEU H H 1 8.310 0.01 . 1 . . . A 43 LEU H . 25454 1 496 . 1 1 43 43 LEU HA H 1 5.041 0.01 . 1 . . . A 43 LEU HA . 25454 1 497 . 1 1 43 43 LEU HB2 H 1 1.965 0.01 . 2 . . . A 43 LEU HB2 . 25454 1 498 . 1 1 43 43 LEU HB3 H 1 1.488 0.01 . 2 . . . A 43 LEU HB3 . 25454 1 499 . 1 1 43 43 LEU HG H 1 1.964 0.01 . 1 . . . A 43 LEU HG . 25454 1 500 . 1 1 43 43 LEU HD11 H 1 0.768 0.01 . 2 . . . A 43 LEU MD1 . 25454 1 501 . 1 1 43 43 LEU HD12 H 1 0.768 0.01 . 2 . . . A 43 LEU MD1 . 25454 1 502 . 1 1 43 43 LEU HD13 H 1 0.768 0.01 . 2 . . . A 43 LEU MD1 . 25454 1 503 . 1 1 43 43 LEU HD21 H 1 0.979 0.01 . 2 . . . A 43 LEU MD2 . 25454 1 504 . 1 1 43 43 LEU HD22 H 1 0.979 0.01 . 2 . . . A 43 LEU MD2 . 25454 1 505 . 1 1 43 43 LEU HD23 H 1 0.979 0.01 . 2 . . . A 43 LEU MD2 . 25454 1 506 . 1 1 43 43 LEU CA C 13 55.072 0.40 . 1 . . . A 43 LEU CA . 25454 1 507 . 1 1 43 43 LEU CB C 13 42.661 0.40 . 1 . . . A 43 LEU CB . 25454 1 508 . 1 1 43 43 LEU CG C 13 27.259 0.40 . 1 . . . A 43 LEU CG . 25454 1 509 . 1 1 43 43 LEU CD1 C 13 25.031 0.40 . 2 . . . A 43 LEU CD1 . 25454 1 510 . 1 1 43 43 LEU CD2 C 13 26.155 0.40 . 2 . . . A 43 LEU CD2 . 25454 1 511 . 1 1 43 43 LEU N N 15 122.979 0.40 . 1 . . . A 43 LEU N . 25454 1 512 . 1 1 44 44 ASN H H 1 9.542 0.01 . 1 . . . A 44 ASN H . 25454 1 513 . 1 1 44 44 ASN HA H 1 5.135 0.01 . 1 . . . A 44 ASN HA . 25454 1 514 . 1 1 44 44 ASN HB2 H 1 3.065 0.01 . 2 . . . A 44 ASN HB2 . 25454 1 515 . 1 1 44 44 ASN HB3 H 1 3.419 0.01 . 2 . . . A 44 ASN HB3 . 25454 1 516 . 1 1 44 44 ASN HD21 H 1 7.825 0.01 . 2 . . . A 44 ASN HD21 . 25454 1 517 . 1 1 44 44 ASN HD22 H 1 7.089 0.01 . 2 . . . A 44 ASN HD22 . 25454 1 518 . 1 1 44 44 ASN C C 13 175.736 0.40 . 1 . . . A 44 ASN C . 25454 1 519 . 1 1 44 44 ASN CA C 13 50.814 0.40 . 1 . . . A 44 ASN CA . 25454 1 520 . 1 1 44 44 ASN CB C 13 40.280 0.40 . 1 . . . A 44 ASN CB . 25454 1 521 . 1 1 44 44 ASN N N 15 124.579 0.40 . 1 . . . A 44 ASN N . 25454 1 522 . 1 1 44 44 ASN ND2 N 15 113.436 0.40 . 1 . . . A 44 ASN ND2 . 25454 1 523 . 1 1 45 45 GLU H H 1 8.752 0.01 . 1 . . . A 45 GLU H . 25454 1 524 . 1 1 45 45 GLU HA H 1 4.088 0.01 . 1 . . . A 45 GLU HA . 25454 1 525 . 1 1 45 45 GLU HB2 H 1 2.142 0.01 . 2 . . . A 45 GLU HB2 . 25454 1 526 . 1 1 45 45 GLU HG2 H 1 2.451 0.01 . 2 . . . A 45 GLU HG2 . 25454 1 527 . 1 1 45 45 GLU C C 13 179.010 0.40 . 1 . . . A 45 GLU C . 25454 1 528 . 1 1 45 45 GLU CA C 13 60.349 0.40 . 1 . . . A 45 GLU CA . 25454 1 529 . 1 1 45 45 GLU CB C 13 28.908 0.40 . 1 . . . A 45 GLU CB . 25454 1 530 . 1 1 45 45 GLU CG C 13 35.411 0.40 . 1 . . . A 45 GLU CG . 25454 1 531 . 1 1 45 45 GLU N N 15 118.210 0.40 . 1 . . . A 45 GLU N . 25454 1 532 . 1 1 46 46 THR H H 1 8.043 0.01 . 1 . . . A 46 THR H . 25454 1 533 . 1 1 46 46 THR HA H 1 4.114 0.01 . 1 . . . A 46 THR HA . 25454 1 534 . 1 1 46 46 THR HB H 1 4.353 0.01 . 1 . . . A 46 THR HB . 25454 1 535 . 1 1 46 46 THR HG21 H 1 1.276 0.01 . 1 . . . A 46 THR MG . 25454 1 536 . 1 1 46 46 THR HG22 H 1 1.276 0.01 . 1 . . . A 46 THR MG . 25454 1 537 . 1 1 46 46 THR HG23 H 1 1.276 0.01 . 1 . . . A 46 THR MG . 25454 1 538 . 1 1 46 46 THR C C 13 176.994 0.40 . 1 . . . A 46 THR C . 25454 1 539 . 1 1 46 46 THR CA C 13 66.260 0.40 . 1 . . . A 46 THR CA . 25454 1 540 . 1 1 46 46 THR CB C 13 68.270 0.40 . 1 . . . A 46 THR CB . 25454 1 541 . 1 1 46 46 THR CG2 C 13 22.237 0.40 . 1 . . . A 46 THR CG2 . 25454 1 542 . 1 1 46 46 THR N N 15 116.430 0.40 . 1 . . . A 46 THR N . 25454 1 543 . 1 1 47 47 ASP H H 1 8.475 0.01 . 1 . . . A 47 ASP H . 25454 1 544 . 1 1 47 47 ASP HA H 1 4.344 0.01 . 1 . . . A 47 ASP HA . 25454 1 545 . 1 1 47 47 ASP HB2 H 1 2.743 0.01 . 2 . . . A 47 ASP HB2 . 25454 1 546 . 1 1 47 47 ASP HB3 H 1 3.322 0.01 . 2 . . . A 47 ASP HB3 . 25454 1 547 . 1 1 47 47 ASP C C 13 178.914 0.40 . 1 . . . A 47 ASP C . 25454 1 548 . 1 1 47 47 ASP CA C 13 58.630 0.40 . 1 . . . A 47 ASP CA . 25454 1 549 . 1 1 47 47 ASP CB C 13 42.350 0.40 . 1 . . . A 47 ASP CB . 25454 1 550 . 1 1 47 47 ASP N N 15 124.380 0.40 . 1 . . . A 47 ASP N . 25454 1 551 . 1 1 48 48 LEU H H 1 8.082 0.01 . 1 . . . A 48 LEU H . 25454 1 552 . 1 1 48 48 LEU HA H 1 4.118 0.01 . 1 . . . A 48 LEU HA . 25454 1 553 . 1 1 48 48 LEU HB2 H 1 1.960 0.01 . 2 . . . A 48 LEU HB2 . 25454 1 554 . 1 1 48 48 LEU HB3 H 1 1.585 0.01 . 2 . . . A 48 LEU HB3 . 25454 1 555 . 1 1 48 48 LEU HG H 1 1.860 0.01 . 1 . . . A 48 LEU HG . 25454 1 556 . 1 1 48 48 LEU HD11 H 1 0.928 0.01 . 2 . . . A 48 LEU MD1 . 25454 1 557 . 1 1 48 48 LEU HD12 H 1 0.928 0.01 . 2 . . . A 48 LEU MD1 . 25454 1 558 . 1 1 48 48 LEU HD13 H 1 0.928 0.01 . 2 . . . A 48 LEU MD1 . 25454 1 559 . 1 1 48 48 LEU HD21 H 1 0.949 0.01 . 2 . . . A 48 LEU MD2 . 25454 1 560 . 1 1 48 48 LEU HD22 H 1 0.949 0.01 . 2 . . . A 48 LEU MD2 . 25454 1 561 . 1 1 48 48 LEU HD23 H 1 0.949 0.01 . 2 . . . A 48 LEU MD2 . 25454 1 562 . 1 1 48 48 LEU C C 13 175.839 0.40 . 1 . . . A 48 LEU C . 25454 1 563 . 1 1 48 48 LEU CA C 13 57.432 0.40 . 1 . . . A 48 LEU CA . 25454 1 564 . 1 1 48 48 LEU CB C 13 41.430 0.40 . 1 . . . A 48 LEU CB . 25454 1 565 . 1 1 48 48 LEU CG C 13 26.850 0.40 . 1 . . . A 48 LEU CG . 25454 1 566 . 1 1 48 48 LEU CD1 C 13 25.329 0.40 . 2 . . . A 48 LEU CD1 . 25454 1 567 . 1 1 48 48 LEU CD2 C 13 22.934 0.40 . 2 . . . A 48 LEU CD2 . 25454 1 568 . 1 1 48 48 LEU N N 15 116.889 0.40 . 1 . . . A 48 LEU N . 25454 1 569 . 1 1 49 49 THR H H 1 7.743 0.01 . 1 . . . A 49 THR H . 25454 1 570 . 1 1 49 49 THR HA H 1 4.310 0.01 . 1 . . . A 49 THR HA . 25454 1 571 . 1 1 49 49 THR HB H 1 4.372 0.01 . 1 . . . A 49 THR HB . 25454 1 572 . 1 1 49 49 THR HG21 H 1 1.334 0.01 . 1 . . . A 49 THR MG . 25454 1 573 . 1 1 49 49 THR HG22 H 1 1.334 0.01 . 1 . . . A 49 THR MG . 25454 1 574 . 1 1 49 49 THR HG23 H 1 1.334 0.01 . 1 . . . A 49 THR MG . 25454 1 575 . 1 1 49 49 THR C C 13 177.306 0.40 . 1 . . . A 49 THR C . 25454 1 576 . 1 1 49 49 THR CA C 13 64.520 0.40 . 1 . . . A 49 THR CA . 25454 1 577 . 1 1 49 49 THR CB C 13 69.525 0.40 . 1 . . . A 49 THR CB . 25454 1 578 . 1 1 49 49 THR CG2 C 13 21.766 0.40 . 1 . . . A 49 THR CG2 . 25454 1 579 . 1 1 49 49 THR N N 15 112.550 0.40 . 1 . . . A 49 THR N . 25454 1 580 . 1 1 50 50 GLN H H 1 8.519 0.01 . 1 . . . A 50 GLN H . 25454 1 581 . 1 1 50 50 GLN HA H 1 4.344 0.01 . 1 . . . A 50 GLN HA . 25454 1 582 . 1 1 50 50 GLN HB2 H 1 2.119 0.01 . 2 . . . A 50 GLN HB2 . 25454 1 583 . 1 1 50 50 GLN HB3 H 1 1.961 0.01 . 2 . . . A 50 GLN HB3 . 25454 1 584 . 1 1 50 50 GLN HG2 H 1 2.490 0.01 . 2 . . . A 50 GLN HG2 . 25454 1 585 . 1 1 50 50 GLN HG3 H 1 2.450 0.01 . 2 . . . A 50 GLN HG3 . 25454 1 586 . 1 1 50 50 GLN HE21 H 1 6.803 0.01 . 2 . . . A 50 GLN HE21 . 25454 1 587 . 1 1 50 50 GLN HE22 H 1 7.377 0.01 . 2 . . . A 50 GLN HE22 . 25454 1 588 . 1 1 50 50 GLN C C 13 178.308 0.40 . 1 . . . A 50 GLN C . 25454 1 589 . 1 1 50 50 GLN CA C 13 58.630 0.40 . 1 . . . A 50 GLN CA . 25454 1 590 . 1 1 50 50 GLN CB C 13 30.850 0.40 . 1 . . . A 50 GLN CB . 25454 1 591 . 1 1 50 50 GLN CG C 13 34.535 0.40 . 1 . . . A 50 GLN CG . 25454 1 592 . 1 1 50 50 GLN N N 15 121.570 0.40 . 1 . . . A 50 GLN N . 25454 1 593 . 1 1 50 50 GLN NE2 N 15 111.607 0.40 . 1 . . . A 50 GLN NE2 . 25454 1 594 . 1 1 51 51 ILE H H 1 8.663 0.01 . 1 . . . A 51 ILE H . 25454 1 595 . 1 1 51 51 ILE HA H 1 3.573 0.01 . 1 . . . A 51 ILE HA . 25454 1 596 . 1 1 51 51 ILE HB H 1 2.070 0.01 . 1 . . . A 51 ILE HB . 25454 1 597 . 1 1 51 51 ILE HG12 H 1 1.992 0.01 . 2 . . . A 51 ILE HG12 . 25454 1 598 . 1 1 51 51 ILE HG21 H 1 0.902 0.01 . 1 . . . A 51 ILE MG . 25454 1 599 . 1 1 51 51 ILE HG22 H 1 0.902 0.01 . 1 . . . A 51 ILE MG . 25454 1 600 . 1 1 51 51 ILE HG23 H 1 0.902 0.01 . 1 . . . A 51 ILE MG . 25454 1 601 . 1 1 51 51 ILE HD11 H 1 1.018 0.01 . 1 . . . A 51 ILE MD . 25454 1 602 . 1 1 51 51 ILE HD12 H 1 1.018 0.01 . 1 . . . A 51 ILE MD . 25454 1 603 . 1 1 51 51 ILE HD13 H 1 1.018 0.01 . 1 . . . A 51 ILE MD . 25454 1 604 . 1 1 51 51 ILE CA C 13 69.155 0.40 . 1 . . . A 51 ILE CA . 25454 1 605 . 1 1 51 51 ILE CB C 13 35.659 0.40 . 1 . . . A 51 ILE CB . 25454 1 606 . 1 1 51 51 ILE CG1 C 13 31.321 0.40 . 1 . . . A 51 ILE CG1 . 25454 1 607 . 1 1 51 51 ILE CG2 C 13 16.653 0.40 . 1 . . . A 51 ILE CG2 . 25454 1 608 . 1 1 51 51 ILE CD1 C 13 14.435 0.40 . 1 . . . A 51 ILE CD1 . 25454 1 609 . 1 1 51 51 ILE N N 15 120.320 0.40 . 1 . . . A 51 ILE N . 25454 1 610 . 1 1 52 52 PRO HA H 1 4.301 0.01 . 1 . . . A 52 PRO HA . 25454 1 611 . 1 1 52 52 PRO HB2 H 1 2.435 0.01 . 2 . . . A 52 PRO HB2 . 25454 1 612 . 1 1 52 52 PRO HB3 H 1 1.847 0.01 . 2 . . . A 52 PRO HB3 . 25454 1 613 . 1 1 52 52 PRO HG2 H 1 2.210 0.01 . 2 . . . A 52 PRO HG2 . 25454 1 614 . 1 1 52 52 PRO HG3 H 1 2.022 0.01 . 2 . . . A 52 PRO HG3 . 25454 1 615 . 1 1 52 52 PRO HD2 H 1 3.561 0.01 . 2 . . . A 52 PRO HD2 . 25454 1 616 . 1 1 52 52 PRO C C 13 179.686 0.40 . 1 . . . A 52 PRO C . 25454 1 617 . 1 1 52 52 PRO CA C 13 66.190 0.40 . 1 . . . A 52 PRO CA . 25454 1 618 . 1 1 52 52 PRO CB C 13 31.270 0.40 . 1 . . . A 52 PRO CB . 25454 1 619 . 1 1 52 52 PRO CG C 13 28.420 0.40 . 1 . . . A 52 PRO CG . 25454 1 620 . 1 1 52 52 PRO CD C 13 50.108 0.40 . 1 . . . A 52 PRO CD . 25454 1 621 . 1 1 53 53 LYS H H 1 7.016 0.01 . 1 . . . A 53 LYS H . 25454 1 622 . 1 1 53 53 LYS HA H 1 4.231 0.01 . 1 . . . A 53 LYS HA . 25454 1 623 . 1 1 53 53 LYS HB2 H 1 2.094 0.01 . 2 . . . A 53 LYS HB2 . 25454 1 624 . 1 1 53 53 LYS HB3 H 1 2.418 0.01 . 2 . . . A 53 LYS HB3 . 25454 1 625 . 1 1 53 53 LYS HG2 H 1 1.588 0.01 . 2 . . . A 53 LYS HG2 . 25454 1 626 . 1 1 53 53 LYS HG3 H 1 1.824 0.01 . 2 . . . A 53 LYS HG3 . 25454 1 627 . 1 1 53 53 LYS HD2 H 1 1.808 0.01 . 2 . . . A 53 LYS HD2 . 25454 1 628 . 1 1 53 53 LYS HE2 H 1 3.062 0.01 . 2 . . . A 53 LYS HE2 . 25454 1 629 . 1 1 53 53 LYS C C 13 179.475 0.40 . 1 . . . A 53 LYS C . 25454 1 630 . 1 1 53 53 LYS CA C 13 59.017 0.40 . 1 . . . A 53 LYS CA . 25454 1 631 . 1 1 53 53 LYS CB C 13 31.796 0.40 . 1 . . . A 53 LYS CB . 25454 1 632 . 1 1 53 53 LYS CG C 13 25.484 0.40 . 1 . . . A 53 LYS CG . 25454 1 633 . 1 1 53 53 LYS CD C 13 29.313 0.40 . 1 . . . A 53 LYS CD . 25454 1 634 . 1 1 53 53 LYS CE C 13 42.286 0.40 . 1 . . . A 53 LYS CE . 25454 1 635 . 1 1 53 53 LYS N N 15 116.520 0.40 . 1 . . . A 53 LYS N . 25454 1 636 . 1 1 54 54 VAL H H 1 8.068 0.01 . 1 . . . A 54 VAL H . 25454 1 637 . 1 1 54 54 VAL HA H 1 3.022 0.01 . 1 . . . A 54 VAL HA . 25454 1 638 . 1 1 54 54 VAL HB H 1 2.027 0.01 . 1 . . . A 54 VAL HB . 25454 1 639 . 1 1 54 54 VAL HG11 H 1 -0.314 0.01 . 2 . . . A 54 VAL MG1 . 25454 1 640 . 1 1 54 54 VAL HG12 H 1 -0.314 0.01 . 2 . . . A 54 VAL MG1 . 25454 1 641 . 1 1 54 54 VAL HG13 H 1 -0.314 0.01 . 2 . . . A 54 VAL MG1 . 25454 1 642 . 1 1 54 54 VAL HG21 H 1 0.094 0.01 . 2 . . . A 54 VAL MG2 . 25454 1 643 . 1 1 54 54 VAL HG22 H 1 0.094 0.01 . 2 . . . A 54 VAL MG2 . 25454 1 644 . 1 1 54 54 VAL HG23 H 1 0.094 0.01 . 2 . . . A 54 VAL MG2 . 25454 1 645 . 1 1 54 54 VAL C C 13 177.692 0.40 . 1 . . . A 54 VAL C . 25454 1 646 . 1 1 54 54 VAL CA C 13 65.860 0.40 . 1 . . . A 54 VAL CA . 25454 1 647 . 1 1 54 54 VAL CB C 13 30.623 0.40 . 1 . . . A 54 VAL CB . 25454 1 648 . 1 1 54 54 VAL CG1 C 13 21.271 0.40 . 2 . . . A 54 VAL CG1 . 25454 1 649 . 1 1 54 54 VAL CG2 C 13 22.528 0.40 . 2 . . . A 54 VAL CG2 . 25454 1 650 . 1 1 54 54 VAL N N 15 125.220 0.40 . 1 . . . A 54 VAL N . 25454 1 651 . 1 1 55 55 ILE H H 1 7.589 0.01 . 1 . . . A 55 ILE H . 25454 1 652 . 1 1 55 55 ILE HA H 1 3.641 0.01 . 1 . . . A 55 ILE HA . 25454 1 653 . 1 1 55 55 ILE HB H 1 1.988 0.01 . 1 . . . A 55 ILE HB . 25454 1 654 . 1 1 55 55 ILE HG12 H 1 1.881 0.01 . 2 . . . A 55 ILE HG12 . 25454 1 655 . 1 1 55 55 ILE HG13 H 1 1.142 0.01 . 2 . . . A 55 ILE HG13 . 25454 1 656 . 1 1 55 55 ILE HG21 H 1 0.960 0.01 . 1 . . . A 55 ILE MG . 25454 1 657 . 1 1 55 55 ILE HG22 H 1 0.960 0.01 . 1 . . . A 55 ILE MG . 25454 1 658 . 1 1 55 55 ILE HG23 H 1 0.960 0.01 . 1 . . . A 55 ILE MG . 25454 1 659 . 1 1 55 55 ILE HD11 H 1 0.944 0.01 . 1 . . . A 55 ILE MD . 25454 1 660 . 1 1 55 55 ILE HD12 H 1 0.944 0.01 . 1 . . . A 55 ILE MD . 25454 1 661 . 1 1 55 55 ILE HD13 H 1 0.944 0.01 . 1 . . . A 55 ILE MD . 25454 1 662 . 1 1 55 55 ILE C C 13 177.515 0.40 . 1 . . . A 55 ILE C . 25454 1 663 . 1 1 55 55 ILE CA C 13 66.896 0.40 . 1 . . . A 55 ILE CA . 25454 1 664 . 1 1 55 55 ILE CB C 13 38.500 0.40 . 1 . . . A 55 ILE CB . 25454 1 665 . 1 1 55 55 ILE CG1 C 13 30.054 0.40 . 1 . . . A 55 ILE CG1 . 25454 1 666 . 1 1 55 55 ILE CG2 C 13 17.299 0.40 . 1 . . . A 55 ILE CG2 . 25454 1 667 . 1 1 55 55 ILE CD1 C 13 14.306 0.40 . 1 . . . A 55 ILE CD1 . 25454 1 668 . 1 1 55 55 ILE N N 15 119.943 0.40 . 1 . . . A 55 ILE N . 25454 1 669 . 1 1 56 56 GLU H H 1 7.794 0.01 . 1 . . . A 56 GLU H . 25454 1 670 . 1 1 56 56 GLU HA H 1 4.010 0.01 . 1 . . . A 56 GLU HA . 25454 1 671 . 1 1 56 56 GLU HB2 H 1 2.149 0.01 . 2 . . . A 56 GLU HB2 . 25454 1 672 . 1 1 56 56 GLU HG2 H 1 2.454 0.01 . 2 . . . A 56 GLU HG2 . 25454 1 673 . 1 1 56 56 GLU HG3 H 1 2.399 0.01 . 2 . . . A 56 GLU HG3 . 25454 1 674 . 1 1 56 56 GLU C C 13 178.518 0.40 . 1 . . . A 56 GLU C . 25454 1 675 . 1 1 56 56 GLU CA C 13 59.603 0.40 . 1 . . . A 56 GLU CA . 25454 1 676 . 1 1 56 56 GLU CB C 13 29.776 0.40 . 1 . . . A 56 GLU CB . 25454 1 677 . 1 1 56 56 GLU CG C 13 35.472 0.40 . 1 . . . A 56 GLU CG . 25454 1 678 . 1 1 56 56 GLU N N 15 118.310 0.40 . 1 . . . A 56 GLU N . 25454 1 679 . 1 1 57 57 TYR H H 1 8.495 0.01 . 1 . . . A 57 TYR H . 25454 1 680 . 1 1 57 57 TYR HA H 1 4.239 0.01 . 1 . . . A 57 TYR HA . 25454 1 681 . 1 1 57 57 TYR HB2 H 1 3.478 0.01 . 2 . . . A 57 TYR HB2 . 25454 1 682 . 1 1 57 57 TYR HB3 H 1 3.426 0.01 . 2 . . . A 57 TYR HB3 . 25454 1 683 . 1 1 57 57 TYR HD1 H 1 7.214 0.01 . 3 . . . A 57 TYR HD1 . 25454 1 684 . 1 1 57 57 TYR HE1 H 1 6.624 0.01 . 3 . . . A 57 TYR HE1 . 25454 1 685 . 1 1 57 57 TYR C C 13 178.919 0.40 . 1 . . . A 57 TYR C . 25454 1 686 . 1 1 57 57 TYR CA C 13 61.600 0.40 . 1 . . . A 57 TYR CA . 25454 1 687 . 1 1 57 57 TYR CB C 13 39.060 0.40 . 1 . . . A 57 TYR CB . 25454 1 688 . 1 1 57 57 TYR CD1 C 13 133.708 0.40 . 3 . . . A 57 TYR CD1 . 25454 1 689 . 1 1 57 57 TYR CE1 C 13 117.887 0.40 . 3 . . . A 57 TYR CE1 . 25454 1 690 . 1 1 57 57 TYR N N 15 120.510 0.40 . 1 . . . A 57 TYR N . 25454 1 691 . 1 1 58 58 CYS H H 1 8.672 0.01 . 1 . . . A 58 CYS H . 25454 1 692 . 1 1 58 58 CYS HA H 1 4.685 0.01 . 1 . . . A 58 CYS HA . 25454 1 693 . 1 1 58 58 CYS HB2 H 1 2.970 0.01 . 2 . . . A 58 CYS HB2 . 25454 1 694 . 1 1 58 58 CYS HB3 H 1 3.230 0.01 . 2 . . . A 58 CYS HB3 . 25454 1 695 . 1 1 58 58 CYS C C 13 177.217 0.40 . 1 . . . A 58 CYS C . 25454 1 696 . 1 1 58 58 CYS CA C 13 52.020 0.40 . 1 . . . A 58 CYS CA . 25454 1 697 . 1 1 58 58 CYS CB C 13 31.667 0.40 . 1 . . . A 58 CYS CB . 25454 1 698 . 1 1 58 58 CYS N N 15 117.760 0.40 . 1 . . . A 58 CYS N . 25454 1 699 . 1 1 59 59 LYS H H 1 8.481 0.01 . 1 . . . A 59 LYS H . 25454 1 700 . 1 1 59 59 LYS HA H 1 4.008 0.01 . 1 . . . A 59 LYS HA . 25454 1 701 . 1 1 59 59 LYS HB2 H 1 1.952 0.01 . 2 . . . A 59 LYS HB2 . 25454 1 702 . 1 1 59 59 LYS HB3 H 1 1.859 0.01 . 2 . . . A 59 LYS HB3 . 25454 1 703 . 1 1 59 59 LYS HG2 H 1 1.667 0.01 . 2 . . . A 59 LYS HG2 . 25454 1 704 . 1 1 59 59 LYS HD2 H 1 1.782 0.01 . 2 . . . A 59 LYS HD2 . 25454 1 705 . 1 1 59 59 LYS HD3 H 1 1.408 0.01 . 2 . . . A 59 LYS HD3 . 25454 1 706 . 1 1 59 59 LYS HE2 H 1 2.936 0.01 . 2 . . . A 59 LYS HE2 . 25454 1 707 . 1 1 59 59 LYS C C 13 179.247 0.40 . 1 . . . A 59 LYS C . 25454 1 708 . 1 1 59 59 LYS CA C 13 59.790 0.40 . 1 . . . A 59 LYS CA . 25454 1 709 . 1 1 59 59 LYS CB C 13 32.800 0.40 . 1 . . . A 59 LYS CB . 25454 1 710 . 1 1 59 59 LYS CG C 13 29.564 0.40 . 1 . . . A 59 LYS CG . 25454 1 711 . 1 1 59 59 LYS CD C 13 26.520 0.40 . 1 . . . A 59 LYS CD . 25454 1 712 . 1 1 59 59 LYS CE C 13 42.040 0.40 . 1 . . . A 59 LYS CE . 25454 1 713 . 1 1 59 59 LYS N N 15 120.550 0.40 . 1 . . . A 59 LYS N . 25454 1 714 . 1 1 60 60 LYS H H 1 7.455 0.01 . 1 . . . A 60 LYS H . 25454 1 715 . 1 1 60 60 LYS HA H 1 4.166 0.01 . 1 . . . A 60 LYS HA . 25454 1 716 . 1 1 60 60 LYS HB2 H 1 1.851 0.01 . 2 . . . A 60 LYS HB2 . 25454 1 717 . 1 1 60 60 LYS HB3 H 1 1.785 0.01 . 2 . . . A 60 LYS HB3 . 25454 1 718 . 1 1 60 60 LYS HG2 H 1 1.598 0.01 . 2 . . . A 60 LYS HG2 . 25454 1 719 . 1 1 60 60 LYS HG3 H 1 1.457 0.01 . 2 . . . A 60 LYS HG3 . 25454 1 720 . 1 1 60 60 LYS HD2 H 1 1.686 0.01 . 2 . . . A 60 LYS HD2 . 25454 1 721 . 1 1 60 60 LYS HE2 H 1 3.011 0.01 . 2 . . . A 60 LYS HE2 . 25454 1 722 . 1 1 60 60 LYS C C 13 176.432 0.40 . 1 . . . A 60 LYS C . 25454 1 723 . 1 1 60 60 LYS CA C 13 57.260 0.40 . 1 . . . A 60 LYS CA . 25454 1 724 . 1 1 60 60 LYS CB C 13 33.760 0.40 . 1 . . . A 60 LYS CB . 25454 1 725 . 1 1 60 60 LYS CG C 13 25.655 0.40 . 1 . . . A 60 LYS CG . 25454 1 726 . 1 1 60 60 LYS CD C 13 29.298 0.40 . 1 . . . A 60 LYS CD . 25454 1 727 . 1 1 60 60 LYS CE C 13 42.273 0.40 . 1 . . . A 60 LYS CE . 25454 1 728 . 1 1 60 60 LYS N N 15 116.830 0.40 . 1 . . . A 60 LYS N . 25454 1 729 . 1 1 61 61 ASN H H 1 7.368 0.01 . 1 . . . A 61 ASN H . 25454 1 730 . 1 1 61 61 ASN HA H 1 4.686 0.01 . 1 . . . A 61 ASN HA . 25454 1 731 . 1 1 61 61 ASN HB2 H 1 2.048 0.01 . 2 . . . A 61 ASN HB2 . 25454 1 732 . 1 1 61 61 ASN HD21 H 1 7.204 0.01 . 2 . . . A 61 ASN HD21 . 25454 1 733 . 1 1 61 61 ASN HD22 H 1 6.756 0.01 . 2 . . . A 61 ASN HD22 . 25454 1 734 . 1 1 61 61 ASN CA C 13 51.300 0.40 . 1 . . . A 61 ASN CA . 25454 1 735 . 1 1 61 61 ASN CB C 13 40.208 0.40 . 1 . . . A 61 ASN CB . 25454 1 736 . 1 1 61 61 ASN N N 15 117.140 0.40 . 1 . . . A 61 ASN N . 25454 1 737 . 1 1 61 61 ASN ND2 N 15 120.545 0.40 . 1 . . . A 61 ASN ND2 . 25454 1 738 . 1 1 62 62 PRO HA H 1 4.227 0.01 . 1 . . . A 62 PRO HA . 25454 1 739 . 1 1 62 62 PRO HB2 H 1 2.212 0.01 . 2 . . . A 62 PRO HB2 . 25454 1 740 . 1 1 62 62 PRO HB3 H 1 2.044 0.01 . 2 . . . A 62 PRO HB3 . 25454 1 741 . 1 1 62 62 PRO HG2 H 1 2.022 0.01 . 2 . . . A 62 PRO HG2 . 25454 1 742 . 1 1 62 62 PRO HD2 H 1 3.492 0.01 . 2 . . . A 62 PRO HD2 . 25454 1 743 . 1 1 62 62 PRO HD3 H 1 3.320 0.01 . 2 . . . A 62 PRO HD3 . 25454 1 744 . 1 1 62 62 PRO C C 13 177.511 0.40 . 1 . . . A 62 PRO C . 25454 1 745 . 1 1 62 62 PRO CA C 13 65.430 0.40 . 1 . . . A 62 PRO CA . 25454 1 746 . 1 1 62 62 PRO CB C 13 31.800 0.40 . 1 . . . A 62 PRO CB . 25454 1 747 . 1 1 62 62 PRO CG C 13 27.710 0.40 . 1 . . . A 62 PRO CG . 25454 1 748 . 1 1 62 62 PRO CD C 13 50.149 0.40 . 1 . . . A 62 PRO CD . 25454 1 749 . 1 1 63 63 GLN H H 1 8.578 0.01 . 1 . . . A 63 GLN H . 25454 1 750 . 1 1 63 63 GLN HA H 1 4.450 0.01 . 1 . . . A 63 GLN HA . 25454 1 751 . 1 1 63 63 GLN HB2 H 1 2.040 0.01 . 2 . . . A 63 GLN HB2 . 25454 1 752 . 1 1 63 63 GLN HB3 H 1 2.258 0.01 . 2 . . . A 63 GLN HB3 . 25454 1 753 . 1 1 63 63 GLN HG2 H 1 2.317 0.01 . 2 . . . A 63 GLN HG2 . 25454 1 754 . 1 1 63 63 GLN HE21 H 1 7.032 0.01 . 2 . . . A 63 GLN HE21 . 25454 1 755 . 1 1 63 63 GLN HE22 H 1 7.601 0.01 . 2 . . . A 63 GLN HE22 . 25454 1 756 . 1 1 63 63 GLN C C 13 177.766 0.40 . 1 . . . A 63 GLN C . 25454 1 757 . 1 1 63 63 GLN CA C 13 56.200 0.40 . 1 . . . A 63 GLN CA . 25454 1 758 . 1 1 63 63 GLN CB C 13 28.200 0.40 . 1 . . . A 63 GLN CB . 25454 1 759 . 1 1 63 63 GLN CG C 13 35.252 0.40 . 1 . . . A 63 GLN CG . 25454 1 760 . 1 1 63 63 GLN N N 15 114.045 0.40 . 1 . . . A 63 GLN N . 25454 1 761 . 1 1 63 63 GLN NE2 N 15 113.029 0.40 . 1 . . . A 63 GLN NE2 . 25454 1 762 . 1 1 64 64 LYS H H 1 7.628 0.01 . 1 . . . A 64 LYS H . 25454 1 763 . 1 1 64 64 LYS HA H 1 4.452 0.01 . 1 . . . A 64 LYS HA . 25454 1 764 . 1 1 64 64 LYS HB2 H 1 1.817 0.01 . 2 . . . A 64 LYS HB2 . 25454 1 765 . 1 1 64 64 LYS HB3 H 1 1.934 0.01 . 2 . . . A 64 LYS HB3 . 25454 1 766 . 1 1 64 64 LYS HG2 H 1 1.457 0.01 . 2 . . . A 64 LYS HG2 . 25454 1 767 . 1 1 64 64 LYS HG3 H 1 1.385 0.01 . 2 . . . A 64 LYS HG3 . 25454 1 768 . 1 1 64 64 LYS HD2 H 1 1.583 0.01 . 2 . . . A 64 LYS HD2 . 25454 1 769 . 1 1 64 64 LYS HE2 H 1 3.034 0.01 . 2 . . . A 64 LYS HE2 . 25454 1 770 . 1 1 64 64 LYS C C 13 176.151 0.40 . 1 . . . A 64 LYS C . 25454 1 771 . 1 1 64 64 LYS CA C 13 55.660 0.40 . 1 . . . A 64 LYS CA . 25454 1 772 . 1 1 64 64 LYS CB C 13 33.500 0.40 . 1 . . . A 64 LYS CB . 25454 1 773 . 1 1 64 64 LYS CG C 13 26.278 0.40 . 1 . . . A 64 LYS CG . 25454 1 774 . 1 1 64 64 LYS CD C 13 29.396 0.40 . 1 . . . A 64 LYS CD . 25454 1 775 . 1 1 64 64 LYS CE C 13 42.273 0.40 . 1 . . . A 64 LYS CE . 25454 1 776 . 1 1 64 64 LYS N N 15 119.960 0.40 . 1 . . . A 64 LYS N . 25454 1 777 . 1 1 65 65 ASN H H 1 8.936 0.01 . 1 . . . A 65 ASN H . 25454 1 778 . 1 1 65 65 ASN HA H 1 4.807 0.01 . 1 . . . A 65 ASN HA . 25454 1 779 . 1 1 65 65 ASN HB2 H 1 3.482 0.01 . 2 . . . A 65 ASN HB2 . 25454 1 780 . 1 1 65 65 ASN HB3 H 1 2.853 0.01 . 2 . . . A 65 ASN HB3 . 25454 1 781 . 1 1 65 65 ASN HD21 H 1 7.105 0.01 . 2 . . . A 65 ASN HD21 . 25454 1 782 . 1 1 65 65 ASN HD22 H 1 7.358 0.01 . 2 . . . A 65 ASN HD22 . 25454 1 783 . 1 1 65 65 ASN CA C 13 54.070 0.40 . 1 . . . A 65 ASN CA . 25454 1 784 . 1 1 65 65 ASN CB C 13 38.070 0.40 . 1 . . . A 65 ASN CB . 25454 1 785 . 1 1 65 65 ASN N N 15 120.139 0.40 . 1 . . . A 65 ASN N . 25454 1 786 . 1 1 65 65 ASN ND2 N 15 110.795 0.40 . 1 . . . A 65 ASN ND2 . 25454 1 787 . 1 1 66 66 LEU H H 1 8.939 0.01 . 1 . . . A 66 LEU H . 25454 1 788 . 1 1 66 66 LEU HA H 1 4.165 0.01 . 1 . . . A 66 LEU HA . 25454 1 789 . 1 1 66 66 LEU HB2 H 1 2.008 0.01 . 2 . . . A 66 LEU HB2 . 25454 1 790 . 1 1 66 66 LEU HB3 H 1 1.144 0.01 . 2 . . . A 66 LEU HB3 . 25454 1 791 . 1 1 66 66 LEU HG H 1 0.766 0.01 . 1 . . . A 66 LEU HG . 25454 1 792 . 1 1 66 66 LEU HD11 H 1 0.118 0.01 . 2 . . . A 66 LEU MD1 . 25454 1 793 . 1 1 66 66 LEU HD12 H 1 0.118 0.01 . 2 . . . A 66 LEU MD1 . 25454 1 794 . 1 1 66 66 LEU HD13 H 1 0.118 0.01 . 2 . . . A 66 LEU MD1 . 25454 1 795 . 1 1 66 66 LEU C C 13 176.948 0.40 . 1 . . . A 66 LEU C . 25454 1 796 . 1 1 66 66 LEU CA C 13 59.220 0.40 . 1 . . . A 66 LEU CA . 25454 1 797 . 1 1 66 66 LEU CB C 13 42.830 0.40 . 1 . . . A 66 LEU CB . 25454 1 798 . 1 1 66 66 LEU CG C 13 27.156 0.40 . 1 . . . A 66 LEU CG . 25454 1 799 . 1 1 66 66 LEU CD1 C 13 23.629 0.40 . 2 . . . A 66 LEU CD1 . 25454 1 800 . 1 1 66 66 LEU N N 15 129.960 0.40 . 1 . . . A 66 LEU N . 25454 1 801 . 1 1 67 67 TYR H H 1 9.409 0.01 . 1 . . . A 67 TYR H . 25454 1 802 . 1 1 67 67 TYR HA H 1 4.077 0.01 . 1 . . . A 67 TYR HA . 25454 1 803 . 1 1 67 67 TYR HB2 H 1 3.190 0.01 . 2 . . . A 67 TYR HB2 . 25454 1 804 . 1 1 67 67 TYR HB3 H 1 3.036 0.01 . 2 . . . A 67 TYR HB3 . 25454 1 805 . 1 1 67 67 TYR HD1 H 1 7.299 0.01 . 3 . . . A 67 TYR HD1 . 25454 1 806 . 1 1 67 67 TYR HE1 H 1 6.766 0.01 . 3 . . . A 67 TYR HE1 . 25454 1 807 . 1 1 67 67 TYR C C 13 178.731 0.40 . 1 . . . A 67 TYR C . 25454 1 808 . 1 1 67 67 TYR CA C 13 61.277 0.40 . 1 . . . A 67 TYR CA . 25454 1 809 . 1 1 67 67 TYR CB C 13 36.768 0.40 . 1 . . . A 67 TYR CB . 25454 1 810 . 1 1 67 67 TYR CD1 C 13 132.655 0.40 . 3 . . . A 67 TYR CD1 . 25454 1 811 . 1 1 67 67 TYR CE1 C 13 119.175 0.40 . 3 . . . A 67 TYR CE1 . 25454 1 812 . 1 1 67 67 TYR N N 15 115.770 0.40 . 1 . . . A 67 TYR N . 25454 1 813 . 1 1 68 68 THR H H 1 8.076 0.01 . 1 . . . A 68 THR H . 25454 1 814 . 1 1 68 68 THR HA H 1 4.268 0.01 . 1 . . . A 68 THR HA . 25454 1 815 . 1 1 68 68 THR HB H 1 4.571 0.01 . 1 . . . A 68 THR HB . 25454 1 816 . 1 1 68 68 THR HG21 H 1 1.528 0.01 . 1 . . . A 68 THR MG . 25454 1 817 . 1 1 68 68 THR HG22 H 1 1.528 0.01 . 1 . . . A 68 THR MG . 25454 1 818 . 1 1 68 68 THR HG23 H 1 1.528 0.01 . 1 . . . A 68 THR MG . 25454 1 819 . 1 1 68 68 THR C C 13 176.104 0.40 . 1 . . . A 68 THR C . 25454 1 820 . 1 1 68 68 THR CA C 13 64.650 0.40 . 1 . . . A 68 THR CA . 25454 1 821 . 1 1 68 68 THR CB C 13 70.268 0.40 . 1 . . . A 68 THR CB . 25454 1 822 . 1 1 68 68 THR CG2 C 13 22.570 0.40 . 1 . . . A 68 THR CG2 . 25454 1 823 . 1 1 68 68 THR N N 15 112.470 0.40 . 1 . . . A 68 THR N . 25454 1 824 . 1 1 69 69 PHE H H 1 7.969 0.01 . 1 . . . A 69 PHE H . 25454 1 825 . 1 1 69 69 PHE HA H 1 2.811 0.01 . 1 . . . A 69 PHE HA . 25454 1 826 . 1 1 69 69 PHE HB2 H 1 2.836 0.01 . 2 . . . A 69 PHE HB2 . 25454 1 827 . 1 1 69 69 PHE HB3 H 1 2.494 0.01 . 2 . . . A 69 PHE HB3 . 25454 1 828 . 1 1 69 69 PHE HD1 H 1 6.457 0.01 . 3 . . . A 69 PHE HD1 . 25454 1 829 . 1 1 69 69 PHE HD2 H 1 6.946 0.01 . 3 . . . A 69 PHE HD2 . 25454 1 830 . 1 1 69 69 PHE HE1 H 1 7.069 0.01 . 3 . . . A 69 PHE HE1 . 25454 1 831 . 1 1 69 69 PHE C C 13 176.290 0.40 . 1 . . . A 69 PHE C . 25454 1 832 . 1 1 69 69 PHE CA C 13 61.510 0.40 . 1 . . . A 69 PHE CA . 25454 1 833 . 1 1 69 69 PHE CB C 13 39.610 0.40 . 1 . . . A 69 PHE CB . 25454 1 834 . 1 1 69 69 PHE CD1 C 13 131.398 0.40 . 3 . . . A 69 PHE CD1 . 25454 1 835 . 1 1 69 69 PHE CD2 C 13 131.593 0.40 . 3 . . . A 69 PHE CD2 . 25454 1 836 . 1 1 69 69 PHE CE1 C 13 130.412 0.40 . 3 . . . A 69 PHE CE1 . 25454 1 837 . 1 1 69 69 PHE N N 15 123.660 0.40 . 1 . . . A 69 PHE N . 25454 1 838 . 1 1 70 70 LYS H H 1 6.957 0.01 . 1 . . . A 70 LYS H . 25454 1 839 . 1 1 70 70 LYS HA H 1 3.757 0.01 . 1 . . . A 70 LYS HA . 25454 1 840 . 1 1 70 70 LYS HB2 H 1 1.792 0.01 . 2 . . . A 70 LYS HB2 . 25454 1 841 . 1 1 70 70 LYS HB3 H 1 1.682 0.01 . 2 . . . A 70 LYS HB3 . 25454 1 842 . 1 1 70 70 LYS HG2 H 1 1.550 0.01 . 2 . . . A 70 LYS HG2 . 25454 1 843 . 1 1 70 70 LYS HG3 H 1 1.332 0.01 . 2 . . . A 70 LYS HG3 . 25454 1 844 . 1 1 70 70 LYS HD2 H 1 1.669 0.01 . 2 . . . A 70 LYS HD2 . 25454 1 845 . 1 1 70 70 LYS HE2 H 1 2.825 0.01 . 2 . . . A 70 LYS HE2 . 25454 1 846 . 1 1 70 70 LYS C C 13 176.269 0.40 . 1 . . . A 70 LYS C . 25454 1 847 . 1 1 70 70 LYS CA C 13 57.840 0.40 . 1 . . . A 70 LYS CA . 25454 1 848 . 1 1 70 70 LYS CB C 13 32.520 0.40 . 1 . . . A 70 LYS CB . 25454 1 849 . 1 1 70 70 LYS CG C 13 25.532 0.40 . 1 . . . A 70 LYS CG . 25454 1 850 . 1 1 70 70 LYS CD C 13 29.424 0.40 . 1 . . . A 70 LYS CD . 25454 1 851 . 1 1 70 70 LYS CE C 13 42.040 0.40 . 1 . . . A 70 LYS CE . 25454 1 852 . 1 1 70 70 LYS N N 15 113.530 0.40 . 1 . . . A 70 LYS N . 25454 1 853 . 1 1 71 71 ASN H H 1 7.488 0.01 . 1 . . . A 71 ASN H . 25454 1 854 . 1 1 71 71 ASN HA H 1 4.652 0.01 . 1 . . . A 71 ASN HA . 25454 1 855 . 1 1 71 71 ASN HB2 H 1 2.851 0.01 . 2 . . . A 71 ASN HB2 . 25454 1 856 . 1 1 71 71 ASN HB3 H 1 2.665 0.01 . 2 . . . A 71 ASN HB3 . 25454 1 857 . 1 1 71 71 ASN HD21 H 1 7.559 0.01 . 2 . . . A 71 ASN HD21 . 25454 1 858 . 1 1 71 71 ASN HD22 H 1 6.881 0.01 . 2 . . . A 71 ASN HD22 . 25454 1 859 . 1 1 71 71 ASN C C 13 175.155 0.40 . 1 . . . A 71 ASN C . 25454 1 860 . 1 1 71 71 ASN CA C 13 53.273 0.40 . 1 . . . A 71 ASN CA . 25454 1 861 . 1 1 71 71 ASN CB C 13 38.870 0.40 . 1 . . . A 71 ASN CB . 25454 1 862 . 1 1 71 71 ASN N N 15 117.360 0.40 . 1 . . . A 71 ASN N . 25454 1 863 . 1 1 71 71 ASN ND2 N 15 112.299 0.40 . 1 . . . A 71 ASN ND2 . 25454 1 864 . 1 1 72 72 GLN H H 1 7.611 0.01 . 1 . . . A 72 GLN H . 25454 1 865 . 1 1 72 72 GLN HA H 1 4.202 0.01 . 1 . . . A 72 GLN HA . 25454 1 866 . 1 1 72 72 GLN HB2 H 1 1.979 0.01 . 2 . . . A 72 GLN HB2 . 25454 1 867 . 1 1 72 72 GLN HB3 H 1 1.737 0.01 . 2 . . . A 72 GLN HB3 . 25454 1 868 . 1 1 72 72 GLN HG2 H 1 2.087 0.01 . 2 . . . A 72 GLN HG2 . 25454 1 869 . 1 1 72 72 GLN HE21 H 1 6.955 0.01 . 2 . . . A 72 GLN HE21 . 25454 1 870 . 1 1 72 72 GLN HE22 H 1 6.466 0.01 . 2 . . . A 72 GLN HE22 . 25454 1 871 . 1 1 72 72 GLN C C 13 179.467 0.40 . 1 . . . A 72 GLN C . 25454 1 872 . 1 1 72 72 GLN CA C 13 56.160 0.40 . 1 . . . A 72 GLN CA . 25454 1 873 . 1 1 72 72 GLN CB C 13 29.460 0.40 . 1 . . . A 72 GLN CB . 25454 1 874 . 1 1 72 72 GLN CG C 13 33.818 0.40 . 1 . . . A 72 GLN CG . 25454 1 875 . 1 1 72 72 GLN N N 15 119.610 0.40 . 1 . . . A 72 GLN N . 25454 1 876 . 1 1 72 72 GLN NE2 N 15 113.436 0.40 . 1 . . . A 72 GLN NE2 . 25454 1 877 . 1 1 73 73 ALA H H 1 8.072 0.01 . 1 . . . A 73 ALA H . 25454 1 878 . 1 1 73 73 ALA HA H 1 4.198 0.01 . 1 . . . A 73 ALA HA . 25454 1 879 . 1 1 73 73 ALA HB1 H 1 1.248 0.01 . 1 . . . A 73 ALA MB . 25454 1 880 . 1 1 73 73 ALA HB2 H 1 1.248 0.01 . 1 . . . A 73 ALA MB . 25454 1 881 . 1 1 73 73 ALA HB3 H 1 1.248 0.01 . 1 . . . A 73 ALA MB . 25454 1 882 . 1 1 73 73 ALA C C 13 177.907 0.40 . 1 . . . A 73 ALA C . 25454 1 883 . 1 1 73 73 ALA CA C 13 52.761 0.40 . 1 . . . A 73 ALA CA . 25454 1 884 . 1 1 73 73 ALA CB C 13 19.028 0.40 . 1 . . . A 73 ALA CB . 25454 1 885 . 1 1 73 73 ALA N N 15 125.130 0.40 . 1 . . . A 73 ALA N . 25454 1 886 . 1 1 74 74 SER H H 1 8.114 0.01 . 1 . . . A 74 SER H . 25454 1 887 . 1 1 74 74 SER HA H 1 4.344 0.01 . 1 . . . A 74 SER HA . 25454 1 888 . 1 1 74 74 SER HB2 H 1 3.852 0.01 . 2 . . . A 74 SER HB2 . 25454 1 889 . 1 1 74 74 SER HB3 H 1 3.802 0.01 . 2 . . . A 74 SER HB3 . 25454 1 890 . 1 1 74 74 SER C C 13 174.562 0.40 . 1 . . . A 74 SER C . 25454 1 891 . 1 1 74 74 SER CA C 13 58.640 0.40 . 1 . . . A 74 SER CA . 25454 1 892 . 1 1 74 74 SER CB C 13 63.660 0.40 . 1 . . . A 74 SER CB . 25454 1 893 . 1 1 74 74 SER N N 15 115.100 0.40 . 1 . . . A 74 SER N . 25454 1 894 . 1 1 75 75 ASN H H 1 8.283 0.01 . 1 . . . A 75 ASN H . 25454 1 895 . 1 1 75 75 ASN HA H 1 4.698 0.01 . 1 . . . A 75 ASN HA . 25454 1 896 . 1 1 75 75 ASN HB2 H 1 2.794 0.01 . 2 . . . A 75 ASN HB2 . 25454 1 897 . 1 1 75 75 ASN HB3 H 1 2.699 0.01 . 2 . . . A 75 ASN HB3 . 25454 1 898 . 1 1 75 75 ASN HD21 H 1 6.797 0.01 . 2 . . . A 75 ASN HD21 . 25454 1 899 . 1 1 75 75 ASN HD22 H 1 7.506 0.01 . 2 . . . A 75 ASN HD22 . 25454 1 900 . 1 1 75 75 ASN C C 13 174.790 0.40 . 1 . . . A 75 ASN C . 25454 1 901 . 1 1 75 75 ASN CA C 13 53.340 0.40 . 1 . . . A 75 ASN CA . 25454 1 902 . 1 1 75 75 ASN CB C 13 38.980 0.40 . 1 . . . A 75 ASN CB . 25454 1 903 . 1 1 75 75 ASN N N 15 120.950 0.40 . 1 . . . A 75 ASN N . 25454 1 904 . 1 1 75 75 ASN ND2 N 15 113.436 0.40 . 1 . . . A 75 ASN ND2 . 25454 1 905 . 1 1 76 76 ASP H H 1 8.201 0.01 . 1 . . . A 76 ASP H . 25454 1 906 . 1 1 76 76 ASP HA H 1 4.603 0.01 . 1 . . . A 76 ASP HA . 25454 1 907 . 1 1 76 76 ASP HB2 H 1 2.715 0.01 . 2 . . . A 76 ASP HB2 . 25454 1 908 . 1 1 76 76 ASP HB3 H 1 2.581 0.01 . 2 . . . A 76 ASP HB3 . 25454 1 909 . 1 1 76 76 ASP C C 13 175.588 0.40 . 1 . . . A 76 ASP C . 25454 1 910 . 1 1 76 76 ASP CA C 13 53.940 0.40 . 1 . . . A 76 ASP CA . 25454 1 911 . 1 1 76 76 ASP CB C 13 40.510 0.40 . 1 . . . A 76 ASP CB . 25454 1 912 . 1 1 76 76 ASP N N 15 120.550 0.40 . 1 . . . A 76 ASP N . 25454 1 913 . 1 1 77 77 LEU H H 1 8.021 0.01 . 1 . . . A 77 LEU H . 25454 1 914 . 1 1 77 77 LEU HA H 1 4.600 0.01 . 1 . . . A 77 LEU HA . 25454 1 915 . 1 1 77 77 LEU HB2 H 1 1.624 0.01 . 2 . . . A 77 LEU HB2 . 25454 1 916 . 1 1 77 77 LEU HB3 H 1 1.542 0.01 . 2 . . . A 77 LEU HB3 . 25454 1 917 . 1 1 77 77 LEU HG H 1 1.639 0.01 . 1 . . . A 77 LEU HG . 25454 1 918 . 1 1 77 77 LEU HD11 H 1 0.925 0.01 . 2 . . . A 77 LEU MD1 . 25454 1 919 . 1 1 77 77 LEU HD12 H 1 0.925 0.01 . 2 . . . A 77 LEU MD1 . 25454 1 920 . 1 1 77 77 LEU HD13 H 1 0.925 0.01 . 2 . . . A 77 LEU MD1 . 25454 1 921 . 1 1 77 77 LEU HD21 H 1 0.892 0.01 . 2 . . . A 77 LEU MD2 . 25454 1 922 . 1 1 77 77 LEU HD22 H 1 0.892 0.01 . 2 . . . A 77 LEU MD2 . 25454 1 923 . 1 1 77 77 LEU HD23 H 1 0.892 0.01 . 2 . . . A 77 LEU MD2 . 25454 1 924 . 1 1 77 77 LEU CA C 13 52.980 0.40 . 1 . . . A 77 LEU CA . 25454 1 925 . 1 1 77 77 LEU CB C 13 41.850 0.40 . 1 . . . A 77 LEU CB . 25454 1 926 . 1 1 77 77 LEU CG C 13 26.983 0.40 . 1 . . . A 77 LEU CG . 25454 1 927 . 1 1 77 77 LEU CD1 C 13 25.249 0.40 . 2 . . . A 77 LEU CD1 . 25454 1 928 . 1 1 77 77 LEU CD2 C 13 23.381 0.40 . 2 . . . A 77 LEU CD2 . 25454 1 929 . 1 1 77 77 LEU N N 15 123.780 0.40 . 1 . . . A 77 LEU N . 25454 1 930 . 1 1 78 78 PRO HA H 1 4.417 0.01 . 1 . . . A 78 PRO HA . 25454 1 931 . 1 1 78 78 PRO HB2 H 1 2.252 0.01 . 2 . . . A 78 PRO HB2 . 25454 1 932 . 1 1 78 78 PRO HB3 H 1 1.969 0.01 . 2 . . . A 78 PRO HB3 . 25454 1 933 . 1 1 78 78 PRO HG2 H 1 2.002 0.01 . 2 . . . A 78 PRO HG2 . 25454 1 934 . 1 1 78 78 PRO HD2 H 1 3.794 0.01 . 2 . . . A 78 PRO HD2 . 25454 1 935 . 1 1 78 78 PRO HD3 H 1 3.640 0.01 . 2 . . . A 78 PRO HD3 . 25454 1 936 . 1 1 78 78 PRO C C 13 176.058 0.40 . 1 . . . A 78 PRO C . 25454 1 937 . 1 1 78 78 PRO CA C 13 63.260 0.40 . 1 . . . A 78 PRO CA . 25454 1 938 . 1 1 78 78 PRO CB C 13 31.956 0.40 . 1 . . . A 78 PRO CB . 25454 1 939 . 1 1 78 78 PRO CG C 13 27.314 0.40 . 1 . . . A 78 PRO CG . 25454 1 940 . 1 1 78 78 PRO CD C 13 50.602 0.40 . 1 . . . A 78 PRO CD . 25454 1 941 . 1 1 79 79 ASN H H 1 7.988 0.01 . 1 . . . A 79 ASN H . 25454 1 942 . 1 1 79 79 ASN HA H 1 4.437 0.01 . 1 . . . A 79 ASN HA . 25454 1 943 . 1 1 79 79 ASN HB2 H 1 2.727 0.01 . 2 . . . A 79 ASN HB2 . 25454 1 944 . 1 1 79 79 ASN HB3 H 1 2.673 0.01 . 2 . . . A 79 ASN HB3 . 25454 1 945 . 1 1 79 79 ASN CA C 13 54.780 0.40 . 1 . . . A 79 ASN CA . 25454 1 946 . 1 1 79 79 ASN CB C 13 40.530 0.40 . 1 . . . A 79 ASN CB . 25454 1 947 . 1 1 79 79 ASN N N 15 124.600 0.40 . 1 . . . A 79 ASN N . 25454 1 stop_ save_