data_27349 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27349 _Entry.Title ; 1H, 13C, 15N chemical shift assignments of initiation factor 1 from Clostridium difficile ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-26 _Entry.Accession_date 2017-12-26 _Entry.Last_release_date 2017-12-26 _Entry.Original_release_date 2017-12-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yonghong Zhang . . . . 27349 2 Faith Aguilar . . . . 27349 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27349 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 300 27349 '15N chemical shifts' 74 27349 '1H chemical shifts' 483 27349 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-04-25 2017-12-26 update BMRB 'update entry citation' 27349 1 . . 2019-01-10 2017-12-26 original author 'original release' 27349 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27349 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30370502 _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N chemical shift assignments of initiation factor 1 from Clostridium difficile ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _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 91 _Citation.Page_last 95 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Faith Aguilar F. . . . 27349 1 2 Niaz Banaei N. . . . 27349 1 3 Yonghong Zhang Y. . . . 27349 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27349 _Assembly.ID 1 _Assembly.Name 'C. difficile IF1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C. difficile IF1' 1 $C_difficile_IF1 A . yes native no no . . . 27349 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C_difficile_IF1 _Entity.Sf_category entity _Entity.Sf_framecode C_difficile_IF1 _Entity.Entry_ID 27349 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C_difficile_IF1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASMAKKDVIELEGTVSEAL PNAMFKVKLENGHEILCHIS GKLRMNFIRILEGDKVNVEL SPYDLTRGRITWRKKLEHHH HHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Sequence numbering starts from -2, e.g. -2, -1, 0, 1, 2, ...' _Entity.Polymer_author_seq_details ; Residues- MAS at the very beginning and Residues-LEHHHHHH at the end represent non-native residues because of subcloning and affinity tag. ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 -2 MET . 27349 1 2 -1 ALA . 27349 1 3 0 SER . 27349 1 4 1 MET . 27349 1 5 2 ALA . 27349 1 6 3 LYS . 27349 1 7 4 LYS . 27349 1 8 5 ASP . 27349 1 9 6 VAL . 27349 1 10 7 ILE . 27349 1 11 8 GLU . 27349 1 12 9 LEU . 27349 1 13 10 GLU . 27349 1 14 11 GLY . 27349 1 15 12 THR . 27349 1 16 13 VAL . 27349 1 17 14 SER . 27349 1 18 15 GLU . 27349 1 19 16 ALA . 27349 1 20 17 LEU . 27349 1 21 18 PRO . 27349 1 22 19 ASN . 27349 1 23 20 ALA . 27349 1 24 21 MET . 27349 1 25 22 PHE . 27349 1 26 23 LYS . 27349 1 27 24 VAL . 27349 1 28 25 LYS . 27349 1 29 26 LEU . 27349 1 30 27 GLU . 27349 1 31 28 ASN . 27349 1 32 29 GLY . 27349 1 33 30 HIS . 27349 1 34 31 GLU . 27349 1 35 32 ILE . 27349 1 36 33 LEU . 27349 1 37 34 CYS . 27349 1 38 35 HIS . 27349 1 39 36 ILE . 27349 1 40 37 SER . 27349 1 41 38 GLY . 27349 1 42 39 LYS . 27349 1 43 40 LEU . 27349 1 44 41 ARG . 27349 1 45 42 MET . 27349 1 46 43 ASN . 27349 1 47 44 PHE . 27349 1 48 45 ILE . 27349 1 49 46 ARG . 27349 1 50 47 ILE . 27349 1 51 48 LEU . 27349 1 52 49 GLU . 27349 1 53 50 GLY . 27349 1 54 51 ASP . 27349 1 55 52 LYS . 27349 1 56 53 VAL . 27349 1 57 54 ASN . 27349 1 58 55 VAL . 27349 1 59 56 GLU . 27349 1 60 57 LEU . 27349 1 61 58 SER . 27349 1 62 59 PRO . 27349 1 63 60 TYR . 27349 1 64 61 ASP . 27349 1 65 62 LEU . 27349 1 66 63 THR . 27349 1 67 64 ARG . 27349 1 68 65 GLY . 27349 1 69 66 ARG . 27349 1 70 67 ILE . 27349 1 71 68 THR . 27349 1 72 69 TRP . 27349 1 73 70 ARG . 27349 1 74 71 LYS . 27349 1 75 72 LYS . 27349 1 76 73 LEU . 27349 1 77 74 GLU . 27349 1 78 75 HIS . 27349 1 79 76 HIS . 27349 1 80 77 HIS . 27349 1 81 78 HIS . 27349 1 82 79 HIS . 27349 1 83 80 HIS . 27349 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27349 1 . ALA 2 2 27349 1 . SER 3 3 27349 1 . MET 4 4 27349 1 . ALA 5 5 27349 1 . LYS 6 6 27349 1 . LYS 7 7 27349 1 . ASP 8 8 27349 1 . VAL 9 9 27349 1 . ILE 10 10 27349 1 . GLU 11 11 27349 1 . LEU 12 12 27349 1 . GLU 13 13 27349 1 . GLY 14 14 27349 1 . THR 15 15 27349 1 . VAL 16 16 27349 1 . SER 17 17 27349 1 . GLU 18 18 27349 1 . ALA 19 19 27349 1 . LEU 20 20 27349 1 . PRO 21 21 27349 1 . ASN 22 22 27349 1 . ALA 23 23 27349 1 . MET 24 24 27349 1 . PHE 25 25 27349 1 . LYS 26 26 27349 1 . VAL 27 27 27349 1 . LYS 28 28 27349 1 . LEU 29 29 27349 1 . GLU 30 30 27349 1 . ASN 31 31 27349 1 . GLY 32 32 27349 1 . HIS 33 33 27349 1 . GLU 34 34 27349 1 . ILE 35 35 27349 1 . LEU 36 36 27349 1 . CYS 37 37 27349 1 . HIS 38 38 27349 1 . ILE 39 39 27349 1 . SER 40 40 27349 1 . GLY 41 41 27349 1 . LYS 42 42 27349 1 . LEU 43 43 27349 1 . ARG 44 44 27349 1 . MET 45 45 27349 1 . ASN 46 46 27349 1 . PHE 47 47 27349 1 . ILE 48 48 27349 1 . ARG 49 49 27349 1 . ILE 50 50 27349 1 . LEU 51 51 27349 1 . GLU 52 52 27349 1 . GLY 53 53 27349 1 . ASP 54 54 27349 1 . LYS 55 55 27349 1 . VAL 56 56 27349 1 . ASN 57 57 27349 1 . VAL 58 58 27349 1 . GLU 59 59 27349 1 . LEU 60 60 27349 1 . SER 61 61 27349 1 . PRO 62 62 27349 1 . TYR 63 63 27349 1 . ASP 64 64 27349 1 . LEU 65 65 27349 1 . THR 66 66 27349 1 . ARG 67 67 27349 1 . GLY 68 68 27349 1 . ARG 69 69 27349 1 . ILE 70 70 27349 1 . THR 71 71 27349 1 . TRP 72 72 27349 1 . ARG 73 73 27349 1 . LYS 74 74 27349 1 . LYS 75 75 27349 1 . LEU 76 76 27349 1 . GLU 77 77 27349 1 . HIS 78 78 27349 1 . HIS 79 79 27349 1 . HIS 80 80 27349 1 . HIS 81 81 27349 1 . HIS 82 82 27349 1 . HIS 83 83 27349 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 27349 _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 $C_difficile_IF1 . 1496 organism . 'Clostridium difficile' 'Clostridium difficile' . . Bacteria . Clostridium difficile . . . . . . . . . . . . . 27349 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 27349 _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 $C_difficile_IF1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET24b . . . 27349 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27349 _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 'C. difficile IF1' '[U-99% 15N]' . . 1 $C_difficile_IF1 . . 1 . . mM . . . . 27349 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27349 _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 'C. difficile IF1' '[U-99% 13C; U-99% 15N]' . . 1 $C_difficile_IF1 . . 1 . . mM . . . . 27349 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27349 _Sample.ID 3 _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 'C. difficile IF1' '[U-99% 13C; U-99% 15N]' . . 1 $C_difficile_IF1 . . 1 . . mM . . . . 27349 3 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 27349 _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' 0.12 . M 27349 1 pH 5.1 . pH 27349 1 pressure 1 . atm 27349 1 temperature 298 . K 27349 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27349 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27349 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27349 1 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 27349 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27349 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27349 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27349 _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 AMX . 600 . . . 27349 1 2 spectrometer_2 Bruker Avance . 600 . . . 27349 1 3 spectrometer_3 Bruker Avance . 700 . . . 27349 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 27349 _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 . . . . . . . . . . . . . . . . . . . . . 27349 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 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 27349 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27349 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27349 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27349 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 27349 _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' . . . 27349 1 2 '3D CBCA(CO)NH' . . . 27349 1 3 '3D HNCACB' . . . 27349 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 MET H H 1 8.595 0.00 . 1 . . . . . 1 MET H . 27349 1 2 . 1 1 4 4 MET HA H 1 4.563 0.00 . 1 . . . . . 1 MET HA . 27349 1 3 . 1 1 4 4 MET HB2 H 1 2.095 0.00 . 2 . . . . . 1 MET HB2 . 27349 1 4 . 1 1 4 4 MET HG2 H 1 2.622 0.00 . 2 . . . . . 1 MET HG2 . 27349 1 5 . 1 1 4 4 MET HE1 H 1 2.087 0.00 . 1 . . . . . 1 MET HE1 . 27349 1 6 . 1 1 4 4 MET HE2 H 1 2.087 0.00 . 1 . . . . . 1 MET HE1 . 27349 1 7 . 1 1 4 4 MET HE3 H 1 2.087 0.00 . 1 . . . . . 1 MET HE1 . 27349 1 8 . 1 1 4 4 MET C C 13 175.637 0.00 . 1 . . . . . 1 MET C . 27349 1 9 . 1 1 4 4 MET CA C 13 55.920 0.00 . 1 . . . . . 1 MET CA . 27349 1 10 . 1 1 4 4 MET CB C 13 33.120 0.00 . 1 . . . . . 1 MET CB . 27349 1 11 . 1 1 4 4 MET CG C 13 31.802 0.00 . 1 . . . . . 1 MET CG . 27349 1 12 . 1 1 4 4 MET CE C 13 16.886 0.00 . 1 . . . . . 1 MET CE . 27349 1 13 . 1 1 4 4 MET N N 15 123.108 0.00 . 1 . . . . . 1 MET N . 27349 1 14 . 1 1 5 5 ALA H H 1 8.476 0.00 . 1 . . . . . 2 ALA H . 27349 1 15 . 1 1 5 5 ALA HA H 1 4.335 0.00 . 1 . . . . . 2 ALA HA . 27349 1 16 . 1 1 5 5 ALA HB1 H 1 1.379 0.02 . 1 . . . . . 2 ALA HB1 . 27349 1 17 . 1 1 5 5 ALA HB2 H 1 1.379 0.02 . 1 . . . . . 2 ALA HB1 . 27349 1 18 . 1 1 5 5 ALA HB3 H 1 1.379 0.02 . 1 . . . . . 2 ALA HB1 . 27349 1 19 . 1 1 5 5 ALA C C 13 177.594 0.00 . 1 . . . . . 2 ALA C . 27349 1 20 . 1 1 5 5 ALA CA C 13 52.631 0.01 . 1 . . . . . 2 ALA CA . 27349 1 21 . 1 1 5 5 ALA CB C 13 19.197 0.06 . 1 . . . . . 2 ALA CB . 27349 1 22 . 1 1 5 5 ALA N N 15 126.309 0.07 . 1 . . . . . 2 ALA N . 27349 1 23 . 1 1 6 6 LYS H H 1 8.355 0.00 . 1 . . . . . 3 LYS H . 27349 1 24 . 1 1 6 6 LYS HA H 1 4.293 0.02 . 1 . . . . . 3 LYS HA . 27349 1 25 . 1 1 6 6 LYS HB2 H 1 1.818 0.00 . 2 . . . . . 3 LYS HB2 . 27349 1 26 . 1 1 6 6 LYS HE2 H 1 2.985 0.00 . 2 . . . . . 3 LYS HE2 . 27349 1 27 . 1 1 6 6 LYS C C 13 176.551 0.00 . 1 . . . . . 3 LYS C . 27349 1 28 . 1 1 6 6 LYS CA C 13 56.326 0.16 . 1 . . . . . 3 LYS CA . 27349 1 29 . 1 1 6 6 LYS CB C 13 33.034 0.07 . 1 . . . . . 3 LYS CB . 27349 1 30 . 1 1 6 6 LYS N N 15 121.358 0.03 . 1 . . . . . 3 LYS N . 27349 1 31 . 1 1 7 7 LYS H H 1 8.381 0.00 . 1 . . . . . 4 LYS H . 27349 1 32 . 1 1 7 7 LYS HA H 1 4.370 0.02 . 1 . . . . . 4 LYS HA . 27349 1 33 . 1 1 7 7 LYS HB2 H 1 1.831 0.02 . 2 . . . . . 4 LYS HB2 . 27349 1 34 . 1 1 7 7 LYS HB3 H 1 1.811 0.00 . 2 . . . . . 4 LYS HB3 . 27349 1 35 . 1 1 7 7 LYS HE2 H 1 2.981 0.00 . 2 . . . . . 4 LYS HE2 . 27349 1 36 . 1 1 7 7 LYS C C 13 176.096 0.00 . 1 . . . . . 4 LYS C . 27349 1 37 . 1 1 7 7 LYS CA C 13 56.248 0.11 . 1 . . . . . 4 LYS CA . 27349 1 38 . 1 1 7 7 LYS CB C 13 33.186 0.08 . 1 . . . . . 4 LYS CB . 27349 1 39 . 1 1 7 7 LYS N N 15 122.408 0.03 . 1 . . . . . 4 LYS N . 27349 1 40 . 1 1 8 8 ASP H H 1 8.436 0.00 . 1 . . . . . 5 ASP H . 27349 1 41 . 1 1 8 8 ASP HA H 1 4.638 0.02 . 1 . . . . . 5 ASP HA . 27349 1 42 . 1 1 8 8 ASP HB2 H 1 2.717 0.01 . 2 . . . . . 5 ASP HB2 . 27349 1 43 . 1 1 8 8 ASP HB3 H 1 2.739 0.00 . 2 . . . . . 5 ASP HB3 . 27349 1 44 . 1 1 8 8 ASP C C 13 175.262 0.00 . 1 . . . . . 5 ASP C . 27349 1 45 . 1 1 8 8 ASP CA C 13 54.524 0.10 . 1 . . . . . 5 ASP CA . 27349 1 46 . 1 1 8 8 ASP CB C 13 41.045 0.04 . 1 . . . . . 5 ASP CB . 27349 1 47 . 1 1 8 8 ASP N N 15 121.296 0.04 . 1 . . . . . 5 ASP N . 27349 1 48 . 1 1 9 9 VAL H H 1 7.753 0.00 . 1 . . . . . 6 VAL H . 27349 1 49 . 1 1 9 9 VAL HA H 1 4.553 0.01 . 1 . . . . . 6 VAL HA . 27349 1 50 . 1 1 9 9 VAL HB H 1 2.021 0.02 . 1 . . . . . 6 VAL HB . 27349 1 51 . 1 1 9 9 VAL HG11 H 1 0.855 0.02 . 2 . . . . . 6 VAL HG11 . 27349 1 52 . 1 1 9 9 VAL HG12 H 1 0.855 0.02 . 2 . . . . . 6 VAL HG11 . 27349 1 53 . 1 1 9 9 VAL HG13 H 1 0.855 0.02 . 2 . . . . . 6 VAL HG11 . 27349 1 54 . 1 1 9 9 VAL HG21 H 1 0.847 0.00 . 2 . . . . . 6 VAL HG21 . 27349 1 55 . 1 1 9 9 VAL HG22 H 1 0.847 0.00 . 2 . . . . . 6 VAL HG21 . 27349 1 56 . 1 1 9 9 VAL HG23 H 1 0.847 0.00 . 2 . . . . . 6 VAL HG21 . 27349 1 57 . 1 1 9 9 VAL C C 13 175.028 0.00 . 1 . . . . . 6 VAL C . 27349 1 58 . 1 1 9 9 VAL CA C 13 61.038 0.21 . 1 . . . . . 6 VAL CA . 27349 1 59 . 1 1 9 9 VAL CB C 13 34.763 0.15 . 1 . . . . . 6 VAL CB . 27349 1 60 . 1 1 9 9 VAL CG1 C 13 19.736 0.06 . 2 . . . . . 6 VAL CG1 . 27349 1 61 . 1 1 9 9 VAL CG2 C 13 21.574 0.08 . 2 . . . . . 6 VAL CG2 . 27349 1 62 . 1 1 9 9 VAL N N 15 115.777 0.02 . 1 . . . . . 6 VAL N . 27349 1 63 . 1 1 10 10 ILE H H 1 8.788 0.01 . 1 . . . . . 7 ILE H . 27349 1 64 . 1 1 10 10 ILE HA H 1 4.368 0.02 . 1 . . . . . 7 ILE HA . 27349 1 65 . 1 1 10 10 ILE HB H 1 1.740 0.01 . 1 . . . . . 7 ILE HB . 27349 1 66 . 1 1 10 10 ILE HG12 H 1 1.392 0.01 . 2 . . . . . 7 ILE HG12 . 27349 1 67 . 1 1 10 10 ILE HG13 H 1 0.967 0.00 . 2 . . . . . 7 ILE HG13 . 27349 1 68 . 1 1 10 10 ILE HG21 H 1 0.843 0.00 . 1 . . . . . 7 ILE HG21 . 27349 1 69 . 1 1 10 10 ILE HG22 H 1 0.849 0.00 . 1 . . . . . 7 ILE HG22 . 27349 1 70 . 1 1 10 10 ILE HG23 H 1 0.840 0.00 . 1 . . . . . 7 ILE HG23 . 27349 1 71 . 1 1 10 10 ILE HD11 H 1 0.770 0.00 . 1 . . . . . 7 ILE HD11 . 27349 1 72 . 1 1 10 10 ILE HD12 H 1 0.760 0.00 . 1 . . . . . 7 ILE HD12 . 27349 1 73 . 1 1 10 10 ILE HD13 H 1 0.767 0.00 . 1 . . . . . 7 ILE HD13 . 27349 1 74 . 1 1 10 10 ILE C C 13 174.343 0.00 . 1 . . . . . 7 ILE C . 27349 1 75 . 1 1 10 10 ILE CA C 13 60.333 0.20 . 1 . . . . . 7 ILE CA . 27349 1 76 . 1 1 10 10 ILE CB C 13 40.417 0.03 . 1 . . . . . 7 ILE CB . 27349 1 77 . 1 1 10 10 ILE CG1 C 13 27.173 0.07 . 1 . . . . . 7 ILE CG1 . 27349 1 78 . 1 1 10 10 ILE CG2 C 13 17.579 0.05 . 1 . . . . . 7 ILE CG2 . 27349 1 79 . 1 1 10 10 ILE CD1 C 13 13.386 0.01 . 1 . . . . . 7 ILE CD1 . 27349 1 80 . 1 1 10 10 ILE N N 15 123.314 0.02 . 1 . . . . . 7 ILE N . 27349 1 81 . 1 1 11 11 GLU H H 1 8.266 0.01 . 1 . . . . . 8 GLU H . 27349 1 82 . 1 1 11 11 GLU HA H 1 5.396 0.02 . 1 . . . . . 8 GLU HA . 27349 1 83 . 1 1 11 11 GLU HB2 H 1 1.890 0.00 . 2 . . . . . 8 GLU HB2 . 27349 1 84 . 1 1 11 11 GLU HB3 H 1 2.147 0.00 . 2 . . . . . 8 GLU HB3 . 27349 1 85 . 1 1 11 11 GLU HG2 H 1 2.250 0.01 . 2 . . . . . 8 GLU HG2 . 27349 1 86 . 1 1 11 11 GLU HG3 H 1 2.324 0.00 . 2 . . . . . 8 GLU HG3 . 27349 1 87 . 1 1 11 11 GLU C C 13 175.745 0.00 . 1 . . . . . 8 GLU C . 27349 1 88 . 1 1 11 11 GLU CA C 13 54.214 0.14 . 1 . . . . . 8 GLU CA . 27349 1 89 . 1 1 11 11 GLU CB C 13 30.504 0.04 . 1 . . . . . 8 GLU CB . 27349 1 90 . 1 1 11 11 GLU CG C 13 34.590 0.00 . 1 . . . . . 8 GLU CG . 27349 1 91 . 1 1 11 11 GLU N N 15 123.459 0.06 . 1 . . . . . 8 GLU N . 27349 1 92 . 1 1 12 12 LEU H H 1 9.059 0.00 . 1 . . . . . 9 LEU H . 27349 1 93 . 1 1 12 12 LEU HA H 1 4.751 0.01 . 1 . . . . . 9 LEU HA . 27349 1 94 . 1 1 12 12 LEU HB2 H 1 1.439 0.01 . 2 . . . . . 9 LEU HB2 . 27349 1 95 . 1 1 12 12 LEU HB3 H 1 1.652 0.01 . 2 . . . . . 9 LEU HB3 . 27349 1 96 . 1 1 12 12 LEU HG H 1 1.475 0.01 . 1 . . . . . 9 LEU HG . 27349 1 97 . 1 1 12 12 LEU HD11 H 1 0.841 0.00 . 2 . . . . . 9 LEU HD11 . 27349 1 98 . 1 1 12 12 LEU HD12 H 1 0.841 0.00 . 2 . . . . . 9 LEU HD11 . 27349 1 99 . 1 1 12 12 LEU HD13 H 1 0.841 0.00 . 2 . . . . . 9 LEU HD11 . 27349 1 100 . 1 1 12 12 LEU HD21 H 1 0.944 0.01 . 2 . . . . . 9 LEU HD21 . 27349 1 101 . 1 1 12 12 LEU HD22 H 1 0.944 0.01 . 2 . . . . . 9 LEU HD21 . 27349 1 102 . 1 1 12 12 LEU HD23 H 1 0.944 0.01 . 2 . . . . . 9 LEU HD21 . 27349 1 103 . 1 1 12 12 LEU C C 13 174.823 0.00 . 1 . . . . . 9 LEU C . 27349 1 104 . 1 1 12 12 LEU CA C 13 53.448 0.13 . 1 . . . . . 9 LEU CA . 27349 1 105 . 1 1 12 12 LEU CB C 13 47.028 0.02 . 1 . . . . . 9 LEU CB . 27349 1 106 . 1 1 12 12 LEU CG C 13 27.238 0.00 . 1 . . . . . 9 LEU CG . 27349 1 107 . 1 1 12 12 LEU CD1 C 13 26.744 0.00 . 2 . . . . . 9 LEU CD1 . 27349 1 108 . 1 1 12 12 LEU CD2 C 13 23.643 0.00 . 2 . . . . . 9 LEU CD2 . 27349 1 109 . 1 1 12 12 LEU N N 15 125.039 0.04 . 1 . . . . . 9 LEU N . 27349 1 110 . 1 1 13 13 GLU H H 1 8.555 0.00 . 1 . . . . . 10 GLU H . 27349 1 111 . 1 1 13 13 GLU HA H 1 5.135 0.01 . 1 . . . . . 10 GLU HA . 27349 1 112 . 1 1 13 13 GLU HB2 H 1 2.004 0.01 . 2 . . . . . 10 GLU HB2 . 27349 1 113 . 1 1 13 13 GLU HB3 H 1 2.042 0.00 . 2 . . . . . 10 GLU HB3 . 27349 1 114 . 1 1 13 13 GLU HG2 H 1 2.279 0.00 . 2 . . . . . 10 GLU HG2 . 27349 1 115 . 1 1 13 13 GLU HG3 H 1 2.296 0.00 . 2 . . . . . 10 GLU HG3 . 27349 1 116 . 1 1 13 13 GLU C C 13 176.039 0.00 . 1 . . . . . 10 GLU C . 27349 1 117 . 1 1 13 13 GLU CA C 13 55.096 0.14 . 1 . . . . . 10 GLU CA . 27349 1 118 . 1 1 13 13 GLU CB C 13 31.752 0.01 . 1 . . . . . 10 GLU CB . 27349 1 119 . 1 1 13 13 GLU CG C 13 36.750 0.00 . 1 . . . . . 10 GLU CG . 27349 1 120 . 1 1 13 13 GLU N N 15 120.061 0.03 . 1 . . . . . 10 GLU N . 27349 1 121 . 1 1 14 14 GLY H H 1 8.694 0.01 . 1 . . . . . 11 GLY H . 27349 1 122 . 1 1 14 14 GLY HA2 H 1 3.410 0.02 . 2 . . . . . 11 GLY HA2 . 27349 1 123 . 1 1 14 14 GLY HA3 H 1 4.761 0.01 . 2 . . . . . 11 GLY HA3 . 27349 1 124 . 1 1 14 14 GLY C C 13 171.436 0.00 . 1 . . . . . 11 GLY C . 27349 1 125 . 1 1 14 14 GLY CA C 13 45.337 0.05 . 1 . . . . . 11 GLY CA . 27349 1 126 . 1 1 14 14 GLY N N 15 107.806 0.02 . 1 . . . . . 11 GLY N . 27349 1 127 . 1 1 15 15 THR H H 1 8.419 0.00 . 1 . . . . . 12 THR H . 27349 1 128 . 1 1 15 15 THR HA H 1 5.197 0.01 . 1 . . . . . 12 THR HA . 27349 1 129 . 1 1 15 15 THR HB H 1 3.822 0.02 . 1 . . . . . 12 THR HB . 27349 1 130 . 1 1 15 15 THR HG21 H 1 1.073 0.01 . 1 . . . . . 12 THR HG21 . 27349 1 131 . 1 1 15 15 THR HG22 H 1 1.095 0.00 . 1 . . . . . 12 THR HG22 . 27349 1 132 . 1 1 15 15 THR HG23 H 1 1.101 0.00 . 1 . . . . . 12 THR HG23 . 27349 1 133 . 1 1 15 15 THR C C 13 174.604 0.00 . 1 . . . . . 12 THR C . 27349 1 134 . 1 1 15 15 THR CA C 13 60.711 0.07 . 1 . . . . . 12 THR CA . 27349 1 135 . 1 1 15 15 THR CB C 13 71.177 0.12 . 1 . . . . . 12 THR CB . 27349 1 136 . 1 1 15 15 THR CG2 C 13 20.791 0.00 . 1 . . . . . 12 THR CG2 . 27349 1 137 . 1 1 15 15 THR N N 15 115.436 0.05 . 1 . . . . . 12 THR N . 27349 1 138 . 1 1 16 16 VAL H H 1 9.210 0.00 . 1 . . . . . 13 VAL H . 27349 1 139 . 1 1 16 16 VAL HA H 1 3.953 0.01 . 1 . . . . . 13 VAL HA . 27349 1 140 . 1 1 16 16 VAL HB H 1 2.318 0.01 . 1 . . . . . 13 VAL HB . 27349 1 141 . 1 1 16 16 VAL HG11 H 1 0.737 0.01 . 2 . . . . . 13 VAL HG11 . 27349 1 142 . 1 1 16 16 VAL HG12 H 1 0.716 0.00 . 2 . . . . . 13 VAL HG12 . 27349 1 143 . 1 1 16 16 VAL HG13 H 1 0.721 0.00 . 2 . . . . . 13 VAL HG13 . 27349 1 144 . 1 1 16 16 VAL HG21 H 1 0.925 0.02 . 2 . . . . . 13 VAL HG21 . 27349 1 145 . 1 1 16 16 VAL HG22 H 1 0.902 0.01 . 2 . . . . . 13 VAL HG22 . 27349 1 146 . 1 1 16 16 VAL HG23 H 1 0.909 0.00 . 2 . . . . . 13 VAL HG23 . 27349 1 147 . 1 1 16 16 VAL C C 13 175.767 0.00 . 1 . . . . . 13 VAL C . 27349 1 148 . 1 1 16 16 VAL CA C 13 64.566 0.10 . 1 . . . . . 13 VAL CA . 27349 1 149 . 1 1 16 16 VAL CB C 13 31.385 0.04 . 1 . . . . . 13 VAL CB . 27349 1 150 . 1 1 16 16 VAL CG1 C 13 22.424 0.02 . 2 . . . . . 13 VAL CG1 . 27349 1 151 . 1 1 16 16 VAL CG2 C 13 22.294 0.01 . 2 . . . . . 13 VAL CG2 . 27349 1 152 . 1 1 16 16 VAL N N 15 127.058 0.03 . 1 . . . . . 13 VAL N . 27349 1 153 . 1 1 17 17 SER H H 1 9.593 0.01 . 1 . . . . . 14 SER H . 27349 1 154 . 1 1 17 17 SER HA H 1 4.665 0.01 . 1 . . . . . 14 SER HA . 27349 1 155 . 1 1 17 17 SER HB2 H 1 3.727 0.03 . 2 . . . . . 14 SER HB2 . 27349 1 156 . 1 1 17 17 SER HB3 H 1 3.853 0.02 . 2 . . . . . 14 SER HB3 . 27349 1 157 . 1 1 17 17 SER C C 13 174.969 0.00 . 1 . . . . . 14 SER C . 27349 1 158 . 1 1 17 17 SER CA C 13 58.818 0.17 . 1 . . . . . 14 SER CA . 27349 1 159 . 1 1 17 17 SER CB C 13 64.373 0.17 . 1 . . . . . 14 SER CB . 27349 1 160 . 1 1 17 17 SER N N 15 128.199 0.06 . 1 . . . . . 14 SER N . 27349 1 161 . 1 1 18 18 GLU H H 1 7.646 0.00 . 1 . . . . . 15 GLU H . 27349 1 162 . 1 1 18 18 GLU HA H 1 4.617 0.02 . 1 . . . . . 15 GLU HA . 27349 1 163 . 1 1 18 18 GLU HB2 H 1 1.867 0.01 . 2 . . . . . 15 GLU HB2 . 27349 1 164 . 1 1 18 18 GLU HB3 H 1 1.962 0.00 . 2 . . . . . 15 GLU HB3 . 27349 1 165 . 1 1 18 18 GLU HG2 H 1 2.200 0.02 . 2 . . . . . 15 GLU HG2 . 27349 1 166 . 1 1 18 18 GLU HG3 H 1 2.368 0.00 . 2 . . . . . 15 GLU HG3 . 27349 1 167 . 1 1 18 18 GLU C C 13 173.943 0.00 . 1 . . . . . 15 GLU C . 27349 1 168 . 1 1 18 18 GLU CA C 13 56.441 0.12 . 1 . . . . . 15 GLU CA . 27349 1 169 . 1 1 18 18 GLU CB C 13 34.050 0.03 . 1 . . . . . 15 GLU CB . 27349 1 170 . 1 1 18 18 GLU CG C 13 35.283 0.00 . 1 . . . . . 15 GLU CG . 27349 1 171 . 1 1 18 18 GLU N N 15 119.443 0.03 . 1 . . . . . 15 GLU N . 27349 1 172 . 1 1 19 19 ALA H H 1 9.461 0.00 . 1 . . . . . 16 ALA H . 27349 1 173 . 1 1 19 19 ALA HA H 1 4.544 0.01 . 1 . . . . . 16 ALA HA . 27349 1 174 . 1 1 19 19 ALA HB1 H 1 1.432 0.01 . 1 . . . . . 16 ALA HB1 . 27349 1 175 . 1 1 19 19 ALA HB2 H 1 1.432 0.01 . 1 . . . . . 16 ALA HB1 . 27349 1 176 . 1 1 19 19 ALA HB3 H 1 1.432 0.01 . 1 . . . . . 16 ALA HB1 . 27349 1 177 . 1 1 19 19 ALA C C 13 175.694 0.00 . 1 . . . . . 16 ALA C . 27349 1 178 . 1 1 19 19 ALA CA C 13 51.803 0.17 . 1 . . . . . 16 ALA CA . 27349 1 179 . 1 1 19 19 ALA CB C 13 19.289 0.04 . 1 . . . . . 16 ALA CB . 27349 1 180 . 1 1 19 19 ALA N N 15 130.664 0.03 . 1 . . . . . 16 ALA N . 27349 1 181 . 1 1 20 20 LEU H H 1 7.985 0.00 . 1 . . . . . 17 LEU H . 27349 1 182 . 1 1 20 20 LEU HA H 1 4.672 0.01 . 1 . . . . . 17 LEU HA . 27349 1 183 . 1 1 20 20 LEU HB2 H 1 1.234 0.00 . 2 . . . . . 17 LEU HB2 . 27349 1 184 . 1 1 20 20 LEU HB3 H 1 1.479 0.00 . 2 . . . . . 17 LEU HB3 . 27349 1 185 . 1 1 20 20 LEU HG H 1 1.324 0.02 . 1 . . . . . 17 LEU HG . 27349 1 186 . 1 1 20 20 LEU HD11 H 1 0.697 0.00 . 2 . . . . . 17 LEU HD11 . 27349 1 187 . 1 1 20 20 LEU HD12 H 1 0.697 0.00 . 2 . . . . . 17 LEU HD11 . 27349 1 188 . 1 1 20 20 LEU HD13 H 1 0.697 0.00 . 2 . . . . . 17 LEU HD11 . 27349 1 189 . 1 1 20 20 LEU HD21 H 1 0.792 0.01 . 2 . . . . . 17 LEU HD21 . 27349 1 190 . 1 1 20 20 LEU HD22 H 1 0.792 0.01 . 2 . . . . . 17 LEU HD21 . 27349 1 191 . 1 1 20 20 LEU HD23 H 1 0.792 0.01 . 2 . . . . . 17 LEU HD21 . 27349 1 192 . 1 1 20 20 LEU CA C 13 53.071 0.08 . 1 . . . . . 17 LEU CA . 27349 1 193 . 1 1 20 20 LEU CB C 13 42.081 0.04 . 1 . . . . . 17 LEU CB . 27349 1 194 . 1 1 20 20 LEU CG C 13 27.695 0.00 . 1 . . . . . 17 LEU CG . 27349 1 195 . 1 1 20 20 LEU CD1 C 13 26.039 0.06 . 2 . . . . . 17 LEU CD1 . 27349 1 196 . 1 1 20 20 LEU CD2 C 13 23.095 0.02 . 2 . . . . . 17 LEU CD2 . 27349 1 197 . 1 1 20 20 LEU N N 15 125.434 0.06 . 1 . . . . . 17 LEU N . 27349 1 198 . 1 1 21 21 PRO HA H 1 4.361 0.01 . 1 . . . . . 18 PRO HA . 27349 1 199 . 1 1 21 21 PRO HB2 H 1 1.688 0.01 . 2 . . . . . 18 PRO HB2 . 27349 1 200 . 1 1 21 21 PRO HB3 H 1 2.194 0.19 . 2 . . . . . 18 PRO HB3 . 27349 1 201 . 1 1 21 21 PRO HG2 H 1 1.973 0.02 . 2 . . . . . 18 PRO HG2 . 27349 1 202 . 1 1 21 21 PRO HD2 H 1 3.460 0.00 . 2 . . . . . 18 PRO HD2 . 27349 1 203 . 1 1 21 21 PRO HD3 H 1 3.749 0.01 . 2 . . . . . 18 PRO HD3 . 27349 1 204 . 1 1 21 21 PRO C C 13 176.082 0.00 . 1 . . . . . 18 PRO C . 27349 1 205 . 1 1 21 21 PRO CA C 13 63.109 0.07 . 1 . . . . . 18 PRO CA . 27349 1 206 . 1 1 21 21 PRO CB C 13 32.145 0.00 . 1 . . . . . 18 PRO CB . 27349 1 207 . 1 1 21 21 PRO CG C 13 27.861 0.07 . 1 . . . . . 18 PRO CG . 27349 1 208 . 1 1 22 22 ASN H H 1 8.766 0.01 . 1 . . . . . 19 ASN H . 27349 1 209 . 1 1 22 22 ASN HA H 1 4.264 0.02 . 1 . . . . . 19 ASN HA . 27349 1 210 . 1 1 22 22 ASN HB2 H 1 2.798 0.00 . 2 . . . . . 19 ASN HB2 . 27349 1 211 . 1 1 22 22 ASN HB3 H 1 2.875 0.01 . 2 . . . . . 19 ASN HB3 . 27349 1 212 . 1 1 22 22 ASN C C 13 174.249 0.00 . 1 . . . . . 19 ASN C . 27349 1 213 . 1 1 22 22 ASN CA C 13 54.087 0.14 . 1 . . . . . 19 ASN CA . 27349 1 214 . 1 1 22 22 ASN CB C 13 36.827 0.06 . 1 . . . . . 19 ASN CB . 27349 1 215 . 1 1 22 22 ASN N N 15 115.353 0.03 . 1 . . . . . 19 ASN N . 27349 1 216 . 1 1 23 23 ALA H H 1 8.471 0.00 . 1 . . . . . 20 ALA H . 27349 1 217 . 1 1 23 23 ALA HA H 1 3.856 0.01 . 1 . . . . . 20 ALA HA . 27349 1 218 . 1 1 23 23 ALA HB1 H 1 1.468 0.02 . 1 . . . . . 20 ALA HB1 . 27349 1 219 . 1 1 23 23 ALA HB2 H 1 1.468 0.02 . 1 . . . . . 20 ALA HB1 . 27349 1 220 . 1 1 23 23 ALA HB3 H 1 1.468 0.02 . 1 . . . . . 20 ALA HB1 . 27349 1 221 . 1 1 23 23 ALA C C 13 175.041 0.00 . 1 . . . . . 20 ALA C . 27349 1 222 . 1 1 23 23 ALA CA C 13 52.876 0.16 . 1 . . . . . 20 ALA CA . 27349 1 223 . 1 1 23 23 ALA CB C 13 16.471 0.02 . 1 . . . . . 20 ALA CB . 27349 1 224 . 1 1 23 23 ALA N N 15 116.105 0.04 . 1 . . . . . 20 ALA N . 27349 1 225 . 1 1 24 24 MET H H 1 6.290 0.00 . 1 . . . . . 21 MET H . 27349 1 226 . 1 1 24 24 MET HA H 1 5.262 0.01 . 1 . . . . . 21 MET HA . 27349 1 227 . 1 1 24 24 MET HB2 H 1 1.745 0.01 . 2 . . . . . 21 MET HB2 . 27349 1 228 . 1 1 24 24 MET HB3 H 1 1.775 0.00 . 2 . . . . . 21 MET HB3 . 27349 1 229 . 1 1 24 24 MET HG2 H 1 2.252 0.02 . 2 . . . . . 21 MET HG2 . 27349 1 230 . 1 1 24 24 MET HG3 H 1 2.529 0.01 . 2 . . . . . 21 MET HG3 . 27349 1 231 . 1 1 24 24 MET HE1 H 1 1.887 0.00 . 1 . . . . . 21 MET HE1 . 27349 1 232 . 1 1 24 24 MET HE2 H 1 1.882 0.00 . 1 . . . . . 21 MET HE2 . 27349 1 233 . 1 1 24 24 MET HE3 H 1 1.886 0.00 . 1 . . . . . 21 MET HE3 . 27349 1 234 . 1 1 24 24 MET C C 13 175.439 0.00 . 1 . . . . . 21 MET C . 27349 1 235 . 1 1 24 24 MET CA C 13 52.776 0.10 . 1 . . . . . 21 MET CA . 27349 1 236 . 1 1 24 24 MET CB C 13 34.400 0.04 . 1 . . . . . 21 MET CB . 27349 1 237 . 1 1 24 24 MET CG C 13 31.908 0.00 . 1 . . . . . 21 MET CG . 27349 1 238 . 1 1 24 24 MET CE C 13 16.262 0.03 . 1 . . . . . 21 MET CE . 27349 1 239 . 1 1 24 24 MET N N 15 113.795 0.03 . 1 . . . . . 21 MET N . 27349 1 240 . 1 1 25 25 PHE H H 1 8.830 0.01 . 1 . . . . . 22 PHE H . 27349 1 241 . 1 1 25 25 PHE HA H 1 5.143 0.01 . 1 . . . . . 22 PHE HA . 27349 1 242 . 1 1 25 25 PHE HB2 H 1 2.301 0.01 . 2 . . . . . 22 PHE HB2 . 27349 1 243 . 1 1 25 25 PHE HB3 H 1 2.888 0.01 . 2 . . . . . 22 PHE HB3 . 27349 1 244 . 1 1 25 25 PHE HD1 H 1 6.877 0.00 . 3 . . . . . 22 PHE HD1 . 27349 1 245 . 1 1 25 25 PHE HD2 H 1 6.916 0.02 . 3 . . . . . 22 PHE HD2 . 27349 1 246 . 1 1 25 25 PHE HE1 H 1 7.092 0.00 . 3 . . . . . 22 PHE HE1 . 27349 1 247 . 1 1 25 25 PHE HE2 H 1 7.092 0.00 . 3 . . . . . 22 PHE HE2 . 27349 1 248 . 1 1 25 25 PHE C C 13 175.334 0.00 . 1 . . . . . 22 PHE C . 27349 1 249 . 1 1 25 25 PHE CA C 13 56.882 0.13 . 1 . . . . . 22 PHE CA . 27349 1 250 . 1 1 25 25 PHE CB C 13 43.765 0.05 . 1 . . . . . 22 PHE CB . 27349 1 251 . 1 1 25 25 PHE N N 15 116.263 0.02 . 1 . . . . . 22 PHE N . 27349 1 252 . 1 1 26 26 LYS H H 1 9.223 0.00 . 1 . . . . . 23 LYS H . 27349 1 253 . 1 1 26 26 LYS HA H 1 5.136 0.03 . 1 . . . . . 23 LYS HA . 27349 1 254 . 1 1 26 26 LYS HB2 H 1 1.719 0.01 . 2 . . . . . 23 LYS HB2 . 27349 1 255 . 1 1 26 26 LYS HB3 H 1 1.744 0.00 . 2 . . . . . 23 LYS HB3 . 27349 1 256 . 1 1 26 26 LYS HG2 H 1 1.369 0.01 . 2 . . . . . 23 LYS HG2 . 27349 1 257 . 1 1 26 26 LYS HG3 H 1 1.336 0.02 . 2 . . . . . 23 LYS HG3 . 27349 1 258 . 1 1 26 26 LYS C C 13 176.001 0.00 . 1 . . . . . 23 LYS C . 27349 1 259 . 1 1 26 26 LYS CA C 13 55.940 0.15 . 1 . . . . . 23 LYS CA . 27349 1 260 . 1 1 26 26 LYS CB C 13 33.939 0.03 . 1 . . . . . 23 LYS CB . 27349 1 261 . 1 1 26 26 LYS CG C 13 25.678 0.00 . 1 . . . . . 23 LYS CG . 27349 1 262 . 1 1 26 26 LYS CD C 13 29.079 0.00 . 1 . . . . . 23 LYS CD . 27349 1 263 . 1 1 26 26 LYS N N 15 123.621 0.04 . 1 . . . . . 23 LYS N . 27349 1 264 . 1 1 27 27 VAL H H 1 9.104 0.00 . 1 . . . . . 24 VAL H . 27349 1 265 . 1 1 27 27 VAL HA H 1 4.540 0.01 . 1 . . . . . 24 VAL HA . 27349 1 266 . 1 1 27 27 VAL HB H 1 1.777 0.01 . 1 . . . . . 24 VAL HB . 27349 1 267 . 1 1 27 27 VAL HG11 H 1 0.510 0.02 . 2 . . . . . 24 VAL HG11 . 27349 1 268 . 1 1 27 27 VAL HG12 H 1 0.510 0.02 . 2 . . . . . 24 VAL HG11 . 27349 1 269 . 1 1 27 27 VAL HG13 H 1 0.510 0.02 . 2 . . . . . 24 VAL HG11 . 27349 1 270 . 1 1 27 27 VAL HG21 H 1 0.770 0.01 . 2 . . . . . 24 VAL HG21 . 27349 1 271 . 1 1 27 27 VAL HG22 H 1 0.770 0.01 . 2 . . . . . 24 VAL HG21 . 27349 1 272 . 1 1 27 27 VAL HG23 H 1 0.770 0.01 . 2 . . . . . 24 VAL HG21 . 27349 1 273 . 1 1 27 27 VAL C C 13 173.587 0.00 . 1 . . . . . 24 VAL C . 27349 1 274 . 1 1 27 27 VAL CA C 13 60.777 0.08 . 1 . . . . . 24 VAL CA . 27349 1 275 . 1 1 27 27 VAL CB C 13 35.445 0.09 . 1 . . . . . 24 VAL CB . 27349 1 276 . 1 1 27 27 VAL CG1 C 13 21.131 0.00 . 2 . . . . . 24 VAL CG1 . 27349 1 277 . 1 1 27 27 VAL CG2 C 13 23.270 0.15 . 2 . . . . . 24 VAL CG2 . 27349 1 278 . 1 1 27 27 VAL N N 15 125.614 0.03 . 1 . . . . . 24 VAL N . 27349 1 279 . 1 1 28 28 LYS H H 1 9.093 0.01 . 1 . . . . . 25 LYS H . 27349 1 280 . 1 1 28 28 LYS HA H 1 4.694 0.01 . 1 . . . . . 25 LYS HA . 27349 1 281 . 1 1 28 28 LYS HB2 H 1 1.661 0.01 . 2 . . . . . 25 LYS HB2 . 27349 1 282 . 1 1 28 28 LYS HB3 H 1 1.886 0.02 . 2 . . . . . 25 LYS HB3 . 27349 1 283 . 1 1 28 28 LYS HG2 H 1 1.296 0.00 . 2 . . . . . 25 LYS HG2 . 27349 1 284 . 1 1 28 28 LYS HG3 H 1 1.443 0.00 . 2 . . . . . 25 LYS HG3 . 27349 1 285 . 1 1 28 28 LYS C C 13 176.721 0.00 . 1 . . . . . 25 LYS C . 27349 1 286 . 1 1 28 28 LYS CA C 13 55.091 0.11 . 1 . . . . . 25 LYS CA . 27349 1 287 . 1 1 28 28 LYS CB C 13 33.241 0.03 . 1 . . . . . 25 LYS CB . 27349 1 288 . 1 1 28 28 LYS N N 15 127.887 0.02 . 1 . . . . . 25 LYS N . 27349 1 289 . 1 1 29 29 LEU H H 1 8.998 0.00 . 1 . . . . . 26 LEU H . 27349 1 290 . 1 1 29 29 LEU HA H 1 4.731 0.01 . 1 . . . . . 26 LEU HA . 27349 1 291 . 1 1 29 29 LEU HB2 H 1 1.603 0.02 . 2 . . . . . 26 LEU HB2 . 27349 1 292 . 1 1 29 29 LEU HB3 H 1 2.306 0.01 . 2 . . . . . 26 LEU HB3 . 27349 1 293 . 1 1 29 29 LEU HG H 1 1.716 0.00 . 1 . . . . . 26 LEU HG . 27349 1 294 . 1 1 29 29 LEU HD11 H 1 0.880 0.01 . 2 . . . . . 26 LEU HD11 . 27349 1 295 . 1 1 29 29 LEU HD12 H 1 0.880 0.01 . 2 . . . . . 26 LEU HD11 . 27349 1 296 . 1 1 29 29 LEU HD13 H 1 0.880 0.01 . 2 . . . . . 26 LEU HD11 . 27349 1 297 . 1 1 29 29 LEU HD21 H 1 0.634 0.02 . 2 . . . . . 26 LEU HD21 . 27349 1 298 . 1 1 29 29 LEU HD22 H 1 0.634 0.02 . 2 . . . . . 26 LEU HD21 . 27349 1 299 . 1 1 29 29 LEU HD23 H 1 0.634 0.02 . 2 . . . . . 26 LEU HD21 . 27349 1 300 . 1 1 29 29 LEU C C 13 179.196 0.00 . 1 . . . . . 26 LEU C . 27349 1 301 . 1 1 29 29 LEU CA C 13 54.429 0.20 . 1 . . . . . 26 LEU CA . 27349 1 302 . 1 1 29 29 LEU CB C 13 42.867 0.02 . 1 . . . . . 26 LEU CB . 27349 1 303 . 1 1 29 29 LEU CD1 C 13 25.809 0.11 . 2 . . . . . 26 LEU CD1 . 27349 1 304 . 1 1 29 29 LEU CD2 C 13 22.145 0.07 . 2 . . . . . 26 LEU CD2 . 27349 1 305 . 1 1 29 29 LEU N N 15 127.927 0.02 . 1 . . . . . 26 LEU N . 27349 1 306 . 1 1 30 30 GLU H H 1 8.959 0.00 . 1 . . . . . 27 GLU H . 27349 1 307 . 1 1 30 30 GLU HA H 1 4.135 0.01 . 1 . . . . . 27 GLU HA . 27349 1 308 . 1 1 30 30 GLU HB2 H 1 2.167 0.01 . 2 . . . . . 27 GLU HB2 . 27349 1 309 . 1 1 30 30 GLU HB3 H 1 2.141 0.02 . 2 . . . . . 27 GLU HB3 . 27349 1 310 . 1 1 30 30 GLU C C 13 176.511 0.00 . 1 . . . . . 27 GLU C . 27349 1 311 . 1 1 30 30 GLU CA C 13 58.698 0.11 . 1 . . . . . 27 GLU CA . 27349 1 312 . 1 1 30 30 GLU CB C 13 29.059 0.05 . 1 . . . . . 27 GLU CB . 27349 1 313 . 1 1 30 30 GLU CG C 13 36.316 0.00 . 1 . . . . . 27 GLU CG . 27349 1 314 . 1 1 30 30 GLU N N 15 120.753 0.05 . 1 . . . . . 27 GLU N . 27349 1 315 . 1 1 31 31 ASN H H 1 7.379 0.00 . 1 . . . . . 28 ASN H . 27349 1 316 . 1 1 31 31 ASN HA H 1 4.618 0.02 . 1 . . . . . 28 ASN HA . 27349 1 317 . 1 1 31 31 ASN HB2 H 1 2.782 0.00 . 2 . . . . . 28 ASN HB2 . 27349 1 318 . 1 1 31 31 ASN HB3 H 1 3.259 0.01 . 2 . . . . . 28 ASN HB3 . 27349 1 319 . 1 1 31 31 ASN C C 13 176.369 0.00 . 1 . . . . . 28 ASN C . 27349 1 320 . 1 1 31 31 ASN CA C 13 52.541 0.11 . 1 . . . . . 28 ASN CA . 27349 1 321 . 1 1 31 31 ASN CB C 13 37.381 0.01 . 1 . . . . . 28 ASN CB . 27349 1 322 . 1 1 31 31 ASN N N 15 114.139 0.05 . 1 . . . . . 28 ASN N . 27349 1 323 . 1 1 32 32 GLY H H 1 8.159 0.00 . 1 . . . . . 29 GLY H . 27349 1 324 . 1 1 32 32 GLY HA2 H 1 3.580 0.02 . 2 . . . . . 29 GLY HA2 . 27349 1 325 . 1 1 32 32 GLY HA3 H 1 4.321 0.02 . 2 . . . . . 29 GLY HA3 . 27349 1 326 . 1 1 32 32 GLY C C 13 174.523 0.00 . 1 . . . . . 29 GLY C . 27349 1 327 . 1 1 32 32 GLY CA C 13 45.156 0.10 . 1 . . . . . 29 GLY CA . 27349 1 328 . 1 1 32 32 GLY N N 15 107.374 0.02 . 1 . . . . . 29 GLY N . 27349 1 329 . 1 1 33 33 HIS H H 1 8.050 0.02 . 1 . . . . . 30 HIS H . 27349 1 330 . 1 1 33 33 HIS HA H 1 4.677 0.01 . 1 . . . . . 30 HIS HA . 27349 1 331 . 1 1 33 33 HIS HB2 H 1 3.211 0.02 . 2 . . . . . 30 HIS HB2 . 27349 1 332 . 1 1 33 33 HIS HB3 H 1 3.135 0.00 . 2 . . . . . 30 HIS HB3 . 27349 1 333 . 1 1 33 33 HIS HD2 H 1 8.123 0.00 . 1 . . . . . 30 HIS HD2 . 27349 1 334 . 1 1 33 33 HIS HE1 H 1 6.992 0.01 . 1 . . . . . 30 HIS HE1 . 27349 1 335 . 1 1 33 33 HIS C C 13 173.379 0.00 . 1 . . . . . 30 HIS C . 27349 1 336 . 1 1 33 33 HIS CA C 13 55.252 0.11 . 1 . . . . . 30 HIS CA . 27349 1 337 . 1 1 33 33 HIS CB C 13 29.109 0.03 . 1 . . . . . 30 HIS CB . 27349 1 338 . 1 1 33 33 HIS N N 15 118.960 0.03 . 1 . . . . . 30 HIS N . 27349 1 339 . 1 1 34 34 GLU H H 1 8.732 0.00 . 1 . . . . . 31 GLU H . 27349 1 340 . 1 1 34 34 GLU HA H 1 5.379 0.01 . 1 . . . . . 31 GLU HA . 27349 1 341 . 1 1 34 34 GLU HB2 H 1 1.908 0.01 . 2 . . . . . 31 GLU HB2 . 27349 1 342 . 1 1 34 34 GLU HB3 H 1 1.937 0.00 . 2 . . . . . 31 GLU HB3 . 27349 1 343 . 1 1 34 34 GLU HG2 H 1 2.156 0.01 . 2 . . . . . 31 GLU HG2 . 27349 1 344 . 1 1 34 34 GLU HG3 H 1 1.954 0.00 . 2 . . . . . 31 GLU HG3 . 27349 1 345 . 1 1 34 34 GLU C C 13 175.815 0.00 . 1 . . . . . 31 GLU C . 27349 1 346 . 1 1 34 34 GLU CA C 13 54.956 0.11 . 1 . . . . . 31 GLU CA . 27349 1 347 . 1 1 34 34 GLU CB C 13 32.024 0.02 . 1 . . . . . 31 GLU CB . 27349 1 348 . 1 1 34 34 GLU CG C 13 37.244 0.18 . 1 . . . . . 31 GLU CG . 27349 1 349 . 1 1 34 34 GLU N N 15 123.087 0.05 . 1 . . . . . 31 GLU N . 27349 1 350 . 1 1 35 35 ILE H H 1 9.078 0.00 . 1 . . . . . 32 ILE H . 27349 1 351 . 1 1 35 35 ILE HA H 1 4.671 0.01 . 1 . . . . . 32 ILE HA . 27349 1 352 . 1 1 35 35 ILE HB H 1 1.573 0.01 . 1 . . . . . 32 ILE HB . 27349 1 353 . 1 1 35 35 ILE HG12 H 1 1.222 0.03 . 2 . . . . . 32 ILE HG12 . 27349 1 354 . 1 1 35 35 ILE HG13 H 1 1.016 0.02 . 2 . . . . . 32 ILE HG13 . 27349 1 355 . 1 1 35 35 ILE HG21 H 1 0.743 0.00 . 1 . . . . . 32 ILE HG21 . 27349 1 356 . 1 1 35 35 ILE HG22 H 1 0.750 0.00 . 1 . . . . . 32 ILE HG22 . 27349 1 357 . 1 1 35 35 ILE HG23 H 1 0.772 0.02 . 1 . . . . . 32 ILE HG23 . 27349 1 358 . 1 1 35 35 ILE HD11 H 1 0.584 0.00 . 1 . . . . . 32 ILE HD11 . 27349 1 359 . 1 1 35 35 ILE HD12 H 1 0.584 0.00 . 1 . . . . . 32 ILE HD12 . 27349 1 360 . 1 1 35 35 ILE HD13 H 1 0.567 0.01 . 1 . . . . . 32 ILE HD13 . 27349 1 361 . 1 1 35 35 ILE C C 13 174.234 0.00 . 1 . . . . . 32 ILE C . 27349 1 362 . 1 1 35 35 ILE CA C 13 59.202 0.16 . 1 . . . . . 32 ILE CA . 27349 1 363 . 1 1 35 35 ILE CB C 13 42.170 0.00 . 1 . . . . . 32 ILE CB . 27349 1 364 . 1 1 35 35 ILE CG1 C 13 26.362 0.07 . 1 . . . . . 32 ILE CG1 . 27349 1 365 . 1 1 35 35 ILE CG2 C 13 18.076 0.00 . 1 . . . . . 32 ILE CG2 . 27349 1 366 . 1 1 35 35 ILE CD1 C 13 14.939 0.08 . 1 . . . . . 32 ILE CD1 . 27349 1 367 . 1 1 35 35 ILE N N 15 120.817 0.03 . 1 . . . . . 32 ILE N . 27349 1 368 . 1 1 36 36 LEU H H 1 8.101 0.00 . 1 . . . . . 33 LEU H . 27349 1 369 . 1 1 36 36 LEU HA H 1 5.033 0.01 . 1 . . . . . 33 LEU HA . 27349 1 370 . 1 1 36 36 LEU HB2 H 1 1.683 0.02 . 2 . . . . . 33 LEU HB2 . 27349 1 371 . 1 1 36 36 LEU HB3 H 1 1.721 0.01 . 2 . . . . . 33 LEU HB3 . 27349 1 372 . 1 1 36 36 LEU HG H 1 1.554 0.00 . 1 . . . . . 33 LEU HG . 27349 1 373 . 1 1 36 36 LEU HD11 H 1 0.863 0.00 . 2 . . . . . 33 LEU HD11 . 27349 1 374 . 1 1 36 36 LEU HD12 H 1 0.863 0.00 . 2 . . . . . 33 LEU HD11 . 27349 1 375 . 1 1 36 36 LEU HD13 H 1 0.863 0.00 . 2 . . . . . 33 LEU HD11 . 27349 1 376 . 1 1 36 36 LEU HD21 H 1 0.851 0.00 . 2 . . . . . 33 LEU HD21 . 27349 1 377 . 1 1 36 36 LEU HD22 H 1 0.851 0.00 . 2 . . . . . 33 LEU HD21 . 27349 1 378 . 1 1 36 36 LEU HD23 H 1 0.851 0.00 . 2 . . . . . 33 LEU HD21 . 27349 1 379 . 1 1 36 36 LEU C C 13 177.641 0.00 . 1 . . . . . 33 LEU C . 27349 1 380 . 1 1 36 36 LEU CA C 13 54.516 0.14 . 1 . . . . . 33 LEU CA . 27349 1 381 . 1 1 36 36 LEU CB C 13 43.407 0.05 . 1 . . . . . 33 LEU CB . 27349 1 382 . 1 1 36 36 LEU CG C 13 27.411 0.01 . 1 . . . . . 33 LEU CG . 27349 1 383 . 1 1 36 36 LEU CD1 C 13 24.285 0.07 . 2 . . . . . 33 LEU CD1 . 27349 1 384 . 1 1 36 36 LEU CD2 C 13 24.527 0.00 . 2 . . . . . 33 LEU CD2 . 27349 1 385 . 1 1 36 36 LEU N N 15 125.608 0.04 . 1 . . . . . 33 LEU N . 27349 1 386 . 1 1 37 37 CYS H H 1 9.658 0.01 . 1 . . . . . 34 CYS H . 27349 1 387 . 1 1 37 37 CYS HA H 1 5.712 0.02 . 1 . . . . . 34 CYS HA . 27349 1 388 . 1 1 37 37 CYS HB2 H 1 2.758 0.01 . 2 . . . . . 34 CYS HB2 . 27349 1 389 . 1 1 37 37 CYS HB3 H 1 2.788 0.01 . 2 . . . . . 34 CYS HB3 . 27349 1 390 . 1 1 37 37 CYS C C 13 174.226 0.00 . 1 . . . . . 34 CYS C . 27349 1 391 . 1 1 37 37 CYS CA C 13 57.562 0.17 . 1 . . . . . 34 CYS CA . 27349 1 392 . 1 1 37 37 CYS CB C 13 32.827 0.02 . 1 . . . . . 34 CYS CB . 27349 1 393 . 1 1 37 37 CYS N N 15 120.987 0.02 . 1 . . . . . 34 CYS N . 27349 1 394 . 1 1 38 38 HIS H H 1 7.719 0.00 . 1 . . . . . 35 HIS H . 27349 1 395 . 1 1 38 38 HIS HA H 1 5.498 0.02 . 1 . . . . . 35 HIS HA . 27349 1 396 . 1 1 38 38 HIS HB2 H 1 3.439 0.02 . 2 . . . . . 35 HIS HB2 . 27349 1 397 . 1 1 38 38 HIS HB3 H 1 3.475 0.00 . 2 . . . . . 35 HIS HB3 . 27349 1 398 . 1 1 38 38 HIS HD2 H 1 7.356 0.00 . 1 . . . . . 35 HIS HD2 . 27349 1 399 . 1 1 38 38 HIS C C 13 174.755 0.00 . 1 . . . . . 35 HIS C . 27349 1 400 . 1 1 38 38 HIS CA C 13 54.283 0.09 . 1 . . . . . 35 HIS CA . 27349 1 401 . 1 1 38 38 HIS CB C 13 32.143 0.04 . 1 . . . . . 35 HIS CB . 27349 1 402 . 1 1 38 38 HIS N N 15 117.218 0.07 . 1 . . . . . 35 HIS N . 27349 1 403 . 1 1 39 39 ILE H H 1 9.471 0.00 . 1 . . . . . 36 ILE H . 27349 1 404 . 1 1 39 39 ILE HA H 1 4.538 0.02 . 1 . . . . . 36 ILE HA . 27349 1 405 . 1 1 39 39 ILE HB H 1 1.973 0.02 . 1 . . . . . 36 ILE HB . 27349 1 406 . 1 1 39 39 ILE HG12 H 1 1.683 0.01 . 2 . . . . . 36 ILE HG12 . 27349 1 407 . 1 1 39 39 ILE HG13 H 1 1.291 0.02 . 2 . . . . . 36 ILE HG13 . 27349 1 408 . 1 1 39 39 ILE HG21 H 1 1.042 0.00 . 1 . . . . . 36 ILE HG21 . 27349 1 409 . 1 1 39 39 ILE HG22 H 1 1.036 0.00 . 1 . . . . . 36 ILE HG22 . 27349 1 410 . 1 1 39 39 ILE HG23 H 1 1.065 0.02 . 1 . . . . . 36 ILE HG23 . 27349 1 411 . 1 1 39 39 ILE HD11 H 1 0.857 0.00 . 1 . . . . . 36 ILE HD11 . 27349 1 412 . 1 1 39 39 ILE HD12 H 1 0.861 0.00 . 1 . . . . . 36 ILE HD12 . 27349 1 413 . 1 1 39 39 ILE HD13 H 1 0.861 0.00 . 1 . . . . . 36 ILE HD13 . 27349 1 414 . 1 1 39 39 ILE C C 13 175.758 0.00 . 1 . . . . . 36 ILE C . 27349 1 415 . 1 1 39 39 ILE CA C 13 61.571 0.15 . 1 . . . . . 36 ILE CA . 27349 1 416 . 1 1 39 39 ILE CB C 13 39.721 0.06 . 1 . . . . . 36 ILE CB . 27349 1 417 . 1 1 39 39 ILE CG1 C 13 27.289 0.04 . 1 . . . . . 36 ILE CG1 . 27349 1 418 . 1 1 39 39 ILE CG2 C 13 18.596 0.00 . 1 . . . . . 36 ILE CG2 . 27349 1 419 . 1 1 39 39 ILE CD1 C 13 13.996 0.04 . 1 . . . . . 36 ILE CD1 . 27349 1 420 . 1 1 39 39 ILE N N 15 119.502 0.02 . 1 . . . . . 36 ILE N . 27349 1 421 . 1 1 40 40 SER H H 1 8.377 0.00 . 1 . . . . . 37 SER H . 27349 1 422 . 1 1 40 40 SER HA H 1 4.518 0.02 . 1 . . . . . 37 SER HA . 27349 1 423 . 1 1 40 40 SER HB2 H 1 3.923 0.03 . 2 . . . . . 37 SER HB2 . 27349 1 424 . 1 1 40 40 SER HB3 H 1 4.192 0.01 . 2 . . . . . 37 SER HB3 . 27349 1 425 . 1 1 40 40 SER C C 13 174.988 0.00 . 1 . . . . . 37 SER C . 27349 1 426 . 1 1 40 40 SER CA C 13 58.087 0.15 . 1 . . . . . 37 SER CA . 27349 1 427 . 1 1 40 40 SER CB C 13 64.796 0.00 . 1 . . . . . 37 SER CB . 27349 1 428 . 1 1 40 40 SER N N 15 119.849 0.03 . 1 . . . . . 37 SER N . 27349 1 429 . 1 1 41 41 GLY H H 1 9.063 0.00 . 1 . . . . . 38 GLY H . 27349 1 430 . 1 1 41 41 GLY HA2 H 1 3.902 0.03 . 2 . . . . . 38 GLY HA2 . 27349 1 431 . 1 1 41 41 GLY HA3 H 1 4.046 0.02 . 2 . . . . . 38 GLY HA3 . 27349 1 432 . 1 1 41 41 GLY C C 13 175.780 0.00 . 1 . . . . . 38 GLY C . 27349 1 433 . 1 1 41 41 GLY CA C 13 47.001 0.08 . 1 . . . . . 38 GLY CA . 27349 1 434 . 1 1 41 41 GLY N N 15 112.521 0.02 . 1 . . . . . 38 GLY N . 27349 1 435 . 1 1 42 42 LYS H H 1 8.250 0.01 . 1 . . . . . 39 LYS H . 27349 1 436 . 1 1 42 42 LYS HA H 1 4.132 0.02 . 1 . . . . . 39 LYS HA . 27349 1 437 . 1 1 42 42 LYS HB2 H 1 1.882 0.00 . 2 . . . . . 39 LYS HB2 . 27349 1 438 . 1 1 42 42 LYS HB3 H 1 1.903 0.00 . 2 . . . . . 39 LYS HB3 . 27349 1 439 . 1 1 42 42 LYS HG2 H 1 1.493 0.00 . 2 . . . . . 39 LYS HG2 . 27349 1 440 . 1 1 42 42 LYS C C 13 178.230 0.00 . 1 . . . . . 39 LYS C . 27349 1 441 . 1 1 42 42 LYS CA C 13 58.671 0.13 . 1 . . . . . 39 LYS CA . 27349 1 442 . 1 1 42 42 LYS CB C 13 32.406 0.03 . 1 . . . . . 39 LYS CB . 27349 1 443 . 1 1 42 42 LYS CG C 13 25.292 0.00 . 1 . . . . . 39 LYS CG . 27349 1 444 . 1 1 42 42 LYS CD C 13 29.240 0.00 . 1 . . . . . 39 LYS CD . 27349 1 445 . 1 1 42 42 LYS N N 15 120.652 0.04 . 1 . . . . . 39 LYS N . 27349 1 446 . 1 1 43 43 LEU H H 1 7.572 0.00 . 1 . . . . . 40 LEU H . 27349 1 447 . 1 1 43 43 LEU HA H 1 4.184 0.01 . 1 . . . . . 40 LEU HA . 27349 1 448 . 1 1 43 43 LEU HB2 H 1 1.513 0.02 . 2 . . . . . 40 LEU HB2 . 27349 1 449 . 1 1 43 43 LEU HB3 H 1 1.786 0.01 . 2 . . . . . 40 LEU HB3 . 27349 1 450 . 1 1 43 43 LEU HG H 1 1.616 0.02 . 1 . . . . . 40 LEU HG . 27349 1 451 . 1 1 43 43 LEU HD11 H 1 0.763 0.00 . 2 . . . . . 40 LEU HD11 . 27349 1 452 . 1 1 43 43 LEU HD12 H 1 0.763 0.00 . 2 . . . . . 40 LEU HD11 . 27349 1 453 . 1 1 43 43 LEU HD13 H 1 0.763 0.00 . 2 . . . . . 40 LEU HD11 . 27349 1 454 . 1 1 43 43 LEU HD21 H 1 0.779 0.02 . 2 . . . . . 40 LEU HD21 . 27349 1 455 . 1 1 43 43 LEU HD22 H 1 0.779 0.02 . 2 . . . . . 40 LEU HD21 . 27349 1 456 . 1 1 43 43 LEU HD23 H 1 0.779 0.02 . 2 . . . . . 40 LEU HD21 . 27349 1 457 . 1 1 43 43 LEU C C 13 178.383 0.00 . 1 . . . . . 40 LEU C . 27349 1 458 . 1 1 43 43 LEU CA C 13 56.903 0.17 . 1 . . . . . 40 LEU CA . 27349 1 459 . 1 1 43 43 LEU CB C 13 41.593 0.07 . 1 . . . . . 40 LEU CB . 27349 1 460 . 1 1 43 43 LEU CG C 13 27.678 0.00 . 1 . . . . . 40 LEU CG . 27349 1 461 . 1 1 43 43 LEU CD1 C 13 25.288 0.04 . 2 . . . . . 40 LEU CD1 . 27349 1 462 . 1 1 43 43 LEU CD2 C 13 23.953 0.03 . 2 . . . . . 40 LEU CD2 . 27349 1 463 . 1 1 43 43 LEU N N 15 119.397 0.07 . 1 . . . . . 40 LEU N . 27349 1 464 . 1 1 44 44 ARG H H 1 7.961 0.00 . 1 . . . . . 41 ARG H . 27349 1 465 . 1 1 44 44 ARG HA H 1 4.109 0.02 . 1 . . . . . 41 ARG HA . 27349 1 466 . 1 1 44 44 ARG HB2 H 1 1.917 0.00 . 2 . . . . . 41 ARG HB2 . 27349 1 467 . 1 1 44 44 ARG HB3 H 1 1.907 0.01 . 2 . . . . . 41 ARG HB3 . 27349 1 468 . 1 1 44 44 ARG HG2 H 1 1.685 0.00 . 2 . . . . . 41 ARG HG2 . 27349 1 469 . 1 1 44 44 ARG HD2 H 1 3.281 0.00 . 2 . . . . . 41 ARG HD2 . 27349 1 470 . 1 1 44 44 ARG C C 13 178.727 0.00 . 1 . . . . . 41 ARG C . 27349 1 471 . 1 1 44 44 ARG CA C 13 58.365 0.09 . 1 . . . . . 41 ARG CA . 27349 1 472 . 1 1 44 44 ARG CB C 13 30.106 0.01 . 1 . . . . . 41 ARG CB . 27349 1 473 . 1 1 44 44 ARG CG C 13 27.489 0.00 . 1 . . . . . 41 ARG CG . 27349 1 474 . 1 1 44 44 ARG CD C 13 43.751 0.00 . 1 . . . . . 41 ARG CD . 27349 1 475 . 1 1 44 44 ARG N N 15 119.609 0.02 . 1 . . . . . 41 ARG N . 27349 1 476 . 1 1 45 45 MET H H 1 8.146 0.00 . 1 . . . . . 42 MET H . 27349 1 477 . 1 1 45 45 MET HA H 1 4.187 0.01 . 1 . . . . . 42 MET HA . 27349 1 478 . 1 1 45 45 MET HB2 H 1 2.133 0.06 . 2 . . . . . 42 MET HB2 . 27349 1 479 . 1 1 45 45 MET HB3 H 1 2.622 0.01 . 2 . . . . . 42 MET HB3 . 27349 1 480 . 1 1 45 45 MET HE1 H 1 2.050 0.01 . 1 . . . . . 42 MET HE1 . 27349 1 481 . 1 1 45 45 MET HE2 H 1 2.050 0.01 . 1 . . . . . 42 MET HE1 . 27349 1 482 . 1 1 45 45 MET HE3 H 1 2.050 0.01 . 1 . . . . . 42 MET HE1 . 27349 1 483 . 1 1 45 45 MET C C 13 175.823 0.00 . 1 . . . . . 42 MET C . 27349 1 484 . 1 1 45 45 MET CA C 13 56.779 0.11 . 1 . . . . . 42 MET CA . 27349 1 485 . 1 1 45 45 MET CB C 13 32.200 0.07 . 1 . . . . . 42 MET CB . 27349 1 486 . 1 1 45 45 MET CE C 13 16.700 0.12 . 1 . . . . . 42 MET CE . 27349 1 487 . 1 1 45 45 MET N N 15 118.083 0.02 . 1 . . . . . 42 MET N . 27349 1 488 . 1 1 46 46 ASN H H 1 7.602 0.00 . 1 . . . . . 43 ASN H . 27349 1 489 . 1 1 46 46 ASN HA H 1 4.674 0.01 . 1 . . . . . 43 ASN HA . 27349 1 490 . 1 1 46 46 ASN HB2 H 1 2.623 0.02 . 2 . . . . . 43 ASN HB2 . 27349 1 491 . 1 1 46 46 ASN HB3 H 1 2.823 0.01 . 2 . . . . . 43 ASN HB3 . 27349 1 492 . 1 1 46 46 ASN C C 13 174.174 0.00 . 1 . . . . . 43 ASN C . 27349 1 493 . 1 1 46 46 ASN CA C 13 53.170 0.10 . 1 . . . . . 43 ASN CA . 27349 1 494 . 1 1 46 46 ASN CB C 13 39.116 0.07 . 1 . . . . . 43 ASN CB . 27349 1 495 . 1 1 46 46 ASN N N 15 116.104 0.11 . 1 . . . . . 43 ASN N . 27349 1 496 . 1 1 47 47 PHE H H 1 7.730 0.00 . 1 . . . . . 44 PHE H . 27349 1 497 . 1 1 47 47 PHE HA H 1 4.341 0.02 . 1 . . . . . 44 PHE HA . 27349 1 498 . 1 1 47 47 PHE HB2 H 1 3.185 0.01 . 2 . . . . . 44 PHE HB2 . 27349 1 499 . 1 1 47 47 PHE HB3 H 1 3.164 0.02 . 2 . . . . . 44 PHE HB3 . 27349 1 500 . 1 1 47 47 PHE HD1 H 1 7.184 0.00 . 3 . . . . . 44 PHE HD1 . 27349 1 501 . 1 1 47 47 PHE HD2 H 1 7.187 0.00 . 3 . . . . . 44 PHE HD2 . 27349 1 502 . 1 1 47 47 PHE HE1 H 1 7.295 0.03 . 3 . . . . . 44 PHE HE1 . 27349 1 503 . 1 1 47 47 PHE HE2 H 1 7.326 0.00 . 3 . . . . . 44 PHE HE2 . 27349 1 504 . 1 1 47 47 PHE HZ H 1 7.321 0.00 . 1 . . . . . 44 PHE HZ . 27349 1 505 . 1 1 47 47 PHE C C 13 175.123 0.00 . 1 . . . . . 44 PHE C . 27349 1 506 . 1 1 47 47 PHE CA C 13 58.498 0.19 . 1 . . . . . 44 PHE CA . 27349 1 507 . 1 1 47 47 PHE CB C 13 37.230 0.05 . 1 . . . . . 44 PHE CB . 27349 1 508 . 1 1 47 47 PHE N N 15 116.765 0.05 . 1 . . . . . 44 PHE N . 27349 1 509 . 1 1 48 48 ILE H H 1 7.578 0.00 . 1 . . . . . 45 ILE H . 27349 1 510 . 1 1 48 48 ILE HA H 1 4.002 0.01 . 1 . . . . . 45 ILE HA . 27349 1 511 . 1 1 48 48 ILE HB H 1 1.724 0.01 . 1 . . . . . 45 ILE HB . 27349 1 512 . 1 1 48 48 ILE HG12 H 1 1.374 0.01 . 2 . . . . . 45 ILE HG12 . 27349 1 513 . 1 1 48 48 ILE HG13 H 1 1.167 0.01 . 2 . . . . . 45 ILE HG13 . 27349 1 514 . 1 1 48 48 ILE HG21 H 1 0.705 0.00 . 1 . . . . . 45 ILE HG21 . 27349 1 515 . 1 1 48 48 ILE HG22 H 1 0.705 0.00 . 1 . . . . . 45 ILE HG22 . 27349 1 516 . 1 1 48 48 ILE HG23 H 1 0.707 0.00 . 1 . . . . . 45 ILE HG23 . 27349 1 517 . 1 1 48 48 ILE HD11 H 1 0.731 0.01 . 1 . . . . . 45 ILE HD11 . 27349 1 518 . 1 1 48 48 ILE HD12 H 1 0.757 0.01 . 1 . . . . . 45 ILE HD12 . 27349 1 519 . 1 1 48 48 ILE HD13 H 1 0.757 0.01 . 1 . . . . . 45 ILE HD12 . 27349 1 520 . 1 1 48 48 ILE C C 13 174.958 0.00 . 1 . . . . . 45 ILE C . 27349 1 521 . 1 1 48 48 ILE CA C 13 60.445 0.13 . 1 . . . . . 45 ILE CA . 27349 1 522 . 1 1 48 48 ILE CB C 13 37.882 0.04 . 1 . . . . . 45 ILE CB . 27349 1 523 . 1 1 48 48 ILE CG1 C 13 27.488 0.02 . 1 . . . . . 45 ILE CG1 . 27349 1 524 . 1 1 48 48 ILE CG2 C 13 17.195 0.02 . 1 . . . . . 45 ILE CG2 . 27349 1 525 . 1 1 48 48 ILE CD1 C 13 12.065 0.00 . 1 . . . . . 45 ILE CD1 . 27349 1 526 . 1 1 48 48 ILE N N 15 120.122 0.06 . 1 . . . . . 45 ILE N . 27349 1 527 . 1 1 49 49 ARG H H 1 8.268 0.01 . 1 . . . . . 46 ARG H . 27349 1 528 . 1 1 49 49 ARG HA H 1 4.438 0.01 . 1 . . . . . 46 ARG HA . 27349 1 529 . 1 1 49 49 ARG HB2 H 1 1.748 0.00 . 2 . . . . . 46 ARG HB2 . 27349 1 530 . 1 1 49 49 ARG HB3 H 1 1.732 0.01 . 2 . . . . . 46 ARG HB3 . 27349 1 531 . 1 1 49 49 ARG C C 13 174.895 0.00 . 1 . . . . . 46 ARG C . 27349 1 532 . 1 1 49 49 ARG CA C 13 55.320 0.03 . 1 . . . . . 46 ARG CA . 27349 1 533 . 1 1 49 49 ARG CB C 13 30.762 0.01 . 1 . . . . . 46 ARG CB . 27349 1 534 . 1 1 49 49 ARG CG C 13 26.864 0.00 . 1 . . . . . 46 ARG CG . 27349 1 535 . 1 1 49 49 ARG CD C 13 43.420 0.00 . 1 . . . . . 46 ARG CD . 27349 1 536 . 1 1 49 49 ARG N N 15 126.638 0.03 . 1 . . . . . 46 ARG N . 27349 1 537 . 1 1 50 50 ILE H H 1 8.231 0.01 . 1 . . . . . 47 ILE H . 27349 1 538 . 1 1 50 50 ILE HA H 1 4.032 0.01 . 1 . . . . . 47 ILE HA . 27349 1 539 . 1 1 50 50 ILE HB H 1 1.425 0.01 . 1 . . . . . 47 ILE HB . 27349 1 540 . 1 1 50 50 ILE HG12 H 1 1.045 0.00 . 2 . . . . . 47 ILE HG12 . 27349 1 541 . 1 1 50 50 ILE HG13 H 1 0.876 0.01 . 2 . . . . . 47 ILE HG13 . 27349 1 542 . 1 1 50 50 ILE HG21 H 1 0.200 0.00 . 1 . . . . . 47 ILE HG21 . 27349 1 543 . 1 1 50 50 ILE HG22 H 1 0.198 0.01 . 1 . . . . . 47 ILE HG22 . 27349 1 544 . 1 1 50 50 ILE HG23 H 1 0.229 0.03 . 1 . . . . . 47 ILE HG23 . 27349 1 545 . 1 1 50 50 ILE HD11 H 1 0.351 0.00 . 1 . . . . . 47 ILE HD11 . 27349 1 546 . 1 1 50 50 ILE HD12 H 1 0.344 0.00 . 1 . . . . . 47 ILE HD12 . 27349 1 547 . 1 1 50 50 ILE HD13 H 1 0.347 0.00 . 1 . . . . . 47 ILE HD13 . 27349 1 548 . 1 1 50 50 ILE C C 13 173.687 0.00 . 1 . . . . . 47 ILE C . 27349 1 549 . 1 1 50 50 ILE CA C 13 59.835 0.19 . 1 . . . . . 47 ILE CA . 27349 1 550 . 1 1 50 50 ILE CB C 13 37.181 0.02 . 1 . . . . . 47 ILE CB . 27349 1 551 . 1 1 50 50 ILE CG1 C 13 27.482 0.00 . 1 . . . . . 47 ILE CG1 . 27349 1 552 . 1 1 50 50 ILE CG2 C 13 18.701 0.01 . 1 . . . . . 47 ILE CG2 . 27349 1 553 . 1 1 50 50 ILE CD1 C 13 11.815 0.01 . 1 . . . . . 47 ILE CD1 . 27349 1 554 . 1 1 50 50 ILE N N 15 126.328 0.06 . 1 . . . . . 47 ILE N . 27349 1 555 . 1 1 51 51 LEU H H 1 8.736 0.00 . 1 . . . . . 48 LEU H . 27349 1 556 . 1 1 51 51 LEU HA H 1 4.644 0.01 . 1 . . . . . 48 LEU HA . 27349 1 557 . 1 1 51 51 LEU HB2 H 1 1.507 0.01 . 2 . . . . . 48 LEU HB2 . 27349 1 558 . 1 1 51 51 LEU HB3 H 1 1.593 0.01 . 2 . . . . . 48 LEU HB3 . 27349 1 559 . 1 1 51 51 LEU HG H 1 1.452 0.00 . 1 . . . . . 48 LEU HG . 27349 1 560 . 1 1 51 51 LEU HD11 H 1 0.830 0.01 . 2 . . . . . 48 LEU HD11 . 27349 1 561 . 1 1 51 51 LEU HD12 H 1 0.830 0.01 . 2 . . . . . 48 LEU HD11 . 27349 1 562 . 1 1 51 51 LEU HD13 H 1 0.830 0.01 . 2 . . . . . 48 LEU HD11 . 27349 1 563 . 1 1 51 51 LEU HD21 H 1 0.853 0.02 . 2 . . . . . 48 LEU HD21 . 27349 1 564 . 1 1 51 51 LEU HD22 H 1 0.853 0.02 . 2 . . . . . 48 LEU HD21 . 27349 1 565 . 1 1 51 51 LEU HD23 H 1 0.853 0.02 . 2 . . . . . 48 LEU HD21 . 27349 1 566 . 1 1 51 51 LEU C C 13 177.076 0.00 . 1 . . . . . 48 LEU C . 27349 1 567 . 1 1 51 51 LEU CA C 13 52.523 0.13 . 1 . . . . . 48 LEU CA . 27349 1 568 . 1 1 51 51 LEU CB C 13 45.098 0.09 . 1 . . . . . 48 LEU CB . 27349 1 569 . 1 1 51 51 LEU CG C 13 25.022 0.09 . 1 . . . . . 48 LEU CG . 27349 1 570 . 1 1 51 51 LEU CD1 C 13 23.057 0.03 . 2 . . . . . 48 LEU CD1 . 27349 1 571 . 1 1 51 51 LEU CD2 C 13 25.316 0.06 . 2 . . . . . 48 LEU CD2 . 27349 1 572 . 1 1 51 51 LEU N N 15 127.701 0.06 . 1 . . . . . 48 LEU N . 27349 1 573 . 1 1 52 52 GLU H H 1 8.722 0.01 . 1 . . . . . 49 GLU H . 27349 1 574 . 1 1 52 52 GLU HA H 1 3.589 0.02 . 1 . . . . . 49 GLU HA . 27349 1 575 . 1 1 52 52 GLU HB2 H 1 1.935 0.03 . 2 . . . . . 49 GLU HB2 . 27349 1 576 . 1 1 52 52 GLU HB3 H 1 1.985 0.00 . 2 . . . . . 49 GLU HB3 . 27349 1 577 . 1 1 52 52 GLU C C 13 177.225 0.00 . 1 . . . . . 49 GLU C . 27349 1 578 . 1 1 52 52 GLU CA C 13 58.809 0.09 . 1 . . . . . 49 GLU CA . 27349 1 579 . 1 1 52 52 GLU CB C 13 28.515 0.05 . 1 . . . . . 49 GLU CB . 27349 1 580 . 1 1 52 52 GLU CG C 13 36.427 0.00 . 1 . . . . . 49 GLU CG . 27349 1 581 . 1 1 52 52 GLU N N 15 119.154 0.05 . 1 . . . . . 49 GLU N . 27349 1 582 . 1 1 53 53 GLY H H 1 9.210 0.00 . 1 . . . . . 50 GLY H . 27349 1 583 . 1 1 53 53 GLY HA2 H 1 3.476 0.01 . 2 . . . . . 50 GLY HA2 . 27349 1 584 . 1 1 53 53 GLY HA3 H 1 4.433 0.03 . 2 . . . . . 50 GLY HA3 . 27349 1 585 . 1 1 53 53 GLY C C 13 174.371 0.00 . 1 . . . . . 50 GLY C . 27349 1 586 . 1 1 53 53 GLY CA C 13 44.670 0.06 . 1 . . . . . 50 GLY CA . 27349 1 587 . 1 1 53 53 GLY N N 15 113.965 0.02 . 1 . . . . . 50 GLY N . 27349 1 588 . 1 1 54 54 ASP H H 1 8.088 0.00 . 1 . . . . . 51 ASP H . 27349 1 589 . 1 1 54 54 ASP HA H 1 4.542 0.02 . 1 . . . . . 51 ASP HA . 27349 1 590 . 1 1 54 54 ASP HB2 H 1 2.319 0.01 . 2 . . . . . 51 ASP HB2 . 27349 1 591 . 1 1 54 54 ASP HB3 H 1 2.793 0.01 . 2 . . . . . 51 ASP HB3 . 27349 1 592 . 1 1 54 54 ASP C C 13 175.743 0.00 . 1 . . . . . 51 ASP C . 27349 1 593 . 1 1 54 54 ASP CA C 13 55.401 0.14 . 1 . . . . . 51 ASP CA . 27349 1 594 . 1 1 54 54 ASP CB C 13 41.069 0.06 . 1 . . . . . 51 ASP CB . 27349 1 595 . 1 1 54 54 ASP N N 15 121.375 0.02 . 1 . . . . . 51 ASP N . 27349 1 596 . 1 1 55 55 LYS H H 1 8.616 0.00 . 1 . . . . . 52 LYS H . 27349 1 597 . 1 1 55 55 LYS HA H 1 5.122 0.01 . 1 . . . . . 52 LYS HA . 27349 1 598 . 1 1 55 55 LYS HB2 H 1 1.776 0.02 . 2 . . . . . 52 LYS HB2 . 27349 1 599 . 1 1 55 55 LYS HB3 H 1 1.808 0.00 . 2 . . . . . 52 LYS HB3 . 27349 1 600 . 1 1 55 55 LYS HG2 H 1 1.549 0.01 . 2 . . . . . 52 LYS HG2 . 27349 1 601 . 1 1 55 55 LYS C C 13 176.554 0.00 . 1 . . . . . 52 LYS C . 27349 1 602 . 1 1 55 55 LYS CA C 13 54.787 0.20 . 1 . . . . . 52 LYS CA . 27349 1 603 . 1 1 55 55 LYS CB C 13 32.635 0.01 . 1 . . . . . 52 LYS CB . 27349 1 604 . 1 1 55 55 LYS CG C 13 24.461 0.00 . 1 . . . . . 52 LYS CG . 27349 1 605 . 1 1 55 55 LYS N N 15 121.499 0.05 . 1 . . . . . 52 LYS N . 27349 1 606 . 1 1 56 56 VAL H H 1 8.860 0.00 . 1 . . . . . 53 VAL H . 27349 1 607 . 1 1 56 56 VAL HA H 1 5.049 0.02 . 1 . . . . . 53 VAL HA . 27349 1 608 . 1 1 56 56 VAL HB H 1 2.176 0.02 . 1 . . . . . 53 VAL HB . 27349 1 609 . 1 1 56 56 VAL HG11 H 1 0.445 0.03 . 2 . . . . . 53 VAL HG11 . 27349 1 610 . 1 1 56 56 VAL HG12 H 1 0.399 0.01 . 2 . . . . . 53 VAL HG12 . 27349 1 611 . 1 1 56 56 VAL HG13 H 1 0.405 0.00 . 2 . . . . . 53 VAL HG13 . 27349 1 612 . 1 1 56 56 VAL HG21 H 1 0.626 0.02 . 2 . . . . . 53 VAL HG21 . 27349 1 613 . 1 1 56 56 VAL HG22 H 1 0.626 0.02 . 2 . . . . . 53 VAL HG21 . 27349 1 614 . 1 1 56 56 VAL HG23 H 1 0.626 0.02 . 2 . . . . . 53 VAL HG21 . 27349 1 615 . 1 1 56 56 VAL C C 13 174.066 0.00 . 1 . . . . . 53 VAL C . 27349 1 616 . 1 1 56 56 VAL CA C 13 58.055 0.14 . 1 . . . . . 53 VAL CA . 27349 1 617 . 1 1 56 56 VAL CB C 13 35.904 0.04 . 1 . . . . . 53 VAL CB . 27349 1 618 . 1 1 56 56 VAL CG1 C 13 18.095 0.05 . 2 . . . . . 53 VAL CG1 . 27349 1 619 . 1 1 56 56 VAL CG2 C 13 22.501 0.04 . 2 . . . . . 53 VAL CG2 . 27349 1 620 . 1 1 56 56 VAL N N 15 114.740 0.04 . 1 . . . . . 53 VAL N . 27349 1 621 . 1 1 57 57 ASN H H 1 8.174 0.01 . 1 . . . . . 54 ASN H . 27349 1 622 . 1 1 57 57 ASN HA H 1 5.080 0.01 . 1 . . . . . 54 ASN HA . 27349 1 623 . 1 1 57 57 ASN HB2 H 1 1.918 0.03 . 2 . . . . . 54 ASN HB2 . 27349 1 624 . 1 1 57 57 ASN HB3 H 1 2.223 0.01 . 2 . . . . . 54 ASN HB3 . 27349 1 625 . 1 1 57 57 ASN HD21 H 1 6.827 0.00 . 2 . . . . . 54 ASN HD21 . 27349 1 626 . 1 1 57 57 ASN HD22 H 1 6.924 0.00 . 2 . . . . . 54 ASN HD22 . 27349 1 627 . 1 1 57 57 ASN C C 13 174.136 0.00 . 1 . . . . . 54 ASN C . 27349 1 628 . 1 1 57 57 ASN CA C 13 52.785 0.12 . 1 . . . . . 54 ASN CA . 27349 1 629 . 1 1 57 57 ASN CB C 13 40.882 0.10 . 1 . . . . . 54 ASN CB . 27349 1 630 . 1 1 57 57 ASN N N 15 119.010 0.02 . 1 . . . . . 54 ASN N . 27349 1 631 . 1 1 57 57 ASN ND2 N 15 111.125 0.00 . 1 . . . . . 54 ASN ND2 . 27349 1 632 . 1 1 58 58 VAL H H 1 9.169 0.00 . 1 . . . . . 55 VAL H . 27349 1 633 . 1 1 58 58 VAL HA H 1 4.815 0.01 . 1 . . . . . 55 VAL HA . 27349 1 634 . 1 1 58 58 VAL HB H 1 1.759 0.01 . 1 . . . . . 55 VAL HB . 27349 1 635 . 1 1 58 58 VAL HG11 H 1 0.710 0.02 . 2 . . . . . 55 VAL HG11 . 27349 1 636 . 1 1 58 58 VAL HG12 H 1 0.710 0.02 . 2 . . . . . 55 VAL HG11 . 27349 1 637 . 1 1 58 58 VAL HG13 H 1 0.710 0.02 . 2 . . . . . 55 VAL HG11 . 27349 1 638 . 1 1 58 58 VAL HG21 H 1 0.643 0.02 . 2 . . . . . 55 VAL HG21 . 27349 1 639 . 1 1 58 58 VAL HG22 H 1 0.643 0.02 . 2 . . . . . 55 VAL HG21 . 27349 1 640 . 1 1 58 58 VAL HG23 H 1 0.643 0.02 . 2 . . . . . 55 VAL HG21 . 27349 1 641 . 1 1 58 58 VAL C C 13 173.698 0.00 . 1 . . . . . 55 VAL C . 27349 1 642 . 1 1 58 58 VAL CA C 13 59.804 0.14 . 1 . . . . . 55 VAL CA . 27349 1 643 . 1 1 58 58 VAL CB C 13 34.758 0.10 . 1 . . . . . 55 VAL CB . 27349 1 644 . 1 1 58 58 VAL CG1 C 13 23.069 0.05 . 2 . . . . . 55 VAL CG1 . 27349 1 645 . 1 1 58 58 VAL CG2 C 13 22.066 0.12 . 2 . . . . . 55 VAL CG2 . 27349 1 646 . 1 1 58 58 VAL N N 15 123.178 0.04 . 1 . . . . . 55 VAL N . 27349 1 647 . 1 1 59 59 GLU H H 1 9.031 0.00 . 1 . . . . . 56 GLU H . 27349 1 648 . 1 1 59 59 GLU HA H 1 5.221 0.02 . 1 . . . . . 56 GLU HA . 27349 1 649 . 1 1 59 59 GLU HB2 H 1 1.963 0.00 . 2 . . . . . 56 GLU HB2 . 27349 1 650 . 1 1 59 59 GLU HB3 H 1 1.968 0.00 . 2 . . . . . 56 GLU HB3 . 27349 1 651 . 1 1 59 59 GLU HG2 H 1 2.298 0.00 . 2 . . . . . 56 GLU HG2 . 27349 1 652 . 1 1 59 59 GLU C C 13 176.494 0.00 . 1 . . . . . 56 GLU C . 27349 1 653 . 1 1 59 59 GLU CA C 13 54.333 0.14 . 1 . . . . . 56 GLU CA . 27349 1 654 . 1 1 59 59 GLU CB C 13 32.832 0.02 . 1 . . . . . 56 GLU CB . 27349 1 655 . 1 1 59 59 GLU CG C 13 37.042 0.00 . 1 . . . . . 56 GLU CG . 27349 1 656 . 1 1 59 59 GLU N N 15 124.201 0.02 . 1 . . . . . 56 GLU N . 27349 1 657 . 1 1 60 60 LEU H H 1 9.146 0.00 . 1 . . . . . 57 LEU H . 27349 1 658 . 1 1 60 60 LEU HA H 1 4.809 0.02 . 1 . . . . . 57 LEU HA . 27349 1 659 . 1 1 60 60 LEU HB2 H 1 1.520 0.01 . 2 . . . . . 57 LEU HB2 . 27349 1 660 . 1 1 60 60 LEU HB3 H 1 1.756 0.02 . 2 . . . . . 57 LEU HB3 . 27349 1 661 . 1 1 60 60 LEU HG H 1 1.558 0.01 . 1 . . . . . 57 LEU HG . 27349 1 662 . 1 1 60 60 LEU HD11 H 1 0.784 0.01 . 2 . . . . . 57 LEU HD11 . 27349 1 663 . 1 1 60 60 LEU HD12 H 1 0.784 0.01 . 2 . . . . . 57 LEU HD11 . 27349 1 664 . 1 1 60 60 LEU HD13 H 1 0.784 0.01 . 2 . . . . . 57 LEU HD11 . 27349 1 665 . 1 1 60 60 LEU HD21 H 1 0.748 0.01 . 2 . . . . . 57 LEU HD21 . 27349 1 666 . 1 1 60 60 LEU HD22 H 1 0.748 0.01 . 2 . . . . . 57 LEU HD21 . 27349 1 667 . 1 1 60 60 LEU HD23 H 1 0.748 0.01 . 2 . . . . . 57 LEU HD21 . 27349 1 668 . 1 1 60 60 LEU C C 13 175.945 0.00 . 1 . . . . . 57 LEU C . 27349 1 669 . 1 1 60 60 LEU CA C 13 54.680 0.09 . 1 . . . . . 57 LEU CA . 27349 1 670 . 1 1 60 60 LEU CB C 13 44.090 0.06 . 1 . . . . . 57 LEU CB . 27349 1 671 . 1 1 60 60 LEU CG C 13 27.723 0.04 . 1 . . . . . 57 LEU CG . 27349 1 672 . 1 1 60 60 LEU CD2 C 13 26.212 0.15 . 2 . . . . . 57 LEU CD2 . 27349 1 673 . 1 1 60 60 LEU N N 15 125.960 0.04 . 1 . . . . . 57 LEU N . 27349 1 674 . 1 1 61 61 SER H H 1 9.050 0.00 . 1 . . . . . 58 SER H . 27349 1 675 . 1 1 61 61 SER HA H 1 4.500 0.00 . 1 . . . . . 58 SER HA . 27349 1 676 . 1 1 61 61 SER HB2 H 1 3.917 0.06 . 2 . . . . . 58 SER HB2 . 27349 1 677 . 1 1 61 61 SER HB3 H 1 4.163 0.02 . 2 . . . . . 58 SER HB3 . 27349 1 678 . 1 1 61 61 SER CA C 13 55.229 0.06 . 1 . . . . . 58 SER CA . 27349 1 679 . 1 1 61 61 SER CB C 13 64.476 0.06 . 1 . . . . . 58 SER CB . 27349 1 680 . 1 1 61 61 SER N N 15 117.251 0.03 . 1 . . . . . 58 SER N . 27349 1 681 . 1 1 62 62 PRO HA H 1 4.115 0.01 . 1 . . . . . 59 PRO HA . 27349 1 682 . 1 1 62 62 PRO HB2 H 1 1.518 0.02 . 2 . . . . . 59 PRO HB2 . 27349 1 683 . 1 1 62 62 PRO HB3 H 1 2.111 0.02 . 2 . . . . . 59 PRO HB3 . 27349 1 684 . 1 1 62 62 PRO HG2 H 1 1.837 0.00 . 2 . . . . . 59 PRO HG2 . 27349 1 685 . 1 1 62 62 PRO HG3 H 1 1.842 0.00 . 2 . . . . . 59 PRO HG3 . 27349 1 686 . 1 1 62 62 PRO HD3 H 1 3.746 0.00 . 2 . . . . . 59 PRO HD3 . 27349 1 687 . 1 1 62 62 PRO CA C 13 63.836 0.06 . 1 . . . . . 59 PRO CA . 27349 1 688 . 1 1 62 62 PRO CB C 13 31.716 0.00 . 1 . . . . . 59 PRO CB . 27349 1 689 . 1 1 62 62 PRO CG C 13 27.361 0.00 . 1 . . . . . 59 PRO CG . 27349 1 690 . 1 1 63 63 TYR H H 1 7.345 0.00 . 1 . . . . . 60 TYR H . 27349 1 691 . 1 1 63 63 TYR HA H 1 4.502 0.02 . 1 . . . . . 60 TYR HA . 27349 1 692 . 1 1 63 63 TYR HB2 H 1 2.766 0.01 . 2 . . . . . 60 TYR HB2 . 27349 1 693 . 1 1 63 63 TYR HB3 H 1 3.281 0.02 . 2 . . . . . 60 TYR HB3 . 27349 1 694 . 1 1 63 63 TYR HD1 H 1 7.092 0.00 . 3 . . . . . 60 TYR HD1 . 27349 1 695 . 1 1 63 63 TYR HD2 H 1 7.095 0.00 . 3 . . . . . 60 TYR HD2 . 27349 1 696 . 1 1 63 63 TYR CA C 13 57.321 0.18 . 1 . . . . . 60 TYR CA . 27349 1 697 . 1 1 63 63 TYR CB C 13 38.237 0.03 . 1 . . . . . 60 TYR CB . 27349 1 698 . 1 1 63 63 TYR N N 15 114.186 0.05 . 1 . . . . . 60 TYR N . 27349 1 699 . 1 1 64 64 ASP H H 1 7.517 0.01 . 1 . . . . . 61 ASP H . 27349 1 700 . 1 1 64 64 ASP HA H 1 4.763 0.01 . 1 . . . . . 61 ASP HA . 27349 1 701 . 1 1 64 64 ASP HB2 H 1 2.744 0.01 . 2 . . . . . 61 ASP HB2 . 27349 1 702 . 1 1 64 64 ASP HB3 H 1 2.774 0.00 . 2 . . . . . 61 ASP HB3 . 27349 1 703 . 1 1 64 64 ASP C C 13 175.224 0.41 . 1 . . . . . 61 ASP C . 27349 1 704 . 1 1 64 64 ASP CA C 13 54.007 0.22 . 1 . . . . . 61 ASP CA . 27349 1 705 . 1 1 64 64 ASP CB C 13 40.938 0.05 . 1 . . . . . 61 ASP CB . 27349 1 706 . 1 1 64 64 ASP N N 15 118.132 0.02 . 1 . . . . . 61 ASP N . 27349 1 707 . 1 1 65 65 LEU H H 1 8.834 0.00 . 1 . . . . . 62 LEU H . 27349 1 708 . 1 1 65 65 LEU HA H 1 4.437 0.01 . 1 . . . . . 62 LEU HA . 27349 1 709 . 1 1 65 65 LEU HB2 H 1 1.676 0.00 . 2 . . . . . 62 LEU HB2 . 27349 1 710 . 1 1 65 65 LEU HB3 H 1 1.662 0.00 . 2 . . . . . 62 LEU HB3 . 27349 1 711 . 1 1 65 65 LEU HG H 1 1.604 0.00 . 1 . . . . . 62 LEU HG . 27349 1 712 . 1 1 65 65 LEU HD11 H 1 0.766 0.00 . 2 . . . . . 62 LEU HD11 . 27349 1 713 . 1 1 65 65 LEU HD12 H 1 0.766 0.00 . 2 . . . . . 62 LEU HD11 . 27349 1 714 . 1 1 65 65 LEU HD13 H 1 0.766 0.00 . 2 . . . . . 62 LEU HD11 . 27349 1 715 . 1 1 65 65 LEU HD21 H 1 0.817 0.03 . 2 . . . . . 62 LEU HD21 . 27349 1 716 . 1 1 65 65 LEU HD22 H 1 0.840 0.00 . 2 . . . . . 62 LEU HD22 . 27349 1 717 . 1 1 65 65 LEU HD23 H 1 0.840 0.00 . 2 . . . . . 62 LEU HD22 . 27349 1 718 . 1 1 65 65 LEU C C 13 176.884 0.00 . 1 . . . . . 62 LEU C . 27349 1 719 . 1 1 65 65 LEU CA C 13 55.451 0.18 . 1 . . . . . 62 LEU CA . 27349 1 720 . 1 1 65 65 LEU CB C 13 40.871 0.00 . 1 . . . . . 62 LEU CB . 27349 1 721 . 1 1 65 65 LEU CD1 C 13 23.444 0.00 . 2 . . . . . 62 LEU CD1 . 27349 1 722 . 1 1 65 65 LEU CD2 C 13 25.059 0.22 . 2 . . . . . 62 LEU CD2 . 27349 1 723 . 1 1 65 65 LEU N N 15 124.037 0.06 . 1 . . . . . 62 LEU N . 27349 1 724 . 1 1 66 66 THR H H 1 8.376 0.00 . 1 . . . . . 63 THR H . 27349 1 725 . 1 1 66 66 THR HA H 1 4.525 0.01 . 1 . . . . . 63 THR HA . 27349 1 726 . 1 1 66 66 THR HB H 1 4.494 0.02 . 1 . . . . . 63 THR HB . 27349 1 727 . 1 1 66 66 THR HG21 H 1 1.278 0.00 . 1 . . . . . 63 THR HG21 . 27349 1 728 . 1 1 66 66 THR HG22 H 1 1.252 0.01 . 1 . . . . . 63 THR HG22 . 27349 1 729 . 1 1 66 66 THR HG23 H 1 1.272 0.00 . 1 . . . . . 63 THR HG23 . 27349 1 730 . 1 1 66 66 THR C C 13 174.615 0.00 . 1 . . . . . 63 THR C . 27349 1 731 . 1 1 66 66 THR CA C 13 62.551 0.11 . 1 . . . . . 63 THR CA . 27349 1 732 . 1 1 66 66 THR CB C 13 69.956 0.12 . 1 . . . . . 63 THR CB . 27349 1 733 . 1 1 66 66 THR CG2 C 13 21.512 0.00 . 1 . . . . . 63 THR CG2 . 27349 1 734 . 1 1 66 66 THR N N 15 107.276 0.03 . 1 . . . . . 63 THR N . 27349 1 735 . 1 1 67 67 ARG H H 1 7.398 0.00 . 1 . . . . . 64 ARG H . 27349 1 736 . 1 1 67 67 ARG HA H 1 5.490 0.01 . 1 . . . . . 64 ARG HA . 27349 1 737 . 1 1 67 67 ARG HB2 H 1 1.790 0.01 . 2 . . . . . 64 ARG HB2 . 27349 1 738 . 1 1 67 67 ARG HB3 H 1 1.976 0.03 . 2 . . . . . 64 ARG HB3 . 27349 1 739 . 1 1 67 67 ARG HG2 H 1 1.684 0.01 . 2 . . . . . 64 ARG HG2 . 27349 1 740 . 1 1 67 67 ARG HG3 H 1 1.638 0.00 . 2 . . . . . 64 ARG HG3 . 27349 1 741 . 1 1 67 67 ARG HD2 H 1 3.288 0.00 . 2 . . . . . 64 ARG HD2 . 27349 1 742 . 1 1 67 67 ARG HD3 H 1 3.294 0.00 . 2 . . . . . 64 ARG HD3 . 27349 1 743 . 1 1 67 67 ARG C C 13 174.893 0.00 . 1 . . . . . 64 ARG C . 27349 1 744 . 1 1 67 67 ARG CA C 13 54.139 0.16 . 1 . . . . . 64 ARG CA . 27349 1 745 . 1 1 67 67 ARG CB C 13 34.291 0.02 . 1 . . . . . 64 ARG CB . 27349 1 746 . 1 1 67 67 ARG CG C 13 26.997 0.01 . 1 . . . . . 64 ARG CG . 27349 1 747 . 1 1 67 67 ARG CD C 13 43.722 0.00 . 1 . . . . . 64 ARG CD . 27349 1 748 . 1 1 67 67 ARG N N 15 120.856 0.04 . 1 . . . . . 64 ARG N . 27349 1 749 . 1 1 68 68 GLY H H 1 8.063 0.01 . 1 . . . . . 65 GLY H . 27349 1 750 . 1 1 68 68 GLY HA2 H 1 3.652 0.02 . 2 . . . . . 65 GLY HA2 . 27349 1 751 . 1 1 68 68 GLY HA3 H 1 4.767 0.02 . 2 . . . . . 65 GLY HA3 . 27349 1 752 . 1 1 68 68 GLY C C 13 172.021 0.00 . 1 . . . . . 65 GLY C . 27349 1 753 . 1 1 68 68 GLY CA C 13 45.302 0.08 . 1 . . . . . 65 GLY CA . 27349 1 754 . 1 1 68 68 GLY N N 15 105.826 0.06 . 1 . . . . . 65 GLY N . 27349 1 755 . 1 1 69 69 ARG H H 1 8.653 0.01 . 1 . . . . . 66 ARG H . 27349 1 756 . 1 1 69 69 ARG HA H 1 5.071 0.02 . 1 . . . . . 66 ARG HA . 27349 1 757 . 1 1 69 69 ARG HB2 H 1 1.593 0.01 . 2 . . . . . 66 ARG HB2 . 27349 1 758 . 1 1 69 69 ARG HB3 H 1 1.583 0.01 . 2 . . . . . 66 ARG HB3 . 27349 1 759 . 1 1 69 69 ARG HG2 H 1 1.467 0.00 . 2 . . . . . 66 ARG HG2 . 27349 1 760 . 1 1 69 69 ARG HG3 H 1 1.465 0.00 . 2 . . . . . 66 ARG HG3 . 27349 1 761 . 1 1 69 69 ARG HD2 H 1 3.219 0.01 . 2 . . . . . 66 ARG HD2 . 27349 1 762 . 1 1 69 69 ARG HD3 H 1 3.235 0.00 . 2 . . . . . 66 ARG HD3 . 27349 1 763 . 1 1 69 69 ARG C C 13 175.354 0.00 . 1 . . . . . 66 ARG C . 27349 1 764 . 1 1 69 69 ARG CA C 13 53.484 0.13 . 1 . . . . . 66 ARG CA . 27349 1 765 . 1 1 69 69 ARG CB C 13 33.584 0.04 . 1 . . . . . 66 ARG CB . 27349 1 766 . 1 1 69 69 ARG CG C 13 26.975 0.00 . 1 . . . . . 66 ARG CG . 27349 1 767 . 1 1 69 69 ARG CD C 13 43.696 0.00 . 1 . . . . . 66 ARG CD . 27349 1 768 . 1 1 69 69 ARG N N 15 119.029 0.02 . 1 . . . . . 66 ARG N . 27349 1 769 . 1 1 70 70 ILE H H 1 8.883 0.00 . 1 . . . . . 67 ILE H . 27349 1 770 . 1 1 70 70 ILE HA H 1 4.543 0.02 . 1 . . . . . 67 ILE HA . 27349 1 771 . 1 1 70 70 ILE HB H 1 1.519 0.01 . 1 . . . . . 67 ILE HB . 27349 1 772 . 1 1 70 70 ILE HG12 H 1 1.502 0.01 . 2 . . . . . 67 ILE HG12 . 27349 1 773 . 1 1 70 70 ILE HG13 H 1 0.684 0.01 . 2 . . . . . 67 ILE HG13 . 27349 1 774 . 1 1 70 70 ILE HG21 H 1 0.742 0.02 . 1 . . . . . 67 ILE HG21 . 27349 1 775 . 1 1 70 70 ILE HG22 H 1 0.689 0.01 . 1 . . . . . 67 ILE HG22 . 27349 1 776 . 1 1 70 70 ILE HG23 H 1 0.689 0.01 . 1 . . . . . 67 ILE HG22 . 27349 1 777 . 1 1 70 70 ILE HD11 H 1 0.388 0.01 . 1 . . . . . 67 ILE HD11 . 27349 1 778 . 1 1 70 70 ILE HD12 H 1 0.376 0.00 . 1 . . . . . 67 ILE HD12 . 27349 1 779 . 1 1 70 70 ILE HD13 H 1 0.373 0.00 . 1 . . . . . 67 ILE HD13 . 27349 1 780 . 1 1 70 70 ILE C C 13 176.103 0.00 . 1 . . . . . 67 ILE C . 27349 1 781 . 1 1 70 70 ILE CA C 13 61.715 0.14 . 1 . . . . . 67 ILE CA . 27349 1 782 . 1 1 70 70 ILE CB C 13 39.453 0.05 . 1 . . . . . 67 ILE CB . 27349 1 783 . 1 1 70 70 ILE CG1 C 13 28.695 0.01 . 1 . . . . . 67 ILE CG1 . 27349 1 784 . 1 1 70 70 ILE CG2 C 13 16.746 0.00 . 1 . . . . . 67 ILE CG2 . 27349 1 785 . 1 1 70 70 ILE CD1 C 13 14.000 0.13 . 1 . . . . . 67 ILE CD1 . 27349 1 786 . 1 1 70 70 ILE N N 15 124.764 0.04 . 1 . . . . . 67 ILE N . 27349 1 787 . 1 1 71 71 THR H H 1 8.675 0.00 . 1 . . . . . 68 THR H . 27349 1 788 . 1 1 71 71 THR HA H 1 4.599 0.03 . 1 . . . . . 68 THR HA . 27349 1 789 . 1 1 71 71 THR HB H 1 4.399 0.01 . 1 . . . . . 68 THR HB . 27349 1 790 . 1 1 71 71 THR HG21 H 1 1.093 0.01 . 1 . . . . . 68 THR HG21 . 27349 1 791 . 1 1 71 71 THR HG22 H 1 1.117 0.01 . 1 . . . . . 68 THR HG22 . 27349 1 792 . 1 1 71 71 THR HG23 H 1 1.129 0.00 . 1 . . . . . 68 THR HG23 . 27349 1 793 . 1 1 71 71 THR C C 13 175.078 0.00 . 1 . . . . . 68 THR C . 27349 1 794 . 1 1 71 71 THR CA C 13 61.441 0.16 . 1 . . . . . 68 THR CA . 27349 1 795 . 1 1 71 71 THR CB C 13 69.533 0.15 . 1 . . . . . 68 THR CB . 27349 1 796 . 1 1 71 71 THR CG2 C 13 22.497 0.07 . 1 . . . . . 68 THR CG2 . 27349 1 797 . 1 1 71 71 THR N N 15 117.101 0.03 . 1 . . . . . 68 THR N . 27349 1 798 . 1 1 72 72 TRP H H 1 7.557 0.00 . 1 . . . . . 69 TRP H . 27349 1 799 . 1 1 72 72 TRP HA H 1 4.624 0.01 . 1 . . . . . 69 TRP HA . 27349 1 800 . 1 1 72 72 TRP HB2 H 1 3.363 0.05 . 2 . . . . . 69 TRP HB2 . 27349 1 801 . 1 1 72 72 TRP HB3 H 1 3.417 0.02 . 2 . . . . . 69 TRP HB3 . 27349 1 802 . 1 1 72 72 TRP HD1 H 1 7.050 0.02 . 1 . . . . . 69 TRP HD1 . 27349 1 803 . 1 1 72 72 TRP HE1 H 1 10.207 0.01 . 1 . . . . . 69 TRP HE1 . 27349 1 804 . 1 1 72 72 TRP HE3 H 1 7.561 0.00 . 1 . . . . . 69 TRP HE3 . 27349 1 805 . 1 1 72 72 TRP HZ2 H 1 7.442 0.00 . 1 . . . . . 69 TRP HZ2 . 27349 1 806 . 1 1 72 72 TRP C C 13 173.454 0.00 . 1 . . . . . 69 TRP C . 27349 1 807 . 1 1 72 72 TRP CA C 13 57.678 0.18 . 1 . . . . . 69 TRP CA . 27349 1 808 . 1 1 72 72 TRP CB C 13 31.634 0.04 . 1 . . . . . 69 TRP CB . 27349 1 809 . 1 1 72 72 TRP N N 15 118.849 0.08 . 1 . . . . . 69 TRP N . 27349 1 810 . 1 1 72 72 TRP NE1 N 15 130.663 0.03 . 1 . . . . . 69 TRP NE1 . 27349 1 811 . 1 1 73 73 ARG H H 1 7.890 0.01 . 1 . . . . . 70 ARG H . 27349 1 812 . 1 1 73 73 ARG HA H 1 4.636 0.02 . 1 . . . . . 70 ARG HA . 27349 1 813 . 1 1 73 73 ARG HB2 H 1 1.295 0.00 . 2 . . . . . 70 ARG HB2 . 27349 1 814 . 1 1 73 73 ARG HB3 H 1 1.565 0.01 . 2 . . . . . 70 ARG HB3 . 27349 1 815 . 1 1 73 73 ARG HD2 H 1 2.972 0.00 . 2 . . . . . 70 ARG HD2 . 27349 1 816 . 1 1 73 73 ARG HD3 H 1 2.983 0.00 . 2 . . . . . 70 ARG HD3 . 27349 1 817 . 1 1 73 73 ARG C C 13 174.363 0.00 . 1 . . . . . 70 ARG C . 27349 1 818 . 1 1 73 73 ARG CA C 13 55.050 0.15 . 1 . . . . . 70 ARG CA . 27349 1 819 . 1 1 73 73 ARG CB C 13 31.845 0.04 . 1 . . . . . 70 ARG CB . 27349 1 820 . 1 1 73 73 ARG CG C 13 26.424 0.00 . 1 . . . . . 70 ARG CG . 27349 1 821 . 1 1 73 73 ARG CD C 13 43.385 0.00 . 1 . . . . . 70 ARG CD . 27349 1 822 . 1 1 73 73 ARG N N 15 124.196 0.03 . 1 . . . . . 70 ARG N . 27349 1 823 . 1 1 74 74 LYS H H 1 8.498 0.00 . 1 . . . . . 71 LYS H . 27349 1 824 . 1 1 74 74 LYS HA H 1 4.142 0.01 . 1 . . . . . 71 LYS HA . 27349 1 825 . 1 1 74 74 LYS HB2 H 1 1.562 0.00 . 2 . . . . . 71 LYS HB2 . 27349 1 826 . 1 1 74 74 LYS HB3 H 1 1.755 0.01 . 2 . . . . . 71 LYS HB3 . 27349 1 827 . 1 1 74 74 LYS C C 13 175.747 0.00 . 1 . . . . . 71 LYS C . 27349 1 828 . 1 1 74 74 LYS CA C 13 56.618 0.12 . 1 . . . . . 71 LYS CA . 27349 1 829 . 1 1 74 74 LYS CB C 13 33.256 0.02 . 1 . . . . . 71 LYS CB . 27349 1 830 . 1 1 74 74 LYS CG C 13 25.243 0.00 . 1 . . . . . 71 LYS CG . 27349 1 831 . 1 1 74 74 LYS CD C 13 29.315 0.00 . 1 . . . . . 71 LYS CD . 27349 1 832 . 1 1 74 74 LYS N N 15 126.162 0.03 . 1 . . . . . 71 LYS N . 27349 1 833 . 1 1 75 75 LYS H H 1 8.405 0.00 . 1 . . . . . 72 LYS H . 27349 1 834 . 1 1 75 75 LYS HA H 1 4.250 0.02 . 1 . . . . . 72 LYS HA . 27349 1 835 . 1 1 75 75 LYS HB2 H 1 1.751 0.00 . 2 . . . . . 72 LYS HB2 . 27349 1 836 . 1 1 75 75 LYS HB3 H 1 1.756 0.00 . 2 . . . . . 72 LYS HB3 . 27349 1 837 . 1 1 75 75 LYS C C 13 176.042 0.00 . 1 . . . . . 72 LYS C . 27349 1 838 . 1 1 75 75 LYS CA C 13 56.516 0.21 . 1 . . . . . 72 LYS CA . 27349 1 839 . 1 1 75 75 LYS CB C 13 33.161 0.04 . 1 . . . . . 72 LYS CB . 27349 1 840 . 1 1 75 75 LYS CG C 13 24.692 0.00 . 1 . . . . . 72 LYS CG . 27349 1 841 . 1 1 75 75 LYS CD C 13 29.107 0.00 . 1 . . . . . 72 LYS CD . 27349 1 842 . 1 1 75 75 LYS N N 15 124.038 0.05 . 1 . . . . . 72 LYS N . 27349 1 843 . 1 1 76 76 LEU H H 1 8.332 0.00 . 1 . . . . . 73 LEU H . 27349 1 844 . 1 1 76 76 LEU HA H 1 4.410 0.02 . 1 . . . . . 73 LEU HA . 27349 1 845 . 1 1 76 76 LEU HB2 H 1 1.522 0.00 . 2 . . . . . 73 LEU HB2 . 27349 1 846 . 1 1 76 76 LEU HB3 H 1 1.532 0.00 . 2 . . . . . 73 LEU HB3 . 27349 1 847 . 1 1 76 76 LEU C C 13 176.760 0.00 . 1 . . . . . 73 LEU C . 27349 1 848 . 1 1 76 76 LEU CA C 13 55.069 0.10 . 1 . . . . . 73 LEU CA . 27349 1 849 . 1 1 76 76 LEU CB C 13 42.535 0.07 . 1 . . . . . 73 LEU CB . 27349 1 850 . 1 1 76 76 LEU CG C 13 27.061 0.00 . 1 . . . . . 73 LEU CG . 27349 1 851 . 1 1 76 76 LEU CD1 C 13 23.430 0.00 . 2 . . . . . 73 LEU CD1 . 27349 1 852 . 1 1 76 76 LEU CD2 C 13 24.061 0.00 . 2 . . . . . 73 LEU CD2 . 27349 1 853 . 1 1 76 76 LEU N N 15 125.560 0.04 . 1 . . . . . 73 LEU N . 27349 1 854 . 1 1 77 77 GLU H H 1 8.445 0.00 . 1 . . . . . 74 GLU H . 27349 1 855 . 1 1 77 77 GLU CA C 13 55.871 0.00 . 1 . . . . . 74 GLU CA . 27349 1 856 . 1 1 77 77 GLU CB C 13 30.597 0.00 . 1 . . . . . 74 GLU CB . 27349 1 857 . 1 1 77 77 GLU N N 15 122.945 0.03 . 1 . . . . . 74 GLU N . 27349 1 stop_ save_