data_27396 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27396 _Entry.Title ; NMR assignments of Rous sarcoma virus matrix protein (M domain) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-06 _Entry.Accession_date 2018-02-06 _Entry.Last_release_date 2018-02-07 _Entry.Original_release_date 2018-02-07 _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 Jiri Vlach . . . . 27396 2 Jamil Saad . . . . 27396 3 Gunnar Eastep . . . . 27396 4 Ruba Ghanam . . . . 27396 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' . 27396 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Saad Lab' . 27396 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27396 spectral_peak_list 1 27396 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 27396 '15N chemical shifts' 89 27396 '1H chemical shifts' 622 27396 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 . . 2018-10-15 . original BMRB . 27396 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27396 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; ASV MA interaction with phospholipids ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jiri Vlach . . . . 27396 1 2 Jamil Saad . . . . 27396 1 3 Gunnar Eastep . . . . 27396 1 4 Ruba Ghanam . . . . 27396 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27396 _Assembly.ID 1 _Assembly.Name sMA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 9201.7769 _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 'sRSV MA' 1 $sRSV_MA A . yes native no no . . 'residues 2-87' 27396 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sRSV_MA _Entity.Sf_category entity _Entity.Sf_framecode sRSV_MA _Entity.Entry_ID 27396 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sRSV_MA _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 ; SEAVIKVISSACKTYCGKTS PSKKEIGAMLSLLQKEGLLM SPSDLYSPGSWDPITAALSQ RAMILGKSGELKTWGLVLGA LKAAREE ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment p19 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9201.7769 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'MA residues 2-87; Ser1 from SUMO tag.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UniProt P03322 . P03322 . . . . . . . . . . . . . . 27396 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 27396 1 2 . GLU . 27396 1 3 . ALA . 27396 1 4 . VAL . 27396 1 5 . ILE . 27396 1 6 . LYS . 27396 1 7 . VAL . 27396 1 8 . ILE . 27396 1 9 . SER . 27396 1 10 . SER . 27396 1 11 . ALA . 27396 1 12 . CYS . 27396 1 13 . LYS . 27396 1 14 . THR . 27396 1 15 . TYR . 27396 1 16 . CYS . 27396 1 17 . GLY . 27396 1 18 . LYS . 27396 1 19 . THR . 27396 1 20 . SER . 27396 1 21 . PRO . 27396 1 22 . SER . 27396 1 23 . LYS . 27396 1 24 . LYS . 27396 1 25 . GLU . 27396 1 26 . ILE . 27396 1 27 . GLY . 27396 1 28 . ALA . 27396 1 29 . MET . 27396 1 30 . LEU . 27396 1 31 . SER . 27396 1 32 . LEU . 27396 1 33 . LEU . 27396 1 34 . GLN . 27396 1 35 . LYS . 27396 1 36 . GLU . 27396 1 37 . GLY . 27396 1 38 . LEU . 27396 1 39 . LEU . 27396 1 40 . MET . 27396 1 41 . SER . 27396 1 42 . PRO . 27396 1 43 . SER . 27396 1 44 . ASP . 27396 1 45 . LEU . 27396 1 46 . TYR . 27396 1 47 . SER . 27396 1 48 . PRO . 27396 1 49 . GLY . 27396 1 50 . SER . 27396 1 51 . TRP . 27396 1 52 . ASP . 27396 1 53 . PRO . 27396 1 54 . ILE . 27396 1 55 . THR . 27396 1 56 . ALA . 27396 1 57 . ALA . 27396 1 58 . LEU . 27396 1 59 . SER . 27396 1 60 . GLN . 27396 1 61 . ARG . 27396 1 62 . ALA . 27396 1 63 . MET . 27396 1 64 . ILE . 27396 1 65 . LEU . 27396 1 66 . GLY . 27396 1 67 . LYS . 27396 1 68 . SER . 27396 1 69 . GLY . 27396 1 70 . GLU . 27396 1 71 . LEU . 27396 1 72 . LYS . 27396 1 73 . THR . 27396 1 74 . TRP . 27396 1 75 . GLY . 27396 1 76 . LEU . 27396 1 77 . VAL . 27396 1 78 . LEU . 27396 1 79 . GLY . 27396 1 80 . ALA . 27396 1 81 . LEU . 27396 1 82 . LYS . 27396 1 83 . ALA . 27396 1 84 . ALA . 27396 1 85 . ARG . 27396 1 86 . GLU . 27396 1 87 . GLU . 27396 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 . SER 1 1 27396 1 . GLU 2 2 27396 1 . ALA 3 3 27396 1 . VAL 4 4 27396 1 . ILE 5 5 27396 1 . LYS 6 6 27396 1 . VAL 7 7 27396 1 . ILE 8 8 27396 1 . SER 9 9 27396 1 . SER 10 10 27396 1 . ALA 11 11 27396 1 . CYS 12 12 27396 1 . LYS 13 13 27396 1 . THR 14 14 27396 1 . TYR 15 15 27396 1 . CYS 16 16 27396 1 . GLY 17 17 27396 1 . LYS 18 18 27396 1 . THR 19 19 27396 1 . SER 20 20 27396 1 . PRO 21 21 27396 1 . SER 22 22 27396 1 . LYS 23 23 27396 1 . LYS 24 24 27396 1 . GLU 25 25 27396 1 . ILE 26 26 27396 1 . GLY 27 27 27396 1 . ALA 28 28 27396 1 . MET 29 29 27396 1 . LEU 30 30 27396 1 . SER 31 31 27396 1 . LEU 32 32 27396 1 . LEU 33 33 27396 1 . GLN 34 34 27396 1 . LYS 35 35 27396 1 . GLU 36 36 27396 1 . GLY 37 37 27396 1 . LEU 38 38 27396 1 . LEU 39 39 27396 1 . MET 40 40 27396 1 . SER 41 41 27396 1 . PRO 42 42 27396 1 . SER 43 43 27396 1 . ASP 44 44 27396 1 . LEU 45 45 27396 1 . TYR 46 46 27396 1 . SER 47 47 27396 1 . PRO 48 48 27396 1 . GLY 49 49 27396 1 . SER 50 50 27396 1 . TRP 51 51 27396 1 . ASP 52 52 27396 1 . PRO 53 53 27396 1 . ILE 54 54 27396 1 . THR 55 55 27396 1 . ALA 56 56 27396 1 . ALA 57 57 27396 1 . LEU 58 58 27396 1 . SER 59 59 27396 1 . GLN 60 60 27396 1 . ARG 61 61 27396 1 . ALA 62 62 27396 1 . MET 63 63 27396 1 . ILE 64 64 27396 1 . LEU 65 65 27396 1 . GLY 66 66 27396 1 . LYS 67 67 27396 1 . SER 68 68 27396 1 . GLY 69 69 27396 1 . GLU 70 70 27396 1 . LEU 71 71 27396 1 . LYS 72 72 27396 1 . THR 73 73 27396 1 . TRP 74 74 27396 1 . GLY 75 75 27396 1 . LEU 76 76 27396 1 . VAL 77 77 27396 1 . LEU 78 78 27396 1 . GLY 79 79 27396 1 . ALA 80 80 27396 1 . LEU 81 81 27396 1 . LYS 82 82 27396 1 . ALA 83 83 27396 1 . ALA 84 84 27396 1 . ARG 85 85 27396 1 . GLU 86 86 27396 1 . GLU 87 87 27396 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 27396 _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 $sRSV_MA . 11886 virus . 'Rous sarcoma virus' 'Rous sarcoma virus' . . Viruses . Alpharetrovirus 'Rous sarcoma virus' . . . . . . . . . . . . . 27396 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 27396 _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 $sRSV_MA . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 (DE3)' . . . . . pET28 . . . 27396 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N _Sample.Sf_category sample _Sample.Sf_framecode 13C15N _Sample.Entry_ID 27396 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sRSV MA' '[U-95% 13C; U-90% 15N]' . . 1 $sRSV_MA . . .5 . . mM . . . . 27396 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27396 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27396 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 27396 1 stop_ save_ save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 27396 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sRSV MA' '[U-95% 13C; U-90% 15N]' . . 1 $sRSV_MA . . .5 . . mM . . . . 27396 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27396 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27396 2 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 27396 2 stop_ save_ save_13C15ND2O _Sample.Sf_category sample _Sample.Sf_framecode 13C15ND2O _Sample.Entry_ID 27396 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sRSV MA' '[U-95% 13C; U-90% 15N]' . . 1 $sRSV_MA . . .5 . . mM . . . . 27396 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27396 3 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27396 3 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 27396 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 27396 _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' 0.100 . M 27396 1 pH 6.000 . pH 27396 1 pressure 1.000 . atm 27396 1 temperature 305 . K 27396 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27396 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27396 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 27396 1 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 27396 _Software.ID 2 _Software.Type . _Software.Name nmrDraw _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Frank Delaglio' . . 27396 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 27396 2 'Spectrum display' 27396 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 27396 _Software.ID 3 _Software.Type . _Software.Name nmrPipe _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Frank Delaglio' . . 27396 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 27396 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_II _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_II _NMR_spectrometer.Entry_ID 27396 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 27396 _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 Bruker_Avance_II Bruker DMX . 700 . . . 27396 1 stop_ save_ save_CPTCI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CPTCI _NMR_spectrometer_probe.Entry_ID 27396 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model CPTCI _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 27396 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 27396 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 1 3 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 1 4 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 1 6 '3D HNCA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 1 7 '3D HNCACB' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 1 8 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 1 9 '3D HNCO' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 1 10 'hCCH (hC_CH.relayed)' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 1 11 'hCCH-aro (hC_CH.relayed)' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $13C15ND2O isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_II 1 $CPTCI . . . . . . . . . . . . . . 27396 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 27396 _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 . . . . . 27396 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27396 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27396 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27396 _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 '3D 1H-15N NOESY' 1 $13C15N isotropic 27396 1 2 '3D 1H-15N TOCSY' 1 $13C15N isotropic 27396 1 3 '2D 1H-15N HSQC/HMQC' 2 $15N isotropic 27396 1 4 '2D 1H-13C HSQC/HMQC' 1 $13C15N isotropic 27396 1 5 '3D HN(CO)CA' 1 $13C15N isotropic 27396 1 6 '3D HNCA' 1 $13C15N isotropic 27396 1 7 '3D HNCACB' 1 $13C15N isotropic 27396 1 8 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' 1 $13C15N isotropic 27396 1 9 '3D HNCO' 1 $13C15N isotropic 27396 1 10 'hCCH (hC_CH.relayed)' 1 $13C15N isotropic 27396 1 11 'hCCH-aro (hC_CH.relayed)' 1 $13C15N isotropic 27396 1 12 '3D 1H-13C NOESY' 3 $13C15ND2O isotropic 27396 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 27396 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER H H 1 9.236 . . 1 . . 890 . . 1 SER H . 27396 1 2 . 1 1 1 1 SER HA H 1 3.885 0.006 . 1 . . 877 . . 1 SER HA . 27396 1 3 . 1 1 1 1 SER HB2 H 1 3.79 0.005 . 2 . . 879 . . 1 SER HB2 . 27396 1 4 . 1 1 1 1 SER HB3 H 1 4.022 0.005 . 2 . . 891 . . 1 SER HB3 . 27396 1 5 . 1 1 1 1 SER CA C 13 57.398 0.058 . 1 . . 876 . . 1 SER CA . 27396 1 6 . 1 1 1 1 SER CB C 13 65.651 0.033 . 1 . . 878 . . 1 SER CB . 27396 1 7 . 1 1 1 1 SER N N 15 123.789 . . 1 . . 889 . . 1 SER N . 27396 1 8 . 1 1 2 2 GLU H H 1 9.237 . . 1 . . 888 . . 2 GLU H . 27396 1 9 . 1 1 2 2 GLU HA H 1 4.142 0.002 . 1 . . 789 . . 2 GLU HA . 27396 1 10 . 1 1 2 2 GLU HB2 H 1 2.064 0.001 . 1 . . 880 . . 2 GLU HB2 . 27396 1 11 . 1 1 2 2 GLU HB3 H 1 2.064 0.001 . 1 . . 881 . . 2 GLU HB3 . 27396 1 12 . 1 1 2 2 GLU HG2 H 1 2.352 0.004 . 1 . . 874 . . 2 GLU HG2 . 27396 1 13 . 1 1 2 2 GLU HG3 H 1 2.352 0.004 . 1 . . 875 . . 2 GLU HG3 . 27396 1 14 . 1 1 2 2 GLU C C 13 177.787 . . 1 . . 896 . . 2 GLU C . 27396 1 15 . 1 1 2 2 GLU CA C 13 58.606 0.063 . 1 . . 336 . . 2 GLU CA . 27396 1 16 . 1 1 2 2 GLU CB C 13 29.762 0.019 . 1 . . 337 . . 2 GLU CB . 27396 1 17 . 1 1 2 2 GLU CG C 13 36.286 0.043 . 1 . . 788 . . 2 GLU CG . 27396 1 18 . 1 1 2 2 GLU N N 15 124.039 . . 1 . . 887 . . 2 GLU N . 27396 1 19 . 1 1 3 3 ALA H H 1 8.473 0.004 . 1 . . 161 . . 3 ALA H . 27396 1 20 . 1 1 3 3 ALA HA H 1 4.145 0.007 . 1 . . 500 . . 3 ALA HA . 27396 1 21 . 1 1 3 3 ALA HB1 H 1 1.462 0.002 . 1 . . 501 . . 3 ALA HB1 . 27396 1 22 . 1 1 3 3 ALA HB2 H 1 1.462 0.002 . 1 . . 501 . . 3 ALA HB2 . 27396 1 23 . 1 1 3 3 ALA HB3 H 1 1.462 0.002 . 1 . . 501 . . 3 ALA HB3 . 27396 1 24 . 1 1 3 3 ALA C C 13 179.794 . . 1 . . 897 . . 3 ALA C . 27396 1 25 . 1 1 3 3 ALA CA C 13 54.951 0.033 . 1 . . 268 . . 3 ALA CA . 27396 1 26 . 1 1 3 3 ALA CB C 13 18.617 0.045 . 1 . . 269 . . 3 ALA CB . 27396 1 27 . 1 1 3 3 ALA N N 15 122.469 0.019 . 1 . . 162 . . 3 ALA N . 27396 1 28 . 1 1 4 4 VAL H H 1 7.705 0.006 . 1 . . 99 . . 4 VAL H . 27396 1 29 . 1 1 4 4 VAL HA H 1 3.994 0.005 . 1 . . 519 . . 4 VAL HA . 27396 1 30 . 1 1 4 4 VAL HB H 1 1.97 0.002 . 1 . . 522 . . 4 VAL HB . 27396 1 31 . 1 1 4 4 VAL HG11 H 1 0.838 0.002 . 2 . . 523 . . 4 VAL HG11 . 27396 1 32 . 1 1 4 4 VAL HG12 H 1 0.838 0.002 . 2 . . 523 . . 4 VAL HG12 . 27396 1 33 . 1 1 4 4 VAL HG13 H 1 0.838 0.002 . 2 . . 523 . . 4 VAL HG13 . 27396 1 34 . 1 1 4 4 VAL HG21 H 1 0.929 0.003 . 2 . . 524 . . 4 VAL HG21 . 27396 1 35 . 1 1 4 4 VAL HG22 H 1 0.929 0.003 . 2 . . 524 . . 4 VAL HG22 . 27396 1 36 . 1 1 4 4 VAL HG23 H 1 0.929 0.003 . 2 . . 524 . . 4 VAL HG23 . 27396 1 37 . 1 1 4 4 VAL C C 13 177.983 . . 1 . . 898 . . 4 VAL C . 27396 1 38 . 1 1 4 4 VAL CA C 13 65.310 0.037 . 1 . . 266 . . 4 VAL CA . 27396 1 39 . 1 1 4 4 VAL CB C 13 31.861 0.033 . 1 . . 267 . . 4 VAL CB . 27396 1 40 . 1 1 4 4 VAL CG1 C 13 21.100 0.022 . 2 . . 520 . . 4 VAL CG1 . 27396 1 41 . 1 1 4 4 VAL CG2 C 13 22.217 0.018 . 2 . . 521 . . 4 VAL CG2 . 27396 1 42 . 1 1 4 4 VAL N N 15 118.818 0.03 . 1 . . 100 . . 4 VAL N . 27396 1 43 . 1 1 5 5 ILE H H 1 8.192 0.006 . 1 . . 56 . . 5 ILE H . 27396 1 44 . 1 1 5 5 ILE HA H 1 3.498 0.005 . 1 . . 451 . . 5 ILE HA . 27396 1 45 . 1 1 5 5 ILE HB H 1 1.919 0.006 . 1 . . 455 . . 5 ILE HB . 27396 1 46 . 1 1 5 5 ILE HG12 H 1 0.884 0.001 . 2 . . 456 . . 5 ILE HG12 . 27396 1 47 . 1 1 5 5 ILE HG13 H 1 1.728 0.003 . 2 . . 457 . . 5 ILE HG13 . 27396 1 48 . 1 1 5 5 ILE HG21 H 1 0.917 0.003 . 1 . . 459 . . 5 ILE HG21 . 27396 1 49 . 1 1 5 5 ILE HG22 H 1 0.917 0.003 . 1 . . 459 . . 5 ILE HG22 . 27396 1 50 . 1 1 5 5 ILE HG23 H 1 0.917 0.003 . 1 . . 459 . . 5 ILE HG23 . 27396 1 51 . 1 1 5 5 ILE HD11 H 1 0.888 0.001 . 1 . . 458 . . 5 ILE HD11 . 27396 1 52 . 1 1 5 5 ILE HD12 H 1 0.888 0.001 . 1 . . 458 . . 5 ILE HD12 . 27396 1 53 . 1 1 5 5 ILE HD13 H 1 0.888 0.001 . 1 . . 458 . . 5 ILE HD13 . 27396 1 54 . 1 1 5 5 ILE C C 13 178.040 . . 1 . . 899 . . 5 ILE C . 27396 1 55 . 1 1 5 5 ILE CA C 13 66.042 0.038 . 1 . . 265 . . 5 ILE CA . 27396 1 56 . 1 1 5 5 ILE CB C 13 37.658 0.037 . 1 . . 264 . . 5 ILE CB . 27396 1 57 . 1 1 5 5 ILE CG1 C 13 30.379 0.027 . 1 . . 452 . . 5 ILE CG1 . 27396 1 58 . 1 1 5 5 ILE CG2 C 13 17.388 0.02 . 1 . . 453 . . 5 ILE CG2 . 27396 1 59 . 1 1 5 5 ILE CD1 C 13 13.473 0.027 . 1 . . 454 . . 5 ILE CD1 . 27396 1 60 . 1 1 5 5 ILE N N 15 119.525 0.043 . 1 . . 57 . . 5 ILE N . 27396 1 61 . 1 1 6 6 LYS H H 1 8.013 0.006 . 1 . . 87 . . 6 LYS H . 27396 1 62 . 1 1 6 6 LYS HA H 1 3.991 0.003 . 1 . . 571 . . 6 LYS HA . 27396 1 63 . 1 1 6 6 LYS HB2 H 1 1.997 0.006 . 2 . . 572 . . 6 LYS HB2 . 27396 1 64 . 1 1 6 6 LYS HB3 H 1 1.997 0.006 . 2 . . 573 . . 6 LYS HB3 . 27396 1 65 . 1 1 6 6 LYS HG2 H 1 1.597 0.003 . 2 . . 576 . . 6 LYS HG2 . 27396 1 66 . 1 1 6 6 LYS HG3 H 1 1.439 0.01 . 2 . . 985 . . 6 LYS HG3 . 27396 1 67 . 1 1 6 6 LYS HD2 H 1 1.722 0.009 . 1 . . 983 . . 6 LYS HD2 . 27396 1 68 . 1 1 6 6 LYS HD3 H 1 1.722 0.009 . 1 . . 984 . . 6 LYS HD3 . 27396 1 69 . 1 1 6 6 LYS HE2 H 1 2.98 0.002 . 1 . . 894 . . 6 LYS HE2 . 27396 1 70 . 1 1 6 6 LYS HE3 H 1 2.98 0.002 . 1 . . 895 . . 6 LYS HE3 . 27396 1 71 . 1 1 6 6 LYS C C 13 179.086 . . 1 . . 900 . . 6 LYS C . 27396 1 72 . 1 1 6 6 LYS CA C 13 60.288 0.092 . 1 . . 263 . . 6 LYS CA . 27396 1 73 . 1 1 6 6 LYS CB C 13 32.320 0.08 . 1 . . 262 . . 6 LYS CB . 27396 1 74 . 1 1 6 6 LYS CG C 13 25.454 0.057 . 1 . . 574 . . 6 LYS CG . 27396 1 75 . 1 1 6 6 LYS CD C 13 29.389 0.048 . 1 . . 982 . . 6 LYS CD . 27396 1 76 . 1 1 6 6 LYS CE C 13 42.121 0.034 . 1 . . 575 . . 6 LYS CE . 27396 1 77 . 1 1 6 6 LYS N N 15 120.545 0.046 . 1 . . 88 . . 6 LYS N . 27396 1 78 . 1 1 7 7 VAL H H 1 7.665 0.001 . 1 . . 54 . . 7 VAL H . 27396 1 79 . 1 1 7 7 VAL HA H 1 3.753 0.006 . 1 . . 525 . . 7 VAL HA . 27396 1 80 . 1 1 7 7 VAL HB H 1 2.438 0.002 . 1 . . 526 . . 7 VAL HB . 27396 1 81 . 1 1 7 7 VAL HG11 H 1 0.936 0.002 . 2 . . 527 . . 7 VAL HG11 . 27396 1 82 . 1 1 7 7 VAL HG12 H 1 0.936 0.002 . 2 . . 527 . . 7 VAL HG12 . 27396 1 83 . 1 1 7 7 VAL HG13 H 1 0.936 0.002 . 2 . . 527 . . 7 VAL HG13 . 27396 1 84 . 1 1 7 7 VAL HG21 H 1 1.113 0.003 . 2 . . 530 . . 7 VAL HG21 . 27396 1 85 . 1 1 7 7 VAL HG22 H 1 1.113 0.003 . 2 . . 530 . . 7 VAL HG22 . 27396 1 86 . 1 1 7 7 VAL HG23 H 1 1.113 0.003 . 2 . . 530 . . 7 VAL HG23 . 27396 1 87 . 1 1 7 7 VAL C C 13 179.519 . . 1 . . 901 . . 7 VAL C . 27396 1 88 . 1 1 7 7 VAL CA C 13 66.726 0.022 . 1 . . 260 . . 7 VAL CA . 27396 1 89 . 1 1 7 7 VAL CB C 13 31.924 0.042 . 1 . . 261 . . 7 VAL CB . 27396 1 90 . 1 1 7 7 VAL CG1 C 13 21.285 0.018 . 2 . . 528 . . 7 VAL CG1 . 27396 1 91 . 1 1 7 7 VAL CG2 C 13 22.747 0.027 . 2 . . 529 . . 7 VAL CG2 . 27396 1 92 . 1 1 7 7 VAL N N 15 121.407 0.03 . 1 . . 55 . . 7 VAL N . 27396 1 93 . 1 1 8 8 ILE H H 1 8.632 0.001 . 1 . . 119 . . 8 ILE H . 27396 1 94 . 1 1 8 8 ILE HA H 1 3.714 0.006 . 1 . . 460 . . 8 ILE HA . 27396 1 95 . 1 1 8 8 ILE HB H 1 1.935 0.004 . 1 . . 463 . . 8 ILE HB . 27396 1 96 . 1 1 8 8 ILE HG12 H 1 1.18 0.002 . 2 . . 464 . . 8 ILE HG12 . 27396 1 97 . 1 1 8 8 ILE HG13 H 1 1.954 0.004 . 2 . . 466 . . 8 ILE HG13 . 27396 1 98 . 1 1 8 8 ILE HG21 H 1 0.937 0.007 . 1 . . 467 . . 8 ILE HG21 . 27396 1 99 . 1 1 8 8 ILE HG22 H 1 0.937 0.007 . 1 . . 467 . . 8 ILE HG22 . 27396 1 100 . 1 1 8 8 ILE HG23 H 1 0.937 0.007 . 1 . . 467 . . 8 ILE HG23 . 27396 1 101 . 1 1 8 8 ILE HD11 H 1 0.775 0.006 . 1 . . 468 . . 8 ILE HD11 . 27396 1 102 . 1 1 8 8 ILE HD12 H 1 0.775 0.006 . 1 . . 468 . . 8 ILE HD12 . 27396 1 103 . 1 1 8 8 ILE HD13 H 1 0.775 0.006 . 1 . . 468 . . 8 ILE HD13 . 27396 1 104 . 1 1 8 8 ILE C C 13 178.208 . . 1 . . 902 . . 8 ILE C . 27396 1 105 . 1 1 8 8 ILE CA C 13 65.313 0.039 . 1 . . 258 . . 8 ILE CA . 27396 1 106 . 1 1 8 8 ILE CB C 13 37.875 0.025 . 1 . . 259 . . 8 ILE CB . 27396 1 107 . 1 1 8 8 ILE CG1 C 13 28.944 0.029 . 1 . . 461 . . 8 ILE CG1 . 27396 1 108 . 1 1 8 8 ILE CG2 C 13 19.823 0.024 . 1 . . 465 . . 8 ILE CG2 . 27396 1 109 . 1 1 8 8 ILE CD1 C 13 13.814 0.032 . 1 . . 462 . . 8 ILE CD1 . 27396 1 110 . 1 1 8 8 ILE N N 15 119.958 0.044 . 1 . . 120 . . 8 ILE N . 27396 1 111 . 1 1 9 9 SER H H 1 8.994 0.003 . 1 . . 127 . . 9 SER H . 27396 1 112 . 1 1 9 9 SER HA H 1 3.958 . . 1 . . 662 . . 9 SER HA . 27396 1 113 . 1 1 9 9 SER HB2 H 1 3.954 . . 1 . . 892 . . 9 SER HB2 . 27396 1 114 . 1 1 9 9 SER HB3 H 1 3.954 . . 1 . . 893 . . 9 SER HB3 . 27396 1 115 . 1 1 9 9 SER C C 13 176.965 . . 1 . . 903 . . 9 SER C . 27396 1 116 . 1 1 9 9 SER CA C 13 62.658 0.016 . 1 . . 256 . . 9 SER CA . 27396 1 117 . 1 1 9 9 SER CB C 13 62.935 0.015 . 1 . . 257 . . 9 SER CB . 27396 1 118 . 1 1 9 9 SER N N 15 115.592 0.041 . 1 . . 128 . . 9 SER N . 27396 1 119 . 1 1 10 10 SER H H 1 8.138 0.004 . 1 . . 141 . . 10 SER H . 27396 1 120 . 1 1 10 10 SER HA H 1 4.237 0.004 . 1 . . 661 . . 10 SER HA . 27396 1 121 . 1 1 10 10 SER HB2 H 1 3.955 0.0 . 2 . . 659 . . 10 SER HB2 . 27396 1 122 . 1 1 10 10 SER HB3 H 1 4.063 0.005 . 2 . . 660 . . 10 SER HB3 . 27396 1 123 . 1 1 10 10 SER C C 13 176.606 . . 1 . . 904 . . 10 SER C . 27396 1 124 . 1 1 10 10 SER CA C 13 62.084 0.033 . 1 . . 254 . . 10 SER CA . 27396 1 125 . 1 1 10 10 SER CB C 13 62.828 0.033 . 1 . . 255 . . 10 SER CB . 27396 1 126 . 1 1 10 10 SER N N 15 116.689 0.025 . 1 . . 142 . . 10 SER N . 27396 1 127 . 1 1 11 11 ALA H H 1 8.06 0.006 . 1 . . 42 . . 11 ALA H . 27396 1 128 . 1 1 11 11 ALA HA H 1 4.332 0.002 . 1 . . 502 . . 11 ALA HA . 27396 1 129 . 1 1 11 11 ALA HB1 H 1 1.554 0.001 . 1 . . 503 . . 11 ALA HB1 . 27396 1 130 . 1 1 11 11 ALA HB2 H 1 1.554 0.001 . 1 . . 503 . . 11 ALA HB2 . 27396 1 131 . 1 1 11 11 ALA HB3 H 1 1.554 0.001 . 1 . . 503 . . 11 ALA HB3 . 27396 1 132 . 1 1 11 11 ALA C C 13 180.543 . . 1 . . 905 . . 11 ALA C . 27396 1 133 . 1 1 11 11 ALA CA C 13 55.338 0.015 . 1 . . 252 . . 11 ALA CA . 27396 1 134 . 1 1 11 11 ALA CB C 13 16.975 0.047 . 1 . . 253 . . 11 ALA CB . 27396 1 135 . 1 1 11 11 ALA N N 15 124.834 0.027 . 1 . . 43 . . 11 ALA N . 27396 1 136 . 1 1 12 12 CYS H H 1 8.712 0.003 . 1 . . 105 . . 12 CYS H . 27396 1 137 . 1 1 12 12 CYS HA H 1 4.229 0.006 . 1 . . 831 . . 12 CYS HA . 27396 1 138 . 1 1 12 12 CYS HB2 H 1 3 0.005 . 2 . . 832 . . 12 CYS HB2 . 27396 1 139 . 1 1 12 12 CYS HB3 H 1 3.09 0.002 . 2 . . 833 . . 12 CYS HB3 . 27396 1 140 . 1 1 12 12 CYS C C 13 176.845 . . 1 . . 906 . . 12 CYS C . 27396 1 141 . 1 1 12 12 CYS CA C 13 64.079 0.032 . 1 . . 251 . . 12 CYS CA . 27396 1 142 . 1 1 12 12 CYS CB C 13 27.479 0.056 . 1 . . 250 . . 12 CYS CB . 27396 1 143 . 1 1 12 12 CYS N N 15 116.484 0.04 . 1 . . 106 . . 12 CYS N . 27396 1 144 . 1 1 13 13 LYS H H 1 8.43 0.002 . 1 . . 7 . . 13 LYS H . 27396 1 145 . 1 1 13 13 LYS HA H 1 3.987 0.003 . 1 . . 577 . . 13 LYS HA . 27396 1 146 . 1 1 13 13 LYS HB2 H 1 1.957 0.0 . 1 . . 578 . . 13 LYS HB2 . 27396 1 147 . 1 1 13 13 LYS HB3 H 1 1.957 0.0 . 1 . . 579 . . 13 LYS HB3 . 27396 1 148 . 1 1 13 13 LYS HG2 H 1 1.434 0.007 . 2 . . 580 . . 13 LYS HG2 . 27396 1 149 . 1 1 13 13 LYS HG3 H 1 1.565 0.005 . 2 . . 582 . . 13 LYS HG3 . 27396 1 150 . 1 1 13 13 LYS HD2 H 1 1.666 0.001 . 1 . . 869 . . 13 LYS HD2 . 27396 1 151 . 1 1 13 13 LYS HD3 H 1 1.666 0.001 . 1 . . 870 . . 13 LYS HD3 . 27396 1 152 . 1 1 13 13 LYS HE2 H 1 2.958 0.004 . 2 . . 872 . . 13 LYS HE2 . 27396 1 153 . 1 1 13 13 LYS HE3 H 1 2.958 0.004 . 2 . . 873 . . 13 LYS HE3 . 27396 1 154 . 1 1 13 13 LYS C C 13 179.205 . . 1 . . 907 . . 13 LYS C . 27396 1 155 . 1 1 13 13 LYS CA C 13 60.034 0.041 . 1 . . 323 . . 13 LYS CA . 27396 1 156 . 1 1 13 13 LYS CB C 13 31.871 0.034 . 1 . . 324 . . 13 LYS CB . 27396 1 157 . 1 1 13 13 LYS CG C 13 25.074 0.044 . 1 . . 581 . . 13 LYS CG . 27396 1 158 . 1 1 13 13 LYS CD C 13 29.210 0.025 . 1 . . 868 . . 13 LYS CD . 27396 1 159 . 1 1 13 13 LYS CE C 13 42.165 0.013 . 1 . . 871 . . 13 LYS CE . 27396 1 160 . 1 1 13 13 LYS N N 15 121.869 0.058 . 1 . . 8 . . 13 LYS N . 27396 1 161 . 1 1 14 14 THR H H 1 7.693 0.005 . 1 . . 95 . . 14 THR H . 27396 1 162 . 1 1 14 14 THR HA H 1 3.829 0.004 . 1 . . 692 . . 14 THR HA . 27396 1 163 . 1 1 14 14 THR HB H 1 3.948 0.006 . 1 . . 693 . . 14 THR HB . 27396 1 164 . 1 1 14 14 THR HG21 H 1 0.713 0.005 . 1 . . 696 . . 14 THR HG21 . 27396 1 165 . 1 1 14 14 THR HG22 H 1 0.713 0.005 . 1 . . 696 . . 14 THR HG22 . 27396 1 166 . 1 1 14 14 THR HG23 H 1 0.713 0.005 . 1 . . 696 . . 14 THR HG23 . 27396 1 167 . 1 1 14 14 THR C C 13 175.562 . . 1 . . 908 . . 14 THR C . 27396 1 168 . 1 1 14 14 THR CA C 13 66.084 0.042 . 1 . . 325 . . 14 THR CA . 27396 1 169 . 1 1 14 14 THR CB C 13 69.174 0.036 . 1 . . 326 . . 14 THR CB . 27396 1 170 . 1 1 14 14 THR CG2 C 13 21.312 0.051 . 1 . . 695 . . 14 THR CG2 . 27396 1 171 . 1 1 14 14 THR N N 15 114.344 0.039 . 1 . . 96 . . 14 THR N . 27396 1 172 . 1 1 15 15 TYR H H 1 7.988 0.003 . 1 . . 29 . . 15 TYR H . 27396 1 173 . 1 1 15 15 TYR HA H 1 4.57 0.003 . 1 . . 542 . . 15 TYR HA . 27396 1 174 . 1 1 15 15 TYR HB2 H 1 2.894 0.005 . 2 . . 540 . . 15 TYR HB2 . 27396 1 175 . 1 1 15 15 TYR HB3 H 1 3.11 0.005 . 2 . . 541 . . 15 TYR HB3 . 27396 1 176 . 1 1 15 15 TYR HD1 H 1 7.236 0.002 . 1 . . 544 . . 15 TYR HD1 . 27396 1 177 . 1 1 15 15 TYR HD2 H 1 7.236 0.002 . 1 . . 544 . . 15 TYR HD2 . 27396 1 178 . 1 1 15 15 TYR HE1 H 1 6.756 0.001 . 1 . . 546 . . 15 TYR HE1 . 27396 1 179 . 1 1 15 15 TYR HE2 H 1 6.756 0.001 . 1 . . 546 . . 15 TYR HE2 . 27396 1 180 . 1 1 15 15 TYR C C 13 177.136 . . 1 . . 909 . . 15 TYR C . 27396 1 181 . 1 1 15 15 TYR CA C 13 60.742 0.048 . 1 . . 310 . . 15 TYR CA . 27396 1 182 . 1 1 15 15 TYR CB C 13 39.997 0.053 . 1 . . 311 . . 15 TYR CB . 27396 1 183 . 1 1 15 15 TYR CG C 13 130.026 0.029 . 1 . . 547 . . 15 TYR CG . 27396 1 184 . 1 1 15 15 TYR CD1 C 13 133.522 0.044 . 1 . . 543 . . 15 TYR CD1 . 27396 1 185 . 1 1 15 15 TYR CD2 C 13 133.522 0.044 . 1 . . 543 . . 15 TYR CD2 . 27396 1 186 . 1 1 15 15 TYR CE1 C 13 117.974 0.017 . 1 . . 545 . . 15 TYR CE1 . 27396 1 187 . 1 1 15 15 TYR CE2 C 13 117.974 0.017 . 1 . . 545 . . 15 TYR CE2 . 27396 1 188 . 1 1 15 15 TYR N N 15 117.792 0.038 . 1 . . 30 . . 15 TYR N . 27396 1 189 . 1 1 16 16 CYS H H 1 8.928 0.001 . 1 . . 107 . . 16 CYS H . 27396 1 190 . 1 1 16 16 CYS HA H 1 4.368 0.003 . 1 . . 834 . . 16 CYS HA . 27396 1 191 . 1 1 16 16 CYS HB2 H 1 2.866 0.003 . 2 . . 835 . . 16 CYS HB2 . 27396 1 192 . 1 1 16 16 CYS HB3 H 1 3.11 0.004 . 2 . . 836 . . 16 CYS HB3 . 27396 1 193 . 1 1 16 16 CYS C C 13 176.223 . . 1 . . 910 . . 16 CYS C . 27396 1 194 . 1 1 16 16 CYS CA C 13 59.194 0.036 . 1 . . 312 . . 16 CYS CA . 27396 1 195 . 1 1 16 16 CYS CB C 13 27.964 0.064 . 1 . . 313 . . 16 CYS CB . 27396 1 196 . 1 1 16 16 CYS N N 15 116.189 0.033 . 1 . . 108 . . 16 CYS N . 27396 1 197 . 1 1 17 17 GLY H H 1 7.776 0.003 . 1 . . 50 . . 17 GLY H . 27396 1 198 . 1 1 17 17 GLY HA2 H 1 3.849 0.003 . 2 . . 772 . . 17 GLY HA2 . 27396 1 199 . 1 1 17 17 GLY HA3 H 1 3.976 0.005 . 2 . . 773 . . 17 GLY HA3 . 27396 1 200 . 1 1 17 17 GLY C C 13 176.374 . . 1 . . 911 . . 17 GLY C . 27396 1 201 . 1 1 17 17 GLY CA C 13 46.728 0.038 . 1 . . 314 . . 17 GLY CA . 27396 1 202 . 1 1 17 17 GLY N N 15 108.987 0.03 . 1 . . 51 . . 17 GLY N . 27396 1 203 . 1 1 18 18 LYS H H 1 8.939 0.002 . 1 . . 316 . . 18 LYS H . 27396 1 204 . 1 1 18 18 LYS HA H 1 4.186 0.002 . 1 . . 593 . . 18 LYS HA . 27396 1 205 . 1 1 18 18 LYS HB2 H 1 1.888 0.006 . 2 . . 591 . . 18 LYS HB2 . 27396 1 206 . 1 1 18 18 LYS HB3 H 1 1.888 0.005 . 2 . . 592 . . 18 LYS HB3 . 27396 1 207 . 1 1 18 18 LYS HG2 H 1 1.51 0.002 . 1 . . 596 . . 18 LYS HG2 . 27396 1 208 . 1 1 18 18 LYS HG3 H 1 1.51 0.002 . 1 . . 597 . . 18 LYS HG3 . 27396 1 209 . 1 1 18 18 LYS HD2 H 1 1.702 . . 1 . . 598 . . 18 LYS HD2 . 27396 1 210 . 1 1 18 18 LYS HD3 H 1 1.702 . . 1 . . 599 . . 18 LYS HD3 . 27396 1 211 . 1 1 18 18 LYS HE2 H 1 3.003 . . 1 . . 600 . . 18 LYS HE2 . 27396 1 212 . 1 1 18 18 LYS HE3 H 1 3.003 . . 1 . . 601 . . 18 LYS HE3 . 27396 1 213 . 1 1 18 18 LYS C C 13 177.298 . . 1 . . 912 . . 18 LYS C . 27396 1 214 . 1 1 18 18 LYS CA C 13 58.327 0.053 . 1 . . 317 . . 18 LYS CA . 27396 1 215 . 1 1 18 18 LYS CB C 13 32.390 0.074 . 1 . . 318 . . 18 LYS CB . 27396 1 216 . 1 1 18 18 LYS CG C 13 24.936 0.036 . 1 . . 594 . . 18 LYS CG . 27396 1 217 . 1 1 18 18 LYS CD C 13 29.150 0.072 . 1 . . 595 . . 18 LYS CD . 27396 1 218 . 1 1 18 18 LYS CE C 13 42.079 . . 1 . . 865 . . 18 LYS CE . 27396 1 219 . 1 1 18 18 LYS N N 15 125.854 0.049 . 1 . . 315 . . 18 LYS N . 27396 1 220 . 1 1 19 19 THR H H 1 7.605 0.001 . 1 . . 89 . . 19 THR H . 27396 1 221 . 1 1 19 19 THR HA H 1 4.38 0.003 . 1 . . 697 . . 19 THR HA . 27396 1 222 . 1 1 19 19 THR HB H 1 4.381 0.004 . 1 . . 698 . . 19 THR HB . 27396 1 223 . 1 1 19 19 THR HG21 H 1 1.193 0.002 . 1 . . 583 . . 19 THR HG21 . 27396 1 224 . 1 1 19 19 THR HG22 H 1 1.193 0.002 . 1 . . 583 . . 19 THR HG22 . 27396 1 225 . 1 1 19 19 THR HG23 H 1 1.193 0.002 . 1 . . 583 . . 19 THR HG23 . 27396 1 226 . 1 1 19 19 THR C C 13 173.466 . . 1 . . 913 . . 19 THR C . 27396 1 227 . 1 1 19 19 THR CA C 13 61.069 0.062 . 1 . . 320 . . 19 THR CA . 27396 1 228 . 1 1 19 19 THR CB C 13 68.921 0.037 . 1 . . 319 . . 19 THR CB . 27396 1 229 . 1 1 19 19 THR CG2 C 13 22.150 0.033 . 1 . . 694 . . 19 THR CG2 . 27396 1 230 . 1 1 19 19 THR N N 15 109.831 0.027 . 1 . . 90 . . 19 THR N . 27396 1 231 . 1 1 20 20 SER H H 1 7.491 0.001 . 1 . . 80 . . 20 SER H . 27396 1 232 . 1 1 20 20 SER HA H 1 4.248 0.006 . 1 . . 664 . . 20 SER HA . 27396 1 233 . 1 1 20 20 SER HB2 H 1 3.744 0.005 . 1 . . 665 . . 20 SER HB2 . 27396 1 234 . 1 1 20 20 SER HB3 H 1 3.744 0.005 . 1 . . 667 . . 20 SER HB3 . 27396 1 235 . 1 1 20 20 SER C C 13 173.137 . . 1 . . 469 . . 20 SER C . 27396 1 236 . 1 1 20 20 SER CA C 13 57.032 0.013 . 1 . . 321 . . 20 SER CA . 27396 1 237 . 1 1 20 20 SER CB C 13 64.150 0.052 . 1 . . 322 . . 20 SER CB . 27396 1 238 . 1 1 20 20 SER N N 15 115.755 0.021 . 1 . . 81 . . 20 SER N . 27396 1 239 . 1 1 21 21 PRO HA H 1 4.74 0.002 . 1 . . 719 . . 21 PRO HA . 27396 1 240 . 1 1 21 21 PRO HB2 H 1 1.879 0.001 . 2 . . 715 . . 21 PRO HB2 . 27396 1 241 . 1 1 21 21 PRO HB3 H 1 2.44 0.002 . 2 . . 716 . . 21 PRO HB3 . 27396 1 242 . 1 1 21 21 PRO HG2 H 1 1.985 0.002 . 2 . . 717 . . 21 PRO HG2 . 27396 1 243 . 1 1 21 21 PRO HG3 H 1 2.077 0.002 . 2 . . 718 . . 21 PRO HG3 . 27396 1 244 . 1 1 21 21 PRO HD2 H 1 3.927 0.002 . 2 . . 712 . . 21 PRO HD2 . 27396 1 245 . 1 1 21 21 PRO HD3 H 1 3.709 0.001 . 2 . . 713 . . 21 PRO HD3 . 27396 1 246 . 1 1 21 21 PRO C C 13 175.916 . . 1 . . 914 . . 21 PRO C . 27396 1 247 . 1 1 21 21 PRO CA C 13 62.539 0.03 . 1 . . 309 . . 21 PRO CA . 27396 1 248 . 1 1 21 21 PRO CB C 13 32.755 0.028 . 1 . . 308 . . 21 PRO CB . 27396 1 249 . 1 1 21 21 PRO CG C 13 27.804 0.034 . 1 . . 714 . . 21 PRO CG . 27396 1 250 . 1 1 21 21 PRO CD C 13 51.298 0.048 . 1 . . 711 . . 21 PRO CD . 27396 1 251 . 1 1 22 22 SER H H 1 8.915 0.008 . 1 . . 62 . . 22 SER H . 27396 1 252 . 1 1 22 22 SER HA H 1 4.55 0.005 . 1 . . 668 . . 22 SER HA . 27396 1 253 . 1 1 22 22 SER HB2 H 1 4.057 0.003 . 2 . . 669 . . 22 SER HB2 . 27396 1 254 . 1 1 22 22 SER HB3 H 1 4.428 0.006 . 2 . . 670 . . 22 SER HB3 . 27396 1 255 . 1 1 22 22 SER C C 13 175.372 . . 1 . . 915 . . 22 SER C . 27396 1 256 . 1 1 22 22 SER CA C 13 56.944 0.026 . 1 . . 306 . . 22 SER CA . 27396 1 257 . 1 1 22 22 SER CB C 13 65.767 0.057 . 1 . . 307 . . 22 SER CB . 27396 1 258 . 1 1 22 22 SER N N 15 118.417 0.043 . 1 . . 63 . . 22 SER N . 27396 1 259 . 1 1 23 23 LYS H H 1 9.11 0.003 . 1 . . 133 . . 23 LYS H . 27396 1 260 . 1 1 23 23 LYS HA H 1 3.836 0.002 . 1 . . 602 . . 23 LYS HA . 27396 1 261 . 1 1 23 23 LYS HB2 H 1 1.818 0.004 . 2 . . 607 . . 23 LYS HB2 . 27396 1 262 . 1 1 23 23 LYS HB3 H 1 1.905 0.005 . 2 . . 608 . . 23 LYS HB3 . 27396 1 263 . 1 1 23 23 LYS HG2 H 1 1.319 0.002 . 2 . . 609 . . 23 LYS HG2 . 27396 1 264 . 1 1 23 23 LYS HG3 H 1 1.678 0.005 . 2 . . 610 . . 23 LYS HG3 . 27396 1 265 . 1 1 23 23 LYS HD2 H 1 1.739 0.002 . 1 . . 611 . . 23 LYS HD2 . 27396 1 266 . 1 1 23 23 LYS HD3 H 1 1.739 0.002 . 1 . . 612 . . 23 LYS HD3 . 27396 1 267 . 1 1 23 23 LYS HE2 H 1 2.972 . . 1 . . 866 . . 23 LYS HE2 . 27396 1 268 . 1 1 23 23 LYS HE3 H 1 2.972 . . 1 . . 867 . . 23 LYS HE3 . 27396 1 269 . 1 1 23 23 LYS C C 13 179.744 . . 1 . . 916 . . 23 LYS C . 27396 1 270 . 1 1 23 23 LYS CA C 13 61.223 0.032 . 1 . . 304 . . 23 LYS CA . 27396 1 271 . 1 1 23 23 LYS CB C 13 31.947 0.043 . 1 . . 305 . . 23 LYS CB . 27396 1 272 . 1 1 23 23 LYS CG C 13 26.221 0.043 . 1 . . 605 . . 23 LYS CG . 27396 1 273 . 1 1 23 23 LYS CD C 13 29.503 0.029 . 1 . . 606 . . 23 LYS CD . 27396 1 274 . 1 1 23 23 LYS CE C 13 41.896 0.017 . 1 . . 604 . . 23 LYS CE . 27396 1 275 . 1 1 23 23 LYS N N 15 121.499 0.042 . 1 . . 134 . . 23 LYS N . 27396 1 276 . 1 1 24 24 LYS H H 1 8.313 0.005 . 1 . . 129 . . 24 LYS H . 27396 1 277 . 1 1 24 24 LYS HA H 1 4.063 0.002 . 1 . . 603 . . 24 LYS HA . 27396 1 278 . 1 1 24 24 LYS HB2 H 1 1.772 0.002 . 2 . . 616 . . 24 LYS HB2 . 27396 1 279 . 1 1 24 24 LYS HB3 H 1 1.874 0.002 . 2 . . 617 . . 24 LYS HB3 . 27396 1 280 . 1 1 24 24 LYS HG2 H 1 1.404 0.006 . 2 . . 882 . . 24 LYS HG2 . 27396 1 281 . 1 1 24 24 LYS HG3 H 1 1.52 0.004 . 2 . . 977 . . 24 LYS HG3 . 27396 1 282 . 1 1 24 24 LYS HD2 H 1 1.695 . . 1 . . 618 . . 24 LYS HD2 . 27396 1 283 . 1 1 24 24 LYS HD3 H 1 1.695 . . 1 . . 619 . . 24 LYS HD3 . 27396 1 284 . 1 1 24 24 LYS HE2 H 1 2.983 . . 1 . . 980 . . 24 LYS HE2 . 27396 1 285 . 1 1 24 24 LYS HE3 H 1 2.983 . . 1 . . 981 . . 24 LYS HE3 . 27396 1 286 . 1 1 24 24 LYS C C 13 179.560 . . 1 . . 917 . . 24 LYS C . 27396 1 287 . 1 1 24 24 LYS CA C 13 59.605 0.035 . 1 . . 303 . . 24 LYS CA . 27396 1 288 . 1 1 24 24 LYS CB C 13 32.481 0.034 . 1 . . 302 . . 24 LYS CB . 27396 1 289 . 1 1 24 24 LYS CG C 13 25.038 0.015 . 1 . . 614 . . 24 LYS CG . 27396 1 290 . 1 1 24 24 LYS CD C 13 29.318 0.052 . 1 . . 615 . . 24 LYS CD . 27396 1 291 . 1 1 24 24 LYS CE C 13 42.125 0.031 . 1 . . 613 . . 24 LYS CE . 27396 1 292 . 1 1 24 24 LYS N N 15 120.193 0.034 . 1 . . 130 . . 24 LYS N . 27396 1 293 . 1 1 25 25 GLU H H 1 7.874 0.002 . 1 . . 72 . . 25 GLU H . 27396 1 294 . 1 1 25 25 GLU HA H 1 4.056 0.004 . 1 . . 792 . . 25 GLU HA . 27396 1 295 . 1 1 25 25 GLU HB2 H 1 2.109 0.006 . 2 . . 790 . . 25 GLU HB2 . 27396 1 296 . 1 1 25 25 GLU HB3 H 1 2.403 0.004 . 2 . . 791 . . 25 GLU HB3 . 27396 1 297 . 1 1 25 25 GLU HG2 H 1 2.294 0.004 . 1 . . 794 . . 25 GLU HG2 . 27396 1 298 . 1 1 25 25 GLU HG3 H 1 2.294 0.004 . 1 . . 795 . . 25 GLU HG3 . 27396 1 299 . 1 1 25 25 GLU C C 13 180.736 . . 1 . . 918 . . 25 GLU C . 27396 1 300 . 1 1 25 25 GLU CA C 13 59.431 0.05 . 1 . . 300 . . 25 GLU CA . 27396 1 301 . 1 1 25 25 GLU CB C 13 29.479 0.013 . 1 . . 301 . . 25 GLU CB . 27396 1 302 . 1 1 25 25 GLU CG C 13 37.545 0.038 . 1 . . 793 . . 25 GLU CG . 27396 1 303 . 1 1 25 25 GLU N N 15 121.206 0.035 . 1 . . 73 . . 25 GLU N . 27396 1 304 . 1 1 26 26 ILE H H 1 8.667 0.003 . 1 . . 163 . . 26 ILE H . 27396 1 305 . 1 1 26 26 ILE HA H 1 3.529 0.002 . 1 . . 473 . . 26 ILE HA . 27396 1 306 . 1 1 26 26 ILE HB H 1 1.869 0.002 . 1 . . 477 . . 26 ILE HB . 27396 1 307 . 1 1 26 26 ILE HG12 H 1 0.614 0.005 . 2 . . 478 . . 26 ILE HG12 . 27396 1 308 . 1 1 26 26 ILE HG13 H 1 1.826 0.003 . 2 . . 479 . . 26 ILE HG13 . 27396 1 309 . 1 1 26 26 ILE HG21 H 1 0.897 0.002 . 1 . . 480 . . 26 ILE HG21 . 27396 1 310 . 1 1 26 26 ILE HG22 H 1 0.897 0.002 . 1 . . 480 . . 26 ILE HG22 . 27396 1 311 . 1 1 26 26 ILE HG23 H 1 0.897 0.002 . 1 . . 480 . . 26 ILE HG23 . 27396 1 312 . 1 1 26 26 ILE HD11 H 1 0.759 0.002 . 1 . . 481 . . 26 ILE HD11 . 27396 1 313 . 1 1 26 26 ILE HD12 H 1 0.759 0.002 . 1 . . 481 . . 26 ILE HD12 . 27396 1 314 . 1 1 26 26 ILE HD13 H 1 0.759 0.002 . 1 . . 481 . . 26 ILE HD13 . 27396 1 315 . 1 1 26 26 ILE C C 13 178.002 . . 1 . . 919 . . 26 ILE C . 27396 1 316 . 1 1 26 26 ILE CA C 13 66.293 0.045 . 1 . . 299 . . 26 ILE CA . 27396 1 317 . 1 1 26 26 ILE CB C 13 38.195 0.034 . 1 . . 298 . . 26 ILE CB . 27396 1 318 . 1 1 26 26 ILE CG1 C 13 29.595 0.025 . 1 . . 474 . . 26 ILE CG1 . 27396 1 319 . 1 1 26 26 ILE CG2 C 13 18.520 0.04 . 1 . . 475 . . 26 ILE CG2 . 27396 1 320 . 1 1 26 26 ILE CD1 C 13 13.645 0.033 . 1 . . 476 . . 26 ILE CD1 . 27396 1 321 . 1 1 26 26 ILE N N 15 122.142 0.037 . 1 . . 164 . . 26 ILE N . 27396 1 322 . 1 1 27 27 GLY H H 1 8.788 0.005 . 1 . . 101 . . 27 GLY H . 27396 1 323 . 1 1 27 27 GLY HA2 H 1 3.729 0.005 . 2 . . 774 . . 27 GLY HA2 . 27396 1 324 . 1 1 27 27 GLY HA3 H 1 4.046 0.002 . 2 . . 775 . . 27 GLY HA3 . 27396 1 325 . 1 1 27 27 GLY C C 13 176.271 . . 1 . . 920 . . 27 GLY C . 27396 1 326 . 1 1 27 27 GLY CA C 13 47.581 0.033 . 1 . . 297 . . 27 GLY CA . 27396 1 327 . 1 1 27 27 GLY N N 15 107.345 0.015 . 1 . . 102 . . 27 GLY N . 27396 1 328 . 1 1 28 28 ALA H H 1 8.313 0.004 . 1 . . 123 . . 28 ALA H . 27396 1 329 . 1 1 28 28 ALA HA H 1 4.237 0.002 . 1 . . 505 . . 28 ALA HA . 27396 1 330 . 1 1 28 28 ALA HB1 H 1 1.554 0.002 . 1 . . 504 . . 28 ALA HB1 . 27396 1 331 . 1 1 28 28 ALA HB2 H 1 1.554 0.002 . 1 . . 504 . . 28 ALA HB2 . 27396 1 332 . 1 1 28 28 ALA HB3 H 1 1.554 0.002 . 1 . . 504 . . 28 ALA HB3 . 27396 1 333 . 1 1 28 28 ALA C C 13 180.710 . . 1 . . 921 . . 28 ALA C . 27396 1 334 . 1 1 28 28 ALA CA C 13 55.062 0.025 . 1 . . 295 . . 28 ALA CA . 27396 1 335 . 1 1 28 28 ALA CB C 13 18.169 0.046 . 1 . . 296 . . 28 ALA CB . 27396 1 336 . 1 1 28 28 ALA N N 15 125.006 0.049 . 1 . . 124 . . 28 ALA N . 27396 1 337 . 1 1 29 29 MET H H 1 7.84 0.001 . 1 . . 116 . . 29 MET H . 27396 1 338 . 1 1 29 29 MET HA H 1 3.885 0.003 . 1 . . 748 . . 29 MET HA . 27396 1 339 . 1 1 29 29 MET HB2 H 1 2.341 0.006 . 2 . . 749 . . 29 MET HB2 . 27396 1 340 . 1 1 29 29 MET HB3 H 1 2.571 0.002 . 2 . . 750 . . 29 MET HB3 . 27396 1 341 . 1 1 29 29 MET HG2 H 1 2.272 0.002 . 2 . . 752 . . 29 MET HG2 . 27396 1 342 . 1 1 29 29 MET HG3 H 1 2.675 0.002 . 2 . . 753 . . 29 MET HG3 . 27396 1 343 . 1 1 29 29 MET HE1 H 1 2.133 0.006 . 1 . . 754 . . 29 MET HE1 . 27396 1 344 . 1 1 29 29 MET HE2 H 1 2.133 0.006 . 1 . . 754 . . 29 MET HE2 . 27396 1 345 . 1 1 29 29 MET HE3 H 1 2.133 0.006 . 1 . . 754 . . 29 MET HE3 . 27396 1 346 . 1 1 29 29 MET C C 13 177.234 . . 1 . . 922 . . 29 MET C . 27396 1 347 . 1 1 29 29 MET CA C 13 59.539 0.054 . 1 . . 271 . . 29 MET CA . 27396 1 348 . 1 1 29 29 MET CB C 13 32.815 0.041 . 1 . . 272 . . 29 MET CB . 27396 1 349 . 1 1 29 29 MET CG C 13 30.970 0.026 . 1 . . 751 . . 29 MET CG . 27396 1 350 . 1 1 29 29 MET CE C 13 16.854 0.015 . 1 . . 755 . . 29 MET CE . 27396 1 351 . 1 1 29 29 MET N N 15 119.778 0.03 . 1 . . 117 . . 29 MET N . 27396 1 352 . 1 1 30 30 LEU H H 1 8.576 0.004 . 1 . . 44 . . 30 LEU H . 27396 1 353 . 1 1 30 30 LEU HA H 1 3.874 0.002 . 1 . . 349 . . 30 LEU HA . 27396 1 354 . 1 1 30 30 LEU HB2 H 1 1.603 0.002 . 2 . . 353 . . 30 LEU HB2 . 27396 1 355 . 1 1 30 30 LEU HB3 H 1 1.858 0.002 . 2 . . 354 . . 30 LEU HB3 . 27396 1 356 . 1 1 30 30 LEU HG H 1 1.812 0.003 . 1 . . 355 . . 30 LEU HG . 27396 1 357 . 1 1 30 30 LEU HD11 H 1 0.801 0.001 . 2 . . 356 . . 30 LEU HD11 . 27396 1 358 . 1 1 30 30 LEU HD12 H 1 0.801 0.001 . 2 . . 356 . . 30 LEU HD12 . 27396 1 359 . 1 1 30 30 LEU HD13 H 1 0.801 0.001 . 2 . . 356 . . 30 LEU HD13 . 27396 1 360 . 1 1 30 30 LEU HD21 H 1 0.831 0.001 . 2 . . 357 . . 30 LEU HD21 . 27396 1 361 . 1 1 30 30 LEU HD22 H 1 0.831 0.001 . 2 . . 357 . . 30 LEU HD22 . 27396 1 362 . 1 1 30 30 LEU HD23 H 1 0.831 0.001 . 2 . . 357 . . 30 LEU HD23 . 27396 1 363 . 1 1 30 30 LEU C C 13 179.032 . . 1 . . 923 . . 30 LEU C . 27396 1 364 . 1 1 30 30 LEU CA C 13 58.679 0.04 . 1 . . 270 . . 30 LEU CA . 27396 1 365 . 1 1 30 30 LEU CB C 13 41.871 0.024 . 1 . . 294 . . 30 LEU CB . 27396 1 366 . 1 1 30 30 LEU CG C 13 26.964 0.087 . 1 . . 350 . . 30 LEU CG . 27396 1 367 . 1 1 30 30 LEU CD1 C 13 24.165 0.035 . 2 . . 351 . . 30 LEU CD1 . 27396 1 368 . 1 1 30 30 LEU CD2 C 13 25.946 0.046 . 2 . . 352 . . 30 LEU CD2 . 27396 1 369 . 1 1 30 30 LEU N N 15 118.961 0.028 . 1 . . 45 . . 30 LEU N . 27396 1 370 . 1 1 31 31 SER H H 1 8.403 0.002 . 1 . . 64 . . 31 SER H . 27396 1 371 . 1 1 31 31 SER HA H 1 4.242 0.003 . 1 . . 671 . . 31 SER HA . 27396 1 372 . 1 1 31 31 SER HB2 H 1 3.955 0.006 . 2 . . 672 . . 31 SER HB2 . 27396 1 373 . 1 1 31 31 SER HB3 H 1 3.985 0.002 . 2 . . 673 . . 31 SER HB3 . 27396 1 374 . 1 1 31 31 SER C C 13 176.983 . . 1 . . 924 . . 31 SER C . 27396 1 375 . 1 1 31 31 SER CA C 13 61.884 0.042 . 1 . . 292 . . 31 SER CA . 27396 1 376 . 1 1 31 31 SER CB C 13 62.850 0.051 . 1 . . 293 . . 31 SER CB . 27396 1 377 . 1 1 31 31 SER N N 15 113.987 0.037 . 1 . . 65 . . 31 SER N . 27396 1 378 . 1 1 32 32 LEU H H 1 7.606 0.001 . 1 . . 153 . . 32 LEU H . 27396 1 379 . 1 1 32 32 LEU HA H 1 4.183 0.006 . 1 . . 358 . . 32 LEU HA . 27396 1 380 . 1 1 32 32 LEU HB2 H 1 1.771 0.002 . 2 . . 359 . . 32 LEU HB2 . 27396 1 381 . 1 1 32 32 LEU HB3 H 1 1.927 0.003 . 2 . . 360 . . 32 LEU HB3 . 27396 1 382 . 1 1 32 32 LEU HG H 1 1.45 0.004 . 1 . . 364 . . 32 LEU HG . 27396 1 383 . 1 1 32 32 LEU HD11 H 1 0.86 0.001 . 2 . . 365 . . 32 LEU HD11 . 27396 1 384 . 1 1 32 32 LEU HD12 H 1 0.86 0.001 . 2 . . 365 . . 32 LEU HD12 . 27396 1 385 . 1 1 32 32 LEU HD13 H 1 0.86 0.001 . 2 . . 365 . . 32 LEU HD13 . 27396 1 386 . 1 1 32 32 LEU HD21 H 1 0.737 0.002 . 2 . . 366 . . 32 LEU HD21 . 27396 1 387 . 1 1 32 32 LEU HD22 H 1 0.737 0.002 . 2 . . 366 . . 32 LEU HD22 . 27396 1 388 . 1 1 32 32 LEU HD23 H 1 0.737 0.002 . 2 . . 366 . . 32 LEU HD23 . 27396 1 389 . 1 1 32 32 LEU C C 13 178.208 . . 1 . . 925 . . 32 LEU C . 27396 1 390 . 1 1 32 32 LEU CA C 13 58.198 0.05 . 1 . . 291 . . 32 LEU CA . 27396 1 391 . 1 1 32 32 LEU CB C 13 41.458 0.03 . 1 . . 290 . . 32 LEU CB . 27396 1 392 . 1 1 32 32 LEU CG C 13 27.207 0.064 . 1 . . 361 . . 32 LEU CG . 27396 1 393 . 1 1 32 32 LEU CD1 C 13 23.941 0.02 . 2 . . 362 . . 32 LEU CD1 . 27396 1 394 . 1 1 32 32 LEU CD2 C 13 25.775 0.06 . 2 . . 363 . . 32 LEU CD2 . 27396 1 395 . 1 1 32 32 LEU N N 15 122.986 0.043 . 1 . . 154 . . 32 LEU N . 27396 1 396 . 1 1 33 33 LEU H H 1 8.034 0.001 . 1 . . 157 . . 33 LEU H . 27396 1 397 . 1 1 33 33 LEU HA H 1 3.781 0.003 . 1 . . 367 . . 33 LEU HA . 27396 1 398 . 1 1 33 33 LEU HB2 H 1 1.168 0.001 . 2 . . 368 . . 33 LEU HB2 . 27396 1 399 . 1 1 33 33 LEU HB3 H 1 1.951 . . 2 . . 369 . . 33 LEU HB3 . 27396 1 400 . 1 1 33 33 LEU HG H 1 2.07 0.002 . 1 . . 373 . . 33 LEU HG . 27396 1 401 . 1 1 33 33 LEU HD11 H 1 0.59 0.005 . 2 . . 371 . . 33 LEU HD11 . 27396 1 402 . 1 1 33 33 LEU HD12 H 1 0.59 0.005 . 2 . . 371 . . 33 LEU HD12 . 27396 1 403 . 1 1 33 33 LEU HD13 H 1 0.59 0.005 . 2 . . 371 . . 33 LEU HD13 . 27396 1 404 . 1 1 33 33 LEU HD21 H 1 0.694 0.008 . 2 . . 375 . . 33 LEU HD21 . 27396 1 405 . 1 1 33 33 LEU HD22 H 1 0.694 0.008 . 2 . . 375 . . 33 LEU HD22 . 27396 1 406 . 1 1 33 33 LEU HD23 H 1 0.694 0.008 . 2 . . 375 . . 33 LEU HD23 . 27396 1 407 . 1 1 33 33 LEU C C 13 179.394 . . 1 . . 926 . . 33 LEU C . 27396 1 408 . 1 1 33 33 LEU CA C 13 57.968 0.036 . 1 . . 287 . . 33 LEU CA . 27396 1 409 . 1 1 33 33 LEU CB C 13 41.591 0.021 . 1 . . 288 . . 33 LEU CB . 27396 1 410 . 1 1 33 33 LEU CG C 13 26.372 0.035 . 1 . . 372 . . 33 LEU CG . 27396 1 411 . 1 1 33 33 LEU CD1 C 13 23.654 0.026 . 2 . . 370 . . 33 LEU CD1 . 27396 1 412 . 1 1 33 33 LEU CD2 C 13 26.216 0.041 . 2 . . 374 . . 33 LEU CD2 . 27396 1 413 . 1 1 33 33 LEU N N 15 116.465 0.042 . 1 . . 158 . . 33 LEU N . 27396 1 414 . 1 1 34 34 GLN H H 1 8.111 0.003 . 1 . . 167 . . 34 GLN H . 27396 1 415 . 1 1 34 34 GLN HA H 1 4.361 0.001 . 1 . . 820 . . 34 GLN HA . 27396 1 416 . 1 1 34 34 GLN HB2 H 1 2.185 0.0 . 1 . . 821 . . 34 GLN HB2 . 27396 1 417 . 1 1 34 34 GLN HB3 H 1 2.185 0.0 . 1 . . 822 . . 34 GLN HB3 . 27396 1 418 . 1 1 34 34 GLN HG2 H 1 2.24 0.004 . 2 . . 823 . . 34 GLN HG2 . 27396 1 419 . 1 1 34 34 GLN HG3 H 1 2.463 0.002 . 2 . . 824 . . 34 GLN HG3 . 27396 1 420 . 1 1 34 34 GLN HE21 H 1 7.271 0.001 . 1 . . 33 . . 34 GLN HE21 . 27396 1 421 . 1 1 34 34 GLN HE22 H 1 6.858 0.001 . 1 . . 41 . . 34 GLN HE22 . 27396 1 422 . 1 1 34 34 GLN C C 13 179.872 . . 1 . . 927 . . 34 GLN C . 27396 1 423 . 1 1 34 34 GLN CA C 13 59.068 0.034 . 1 . . 289 . . 34 GLN CA . 27396 1 424 . 1 1 34 34 GLN CB C 13 29.314 0.014 . 1 . . 273 . . 34 GLN CB . 27396 1 425 . 1 1 34 34 GLN CG C 13 34.909 0.03 . 1 . . 819 . . 34 GLN CG . 27396 1 426 . 1 1 34 34 GLN CD C 13 179.779 0.018 . 1 . . 864 . . 34 GLN CD . 27396 1 427 . 1 1 34 34 GLN N N 15 117.667 0.022 . 1 . . 168 . . 34 GLN N . 27396 1 428 . 1 1 34 34 GLN NE2 N 15 110.056 0.021 . 1 . . 34 . . 34 GLN NE2 . 27396 1 429 . 1 1 35 35 LYS H H 1 8.354 0.002 . 1 . . 11 . . 35 LYS H . 27396 1 430 . 1 1 35 35 LYS HA H 1 4.06 0.005 . 1 . . 584 . . 35 LYS HA . 27396 1 431 . 1 1 35 35 LYS HB2 H 1 2.035 0.007 . 1 . . 586 . . 35 LYS HB2 . 27396 1 432 . 1 1 35 35 LYS HB3 H 1 2.035 0.007 . 1 . . 587 . . 35 LYS HB3 . 27396 1 433 . 1 1 35 35 LYS HG2 H 1 1.573 0.006 . 1 . . 883 . . 35 LYS HG2 . 27396 1 434 . 1 1 35 35 LYS HG3 H 1 1.573 0.006 . 1 . . 884 . . 35 LYS HG3 . 27396 1 435 . 1 1 35 35 LYS HD2 H 1 1.72 . . 1 . . 620 . . 35 LYS HD2 . 27396 1 436 . 1 1 35 35 LYS HD3 H 1 1.72 . . 1 . . 621 . . 35 LYS HD3 . 27396 1 437 . 1 1 35 35 LYS HE2 H 1 2.987 0.006 . 1 . . 622 . . 35 LYS HE2 . 27396 1 438 . 1 1 35 35 LYS HE3 H 1 2.987 0.006 . 1 . . 623 . . 35 LYS HE3 . 27396 1 439 . 1 1 35 35 LYS C C 13 178.864 . . 1 . . 928 . . 35 LYS C . 27396 1 440 . 1 1 35 35 LYS CA C 13 59.616 0.04 . 1 . . 275 . . 35 LYS CA . 27396 1 441 . 1 1 35 35 LYS CB C 13 32.326 0.015 . 1 . . 274 . . 35 LYS CB . 27396 1 442 . 1 1 35 35 LYS CG C 13 25.058 0.022 . 1 . . 588 . . 35 LYS CG . 27396 1 443 . 1 1 35 35 LYS CD C 13 29.355 0.008 . 1 . . 589 . . 35 LYS CD . 27396 1 444 . 1 1 35 35 LYS CE C 13 42.183 0.022 . 1 . . 590 . . 35 LYS CE . 27396 1 445 . 1 1 35 35 LYS N N 15 123.235 0.038 . 1 . . 12 . . 35 LYS N . 27396 1 446 . 1 1 36 36 GLU H H 1 8.038 0.002 . 1 . . 159 . . 36 GLU H . 27396 1 447 . 1 1 36 36 GLU HA H 1 4.284 0.003 . 1 . . 585 . . 36 GLU HA . 27396 1 448 . 1 1 36 36 GLU HB2 H 1 1.728 0.001 . 2 . . 797 . . 36 GLU HB2 . 27396 1 449 . 1 1 36 36 GLU HB3 H 1 2.324 0.001 . 2 . . 798 . . 36 GLU HB3 . 27396 1 450 . 1 1 36 36 GLU HG2 H 1 2.114 0.001 . 2 . . 799 . . 36 GLU HG2 . 27396 1 451 . 1 1 36 36 GLU HG3 H 1 2.35 0.003 . 2 . . 800 . . 36 GLU HG3 . 27396 1 452 . 1 1 36 36 GLU C C 13 176.545 . . 1 . . 929 . . 36 GLU C . 27396 1 453 . 1 1 36 36 GLU CA C 13 55.941 0.009 . 1 . . 276 . . 36 GLU CA . 27396 1 454 . 1 1 36 36 GLU CB C 13 30.133 0.045 . 1 . . 277 . . 36 GLU CB . 27396 1 455 . 1 1 36 36 GLU CG C 13 36.543 0.018 . 1 . . 796 . . 36 GLU CG . 27396 1 456 . 1 1 36 36 GLU N N 15 114.631 0.036 . 1 . . 160 . . 36 GLU N . 27396 1 457 . 1 1 37 37 GLY H H 1 7.687 0.003 . 1 . . 125 . . 37 GLY H . 27396 1 458 . 1 1 37 37 GLY HA2 H 1 3.845 0.003 . 2 . . 776 . . 37 GLY HA2 . 27396 1 459 . 1 1 37 37 GLY HA3 H 1 4.037 0.003 . 2 . . 777 . . 37 GLY HA3 . 27396 1 460 . 1 1 37 37 GLY C C 13 174.545 . . 1 . . 930 . . 37 GLY C . 27396 1 461 . 1 1 37 37 GLY CA C 13 46.004 0.02 . 1 . . 278 . . 37 GLY CA . 27396 1 462 . 1 1 37 37 GLY N N 15 106.778 0.032 . 1 . . 126 . . 37 GLY N . 27396 1 463 . 1 1 38 38 LEU H H 1 7.886 0.001 . 1 . . 149 . . 38 LEU H . 27396 1 464 . 1 1 38 38 LEU HA H 1 4.212 0.004 . 1 . . 376 . . 38 LEU HA . 27396 1 465 . 1 1 38 38 LEU HB2 H 1 1.416 0.009 . 2 . . 380 . . 38 LEU HB2 . 27396 1 466 . 1 1 38 38 LEU HB3 H 1 1.576 0.002 . 2 . . 381 . . 38 LEU HB3 . 27396 1 467 . 1 1 38 38 LEU HG H 1 1.463 0.001 . 1 . . 382 . . 38 LEU HG . 27396 1 468 . 1 1 38 38 LEU HD11 H 1 0.741 0.001 . 2 . . 383 . . 38 LEU HD11 . 27396 1 469 . 1 1 38 38 LEU HD12 H 1 0.741 0.001 . 2 . . 383 . . 38 LEU HD12 . 27396 1 470 . 1 1 38 38 LEU HD13 H 1 0.741 0.001 . 2 . . 383 . . 38 LEU HD13 . 27396 1 471 . 1 1 38 38 LEU HD21 H 1 0.732 0.002 . 2 . . 384 . . 38 LEU HD21 . 27396 1 472 . 1 1 38 38 LEU HD22 H 1 0.732 0.002 . 2 . . 384 . . 38 LEU HD22 . 27396 1 473 . 1 1 38 38 LEU HD23 H 1 0.732 0.002 . 2 . . 384 . . 38 LEU HD23 . 27396 1 474 . 1 1 38 38 LEU C C 13 175.409 . . 1 . . 931 . . 38 LEU C . 27396 1 475 . 1 1 38 38 LEU CA C 13 55.081 0.025 . 1 . . 279 . . 38 LEU CA . 27396 1 476 . 1 1 38 38 LEU CB C 13 43.123 0.027 . 1 . . 280 . . 38 LEU CB . 27396 1 477 . 1 1 38 38 LEU CG C 13 27.445 0.032 . 1 . . 379 . . 38 LEU CG . 27396 1 478 . 1 1 38 38 LEU CD1 C 13 22.904 0.01 . 2 . . 377 . . 38 LEU CD1 . 27396 1 479 . 1 1 38 38 LEU CD2 C 13 25.770 0.042 . 2 . . 378 . . 38 LEU CD2 . 27396 1 480 . 1 1 38 38 LEU N N 15 118.852 0.029 . 1 . . 150 . . 38 LEU N . 27396 1 481 . 1 1 39 39 LEU H H 1 7.071 0.002 . 1 . . 76 . . 39 LEU H . 27396 1 482 . 1 1 39 39 LEU HA H 1 4.494 0.004 . 1 . . 385 . . 39 LEU HA . 27396 1 483 . 1 1 39 39 LEU HB2 H 1 1.151 0.002 . 2 . . 386 . . 39 LEU HB2 . 27396 1 484 . 1 1 39 39 LEU HB3 H 1 1.527 0.007 . 2 . . 387 . . 39 LEU HB3 . 27396 1 485 . 1 1 39 39 LEU HG H 1 1.32 0.001 . 1 . . 391 . . 39 LEU HG . 27396 1 486 . 1 1 39 39 LEU HD11 H 1 0.833 0.001 . 2 . . 392 . . 39 LEU HD11 . 27396 1 487 . 1 1 39 39 LEU HD12 H 1 0.833 0.001 . 2 . . 392 . . 39 LEU HD12 . 27396 1 488 . 1 1 39 39 LEU HD13 H 1 0.833 0.001 . 2 . . 392 . . 39 LEU HD13 . 27396 1 489 . 1 1 39 39 LEU HD21 H 1 0.846 0.001 . 2 . . 393 . . 39 LEU HD21 . 27396 1 490 . 1 1 39 39 LEU HD22 H 1 0.846 0.001 . 2 . . 393 . . 39 LEU HD22 . 27396 1 491 . 1 1 39 39 LEU HD23 H 1 0.846 0.001 . 2 . . 393 . . 39 LEU HD23 . 27396 1 492 . 1 1 39 39 LEU C C 13 175.832 . . 1 . . 932 . . 39 LEU C . 27396 1 493 . 1 1 39 39 LEU CA C 13 53.443 0.024 . 1 . . 282 . . 39 LEU CA . 27396 1 494 . 1 1 39 39 LEU CB C 13 44.838 0.026 . 1 . . 281 . . 39 LEU CB . 27396 1 495 . 1 1 39 39 LEU CG C 13 26.864 0.059 . 1 . . 388 . . 39 LEU CG . 27396 1 496 . 1 1 39 39 LEU CD1 C 13 26.016 0.04 . 2 . . 389 . . 39 LEU CD1 . 27396 1 497 . 1 1 39 39 LEU CD2 C 13 24.996 0.07 . 2 . . 390 . . 39 LEU CD2 . 27396 1 498 . 1 1 39 39 LEU N N 15 115.715 0.026 . 1 . . 77 . . 39 LEU N . 27396 1 499 . 1 1 40 40 MET H H 1 9.043 0.001 . 1 . . 23 . . 40 MET H . 27396 1 500 . 1 1 40 40 MET HA H 1 4.5 0.001 . 1 . . 758 . . 40 MET HA . 27396 1 501 . 1 1 40 40 MET HB2 H 1 2.102 0.005 . 2 . . 756 . . 40 MET HB2 . 27396 1 502 . 1 1 40 40 MET HB3 H 1 2.156 0.001 . 2 . . 757 . . 40 MET HB3 . 27396 1 503 . 1 1 40 40 MET HG2 H 1 2.471 0.004 . 2 . . 760 . . 40 MET HG2 . 27396 1 504 . 1 1 40 40 MET HG3 H 1 2.661 0.002 . 2 . . 761 . . 40 MET HG3 . 27396 1 505 . 1 1 40 40 MET HE1 H 1 2.062 0.001 . 1 . . 769 . . 40 MET HE1 . 27396 1 506 . 1 1 40 40 MET HE2 H 1 2.062 0.001 . 1 . . 769 . . 40 MET HE2 . 27396 1 507 . 1 1 40 40 MET HE3 H 1 2.062 0.001 . 1 . . 769 . . 40 MET HE3 . 27396 1 508 . 1 1 40 40 MET C C 13 176.646 . . 1 . . 933 . . 40 MET C . 27396 1 509 . 1 1 40 40 MET CA C 13 56.646 0.032 . 1 . . 283 . . 40 MET CA . 27396 1 510 . 1 1 40 40 MET CB C 13 32.174 0.059 . 1 . . 284 . . 40 MET CB . 27396 1 511 . 1 1 40 40 MET CG C 13 32.449 0.02 . 1 . . 759 . . 40 MET CG . 27396 1 512 . 1 1 40 40 MET CE C 13 16.976 0.004 . 1 . . 768 . . 40 MET CE . 27396 1 513 . 1 1 40 40 MET N N 15 123.321 0.028 . 1 . . 24 . . 40 MET N . 27396 1 514 . 1 1 41 41 SER H H 1 7.77 0.002 . 1 . . 103 . . 41 SER H . 27396 1 515 . 1 1 41 41 SER HA H 1 4.924 0.006 . 1 . . 676 . . 41 SER HA . 27396 1 516 . 1 1 41 41 SER HB2 H 1 3.742 0.005 . 2 . . 674 . . 41 SER HB2 . 27396 1 517 . 1 1 41 41 SER HB3 H 1 3.854 0.005 . 2 . . 675 . . 41 SER HB3 . 27396 1 518 . 1 1 41 41 SER C C 13 173.967 . . 1 . . 470 . . 41 SER C . 27396 1 519 . 1 1 41 41 SER CA C 13 55.242 0.014 . 1 . . 285 . . 41 SER CA . 27396 1 520 . 1 1 41 41 SER CB C 13 64.637 0.039 . 1 . . 286 . . 41 SER CB . 27396 1 521 . 1 1 41 41 SER N N 15 114.104 0.041 . 1 . . 104 . . 41 SER N . 27396 1 522 . 1 1 42 42 PRO HA H 1 4.121 0.0 . 1 . . 720 . . 42 PRO HA . 27396 1 523 . 1 1 42 42 PRO HB2 H 1 1.981 0.0 . 2 . . 722 . . 42 PRO HB2 . 27396 1 524 . 1 1 42 42 PRO HB3 H 1 2.221 0.001 . 2 . . 723 . . 42 PRO HB3 . 27396 1 525 . 1 1 42 42 PRO HG2 H 1 1.982 0.001 . 2 . . 725 . . 42 PRO HG2 . 27396 1 526 . 1 1 42 42 PRO HG3 H 1 2.22 0.002 . 2 . . 726 . . 42 PRO HG3 . 27396 1 527 . 1 1 42 42 PRO HD2 H 1 3.843 0.003 . 2 . . 727 . . 42 PRO HD2 . 27396 1 528 . 1 1 42 42 PRO HD3 H 1 3.949 0.001 . 2 . . 728 . . 42 PRO HD3 . 27396 1 529 . 1 1 42 42 PRO C C 13 176.313 . . 1 . . 934 . . 42 PRO C . 27396 1 530 . 1 1 42 42 PRO CA C 13 65.810 0.033 . 1 . . 181 . . 42 PRO CA . 27396 1 531 . 1 1 42 42 PRO CB C 13 31.804 0.033 . 1 . . 182 . . 42 PRO CB . 27396 1 532 . 1 1 42 42 PRO CG C 13 27.900 0.045 . 1 . . 721 . . 42 PRO CG . 27396 1 533 . 1 1 42 42 PRO CD C 13 50.682 0.023 . 1 . . 724 . . 42 PRO CD . 27396 1 534 . 1 1 43 43 SER H H 1 7.703 0.004 . 1 . . 1 . . 43 SER H . 27396 1 535 . 1 1 43 43 SER HA H 1 3.723 0.005 . 1 . . 677 . . 43 SER HA . 27396 1 536 . 1 1 43 43 SER HB2 H 1 3.774 0.005 . 2 . . 678 . . 43 SER HB2 . 27396 1 537 . 1 1 43 43 SER HB3 H 1 4.001 0.008 . 2 . . 679 . . 43 SER HB3 . 27396 1 538 . 1 1 43 43 SER C C 13 176.349 . . 1 . . 935 . . 43 SER C . 27396 1 539 . 1 1 43 43 SER CA C 13 60.187 0.045 . 1 . . 173 . . 43 SER CA . 27396 1 540 . 1 1 43 43 SER CB C 13 62.624 0.045 . 1 . . 174 . . 43 SER CB . 27396 1 541 . 1 1 43 43 SER N N 15 107.858 0.025 . 1 . . 2 . . 43 SER N . 27396 1 542 . 1 1 44 44 ASP H H 1 8.203 0.004 . 1 . . 13 . . 44 ASP H . 27396 1 543 . 1 1 44 44 ASP HA H 1 4.451 0.006 . 1 . . 403 . . 44 ASP HA . 27396 1 544 . 1 1 44 44 ASP HB2 H 1 2.836 0.005 . 2 . . 404 . . 44 ASP HB2 . 27396 1 545 . 1 1 44 44 ASP HB3 H 1 2.939 0.004 . 2 . . 405 . . 44 ASP HB3 . 27396 1 546 . 1 1 44 44 ASP C C 13 177.975 . . 1 . . 936 . . 44 ASP C . 27396 1 547 . 1 1 44 44 ASP CA C 13 57.133 0.017 . 1 . . 175 . . 44 ASP CA . 27396 1 548 . 1 1 44 44 ASP CB C 13 40.549 0.034 . 1 . . 176 . . 44 ASP CB . 27396 1 549 . 1 1 44 44 ASP N N 15 124.518 0.024 . 1 . . 14 . . 44 ASP N . 27396 1 550 . 1 1 45 45 LEU H H 1 7.469 0.003 . 1 . . 74 . . 45 LEU H . 27396 1 551 . 1 1 45 45 LEU HA H 1 4.258 0.002 . 1 . . 394 . . 45 LEU HA . 27396 1 552 . 1 1 45 45 LEU HB2 H 1 1.481 0.002 . 2 . . 396 . . 45 LEU HB2 . 27396 1 553 . 1 1 45 45 LEU HB3 H 1 1.626 0.005 . 2 . . 397 . . 45 LEU HB3 . 27396 1 554 . 1 1 45 45 LEU HG H 1 1.886 0.003 . 1 . . 398 . . 45 LEU HG . 27396 1 555 . 1 1 45 45 LEU HD11 H 1 0.848 0.002 . 2 . . 400 . . 45 LEU HD11 . 27396 1 556 . 1 1 45 45 LEU HD12 H 1 0.848 0.002 . 2 . . 400 . . 45 LEU HD12 . 27396 1 557 . 1 1 45 45 LEU HD13 H 1 0.848 0.002 . 2 . . 400 . . 45 LEU HD13 . 27396 1 558 . 1 1 45 45 LEU HD21 H 1 0.897 0.008 . 2 . . 402 . . 45 LEU HD21 . 27396 1 559 . 1 1 45 45 LEU HD22 H 1 0.897 0.008 . 2 . . 402 . . 45 LEU HD22 . 27396 1 560 . 1 1 45 45 LEU HD23 H 1 0.897 0.008 . 2 . . 402 . . 45 LEU HD23 . 27396 1 561 . 1 1 45 45 LEU C C 13 176.164 . . 1 . . 976 . . 45 LEU C . 27396 1 562 . 1 1 45 45 LEU CA C 13 56.520 0.026 . 1 . . 178 . . 45 LEU CA . 27396 1 563 . 1 1 45 45 LEU CB C 13 42.120 0.038 . 1 . . 177 . . 45 LEU CB . 27396 1 564 . 1 1 45 45 LEU CG C 13 26.589 0.116 . 1 . . 395 . . 45 LEU CG . 27396 1 565 . 1 1 45 45 LEU CD1 C 13 25.615 0.024 . 2 . . 399 . . 45 LEU CD1 . 27396 1 566 . 1 1 45 45 LEU CD2 C 13 25.286 0.038 . 2 . . 401 . . 45 LEU CD2 . 27396 1 567 . 1 1 45 45 LEU N N 15 117.945 0.022 . 1 . . 75 . . 45 LEU N . 27396 1 568 . 1 1 46 46 TYR H H 1 7.202 0.002 . 1 . . 169 . . 46 TYR H . 27396 1 569 . 1 1 46 46 TYR HA H 1 4.737 0.006 . 1 . . 539 . . 46 TYR HA . 27396 1 570 . 1 1 46 46 TYR HB2 H 1 2.992 0.002 . 2 . . 537 . . 46 TYR HB2 . 27396 1 571 . 1 1 46 46 TYR HB3 H 1 3.427 0.001 . 2 . . 538 . . 46 TYR HB3 . 27396 1 572 . 1 1 46 46 TYR HD1 H 1 7.136 0.001 . 1 . . 553 . . 46 TYR HD1 . 27396 1 573 . 1 1 46 46 TYR HD2 H 1 7.136 0.001 . 1 . . 553 . . 46 TYR HD2 . 27396 1 574 . 1 1 46 46 TYR HE1 H 1 6.716 0.003 . 1 . . 550 . . 46 TYR HE1 . 27396 1 575 . 1 1 46 46 TYR HE2 H 1 6.716 0.003 . 1 . . 550 . . 46 TYR HE2 . 27396 1 576 . 1 1 46 46 TYR C C 13 176.682 . . 1 . . 937 . . 46 TYR C . 27396 1 577 . 1 1 46 46 TYR CA C 13 56.975 0.012 . 1 . . 179 . . 46 TYR CA . 27396 1 578 . 1 1 46 46 TYR CB C 13 37.784 0.056 . 1 . . 180 . . 46 TYR CB . 27396 1 579 . 1 1 46 46 TYR CG C 13 129.839 0.018 . 1 . . 552 . . 46 TYR CG . 27396 1 580 . 1 1 46 46 TYR CD1 C 13 132.261 0.056 . 1 . . 551 . . 46 TYR CD1 . 27396 1 581 . 1 1 46 46 TYR CD2 C 13 132.261 0.056 . 1 . . 551 . . 46 TYR CD2 . 27396 1 582 . 1 1 46 46 TYR CE1 C 13 117.666 0.046 . 1 . . 549 . . 46 TYR CE1 . 27396 1 583 . 1 1 46 46 TYR CE2 C 13 117.666 0.046 . 1 . . 549 . . 46 TYR CE2 . 27396 1 584 . 1 1 46 46 TYR N N 15 112.766 0.038 . 1 . . 170 . . 46 TYR N . 27396 1 585 . 1 1 47 47 SER H H 1 7.492 0.002 . 1 . . 139 . . 47 SER H . 27396 1 586 . 1 1 47 47 SER HA H 1 4.7 0.003 . 1 . . 682 . . 47 SER HA . 27396 1 587 . 1 1 47 47 SER HB2 H 1 3.923 0.006 . 1 . . 680 . . 47 SER HB2 . 27396 1 588 . 1 1 47 47 SER HB3 H 1 3.923 0.006 . 1 . . 681 . . 47 SER HB3 . 27396 1 589 . 1 1 47 47 SER C C 13 172.908 . . 1 . . 979 . . 47 SER C . 27396 1 590 . 1 1 47 47 SER CA C 13 54.719 0.003 . 1 . . 249 . . 47 SER CA . 27396 1 591 . 1 1 47 47 SER CB C 13 63.836 0.051 . 1 . . 248 . . 47 SER CB . 27396 1 592 . 1 1 47 47 SER N N 15 114.240 0.027 . 1 . . 140 . . 47 SER N . 27396 1 593 . 1 1 48 48 PRO HA H 1 1.69 0.001 . 1 . . 740 . . 48 PRO HA . 27396 1 594 . 1 1 48 48 PRO HB2 H 1 1.432 0.001 . 2 . . 731 . . 48 PRO HB2 . 27396 1 595 . 1 1 48 48 PRO HB3 H 1 1.477 0.0 . 2 . . 732 . . 48 PRO HB3 . 27396 1 596 . 1 1 48 48 PRO HG2 H 1 1.779 0.0 . 2 . . 735 . . 48 PRO HG2 . 27396 1 597 . 1 1 48 48 PRO HG3 H 1 1.424 0.0 . 2 . . 737 . . 48 PRO HG3 . 27396 1 598 . 1 1 48 48 PRO HD2 H 1 3.548 0.002 . 2 . . 738 . . 48 PRO HD2 . 27396 1 599 . 1 1 48 48 PRO HD3 H 1 3.918 0.002 . 2 . . 739 . . 48 PRO HD3 . 27396 1 600 . 1 1 48 48 PRO C C 13 178.417 . . 1 . . 938 . . 48 PRO C . 27396 1 601 . 1 1 48 48 PRO CA C 13 62.741 0.034 . 1 . . 334 . . 48 PRO CA . 27396 1 602 . 1 1 48 48 PRO CB C 13 31.700 0.021 . 1 . . 335 . . 48 PRO CB . 27396 1 603 . 1 1 48 48 PRO CG C 13 27.236 0.019 . 1 . . 734 . . 48 PRO CG . 27396 1 604 . 1 1 48 48 PRO CD C 13 50.886 0.031 . 1 . . 733 . . 48 PRO CD . 27396 1 605 . 1 1 49 49 GLY H H 1 7.977 0.002 . 1 . . 58 . . 49 GLY H . 27396 1 606 . 1 1 49 49 GLY HA2 H 1 3.715 0.002 . 2 . . 778 . . 49 GLY HA2 . 27396 1 607 . 1 1 49 49 GLY HA3 H 1 3.854 0.002 . 2 . . 779 . . 49 GLY HA3 . 27396 1 608 . 1 1 49 49 GLY C C 13 175.083 . . 1 . . 939 . . 49 GLY C . 27396 1 609 . 1 1 49 49 GLY CA C 13 46.090 0.035 . 1 . . 333 . . 49 GLY CA . 27396 1 610 . 1 1 49 49 GLY N N 15 104.892 0.037 . 1 . . 59 . . 49 GLY N . 27396 1 611 . 1 1 50 50 SER H H 1 7.953 0.002 . 1 . . 91 . . 50 SER H . 27396 1 612 . 1 1 50 50 SER HA H 1 4.433 0.004 . 1 . . 683 . . 50 SER HA . 27396 1 613 . 1 1 50 50 SER HB2 H 1 3.894 0.005 . 2 . . 684 . . 50 SER HB2 . 27396 1 614 . 1 1 50 50 SER HB3 H 1 4.07 0.001 . 2 . . 685 . . 50 SER HB3 . 27396 1 615 . 1 1 50 50 SER C C 13 177.022 . . 1 . . 940 . . 50 SER C . 27396 1 616 . 1 1 50 50 SER CA C 13 59.699 0.045 . 1 . . 329 . . 50 SER CA . 27396 1 617 . 1 1 50 50 SER CB C 13 64.441 0.043 . 1 . . 330 . . 50 SER CB . 27396 1 618 . 1 1 50 50 SER N N 15 114.849 0.024 . 1 . . 92 . . 50 SER N . 27396 1 619 . 1 1 51 51 TRP H H 1 7.249 0.002 . 1 . . 31 . . 51 TRP H . 27396 1 620 . 1 1 51 51 TRP HA H 1 4.937 0.004 . 1 . . 705 . . 51 TRP HA . 27396 1 621 . 1 1 51 51 TRP HB2 H 1 3.487 0.002 . 2 . . 707 . . 51 TRP HB2 . 27396 1 622 . 1 1 51 51 TRP HB3 H 1 3.571 0.005 . 2 . . 708 . . 51 TRP HB3 . 27396 1 623 . 1 1 51 51 TRP HD1 H 1 7.103 0.003 . 1 . . 558 . . 51 TRP HD1 . 27396 1 624 . 1 1 51 51 TRP HE1 H 1 10.44 0.005 . 1 . . 110 . . 51 TRP HE1 . 27396 1 625 . 1 1 51 51 TRP HE3 H 1 7.635 0.001 . 1 . . 563 . . 51 TRP HE3 . 27396 1 626 . 1 1 51 51 TRP HZ2 H 1 7.188 0.002 . 1 . . 555 . . 51 TRP HZ2 . 27396 1 627 . 1 1 51 51 TRP HZ3 H 1 7.019 0.002 . 1 . . 561 . . 51 TRP HZ3 . 27396 1 628 . 1 1 51 51 TRP HH2 H 1 6.896 0.002 . 1 . . 560 . . 51 TRP HH2 . 27396 1 629 . 1 1 51 51 TRP C C 13 178.013 . . 1 . . 941 . . 51 TRP C . 27396 1 630 . 1 1 51 51 TRP CA C 13 59.414 0.051 . 1 . . 327 . . 51 TRP CA . 27396 1 631 . 1 1 51 51 TRP CB C 13 29.648 0.018 . 1 . . 328 . . 51 TRP CB . 27396 1 632 . 1 1 51 51 TRP CD1 C 13 125.235 0.07 . 1 . . 557 . . 51 TRP CD1 . 27396 1 633 . 1 1 51 51 TRP CE3 C 13 121.358 0.107 . 1 . . 562 . . 51 TRP CE3 . 27396 1 634 . 1 1 51 51 TRP CZ2 C 13 114.039 0.085 . 1 . . 554 . . 51 TRP CZ2 . 27396 1 635 . 1 1 51 51 TRP CZ3 C 13 121.306 0.039 . 1 . . 556 . . 51 TRP CZ3 . 27396 1 636 . 1 1 51 51 TRP CH2 C 13 123.437 0.069 . 1 . . 559 . . 51 TRP CH2 . 27396 1 637 . 1 1 51 51 TRP N N 15 122.363 0.032 . 1 . . 32 . . 51 TRP N . 27396 1 638 . 1 1 51 51 TRP NE1 N 15 129.371 0.029 . 1 . . 111 . . 51 TRP NE1 . 27396 1 639 . 1 1 52 52 ASP H H 1 9.311 0.003 . 1 . . 93 . . 52 ASP H . 27396 1 640 . 1 1 52 52 ASP HA H 1 4.853 0.002 . 1 . . 839 . . 52 ASP HA . 27396 1 641 . 1 1 52 52 ASP HB2 H 1 2.756 0.006 . 2 . . 837 . . 52 ASP HB2 . 27396 1 642 . 1 1 52 52 ASP HB3 H 1 2.902 0.003 . 2 . . 838 . . 52 ASP HB3 . 27396 1 643 . 1 1 52 52 ASP C C 13 177.381 . . 1 . . 471 . . 52 ASP C . 27396 1 644 . 1 1 52 52 ASP CA C 13 59.334 0.056 . 1 . . 332 . . 52 ASP CA . 27396 1 645 . 1 1 52 52 ASP CB C 13 37.472 0.018 . 1 . . 331 . . 52 ASP CB . 27396 1 646 . 1 1 52 52 ASP N N 15 120.163 0.022 . 1 . . 94 . . 52 ASP N . 27396 1 647 . 1 1 53 53 PRO HA H 1 4.355 0.001 . 1 . . 741 . . 53 PRO HA . 27396 1 648 . 1 1 53 53 PRO HB2 H 1 1.902 0.0 . 2 . . 729 . . 53 PRO HB2 . 27396 1 649 . 1 1 53 53 PRO HB3 H 1 2.354 0.0 . 2 . . 730 . . 53 PRO HB3 . 27396 1 650 . 1 1 53 53 PRO HG2 H 1 1.988 0.002 . 2 . . 746 . . 53 PRO HG2 . 27396 1 651 . 1 1 53 53 PRO HG3 H 1 2.227 0.002 . 2 . . 747 . . 53 PRO HG3 . 27396 1 652 . 1 1 53 53 PRO HD2 H 1 3.698 0.001 . 2 . . 743 . . 53 PRO HD2 . 27396 1 653 . 1 1 53 53 PRO HD3 H 1 3.724 0.003 . 2 . . 745 . . 53 PRO HD3 . 27396 1 654 . 1 1 53 53 PRO C C 13 180.096 . . 1 . . 942 . . 53 PRO C . 27396 1 655 . 1 1 53 53 PRO CA C 13 66.003 0.023 . 1 . . 246 . . 53 PRO CA . 27396 1 656 . 1 1 53 53 PRO CB C 13 31.367 0.025 . 1 . . 247 . . 53 PRO CB . 27396 1 657 . 1 1 53 53 PRO CG C 13 28.095 0.019 . 1 . . 742 . . 53 PRO CG . 27396 1 658 . 1 1 53 53 PRO CD C 13 50.699 0.032 . 1 . . 744 . . 53 PRO CD . 27396 1 659 . 1 1 54 54 ILE H H 1 7.414 0.003 . 1 . . 70 . . 54 ILE H . 27396 1 660 . 1 1 54 54 ILE HA H 1 3.385 0.002 . 1 . . 482 . . 54 ILE HA . 27396 1 661 . 1 1 54 54 ILE HB H 1 1.72 0.002 . 1 . . 486 . . 54 ILE HB . 27396 1 662 . 1 1 54 54 ILE HG12 H 1 0.585 0.001 . 2 . . 487 . . 54 ILE HG12 . 27396 1 663 . 1 1 54 54 ILE HG13 H 1 1.906 0.001 . 2 . . 488 . . 54 ILE HG13 . 27396 1 664 . 1 1 54 54 ILE HG21 H 1 -0.692 0.001 . 1 . . 489 . . 54 ILE HG21 . 27396 1 665 . 1 1 54 54 ILE HG22 H 1 -0.692 0.001 . 1 . . 489 . . 54 ILE HG22 . 27396 1 666 . 1 1 54 54 ILE HG23 H 1 -0.692 0.001 . 1 . . 489 . . 54 ILE HG23 . 27396 1 667 . 1 1 54 54 ILE HD11 H 1 0.59 0.002 . 1 . . 490 . . 54 ILE HD11 . 27396 1 668 . 1 1 54 54 ILE HD12 H 1 0.59 0.002 . 1 . . 490 . . 54 ILE HD12 . 27396 1 669 . 1 1 54 54 ILE HD13 H 1 0.59 0.002 . 1 . . 490 . . 54 ILE HD13 . 27396 1 670 . 1 1 54 54 ILE C C 13 176.971 . . 1 . . 943 . . 54 ILE C . 27396 1 671 . 1 1 54 54 ILE CA C 13 66.399 0.03 . 1 . . 245 . . 54 ILE CA . 27396 1 672 . 1 1 54 54 ILE CB C 13 37.553 0.036 . 1 . . 244 . . 54 ILE CB . 27396 1 673 . 1 1 54 54 ILE CG1 C 13 30.307 0.018 . 1 . . 485 . . 54 ILE CG1 . 27396 1 674 . 1 1 54 54 ILE CG2 C 13 16.209 0.033 . 1 . . 483 . . 54 ILE CG2 . 27396 1 675 . 1 1 54 54 ILE CD1 C 13 14.235 0.039 . 1 . . 484 . . 54 ILE CD1 . 27396 1 676 . 1 1 54 54 ILE N N 15 119.028 0.041 . 1 . . 71 . . 54 ILE N . 27396 1 677 . 1 1 55 55 THR H H 1 8.65 0.003 . 1 . . 17 . . 55 THR H . 27396 1 678 . 1 1 55 55 THR HA H 1 3.718 0.001 . 1 . . 663 . . 55 THR HA . 27396 1 679 . 1 1 55 55 THR HB H 1 4.553 0.003 . 1 . . 699 . . 55 THR HB . 27396 1 680 . 1 1 55 55 THR HG21 H 1 1.313 0.003 . 1 . . 701 . . 55 THR HG21 . 27396 1 681 . 1 1 55 55 THR HG22 H 1 1.313 0.003 . 1 . . 701 . . 55 THR HG22 . 27396 1 682 . 1 1 55 55 THR HG23 H 1 1.313 0.003 . 1 . . 701 . . 55 THR HG23 . 27396 1 683 . 1 1 55 55 THR C C 13 177.445 . . 1 . . 944 . . 55 THR C . 27396 1 684 . 1 1 55 55 THR CA C 13 67.428 0.026 . 1 . . 243 . . 55 THR CA . 27396 1 685 . 1 1 55 55 THR CB C 13 68.708 0.045 . 1 . . 242 . . 55 THR CB . 27396 1 686 . 1 1 55 55 THR CG2 C 13 22.670 0.019 . 1 . . 700 . . 55 THR CG2 . 27396 1 687 . 1 1 55 55 THR N N 15 118.059 0.04 . 1 . . 18 . . 55 THR N . 27396 1 688 . 1 1 56 56 ALA H H 1 8.51 0.003 . 1 . . 68 . . 56 ALA H . 27396 1 689 . 1 1 56 56 ALA HA H 1 4.13 0.003 . 1 . . 507 . . 56 ALA HA . 27396 1 690 . 1 1 56 56 ALA HB1 H 1 1.475 0.004 . 1 . . 506 . . 56 ALA HB1 . 27396 1 691 . 1 1 56 56 ALA HB2 H 1 1.475 0.004 . 1 . . 506 . . 56 ALA HB2 . 27396 1 692 . 1 1 56 56 ALA HB3 H 1 1.475 0.004 . 1 . . 506 . . 56 ALA HB3 . 27396 1 693 . 1 1 56 56 ALA C C 13 180.032 . . 1 . . 945 . . 56 ALA C . 27396 1 694 . 1 1 56 56 ALA CA C 13 55.508 0.018 . 1 . . 240 . . 56 ALA CA . 27396 1 695 . 1 1 56 56 ALA CB C 13 18.075 0.058 . 1 . . 241 . . 56 ALA CB . 27396 1 696 . 1 1 56 56 ALA N N 15 123.867 0.039 . 1 . . 69 . . 56 ALA N . 27396 1 697 . 1 1 57 57 ALA H H 1 7.969 0.004 . 1 . . 112 . . 57 ALA H . 27396 1 698 . 1 1 57 57 ALA HA H 1 4.177 0.002 . 1 . . 509 . . 57 ALA HA . 27396 1 699 . 1 1 57 57 ALA HB1 H 1 1.465 0.003 . 1 . . 510 . . 57 ALA HB1 . 27396 1 700 . 1 1 57 57 ALA HB2 H 1 1.465 0.003 . 1 . . 510 . . 57 ALA HB2 . 27396 1 701 . 1 1 57 57 ALA HB3 H 1 1.465 0.003 . 1 . . 510 . . 57 ALA HB3 . 27396 1 702 . 1 1 57 57 ALA C C 13 181.795 . . 1 . . 946 . . 57 ALA C . 27396 1 703 . 1 1 57 57 ALA CA C 13 55.134 0.036 . 1 . . 238 . . 57 ALA CA . 27396 1 704 . 1 1 57 57 ALA CB C 13 19.340 0.083 . 1 . . 239 . . 57 ALA CB . 27396 1 705 . 1 1 57 57 ALA N N 15 121.238 0.044 . 1 . . 113 . . 57 ALA N . 27396 1 706 . 1 1 58 58 LEU H H 1 8.784 0.002 . 1 . . 121 . . 58 LEU H . 27396 1 707 . 1 1 58 58 LEU HA H 1 4.072 0.002 . 1 . . 406 . . 58 LEU HA . 27396 1 708 . 1 1 58 58 LEU HB2 H 1 1.78 0.003 . 2 . . 410 . . 58 LEU HB2 . 27396 1 709 . 1 1 58 58 LEU HB3 H 1 1.245 0.002 . 2 . . 411 . . 58 LEU HB3 . 27396 1 710 . 1 1 58 58 LEU HG H 1 1.627 0.002 . 1 . . 412 . . 58 LEU HG . 27396 1 711 . 1 1 58 58 LEU HD11 H 1 0.602 0.006 . 2 . . 413 . . 58 LEU HD11 . 27396 1 712 . 1 1 58 58 LEU HD12 H 1 0.602 0.006 . 2 . . 413 . . 58 LEU HD12 . 27396 1 713 . 1 1 58 58 LEU HD13 H 1 0.602 0.006 . 2 . . 413 . . 58 LEU HD13 . 27396 1 714 . 1 1 58 58 LEU HD21 H 1 0.514 0.005 . 2 . . 414 . . 58 LEU HD21 . 27396 1 715 . 1 1 58 58 LEU HD22 H 1 0.514 0.005 . 2 . . 414 . . 58 LEU HD22 . 27396 1 716 . 1 1 58 58 LEU HD23 H 1 0.514 0.005 . 2 . . 414 . . 58 LEU HD23 . 27396 1 717 . 1 1 58 58 LEU C C 13 179.883 . . 1 . . 947 . . 58 LEU C . 27396 1 718 . 1 1 58 58 LEU CA C 13 57.470 0.015 . 1 . . 237 . . 58 LEU CA . 27396 1 719 . 1 1 58 58 LEU CB C 13 41.693 0.041 . 1 . . 236 . . 58 LEU CB . 27396 1 720 . 1 1 58 58 LEU CG C 13 26.459 0.078 . 1 . . 407 . . 58 LEU CG . 27396 1 721 . 1 1 58 58 LEU CD1 C 13 22.294 0.025 . 2 . . 409 . . 58 LEU CD1 . 27396 1 722 . 1 1 58 58 LEU CD2 C 13 25.740 0.027 . 2 . . 408 . . 58 LEU CD2 . 27396 1 723 . 1 1 58 58 LEU N N 15 117.508 0.034 . 1 . . 122 . . 58 LEU N . 27396 1 724 . 1 1 59 59 SER H H 1 8.503 0.002 . 1 . . 131 . . 59 SER H . 27396 1 725 . 1 1 59 59 SER HA H 1 4.348 0.002 . 1 . . 690 . . 59 SER HA . 27396 1 726 . 1 1 59 59 SER HB2 H 1 4.132 0.002 . 2 . . 689 . . 59 SER HB2 . 27396 1 727 . 1 1 59 59 SER HB3 H 1 3.991 0.004 . 2 . . 691 . . 59 SER HB3 . 27396 1 728 . 1 1 59 59 SER C C 13 176.428 . . 1 . . 948 . . 59 SER C . 27396 1 729 . 1 1 59 59 SER CA C 13 62.432 0.037 . 1 . . 235 . . 59 SER CA . 27396 1 730 . 1 1 59 59 SER CB C 13 62.608 0.067 . 1 . . 234 . . 59 SER CB . 27396 1 731 . 1 1 59 59 SER N N 15 117.550 0.026 . 1 . . 132 . . 59 SER N . 27396 1 732 . 1 1 60 60 GLN H H 1 7.901 0.001 . 1 . . 171 . . 60 GLN H . 27396 1 733 . 1 1 60 60 GLN HA H 1 4.171 0.002 . 1 . . 828 . . 60 GLN HA . 27396 1 734 . 1 1 60 60 GLN HB2 H 1 2.196 0.001 . 1 . . 829 . . 60 GLN HB2 . 27396 1 735 . 1 1 60 60 GLN HB3 H 1 2.196 0.001 . 1 . . 830 . . 60 GLN HB3 . 27396 1 736 . 1 1 60 60 GLN HG2 H 1 2.439 0.002 . 2 . . 826 . . 60 GLN HG2 . 27396 1 737 . 1 1 60 60 GLN HG3 H 1 2.484 0.004 . 2 . . 827 . . 60 GLN HG3 . 27396 1 738 . 1 1 60 60 GLN HE21 H 1 6.807 0.002 . 1 . . 78 . . 60 GLN HE21 . 27396 1 739 . 1 1 60 60 GLN HE22 H 1 7.397 0.004 . 1 . . 118 . . 60 GLN HE22 . 27396 1 740 . 1 1 60 60 GLN C C 13 177.998 . . 1 . . 949 . . 60 GLN C . 27396 1 741 . 1 1 60 60 GLN CA C 13 59.009 0.039 . 1 . . 232 . . 60 GLN CA . 27396 1 742 . 1 1 60 60 GLN CB C 13 28.456 0.024 . 1 . . 233 . . 60 GLN CB . 27396 1 743 . 1 1 60 60 GLN CG C 13 33.915 0.049 . 1 . . 825 . . 60 GLN CG . 27396 1 744 . 1 1 60 60 GLN CD C 13 179.911 0.005 . 1 . . 863 . . 60 GLN CD . 27396 1 745 . 1 1 60 60 GLN N N 15 122.086 0.025 . 1 . . 172 . . 60 GLN N . 27396 1 746 . 1 1 60 60 GLN NE2 N 15 111.168 0.037 . 1 . . 79 . . 60 GLN NE2 . 27396 1 747 . 1 1 61 61 ARG H H 1 7.833 0.003 . 1 . . 25 . . 61 ARG H . 27396 1 748 . 1 1 61 61 ARG HA H 1 4.103 0.001 . 1 . . 854 . . 61 ARG HA . 27396 1 749 . 1 1 61 61 ARG HB2 H 1 1.871 0.001 . 2 . . 855 . . 61 ARG HB2 . 27396 1 750 . 1 1 61 61 ARG HB3 H 1 1.919 0.0 . 2 . . 856 . . 61 ARG HB3 . 27396 1 751 . 1 1 61 61 ARG HG2 H 1 1.776 0.0 . 1 . . 857 . . 61 ARG HG2 . 27396 1 752 . 1 1 61 61 ARG HG3 H 1 1.776 0.0 . 1 . . 858 . . 61 ARG HG3 . 27396 1 753 . 1 1 61 61 ARG HD2 H 1 3.021 0.002 . 2 . . 851 . . 61 ARG HD2 . 27396 1 754 . 1 1 61 61 ARG HD3 H 1 3.204 0.002 . 2 . . 852 . . 61 ARG HD3 . 27396 1 755 . 1 1 61 61 ARG HE H 1 7.84 0.001 . 1 . . 859 . . 61 ARG HE . 27396 1 756 . 1 1 61 61 ARG C C 13 178.012 . . 1 . . 950 . . 61 ARG C . 27396 1 757 . 1 1 61 61 ARG CA C 13 58.911 0.046 . 1 . . 850 . . 61 ARG CA . 27396 1 758 . 1 1 61 61 ARG CB C 13 30.475 0.033 . 1 . . 231 . . 61 ARG CB . 27396 1 759 . 1 1 61 61 ARG CG C 13 27.617 0.034 . 1 . . 853 . . 61 ARG CG . 27396 1 760 . 1 1 61 61 ARG CD C 13 43.504 0.035 . 1 . . 849 . . 61 ARG CD . 27396 1 761 . 1 1 61 61 ARG CZ C 13 159.485 . . 1 . . 862 . . 61 ARG CZ . 27396 1 762 . 1 1 61 61 ARG N N 15 119.246 0.034 . 1 . . 26 . . 61 ARG N . 27396 1 763 . 1 1 61 61 ARG NE N 15 84.849 0.033 . 1 . . 82 . . 61 ARG NE . 27396 1 764 . 1 1 62 62 ALA H H 1 7.894 0.003 . 1 . . 27 . . 62 ALA H . 27396 1 765 . 1 1 62 62 ALA HA H 1 3.9 0.004 . 1 . . 512 . . 62 ALA HA . 27396 1 766 . 1 1 62 62 ALA HB1 H 1 1.51 0.001 . 1 . . 511 . . 62 ALA HB1 . 27396 1 767 . 1 1 62 62 ALA HB2 H 1 1.51 0.001 . 1 . . 511 . . 62 ALA HB2 . 27396 1 768 . 1 1 62 62 ALA HB3 H 1 1.51 0.001 . 1 . . 511 . . 62 ALA HB3 . 27396 1 769 . 1 1 62 62 ALA C C 13 179.719 . . 1 . . 951 . . 62 ALA C . 27396 1 770 . 1 1 62 62 ALA CA C 13 55.256 0.015 . 1 . . 230 . . 62 ALA CA . 27396 1 771 . 1 1 62 62 ALA CB C 13 19.101 0.068 . 1 . . 229 . . 62 ALA CB . 27396 1 772 . 1 1 62 62 ALA N N 15 120.723 0.046 . 1 . . 28 . . 62 ALA N . 27396 1 773 . 1 1 63 63 MET H H 1 7.871 0.0 . 1 . . 66 . . 63 MET H . 27396 1 774 . 1 1 63 63 MET HA H 1 4.222 0.002 . 1 . . 767 . . 63 MET HA . 27396 1 775 . 1 1 63 63 MET HB2 H 1 2.173 0.002 . 2 . . 763 . . 63 MET HB2 . 27396 1 776 . 1 1 63 63 MET HB3 H 1 2.197 0.003 . 2 . . 764 . . 63 MET HB3 . 27396 1 777 . 1 1 63 63 MET HG2 H 1 2.59 0.004 . 2 . . 765 . . 63 MET HG2 . 27396 1 778 . 1 1 63 63 MET HG3 H 1 2.716 0.003 . 2 . . 766 . . 63 MET HG3 . 27396 1 779 . 1 1 63 63 MET HE1 H 1 2.095 0.009 . 1 . . 771 . . 63 MET HE1 . 27396 1 780 . 1 1 63 63 MET HE2 H 1 2.095 0.009 . 1 . . 771 . . 63 MET HE2 . 27396 1 781 . 1 1 63 63 MET HE3 H 1 2.095 0.009 . 1 . . 771 . . 63 MET HE3 . 27396 1 782 . 1 1 63 63 MET C C 13 177.954 . . 1 . . 952 . . 63 MET C . 27396 1 783 . 1 1 63 63 MET CA C 13 58.161 0.053 . 1 . . 227 . . 63 MET CA . 27396 1 784 . 1 1 63 63 MET CB C 13 32.881 0.018 . 1 . . 228 . . 63 MET CB . 27396 1 785 . 1 1 63 63 MET CG C 13 32.055 0.02 . 1 . . 762 . . 63 MET CG . 27396 1 786 . 1 1 63 63 MET CE C 13 16.956 0.022 . 1 . . 770 . . 63 MET CE . 27396 1 787 . 1 1 63 63 MET N N 15 116.486 0.034 . 1 . . 67 . . 63 MET N . 27396 1 788 . 1 1 64 64 ILE H H 1 8.217 0.002 . 1 . . 114 . . 64 ILE H . 27396 1 789 . 1 1 64 64 ILE HA H 1 4.041 0.008 . 1 . . 491 . . 64 ILE HA . 27396 1 790 . 1 1 64 64 ILE HB H 1 1.949 0.001 . 1 . . 495 . . 64 ILE HB . 27396 1 791 . 1 1 64 64 ILE HG12 H 1 1.325 0.002 . 2 . . 496 . . 64 ILE HG12 . 27396 1 792 . 1 1 64 64 ILE HG13 H 1 1.611 0.001 . 2 . . 497 . . 64 ILE HG13 . 27396 1 793 . 1 1 64 64 ILE HG21 H 1 0.932 0.003 . 1 . . 498 . . 64 ILE HG21 . 27396 1 794 . 1 1 64 64 ILE HG22 H 1 0.932 0.003 . 1 . . 498 . . 64 ILE HG22 . 27396 1 795 . 1 1 64 64 ILE HG23 H 1 0.932 0.003 . 1 . . 498 . . 64 ILE HG23 . 27396 1 796 . 1 1 64 64 ILE HD11 H 1 0.849 0.002 . 1 . . 499 . . 64 ILE HD11 . 27396 1 797 . 1 1 64 64 ILE HD12 H 1 0.849 0.002 . 1 . . 499 . . 64 ILE HD12 . 27396 1 798 . 1 1 64 64 ILE HD13 H 1 0.849 0.002 . 1 . . 499 . . 64 ILE HD13 . 27396 1 799 . 1 1 64 64 ILE C C 13 177.792 . . 1 . . 953 . . 64 ILE C . 27396 1 800 . 1 1 64 64 ILE CA C 13 62.986 0.049 . 1 . . 225 . . 64 ILE CA . 27396 1 801 . 1 1 64 64 ILE CB C 13 38.257 0.023 . 1 . . 226 . . 64 ILE CB . 27396 1 802 . 1 1 64 64 ILE CG1 C 13 28.190 0.026 . 1 . . 492 . . 64 ILE CG1 . 27396 1 803 . 1 1 64 64 ILE CG2 C 13 17.396 0.03 . 1 . . 494 . . 64 ILE CG2 . 27396 1 804 . 1 1 64 64 ILE CD1 C 13 12.312 0.024 . 1 . . 493 . . 64 ILE CD1 . 27396 1 805 . 1 1 64 64 ILE N N 15 118.047 0.043 . 1 . . 115 . . 64 ILE N . 27396 1 806 . 1 1 65 65 LEU H H 1 7.96 0.005 . 1 . . 52 . . 65 LEU H . 27396 1 807 . 1 1 65 65 LEU HA H 1 4.502 0.002 . 1 . . 415 . . 65 LEU HA . 27396 1 808 . 1 1 65 65 LEU HB2 H 1 1.603 0.004 . 2 . . 419 . . 65 LEU HB2 . 27396 1 809 . 1 1 65 65 LEU HB3 H 1 1.905 0.002 . 2 . . 420 . . 65 LEU HB3 . 27396 1 810 . 1 1 65 65 LEU HG H 1 1.757 0.003 . 1 . . 421 . . 65 LEU HG . 27396 1 811 . 1 1 65 65 LEU HD11 H 1 0.904 0.001 . 2 . . 422 . . 65 LEU HD11 . 27396 1 812 . 1 1 65 65 LEU HD12 H 1 0.904 0.001 . 2 . . 422 . . 65 LEU HD12 . 27396 1 813 . 1 1 65 65 LEU HD13 H 1 0.904 0.001 . 2 . . 422 . . 65 LEU HD13 . 27396 1 814 . 1 1 65 65 LEU HD21 H 1 0.93 0.001 . 2 . . 423 . . 65 LEU HD21 . 27396 1 815 . 1 1 65 65 LEU HD22 H 1 0.93 0.001 . 2 . . 423 . . 65 LEU HD22 . 27396 1 816 . 1 1 65 65 LEU HD23 H 1 0.93 0.001 . 2 . . 423 . . 65 LEU HD23 . 27396 1 817 . 1 1 65 65 LEU C C 13 178.396 . . 1 . . 954 . . 65 LEU C . 27396 1 818 . 1 1 65 65 LEU CA C 13 55.119 0.024 . 1 . . 224 . . 65 LEU CA . 27396 1 819 . 1 1 65 65 LEU CB C 13 43.120 0.022 . 1 . . 223 . . 65 LEU CB . 27396 1 820 . 1 1 65 65 LEU CG C 13 26.926 0.057 . 1 . . 418 . . 65 LEU CG . 27396 1 821 . 1 1 65 65 LEU CD1 C 13 22.645 0.012 . 2 . . 416 . . 65 LEU CD1 . 27396 1 822 . 1 1 65 65 LEU CD2 C 13 25.600 0.056 . 2 . . 417 . . 65 LEU CD2 . 27396 1 823 . 1 1 65 65 LEU N N 15 117.134 0.045 . 1 . . 53 . . 65 LEU N . 27396 1 824 . 1 1 66 66 GLY H H 1 7.614 0.005 . 1 . . 137 . . 66 GLY H . 27396 1 825 . 1 1 66 66 GLY HA2 H 1 3.967 0.003 . 2 . . 780 . . 66 GLY HA2 . 27396 1 826 . 1 1 66 66 GLY HA3 H 1 4.111 0.004 . 2 . . 781 . . 66 GLY HA3 . 27396 1 827 . 1 1 66 66 GLY C C 13 174.543 . . 1 . . 955 . . 66 GLY C . 27396 1 828 . 1 1 66 66 GLY CA C 13 46.240 0.033 . 1 . . 222 . . 66 GLY CA . 27396 1 829 . 1 1 66 66 GLY N N 15 107.752 0.025 . 1 . . 138 . . 66 GLY N . 27396 1 830 . 1 1 67 67 LYS H H 1 7.172 0.003 . 1 . . 37 . . 67 LYS H . 27396 1 831 . 1 1 67 67 LYS HA H 1 4.68 0.003 . 1 . . 624 . . 67 LYS HA . 27396 1 832 . 1 1 67 67 LYS HB2 H 1 1.61 0.002 . 2 . . 627 . . 67 LYS HB2 . 27396 1 833 . 1 1 67 67 LYS HB3 H 1 2.022 0.001 . 2 . . 629 . . 67 LYS HB3 . 27396 1 834 . 1 1 67 67 LYS HG2 H 1 1.349 0.001 . 2 . . 630 . . 67 LYS HG2 . 27396 1 835 . 1 1 67 67 LYS HG3 H 1 1.349 0.001 . 2 . . 631 . . 67 LYS HG3 . 27396 1 836 . 1 1 67 67 LYS HD2 H 1 1.608 0.001 . 2 . . 632 . . 67 LYS HD2 . 27396 1 837 . 1 1 67 67 LYS HD3 H 1 1.718 0.002 . 2 . . 633 . . 67 LYS HD3 . 27396 1 838 . 1 1 67 67 LYS HE2 H 1 2.973 0.0 . 2 . . 634 . . 67 LYS HE2 . 27396 1 839 . 1 1 67 67 LYS HE3 H 1 3.033 0.001 . 2 . . 635 . . 67 LYS HE3 . 27396 1 840 . 1 1 67 67 LYS C C 13 175.930 . . 1 . . 956 . . 67 LYS C . 27396 1 841 . 1 1 67 67 LYS CA C 13 55.032 0.043 . 1 . . 220 . . 67 LYS CA . 27396 1 842 . 1 1 67 67 LYS CB C 13 32.954 0.012 . 1 . . 221 . . 67 LYS CB . 27396 1 843 . 1 1 67 67 LYS CG C 13 24.422 0.021 . 1 . . 626 . . 67 LYS CG . 27396 1 844 . 1 1 67 67 LYS CD C 13 29.011 0.016 . 1 . . 628 . . 67 LYS CD . 27396 1 845 . 1 1 67 67 LYS CE C 13 42.396 0.025 . 1 . . 625 . . 67 LYS CE . 27396 1 846 . 1 1 67 67 LYS N N 15 119.037 0.04 . 1 . . 38 . . 67 LYS N . 27396 1 847 . 1 1 68 68 SER H H 1 8.525 0.003 . 1 . . 21 . . 68 SER H . 27396 1 848 . 1 1 68 68 SER HA H 1 4.496 0.005 . 1 . . 688 . . 68 SER HA . 27396 1 849 . 1 1 68 68 SER HB2 H 1 3.856 0.003 . 2 . . 686 . . 68 SER HB2 . 27396 1 850 . 1 1 68 68 SER HB3 H 1 4.089 0.006 . 2 . . 687 . . 68 SER HB3 . 27396 1 851 . 1 1 68 68 SER C C 13 176.112 . . 1 . . 957 . . 68 SER C . 27396 1 852 . 1 1 68 68 SER CA C 13 58.882 0.065 . 1 . . 218 . . 68 SER CA . 27396 1 853 . 1 1 68 68 SER CB C 13 64.354 0.051 . 1 . . 219 . . 68 SER CB . 27396 1 854 . 1 1 68 68 SER N N 15 116.434 0.033 . 1 . . 22 . . 68 SER N . 27396 1 855 . 1 1 69 69 GLY H H 1 9.043 0.001 . 1 . . 19 . . 69 GLY H . 27396 1 856 . 1 1 69 69 GLY HA2 H 1 3.816 0.005 . 2 . . 782 . . 69 GLY HA2 . 27396 1 857 . 1 1 69 69 GLY HA3 H 1 3.972 0.002 . 2 . . 783 . . 69 GLY HA3 . 27396 1 858 . 1 1 69 69 GLY C C 13 176.269 . . 1 . . 958 . . 69 GLY C . 27396 1 859 . 1 1 69 69 GLY CA C 13 47.799 0.036 . 1 . . 217 . . 69 GLY CA . 27396 1 860 . 1 1 69 69 GLY N N 15 113.568 0.017 . 1 . . 20 . . 69 GLY N . 27396 1 861 . 1 1 70 70 GLU H H 1 9.057 0.003 . 1 . . 165 . . 70 GLU H . 27396 1 862 . 1 1 70 70 GLU HA H 1 4.299 0.0 . 1 . . 802 . . 70 GLU HA . 27396 1 863 . 1 1 70 70 GLU HB2 H 1 1.643 0.001 . 2 . . 803 . . 70 GLU HB2 . 27396 1 864 . 1 1 70 70 GLU HB3 H 1 2.167 0.001 . 2 . . 804 . . 70 GLU HB3 . 27396 1 865 . 1 1 70 70 GLU HG2 H 1 2.29 0.005 . 2 . . 805 . . 70 GLU HG2 . 27396 1 866 . 1 1 70 70 GLU HG3 H 1 2.384 0.002 . 2 . . 806 . . 70 GLU HG3 . 27396 1 867 . 1 1 70 70 GLU C C 13 178.297 . . 1 . . 959 . . 70 GLU C . 27396 1 868 . 1 1 70 70 GLU CA C 13 60.916 0.055 . 1 . . 215 . . 70 GLU CA . 27396 1 869 . 1 1 70 70 GLU CB C 13 28.401 0.047 . 1 . . 216 . . 70 GLU CB . 27396 1 870 . 1 1 70 70 GLU CG C 13 37.167 0.031 . 1 . . 801 . . 70 GLU CG . 27396 1 871 . 1 1 70 70 GLU N N 15 120.695 0.038 . 1 . . 166 . . 70 GLU N . 27396 1 872 . 1 1 71 71 LEU H H 1 7.648 0.003 . 1 . . 35 . . 71 LEU H . 27396 1 873 . 1 1 71 71 LEU HA H 1 4.222 0.004 . 1 . . 424 . . 71 LEU HA . 27396 1 874 . 1 1 71 71 LEU HB2 H 1 1.492 0.003 . 2 . . 427 . . 71 LEU HB2 . 27396 1 875 . 1 1 71 71 LEU HB3 H 1 1.979 0.003 . 2 . . 428 . . 71 LEU HB3 . 27396 1 876 . 1 1 71 71 LEU HG H 1 1.657 0.005 . 1 . . 429 . . 71 LEU HG . 27396 1 877 . 1 1 71 71 LEU HD11 H 1 0.967 0.006 . 2 . . 430 . . 71 LEU HD11 . 27396 1 878 . 1 1 71 71 LEU HD12 H 1 0.967 0.006 . 2 . . 430 . . 71 LEU HD12 . 27396 1 879 . 1 1 71 71 LEU HD13 H 1 0.967 0.006 . 2 . . 430 . . 71 LEU HD13 . 27396 1 880 . 1 1 71 71 LEU HD21 H 1 1.039 0.0 . 2 . . 431 . . 71 LEU HD21 . 27396 1 881 . 1 1 71 71 LEU HD22 H 1 1.039 0.0 . 2 . . 431 . . 71 LEU HD22 . 27396 1 882 . 1 1 71 71 LEU HD23 H 1 1.039 0.0 . 2 . . 431 . . 71 LEU HD23 . 27396 1 883 . 1 1 71 71 LEU C C 13 178.898 . . 1 . . 960 . . 71 LEU C . 27396 1 884 . 1 1 71 71 LEU CA C 13 57.904 0.037 . 1 . . 213 . . 71 LEU CA . 27396 1 885 . 1 1 71 71 LEU CB C 13 41.660 0.051 . 1 . . 214 . . 71 LEU CB . 27396 1 886 . 1 1 71 71 LEU CG C 13 27.108 0.065 . 1 . . 426 . . 71 LEU CG . 27396 1 887 . 1 1 71 71 LEU CD1 C 13 26.269 0.026 . 2 . . 425 . . 71 LEU CD1 . 27396 1 888 . 1 1 71 71 LEU CD2 C 13 23.297 0.04 . 2 . . 432 . . 71 LEU CD2 . 27396 1 889 . 1 1 71 71 LEU N N 15 119.704 0.041 . 1 . . 36 . . 71 LEU N . 27396 1 890 . 1 1 72 72 LYS H H 1 7.938 0.004 . 1 . . 97 . . 72 LYS H . 27396 1 891 . 1 1 72 72 LYS HA H 1 4.075 0.002 . 1 . . 636 . . 72 LYS HA . 27396 1 892 . 1 1 72 72 LYS HB2 H 1 2.018 0.006 . 2 . . 638 . . 72 LYS HB2 . 27396 1 893 . 1 1 72 72 LYS HB3 H 1 2.018 0.006 . 2 . . 639 . . 72 LYS HB3 . 27396 1 894 . 1 1 72 72 LYS HG2 H 1 1.56 0.001 . 2 . . 643 . . 72 LYS HG2 . 27396 1 895 . 1 1 72 72 LYS HG3 H 1 1.396 0.001 . 2 . . 644 . . 72 LYS HG3 . 27396 1 896 . 1 1 72 72 LYS HD2 H 1 1.681 0.004 . 1 . . 885 . . 72 LYS HD2 . 27396 1 897 . 1 1 72 72 LYS HD3 H 1 1.681 0.004 . 1 . . 886 . . 72 LYS HD3 . 27396 1 898 . 1 1 72 72 LYS HE2 H 1 2.989 0.002 . 1 . . 645 . . 72 LYS HE2 . 27396 1 899 . 1 1 72 72 LYS HE3 H 1 2.989 0.002 . 1 . . 646 . . 72 LYS HE3 . 27396 1 900 . 1 1 72 72 LYS C C 13 179.747 . . 1 . . 961 . . 72 LYS C . 27396 1 901 . 1 1 72 72 LYS CA C 13 59.641 0.032 . 1 . . 212 . . 72 LYS CA . 27396 1 902 . 1 1 72 72 LYS CB C 13 31.667 0.055 . 1 . . 211 . . 72 LYS CB . 27396 1 903 . 1 1 72 72 LYS CG C 13 25.054 0.026 . 1 . . 640 . . 72 LYS CG . 27396 1 904 . 1 1 72 72 LYS CD C 13 29.276 0.018 . 1 . . 641 . . 72 LYS CD . 27396 1 905 . 1 1 72 72 LYS CE C 13 42.172 0.019 . 1 . . 642 . . 72 LYS CE . 27396 1 906 . 1 1 72 72 LYS N N 15 121.523 0.051 . 1 . . 98 . . 72 LYS N . 27396 1 907 . 1 1 73 73 THR H H 1 8.224 0.002 . 1 . . 85 . . 73 THR H . 27396 1 908 . 1 1 73 73 THR HA H 1 3.782 0.005 . 1 . . 704 . . 73 THR HA . 27396 1 909 . 1 1 73 73 THR HB H 1 4.265 0.003 . 1 . . 703 . . 73 THR HB . 27396 1 910 . 1 1 73 73 THR HG21 H 1 1.176 0.001 . 1 . . 652 . . 73 THR HG21 . 27396 1 911 . 1 1 73 73 THR HG22 H 1 1.176 0.001 . 1 . . 652 . . 73 THR HG22 . 27396 1 912 . 1 1 73 73 THR HG23 H 1 1.176 0.001 . 1 . . 652 . . 73 THR HG23 . 27396 1 913 . 1 1 73 73 THR C C 13 175.555 . . 1 . . 962 . . 73 THR C . 27396 1 914 . 1 1 73 73 THR CA C 13 66.941 0.035 . 1 . . 209 . . 73 THR CA . 27396 1 915 . 1 1 73 73 THR CB C 13 68.158 0.026 . 1 . . 210 . . 73 THR CB . 27396 1 916 . 1 1 73 73 THR CG2 C 13 23.333 0.004 . 1 . . 702 . . 73 THR CG2 . 27396 1 917 . 1 1 73 73 THR N N 15 117.560 0.043 . 1 . . 86 . . 73 THR N . 27396 1 918 . 1 1 74 74 TRP H H 1 8.665 0.002 . 1 . . 135 . . 74 TRP H . 27396 1 919 . 1 1 74 74 TRP HA H 1 4.624 0.001 . 1 . . 706 . . 74 TRP HA . 27396 1 920 . 1 1 74 74 TRP HB2 H 1 3.247 0.001 . 2 . . 709 . . 74 TRP HB2 . 27396 1 921 . 1 1 74 74 TRP HB3 H 1 3.278 0.002 . 2 . . 710 . . 74 TRP HB3 . 27396 1 922 . 1 1 74 74 TRP HD1 H 1 6.85 0.003 . 1 . . 347 . . 74 TRP HD1 . 27396 1 923 . 1 1 74 74 TRP HE1 H 1 10.298 0.005 . 1 . . 83 . . 74 TRP HE1 . 27396 1 924 . 1 1 74 74 TRP HE3 H 1 7.53 0.004 . 1 . . 570 . . 74 TRP HE3 . 27396 1 925 . 1 1 74 74 TRP HZ2 H 1 7.394 0.001 . 1 . . 508 . . 74 TRP HZ2 . 27396 1 926 . 1 1 74 74 TRP HZ3 H 1 6.626 0.003 . 1 . . 567 . . 74 TRP HZ3 . 27396 1 927 . 1 1 74 74 TRP HH2 H 1 6.845 0.001 . 1 . . 568 . . 74 TRP HH2 . 27396 1 928 . 1 1 74 74 TRP C C 13 175.927 . . 1 . . 963 . . 74 TRP C . 27396 1 929 . 1 1 74 74 TRP CA C 13 59.216 0.049 . 1 . . 207 . . 74 TRP CA . 27396 1 930 . 1 1 74 74 TRP CB C 13 30.896 0.064 . 1 . . 206 . . 74 TRP CB . 27396 1 931 . 1 1 74 74 TRP CD1 C 13 124.701 0.021 . 1 . . 348 . . 74 TRP CD1 . 27396 1 932 . 1 1 74 74 TRP CE3 C 13 121.932 0.122 . 1 . . 565 . . 74 TRP CE3 . 27396 1 933 . 1 1 74 74 TRP CZ2 C 13 115.262 0.08 . 1 . . 564 . . 74 TRP CZ2 . 27396 1 934 . 1 1 74 74 TRP CZ3 C 13 120.167 0.111 . 1 . . 566 . . 74 TRP CZ3 . 27396 1 935 . 1 1 74 74 TRP CH2 C 13 124.033 0.097 . 1 . . 569 . . 74 TRP CH2 . 27396 1 936 . 1 1 74 74 TRP N N 15 121.794 0.047 . 1 . . 136 . . 74 TRP N . 27396 1 937 . 1 1 74 74 TRP NE1 N 15 128.941 0.022 . 1 . . 84 . . 74 TRP NE1 . 27396 1 938 . 1 1 75 75 GLY H H 1 8.132 0.003 . 1 . . 15 . . 75 GLY H . 27396 1 939 . 1 1 75 75 GLY HA2 H 1 3.293 0.007 . 2 . . 784 . . 75 GLY HA2 . 27396 1 940 . 1 1 75 75 GLY HA3 H 1 3.813 0.001 . 2 . . 785 . . 75 GLY HA3 . 27396 1 941 . 1 1 75 75 GLY C C 13 177.151 . . 1 . . 964 . . 75 GLY C . 27396 1 942 . 1 1 75 75 GLY CA C 13 47.442 0.026 . 1 . . 208 . . 75 GLY CA . 27396 1 943 . 1 1 75 75 GLY N N 15 103.330 0.032 . 1 . . 16 . . 75 GLY N . 27396 1 944 . 1 1 76 76 LEU H H 1 7.168 0.003 . 1 . . 151 . . 76 LEU H . 27396 1 945 . 1 1 76 76 LEU HA H 1 4.113 0.002 . 1 . . 433 . . 76 LEU HA . 27396 1 946 . 1 1 76 76 LEU HB2 H 1 1.505 0.003 . 2 . . 437 . . 76 LEU HB2 . 27396 1 947 . 1 1 76 76 LEU HB3 H 1 2.031 0.001 . 2 . . 438 . . 76 LEU HB3 . 27396 1 948 . 1 1 76 76 LEU HG H 1 1.798 0.006 . 1 . . 439 . . 76 LEU HG . 27396 1 949 . 1 1 76 76 LEU HD11 H 1 0.935 0.001 . 2 . . 440 . . 76 LEU HD11 . 27396 1 950 . 1 1 76 76 LEU HD12 H 1 0.935 0.001 . 2 . . 440 . . 76 LEU HD12 . 27396 1 951 . 1 1 76 76 LEU HD13 H 1 0.935 0.001 . 2 . . 440 . . 76 LEU HD13 . 27396 1 952 . 1 1 76 76 LEU HD21 H 1 0.992 0.003 . 2 . . 441 . . 76 LEU HD21 . 27396 1 953 . 1 1 76 76 LEU HD22 H 1 0.992 0.003 . 2 . . 441 . . 76 LEU HD22 . 27396 1 954 . 1 1 76 76 LEU HD23 H 1 0.992 0.003 . 2 . . 441 . . 76 LEU HD23 . 27396 1 955 . 1 1 76 76 LEU C C 13 178.508 . . 1 . . 965 . . 76 LEU C . 27396 1 956 . 1 1 76 76 LEU CA C 13 57.464 0.019 . 1 . . 204 . . 76 LEU CA . 27396 1 957 . 1 1 76 76 LEU CB C 13 42.127 0.039 . 1 . . 205 . . 76 LEU CB . 27396 1 958 . 1 1 76 76 LEU CG C 13 27.101 0.068 . 1 . . 434 . . 76 LEU CG . 27396 1 959 . 1 1 76 76 LEU CD1 C 13 22.912 0.017 . 2 . . 435 . . 76 LEU CD1 . 27396 1 960 . 1 1 76 76 LEU CD2 C 13 26.145 0.047 . 2 . . 436 . . 76 LEU CD2 . 27396 1 961 . 1 1 76 76 LEU N N 15 121.353 0.026 . 1 . . 152 . . 76 LEU N . 27396 1 962 . 1 1 77 77 VAL H H 1 8.181 0.001 . 1 . . 39 . . 77 VAL H . 27396 1 963 . 1 1 77 77 VAL HA H 1 3.232 0.003 . 1 . . 532 . . 77 VAL HA . 27396 1 964 . 1 1 77 77 VAL HB H 1 2.016 0.003 . 1 . . 531 . . 77 VAL HB . 27396 1 965 . 1 1 77 77 VAL HG11 H 1 0.742 0.004 . 2 . . 534 . . 77 VAL HG11 . 27396 1 966 . 1 1 77 77 VAL HG12 H 1 0.742 0.004 . 2 . . 534 . . 77 VAL HG12 . 27396 1 967 . 1 1 77 77 VAL HG13 H 1 0.742 0.004 . 2 . . 534 . . 77 VAL HG13 . 27396 1 968 . 1 1 77 77 VAL HG21 H 1 0.901 0.0 . 2 . . 536 . . 77 VAL HG21 . 27396 1 969 . 1 1 77 77 VAL HG22 H 1 0.901 0.0 . 2 . . 536 . . 77 VAL HG22 . 27396 1 970 . 1 1 77 77 VAL HG23 H 1 0.901 0.0 . 2 . . 536 . . 77 VAL HG23 . 27396 1 971 . 1 1 77 77 VAL C C 13 176.469 . . 1 . . 966 . . 77 VAL C . 27396 1 972 . 1 1 77 77 VAL CA C 13 66.409 0.03 . 1 . . 189 . . 77 VAL CA . 27396 1 973 . 1 1 77 77 VAL CB C 13 31.649 0.047 . 1 . . 188 . . 77 VAL CB . 27396 1 974 . 1 1 77 77 VAL CG1 C 13 21.738 0.037 . 2 . . 533 . . 77 VAL CG1 . 27396 1 975 . 1 1 77 77 VAL CG2 C 13 23.784 0.03 . 2 . . 535 . . 77 VAL CG2 . 27396 1 976 . 1 1 77 77 VAL N N 15 120.538 0.053 . 1 . . 40 . . 77 VAL N . 27396 1 977 . 1 1 78 78 LEU H H 1 8.719 0.003 . 1 . . 3 . . 78 LEU H . 27396 1 978 . 1 1 78 78 LEU HA H 1 2.873 0.002 . 1 . . 346 . . 78 LEU HA . 27396 1 979 . 1 1 78 78 LEU HB2 H 1 -0.55 0.006 . 2 . . 338 . . 78 LEU HB2 . 27396 1 980 . 1 1 78 78 LEU HB3 H 1 0.752 0.002 . 2 . . 339 . . 78 LEU HB3 . 27396 1 981 . 1 1 78 78 LEU HG H 1 0.668 0.015 . 1 . . 341 . . 78 LEU HG . 27396 1 982 . 1 1 78 78 LEU HD11 H 1 -0.083 0.005 . 2 . . 344 . . 78 LEU HD11 . 27396 1 983 . 1 1 78 78 LEU HD12 H 1 -0.083 0.005 . 2 . . 344 . . 78 LEU HD12 . 27396 1 984 . 1 1 78 78 LEU HD13 H 1 -0.083 0.005 . 2 . . 344 . . 78 LEU HD13 . 27396 1 985 . 1 1 78 78 LEU HD21 H 1 0.465 0.002 . 2 . . 345 . . 78 LEU HD21 . 27396 1 986 . 1 1 78 78 LEU HD22 H 1 0.465 0.002 . 2 . . 345 . . 78 LEU HD22 . 27396 1 987 . 1 1 78 78 LEU HD23 H 1 0.465 0.002 . 2 . . 345 . . 78 LEU HD23 . 27396 1 988 . 1 1 78 78 LEU C C 13 178.373 . . 1 . . 967 . . 78 LEU C . 27396 1 989 . 1 1 78 78 LEU CA C 13 57.244 0.015 . 1 . . 184 . . 78 LEU CA . 27396 1 990 . 1 1 78 78 LEU CB C 13 39.448 0.022 . 1 . . 183 . . 78 LEU CB . 27396 1 991 . 1 1 78 78 LEU CG C 13 26.093 0.079 . 1 . . 340 . . 78 LEU CG . 27396 1 992 . 1 1 78 78 LEU CD1 C 13 22.175 0.025 . 2 . . 342 . . 78 LEU CD1 . 27396 1 993 . 1 1 78 78 LEU CD2 C 13 24.930 0.051 . 2 . . 343 . . 78 LEU CD2 . 27396 1 994 . 1 1 78 78 LEU N N 15 120.124 0.031 . 1 . . 4 . . 78 LEU N . 27396 1 995 . 1 1 79 79 GLY H H 1 7.038 0.005 . 1 . . 147 . . 79 GLY H . 27396 1 996 . 1 1 79 79 GLY HA2 H 1 3.37 0.006 . 2 . . 786 . . 79 GLY HA2 . 27396 1 997 . 1 1 79 79 GLY HA3 H 1 3.67 0.001 . 2 . . 787 . . 79 GLY HA3 . 27396 1 998 . 1 1 79 79 GLY C C 13 176.110 . . 1 . . 969 . . 79 GLY C . 27396 1 999 . 1 1 79 79 GLY CA C 13 46.898 0.037 . 1 . . 185 . . 79 GLY CA . 27396 1 1000 . 1 1 79 79 GLY N N 15 102.352 0.026 . 1 . . 148 . . 79 GLY N . 27396 1 1001 . 1 1 80 80 ALA H H 1 7.375 0.004 . 1 . . 145 . . 80 ALA H . 27396 1 1002 . 1 1 80 80 ALA HA H 1 3.683 0.002 . 1 . . 513 . . 80 ALA HA . 27396 1 1003 . 1 1 80 80 ALA HB1 H 1 1.471 0.003 . 1 . . 514 . . 80 ALA HB1 . 27396 1 1004 . 1 1 80 80 ALA HB2 H 1 1.471 0.003 . 1 . . 514 . . 80 ALA HB2 . 27396 1 1005 . 1 1 80 80 ALA HB3 H 1 1.471 0.003 . 1 . . 514 . . 80 ALA HB3 . 27396 1 1006 . 1 1 80 80 ALA C C 13 179.186 . . 1 . . 968 . . 80 ALA C . 27396 1 1007 . 1 1 80 80 ALA CA C 13 54.836 0.028 . 1 . . 186 . . 80 ALA CA . 27396 1 1008 . 1 1 80 80 ALA CB C 13 19.378 0.023 . 1 . . 187 . . 80 ALA CB . 27396 1 1009 . 1 1 80 80 ALA N N 15 124.528 0.028 . 1 . . 146 . . 80 ALA N . 27396 1 1010 . 1 1 81 81 LEU H H 1 8.442 0.001 . 1 . . 5 . . 81 LEU H . 27396 1 1011 . 1 1 81 81 LEU HA H 1 3.861 0.002 . 1 . . 442 . . 81 LEU HA . 27396 1 1012 . 1 1 81 81 LEU HB2 H 1 1.274 0.003 . 2 . . 443 . . 81 LEU HB2 . 27396 1 1013 . 1 1 81 81 LEU HB3 H 1 1.314 0.002 . 2 . . 444 . . 81 LEU HB3 . 27396 1 1014 . 1 1 81 81 LEU HG H 1 1.691 0.002 . 1 . . 445 . . 81 LEU HG . 27396 1 1015 . 1 1 81 81 LEU HD11 H 1 0.755 0.001 . 2 . . 448 . . 81 LEU HD11 . 27396 1 1016 . 1 1 81 81 LEU HD12 H 1 0.755 0.001 . 2 . . 448 . . 81 LEU HD12 . 27396 1 1017 . 1 1 81 81 LEU HD13 H 1 0.755 0.001 . 2 . . 448 . . 81 LEU HD13 . 27396 1 1018 . 1 1 81 81 LEU HD21 H 1 0.632 0.001 . 2 . . 450 . . 81 LEU HD21 . 27396 1 1019 . 1 1 81 81 LEU HD22 H 1 0.632 0.001 . 2 . . 450 . . 81 LEU HD22 . 27396 1 1020 . 1 1 81 81 LEU HD23 H 1 0.632 0.001 . 2 . . 450 . . 81 LEU HD23 . 27396 1 1021 . 1 1 81 81 LEU C C 13 180.428 . . 1 . . 970 . . 81 LEU C . 27396 1 1022 . 1 1 81 81 LEU CA C 13 57.604 0.045 . 1 . . 191 . . 81 LEU CA . 27396 1 1023 . 1 1 81 81 LEU CB C 13 41.206 0.036 . 1 . . 190 . . 81 LEU CB . 27396 1 1024 . 1 1 81 81 LEU CG C 13 26.269 0.008 . 1 . . 446 . . 81 LEU CG . 27396 1 1025 . 1 1 81 81 LEU CD1 C 13 21.770 0.021 . 2 . . 447 . . 81 LEU CD1 . 27396 1 1026 . 1 1 81 81 LEU CD2 C 13 25.854 0.03 . 2 . . 449 . . 81 LEU CD2 . 27396 1 1027 . 1 1 81 81 LEU N N 15 118.875 0.024 . 1 . . 6 . . 81 LEU N . 27396 1 1028 . 1 1 82 82 LYS H H 1 8.063 0.003 . 1 . . 46 . . 82 LYS H . 27396 1 1029 . 1 1 82 82 LYS HA H 1 3.872 0.005 . 1 . . 637 . . 82 LYS HA . 27396 1 1030 . 1 1 82 82 LYS HB2 H 1 1.56 0.007 . 2 . . 650 . . 82 LYS HB2 . 27396 1 1031 . 1 1 82 82 LYS HB3 H 1 1.701 0.002 . 2 . . 651 . . 82 LYS HB3 . 27396 1 1032 . 1 1 82 82 LYS HG2 H 1 1.259 0.003 . 2 . . 653 . . 82 LYS HG2 . 27396 1 1033 . 1 1 82 82 LYS HG3 H 1 1.292 0.004 . 2 . . 654 . . 82 LYS HG3 . 27396 1 1034 . 1 1 82 82 LYS HD2 H 1 1.507 0.001 . 2 . . 655 . . 82 LYS HD2 . 27396 1 1035 . 1 1 82 82 LYS HD3 H 1 1.507 0.001 . 2 . . 656 . . 82 LYS HD3 . 27396 1 1036 . 1 1 82 82 LYS HE2 H 1 2.757 0.004 . 2 . . 657 . . 82 LYS HE2 . 27396 1 1037 . 1 1 82 82 LYS HE3 H 1 2.967 0.005 . 2 . . 658 . . 82 LYS HE3 . 27396 1 1038 . 1 1 82 82 LYS C C 13 179.193 . . 1 . . 971 . . 82 LYS C . 27396 1 1039 . 1 1 82 82 LYS CA C 13 59.902 0.041 . 1 . . 192 . . 82 LYS CA . 27396 1 1040 . 1 1 82 82 LYS CB C 13 32.690 0.028 . 1 . . 193 . . 82 LYS CB . 27396 1 1041 . 1 1 82 82 LYS CG C 13 26.476 0.033 . 1 . . 649 . . 82 LYS CG . 27396 1 1042 . 1 1 82 82 LYS CD C 13 29.828 0.035 . 1 . . 648 . . 82 LYS CD . 27396 1 1043 . 1 1 82 82 LYS CE C 13 42.058 0.022 . 1 . . 647 . . 82 LYS CE . 27396 1 1044 . 1 1 82 82 LYS N N 15 118.088 0.052 . 1 . . 47 . . 82 LYS N . 27396 1 1045 . 1 1 83 83 ALA H H 1 7.341 0.001 . 1 . . 60 . . 83 ALA H . 27396 1 1046 . 1 1 83 83 ALA HA H 1 3.944 0.003 . 1 . . 516 . . 83 ALA HA . 27396 1 1047 . 1 1 83 83 ALA HB1 H 1 0.939 0.002 . 1 . . 515 . . 83 ALA HB1 . 27396 1 1048 . 1 1 83 83 ALA HB2 H 1 0.939 0.002 . 1 . . 515 . . 83 ALA HB2 . 27396 1 1049 . 1 1 83 83 ALA HB3 H 1 0.939 0.002 . 1 . . 515 . . 83 ALA HB3 . 27396 1 1050 . 1 1 83 83 ALA C C 13 179.458 . . 1 . . 972 . . 83 ALA C . 27396 1 1051 . 1 1 83 83 ALA CA C 13 54.213 0.018 . 1 . . 194 . . 83 ALA CA . 27396 1 1052 . 1 1 83 83 ALA CB C 13 17.857 0.06 . 1 . . 195 . . 83 ALA CB . 27396 1 1053 . 1 1 83 83 ALA N N 15 121.448 0.039 . 1 . . 61 . . 83 ALA N . 27396 1 1054 . 1 1 84 84 ALA H H 1 7.663 0.003 . 1 . . 143 . . 84 ALA H . 27396 1 1055 . 1 1 84 84 ALA HA H 1 4.147 0.004 . 1 . . 517 . . 84 ALA HA . 27396 1 1056 . 1 1 84 84 ALA HB1 H 1 1.486 0.002 . 1 . . 518 . . 84 ALA HB1 . 27396 1 1057 . 1 1 84 84 ALA HB2 H 1 1.486 0.002 . 1 . . 518 . . 84 ALA HB2 . 27396 1 1058 . 1 1 84 84 ALA HB3 H 1 1.486 0.002 . 1 . . 518 . . 84 ALA HB3 . 27396 1 1059 . 1 1 84 84 ALA C C 13 178.686 . . 1 . . 973 . . 84 ALA C . 27396 1 1060 . 1 1 84 84 ALA CA C 13 53.434 0.028 . 1 . . 196 . . 84 ALA CA . 27396 1 1061 . 1 1 84 84 ALA CB C 13 18.553 0.047 . 1 . . 197 . . 84 ALA CB . 27396 1 1062 . 1 1 84 84 ALA N N 15 119.388 0.052 . 1 . . 144 . . 84 ALA N . 27396 1 1063 . 1 1 85 85 ARG H H 1 7.46 0.004 . 1 . . 9 . . 85 ARG H . 27396 1 1064 . 1 1 85 85 ARG HA H 1 4.333 0.003 . 1 . . 843 . . 85 ARG HA . 27396 1 1065 . 1 1 85 85 ARG HB2 H 1 2.003 0.001 . 2 . . 840 . . 85 ARG HB2 . 27396 1 1066 . 1 1 85 85 ARG HB3 H 1 2.08 0.001 . 2 . . 842 . . 85 ARG HB3 . 27396 1 1067 . 1 1 85 85 ARG HG2 H 1 1.853 0.002 . 2 . . 844 . . 85 ARG HG2 . 27396 1 1068 . 1 1 85 85 ARG HG3 H 1 1.905 0.001 . 2 . . 845 . . 85 ARG HG3 . 27396 1 1069 . 1 1 85 85 ARG HD2 H 1 3.365 0.002 . 2 . . 846 . . 85 ARG HD2 . 27396 1 1070 . 1 1 85 85 ARG HD3 H 1 3.448 0.001 . 2 . . 848 . . 85 ARG HD3 . 27396 1 1071 . 1 1 85 85 ARG HE H 1 7.554 0.002 . 1 . . 860 . . 85 ARG HE . 27396 1 1072 . 1 1 85 85 ARG C C 13 176.436 . . 1 . . 974 . . 85 ARG C . 27396 1 1073 . 1 1 85 85 ARG CA C 13 56.671 0.017 . 1 . . 198 . . 85 ARG CA . 27396 1 1074 . 1 1 85 85 ARG CB C 13 30.865 0.019 . 1 . . 199 . . 85 ARG CB . 27396 1 1075 . 1 1 85 85 ARG CG C 13 27.364 0.03 . 1 . . 841 . . 85 ARG CG . 27396 1 1076 . 1 1 85 85 ARG CD C 13 43.709 0.031 . 1 . . 847 . . 85 ARG CD . 27396 1 1077 . 1 1 85 85 ARG CZ C 13 159.694 . . 1 . . 861 . . 85 ARG CZ . 27396 1 1078 . 1 1 85 85 ARG N N 15 116.879 0.027 . 1 . . 10 . . 85 ARG N . 27396 1 1079 . 1 1 85 85 ARG NE N 15 84.327 0.055 . 1 . . 109 . . 85 ARG NE . 27396 1 1080 . 1 1 86 86 GLU H H 1 7.884 0.002 . 1 . . 48 . . 86 GLU H . 27396 1 1081 . 1 1 86 86 GLU HA H 1 4.322 0.005 . 1 . . 812 . . 86 GLU HA . 27396 1 1082 . 1 1 86 86 GLU HB2 H 1 1.982 0.001 . 2 . . 807 . . 86 GLU HB2 . 27396 1 1083 . 1 1 86 86 GLU HB3 H 1 2.159 0.0 . 2 . . 808 . . 86 GLU HB3 . 27396 1 1084 . 1 1 86 86 GLU HG2 H 1 2.296 0.002 . 2 . . 810 . . 86 GLU HG2 . 27396 1 1085 . 1 1 86 86 GLU HG3 H 1 2.385 0.0 . 2 . . 811 . . 86 GLU HG3 . 27396 1 1086 . 1 1 86 86 GLU C C 13 175.608 . . 1 . . 975 . . 86 GLU C . 27396 1 1087 . 1 1 86 86 GLU CA C 13 56.534 0.026 . 1 . . 201 . . 86 GLU CA . 27396 1 1088 . 1 1 86 86 GLU CB C 13 30.124 0.041 . 1 . . 200 . . 86 GLU CB . 27396 1 1089 . 1 1 86 86 GLU CG C 13 36.199 0.028 . 1 . . 809 . . 86 GLU CG . 27396 1 1090 . 1 1 86 86 GLU N N 15 120.500 0.032 . 1 . . 49 . . 86 GLU N . 27396 1 1091 . 1 1 87 87 GLU H H 1 7.775 0.004 . 1 . . 155 . . 87 GLU H . 27396 1 1092 . 1 1 87 87 GLU HA H 1 4.115 0.003 . 1 . . 814 . . 87 GLU HA . 27396 1 1093 . 1 1 87 87 GLU HB2 H 1 1.941 0.001 . 2 . . 815 . . 87 GLU HB2 . 27396 1 1094 . 1 1 87 87 GLU HB3 H 1 2.077 0.001 . 2 . . 816 . . 87 GLU HB3 . 27396 1 1095 . 1 1 87 87 GLU HG2 H 1 2.291 0.001 . 1 . . 817 . . 87 GLU HG2 . 27396 1 1096 . 1 1 87 87 GLU HG3 H 1 2.291 0.001 . 1 . . 818 . . 87 GLU HG3 . 27396 1 1097 . 1 1 87 87 GLU C C 13 181.169 . . 1 . . 472 . . 87 GLU C . 27396 1 1098 . 1 1 87 87 GLU CA C 13 58.222 0.026 . 1 . . 203 . . 87 GLU CA . 27396 1 1099 . 1 1 87 87 GLU CB C 13 31.119 0.026 . 1 . . 202 . . 87 GLU CB . 27396 1 1100 . 1 1 87 87 GLU CG C 13 36.567 0.033 . 1 . . 813 . . 87 GLU CG . 27396 1 1101 . 1 1 87 87 GLU N N 15 126.284 0.047 . 1 . . 156 . . 87 GLU N . 27396 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list _Spectral_peak_list.Entry_ID 27396 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $15N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC/HMQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . 3857.01171875 . . . . . . . 27396 1 2 . . N 15 15N . . 1418.81396484 . . . . . . . 27396 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 48935292.00 . height 27396 1 1 351982430.00 . volume 27396 1 2 25428842.00 . height 27396 1 2 191035799.00 . volume 27396 1 3 10278410.00 . height 27396 1 3 80753928.00 . volume 27396 1 4 25969066.00 . height 27396 1 4 193235971.00 . volume 27396 1 5 25546782.00 . height 27396 1 5 189040380.00 . volume 27396 1 6 21981400.00 . height 27396 1 6 163253804.00 . volume 27396 1 7 14788040.00 . height 27396 1 7 112350104.00 . volume 27396 1 8 27762940.00 . height 27396 1 8 206244746.00 . volume 27396 1 9 19616910.00 . height 27396 1 9 150818378.00 . volume 27396 1 10 25041046.00 . height 27396 1 10 187704600.00 . volume 27396 1 11 22929934.00 . height 27396 1 11 171214843.00 . volume 27396 1 12 18812218.00 . height 27396 1 12 142978728.00 . volume 27396 1 13 19258238.00 . height 27396 1 13 145540486.00 . volume 27396 1 14 22308212.00 . height 27396 1 14 170435810.00 . volume 27396 1 15 28205362.00 . height 27396 1 15 208967206.00 . volume 27396 1 16 24535514.00 . height 27396 1 16 183103168.00 . volume 27396 1 17 21212000.00 . height 27396 1 17 161643457.00 . volume 27396 1 18 4093916.25 . height 27396 1 18 33724913.50 . volume 27396 1 19 25898204.00 . height 27396 1 19 193416308.00 . volume 27396 1 20 23683882.00 . height 27396 1 20 176175828.00 . volume 27396 1 21 23365222.00 . height 27396 1 21 174812488.00 . volume 27396 1 22 19078186.00 . height 27396 1 22 143988349.00 . volume 27396 1 23 32360692.00 . height 27396 1 23 241694292.00 . volume 27396 1 24 23235036.00 . height 27396 1 24 178730358.00 . volume 27396 1 25 29963556.00 . height 27396 1 25 226846734.00 . volume 27396 1 26 20559770.00 . height 27396 1 26 155401659.00 . volume 27396 1 27 19874204.00 . height 27396 1 27 149190575.00 . volume 27396 1 28 22948638.00 . height 27396 1 28 174136325.00 . volume 27396 1 29 35591348.00 . height 27396 1 29 269653004.00 . volume 27396 1 30 17091222.00 . height 27396 1 30 130001297.00 . volume 27396 1 31 11130234.00 . height 27396 1 31 88102492.00 . volume 27396 1 32 21407738.00 . height 27396 1 32 162022251.00 . volume 27396 1 33 20388078.00 . height 27396 1 33 155189144.00 . volume 27396 1 34 23155068.00 . height 27396 1 34 175940361.00 . volume 27396 1 35 22977052.00 . height 27396 1 35 173660643.00 . volume 27396 1 36 21107322.00 . height 27396 1 36 160192508.00 . volume 27396 1 37 27363356.00 . height 27396 1 37 201091799.00 . volume 27396 1 38 24948316.00 . height 27396 1 38 188572775.00 . volume 27396 1 39 20528030.00 . height 27396 1 39 155390988.00 . volume 27396 1 40 19902922.00 . height 27396 1 40 153360859.00 . volume 27396 1 41 25529314.00 . height 27396 1 41 193691156.00 . volume 27396 1 42 22248218.00 . height 27396 1 42 166406891.00 . volume 27396 1 43 22924712.00 . height 27396 1 43 174666064.00 . volume 27396 1 44 23169252.00 . height 27396 1 44 175210782.00 . volume 27396 1 45 21731980.00 . height 27396 1 45 164304321.00 . volume 27396 1 46 23671032.00 . height 27396 1 46 179619710.00 . volume 27396 1 47 24620898.00 . height 27396 1 47 183081748.00 . volume 27396 1 48 24001290.00 . height 27396 1 48 182220990.00 . volume 27396 1 49 23011172.00 . height 27396 1 49 171083172.00 . volume 27396 1 50 19474856.00 . height 27396 1 50 148144812.00 . volume 27396 1 51 26649342.00 . height 27396 1 51 200573638.00 . volume 27396 1 52 22217032.00 . height 27396 1 52 166924916.00 . volume 27396 1 53 25352388.00 . height 27396 1 53 190785635.00 . volume 27396 1 54 22645956.00 . height 27396 1 54 173568235.00 . volume 27396 1 55 20770398.00 . height 27396 1 55 159021258.00 . volume 27396 1 56 26953644.00 . height 27396 1 56 202854210.00 . volume 27396 1 57 24908212.00 . height 27396 1 57 187948317.00 . volume 27396 1 58 23653362.00 . height 27396 1 58 177416732.00 . volume 27396 1 59 30674680.00 . height 27396 1 59 227373796.00 . volume 27396 1 60 13059901.00 . height 27396 1 60 102907360.00 . volume 27396 1 61 22889688.00 . height 27396 1 61 173378487.00 . volume 27396 1 62 18490122.00 . height 27396 1 62 141896672.00 . volume 27396 1 63 24772152.00 . height 27396 1 63 183582887.00 . volume 27396 1 64 16249254.00 . height 27396 1 64 126117558.00 . volume 27396 1 65 21172140.00 . height 27396 1 65 160674849.00 . volume 27396 1 66 26159852.00 . height 27396 1 66 196196294.00 . volume 27396 1 67 23351408.00 . height 27396 1 67 177986464.00 . volume 27396 1 68 24219712.00 . height 27396 1 68 181491022.00 . volume 27396 1 69 23560518.00 . height 27396 1 69 178572300.00 . volume 27396 1 70 29213214.00 . height 27396 1 70 220462372.00 . volume 27396 1 71 29604910.00 . height 27396 1 71 221691260.00 . volume 27396 1 72 10874049.00 . height 27396 1 72 86327022.00 . volume 27396 1 73 21924100.00 . height 27396 1 73 166870023.00 . volume 27396 1 74 67518832.00 . height 27396 1 74 448956900.00 . volume 27396 1 75 61593688.00 . height 27396 1 75 441311768.00 . volume 27396 1 76 40970692.00 . height 27396 1 76 283337240.00 . volume 27396 1 77 43331500.00 . height 27396 1 77 315594790.00 . volume 27396 1 78 21739598.00 . height 27396 1 78 167301133.00 . volume 27396 1 79 25705984.00 . height 27396 1 79 193075295.00 . volume 27396 1 80 26252532.00 . height 27396 1 80 196350338.00 . volume 27396 1 81 20582384.00 . height 27396 1 81 156821089.00 . volume 27396 1 82 20990722.00 . height 27396 1 82 161385384.00 . volume 27396 1 83 -22723000.00 . height 27396 1 83 -172726770.00 . volume 27396 1 84 -19665964.00 . height 27396 1 84 -150888374.00 . volume 27396 1 85 -18237306.00 . height 27396 1 85 -138233316.00 . volume 27396 1 86 -16608413.00 . height 27396 1 86 -128322869.00 . volume 27396 1 87 -22228804.00 . height 27396 1 87 -170236137.00 . volume 27396 1 88 -23979946.00 . height 27396 1 88 -183434570.00 . volume 27396 1 89 2310736.75 . height 27396 1 89 18928443.25 . volume 27396 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 7.767 . 18.6865578116 . . . . . . . . . . . 27396 1 1 2 126.295 . 12.0972164443 . . . . . . . . . . . 27396 1 2 1 8.307 . 21.8096973279 . . . . . . . . . . . 27396 1 2 2 124.993 . 13.7235312039 . . . . . . . . . . . 27396 1 3 1 7.831 . 28.1512999693 . . . . . . . . . . . 27396 1 3 2 84.852 . 14.5833859223 . . . . . . . . . . . 27396 1 4 1 8.053 . 20.5520204867 . . . . . . . . . . . 27396 1 4 2 124.789 . 13.7003067437 . . . . . . . . . . . 27396 1 5 1 8.197 . 20.1071769792 . . . . . . . . . . . 27396 1 5 2 124.481 . 14.2633069828 . . . . . . . . . . . 27396 1 6 1 7.368 . 20.9666547060 . . . . . . . . . . . 27396 1 6 2 124.488 . 13.8113866835 . . . . . . . . . . . 27396 1 7 1 7.549 . 23.3037266310 . . . . . . . . . . . 27396 1 7 2 84.334 . 14.3018065203 . . . . . . . . . . . 27396 1 8 1 8.503 . 20.8804095362 . . . . . . . . . . . 27396 1 8 2 123.837 . 13.7945682419 . . . . . . . . . . . 27396 1 9 1 9.037 . 23.9476696957 . . . . . . . . . . . 27396 1 9 2 123.309 . 14.4640288991 . . . . . . . . . . . 27396 1 10 1 8.347 . 21.3542101334 . . . . . . . . . . . 27396 1 10 2 123.194 . 13.8465775018 . . . . . . . . . . . 27396 1 11 1 7.599 . 21.1546410018 . . . . . . . . . . . 27396 1 11 2 122.962 . 13.8350762671 . . . . . . . . . . . 27396 1 12 1 8.468 . 22.1646955950 . . . . . . . . . . . 27396 1 12 2 122.476 . 15.3173613180 . . . . . . . . . . . 27396 1 13 1 7.242 . 22.8582570242 . . . . . . . . . . . 27396 1 13 2 122.328 . 13.7869359887 . . . . . . . . . . . 27396 1 14 1 8.662 . 23.3029440069 . . . . . . . . . . . 27396 1 14 2 122.112 . 14.6204160925 . . . . . . . . . . . 27396 1 15 1 7.895 . 20.3115983799 . . . . . . . . . . . 27396 1 15 2 122.086 . 14.0982092954 . . . . . . . . . . . 27396 1 16 1 8.425 . 21.4122808376 . . . . . . . . . . . 27396 1 16 2 121.833 . 13.7936168530 . . . . . . . . . . . 27396 1 17 1 8.660 . 23.0927311883 . . . . . . . . . . . 27396 1 17 2 121.769 . 14.4007298241 . . . . . . . . . . . 27396 1 18 1 9.105 . 42.0898342212 . . . . . . . . . . . 27396 1 18 2 121.488 . 16.7038520775 . . . . . . . . . . . 27396 1 19 1 7.932 . 20.7733465668 . . . . . . . . . . . 27396 1 19 2 121.500 . 14.7319400138 . . . . . . . . . . . 27396 1 20 1 7.333 . 21.2437036182 . . . . . . . . . . . 27396 1 20 2 121.410 . 13.6539106783 . . . . . . . . . . . 27396 1 21 1 7.660 . 21.4575165074 . . . . . . . . . . . 27396 1 21 2 121.358 . 13.8407634586 . . . . . . . . . . . 27396 1 22 1 7.160 . 22.0446410664 . . . . . . . . . . . 27396 1 22 2 121.307 . 13.9165785830 . . . . . . . . . . . 27396 1 23 1 7.962 . 21.0630739884 . . . . . . . . . . . 27396 1 23 2 121.203 . 14.2676199458 . . . . . . . . . . . 27396 1 24 1 7.869 . 23.4442859095 . . . . . . . . . . . 27396 1 24 2 121.184 . 14.6128261233 . . . . . . . . . . . 27396 1 25 1 7.887 . 21.2147465285 . . . . . . . . . . . 27396 1 25 2 120.697 . 27.8623330924 . . . . . . . . . . . 27396 1 26 1 9.050 . 22.6325482495 . . . . . . . . . . . 27396 1 26 2 120.674 . 13.8895591382 . . . . . . . . . . . 27396 1 27 1 8.174 . 21.9255256867 . . . . . . . . . . . 27396 1 27 2 120.516 . 14.0567498812 . . . . . . . . . . . 27396 1 28 1 7.999 . 22.3439165015 . . . . . . . . . . . 27396 1 28 2 120.517 . 14.7325742731 . . . . . . . . . . . 27396 1 29 1 7.879 . 20.2965719982 . . . . . . . . . . . 27396 1 29 2 120.500 . 26.1130460317 . . . . . . . . . . . 27396 1 30 1 9.309 . 24.0303930573 . . . . . . . . . . . 27396 1 30 2 120.146 . 13.9210606819 . . . . . . . . . . . 27396 1 31 1 8.308 . 28.9774379118 . . . . . . . . . . . 27396 1 31 2 120.162 . 15.3025619351 . . . . . . . . . . . 27396 1 32 1 8.714 . 22.3556558621 . . . . . . . . . . . 27396 1 32 2 120.064 . 14.4531196397 . . . . . . . . . . . 27396 1 33 1 8.626 . 22.8040994403 . . . . . . . . . . . 27396 1 33 2 119.923 . 14.7547310635 . . . . . . . . . . . 27396 1 34 1 7.830 . 22.4924585453 . . . . . . . . . . . 27396 1 34 2 119.744 . 14.2426301307 . . . . . . . . . . . 27396 1 35 1 7.640 . 22.2601757286 . . . . . . . . . . . 27396 1 35 2 119.670 . 14.4711326029 . . . . . . . . . . . 27396 1 36 1 8.183 . 22.4816583335 . . . . . . . . . . . 27396 1 36 2 119.485 . 14.4992091465 . . . . . . . . . . . 27396 1 37 1 7.654 . 19.6217935461 . . . . . . . . . . . 27396 1 37 2 119.359 . 13.9637674726 . . . . . . . . . . . 27396 1 38 1 7.824 . 21.9721700798 . . . . . . . . . . . 27396 1 38 2 119.245 . 14.3879177869 . . . . . . . . . . . 27396 1 39 1 7.406 . 23.2074638734 . . . . . . . . . . . 27396 1 39 2 118.989 . 13.7138270371 . . . . . . . . . . . 27396 1 40 1 7.162 . 25.7467658517 . . . . . . . . . . . 27396 1 40 2 119.002 . 13.4269727122 . . . . . . . . . . . 27396 1 41 1 8.573 . 22.3872738736 . . . . . . . . . . . 27396 1 41 2 118.948 . 14.0411471032 . . . . . . . . . . . 27396 1 42 1 8.435 . 21.1397711449 . . . . . . . . . . . 27396 1 42 2 118.823 . 13.9244433980 . . . . . . . . . . . 27396 1 43 1 7.879 . 22.7068975338 . . . . . . . . . . . 27396 1 43 2 118.796 . 14.1369202527 . . . . . . . . . . . 27396 1 44 1 7.706 . 22.7378894460 . . . . . . . . . . . 27396 1 44 2 118.778 . 13.9097708669 . . . . . . . . . . . 27396 1 45 1 8.905 . 22.2875675702 . . . . . . . . . . . 27396 1 45 2 118.415 . 14.1433896972 . . . . . . . . . . . 27396 1 46 1 8.645 . 22.6500790281 . . . . . . . . . . . 27396 1 46 2 118.050 . 14.0875325977 . . . . . . . . . . . 27396 1 47 1 8.057 . 20.8913662728 . . . . . . . . . . . 27396 1 47 2 118.057 . 13.9771714851 . . . . . . . . . . . 27396 1 48 1 8.210 . 23.4037459840 . . . . . . . . . . . 27396 1 48 2 118.013 . 13.8052872235 . . . . . . . . . . . 27396 1 49 1 7.464 . 20.6731706889 . . . . . . . . . . . 27396 1 49 2 117.910 . 14.3513844531 . . . . . . . . . . . 27396 1 50 1 7.981 . 21.9078383833 . . . . . . . . . . . 27396 1 50 2 117.763 . 14.6600572968 . . . . . . . . . . . 27396 1 51 1 8.107 . 21.9817180932 . . . . . . . . . . . 27396 1 51 2 117.655 . 14.1849125373 . . . . . . . . . . . 27396 1 52 1 8.219 . 21.2523124827 . . . . . . . . . . . 27396 1 52 2 117.525 . 14.8115606939 . . . . . . . . . . . 27396 1 53 1 8.496 . 21.3790975781 . . . . . . . . . . . 27396 1 53 2 117.523 . 14.8348168670 . . . . . . . . . . . 27396 1 54 1 8.779 . 24.3133116498 . . . . . . . . . . . 27396 1 54 2 117.476 . 14.0345508069 . . . . . . . . . . . 27396 1 55 1 7.956 . 22.7139411502 . . . . . . . . . . . 27396 1 55 2 117.102 . 14.8105035951 . . . . . . . . . . . 27396 1 56 1 7.451 . 21.0746568243 . . . . . . . . . . . 27396 1 56 2 116.861 . 13.6302316656 . . . . . . . . . . . 27396 1 57 1 8.134 . 21.3349575819 . . . . . . . . . . . 27396 1 57 2 116.619 . 14.6539261239 . . . . . . . . . . . 27396 1 58 1 8.707 . 21.4442118986 . . . . . . . . . . . 27396 1 58 2 116.476 . 13.9915903124 . . . . . . . . . . . 27396 1 59 1 7.863 . 20.3845389409 . . . . . . . . . . . 27396 1 59 2 116.481 . 13.6580545055 . . . . . . . . . . . 27396 1 60 1 8.520 . 27.5525925744 . . . . . . . . . . . 27396 1 60 2 116.407 . 15.3641273680 . . . . . . . . . . . 27396 1 61 1 8.028 . 22.6946885987 . . . . . . . . . . . 27396 1 61 2 116.422 . 14.3338366134 . . . . . . . . . . . 27396 1 62 1 8.921 . 23.7036475183 . . . . . . . . . . . 27396 1 62 2 116.181 . 14.2084224141 . . . . . . . . . . . 27396 1 63 1 7.486 . 20.8858879045 . . . . . . . . . . . 27396 1 63 2 115.721 . 13.4467193174 . . . . . . . . . . . 27396 1 64 1 7.063 . 25.0993792411 . . . . . . . . . . . 27396 1 64 2 115.672 . 13.9399193241 . . . . . . . . . . . 27396 1 65 1 8.985 . 22.0305538336 . . . . . . . . . . . 27396 1 65 2 115.548 . 15.1539761306 . . . . . . . . . . . 27396 1 66 1 7.946 . 21.0668305839 . . . . . . . . . . . 27396 1 66 2 114.823 . 14.0035143867 . . . . . . . . . . . 27396 1 67 1 8.031 . 23.4120417989 . . . . . . . . . . . 27396 1 67 2 114.592 . 13.8905316691 . . . . . . . . . . . 27396 1 68 1 7.686 . 21.1743631277 . . . . . . . . . . . 27396 1 68 2 114.305 . 13.6473143819 . . . . . . . . . . . 27396 1 69 1 7.487 . 22.3947870644 . . . . . . . . . . . 27396 1 69 2 114.222 . 14.0693927826 . . . . . . . . . . . 27396 1 70 1 7.762 . 22.1989745282 . . . . . . . . . . . 27396 1 70 2 114.084 . 13.4135686997 . . . . . . . . . . . 27396 1 71 1 8.398 . 21.3798802021 . . . . . . . . . . . 27396 1 71 2 113.977 . 13.7022835184 . . . . . . . . . . . 27396 1 72 1 9.036 . 27.7820579446 . . . . . . . . . . . 27396 1 72 2 113.532 . 16.2464242935 . . . . . . . . . . . 27396 1 73 1 7.194 . 22.3880564976 . . . . . . . . . . . 27396 1 73 2 112.730 . 14.8085162494 . . . . . . . . . . . 27396 1 74 1 7.391 . 15.1115311714 . . . . . . . . . . . 27396 1 74 2 111.169 . 11.8724878147 . . . . . . . . . . . 27396 1 75 1 6.799 . 18.4045001056 . . . . . . . . . . . 27396 1 75 2 111.169 . 11.9253427537 . . . . . . . . . . . 27396 1 76 1 7.265 . 17.1677975888 . . . . . . . . . . . 27396 1 76 2 110.038 . 12.2573563384 . . . . . . . . . . . 27396 1 77 1 6.852 . 19.4444509374 . . . . . . . . . . . 27396 1 77 2 110.042 . 12.7347421473 . . . . . . . . . . . 27396 1 78 1 7.598 . 22.8380653238 . . . . . . . . . . . 27396 1 78 2 109.801 . 14.3453378481 . . . . . . . . . . . 27396 1 79 1 7.767 . 21.8413153394 . . . . . . . . . . . 27396 1 79 2 108.956 . 13.3648575879 . . . . . . . . . . . 27396 1 80 1 7.698 . 20.3893912100 . . . . . . . . . . . 27396 1 80 2 107.815 . 15.0211199560 . . . . . . . . . . . 27396 1 81 1 7.609 . 23.8957034590 . . . . . . . . . . . 27396 1 81 2 107.725 . 13.4495100582 . . . . . . . . . . . 27396 1 82 1 8.786 . 24.2810675391 . . . . . . . . . . . 27396 1 82 2 107.294 . 13.7073575926 . . . . . . . . . . . 27396 1 83 1 7.679 . 22.3348380625 . . . . . . . . . . . 27396 1 83 2 106.760 . 13.9834480091 . . . . . . . . . . . 27396 1 84 1 7.972 . 23.2198293333 . . . . . . . . . . . 27396 1 84 2 104.888 . 14.2275770440 . . . . . . . . . . . 27396 1 85 1 8.123 . 22.1877047420 . . . . . . . . . . . 27396 1 85 2 103.310 . 14.4793145474 . . . . . . . . . . . 27396 1 86 1 7.032 . 24.1386299628 . . . . . . . . . . . 27396 1 86 2 102.341 . 14.9273764362 . . . . . . . . . . . 27396 1 87 1 10.433 . 24.6134088400 . . . . . . . . . . . 27396 1 87 2 129.300 . 13.2408810430 . . . . . . . . . . . 27396 1 88 1 10.292 . 24.5732602265 . . . . . . . . . . . 27396 1 88 2 128.870 . 13.3716230201 . . . . . . . . . . . 27396 1 89 1 8.934 . 33.6963478571 . . . . . . . . . . . 27396 1 89 2 125.825 . 20.2772582214 . . . . . . . . . . . 27396 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 7.773 . . 1 . 1 1 87 GLU H . . . . . . . . . . 155 . 27396 1 1 2 1 . . 126.295 . . 1 . 1 1 87 GLU N . . . . . . . . . . 156 . 27396 1 2 1 1 . . 8.313 . . 1 . 1 1 28 ALA H . . . . . . . . . . 123 . 27396 1 2 2 1 . . 124.993 . . 1 . 1 1 28 ALA N . . . . . . . . . . 124 . 27396 1 3 1 2 . . 7.837 . . 1 . 1 1 61 ARG HE . . . . . . . . . . 859 . 27396 1 3 2 1 . . 84.852 . . 1 . 1 1 61 ARG NE . . . . . . . . . . 82 . 27396 1 4 1 1 . . 8.059 . . 1 . 1 1 11 ALA H . . . . . . . . . . 42 . 27396 1 4 2 1 . . 124.789 . . 1 . 1 1 11 ALA N . . . . . . . . . . 43 . 27396 1 5 1 1 . . 8.203 . . 1 . 1 1 44 ASP H . . . . . . . . . . 13 . 27396 1 5 2 1 . . 124.481 . . 1 . 1 1 44 ASP N . . . . . . . . . . 14 . 27396 1 6 1 1 . . 7.374 . . 1 . 1 1 80 ALA H . . . . . . . . . . 145 . 27396 1 6 2 1 . . 124.488 . . 1 . 1 1 80 ALA N . . . . . . . . . . 146 . 27396 1 7 1 2 . . 7.555 . . 1 . 1 1 85 ARG HE . . . . . . . . . . 860 . 27396 1 7 2 1 . . 84.334 . . 1 . 1 1 85 ARG NE . . . . . . . . . . 109 . 27396 1 8 1 1 . . 8.509 . . 1 . 1 1 56 ALA H . . . . . . . . . . 68 . 27396 1 8 2 1 . . 123.837 . . 1 . 1 1 56 ALA N . . . . . . . . . . 69 . 27396 1 9 1 1 . . 9.043 . . 1 . 1 1 40 MET H . . . . . . . . . . 23 . 27396 1 9 2 1 . . 123.309 . . 1 . 1 1 40 MET N . . . . . . . . . . 24 . 27396 1 10 1 1 . . 8.353 . . 1 . 1 1 35 LYS H . . . . . . . . . . 11 . 27396 1 10 2 1 . . 123.194 . . 1 . 1 1 35 LYS N . . . . . . . . . . 12 . 27396 1 11 1 1 . . 7.605 . . 1 . 1 1 32 LEU H . . . . . . . . . . 153 . 27396 1 11 2 1 . . 122.962 . . 1 . 1 1 32 LEU N . . . . . . . . . . 154 . 27396 1 12 1 1 . . 8.474 . . 1 . 1 1 3 ALA H . . . . . . . . . . 161 . 27396 1 12 2 1 . . 122.476 . . 1 . 1 1 3 ALA N . . . . . . . . . . 162 . 27396 1 13 1 1 . . 7.248 . . 1 . 1 1 51 TRP H . . . . . . . . . . 31 . 27396 1 13 2 1 . . 122.328 . . 1 . 1 1 51 TRP N . . . . . . . . . . 32 . 27396 1 14 1 1 . . 8.668 . . 1 . 1 1 26 ILE H . . . . . . . . . . 163 . 27396 1 14 2 1 . . 122.112 . . 1 . 1 1 26 ILE N . . . . . . . . . . 164 . 27396 1 15 1 1 . . 7.901 . . 1 . 1 1 60 GLN H . . . . . . . . . . 171 . 27396 1 15 2 1 . . 122.086 . . 1 . 1 1 60 GLN N . . . . . . . . . . 172 . 27396 1 16 1 1 . . 8.431 . . 1 . 1 1 13 LYS H . . . . . . . . . . 7 . 27396 1 16 2 1 . . 121.833 . . 1 . 1 1 13 LYS N . . . . . . . . . . 8 . 27396 1 17 1 1 . . 8.666 . . 1 . 1 1 74 TRP H . . . . . . . . . . 135 . 27396 1 17 2 1 . . 121.769 . . 1 . 1 1 74 TRP N . . . . . . . . . . 136 . 27396 1 18 1 1 . . 9.111 . . 1 . 1 1 23 LYS H . . . . . . . . . . 133 . 27396 1 18 2 1 . . 121.488 . . 1 . 1 1 23 LYS N . . . . . . . . . . 134 . 27396 1 19 1 1 . . 7.938 . . 1 . 1 1 72 LYS H . . . . . . . . . . 97 . 27396 1 19 2 1 . . 121.500 . . 1 . 1 1 72 LYS N . . . . . . . . . . 98 . 27396 1 20 1 1 . . 7.339 . . 1 . 1 1 83 ALA H . . . . . . . . . . 60 . 27396 1 20 2 1 . . 121.410 . . 1 . 1 1 83 ALA N . . . . . . . . . . 61 . 27396 1 21 1 1 . . 7.666 . . 1 . 1 1 7 VAL H . . . . . . . . . . 54 . 27396 1 21 2 1 . . 121.358 . . 1 . 1 1 7 VAL N . . . . . . . . . . 55 . 27396 1 22 1 1 . . 7.166 . . 1 . 1 1 76 LEU H . . . . . . . . . . 151 . 27396 1 22 2 1 . . 121.307 . . 1 . 1 1 76 LEU N . . . . . . . . . . 152 . 27396 1 23 1 1 . . 7.968 . . 1 . 1 1 57 ALA H . . . . . . . . . . 112 . 27396 1 23 2 1 . . 121.203 . . 1 . 1 1 57 ALA N . . . . . . . . . . 113 . 27396 1 24 1 1 . . 7.875 . . 1 . 1 1 25 GLU H . . . . . . . . . . 72 . 27396 1 24 2 1 . . 121.184 . . 1 . 1 1 25 GLU N . . . . . . . . . . 73 . 27396 1 25 1 1 . . 7.893 . . 1 . 1 1 62 ALA H . . . . . . . . . . 27 . 27396 1 25 2 1 . . 120.697 . . 1 . 1 1 62 ALA N . . . . . . . . . . 28 . 27396 1 26 1 1 . . 9.056 . . 1 . 1 1 70 GLU H . . . . . . . . . . 165 . 27396 1 26 2 1 . . 120.674 . . 1 . 1 1 70 GLU N . . . . . . . . . . 166 . 27396 1 27 1 1 . . 8.18 . . 1 . 1 1 77 VAL H . . . . . . . . . . 39 . 27396 1 27 2 1 . . 120.516 . . 1 . 1 1 77 VAL N . . . . . . . . . . 40 . 27396 1 28 1 1 . . 8.005 . . 1 . 1 1 6 LYS H . . . . . . . . . . 87 . 27396 1 28 2 1 . . 120.517 . . 1 . 1 1 6 LYS N . . . . . . . . . . 88 . 27396 1 29 1 1 . . 7.885 . . 1 . 1 1 86 GLU H . . . . . . . . . . 48 . 27396 1 29 2 1 . . 120.500 . . 1 . 1 1 86 GLU N . . . . . . . . . . 49 . 27396 1 30 1 1 . . 9.315 . . 1 . 1 1 52 ASP H . . . . . . . . . . 93 . 27396 1 30 2 1 . . 120.146 . . 1 . 1 1 52 ASP N . . . . . . . . . . 94 . 27396 1 31 1 1 . . 8.314 . . 1 . 1 1 24 LYS H . . . . . . . . . . 129 . 27396 1 31 2 1 . . 120.162 . . 1 . 1 1 24 LYS N . . . . . . . . . . 130 . 27396 1 32 1 1 . . 8.72 . . 1 . 1 1 78 LEU H . . . . . . . . . . 3 . 27396 1 32 2 1 . . 120.064 . . 1 . 1 1 78 LEU N . . . . . . . . . . 4 . 27396 1 33 1 1 . . 8.632 . . 1 . 1 1 8 ILE H . . . . . . . . . . 119 . 27396 1 33 2 1 . . 119.923 . . 1 . 1 1 8 ILE N . . . . . . . . . . 120 . 27396 1 34 1 1 . . 7.836 . . 1 . 1 1 29 MET H . . . . . . . . . . 116 . 27396 1 34 2 1 . . 119.744 . . 1 . 1 1 29 MET N . . . . . . . . . . 117 . 27396 1 35 1 1 . . 7.646 . . 1 . 1 1 71 LEU H . . . . . . . . . . 35 . 27396 1 35 2 1 . . 119.670 . . 1 . 1 1 71 LEU N . . . . . . . . . . 36 . 27396 1 36 1 1 . . 8.189 . . 1 . 1 1 5 ILE H . . . . . . . . . . 56 . 27396 1 36 2 1 . . 119.485 . . 1 . 1 1 5 ILE N . . . . . . . . . . 57 . 27396 1 37 1 1 . . 7.66 . . 1 . 1 1 84 ALA H . . . . . . . . . . 143 . 27396 1 37 2 1 . . 119.359 . . 1 . 1 1 84 ALA N . . . . . . . . . . 144 . 27396 1 38 1 1 . . 7.83 . . 1 . 1 1 61 ARG H . . . . . . . . . . 25 . 27396 1 38 2 1 . . 119.245 . . 1 . 1 1 61 ARG N . . . . . . . . . . 26 . 27396 1 39 1 1 . . 7.412 . . 1 . 1 1 54 ILE H . . . . . . . . . . 70 . 27396 1 39 2 1 . . 118.989 . . 1 . 1 1 54 ILE N . . . . . . . . . . 71 . 27396 1 40 1 1 . . 7.168 . . 1 . 1 1 67 LYS H . . . . . . . . . . 37 . 27396 1 40 2 1 . . 119.002 . . 1 . 1 1 67 LYS N . . . . . . . . . . 38 . 27396 1 41 1 1 . . 8.579 . . 1 . 1 1 30 LEU H . . . . . . . . . . 44 . 27396 1 41 2 1 . . 118.948 . . 1 . 1 1 30 LEU N . . . . . . . . . . 45 . 27396 1 42 1 1 . . 8.441 . . 1 . 1 1 81 LEU H . . . . . . . . . . 5 . 27396 1 42 2 1 . . 118.823 . . 1 . 1 1 81 LEU N . . . . . . . . . . 6 . 27396 1 43 1 1 . . 7.885 . . 1 . 1 1 38 LEU H . . . . . . . . . . 149 . 27396 1 43 2 1 . . 118.796 . . 1 . 1 1 38 LEU N . . . . . . . . . . 150 . 27396 1 44 1 1 . . 7.712 . . 1 . 1 1 4 VAL H . . . . . . . . . . 99 . 27396 1 44 2 1 . . 118.778 . . 1 . 1 1 4 VAL N . . . . . . . . . . 100 . 27396 1 45 1 1 . . 8.911 . . 1 . 1 1 22 SER H . . . . . . . . . . 62 . 27396 1 45 2 1 . . 118.415 . . 1 . 1 1 22 SER N . . . . . . . . . . 63 . 27396 1 46 1 1 . . 8.651 . . 1 . 1 1 55 THR H . . . . . . . . . . 17 . 27396 1 46 2 1 . . 118.050 . . 1 . 1 1 55 THR N . . . . . . . . . . 18 . 27396 1 47 1 1 . . 8.063 . . 1 . 1 1 82 LYS H . . . . . . . . . . 46 . 27396 1 47 2 1 . . 118.057 . . 1 . 1 1 82 LYS N . . . . . . . . . . 47 . 27396 1 48 1 1 . . 8.216 . . 1 . 1 1 64 ILE H . . . . . . . . . . 114 . 27396 1 48 2 1 . . 118.013 . . 1 . 1 1 64 ILE N . . . . . . . . . . 115 . 27396 1 49 1 1 . . 7.47 . . 1 . 1 1 45 LEU H . . . . . . . . . . 74 . 27396 1 49 2 1 . . 117.910 . . 1 . 1 1 45 LEU N . . . . . . . . . . 75 . 27396 1 50 1 1 . . 7.987 . . 1 . 1 1 15 TYR H . . . . . . . . . . 29 . 27396 1 50 2 1 . . 117.763 . . 1 . 1 1 15 TYR N . . . . . . . . . . 30 . 27396 1 51 1 1 . . 8.113 . . 1 . 1 1 34 GLN H . . . . . . . . . . 167 . 27396 1 51 2 1 . . 117.655 . . 1 . 1 1 34 GLN N . . . . . . . . . . 168 . 27396 1 52 1 1 . . 8.225 . . 1 . 1 1 73 THR H . . . . . . . . . . 85 . 27396 1 52 2 1 . . 117.525 . . 1 . 1 1 73 THR N . . . . . . . . . . 86 . 27396 1 53 1 1 . . 8.502 . . 1 . 1 1 59 SER H . . . . . . . . . . 131 . 27396 1 53 2 1 . . 117.523 . . 1 . 1 1 59 SER N . . . . . . . . . . 132 . 27396 1 54 1 1 . . 8.785 . . 1 . 1 1 58 LEU H . . . . . . . . . . 121 . 27396 1 54 2 1 . . 117.476 . . 1 . 1 1 58 LEU N . . . . . . . . . . 122 . 27396 1 55 1 1 . . 7.962 . . 1 . 1 1 65 LEU H . . . . . . . . . . 52 . 27396 1 55 2 1 . . 117.102 . . 1 . 1 1 65 LEU N . . . . . . . . . . 53 . 27396 1 56 1 1 . . 7.457 . . 1 . 1 1 85 ARG H . . . . . . . . . . 9 . 27396 1 56 2 1 . . 116.861 . . 1 . 1 1 85 ARG N . . . . . . . . . . 10 . 27396 1 57 1 1 . . 8.14 . . 1 . 1 1 10 SER H . . . . . . . . . . 141 . 27396 1 57 2 1 . . 116.619 . . 1 . 1 1 10 SER N . . . . . . . . . . 142 . 27396 1 58 1 1 . . 8.713 . . 1 . 1 1 12 CYS H . . . . . . . . . . 105 . 27396 1 58 2 1 . . 116.476 . . 1 . 1 1 12 CYS N . . . . . . . . . . 106 . 27396 1 59 1 1 . . 7.869 . . 1 . 1 1 63 MET H . . . . . . . . . . 66 . 27396 1 59 2 1 . . 116.481 . . 1 . 1 1 63 MET N . . . . . . . . . . 67 . 27396 1 60 1 1 . . 8.526 . . 1 . 1 1 68 SER H . . . . . . . . . . 21 . 27396 1 60 2 1 . . 116.407 . . 1 . 1 1 68 SER N . . . . . . . . . . 22 . 27396 1 61 1 1 . . 8.034 . . 1 . 1 1 33 LEU H . . . . . . . . . . 157 . 27396 1 61 2 1 . . 116.422 . . 1 . 1 1 33 LEU N . . . . . . . . . . 158 . 27396 1 62 1 1 . . 8.927 . . 1 . 1 1 16 CYS H . . . . . . . . . . 107 . 27396 1 62 2 1 . . 116.181 . . 1 . 1 1 16 CYS N . . . . . . . . . . 108 . 27396 1 63 1 1 . . 7.492 . . 1 . 1 1 20 SER H . . . . . . . . . . 80 . 27396 1 63 2 1 . . 115.721 . . 1 . 1 1 20 SER N . . . . . . . . . . 81 . 27396 1 64 1 1 . . 7.069 . . 1 . 1 1 39 LEU H . . . . . . . . . . 76 . 27396 1 64 2 1 . . 115.672 . . 1 . 1 1 39 LEU N . . . . . . . . . . 77 . 27396 1 65 1 1 . . 8.991 . . 1 . 1 1 9 SER H . . . . . . . . . . 127 . 27396 1 65 2 1 . . 115.548 . . 1 . 1 1 9 SER N . . . . . . . . . . 128 . 27396 1 66 1 1 . . 7.952 . . 1 . 1 1 50 SER H . . . . . . . . . . 91 . 27396 1 66 2 1 . . 114.823 . . 1 . 1 1 50 SER N . . . . . . . . . . 92 . 27396 1 67 1 1 . . 8.037 . . 1 . 1 1 36 GLU H . . . . . . . . . . 159 . 27396 1 67 2 1 . . 114.592 . . 1 . 1 1 36 GLU N . . . . . . . . . . 160 . 27396 1 68 1 1 . . 7.692 . . 1 . 1 1 14 THR H . . . . . . . . . . 95 . 27396 1 68 2 1 . . 114.305 . . 1 . 1 1 14 THR N . . . . . . . . . . 96 . 27396 1 69 1 1 . . 7.493 . . 1 . 1 1 47 SER H . . . . . . . . . . 139 . 27396 1 69 2 1 . . 114.222 . . 1 . 1 1 47 SER N . . . . . . . . . . 140 . 27396 1 70 1 1 . . 7.768 . . 1 . 1 1 41 SER H . . . . . . . . . . 103 . 27396 1 70 2 1 . . 114.084 . . 1 . 1 1 41 SER N . . . . . . . . . . 104 . 27396 1 71 1 1 . . 8.404 . . 1 . 1 1 31 SER H . . . . . . . . . . 64 . 27396 1 71 2 1 . . 113.977 . . 1 . 1 1 31 SER N . . . . . . . . . . 65 . 27396 1 72 1 1 . . 9.042 . . 1 . 1 1 69 GLY H . . . . . . . . . . 19 . 27396 1 72 2 1 . . 113.532 . . 1 . 1 1 69 GLY N . . . . . . . . . . 20 . 27396 1 73 1 1 . . 7.2 . . 1 . 1 1 46 TYR H . . . . . . . . . . 169 . 27396 1 73 2 1 . . 112.730 . . 1 . 1 1 46 TYR N . . . . . . . . . . 170 . 27396 1 74 1 1 . . 7.397 . . 1 . 1 1 60 GLN HE22 . . . . . . . . . . 118 . 27396 1 74 2 1 . . 111.169 . . 1 . 1 1 60 GLN NE2 . . . . . . . . . . 79 . 27396 1 75 1 1 . . 6.805 . . 1 . 1 1 60 GLN HE21 . . . . . . . . . . 78 . 27396 1 75 2 1 . . 111.169 . . 1 . 1 1 60 GLN NE2 . . . . . . . . . . 79 . 27396 1 76 1 1 . . 7.271 . . 1 . 1 1 34 GLN HE21 . . . . . . . . . . 33 . 27396 1 76 2 1 . . 110.038 . . 1 . 1 1 34 GLN NE2 . . . . . . . . . . 34 . 27396 1 77 1 1 . . 6.858 . . 1 . 1 1 34 GLN HE22 . . . . . . . . . . 41 . 27396 1 77 2 1 . . 110.042 . . 1 . 1 1 34 GLN NE2 . . . . . . . . . . 34 . 27396 1 78 1 1 . . 7.604 . . 1 . 1 1 19 THR H . . . . . . . . . . 89 . 27396 1 78 2 1 . . 109.801 . . 1 . 1 1 19 THR N . . . . . . . . . . 90 . 27396 1 79 1 1 . . 7.773 . . 1 . 1 1 17 GLY H . . . . . . . . . . 50 . 27396 1 79 2 1 . . 108.956 . . 1 . 1 1 17 GLY N . . . . . . . . . . 51 . 27396 1 80 1 1 . . 7.704 . . 1 . 1 1 43 SER H . . . . . . . . . . 1 . 27396 1 80 2 1 . . 107.815 . . 1 . 1 1 43 SER N . . . . . . . . . . 2 . 27396 1 81 1 1 . . 7.615 . . 1 . 1 1 66 GLY H . . . . . . . . . . 137 . 27396 1 81 2 1 . . 107.725 . . 1 . 1 1 66 GLY N . . . . . . . . . . 138 . 27396 1 82 1 1 . . 8.792 . . 1 . 1 1 27 GLY H . . . . . . . . . . 101 . 27396 1 82 2 1 . . 107.294 . . 1 . 1 1 27 GLY N . . . . . . . . . . 102 . 27396 1 83 1 1 . . 7.685 . . 1 . 1 1 37 GLY H . . . . . . . . . . 125 . 27396 1 83 2 1 . . 106.760 . . 1 . 1 1 37 GLY N . . . . . . . . . . 126 . 27396 1 84 1 1 . . 7.978 . . 1 . 1 1 49 GLY H . . . . . . . . . . 58 . 27396 1 84 2 1 . . 104.888 . . 1 . 1 1 49 GLY N . . . . . . . . . . 59 . 27396 1 85 1 1 . . 8.129 . . 1 . 1 1 75 GLY H . . . . . . . . . . 15 . 27396 1 85 2 1 . . 103.310 . . 1 . 1 1 75 GLY N . . . . . . . . . . 16 . 27396 1 86 1 1 . . 7.038 . . 1 . 1 1 79 GLY H . . . . . . . . . . 147 . 27396 1 86 2 1 . . 102.341 . . 1 . 1 1 79 GLY N . . . . . . . . . . 148 . 27396 1 87 1 1 . . 10.439 . . 1 . 1 1 51 TRP HE1 . . . . . . . . . . 110 . 27396 1 87 2 1 . . 129.300 . . 1 . 1 1 51 TRP NE1 . . . . . . . . . . 111 . 27396 1 88 1 2 . . 10.298 . . 1 . 1 1 74 TRP HE1 . . . . . . . . . . 83 . 27396 1 88 2 1 . . 128.870 . . 1 . 1 1 74 TRP NE1 . . . . . . . . . . 84 . 27396 1 89 1 1 . . 8.94 . . 1 . 1 1 18 LYS H . . . . . . . . . . 316 . 27396 1 89 2 1 . . 125.825 . . 1 . 1 1 18 LYS N . . . . . . . . . . 315 . 27396 1 stop_ save_