data_16995 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16995 _Entry.Title ; Solution structure of a bolA protein (ECH_0303) from Ehrlichia chaffeensis, the causative agent of human monocytic ehrlichiosis. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target EhchA.10365.a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-10 _Entry.Accession_date 2010-06-10 _Entry.Last_release_date 2010-07-01 _Entry.Original_release_date 2010-07-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Buchko Garry . W. . 16995 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 . 'not applicable' 'Seattle Structural Genomics Center for Infectious Disease' . 16995 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BolA protein family' . 16995 'human monocytotropic ehrlichiosis' . 16995 'infectious disease' . 16995 'stress response' . 16995 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16995 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 272 16995 '15N chemical shifts' 66 16995 '1H chemical shifts' 447 16995 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 . . 2010-07-01 2010-06-10 original author . 16995 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KZ0 'BMRB Entry Tracking System' 16995 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16995 _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 'Structural characterization of a BolA protein (ECH_0303) from Ehrlichia chaffeensis, the agent responsible for human monocytotropic ehrlichiosis.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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.Entry_ID _Citation_author.Citation_ID 1 Garry Buchko . W. . 16995 1 2 Stephen Hewitt . N. . 16995 1 3 Alberto Napuli . J. . 16995 1 4 Wesley 'Van Voorhis' . C. . 16995 1 5 Peter Myler . J. . 16995 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16995 _Assembly.ID 1 _Assembly.Name 'bolA protein (ECH_0303)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ECH_0303 1 $ECH_0303 A . yes native no no . . . 16995 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ECH_0303 _Entity.Sf_category entity _Entity.Sf_framecode ECH_0303 _Entity.Entry_ID 16995 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ECH_0303 _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 ; PGSMTVTQSQLELLIRNAFP EAEITVTSLVGDNNHYSIKV ISSQFQGKSKLEQHRMIYKV LDGLNIHAIQIQTGCK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first three residues, PGS-, are left over after removal of the N-terminal tag. The first native residue is M4.' _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 1 no PDB 2KZ0 . "Solution Structure Of A Bola Protein (Ech_0303) From Ehrlichia Chaffeensis. Seattle Structural Genomics Center For Infectious D" . . . . . 100.00 76 100.00 100.00 1.46e-47 . . . . 16995 1 2 no GB ABD45544 . "BolA family protein [Ehrlichia chaffeensis str. Arkansas]" . . . . . 96.05 73 100.00 100.00 8.04e-45 . . . . 16995 1 3 no GB AHX03418 . "bolA-like family protein [Ehrlichia chaffeensis str. Heartland]" . . . . . 96.05 73 100.00 100.00 8.04e-45 . . . . 16995 1 4 no GB AHX05861 . "bolA-like family protein [Ehrlichia chaffeensis str. Jax]" . . . . . 96.05 73 100.00 100.00 8.04e-45 . . . . 16995 1 5 no GB AHX06852 . "bolA-like family protein [Ehrlichia chaffeensis str. Liberty]" . . . . . 96.05 73 100.00 100.00 8.04e-45 . . . . 16995 1 6 no GB AHX07132 . "bolA-like family protein [Ehrlichia chaffeensis str. Osceola]" . . . . . 96.05 73 100.00 100.00 8.04e-45 . . . . 16995 1 7 no REF WP_006011371 . "cell division protein BolA [Ehrlichia chaffeensis]" . . . . . 96.05 73 100.00 100.00 8.04e-45 . . . . 16995 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 . PRO . 16995 1 2 . GLY . 16995 1 3 . SER . 16995 1 4 . MET . 16995 1 5 . THR . 16995 1 6 . VAL . 16995 1 7 . THR . 16995 1 8 . GLN . 16995 1 9 . SER . 16995 1 10 . GLN . 16995 1 11 . LEU . 16995 1 12 . GLU . 16995 1 13 . LEU . 16995 1 14 . LEU . 16995 1 15 . ILE . 16995 1 16 . ARG . 16995 1 17 . ASN . 16995 1 18 . ALA . 16995 1 19 . PHE . 16995 1 20 . PRO . 16995 1 21 . GLU . 16995 1 22 . ALA . 16995 1 23 . GLU . 16995 1 24 . ILE . 16995 1 25 . THR . 16995 1 26 . VAL . 16995 1 27 . THR . 16995 1 28 . SER . 16995 1 29 . LEU . 16995 1 30 . VAL . 16995 1 31 . GLY . 16995 1 32 . ASP . 16995 1 33 . ASN . 16995 1 34 . ASN . 16995 1 35 . HIS . 16995 1 36 . TYR . 16995 1 37 . SER . 16995 1 38 . ILE . 16995 1 39 . LYS . 16995 1 40 . VAL . 16995 1 41 . ILE . 16995 1 42 . SER . 16995 1 43 . SER . 16995 1 44 . GLN . 16995 1 45 . PHE . 16995 1 46 . GLN . 16995 1 47 . GLY . 16995 1 48 . LYS . 16995 1 49 . SER . 16995 1 50 . LYS . 16995 1 51 . LEU . 16995 1 52 . GLU . 16995 1 53 . GLN . 16995 1 54 . HIS . 16995 1 55 . ARG . 16995 1 56 . MET . 16995 1 57 . ILE . 16995 1 58 . TYR . 16995 1 59 . LYS . 16995 1 60 . VAL . 16995 1 61 . LEU . 16995 1 62 . ASP . 16995 1 63 . GLY . 16995 1 64 . LEU . 16995 1 65 . ASN . 16995 1 66 . ILE . 16995 1 67 . HIS . 16995 1 68 . ALA . 16995 1 69 . ILE . 16995 1 70 . GLN . 16995 1 71 . ILE . 16995 1 72 . GLN . 16995 1 73 . THR . 16995 1 74 . GLY . 16995 1 75 . CYS . 16995 1 76 . LYS . 16995 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 . PRO 1 1 16995 1 . GLY 2 2 16995 1 . SER 3 3 16995 1 . MET 4 4 16995 1 . THR 5 5 16995 1 . VAL 6 6 16995 1 . THR 7 7 16995 1 . GLN 8 8 16995 1 . SER 9 9 16995 1 . GLN 10 10 16995 1 . LEU 11 11 16995 1 . GLU 12 12 16995 1 . LEU 13 13 16995 1 . LEU 14 14 16995 1 . ILE 15 15 16995 1 . ARG 16 16 16995 1 . ASN 17 17 16995 1 . ALA 18 18 16995 1 . PHE 19 19 16995 1 . PRO 20 20 16995 1 . GLU 21 21 16995 1 . ALA 22 22 16995 1 . GLU 23 23 16995 1 . ILE 24 24 16995 1 . THR 25 25 16995 1 . VAL 26 26 16995 1 . THR 27 27 16995 1 . SER 28 28 16995 1 . LEU 29 29 16995 1 . VAL 30 30 16995 1 . GLY 31 31 16995 1 . ASP 32 32 16995 1 . ASN 33 33 16995 1 . ASN 34 34 16995 1 . HIS 35 35 16995 1 . TYR 36 36 16995 1 . SER 37 37 16995 1 . ILE 38 38 16995 1 . LYS 39 39 16995 1 . VAL 40 40 16995 1 . ILE 41 41 16995 1 . SER 42 42 16995 1 . SER 43 43 16995 1 . GLN 44 44 16995 1 . PHE 45 45 16995 1 . GLN 46 46 16995 1 . GLY 47 47 16995 1 . LYS 48 48 16995 1 . SER 49 49 16995 1 . LYS 50 50 16995 1 . LEU 51 51 16995 1 . GLU 52 52 16995 1 . GLN 53 53 16995 1 . HIS 54 54 16995 1 . ARG 55 55 16995 1 . MET 56 56 16995 1 . ILE 57 57 16995 1 . TYR 58 58 16995 1 . LYS 59 59 16995 1 . VAL 60 60 16995 1 . LEU 61 61 16995 1 . ASP 62 62 16995 1 . GLY 63 63 16995 1 . LEU 64 64 16995 1 . ASN 65 65 16995 1 . ILE 66 66 16995 1 . HIS 67 67 16995 1 . ALA 68 68 16995 1 . ILE 69 69 16995 1 . GLN 70 70 16995 1 . ILE 71 71 16995 1 . GLN 72 72 16995 1 . THR 73 73 16995 1 . GLY 74 74 16995 1 . CYS 75 75 16995 1 . LYS 76 76 16995 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 16995 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ECH_0303 . 945 organism . 'Ehrlichia chaffeensis' 'Ehrlichia chaffeensis' . . Bacteria . Ehrlichia chaffeensis Arkansas . . . . . . . . . . . . . . . ECH_0303 . . . . 16995 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 16995 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ECH_0303 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . AVA0421 . . . . . . 16995 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16995 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ECH_0303 '[U-99% 13C; U-99% 15N]' . . 1 $ECH_0303 . . 1.5 . . mM 0.3 . . . 16995 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 16995 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 16995 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 16995 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16995 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16995 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16995 _Sample.ID 2 _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 ECH_0303 '[U-99% 13C; U-99% 15N]' . . 1 $ECH_0303 . . 1.0 . . mM 0.1 . . . 16995 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 16995 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 16995 2 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 16995 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16995 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16995 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 0.01 M 16995 1 pH 7.1 0.1 pH 16995 1 pressure 1 . atm 16995 1 temperature 293 . K 16995 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16995 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16995 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16995 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16995 _Software.ID 2 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16995 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16995 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16995 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16995 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16995 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16995 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16995 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16995 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16995 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16995 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 16995 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16995 1 2 spectrometer_2 Varian INOVA . 750 . . . 16995 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 16995 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16995 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16995 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16995 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16995 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16995 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16995 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16995 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16995 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16995 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 16995 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16995 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16995 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16995 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16995 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16995 1 4 '3D HNCO' . . . 16995 1 5 '3D HN(COCA)CB' . . . 16995 1 7 '3D 1H-15N NOESY' . . . 16995 1 8 '3D 1H-13C NOESY' . . . 16995 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 2 $Felix . . 16995 1 3 $SPARKY . . 16995 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HA H 1 4.52 0.02 . 1 . . . . 1 PRO HA . 16995 1 2 . 1 1 1 1 PRO HB2 H 1 2.33 0.02 . 2 . . . . 1 PRO HB2 . 16995 1 3 . 1 1 1 1 PRO HB3 H 1 2.33 0.02 . 2 . . . . 1 PRO HB3 . 16995 1 4 . 1 1 1 1 PRO HD2 H 1 3.61 0.02 . 2 . . . . 1 PRO HD2 . 16995 1 5 . 1 1 1 1 PRO HD3 H 1 3.58 0.02 . 2 . . . . 1 PRO HD3 . 16995 1 6 . 1 1 1 1 PRO HG2 H 1 2.04 0.02 . 2 . . . . 1 PRO HG2 . 16995 1 7 . 1 1 1 1 PRO HG3 H 1 2.04 0.02 . 2 . . . . 1 PRO HG3 . 16995 1 8 . 1 1 1 1 PRO C C 13 177.6 0.2 . 1 . . . . 1 PRO C . 16995 1 9 . 1 1 1 1 PRO CA C 13 63.3 0.2 . 1 . . . . 1 PRO CA . 16995 1 10 . 1 1 1 1 PRO CB C 13 32.1 0.2 . 1 . . . . 1 PRO CB . 16995 1 11 . 1 1 1 1 PRO CD C 13 49.6 0.2 . 1 . . . . 1 PRO CD . 16995 1 12 . 1 1 1 1 PRO CG C 13 27.0 0.2 . 1 . . . . 1 PRO CG . 16995 1 13 . 1 1 2 2 GLY H H 1 8.56 0.02 . 1 . . . . 2 GLY H . 16995 1 14 . 1 1 2 2 GLY HA2 H 1 4.00 0.02 . 2 . . . . 2 GLY HA2 . 16995 1 15 . 1 1 2 2 GLY HA3 H 1 4.00 0.02 . 2 . . . . 2 GLY HA3 . 16995 1 16 . 1 1 2 2 GLY CA C 13 45.3 0.2 . 1 . . . . 2 GLY CA . 16995 1 17 . 1 1 2 2 GLY N N 15 109.5 0.2 . 1 . . . . 2 GLY N . 16995 1 18 . 1 1 3 3 SER H H 1 8.15 0.02 . 1 . . . . 3 SER H . 16995 1 19 . 1 1 3 3 SER HA H 1 4.49 0.02 . 1 . . . . 3 SER HA . 16995 1 20 . 1 1 3 3 SER HB2 H 1 3.90 0.02 . 2 . . . . 3 SER HB2 . 16995 1 21 . 1 1 3 3 SER HB3 H 1 3.90 0.02 . 2 . . . . 3 SER HB3 . 16995 1 22 . 1 1 3 3 SER CA C 13 58.3 0.2 . 1 . . . . 3 SER CA . 16995 1 23 . 1 1 3 3 SER CB C 13 63.9 0.2 . 1 . . . . 3 SER CB . 16995 1 24 . 1 1 3 3 SER N N 15 115.1 0.2 . 1 . . . . 3 SER N . 16995 1 25 . 1 1 4 4 MET HE1 H 1 2.10 0.02 . 1 . . . . 4 MET ME . 16995 1 26 . 1 1 4 4 MET HE2 H 1 2.10 0.02 . 1 . . . . 4 MET ME . 16995 1 27 . 1 1 4 4 MET HE3 H 1 2.10 0.02 . 1 . . . . 4 MET ME . 16995 1 28 . 1 1 4 4 MET CE C 13 16.9 0.2 . 1 . . . . 4 MET CE . 16995 1 29 . 1 1 5 5 THR HA H 1 4.51 0.02 . 1 . . . . 5 THR HA . 16995 1 30 . 1 1 5 5 THR HB H 1 4.21 0.02 . 1 . . . . 5 THR HB . 16995 1 31 . 1 1 5 5 THR HG21 H 1 1.27 0.02 . 1 . . . . 5 THR MG . 16995 1 32 . 1 1 5 5 THR HG22 H 1 1.27 0.02 . 1 . . . . 5 THR MG . 16995 1 33 . 1 1 5 5 THR HG23 H 1 1.27 0.02 . 1 . . . . 5 THR MG . 16995 1 34 . 1 1 5 5 THR C C 13 174.0 0.2 . 1 . . . . 5 THR C . 16995 1 35 . 1 1 5 5 THR CA C 13 62.2 0.2 . 1 . . . . 5 THR CA . 16995 1 36 . 1 1 5 5 THR CB C 13 69.8 0.2 . 1 . . . . 5 THR CB . 16995 1 37 . 1 1 5 5 THR CG2 C 13 21.7 0.2 . 1 . . . . 5 THR CG2 . 16995 1 38 . 1 1 6 6 VAL H H 1 8.54 0.02 . 1 . . . . 6 VAL H . 16995 1 39 . 1 1 6 6 VAL HB H 1 2.12 0.02 . 1 . . . . 6 VAL HB . 16995 1 40 . 1 1 6 6 VAL HG11 H 1 0.91 0.02 . 2 . . . . 6 VAL MG1 . 16995 1 41 . 1 1 6 6 VAL HG12 H 1 0.91 0.02 . 2 . . . . 6 VAL MG1 . 16995 1 42 . 1 1 6 6 VAL HG13 H 1 0.91 0.02 . 2 . . . . 6 VAL MG1 . 16995 1 43 . 1 1 6 6 VAL HG21 H 1 0.91 0.02 . 2 . . . . 6 VAL MG2 . 16995 1 44 . 1 1 6 6 VAL HG22 H 1 0.91 0.02 . 2 . . . . 6 VAL MG2 . 16995 1 45 . 1 1 6 6 VAL HG23 H 1 0.91 0.02 . 2 . . . . 6 VAL MG2 . 16995 1 46 . 1 1 6 6 VAL C C 13 175.7 0.2 . 1 . . . . 6 VAL C . 16995 1 47 . 1 1 6 6 VAL CA C 13 60.7 0.2 . 1 . . . . 6 VAL CA . 16995 1 48 . 1 1 6 6 VAL CB C 13 34.1 0.2 . 1 . . . . 6 VAL CB . 16995 1 49 . 1 1 6 6 VAL CG1 C 13 20.9 0.2 . 2 . . . . 6 VAL CG1 . 16995 1 50 . 1 1 6 6 VAL CG2 C 13 20.9 0.2 . 2 . . . . 6 VAL CG2 . 16995 1 51 . 1 1 6 6 VAL N N 15 121.8 0.2 . 1 . . . . 6 VAL N . 16995 1 52 . 1 1 7 7 THR H H 1 8.06 0.02 . 1 . . . . 7 THR H . 16995 1 53 . 1 1 7 7 THR HA H 1 4.61 0.02 . 1 . . . . 7 THR HA . 16995 1 54 . 1 1 7 7 THR HB H 1 4.70 0.02 . 1 . . . . 7 THR HB . 16995 1 55 . 1 1 7 7 THR HG21 H 1 1.30 0.02 . 1 . . . . 7 THR MG . 16995 1 56 . 1 1 7 7 THR HG22 H 1 1.30 0.02 . 1 . . . . 7 THR MG . 16995 1 57 . 1 1 7 7 THR HG23 H 1 1.30 0.02 . 1 . . . . 7 THR MG . 16995 1 58 . 1 1 7 7 THR C C 13 174.5 0.2 . 1 . . . . 7 THR C . 16995 1 59 . 1 1 7 7 THR CA C 13 60.3 0.2 . 1 . . . . 7 THR CA . 16995 1 60 . 1 1 7 7 THR CB C 13 71.5 0.2 . 1 . . . . 7 THR CB . 16995 1 61 . 1 1 7 7 THR N N 15 115.3 0.2 . 1 . . . . 7 THR N . 16995 1 62 . 1 1 8 8 GLN H H 1 9.02 0.02 . 1 . . . . 8 GLN H . 16995 1 63 . 1 1 8 8 GLN HA H 1 3.57 0.02 . 1 . . . . 8 GLN HA . 16995 1 64 . 1 1 8 8 GLN HB2 H 1 2.38 0.02 . 2 . . . . 8 GLN HB2 . 16995 1 65 . 1 1 8 8 GLN HB3 H 1 2.14 0.02 . 2 . . . . 8 GLN HB3 . 16995 1 66 . 1 1 8 8 GLN HE21 H 1 7.68 0.02 . 2 . . . . 8 GLN HE21 . 16995 1 67 . 1 1 8 8 GLN HE22 H 1 6.86 0.02 . 2 . . . . 8 GLN HE22 . 16995 1 68 . 1 1 8 8 GLN HG2 H 1 2.31 0.02 . 2 . . . . 8 GLN HG2 . 16995 1 69 . 1 1 8 8 GLN HG3 H 1 2.22 0.02 . 2 . . . . 8 GLN HG3 . 16995 1 70 . 1 1 8 8 GLN C C 13 177.7 0.2 . 1 . . . . 8 GLN C . 16995 1 71 . 1 1 8 8 GLN CA C 13 60.2 0.2 . 1 . . . . 8 GLN CA . 16995 1 72 . 1 1 8 8 GLN CB C 13 28.0 0.2 . 1 . . . . 8 GLN CB . 16995 1 73 . 1 1 8 8 GLN CG C 13 33.2 0.2 . 1 . . . . 8 GLN CG . 16995 1 74 . 1 1 8 8 GLN N N 15 121.5 0.2 . 1 . . . . 8 GLN N . 16995 1 75 . 1 1 8 8 GLN NE2 N 15 111.8 0.2 . 1 . . . . 8 GLN NE2 . 16995 1 76 . 1 1 9 9 SER H H 1 8.43 0.02 . 1 . . . . 9 SER H . 16995 1 77 . 1 1 9 9 SER HA H 1 4.24 0.02 . 1 . . . . 9 SER HA . 16995 1 78 . 1 1 9 9 SER HB2 H 1 3.88 0.02 . 2 . . . . 9 SER HB2 . 16995 1 79 . 1 1 9 9 SER HB3 H 1 3.88 0.02 . 2 . . . . 9 SER HB3 . 16995 1 80 . 1 1 9 9 SER C C 13 177.2 0.2 . 1 . . . . 9 SER C . 16995 1 81 . 1 1 9 9 SER CA C 13 61.2 0.2 . 1 . . . . 9 SER CA . 16995 1 82 . 1 1 9 9 SER CB C 13 62.4 0.2 . 1 . . . . 9 SER CB . 16995 1 83 . 1 1 9 9 SER N N 15 112.4 0.2 . 1 . . . . 9 SER N . 16995 1 84 . 1 1 10 10 GLN H H 1 7.62 0.02 . 1 . . . . 10 GLN H . 16995 1 85 . 1 1 10 10 GLN HA H 1 4.02 0.02 . 1 . . . . 10 GLN HA . 16995 1 86 . 1 1 10 10 GLN HB2 H 1 2.24 0.02 . 2 . . . . 10 GLN HB2 . 16995 1 87 . 1 1 10 10 GLN HB3 H 1 2.00 0.02 . 2 . . . . 10 GLN HB3 . 16995 1 88 . 1 1 10 10 GLN CA C 13 58.5 0.2 . 1 . . . . 10 GLN CA . 16995 1 89 . 1 1 10 10 GLN CB C 13 28.8 0.2 . 1 . . . . 10 GLN CB . 16995 1 90 . 1 1 10 10 GLN N N 15 122.4 0.2 . 1 . . . . 10 GLN N . 16995 1 91 . 1 1 11 11 LEU HA H 1 3.86 0.02 . 1 . . . . 11 LEU HA . 16995 1 92 . 1 1 11 11 LEU HB2 H 1 1.42 0.02 . 2 . . . . 11 LEU HB2 . 16995 1 93 . 1 1 11 11 LEU HB3 H 1 1.34 0.02 . 2 . . . . 11 LEU HB3 . 16995 1 94 . 1 1 11 11 LEU HD11 H 1 0.42 0.2 . 2 . . . . 11 LEU MD1 . 16995 1 95 . 1 1 11 11 LEU HD12 H 1 0.42 0.2 . 2 . . . . 11 LEU MD1 . 16995 1 96 . 1 1 11 11 LEU HD13 H 1 0.42 0.2 . 2 . . . . 11 LEU MD1 . 16995 1 97 . 1 1 11 11 LEU HD21 H 1 0.42 0.2 . 2 . . . . 11 LEU MD2 . 16995 1 98 . 1 1 11 11 LEU HD22 H 1 0.42 0.2 . 2 . . . . 11 LEU MD2 . 16995 1 99 . 1 1 11 11 LEU HD23 H 1 0.42 0.2 . 2 . . . . 11 LEU MD2 . 16995 1 100 . 1 1 11 11 LEU C C 13 177.9 0.2 . 1 . . . . 11 LEU C . 16995 1 101 . 1 1 11 11 LEU CA C 13 57.8 0.2 . 1 . . . . 11 LEU CA . 16995 1 102 . 1 1 11 11 LEU CB C 13 41.7 0.2 . 1 . . . . 11 LEU CB . 16995 1 103 . 1 1 11 11 LEU CD1 C 13 24.1 0.2 . 2 . . . . 11 LEU CD1 . 16995 1 104 . 1 1 11 11 LEU CD2 C 13 24.1 0.2 . 2 . . . . 11 LEU CD2 . 16995 1 105 . 1 1 12 12 GLU H H 1 8.32 0.02 . 1 . . . . 12 GLU H . 16995 1 106 . 1 1 12 12 GLU HA H 1 3.55 0.02 . 1 . . . . 12 GLU HA . 16995 1 107 . 1 1 12 12 GLU HB2 H 1 2.13 0.02 . 2 . . . . 12 GLU HB2 . 16995 1 108 . 1 1 12 12 GLU HB3 H 1 2.02 0.02 . 2 . . . . 12 GLU HB3 . 16995 1 109 . 1 1 12 12 GLU HG2 H 1 2.30 0.02 . 2 . . . . 12 GLU HG2 . 16995 1 110 . 1 1 12 12 GLU HG3 H 1 2.10 0.02 . 2 . . . . 12 GLU HG3 . 16995 1 111 . 1 1 12 12 GLU C C 13 177.9 0.2 . 1 . . . . 12 GLU C . 16995 1 112 . 1 1 12 12 GLU CA C 13 60.6 0.2 . 1 . . . . 12 GLU CA . 16995 1 113 . 1 1 12 12 GLU CB C 13 29.6 0.2 . 1 . . . . 12 GLU CB . 16995 1 114 . 1 1 12 12 GLU CG C 13 37.1 0.2 . 1 . . . . 12 GLU CG . 16995 1 115 . 1 1 12 12 GLU N N 15 117.4 0.2 . 1 . . . . 12 GLU N . 16995 1 116 . 1 1 13 13 LEU H H 1 7.91 0.02 . 1 . . . . 13 LEU H . 16995 1 117 . 1 1 13 13 LEU HA H 1 4.04 0.02 . 1 . . . . 13 LEU HA . 16995 1 118 . 1 1 13 13 LEU HB2 H 1 1.72 0.02 . 2 . . . . 13 LEU HB2 . 16995 1 119 . 1 1 13 13 LEU HB3 H 1 1.72 0.02 . 2 . . . . 13 LEU HB3 . 16995 1 120 . 1 1 13 13 LEU HD11 H 1 0.90 0.02 . 2 . . . . 13 LEU MD1 . 16995 1 121 . 1 1 13 13 LEU HD12 H 1 0.90 0.02 . 2 . . . . 13 LEU MD1 . 16995 1 122 . 1 1 13 13 LEU HD13 H 1 0.90 0.02 . 2 . . . . 13 LEU MD1 . 16995 1 123 . 1 1 13 13 LEU HD21 H 1 0.90 0.02 . 2 . . . . 13 LEU MD2 . 16995 1 124 . 1 1 13 13 LEU HD22 H 1 0.90 0.02 . 2 . . . . 13 LEU MD2 . 16995 1 125 . 1 1 13 13 LEU HD23 H 1 0.90 0.02 . 2 . . . . 13 LEU MD2 . 16995 1 126 . 1 1 13 13 LEU C C 13 178.6 0.2 . 1 . . . . 13 LEU C . 16995 1 127 . 1 1 13 13 LEU CA C 13 58.1 0.2 . 1 . . . . 13 LEU CA . 16995 1 128 . 1 1 13 13 LEU CB C 13 41.9 0.2 . 1 . . . . 13 LEU CB . 16995 1 129 . 1 1 13 13 LEU CD1 C 13 24.2 0.2 . 2 . . . . 13 LEU CD1 . 16995 1 130 . 1 1 13 13 LEU CD2 C 13 24.2 0.2 . 2 . . . . 13 LEU CD2 . 16995 1 131 . 1 1 13 13 LEU N N 15 119.1 0.2 . 1 . . . . 13 LEU N . 16995 1 132 . 1 1 14 14 LEU H H 1 7.64 0.02 . 1 . . . . 14 LEU H . 16995 1 133 . 1 1 14 14 LEU HA H 1 4.03 0.02 . 1 . . . . 14 LEU HA . 16995 1 134 . 1 1 14 14 LEU HB2 H 1 1.88 0.02 . 2 . . . . 14 LEU HB2 . 16995 1 135 . 1 1 14 14 LEU HB3 H 1 1.44 0.02 . 2 . . . . 14 LEU HB3 . 16995 1 136 . 1 1 14 14 LEU CA C 13 58.0 0.2 . 1 . . . . 14 LEU CA . 16995 1 137 . 1 1 14 14 LEU CB C 13 42.4 0.2 . 1 . . . . 14 LEU CB . 16995 1 138 . 1 1 14 14 LEU N N 15 118.7 0.2 . 1 . . . . 14 LEU N . 16995 1 139 . 1 1 15 15 ILE HA H 1 3.81 0.02 . 1 . . . . 15 ILE HA . 16995 1 140 . 1 1 15 15 ILE HB H 1 1.89 0.02 . 1 . . . . 15 ILE HB . 16995 1 141 . 1 1 15 15 ILE HD11 H 1 0.64 0.2 . 1 . . . . 15 ILE MD . 16995 1 142 . 1 1 15 15 ILE HD12 H 1 0.64 0.2 . 1 . . . . 15 ILE MD . 16995 1 143 . 1 1 15 15 ILE HD13 H 1 0.64 0.2 . 1 . . . . 15 ILE MD . 16995 1 144 . 1 1 15 15 ILE HG21 H 1 0.92 0.2 . 1 . . . . 15 ILE MG . 16995 1 145 . 1 1 15 15 ILE HG22 H 1 0.92 0.2 . 1 . . . . 15 ILE MG . 16995 1 146 . 1 1 15 15 ILE HG23 H 1 0.92 0.2 . 1 . . . . 15 ILE MG . 16995 1 147 . 1 1 15 15 ILE C C 13 177.4 0.2 . 1 . . . . 15 ILE C . 16995 1 148 . 1 1 15 15 ILE CA C 13 64.5 0.2 . 1 . . . . 15 ILE CA . 16995 1 149 . 1 1 15 15 ILE CB C 13 37.0 0.2 . 1 . . . . 15 ILE CB . 16995 1 150 . 1 1 15 15 ILE CD1 C 13 12.5 0.2 . 1 . . . . 15 ILE CD1 . 16995 1 151 . 1 1 15 15 ILE CG2 C 13 19.1 0.2 . 1 . . . . 15 ILE CG2 . 16995 1 152 . 1 1 16 16 ARG H H 1 8.75 0.02 . 1 . . . . 16 ARG H . 16995 1 153 . 1 1 16 16 ARG HA H 1 3.87 0.02 . 1 . . . . 16 ARG HA . 16995 1 154 . 1 1 16 16 ARG HB2 H 1 1.93 0.02 . 2 . . . . 16 ARG HB2 . 16995 1 155 . 1 1 16 16 ARG HB3 H 1 1.93 0.02 . 2 . . . . 16 ARG HB3 . 16995 1 156 . 1 1 16 16 ARG HD2 H 1 3.37 0.02 . 2 . . . . 16 ARG HD2 . 16995 1 157 . 1 1 16 16 ARG HD3 H 1 3.20 0.02 . 2 . . . . 16 ARG HD3 . 16995 1 158 . 1 1 16 16 ARG HG2 H 1 1.77 0.02 . 2 . . . . 16 ARG HG2 . 16995 1 159 . 1 1 16 16 ARG HG3 H 1 1.77 0.02 . 2 . . . . 16 ARG HG3 . 16995 1 160 . 1 1 16 16 ARG CA C 13 58.5 0.2 . 1 . . . . 16 ARG CA . 16995 1 161 . 1 1 16 16 ARG CB C 13 28.6 0.2 . 1 . . . . 16 ARG CB . 16995 1 162 . 1 1 16 16 ARG CD C 13 42.4 0.2 . 1 . . . . 16 ARG CD . 16995 1 163 . 1 1 16 16 ARG CG C 13 26.9 0.2 . 1 . . . . 16 ARG CG . 16995 1 164 . 1 1 16 16 ARG N N 15 121.8 0.2 . 1 . . . . 16 ARG N . 16995 1 165 . 1 1 17 17 ASN H H 1 8.16 0.02 . 1 . . . . 17 ASN H . 16995 1 166 . 1 1 17 17 ASN HA H 1 4.37 0.02 . 1 . . . . 17 ASN HA . 16995 1 167 . 1 1 17 17 ASN HB2 H 1 2.85 0.02 . 2 . . . . 17 ASN HB2 . 16995 1 168 . 1 1 17 17 ASN HB3 H 1 2.73 0.02 . 2 . . . . 17 ASN HB3 . 16995 1 169 . 1 1 17 17 ASN HD21 H 1 7.67 0.02 . 2 . . . . 17 ASN HD21 . 16995 1 170 . 1 1 17 17 ASN HD22 H 1 6.76 0.02 . 2 . . . . 17 ASN HD22 . 16995 1 171 . 1 1 17 17 ASN C C 13 176.6 0.2 . 1 . . . . 17 ASN C . 16995 1 172 . 1 1 17 17 ASN CA C 13 55.3 0.2 . 1 . . . . 17 ASN CA . 16995 1 173 . 1 1 17 17 ASN CB C 13 38.1 0.2 . 1 . . . . 17 ASN CB . 16995 1 174 . 1 1 17 17 ASN N N 15 115.0 0.2 . 1 . . . . 17 ASN N . 16995 1 175 . 1 1 17 17 ASN ND2 N 15 111.2 0.2 . 1 . . . . 17 ASN ND2 . 16995 1 176 . 1 1 18 18 ALA H H 1 7.11 0.02 . 1 . . . . 18 ALA H . 16995 1 177 . 1 1 18 18 ALA HA H 1 4.14 0.02 . 1 . . . . 18 ALA HA . 16995 1 178 . 1 1 18 18 ALA HB1 H 1 1.26 0.02 . 1 . . . . 18 ALA MB . 16995 1 179 . 1 1 18 18 ALA HB2 H 1 1.26 0.02 . 1 . . . . 18 ALA MB . 16995 1 180 . 1 1 18 18 ALA HB3 H 1 1.26 0.02 . 1 . . . . 18 ALA MB . 16995 1 181 . 1 1 18 18 ALA C C 13 176.7 0.2 . 1 . . . . 18 ALA C . 16995 1 182 . 1 1 18 18 ALA CA C 13 53.1 0.2 . 1 . . . . 18 ALA CA . 16995 1 183 . 1 1 18 18 ALA CB C 13 21.0 0.2 . 1 . . . . 18 ALA CB . 16995 1 184 . 1 1 18 18 ALA N N 15 119.7 0.2 . 1 . . . . 18 ALA N . 16995 1 185 . 1 1 19 19 PHE H H 1 8.05 0.02 . 1 . . . . 19 PHE H . 16995 1 186 . 1 1 19 19 PHE HA H 1 4.77 0.02 . 1 . . . . 19 PHE HA . 16995 1 187 . 1 1 19 19 PHE HB2 H 1 2.92 0.02 . 2 . . . . 19 PHE HB2 . 16995 1 188 . 1 1 19 19 PHE HB3 H 1 2.78 0.02 . 2 . . . . 19 PHE HB3 . 16995 1 189 . 1 1 19 19 PHE HD1 H 1 7.27 0.02 . 3 . . . . 19 PHE HD1 . 16995 1 190 . 1 1 19 19 PHE HD2 H 1 7.27 0.02 . 3 . . . . 19 PHE HD2 . 16995 1 191 . 1 1 19 19 PHE HE1 H 1 6.84 0.02 . 3 . . . . 19 PHE HE1 . 16995 1 192 . 1 1 19 19 PHE HE2 H 1 6.84 0.02 . 3 . . . . 19 PHE HE2 . 16995 1 193 . 1 1 19 19 PHE HZ H 1 7.01 0.02 . 1 . . . . 19 PHE HZ . 16995 1 194 . 1 1 19 19 PHE CA C 13 55.4 0.2 . 1 . . . . 19 PHE CA . 16995 1 195 . 1 1 19 19 PHE CB C 13 39.0 0.2 . 1 . . . . 19 PHE CB . 16995 1 196 . 1 1 19 19 PHE CD1 C 13 132.8 0.2 . 3 . . . . 19 PHE CD1 . 16995 1 197 . 1 1 19 19 PHE CD2 C 13 132.8 0.2 . 3 . . . . 19 PHE CD2 . 16995 1 198 . 1 1 19 19 PHE CE1 C 13 130.3 0.2 . 3 . . . . 19 PHE CE1 . 16995 1 199 . 1 1 19 19 PHE CE2 C 13 130.3 0.2 . 3 . . . . 19 PHE CE2 . 16995 1 200 . 1 1 19 19 PHE CZ C 13 128.3 0.2 . 1 . . . . 19 PHE CZ . 16995 1 201 . 1 1 19 19 PHE N N 15 117.2 0.2 . 1 . . . . 19 PHE N . 16995 1 202 . 1 1 20 20 PRO HA H 1 4.60 0.02 . 1 . . . . 20 PRO HA . 16995 1 203 . 1 1 20 20 PRO HB2 H 1 2.40 0.02 . 2 . . . . 20 PRO HB2 . 16995 1 204 . 1 1 20 20 PRO HB3 H 1 1.97 0.02 . 2 . . . . 20 PRO HB3 . 16995 1 205 . 1 1 20 20 PRO HD2 H 1 3.49 0.02 . 2 . . . . 20 PRO HD2 . 16995 1 206 . 1 1 20 20 PRO HD3 H 1 3.25 0.02 . 2 . . . . 20 PRO HD3 . 16995 1 207 . 1 1 20 20 PRO HG2 H 1 1.97 0.02 . 2 . . . . 20 PRO HG2 . 16995 1 208 . 1 1 20 20 PRO HG3 H 1 1.97 0.02 . 2 . . . . 20 PRO HG3 . 16995 1 209 . 1 1 20 20 PRO C C 13 178.6 0.2 . 1 . . . . 20 PRO C . 16995 1 210 . 1 1 20 20 PRO CA C 13 65.2 0.2 . 1 . . . . 20 PRO CA . 16995 1 211 . 1 1 20 20 PRO CB C 13 32.2 0.2 . 1 . . . . 20 PRO CB . 16995 1 212 . 1 1 20 20 PRO CD C 13 50.0 0.2 . 1 . . . . 20 PRO CD . 16995 1 213 . 1 1 20 20 PRO CG C 13 27.5 0.2 . 1 . . . . 20 PRO CG . 16995 1 214 . 1 1 21 21 GLU H H 1 8.28 0.02 . 1 . . . . 21 GLU H . 16995 1 215 . 1 1 21 21 GLU HA H 1 4.58 0.02 . 1 . . . . 21 GLU HA . 16995 1 216 . 1 1 21 21 GLU HB2 H 1 2.29 0.02 . 2 . . . . 21 GLU HB2 . 16995 1 217 . 1 1 21 21 GLU HB3 H 1 2.29 0.02 . 2 . . . . 21 GLU HB3 . 16995 1 218 . 1 1 21 21 GLU C C 13 175.9 0.2 . 1 . . . . 21 GLU C . 16995 1 219 . 1 1 21 21 GLU CA C 13 55.1 0.2 . 1 . . . . 21 GLU CA . 16995 1 220 . 1 1 21 21 GLU CB C 13 29.7 0.2 . 1 . . . . 21 GLU CB . 16995 1 221 . 1 1 21 21 GLU N N 15 116.2 0.2 . 1 . . . . 21 GLU N . 16995 1 222 . 1 1 22 22 ALA H H 1 7.43 0.02 . 1 . . . . 22 ALA H . 16995 1 223 . 1 1 22 22 ALA HA H 1 4.60 0.02 . 1 . . . . 22 ALA HA . 16995 1 224 . 1 1 22 22 ALA HB1 H 1 1.40 0.02 . 1 . . . . 22 ALA MB . 16995 1 225 . 1 1 22 22 ALA HB2 H 1 1.40 0.02 . 1 . . . . 22 ALA MB . 16995 1 226 . 1 1 22 22 ALA HB3 H 1 1.40 0.02 . 1 . . . . 22 ALA MB . 16995 1 227 . 1 1 22 22 ALA C C 13 177.8 0.2 . 1 . . . . 22 ALA C . 16995 1 228 . 1 1 22 22 ALA CA C 13 52.3 0.2 . 1 . . . . 22 ALA CA . 16995 1 229 . 1 1 22 22 ALA CB C 13 22.4 0.2 . 1 . . . . 22 ALA CB . 16995 1 230 . 1 1 22 22 ALA N N 15 123.2 0.2 . 1 . . . . 22 ALA N . 16995 1 231 . 1 1 23 23 GLU H H 1 8.53 0.02 . 1 . . . . 23 GLU H . 16995 1 232 . 1 1 23 23 GLU HA H 1 4.63 0.02 . 1 . . . . 23 GLU HA . 16995 1 233 . 1 1 23 23 GLU HB2 H 1 2.00 0.02 . 2 . . . . 23 GLU HB2 . 16995 1 234 . 1 1 23 23 GLU HB3 H 1 1.94 0.02 . 2 . . . . 23 GLU HB3 . 16995 1 235 . 1 1 23 23 GLU HG2 H 1 2.25 0.02 . 2 . . . . 23 GLU HG2 . 16995 1 236 . 1 1 23 23 GLU HG3 H 1 2.17 0.02 . 2 . . . . 23 GLU HG3 . 16995 1 237 . 1 1 23 23 GLU C C 13 176.0 0.2 . 1 . . . . 23 GLU C . 16995 1 238 . 1 1 23 23 GLU CA C 13 54.8 0.2 . 1 . . . . 23 GLU CA . 16995 1 239 . 1 1 23 23 GLU CB C 13 29.9 0.2 . 1 . . . . 23 GLU CB . 16995 1 240 . 1 1 23 23 GLU CG C 13 35.7 0.2 . 1 . . . . 23 GLU CG . 16995 1 241 . 1 1 23 23 GLU N N 15 120.4 0.2 . 1 . . . . 23 GLU N . 16995 1 242 . 1 1 24 24 ILE H H 1 8.73 0.02 . 1 . . . . 24 ILE H . 16995 1 243 . 1 1 24 24 ILE HA H 1 5.01 0.02 . 1 . . . . 24 ILE HA . 16995 1 244 . 1 1 24 24 ILE HB H 1 1.61 0.02 . 1 . . . . 24 ILE HB . 16995 1 245 . 1 1 24 24 ILE HD11 H 1 0.92 0.02 . 1 . . . . 24 ILE MD . 16995 1 246 . 1 1 24 24 ILE HD12 H 1 0.92 0.02 . 1 . . . . 24 ILE MD . 16995 1 247 . 1 1 24 24 ILE HD13 H 1 0.92 0.02 . 1 . . . . 24 ILE MD . 16995 1 248 . 1 1 24 24 ILE HG21 H 1 0.77 0.02 . 1 . . . . 24 ILE MG . 16995 1 249 . 1 1 24 24 ILE HG22 H 1 0.77 0.02 . 1 . . . . 24 ILE MG . 16995 1 250 . 1 1 24 24 ILE HG23 H 1 0.77 0.02 . 1 . . . . 24 ILE MG . 16995 1 251 . 1 1 24 24 ILE C C 13 175.4 0.2 . 1 . . . . 24 ILE C . 16995 1 252 . 1 1 24 24 ILE CA C 13 60.1 0.2 . 1 . . . . 24 ILE CA . 16995 1 253 . 1 1 24 24 ILE CB C 13 42.0 0.2 . 1 . . . . 24 ILE CB . 16995 1 254 . 1 1 24 24 ILE CD1 C 13 14.5 0.2 . 1 . . . . 24 ILE CD1 . 16995 1 255 . 1 1 24 24 ILE CG2 C 13 17.6 0.2 . 1 . . . . 24 ILE CG2 . 16995 1 256 . 1 1 24 24 ILE N N 15 127.9 0.2 . 1 . . . . 24 ILE N . 16995 1 257 . 1 1 25 25 THR H H 1 9.09 0.02 . 1 . . . . 25 THR H . 16995 1 258 . 1 1 25 25 THR HA H 1 4.57 0.02 . 1 . . . . 25 THR HA . 16995 1 259 . 1 1 25 25 THR HB H 1 3.93 0.02 . 1 . . . . 25 THR HB . 16995 1 260 . 1 1 25 25 THR HG21 H 1 1.16 0.02 . 1 . . . . 25 THR MG . 16995 1 261 . 1 1 25 25 THR HG22 H 1 1.16 0.02 . 1 . . . . 25 THR MG . 16995 1 262 . 1 1 25 25 THR HG23 H 1 1.16 0.02 . 1 . . . . 25 THR MG . 16995 1 263 . 1 1 25 25 THR C C 13 173.4 0.2 . 1 . . . . 25 THR C . 16995 1 264 . 1 1 25 25 THR CA C 13 61.9 0.2 . 1 . . . . 25 THR CA . 16995 1 265 . 1 1 25 25 THR CB C 13 71.1 0.2 . 1 . . . . 25 THR CB . 16995 1 266 . 1 1 25 25 THR CG2 C 13 21.4 0.2 . 1 . . . . 25 THR CG2 . 16995 1 267 . 1 1 25 25 THR N N 15 122.9 0.2 . 1 . . . . 25 THR N . 16995 1 268 . 1 1 26 26 VAL H H 1 9.38 0.02 . 1 . . . . 26 VAL H . 16995 1 269 . 1 1 26 26 VAL HB H 1 2.09 0.02 . 1 . . . . 26 VAL HB . 16995 1 270 . 1 1 26 26 VAL HG11 H 1 0.77 0.02 . 2 . . . . 26 VAL MG1 . 16995 1 271 . 1 1 26 26 VAL HG12 H 1 0.77 0.02 . 2 . . . . 26 VAL MG1 . 16995 1 272 . 1 1 26 26 VAL HG13 H 1 0.77 0.02 . 2 . . . . 26 VAL MG1 . 16995 1 273 . 1 1 26 26 VAL HG21 H 1 0.77 0.02 . 2 . . . . 26 VAL MG2 . 16995 1 274 . 1 1 26 26 VAL HG22 H 1 0.77 0.02 . 2 . . . . 26 VAL MG2 . 16995 1 275 . 1 1 26 26 VAL HG23 H 1 0.77 0.02 . 2 . . . . 26 VAL MG2 . 16995 1 276 . 1 1 26 26 VAL C C 13 174.5 0.2 . 1 . . . . 26 VAL C . 16995 1 277 . 1 1 26 26 VAL CA C 13 61.5 0.2 . 1 . . . . 26 VAL CA . 16995 1 278 . 1 1 26 26 VAL CB C 13 33.4 0.2 . 1 . . . . 26 VAL CB . 16995 1 279 . 1 1 26 26 VAL CG1 C 13 21.2 0.2 . 2 . . . . 26 VAL CG1 . 16995 1 280 . 1 1 26 26 VAL CG2 C 13 21.2 0.2 . 2 . . . . 26 VAL CG2 . 16995 1 281 . 1 1 26 26 VAL N N 15 129.8 0.2 . 1 . . . . 26 VAL N . 16995 1 282 . 1 1 27 27 THR H H 1 9.05 0.02 . 1 . . . . 27 THR H . 16995 1 283 . 1 1 27 27 THR HA H 1 4.79 0.02 . 1 . . . . 27 THR HA . 16995 1 284 . 1 1 27 27 THR HB H 1 4.07 0.02 . 1 . . . . 27 THR HB . 16995 1 285 . 1 1 27 27 THR HG21 H 1 1.20 0.02 . 1 . . . . 27 THR MG . 16995 1 286 . 1 1 27 27 THR HG22 H 1 1.20 0.02 . 1 . . . . 27 THR MG . 16995 1 287 . 1 1 27 27 THR HG23 H 1 1.20 0.02 . 1 . . . . 27 THR MG . 16995 1 288 . 1 1 27 27 THR C C 13 173.7 0.2 . 1 . . . . 27 THR C . 16995 1 289 . 1 1 27 27 THR CA C 13 60.8 0.2 . 1 . . . . 27 THR CA . 16995 1 290 . 1 1 27 27 THR CB C 13 71.2 0.2 . 1 . . . . 27 THR CB . 16995 1 291 . 1 1 27 27 THR CG2 C 13 21.5 0.2 . 1 . . . . 27 THR CG2 . 16995 1 292 . 1 1 27 27 THR N N 15 121.3 0.2 . 1 . . . . 27 THR N . 16995 1 293 . 1 1 28 28 SER H H 1 8.96 0.02 . 1 . . . . 28 SER H . 16995 1 294 . 1 1 28 28 SER HA H 1 4.61 0.02 . 1 . . . . 28 SER HA . 16995 1 295 . 1 1 28 28 SER HB2 H 1 3.87 0.02 . 2 . . . . 28 SER HB2 . 16995 1 296 . 1 1 28 28 SER HB3 H 1 3.83 0.02 . 2 . . . . 28 SER HB3 . 16995 1 297 . 1 1 28 28 SER C C 13 174.2 0.2 . 1 . . . . 28 SER C . 16995 1 298 . 1 1 28 28 SER CA C 13 57.9 0.2 . 1 . . . . 28 SER CA . 16995 1 299 . 1 1 28 28 SER CB C 13 63.8 0.2 . 1 . . . . 28 SER CB . 16995 1 300 . 1 1 28 28 SER N N 15 120.8 0.2 . 1 . . . . 28 SER N . 16995 1 301 . 1 1 29 29 LEU H H 1 8.07 0.02 . 1 . . . . 29 LEU H . 16995 1 302 . 1 1 29 29 LEU HA H 1 4.43 0.02 . 1 . . . . 29 LEU HA . 16995 1 303 . 1 1 29 29 LEU HD11 H 1 0.76 0.02 . 2 . . . . 29 LEU MD1 . 16995 1 304 . 1 1 29 29 LEU HD12 H 1 0.76 0.02 . 2 . . . . 29 LEU MD1 . 16995 1 305 . 1 1 29 29 LEU HD13 H 1 0.76 0.02 . 2 . . . . 29 LEU MD1 . 16995 1 306 . 1 1 29 29 LEU HD21 H 1 0.76 0.02 . 2 . . . . 29 LEU MD2 . 16995 1 307 . 1 1 29 29 LEU HD22 H 1 0.76 0.02 . 2 . . . . 29 LEU MD2 . 16995 1 308 . 1 1 29 29 LEU HD23 H 1 0.76 0.02 . 2 . . . . 29 LEU MD2 . 16995 1 309 . 1 1 29 29 LEU C C 13 174.2 0.2 . 1 . . . . 29 LEU C . 16995 1 310 . 1 1 29 29 LEU CA C 13 54.5 0.2 . 1 . . . . 29 LEU CA . 16995 1 311 . 1 1 29 29 LEU CD1 C 13 22.8 0.2 . 2 . . . . 29 LEU CD1 . 16995 1 312 . 1 1 29 29 LEU CD2 C 13 22.8 0.2 . 2 . . . . 29 LEU CD2 . 16995 1 313 . 1 1 29 29 LEU N N 15 126.5 0.2 . 1 . . . . 29 LEU N . 16995 1 314 . 1 1 30 30 VAL H H 1 8.20 0.02 . 1 . . . . 30 VAL H . 16995 1 315 . 1 1 30 30 VAL HA H 1 3.98 0.02 . 1 . . . . 30 VAL HA . 16995 1 316 . 1 1 30 30 VAL HB H 1 2.01 0.02 . 1 . . . . 30 VAL HB . 16995 1 317 . 1 1 30 30 VAL HG11 H 1 0.89 0.02 . 2 . . . . 30 VAL MG1 . 16995 1 318 . 1 1 30 30 VAL HG12 H 1 0.89 0.02 . 2 . . . . 30 VAL MG1 . 16995 1 319 . 1 1 30 30 VAL HG13 H 1 0.89 0.02 . 2 . . . . 30 VAL MG1 . 16995 1 320 . 1 1 30 30 VAL HG21 H 1 0.89 0.02 . 2 . . . . 30 VAL MG2 . 16995 1 321 . 1 1 30 30 VAL HG22 H 1 0.89 0.02 . 2 . . . . 30 VAL MG2 . 16995 1 322 . 1 1 30 30 VAL HG23 H 1 0.89 0.02 . 2 . . . . 30 VAL MG2 . 16995 1 323 . 1 1 30 30 VAL C C 13 176.5 0.2 . 1 . . . . 30 VAL C . 16995 1 324 . 1 1 30 30 VAL CA C 13 63.0 0.2 . 1 . . . . 30 VAL CA . 16995 1 325 . 1 1 30 30 VAL CB C 13 32.4 0.2 . 1 . . . . 30 VAL CB . 16995 1 326 . 1 1 30 30 VAL CG1 C 13 20.9 0.2 . 2 . . . . 30 VAL CG1 . 16995 1 327 . 1 1 30 30 VAL CG2 C 13 20.9 0.2 . 2 . . . . 30 VAL CG2 . 16995 1 328 . 1 1 30 30 VAL N N 15 120.0 0.2 . 1 . . . . 30 VAL N . 16995 1 329 . 1 1 31 31 GLY H H 1 8.50 0.02 . 1 . . . . 31 GLY H . 16995 1 330 . 1 1 31 31 GLY HA2 H 1 4.14 0.02 . 2 . . . . 31 GLY HA2 . 16995 1 331 . 1 1 31 31 GLY HA3 H 1 3.76 0.02 . 2 . . . . 31 GLY HA3 . 16995 1 332 . 1 1 31 31 GLY C C 13 173.7 0.2 . 1 . . . . 31 GLY C . 16995 1 333 . 1 1 31 31 GLY CA C 13 45.3 0.2 . 1 . . . . 31 GLY CA . 16995 1 334 . 1 1 31 31 GLY N N 15 113.3 0.2 . 1 . . . . 31 GLY N . 16995 1 335 . 1 1 32 32 ASP H H 1 7.97 0.02 . 1 . . . . 32 ASP H . 16995 1 336 . 1 1 32 32 ASP HA H 1 4.65 0.2 . 1 . . . . 32 ASP HA . 16995 1 337 . 1 1 32 32 ASP HB2 H 1 2.54 0.02 . 2 . . . . 32 ASP HB2 . 16995 1 338 . 1 1 32 32 ASP HB3 H 1 2.54 0.02 . 2 . . . . 32 ASP HB3 . 16995 1 339 . 1 1 32 32 ASP C C 13 175.5 0.2 . 1 . . . . 32 ASP C . 16995 1 340 . 1 1 32 32 ASP CA C 13 53.7 0.2 . 1 . . . . 32 ASP CA . 16995 1 341 . 1 1 32 32 ASP CB C 13 41.6 0.2 . 1 . . . . 32 ASP CB . 16995 1 342 . 1 1 32 32 ASP N N 15 120.0 0.2 . 1 . . . . 32 ASP N . 16995 1 343 . 1 1 33 33 ASN H H 1 8.46 0.02 . 1 . . . . 33 ASN H . 16995 1 344 . 1 1 33 33 ASN HA H 1 4.70 0.02 . 1 . . . . 33 ASN HA . 16995 1 345 . 1 1 33 33 ASN HB2 H 1 2.84 0.02 . 2 . . . . 33 ASN HB2 . 16995 1 346 . 1 1 33 33 ASN HB3 H 1 2.68 0.02 . 2 . . . . 33 ASN HB3 . 16995 1 347 . 1 1 33 33 ASN HD21 H 1 7.55 0.02 . 2 . . . . 33 ASN HD21 . 16995 1 348 . 1 1 33 33 ASN HD22 H 1 6.89 0.02 . 2 . . . . 33 ASN HD22 . 16995 1 349 . 1 1 33 33 ASN C C 13 174.8 0.2 . 1 . . . . 33 ASN C . 16995 1 350 . 1 1 33 33 ASN CA C 13 53.7 0.2 . 1 . . . . 33 ASN CA . 16995 1 351 . 1 1 33 33 ASN CB C 13 38.6 0.2 . 1 . . . . 33 ASN CB . 16995 1 352 . 1 1 33 33 ASN N N 15 117.4 0.2 . 1 . . . . 33 ASN N . 16995 1 353 . 1 1 33 33 ASN ND2 N 15 112.7 0.2 . 1 . . . . 33 ASN ND2 . 16995 1 354 . 1 1 34 34 ASN H H 1 8.53 0.02 . 1 . . . . 34 ASN H . 16995 1 355 . 1 1 34 34 ASN HA H 1 4.65 0.02 . 1 . . . . 34 ASN HA . 16995 1 356 . 1 1 34 34 ASN HB2 H 1 2.84 0.02 . 2 . . . . 34 ASN HB2 . 16995 1 357 . 1 1 34 34 ASN HB3 H 1 2.84 0.02 . 2 . . . . 34 ASN HB3 . 16995 1 358 . 1 1 34 34 ASN C C 13 173.6 0.2 . 1 . . . . 34 ASN C . 16995 1 359 . 1 1 34 34 ASN CA C 13 53.5 0.2 . 1 . . . . 34 ASN CA . 16995 1 360 . 1 1 34 34 ASN CB C 13 38.9 0.2 . 1 . . . . 34 ASN CB . 16995 1 361 . 1 1 34 34 ASN N N 15 116.1 0.2 . 1 . . . . 34 ASN N . 16995 1 362 . 1 1 35 35 HIS H H 1 8.05 0.02 . 1 . . . . 35 HIS H . 16995 1 363 . 1 1 35 35 HIS N N 15 118.5 0.2 . 1 . . . . 35 HIS N . 16995 1 364 . 1 1 36 36 TYR HA H 1 5.37 0.02 . 1 . . . . 36 TYR HA . 16995 1 365 . 1 1 36 36 TYR HB2 H 1 2.82 0.02 . 2 . . . . 36 TYR HB2 . 16995 1 366 . 1 1 36 36 TYR HB3 H 1 2.37 0.02 . 2 . . . . 36 TYR HB3 . 16995 1 367 . 1 1 36 36 TYR HD1 H 1 6.79 0.02 . 3 . . . . 36 TYR HD1 . 16995 1 368 . 1 1 36 36 TYR HD2 H 1 6.79 0.02 . 3 . . . . 36 TYR HD2 . 16995 1 369 . 1 1 36 36 TYR HE1 H 1 6.65 0.02 . 3 . . . . 36 TYR HE1 . 16995 1 370 . 1 1 36 36 TYR HE2 H 1 6.65 0.02 . 3 . . . . 36 TYR HE2 . 16995 1 371 . 1 1 36 36 TYR C C 13 174.8 0.2 . 1 . . . . 36 TYR C . 16995 1 372 . 1 1 36 36 TYR CA C 13 57.4 0.2 . 1 . . . . 36 TYR CA . 16995 1 373 . 1 1 36 36 TYR CB C 13 43.2 0.2 . 1 . . . . 36 TYR CB . 16995 1 374 . 1 1 36 36 TYR CD1 C 13 133.1 0.2 . 3 . . . . 36 TYR CD1 . 16995 1 375 . 1 1 36 36 TYR CD2 C 13 133.1 0.2 . 3 . . . . 36 TYR CD2 . 16995 1 376 . 1 1 36 36 TYR CE1 C 13 117.8 0.2 . 3 . . . . 36 TYR CE1 . 16995 1 377 . 1 1 36 36 TYR CE2 C 13 117.8 0.2 . 3 . . . . 36 TYR CE2 . 16995 1 378 . 1 1 37 37 SER H H 1 9.13 0.02 . 1 . . . . 37 SER H . 16995 1 379 . 1 1 37 37 SER HA H 1 5.39 0.02 . 1 . . . . 37 SER HA . 16995 1 380 . 1 1 37 37 SER HB2 H 1 3.76 0.02 . 2 . . . . 37 SER HB2 . 16995 1 381 . 1 1 37 37 SER HB3 H 1 3.76 0.02 . 2 . . . . 37 SER HB3 . 16995 1 382 . 1 1 37 37 SER CA C 13 55.9 0.2 . 1 . . . . 37 SER CA . 16995 1 383 . 1 1 37 37 SER CB C 13 64.3 0.2 . 1 . . . . 37 SER CB . 16995 1 384 . 1 1 37 37 SER N N 15 115.5 0.2 . 1 . . . . 37 SER N . 16995 1 385 . 1 1 39 39 LYS HA H 1 5.63 0.02 . 1 . . . . 39 LYS HA . 16995 1 386 . 1 1 39 39 LYS HB2 H 1 1.77 0.02 . 2 . . . . 39 LYS HB2 . 16995 1 387 . 1 1 39 39 LYS HB3 H 1 1.58 0.02 . 2 . . . . 39 LYS HB3 . 16995 1 388 . 1 1 39 39 LYS HD2 H 1 1.56 0.02 . 2 . . . . 39 LYS HD2 . 16995 1 389 . 1 1 39 39 LYS HD3 H 1 1.52 0.02 . 2 . . . . 39 LYS HD3 . 16995 1 390 . 1 1 39 39 LYS HE2 H 1 2.76 0.02 . 2 . . . . 39 LYS HE2 . 16995 1 391 . 1 1 39 39 LYS HE3 H 1 2.76 0.02 . 2 . . . . 39 LYS HE3 . 16995 1 392 . 1 1 39 39 LYS HG2 H 1 1.08 0.02 . 2 . . . . 39 LYS HG2 . 16995 1 393 . 1 1 39 39 LYS HG3 H 1 1.08 0.02 . 2 . . . . 39 LYS HG3 . 16995 1 394 . 1 1 39 39 LYS C C 13 175.2 0.2 . 1 . . . . 39 LYS C . 16995 1 395 . 1 1 39 39 LYS CA C 13 54.2 0.2 . 1 . . . . 39 LYS CA . 16995 1 396 . 1 1 39 39 LYS CB C 13 34.9 0.2 . 1 . . . . 39 LYS CB . 16995 1 397 . 1 1 39 39 LYS CD C 13 29.6 0.2 . 1 . . . . 39 LYS CD . 16995 1 398 . 1 1 39 39 LYS CE C 13 41.7 0.2 . 1 . . . . 39 LYS CE . 16995 1 399 . 1 1 39 39 LYS CG C 13 24.9 0.2 . 1 . . . . 39 LYS CG . 16995 1 400 . 1 1 40 40 VAL H H 1 8.41 0.02 . 1 . . . . 40 VAL H . 16995 1 401 . 1 1 40 40 VAL HA H 1 4.67 0.02 . 1 . . . . 40 VAL HA . 16995 1 402 . 1 1 40 40 VAL HB H 1 1.78 0.02 . 1 . . . . 40 VAL HB . 16995 1 403 . 1 1 40 40 VAL HG11 H 1 0.64 0.02 . 2 . . . . 40 VAL MG1 . 16995 1 404 . 1 1 40 40 VAL HG12 H 1 0.64 0.02 . 2 . . . . 40 VAL MG1 . 16995 1 405 . 1 1 40 40 VAL HG13 H 1 0.64 0.02 . 2 . . . . 40 VAL MG1 . 16995 1 406 . 1 1 40 40 VAL HG21 H 1 0.205 0.02 . 2 . . . . 40 VAL MG2 . 16995 1 407 . 1 1 40 40 VAL HG22 H 1 0.205 0.02 . 2 . . . . 40 VAL MG2 . 16995 1 408 . 1 1 40 40 VAL HG23 H 1 0.205 0.02 . 2 . . . . 40 VAL MG2 . 16995 1 409 . 1 1 40 40 VAL C C 13 173.4 0.2 . 1 . . . . 40 VAL C . 16995 1 410 . 1 1 40 40 VAL CA C 13 61.4 . . 1 . . . . 40 VAL CA . 16995 1 411 . 1 1 40 40 VAL CB C 13 35.3 0.2 . 1 . . . . 40 VAL CB . 16995 1 412 . 1 1 40 40 VAL CG1 C 13 21.5 0.2 . 2 . . . . 40 VAL CG1 . 16995 1 413 . 1 1 40 40 VAL CG2 C 13 20.9 0.2 . 2 . . . . 40 VAL CG2 . 16995 1 414 . 1 1 40 40 VAL N N 15 124.8 0.2 . 1 . . . . 40 VAL N . 16995 1 415 . 1 1 41 41 ILE H H 1 8.71 0.02 . 1 . . . . 41 ILE H . 16995 1 416 . 1 1 41 41 ILE HA H 1 5.07 0.02 . 1 . . . . 41 ILE HA . 16995 1 417 . 1 1 41 41 ILE HB H 1 2.05 0.02 . 1 . . . . 41 ILE HB . 16995 1 418 . 1 1 41 41 ILE HD11 H 1 0.59 0.02 . 1 . . . . 41 ILE MD . 16995 1 419 . 1 1 41 41 ILE HD12 H 1 0.59 0.02 . 1 . . . . 41 ILE MD . 16995 1 420 . 1 1 41 41 ILE HD13 H 1 0.59 0.02 . 1 . . . . 41 ILE MD . 16995 1 421 . 1 1 41 41 ILE HG12 H 1 1.34 0.02 . 2 . . . . 41 ILE HG12 . 16995 1 422 . 1 1 41 41 ILE HG13 H 1 1.19 0.02 . 2 . . . . 41 ILE HG13 . 16995 1 423 . 1 1 41 41 ILE HG21 H 1 0.64 0.02 . 1 . . . . 41 ILE MG . 16995 1 424 . 1 1 41 41 ILE HG22 H 1 0.64 0.02 . 1 . . . . 41 ILE MG . 16995 1 425 . 1 1 41 41 ILE HG23 H 1 0.64 0.02 . 1 . . . . 41 ILE MG . 16995 1 426 . 1 1 41 41 ILE CA C 13 57.5 0.2 . 1 . . . . 41 ILE CA . 16995 1 427 . 1 1 41 41 ILE CB C 13 37.1 0.2 . 1 . . . . 41 ILE CB . 16995 1 428 . 1 1 41 41 ILE CD1 C 13 9.5 0.2 . 1 . . . . 41 ILE CD1 . 16995 1 429 . 1 1 41 41 ILE CG1 C 13 26.0 0.2 . 1 . . . . 41 ILE CG1 . 16995 1 430 . 1 1 41 41 ILE CG2 C 13 16.8 0.2 . 1 . . . . 41 ILE CG2 . 16995 1 431 . 1 1 41 41 ILE N N 15 127.7 0.2 . 1 . . . . 41 ILE N . 16995 1 432 . 1 1 42 42 SER H H 1 8.43 0.02 . 1 . . . . 42 SER H . 16995 1 433 . 1 1 42 42 SER HA H 1 5.03 0.02 . 1 . . . . 42 SER HA . 16995 1 434 . 1 1 42 42 SER HB2 H 1 3.33 0.02 . 2 . . . . 42 SER HB2 . 16995 1 435 . 1 1 42 42 SER HB3 H 1 2.42 0.02 . 2 . . . . 42 SER HB3 . 16995 1 436 . 1 1 42 42 SER C C 13 175.8 0.2 . 1 . . . . 42 SER C . 16995 1 437 . 1 1 42 42 SER CA C 13 56.0 0.2 . 1 . . . . 42 SER CA . 16995 1 438 . 1 1 42 42 SER CB C 13 65.4 0.2 . 1 . . . . 42 SER CB . 16995 1 439 . 1 1 42 42 SER N N 15 116.7 0.2 . 1 . . . . 42 SER N . 16995 1 440 . 1 1 43 43 SER H H 1 9.68 0.02 . 1 . . . . 43 SER H . 16995 1 441 . 1 1 43 43 SER HA H 1 4.67 0.02 . 1 . . . . 43 SER HA . 16995 1 442 . 1 1 43 43 SER HB2 H 1 4.02 0.02 . 2 . . . . 43 SER HB2 . 16995 1 443 . 1 1 43 43 SER HB3 H 1 4.02 0.02 . 2 . . . . 43 SER HB3 . 16995 1 444 . 1 1 43 43 SER C C 13 177.1 0.2 . 1 . . . . 43 SER C . 16995 1 445 . 1 1 43 43 SER CA C 13 61.1 0.2 . 1 . . . . 43 SER CA . 16995 1 446 . 1 1 43 43 SER CB C 13 62.7 0.2 . 1 . . . . 43 SER CB . 16995 1 447 . 1 1 43 43 SER N N 15 127.6 0.2 . 1 . . . . 43 SER N . 16995 1 448 . 1 1 44 44 GLN H H 1 8.86 0.02 . 1 . . . . 44 GLN H . 16995 1 449 . 1 1 44 44 GLN HA H 1 4.16 0.02 . 1 . . . . 44 GLN HA . 16995 1 450 . 1 1 44 44 GLN HB2 H 1 1.51 0.02 . 2 . . . . 44 GLN HB2 . 16995 1 451 . 1 1 44 44 GLN HB3 H 1 1.51 0.02 . 2 . . . . 44 GLN HB3 . 16995 1 452 . 1 1 44 44 GLN HE21 H 1 7.85 0.02 . 2 . . . . 44 GLN HE21 . 16995 1 453 . 1 1 44 44 GLN HE22 H 1 6.71 0.02 . 2 . . . . 44 GLN HE22 . 16995 1 454 . 1 1 44 44 GLN HG2 H 1 2.36 0.02 . 2 . . . . 44 GLN HG2 . 16995 1 455 . 1 1 44 44 GLN HG3 H 1 2.23 0.02 . 2 . . . . 44 GLN HG3 . 16995 1 456 . 1 1 44 44 GLN C C 13 176.4 0.2 . 1 . . . . 44 GLN C . 16995 1 457 . 1 1 44 44 GLN CA C 13 58.1 0.2 . 1 . . . . 44 GLN CA . 16995 1 458 . 1 1 44 44 GLN CB C 13 29.0 0.2 . 1 . . . . 44 GLN CB . 16995 1 459 . 1 1 44 44 GLN CG C 13 35.0 0.2 . 1 . . . . 44 GLN CG . 16995 1 460 . 1 1 44 44 GLN N N 15 121.3 0.2 . 1 . . . . 44 GLN N . 16995 1 461 . 1 1 44 44 GLN NE2 N 15 114.3 0.2 . 1 . . . . 44 GLN NE2 . 16995 1 462 . 1 1 45 45 PHE H H 1 7.12 0.02 . 1 . . . . 45 PHE H . 16995 1 463 . 1 1 45 45 PHE HB2 H 1 3.36 0.02 . 2 . . . . 45 PHE HB2 . 16995 1 464 . 1 1 45 45 PHE HB3 H 1 3.17 0.02 . 2 . . . . 45 PHE HB3 . 16995 1 465 . 1 1 45 45 PHE HD1 H 1 7.42 0.02 . 3 . . . . 45 PHE HD1 . 16995 1 466 . 1 1 45 45 PHE HD2 H 1 7.42 0.02 . 3 . . . . 45 PHE HD2 . 16995 1 467 . 1 1 45 45 PHE HE1 H 1 7.44 0.02 . 3 . . . . 45 PHE HE1 . 16995 1 468 . 1 1 45 45 PHE HE2 H 1 7.44 0.02 . 3 . . . . 45 PHE HE2 . 16995 1 469 . 1 1 45 45 PHE HZ H 1 6.58 0.02 . 1 . . . . 45 PHE HZ . 16995 1 470 . 1 1 45 45 PHE C C 13 175.9 0.2 . 1 . . . . 45 PHE C . 16995 1 471 . 1 1 45 45 PHE CA C 13 54.4 0.2 . 1 . . . . 45 PHE CA . 16995 1 472 . 1 1 45 45 PHE CB C 13 37.8 0.2 . 1 . . . . 45 PHE CB . 16995 1 473 . 1 1 45 45 PHE CD1 C 13 129.9 0.2 . 3 . . . . 45 PHE CD1 . 16995 1 474 . 1 1 45 45 PHE CD2 C 13 129.9 0.2 . 3 . . . . 45 PHE CD2 . 16995 1 475 . 1 1 45 45 PHE CE1 C 13 132.0 0.2 . 3 . . . . 45 PHE CE1 . 16995 1 476 . 1 1 45 45 PHE CE2 C 13 132.0 0.2 . 3 . . . . 45 PHE CE2 . 16995 1 477 . 1 1 45 45 PHE CZ C 13 129.5 0.2 . 1 . . . . 45 PHE CZ . 16995 1 478 . 1 1 45 45 PHE N N 15 114.3 0.2 . 1 . . . . 45 PHE N . 16995 1 479 . 1 1 46 46 GLN H H 1 7.43 0.02 . 1 . . . . 46 GLN H . 16995 1 480 . 1 1 46 46 GLN HA H 1 4.23 0.02 . 1 . . . . 46 GLN HA . 16995 1 481 . 1 1 46 46 GLN HB2 H 1 2.19 0.02 . 2 . . . . 46 GLN HB2 . 16995 1 482 . 1 1 46 46 GLN HB3 H 1 2.19 0.02 . 2 . . . . 46 GLN HB3 . 16995 1 483 . 1 1 46 46 GLN HG2 H 1 2.58 0.02 . 2 . . . . 46 GLN HG2 . 16995 1 484 . 1 1 46 46 GLN HG3 H 1 2.54 0.02 . 2 . . . . 46 GLN HG3 . 16995 1 485 . 1 1 46 46 GLN C C 13 177.2 0.2 . 1 . . . . 46 GLN C . 16995 1 486 . 1 1 46 46 GLN CA C 13 57.9 0.2 . 1 . . . . 46 GLN CA . 16995 1 487 . 1 1 46 46 GLN CB C 13 28.4 0.2 . 1 . . . . 46 GLN CB . 16995 1 488 . 1 1 46 46 GLN CG C 13 33.5 0.2 . 1 . . . . 46 GLN CG . 16995 1 489 . 1 1 46 46 GLN N N 15 121.3 0.2 . 1 . . . . 46 GLN N . 16995 1 490 . 1 1 47 47 GLY H H 1 9.05 0.02 . 1 . . . . 47 GLY H . 16995 1 491 . 1 1 47 47 GLY HA2 H 1 4.16 0.02 . 2 . . . . 47 GLY HA2 . 16995 1 492 . 1 1 47 47 GLY HA3 H 1 3.79 0.02 . 2 . . . . 47 GLY HA3 . 16995 1 493 . 1 1 47 47 GLY C C 13 173.8 0.2 . 1 . . . . 47 GLY C . 16995 1 494 . 1 1 47 47 GLY CA C 13 45.8 0.2 . 1 . . . . 47 GLY CA . 16995 1 495 . 1 1 47 47 GLY N N 15 113.8 0.2 . 1 . . . . 47 GLY N . 16995 1 496 . 1 1 48 48 LYS H H 1 7.68 0.02 . 1 . . . . 48 LYS H . 16995 1 497 . 1 1 48 48 LYS HB2 H 1 1.98 0.02 . 2 . . . . 48 LYS HB2 . 16995 1 498 . 1 1 48 48 LYS HB3 H 1 1.82 0.02 . 2 . . . . 48 LYS HB3 . 16995 1 499 . 1 1 48 48 LYS HD2 H 1 1.71 0.02 . 2 . . . . 48 LYS HD2 . 16995 1 500 . 1 1 48 48 LYS HD3 H 1 1.71 0.02 . 2 . . . . 48 LYS HD3 . 16995 1 501 . 1 1 48 48 LYS HE2 H 1 3.17 0.02 . 2 . . . . 48 LYS HE2 . 16995 1 502 . 1 1 48 48 LYS HE3 H 1 3.17 0.02 . 2 . . . . 48 LYS HE3 . 16995 1 503 . 1 1 48 48 LYS HG2 H 1 1.56 0.02 . 2 . . . . 48 LYS HG2 . 16995 1 504 . 1 1 48 48 LYS HG3 H 1 1.44 0.02 . 2 . . . . 48 LYS HG3 . 16995 1 505 . 1 1 48 48 LYS C C 13 177.0 0.2 . 1 . . . . 48 LYS C . 16995 1 506 . 1 1 48 48 LYS CB C 13 34.6 0.2 . 1 . . . . 48 LYS CB . 16995 1 507 . 1 1 48 48 LYS CD C 13 29.1 0.2 . 1 . . . . 48 LYS CD . 16995 1 508 . 1 1 48 48 LYS CE C 13 42.8 0.2 . 1 . . . . 48 LYS CE . 16995 1 509 . 1 1 48 48 LYS CG C 13 25.4 0.2 . 1 . . . . 48 LYS CG . 16995 1 510 . 1 1 48 48 LYS N N 15 118.6 0.2 . 1 . . . . 48 LYS N . 16995 1 511 . 1 1 49 49 SER H H 1 9.35 0.02 . 1 . . . . 49 SER H . 16995 1 512 . 1 1 49 49 SER HA H 1 4.40 0.02 . 1 . . . . 49 SER HA . 16995 1 513 . 1 1 49 49 SER HB2 H 1 4.32 0.02 . 2 . . . . 49 SER HB2 . 16995 1 514 . 1 1 49 49 SER HB3 H 1 4.07 0.02 . 2 . . . . 49 SER HB3 . 16995 1 515 . 1 1 49 49 SER C C 13 174.5 0.2 . 1 . . . . 49 SER C . 16995 1 516 . 1 1 49 49 SER CA C 13 57.3 0.2 . 1 . . . . 49 SER CA . 16995 1 517 . 1 1 49 49 SER CB C 13 64.7 0.2 . 1 . . . . 49 SER CB . 16995 1 518 . 1 1 49 49 SER N N 15 121.3 0.2 . 1 . . . . 49 SER N . 16995 1 519 . 1 1 50 50 LYS H H 1 8.89 0.02 . 1 . . . . 50 LYS H . 16995 1 520 . 1 1 50 50 LYS HA H 1 3.47 0.02 . 1 . . . . 50 LYS HA . 16995 1 521 . 1 1 50 50 LYS HB2 H 1 1.81 0.02 . 2 . . . . 50 LYS HB2 . 16995 1 522 . 1 1 50 50 LYS HB3 H 1 1.55 0.02 . 2 . . . . 50 LYS HB3 . 16995 1 523 . 1 1 50 50 LYS HD2 H 1 1.61 0.02 . 2 . . . . 50 LYS HD2 . 16995 1 524 . 1 1 50 50 LYS HD3 H 1 1.55 0.02 . 2 . . . . 50 LYS HD3 . 16995 1 525 . 1 1 50 50 LYS HE2 H 1 2.92 0.02 . 2 . . . . 50 LYS HE2 . 16995 1 526 . 1 1 50 50 LYS HE3 H 1 2.92 0.02 . 2 . . . . 50 LYS HE3 . 16995 1 527 . 1 1 50 50 LYS HG2 H 1 1.26 0.02 . 2 . . . . 50 LYS HG2 . 16995 1 528 . 1 1 50 50 LYS HG3 H 1 0.94 0.02 . 2 . . . . 50 LYS HG3 . 16995 1 529 . 1 1 50 50 LYS C C 13 177.7 0.2 . 1 . . . . 50 LYS C . 16995 1 530 . 1 1 50 50 LYS CA C 13 59.9 0.2 . 1 . . . . 50 LYS CA . 16995 1 531 . 1 1 50 50 LYS CB C 13 31.2 0.2 . 1 . . . . 50 LYS CB . 16995 1 532 . 1 1 50 50 LYS CD C 13 28.6 0.2 . 1 . . . . 50 LYS CD . 16995 1 533 . 1 1 50 50 LYS CE C 13 41.7 0.2 . 1 . . . . 50 LYS CE . 16995 1 534 . 1 1 50 50 LYS CG C 13 24.0 0.2 . 1 . . . . 50 LYS CG . 16995 1 535 . 1 1 50 50 LYS N N 15 122.4 0.2 . 1 . . . . 50 LYS N . 16995 1 536 . 1 1 51 51 LEU H H 1 7.98 0.02 . 1 . . . . 51 LEU H . 16995 1 537 . 1 1 51 51 LEU HA H 1 3.93 0.02 . 1 . . . . 51 LEU HA . 16995 1 538 . 1 1 51 51 LEU HB2 H 1 1.54 0.02 . 2 . . . . 51 LEU HB2 . 16995 1 539 . 1 1 51 51 LEU HB3 H 1 1.54 0.02 . 2 . . . . 51 LEU HB3 . 16995 1 540 . 1 1 51 51 LEU HD11 H 1 0.86 0.02 . 2 . . . . 51 LEU MD1 . 16995 1 541 . 1 1 51 51 LEU HD12 H 1 0.86 0.02 . 2 . . . . 51 LEU MD1 . 16995 1 542 . 1 1 51 51 LEU HD13 H 1 0.86 0.02 . 2 . . . . 51 LEU MD1 . 16995 1 543 . 1 1 51 51 LEU HD21 H 1 0.86 0.02 . 2 . . . . 51 LEU MD2 . 16995 1 544 . 1 1 51 51 LEU HD22 H 1 0.86 0.02 . 2 . . . . 51 LEU MD2 . 16995 1 545 . 1 1 51 51 LEU HD23 H 1 0.86 0.02 . 2 . . . . 51 LEU MD2 . 16995 1 546 . 1 1 51 51 LEU CA C 13 58.0 0.2 . 1 . . . . 51 LEU CA . 16995 1 547 . 1 1 51 51 LEU CB C 13 41.9 0.2 . 1 . . . . 51 LEU CB . 16995 1 548 . 1 1 51 51 LEU CD1 C 13 24.3 0.2 . 2 . . . . 51 LEU CD1 . 16995 1 549 . 1 1 51 51 LEU CD2 C 13 24.3 0.2 . 2 . . . . 51 LEU CD2 . 16995 1 550 . 1 1 51 51 LEU N N 15 117.2 0.2 . 1 . . . . 51 LEU N . 16995 1 551 . 1 1 52 52 GLU H H 1 7.65 0.02 . 1 . . . . 52 GLU H . 16995 1 552 . 1 1 52 52 GLU HA H 1 3.96 0.02 . 1 . . . . 52 GLU HA . 16995 1 553 . 1 1 52 52 GLU HB2 H 1 2.32 0.02 . 2 . . . . 52 GLU HB2 . 16995 1 554 . 1 1 52 52 GLU HB3 H 1 1.98 0.02 . 2 . . . . 52 GLU HB3 . 16995 1 555 . 1 1 52 52 GLU HG2 H 1 2.39 0.02 . 2 . . . . 52 GLU HG2 . 16995 1 556 . 1 1 52 52 GLU HG3 H 1 2.31 0.02 . 2 . . . . 52 GLU HG3 . 16995 1 557 . 1 1 52 52 GLU CA C 13 59.1 0.2 . 1 . . . . 52 GLU CA . 16995 1 558 . 1 1 52 52 GLU CB C 13 30.1 0.2 . 1 . . . . 52 GLU CB . 16995 1 559 . 1 1 52 52 GLU CG C 13 37.0 0.2 . 1 . . . . 52 GLU CG . 16995 1 560 . 1 1 52 52 GLU N N 15 119.1 0.2 . 1 . . . . 52 GLU N . 16995 1 561 . 1 1 53 53 GLN H H 1 8.42 0.02 . 1 . . . . 53 GLN H . 16995 1 562 . 1 1 53 53 GLN HA H 1 3.82 0.02 . 1 . . . . 53 GLN HA . 16995 1 563 . 1 1 53 53 GLN HB2 H 1 1.99 0.02 . 2 . . . . 53 GLN HB2 . 16995 1 564 . 1 1 53 53 GLN HB3 H 1 0.89 0.02 . 2 . . . . 53 GLN HB3 . 16995 1 565 . 1 1 53 53 GLN HG2 H 1 2.62 0.02 . 2 . . . . 53 GLN HG2 . 16995 1 566 . 1 1 53 53 GLN HG3 H 1 1.74 0.02 . 2 . . . . 53 GLN HG3 . 16995 1 567 . 1 1 53 53 GLN C C 13 177.9 0.2 . 1 . . . . 53 GLN C . 16995 1 568 . 1 1 53 53 GLN CA C 13 58.6 0.2 . 1 . . . . 53 GLN CA . 16995 1 569 . 1 1 53 53 GLN CB C 13 27.2 0.2 . 1 . . . . 53 GLN CB . 16995 1 570 . 1 1 53 53 GLN CG C 13 33.2 0.2 . 1 . . . . 53 GLN CG . 16995 1 571 . 1 1 53 53 GLN N N 15 119.2 0.2 . 1 . . . . 53 GLN N . 16995 1 572 . 1 1 54 54 HIS H H 1 8.36 0.02 . 1 . . . . 54 HIS H . 16995 1 573 . 1 1 54 54 HIS HA H 1 3.91 0.02 . 1 . . . . 54 HIS HA . 16995 1 574 . 1 1 54 54 HIS HB2 H 1 3.17 0.02 . 2 . . . . 54 HIS HB2 . 16995 1 575 . 1 1 54 54 HIS HB3 H 1 2.91 0.02 . 2 . . . . 54 HIS HB3 . 16995 1 576 . 1 1 54 54 HIS HE1 H 1 7.67 0.02 . 1 . . . . 54 HIS HE1 . 16995 1 577 . 1 1 54 54 HIS CA C 13 59.7 0.2 . 1 . . . . 54 HIS CA . 16995 1 578 . 1 1 54 54 HIS CB C 13 30.2 0.2 . 1 . . . . 54 HIS CB . 16995 1 579 . 1 1 54 54 HIS CE1 C 13 137.8 0.2 . 1 . . . . 54 HIS CE1 . 16995 1 580 . 1 1 54 54 HIS N N 15 116.9 0.2 . 1 . . . . 54 HIS N . 16995 1 581 . 1 1 55 55 ARG H H 1 8.42 0.02 . 1 . . . . 55 ARG H . 16995 1 582 . 1 1 55 55 ARG HA H 1 4.12 0.02 . 1 . . . . 55 ARG HA . 16995 1 583 . 1 1 55 55 ARG HB2 H 1 2.03 0.02 . 2 . . . . 55 ARG HB2 . 16995 1 584 . 1 1 55 55 ARG HB3 H 1 2.03 0.02 . 2 . . . . 55 ARG HB3 . 16995 1 585 . 1 1 55 55 ARG HD2 H 1 3.22 0.02 . 2 . . . . 55 ARG HD2 . 16995 1 586 . 1 1 55 55 ARG HD3 H 1 3.22 0.02 . 2 . . . . 55 ARG HD3 . 16995 1 587 . 1 1 55 55 ARG HG2 H 1 1.95 0.02 . 2 . . . . 55 ARG HG2 . 16995 1 588 . 1 1 55 55 ARG HG3 H 1 1.77 0.02 . 2 . . . . 55 ARG HG3 . 16995 1 589 . 1 1 55 55 ARG C C 13 179.0 0.2 . 1 . . . . 55 ARG C . 16995 1 590 . 1 1 55 55 ARG CA C 13 60.2 0.2 . 1 . . . . 55 ARG CA . 16995 1 591 . 1 1 55 55 ARG CB C 13 30.0 0.2 . 1 . . . . 55 ARG CB . 16995 1 592 . 1 1 55 55 ARG CD C 13 43.6 0.2 . 1 . . . . 55 ARG CD . 16995 1 593 . 1 1 55 55 ARG CG C 13 27.8 0.2 . 1 . . . . 55 ARG CG . 16995 1 594 . 1 1 55 55 ARG N N 15 119.2 0.2 . 1 . . . . 55 ARG N . 16995 1 595 . 1 1 56 56 MET H H 1 7.93 0.02 . 1 . . . . 56 MET H . 16995 1 596 . 1 1 56 56 MET HA H 1 4.13 0.02 . 1 . . . . 56 MET HA . 16995 1 597 . 1 1 56 56 MET HB2 H 1 2.79 0.02 . 2 . . . . 56 MET HB2 . 16995 1 598 . 1 1 56 56 MET HB3 H 1 2.58 0.02 . 2 . . . . 56 MET HB3 . 16995 1 599 . 1 1 56 56 MET HE1 H 1 2.23 0.02 . 1 . . . . 56 MET ME . 16995 1 600 . 1 1 56 56 MET HE2 H 1 2.23 0.02 . 1 . . . . 56 MET ME . 16995 1 601 . 1 1 56 56 MET HE3 H 1 2.23 0.02 . 1 . . . . 56 MET ME . 16995 1 602 . 1 1 56 56 MET HG2 H 1 3.11 0.02 . 2 . . . . 56 MET HG2 . 16995 1 603 . 1 1 56 56 MET HG3 H 1 2.77 0.02 . 2 . . . . 56 MET HG3 . 16995 1 604 . 1 1 56 56 MET C C 13 178.7 0.2 . 1 . . . . 56 MET C . 16995 1 605 . 1 1 56 56 MET CA C 13 59.8 0.2 . 1 . . . . 56 MET CA . 16995 1 606 . 1 1 56 56 MET CB C 13 34.2 0.2 . 1 . . . . 56 MET CB . 16995 1 607 . 1 1 56 56 MET CE C 13 16.6 0.2 . 1 . . . . 56 MET CE . 16995 1 608 . 1 1 56 56 MET CG C 13 32.4 0.2 . 1 . . . . 56 MET CG . 16995 1 609 . 1 1 56 56 MET N N 15 117.8 0.2 . 1 . . . . 56 MET N . 16995 1 610 . 1 1 57 57 ILE H H 1 7.44 0.02 . 1 . . . . 57 ILE H . 16995 1 611 . 1 1 57 57 ILE HA H 1 4.00 0.02 . 1 . . . . 57 ILE HA . 16995 1 612 . 1 1 57 57 ILE HB H 1 2.04 0.02 . 1 . . . . 57 ILE HB . 16995 1 613 . 1 1 57 57 ILE HD11 H 1 0.36 0.02 . 1 . . . . 57 ILE MD . 16995 1 614 . 1 1 57 57 ILE HD12 H 1 0.36 0.02 . 1 . . . . 57 ILE MD . 16995 1 615 . 1 1 57 57 ILE HD13 H 1 0.36 0.02 . 1 . . . . 57 ILE MD . 16995 1 616 . 1 1 57 57 ILE HG12 H 1 1.51 0.02 . 2 . . . . 57 ILE HG12 . 16995 1 617 . 1 1 57 57 ILE HG13 H 1 1.23 0.02 . 2 . . . . 57 ILE HG13 . 16995 1 618 . 1 1 57 57 ILE HG21 H 1 0.63 0.02 . 1 . . . . 57 ILE MG . 16995 1 619 . 1 1 57 57 ILE HG22 H 1 0.63 0.02 . 1 . . . . 57 ILE MG . 16995 1 620 . 1 1 57 57 ILE HG23 H 1 0.63 0.02 . 1 . . . . 57 ILE MG . 16995 1 621 . 1 1 57 57 ILE C C 13 177.8 0.2 . 1 . . . . 57 ILE C . 16995 1 622 . 1 1 57 57 ILE CA C 13 62.6 0.2 . 1 . . . . 57 ILE CA . 16995 1 623 . 1 1 57 57 ILE CB C 13 35.6 0.2 . 1 . . . . 57 ILE CB . 16995 1 624 . 1 1 57 57 ILE CD1 C 13 13.5 0.2 . 1 . . . . 57 ILE CD1 . 16995 1 625 . 1 1 57 57 ILE CG1 C 13 27.7 0.2 . 1 . . . . 57 ILE CG1 . 16995 1 626 . 1 1 57 57 ILE CG2 C 13 17.4 0.2 . 1 . . . . 57 ILE CG2 . 16995 1 627 . 1 1 57 57 ILE N N 15 118.2 0.2 . 1 . . . . 57 ILE N . 16995 1 628 . 1 1 58 58 TYR H H 1 8.81 0.02 . 1 . . . . 58 TYR H . 16995 1 629 . 1 1 58 58 TYR HA H 1 4.14 0.02 . 1 . . . . 58 TYR HA . 16995 1 630 . 1 1 58 58 TYR HB2 H 1 3.19 0.02 . 2 . . . . 58 TYR HB2 . 16995 1 631 . 1 1 58 58 TYR HB3 H 1 2.97 0.02 . 2 . . . . 58 TYR HB3 . 16995 1 632 . 1 1 58 58 TYR HD1 H 1 7.06 0.02 . 3 . . . . 58 TYR HD1 . 16995 1 633 . 1 1 58 58 TYR HD2 H 1 7.06 0.02 . 3 . . . . 58 TYR HD2 . 16995 1 634 . 1 1 58 58 TYR HE1 H 1 6.78 0.02 . 3 . . . . 58 TYR HE1 . 16995 1 635 . 1 1 58 58 TYR HE2 H 1 6.78 0.02 . 3 . . . . 58 TYR HE2 . 16995 1 636 . 1 1 58 58 TYR C C 13 178.8 0.2 . 1 . . . . 58 TYR C . 16995 1 637 . 1 1 58 58 TYR CA C 13 61.8 0.2 . 1 . . . . 58 TYR CA . 16995 1 638 . 1 1 58 58 TYR CB C 13 37.0 0.2 . 1 . . . . 58 TYR CB . 16995 1 639 . 1 1 58 58 TYR CD1 C 13 132.4 0.2 . 3 . . . . 58 TYR CD1 . 16995 1 640 . 1 1 58 58 TYR CD2 C 13 132.4 0.2 . 3 . . . . 58 TYR CD2 . 16995 1 641 . 1 1 58 58 TYR CE1 C 13 118.3 0.2 . 3 . . . . 58 TYR CE1 . 16995 1 642 . 1 1 58 58 TYR CE2 C 13 118.3 0.2 . 3 . . . . 58 TYR CE2 . 16995 1 643 . 1 1 58 58 TYR N N 15 119.5 0.2 . 1 . . . . 58 TYR N . 16995 1 644 . 1 1 59 59 LYS H H 1 8.03 0.02 . 1 . . . . 59 LYS H . 16995 1 645 . 1 1 59 59 LYS HA H 1 4.20 0.02 . 1 . . . . 59 LYS HA . 16995 1 646 . 1 1 59 59 LYS HB2 H 1 2.00 0.02 . 2 . . . . 59 LYS HB2 . 16995 1 647 . 1 1 59 59 LYS HB3 H 1 2.00 0.02 . 2 . . . . 59 LYS HB3 . 16995 1 648 . 1 1 59 59 LYS HD2 H 1 1.80 0.02 . 2 . . . . 59 LYS HD2 . 16995 1 649 . 1 1 59 59 LYS HD3 H 1 1.74 0.02 . 2 . . . . 59 LYS HD3 . 16995 1 650 . 1 1 59 59 LYS HE2 H 1 3.02 0.02 . 2 . . . . 59 LYS HE2 . 16995 1 651 . 1 1 59 59 LYS HE3 H 1 3.02 0.02 . 2 . . . . 59 LYS HE3 . 16995 1 652 . 1 1 59 59 LYS HG2 H 1 1.59 0.02 . 2 . . . . 59 LYS HG2 . 16995 1 653 . 1 1 59 59 LYS HG3 H 1 1.54 0.02 . 2 . . . . 59 LYS HG3 . 16995 1 654 . 1 1 59 59 LYS C C 13 179.0 0.2 . 1 . . . . 59 LYS C . 16995 1 655 . 1 1 59 59 LYS CA C 13 59.2 0.2 . 1 . . . . 59 LYS CA . 16995 1 656 . 1 1 59 59 LYS CB C 13 32.1 0.2 . 1 . . . . 59 LYS CB . 16995 1 657 . 1 1 59 59 LYS CD C 13 29.0 0.2 . 1 . . . . 59 LYS CD . 16995 1 658 . 1 1 59 59 LYS CG C 13 24.8 0.2 . 1 . . . . 59 LYS CG . 16995 1 659 . 1 1 59 59 LYS N N 15 117.9 0.2 . 1 . . . . 59 LYS N . 16995 1 660 . 1 1 60 60 VAL H H 1 7.30 0.02 . 1 . . . . 60 VAL H . 16995 1 661 . 1 1 60 60 VAL HA H 1 3.88 0.02 . 1 . . . . 60 VAL HA . 16995 1 662 . 1 1 60 60 VAL HB H 1 2.38 0.02 . 1 . . . . 60 VAL HB . 16995 1 663 . 1 1 60 60 VAL HG11 H 1 1.18 0.02 . 2 . . . . 60 VAL MG1 . 16995 1 664 . 1 1 60 60 VAL HG12 H 1 1.18 0.02 . 2 . . . . 60 VAL MG1 . 16995 1 665 . 1 1 60 60 VAL HG13 H 1 1.18 0.02 . 2 . . . . 60 VAL MG1 . 16995 1 666 . 1 1 60 60 VAL HG21 H 1 0.94 0.02 . 2 . . . . 60 VAL MG2 . 16995 1 667 . 1 1 60 60 VAL HG22 H 1 0.94 0.02 . 2 . . . . 60 VAL MG2 . 16995 1 668 . 1 1 60 60 VAL HG23 H 1 0.94 0.02 . 2 . . . . 60 VAL MG2 . 16995 1 669 . 1 1 60 60 VAL C C 13 176.6 0.2 . 1 . . . . 60 VAL C . 16995 1 670 . 1 1 60 60 VAL CA C 13 64.6 0.2 . 1 . . . . 60 VAL CA . 16995 1 671 . 1 1 60 60 VAL CB C 13 31.9 0.2 . 1 . . . . 60 VAL CB . 16995 1 672 . 1 1 60 60 VAL CG1 C 13 22.7 0.2 . 2 . . . . 60 VAL CG1 . 16995 1 673 . 1 1 60 60 VAL CG2 C 13 22.1 0.2 . 2 . . . . 60 VAL CG2 . 16995 1 674 . 1 1 60 60 VAL N N 15 117.9 0.2 . 1 . . . . 60 VAL N . 16995 1 675 . 1 1 61 61 LEU H H 1 7.41 0.02 . 1 . . . . 61 LEU H . 16995 1 676 . 1 1 61 61 LEU HA H 1 4.22 0.02 . 1 . . . . 61 LEU HA . 16995 1 677 . 1 1 61 61 LEU HB2 H 1 1.76 0.02 . 2 . . . . 61 LEU HB2 . 16995 1 678 . 1 1 61 61 LEU HB3 H 1 1.69 0.02 . 2 . . . . 61 LEU HB3 . 16995 1 679 . 1 1 61 61 LEU HD11 H 1 0.61 0.02 . 2 . . . . 61 LEU MD1 . 16995 1 680 . 1 1 61 61 LEU HD12 H 1 0.61 0.02 . 2 . . . . 61 LEU MD1 . 16995 1 681 . 1 1 61 61 LEU HD13 H 1 0.61 0.02 . 2 . . . . 61 LEU MD1 . 16995 1 682 . 1 1 61 61 LEU HD21 H 1 0.61 0.02 . 2 . . . . 61 LEU MD2 . 16995 1 683 . 1 1 61 61 LEU HD22 H 1 0.61 0.02 . 2 . . . . 61 LEU MD2 . 16995 1 684 . 1 1 61 61 LEU HD23 H 1 0.61 0.02 . 2 . . . . 61 LEU MD2 . 16995 1 685 . 1 1 61 61 LEU HG H 1 1.85 0.02 . 1 . . . . 61 LEU HG . 16995 1 686 . 1 1 61 61 LEU CA C 13 54.1 0.2 . 1 . . . . 61 LEU CA . 16995 1 687 . 1 1 61 61 LEU CB C 13 41.1 0.2 . 1 . . . . 61 LEU CB . 16995 1 688 . 1 1 61 61 LEU CD1 C 13 22.5 0.2 . 2 . . . . 61 LEU CD1 . 16995 1 689 . 1 1 61 61 LEU CD2 C 13 22.5 0.2 . 2 . . . . 61 LEU CD2 . 16995 1 690 . 1 1 61 61 LEU CG C 13 25.9 0.2 . 1 . . . . 61 LEU CG . 16995 1 691 . 1 1 61 61 LEU N N 15 116.2 0.2 . 1 . . . . 61 LEU N . 16995 1 692 . 1 1 62 62 ASP H H 1 7.32 0.02 . 1 . . . . 62 ASP H . 16995 1 693 . 1 1 62 62 ASP HA H 1 4.39 0.02 . 1 . . . . 62 ASP HA . 16995 1 694 . 1 1 62 62 ASP HB2 H 1 2.87 0.02 . 2 . . . . 62 ASP HB2 . 16995 1 695 . 1 1 62 62 ASP HB3 H 1 2.64 0.02 . 2 . . . . 62 ASP HB3 . 16995 1 696 . 1 1 62 62 ASP C C 13 177.2 0.2 . 1 . . . . 62 ASP C . 16995 1 697 . 1 1 62 62 ASP CA C 13 56.8 0.2 . 1 . . . . 62 ASP CA . 16995 1 698 . 1 1 62 62 ASP CB C 13 41.5 0.2 . 1 . . . . 62 ASP CB . 16995 1 699 . 1 1 62 62 ASP N N 15 120.2 0.2 . 1 . . . . 62 ASP N . 16995 1 700 . 1 1 63 63 GLY H H 1 8.71 0.02 . 1 . . . . 63 GLY H . 16995 1 701 . 1 1 63 63 GLY HA2 H 1 4.25 0.02 . 2 . . . . 63 GLY HA2 . 16995 1 702 . 1 1 63 63 GLY HA3 H 1 3.77 0.02 . 2 . . . . 63 GLY HA3 . 16995 1 703 . 1 1 63 63 GLY CA C 13 45.3 0.2 . 1 . . . . 63 GLY CA . 16995 1 704 . 1 1 63 63 GLY N N 15 113.0 0.2 . 1 . . . . 63 GLY N . 16995 1 705 . 1 1 64 64 LEU H H 1 7.86 0.02 . 1 . . . . 64 LEU H . 16995 1 706 . 1 1 64 64 LEU HA H 1 4.59 0.02 . 1 . . . . 64 LEU HA . 16995 1 707 . 1 1 64 64 LEU HB2 H 1 1.86 0.02 . 2 . . . . 64 LEU HB2 . 16995 1 708 . 1 1 64 64 LEU HB3 H 1 1.86 0.02 . 2 . . . . 64 LEU HB3 . 16995 1 709 . 1 1 64 64 LEU CA C 13 54.2 0.2 . 1 . . . . 64 LEU CA . 16995 1 710 . 1 1 64 64 LEU CB C 13 42.8 0.2 . 1 . . . . 64 LEU CB . 16995 1 711 . 1 1 64 64 LEU N N 15 119.2 0.2 . 1 . . . . 64 LEU N . 16995 1 712 . 1 1 70 70 GLN C C 13 174.2 0.2 . 1 . . . . 70 GLN C . 16995 1 713 . 1 1 70 70 GLN CA C 13 54.9 0.2 . 1 . . . . 70 GLN CA . 16995 1 714 . 1 1 70 70 GLN CB C 13 31.0 0.2 . 1 . . . . 70 GLN CB . 16995 1 715 . 1 1 70 70 GLN CG C 13 34.0 0.2 . 1 . . . . 70 GLN CG . 16995 1 716 . 1 1 71 71 ILE H H 1 8.58 0.02 . 1 . . . . 71 ILE H . 16995 1 717 . 1 1 71 71 ILE HA H 1 4.71 0.02 . 1 . . . . 71 ILE HA . 16995 1 718 . 1 1 71 71 ILE HB H 1 1.22 0.02 . 1 . . . . 71 ILE HB . 16995 1 719 . 1 1 71 71 ILE HD11 H 1 0.56 0.02 . 1 . . . . 71 ILE MD . 16995 1 720 . 1 1 71 71 ILE HD12 H 1 0.56 0.02 . 1 . . . . 71 ILE MD . 16995 1 721 . 1 1 71 71 ILE HD13 H 1 0.56 0.02 . 1 . . . . 71 ILE MD . 16995 1 722 . 1 1 71 71 ILE HG12 H 1 1.25 0.02 . 2 . . . . 71 ILE HG12 . 16995 1 723 . 1 1 71 71 ILE HG13 H 1 0.57 0.02 . 2 . . . . 71 ILE HG13 . 16995 1 724 . 1 1 71 71 ILE HG21 H 1 0.20 0.02 . 1 . . . . 71 ILE MG . 16995 1 725 . 1 1 71 71 ILE HG22 H 1 0.20 0.02 . 1 . . . . 71 ILE MG . 16995 1 726 . 1 1 71 71 ILE HG23 H 1 0.20 0.02 . 1 . . . . 71 ILE MG . 16995 1 727 . 1 1 71 71 ILE C C 13 174.4 0.2 . 1 . . . . 71 ILE C . 16995 1 728 . 1 1 71 71 ILE CA C 13 60.2 0.2 . 1 . . . . 71 ILE CA . 16995 1 729 . 1 1 71 71 ILE CB C 13 41.0 0.2 . 1 . . . . 71 ILE CB . 16995 1 730 . 1 1 71 71 ILE CD1 C 13 11.3 0.2 . 1 . . . . 71 ILE CD1 . 16995 1 731 . 1 1 71 71 ILE CG1 C 13 27.8 0.2 . 1 . . . . 71 ILE CG1 . 16995 1 732 . 1 1 71 71 ILE CG2 C 13 18.0 0.2 . 1 . . . . 71 ILE CG2 . 16995 1 733 . 1 1 71 71 ILE N N 15 124.8 0.2 . 1 . . . . 71 ILE N . 16995 1 734 . 1 1 72 72 GLN H H 1 8.67 0.02 . 1 . . . . 72 GLN H . 16995 1 735 . 1 1 72 72 GLN HA H 1 4.79 0.02 . 1 . . . . 72 GLN HA . 16995 1 736 . 1 1 72 72 GLN HB2 H 1 1.95 0.02 . 2 . . . . 72 GLN HB2 . 16995 1 737 . 1 1 72 72 GLN HB3 H 1 1.89 0.02 . 2 . . . . 72 GLN HB3 . 16995 1 738 . 1 1 72 72 GLN HE21 H 1 7.45 0.02 . 2 . . . . 72 GLN HE21 . 16995 1 739 . 1 1 72 72 GLN HE22 H 1 6.86 0.02 . 2 . . . . 72 GLN HE22 . 16995 1 740 . 1 1 72 72 GLN HG2 H 1 2.38 0.02 . 2 . . . . 72 GLN HG2 . 16995 1 741 . 1 1 72 72 GLN HG3 H 1 2.21 0.02 . 2 . . . . 72 GLN HG3 . 16995 1 742 . 1 1 72 72 GLN C C 13 173.9 0.2 . 1 . . . . 72 GLN C . 16995 1 743 . 1 1 72 72 GLN CA C 13 54.8 0.2 . 1 . . . . 72 GLN CA . 16995 1 744 . 1 1 72 72 GLN CB C 13 31.9 0.2 . 1 . . . . 72 GLN CB . 16995 1 745 . 1 1 72 72 GLN CG C 13 33.8 0.2 . 1 . . . . 72 GLN CG . 16995 1 746 . 1 1 72 72 GLN N N 15 126.2 0.2 . 1 . . . . 72 GLN N . 16995 1 747 . 1 1 72 72 GLN NE2 N 15 110.3 0.2 . 1 . . . . 72 GLN NE2 . 16995 1 748 . 1 1 73 73 THR H H 1 8.72 0.02 . 1 . . . . 73 THR H . 16995 1 749 . 1 1 73 73 THR HA H 1 5.51 0.02 . 1 . . . . 73 THR HA . 16995 1 750 . 1 1 73 73 THR HB H 1 3.61 0.02 . 1 . . . . 73 THR HB . 16995 1 751 . 1 1 73 73 THR HG21 H 1 0.60 0.02 . 1 . . . . 73 THR MG . 16995 1 752 . 1 1 73 73 THR HG22 H 1 0.60 0.02 . 1 . . . . 73 THR MG . 16995 1 753 . 1 1 73 73 THR HG23 H 1 0.60 0.02 . 1 . . . . 73 THR MG . 16995 1 754 . 1 1 73 73 THR C C 13 175.1 0.2 . 1 . . . . 73 THR C . 16995 1 755 . 1 1 73 73 THR CA C 13 59.0 0.2 . 1 . . . . 73 THR CA . 16995 1 756 . 1 1 73 73 THR CB C 13 71.0 0.2 . 1 . . . . 73 THR CB . 16995 1 757 . 1 1 73 73 THR CG2 C 13 23.0 0.2 . 1 . . . . 73 THR CG2 . 16995 1 758 . 1 1 73 73 THR N N 15 114.8 0.2 . 1 . . . . 73 THR N . 16995 1 759 . 1 1 74 74 GLY H H 1 7.99 0.02 . 1 . . . . 74 GLY H . 16995 1 760 . 1 1 74 74 GLY HA2 H 1 4.33 0.02 . 2 . . . . 74 GLY HA2 . 16995 1 761 . 1 1 74 74 GLY HA3 H 1 4.14 0.02 . 2 . . . . 74 GLY HA3 . 16995 1 762 . 1 1 74 74 GLY C C 13 171.2 0.2 . 1 . . . . 74 GLY C . 16995 1 763 . 1 1 74 74 GLY CA C 13 44.9 0.2 . 1 . . . . 74 GLY CA . 16995 1 764 . 1 1 74 74 GLY N N 15 106.0 0.2 . 1 . . . . 74 GLY N . 16995 1 765 . 1 1 75 75 CYS H H 1 8.79 0.02 . 1 . . . . 75 CYS H . 16995 1 766 . 1 1 75 75 CYS HA H 1 5.10 0.02 . 1 . . . . 75 CYS HA . 16995 1 767 . 1 1 75 75 CYS HB2 H 1 2.92 0.02 . 2 . . . . 75 CYS HB2 . 16995 1 768 . 1 1 75 75 CYS HB3 H 1 2.92 0.02 . 2 . . . . 75 CYS HB3 . 16995 1 769 . 1 1 75 75 CYS C C 13 173.8 0.2 . 1 . . . . 75 CYS C . 16995 1 770 . 1 1 75 75 CYS CA C 13 57.6 0.2 . 1 . . . . 75 CYS CA . 16995 1 771 . 1 1 75 75 CYS CB C 13 29.8 0.2 . 1 . . . . 75 CYS CB . 16995 1 772 . 1 1 75 75 CYS N N 15 117.7 0.2 . 1 . . . . 75 CYS N . 16995 1 773 . 1 1 76 76 LYS H H 1 7.28 0.02 . 1 . . . . 76 LYS H . 16995 1 774 . 1 1 76 76 LYS HA H 1 4.06 0.02 . 1 . . . . 76 LYS HA . 16995 1 775 . 1 1 76 76 LYS HB2 H 1 1.73 0.02 . 2 . . . . 76 LYS HB2 . 16995 1 776 . 1 1 76 76 LYS HB3 H 1 1.73 0.02 . 2 . . . . 76 LYS HB3 . 16995 1 777 . 1 1 76 76 LYS HD2 H 1 0.65 0.02 . 2 . . . . 76 LYS HD2 . 16995 1 778 . 1 1 76 76 LYS HD3 H 1 0.65 0.02 . 2 . . . . 76 LYS HD3 . 16995 1 779 . 1 1 76 76 LYS HG2 H 1 1.25 0.02 . 2 . . . . 76 LYS HG2 . 16995 1 780 . 1 1 76 76 LYS HG3 H 1 1.25 0.02 . 2 . . . . 76 LYS HG3 . 16995 1 781 . 1 1 76 76 LYS CA C 13 57.7 0.2 . 1 . . . . 76 LYS CA . 16995 1 782 . 1 1 76 76 LYS CB C 13 33.8 0.2 . 1 . . . . 76 LYS CB . 16995 1 783 . 1 1 76 76 LYS CD C 13 26.0 0.2 . 1 . . . . 76 LYS CD . 16995 1 784 . 1 1 76 76 LYS CG C 13 24.8 0.2 . 1 . . . . 76 LYS CG . 16995 1 785 . 1 1 76 76 LYS N N 15 125.9 0.2 . 1 . . . . 76 LYS N . 16995 1 stop_ save_