data_18621 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18621 _Entry.Title ; NMR Chemical Shift Assignments of N terminal La motif domain of La protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-27 _Entry.Accession_date 2012-07-27 _Entry.Last_release_date 2012-07-27 _Entry.Original_release_date 2012-07-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _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 'La motif domain recombinant polypeptide expressed in E.coli studied through NMR spectroscopy' _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 Georgios Bouras . . . . 18621 2 Aikaterini Argyriou . I. . . 18621 3 Maria Apostolidi . . . . 18621 4 Christos Chasapis . T. . . 18621 5 Constantinos Stathopoulos . . . . 18621 6 Detlef Bentrop . . . . 18621 7 Georgios Spyroulias . A. . . 18621 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18621 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 383 18621 '15N chemical shifts' 88 18621 '1H chemical shifts' 514 18621 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 4 . . 2020-01-17 2012-07-27 update author 'update chemical shifts' 18621 3 . . 2014-05-13 2012-07-27 update BMRB 'update entry citation' 18621 2 . . 2013-07-26 2012-07-27 update BMRB 'correct the shift 16 TYR CG from 36.514 to 136.514' 18621 1 . . 2013-02-14 2012-07-27 original author 'original release' 18621 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18620 'RRM domain' 18621 PDB 1S29 'La autoantigen N-terminal domain' 18621 PDB 1S7A 'NMR structure of the La motif of human La protein' 18621 PDB 2VON 'CRYSTAL STRUCTURE OF N-TERMINAL DOMAINS OF HUMAN LA PROTEIN COMPLEXED WITH RNA OLIGOMER AUAAUUU' 18621 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18621 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 23239108 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; H, 15N, 13C assignment and secondary structure determination of two domains of La protein from D. discoideum. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 47 _Citation.Page_last 51 _Citation.Year 2014 _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 Maria Apostolidi . . . . 18621 1 2 Dionysios Vourtsis . J. . . 18621 1 3 Christos Chasapis . T. . . 18621 1 4 Constantinos Stathopoulos . . . . 18621 1 5 Detlef Bentrop . . . . 18621 1 6 Georgios Spyroulias . A. . . 18621 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18621 _Assembly.ID 1 _Assembly.Name 'La-type RNA-binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _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 . _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 'La-type RNA-binding domain' 1 $La_motif A . yes native no no . . . 18621 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1S29 . . X-ray . . 'La autoantigen N-terminal domain' 18621 1 yes PDB 1S7A . . 'solution NMR' . . 'NMR structure of the La motif of human La protein' 18621 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; Binds to the 3' poly(U) terminii of nascent RNA polymerase III transcripts, protecting them from exonuclease digestion and facilitating their folding and maturation. ; 18621 1 'Histone mRNA metabolic process' 18621 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_La_motif _Entity.Sf_category entity _Entity.Sf_framecode La_motif _Entity.Entry_ID 18621 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name La_motif _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSEETSTQILKQVEYYFSDS NFPRDKFLRSEAAKNVDNYI SIDVIASFNRMKTISTDLQL ITEALKKSTRLQVSEDGKMV RRLDPLPENID ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1 MET' _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'La-type RNA-binding domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10534.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 1 yes EMBL Q54TG6 . 'Lupus La protein' . . . . . . . . . . . . . . 18621 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Histone mRNA metabolic process' 18621 1 'RNA- binding' 18621 1 'tRNA modification' 18621 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 . MET . 18621 1 2 . SER . 18621 1 3 . GLU . 18621 1 4 . GLU . 18621 1 5 . THR . 18621 1 6 . SER . 18621 1 7 . THR . 18621 1 8 . GLN . 18621 1 9 . ILE . 18621 1 10 . LEU . 18621 1 11 . LYS . 18621 1 12 . GLN . 18621 1 13 . VAL . 18621 1 14 . GLU . 18621 1 15 . TYR . 18621 1 16 . TYR . 18621 1 17 . PHE . 18621 1 18 . SER . 18621 1 19 . ASP . 18621 1 20 . SER . 18621 1 21 . ASN . 18621 1 22 . PHE . 18621 1 23 . PRO . 18621 1 24 . ARG . 18621 1 25 . ASP . 18621 1 26 . LYS . 18621 1 27 . PHE . 18621 1 28 . LEU . 18621 1 29 . ARG . 18621 1 30 . SER . 18621 1 31 . GLU . 18621 1 32 . ALA . 18621 1 33 . ALA . 18621 1 34 . LYS . 18621 1 35 . ASN . 18621 1 36 . VAL . 18621 1 37 . ASP . 18621 1 38 . ASN . 18621 1 39 . TYR . 18621 1 40 . ILE . 18621 1 41 . SER . 18621 1 42 . ILE . 18621 1 43 . ASP . 18621 1 44 . VAL . 18621 1 45 . ILE . 18621 1 46 . ALA . 18621 1 47 . SER . 18621 1 48 . PHE . 18621 1 49 . ASN . 18621 1 50 . ARG . 18621 1 51 . MET . 18621 1 52 . LYS . 18621 1 53 . THR . 18621 1 54 . ILE . 18621 1 55 . SER . 18621 1 56 . THR . 18621 1 57 . ASP . 18621 1 58 . LEU . 18621 1 59 . GLN . 18621 1 60 . LEU . 18621 1 61 . ILE . 18621 1 62 . THR . 18621 1 63 . GLU . 18621 1 64 . ALA . 18621 1 65 . LEU . 18621 1 66 . LYS . 18621 1 67 . LYS . 18621 1 68 . SER . 18621 1 69 . THR . 18621 1 70 . ARG . 18621 1 71 . LEU . 18621 1 72 . GLN . 18621 1 73 . VAL . 18621 1 74 . SER . 18621 1 75 . GLU . 18621 1 76 . ASP . 18621 1 77 . GLY . 18621 1 78 . LYS . 18621 1 79 . MET . 18621 1 80 . VAL . 18621 1 81 . ARG . 18621 1 82 . ARG . 18621 1 83 . LEU . 18621 1 84 . ASP . 18621 1 85 . PRO . 18621 1 86 . LEU . 18621 1 87 . PRO . 18621 1 88 . GLU . 18621 1 89 . ASN . 18621 1 90 . ILE . 18621 1 91 . ASP . 18621 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18621 1 . SER 2 2 18621 1 . GLU 3 3 18621 1 . GLU 4 4 18621 1 . THR 5 5 18621 1 . SER 6 6 18621 1 . THR 7 7 18621 1 . GLN 8 8 18621 1 . ILE 9 9 18621 1 . LEU 10 10 18621 1 . LYS 11 11 18621 1 . GLN 12 12 18621 1 . VAL 13 13 18621 1 . GLU 14 14 18621 1 . TYR 15 15 18621 1 . TYR 16 16 18621 1 . PHE 17 17 18621 1 . SER 18 18 18621 1 . ASP 19 19 18621 1 . SER 20 20 18621 1 . ASN 21 21 18621 1 . PHE 22 22 18621 1 . PRO 23 23 18621 1 . ARG 24 24 18621 1 . ASP 25 25 18621 1 . LYS 26 26 18621 1 . PHE 27 27 18621 1 . LEU 28 28 18621 1 . ARG 29 29 18621 1 . SER 30 30 18621 1 . GLU 31 31 18621 1 . ALA 32 32 18621 1 . ALA 33 33 18621 1 . LYS 34 34 18621 1 . ASN 35 35 18621 1 . VAL 36 36 18621 1 . ASP 37 37 18621 1 . ASN 38 38 18621 1 . TYR 39 39 18621 1 . ILE 40 40 18621 1 . SER 41 41 18621 1 . ILE 42 42 18621 1 . ASP 43 43 18621 1 . VAL 44 44 18621 1 . ILE 45 45 18621 1 . ALA 46 46 18621 1 . SER 47 47 18621 1 . PHE 48 48 18621 1 . ASN 49 49 18621 1 . ARG 50 50 18621 1 . MET 51 51 18621 1 . LYS 52 52 18621 1 . THR 53 53 18621 1 . ILE 54 54 18621 1 . SER 55 55 18621 1 . THR 56 56 18621 1 . ASP 57 57 18621 1 . LEU 58 58 18621 1 . GLN 59 59 18621 1 . LEU 60 60 18621 1 . ILE 61 61 18621 1 . THR 62 62 18621 1 . GLU 63 63 18621 1 . ALA 64 64 18621 1 . LEU 65 65 18621 1 . LYS 66 66 18621 1 . LYS 67 67 18621 1 . SER 68 68 18621 1 . THR 69 69 18621 1 . ARG 70 70 18621 1 . LEU 71 71 18621 1 . GLN 72 72 18621 1 . VAL 73 73 18621 1 . SER 74 74 18621 1 . GLU 75 75 18621 1 . ASP 76 76 18621 1 . GLY 77 77 18621 1 . LYS 78 78 18621 1 . MET 79 79 18621 1 . VAL 80 80 18621 1 . ARG 81 81 18621 1 . ARG 82 82 18621 1 . LEU 83 83 18621 1 . ASP 84 84 18621 1 . PRO 85 85 18621 1 . LEU 86 86 18621 1 . PRO 87 87 18621 1 . GLU 88 88 18621 1 . ASN 89 89 18621 1 . ILE 90 90 18621 1 . ASP 91 91 18621 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 18621 _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 $La_motif . 44689 organism . 'Dictyostelium discoideum' 'Dictyostelium discoideum' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . 'DDB_0204655, DDB_G0281763' . 18621 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 18621 _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 $La_motif . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET . . . 18621 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18621 _Sample.ID 1 _Sample.Name . _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 'La-type RNA-binding domain' '[U-98% 15N]' . . 1 $La_motif . . 0.37 . . mM . . . . 18621 1 2 'buffer salts' 'natural abundance' . . . . . . 50 . . mM . . . . 18621 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18621 _Sample.ID 2 _Sample.Name . _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 'La-type RNA-binding domain' '[U-98% 13C; U-98% 15N]' . . 1 $La_motif . . 0.37 . . mM . . . . 18621 2 2 'buffer salts' 'natural abundance' . . . . . . 50 . . mM . . . . 18621 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 18621 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 18621 1 pH 7 . pH 18621 1 pressure 1 . atm 18621 1 temperature 298 . K 18621 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18621 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 50 . mM 18621 2 pH 7 . pH 18621 2 temperature 298 . K 18621 2 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18621 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.8.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18621 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18621 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18621 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18621 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18621 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 18621 _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 . . . . . . . . . . . . . . . . 18621 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18621 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18621 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18621 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18621 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18621 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18621 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18621 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 18621 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 internal indirect 0.251449530 . . . . . 18621 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 18621 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 18621 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 18621 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 2 '2D 1H-15N HSQC' . . . 18621 1 3 '3D CBCA(CO)NH' . . . 18621 1 4 '3D HNCO' . . . 18621 1 5 '3D HNCA' . . . 18621 1 6 '3D HNCACB' . . . 18621 1 7 '3D HN(CO)CA' . . . 18621 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 3 3 GLU HA H 1 4.34 0.02 . 1 . . . . . 3 GLU HA . 18621 1 2 . 1 . 1 3 3 GLU C C 13 177.3 0.3 . 1 . . . . . 3 GLU C . 18621 1 3 . 1 . 1 3 3 GLU CA C 13 58.5 0.3 . 1 . . . . . 3 GLU CA . 18621 1 4 . 1 . 1 3 3 GLU CB C 13 31.3 0.3 . 1 . . . . . 3 GLU CB . 18621 1 5 . 1 . 1 3 3 GLU CG C 13 37.3 0.3 . 1 . . . . . 3 GLU CG . 18621 1 6 . 1 . 1 4 4 GLU H H 1 8.78 0.02 . 1 . . . . . 4 GLU H . 18621 1 7 . 1 . 1 4 4 GLU HA H 1 4.26 0.02 . 1 . . . . . 4 GLU HA . 18621 1 8 . 1 . 1 4 4 GLU HB2 H 1 2.10 0.02 . 2 . . . . . 4 GLU HB2 . 18621 1 9 . 1 . 1 4 4 GLU HB3 H 1 2.04 0.02 . 2 . . . . . 4 GLU HB3 . 18621 1 10 . 1 . 1 4 4 GLU C C 13 178.2 0.3 . 1 . . . . . 4 GLU C . 18621 1 11 . 1 . 1 4 4 GLU CA C 13 59.2 0.3 . 1 . . . . . 4 GLU CA . 18621 1 12 . 1 . 1 4 4 GLU CB C 13 30.8 0.3 . 1 . . . . . 4 GLU CB . 18621 1 13 . 1 . 1 4 4 GLU CG C 13 37.4 0.3 . 1 . . . . . 4 GLU CG . 18621 1 14 . 1 . 1 4 4 GLU N N 15 121.8 0.3 . 1 . . . . . 4 GLU N . 18621 1 15 . 1 . 1 5 5 THR H H 1 8.33 0.02 . 1 . . . . . 5 THR H . 18621 1 16 . 1 . 1 5 5 THR HA H 1 3.91 0.02 . 1 . . . . . 5 THR HA . 18621 1 17 . 1 . 1 5 5 THR HB H 1 4.11 0.02 . 1 . . . . . 5 THR HB . 18621 1 18 . 1 . 1 5 5 THR HG21 H 1 1.27 0.02 . 1 . . . . . 5 THR HG2 . 18621 1 19 . 1 . 1 5 5 THR HG22 H 1 1.27 0.02 . 1 . . . . . 5 THR HG2 . 18621 1 20 . 1 . 1 5 5 THR HG23 H 1 1.27 0.02 . 1 . . . . . 5 THR HG2 . 18621 1 21 . 1 . 1 5 5 THR CA C 13 67.9 0.3 . 1 . . . . . 5 THR CA . 18621 1 22 . 1 . 1 5 5 THR CB C 13 69.4 0.3 . 1 . . . . . 5 THR CB . 18621 1 23 . 1 . 1 5 5 THR CG2 C 13 23.6 0.3 . 1 . . . . . 5 THR CG2 . 18621 1 24 . 1 . 1 5 5 THR N N 15 118.7 0.3 . 1 . . . . . 5 THR N . 18621 1 25 . 1 . 1 6 6 SER H H 1 8.59 0.02 . 1 . . . . . 6 SER H . 18621 1 26 . 1 . 1 6 6 SER HA H 1 3.92 0.02 . 1 . . . . . 6 SER HA . 18621 1 27 . 1 . 1 6 6 SER CA C 13 63.8 0.3 . 1 . . . . . 6 SER CA . 18621 1 28 . 1 . 1 6 6 SER CB C 13 64.5 0.3 . 1 . . . . . 6 SER CB . 18621 1 29 . 1 . 1 6 6 SER N N 15 116.1 0.3 . 1 . . . . . 6 SER N . 18621 1 30 . 1 . 1 7 7 THR H H 1 7.77 0.02 . 1 . . . . . 7 THR H . 18621 1 31 . 1 . 1 7 7 THR HA H 1 3.94 0.02 . 1 . . . . . 7 THR HA . 18621 1 32 . 1 . 1 7 7 THR HB H 1 4.32 0.02 . 1 . . . . . 7 THR HB . 18621 1 33 . 1 . 1 7 7 THR HG21 H 1 1.26 0.02 . 1 . . . . . 7 THR HG2 . 18621 1 34 . 1 . 1 7 7 THR HG22 H 1 1.26 0.02 . 1 . . . . . 7 THR HG2 . 18621 1 35 . 1 . 1 7 7 THR HG23 H 1 1.26 0.02 . 1 . . . . . 7 THR HG2 . 18621 1 36 . 1 . 1 7 7 THR CA C 13 67.4 0.3 . 1 . . . . . 7 THR CA . 18621 1 37 . 1 . 1 7 7 THR CB C 13 69.3 0.3 . 1 . . . . . 7 THR CB . 18621 1 38 . 1 . 1 7 7 THR CG2 C 13 23.1 0.3 . 1 . . . . . 7 THR CG2 . 18621 1 39 . 1 . 1 7 7 THR N N 15 118.0 0.3 . 1 . . . . . 7 THR N . 18621 1 40 . 1 . 1 8 8 GLN H H 1 7.98 0.02 . 1 . . . . . 8 GLN H . 18621 1 41 . 1 . 1 8 8 GLN HA H 1 3.99 0.02 . 1 . . . . . 8 GLN HA . 18621 1 42 . 1 . 1 8 8 GLN HB2 H 1 2.10 0.02 . 2 . . . . . 8 GLN HB2 . 18621 1 43 . 1 . 1 8 8 GLN HB3 H 1 2.29 0.02 . 2 . . . . . 8 GLN HB3 . 18621 1 44 . 1 . 1 8 8 GLN HG2 H 1 2.51 0.02 . 2 . . . . . 8 GLN HG2 . 18621 1 45 . 1 . 1 8 8 GLN HG3 H 1 2.36 0.02 . 2 . . . . . 8 GLN HG3 . 18621 1 46 . 1 . 1 8 8 GLN HE21 H 1 7.39 0.02 . 1 . . . . . 8 GLN HE21 . 18621 1 47 . 1 . 1 8 8 GLN HE22 H 1 6.86 0.02 . 1 . . . . . 8 GLN HE22 . 18621 1 48 . 1 . 1 8 8 GLN C C 13 179.6 0.3 . 1 . . . . . 8 GLN C . 18621 1 49 . 1 . 1 8 8 GLN CA C 13 60.3 0.3 . 1 . . . . . 8 GLN CA . 18621 1 50 . 1 . 1 8 8 GLN CB C 13 30.0 0.3 . 1 . . . . . 8 GLN CB . 18621 1 51 . 1 . 1 8 8 GLN CG C 13 35.2 0.3 . 1 . . . . . 8 GLN CG . 18621 1 52 . 1 . 1 8 8 GLN N N 15 121.2 0.3 . 1 . . . . . 8 GLN N . 18621 1 53 . 1 . 1 8 8 GLN NE2 N 15 111.4 0.3 . 1 . . . . . 8 GLN NE2 . 18621 1 54 . 1 . 1 9 9 ILE H H 1 8.40 0.02 . 1 . . . . . 9 ILE H . 18621 1 55 . 1 . 1 9 9 ILE HA H 1 3.52 0.02 . 1 . . . . . 9 ILE HA . 18621 1 56 . 1 . 1 9 9 ILE HB H 1 2.00 0.02 . 1 . . . . . 9 ILE HB . 18621 1 57 . 1 . 1 9 9 ILE HG12 H 1 1.78 0.02 . 2 . . . . . 9 ILE HG12 . 18621 1 58 . 1 . 1 9 9 ILE HG13 H 1 1.03 0.02 . 2 . . . . . 9 ILE HG13 . 18621 1 59 . 1 . 1 9 9 ILE HG21 H 1 0.91 0.02 . 1 . . . . . 9 ILE HG2 . 18621 1 60 . 1 . 1 9 9 ILE HG22 H 1 0.91 0.02 . 1 . . . . . 9 ILE HG2 . 18621 1 61 . 1 . 1 9 9 ILE HG23 H 1 0.91 0.02 . 1 . . . . . 9 ILE HG2 . 18621 1 62 . 1 . 1 9 9 ILE HD11 H 1 0.75 0.02 . 1 . . . . . 9 ILE HD1 . 18621 1 63 . 1 . 1 9 9 ILE HD12 H 1 0.75 0.02 . 1 . . . . . 9 ILE HD1 . 18621 1 64 . 1 . 1 9 9 ILE HD13 H 1 0.75 0.02 . 1 . . . . . 9 ILE HD1 . 18621 1 65 . 1 . 1 9 9 ILE C C 13 176.8 0.3 . 1 . . . . . 9 ILE C . 18621 1 66 . 1 . 1 9 9 ILE CA C 13 65.8 0.3 . 1 . . . . . 9 ILE CA . 18621 1 67 . 1 . 1 9 9 ILE CB C 13 38.8 0.3 . 1 . . . . . 9 ILE CB . 18621 1 68 . 1 . 1 9 9 ILE CG1 C 13 29.6 0.3 . 1 . . . . . 9 ILE CG1 . 18621 1 69 . 1 . 1 9 9 ILE CG2 C 13 19.9 0.3 . 1 . . . . . 9 ILE CG2 . 18621 1 70 . 1 . 1 9 9 ILE CD1 C 13 15.0 0.3 . 1 . . . . . 9 ILE CD1 . 18621 1 71 . 1 . 1 9 9 ILE N N 15 119.9 0.3 . 1 . . . . . 9 ILE N . 18621 1 72 . 1 . 1 10 10 LEU H H 1 7.99 0.02 . 1 . . . . . 10 LEU H . 18621 1 73 . 1 . 1 10 10 LEU HA H 1 3.81 0.02 . 1 . . . . . 10 LEU HA . 18621 1 74 . 1 . 1 10 10 LEU HB2 H 1 1.82 0.02 . 2 . . . . . 10 LEU HB2 . 18621 1 75 . 1 . 1 10 10 LEU HB3 H 1 1.62 0.02 . 2 . . . . . 10 LEU HB3 . 18621 1 76 . 1 . 1 10 10 LEU HG H 1 1.49 0.02 . 1 . . . . . 10 LEU HG . 18621 1 77 . 1 . 1 10 10 LEU HD11 H 1 0.92 0.02 . 1 . . . . . 10 LEU HD1 . 18621 1 78 . 1 . 1 10 10 LEU HD12 H 1 0.92 0.02 . 1 . . . . . 10 LEU HD1 . 18621 1 79 . 1 . 1 10 10 LEU HD13 H 1 0.92 0.02 . 1 . . . . . 10 LEU HD1 . 18621 1 80 . 1 . 1 10 10 LEU HD21 H 1 0.89 0.02 . 1 . . . . . 10 LEU HD2 . 18621 1 81 . 1 . 1 10 10 LEU HD22 H 1 0.89 0.02 . 1 . . . . . 10 LEU HD2 . 18621 1 82 . 1 . 1 10 10 LEU HD23 H 1 0.89 0.02 . 1 . . . . . 10 LEU HD2 . 18621 1 83 . 1 . 1 10 10 LEU C C 13 178.3 0.3 . 1 . . . . . 10 LEU C . 18621 1 84 . 1 . 1 10 10 LEU CA C 13 59.8 0.3 . 1 . . . . . 10 LEU CA . 18621 1 85 . 1 . 1 10 10 LEU CB C 13 43.1 0.3 . 1 . . . . . 10 LEU CB . 18621 1 86 . 1 . 1 10 10 LEU CG C 13 28.4 0.3 . 1 . . . . . 10 LEU CG . 18621 1 87 . 1 . 1 10 10 LEU CD1 C 13 26.2 0.3 . 1 . . . . . 10 LEU CD1 . 18621 1 88 . 1 . 1 10 10 LEU CD2 C 13 25.8 0.3 . 1 . . . . . 10 LEU CD2 . 18621 1 89 . 1 . 1 10 10 LEU N N 15 119.5 0.3 . 1 . . . . . 10 LEU N . 18621 1 90 . 1 . 1 11 11 LYS H H 1 8.35 0.02 . 1 . . . . . 11 LYS H . 18621 1 91 . 1 . 1 11 11 LYS HA H 1 3.99 0.02 . 1 . . . . . 11 LYS HA . 18621 1 92 . 1 . 1 11 11 LYS HG2 H 1 1.42 0.02 . 2 . . . . . 11 LYS HG2 . 18621 1 93 . 1 . 1 11 11 LYS HG3 H 1 1.58 0.02 . 2 . . . . . 11 LYS HG3 . 18621 1 94 . 1 . 1 11 11 LYS C C 13 179.9 0.3 . 1 . . . . . 11 LYS C . 18621 1 95 . 1 . 1 11 11 LYS CA C 13 60.3 0.3 . 1 . . . . . 11 LYS CA . 18621 1 96 . 1 . 1 11 11 LYS CB C 13 33.4 0.3 . 1 . . . . . 11 LYS CB . 18621 1 97 . 1 . 1 11 11 LYS CG C 13 26.2 0.3 . 1 . . . . . 11 LYS CG . 18621 1 98 . 1 . 1 11 11 LYS CD C 13 30.1 0.3 . 1 . . . . . 11 LYS CD . 18621 1 99 . 1 . 1 11 11 LYS CE C 13 43.0 0.3 . 1 . . . . . 11 LYS CE . 18621 1 100 . 1 . 1 11 11 LYS N N 15 116.4 0.3 . 1 . . . . . 11 LYS N . 18621 1 101 . 1 . 1 12 12 GLN H H 1 7.90 0.02 . 1 . . . . . 12 GLN H . 18621 1 102 . 1 . 1 12 12 GLN HA H 1 3.91 0.02 . 1 . . . . . 12 GLN HA . 18621 1 103 . 1 . 1 12 12 GLN HB2 H 1 2.09 0.02 . 2 . . . . . 12 GLN HB2 . 18621 1 104 . 1 . 1 12 12 GLN HB3 H 1 1.92 0.02 . 2 . . . . . 12 GLN HB3 . 18621 1 105 . 1 . 1 12 12 GLN HG2 H 1 2.06 0.02 . 2 . . . . . 12 GLN HG2 . 18621 1 106 . 1 . 1 12 12 GLN HG3 H 1 1.94 0.02 . 2 . . . . . 12 GLN HG3 . 18621 1 107 . 1 . 1 12 12 GLN HE21 H 1 6.95 0.02 . 1 . . . . . 12 GLN HE21 . 18621 1 108 . 1 . 1 12 12 GLN HE22 H 1 5.68 0.02 . 1 . . . . . 12 GLN HE22 . 18621 1 109 . 1 . 1 12 12 GLN C C 13 177.4 0.3 . 1 . . . . . 12 GLN C . 18621 1 110 . 1 . 1 12 12 GLN CA C 13 58.9 0.3 . 1 . . . . . 12 GLN CA . 18621 1 111 . 1 . 1 12 12 GLN CB C 13 29.4 0.3 . 1 . . . . . 12 GLN CB . 18621 1 112 . 1 . 1 12 12 GLN CG C 13 35.2 0.3 . 1 . . . . . 12 GLN CG . 18621 1 113 . 1 . 1 12 12 GLN N N 15 119.5 0.3 . 1 . . . . . 12 GLN N . 18621 1 114 . 1 . 1 12 12 GLN NE2 N 15 113.0 0.3 . 1 . . . . . 12 GLN NE2 . 18621 1 115 . 1 . 1 13 13 VAL H H 1 8.59 0.02 . 1 . . . . . 13 VAL H . 18621 1 116 . 1 . 1 13 13 VAL HA H 1 4.11 0.02 . 1 . . . . . 13 VAL HA . 18621 1 117 . 1 . 1 13 13 VAL HB H 1 2.06 0.02 . 1 . . . . . 13 VAL HB . 18621 1 118 . 1 . 1 13 13 VAL HG11 H 1 1.28 0.02 . 1 . . . . . 13 VAL HG1 . 18621 1 119 . 1 . 1 13 13 VAL HG12 H 1 1.28 0.02 . 1 . . . . . 13 VAL HG1 . 18621 1 120 . 1 . 1 13 13 VAL HG13 H 1 1.28 0.02 . 1 . . . . . 13 VAL HG1 . 18621 1 121 . 1 . 1 13 13 VAL HG21 H 1 1.28 0.02 . 1 . . . . . 13 VAL HG2 . 18621 1 122 . 1 . 1 13 13 VAL HG22 H 1 1.28 0.02 . 1 . . . . . 13 VAL HG2 . 18621 1 123 . 1 . 1 13 13 VAL HG23 H 1 1.28 0.02 . 1 . . . . . 13 VAL HG2 . 18621 1 124 . 1 . 1 13 13 VAL C C 13 178.9 0.3 . 1 . . . . . 13 VAL C . 18621 1 125 . 1 . 1 13 13 VAL CA C 13 68.1 0.3 . 1 . . . . . 13 VAL CA . 18621 1 126 . 1 . 1 13 13 VAL CB C 13 32.0 0.3 . 1 . . . . . 13 VAL CB . 18621 1 127 . 1 . 1 13 13 VAL CG1 C 13 24.2 0.3 . 1 . . . . . 13 VAL CG1 . 18621 1 128 . 1 . 1 13 13 VAL CG2 C 13 25.6 0.3 . 1 . . . . . 13 VAL CG2 . 18621 1 129 . 1 . 1 13 13 VAL N N 15 118.5 0.3 . 1 . . . . . 13 VAL N . 18621 1 130 . 1 . 1 14 14 GLU H H 1 9.02 0.02 . 1 . . . . . 14 GLU H . 18621 1 131 . 1 . 1 14 14 GLU HA H 1 3.93 0.02 . 1 . . . . . 14 GLU HA . 18621 1 132 . 1 . 1 14 14 GLU HB2 H 1 2.18 0.02 . 2 . . . . . 14 GLU HB2 . 18621 1 133 . 1 . 1 14 14 GLU HB3 H 1 1.91 0.02 . 2 . . . . . 14 GLU HB3 . 18621 1 134 . 1 . 1 14 14 GLU HG2 H 1 2.79 0.02 . 2 . . . . . 14 GLU HG2 . 18621 1 135 . 1 . 1 14 14 GLU HG3 H 1 1.89 0.02 . 2 . . . . . 14 GLU HG3 . 18621 1 136 . 1 . 1 14 14 GLU C C 13 180.0 0.3 . 1 . . . . . 14 GLU C . 18621 1 137 . 1 . 1 14 14 GLU CA C 13 62.2 0.3 . 1 . . . . . 14 GLU CA . 18621 1 138 . 1 . 1 14 14 GLU CB C 13 29.3 0.3 . 1 . . . . . 14 GLU CB . 18621 1 139 . 1 . 1 14 14 GLU CG C 13 39.5 0.3 . 1 . . . . . 14 GLU CG . 18621 1 140 . 1 . 1 14 14 GLU N N 15 118.3 0.3 . 1 . . . . . 14 GLU N . 18621 1 141 . 1 . 1 15 15 TYR H H 1 7.84 0.02 . 1 . . . . . 15 TYR H . 18621 1 142 . 1 . 1 15 15 TYR HA H 1 4.26 0.02 . 1 . . . . . 15 TYR HA . 18621 1 143 . 1 . 1 15 15 TYR CA C 13 63.2 0.3 . 1 . . . . . 15 TYR CA . 18621 1 144 . 1 . 1 15 15 TYR CB C 13 37.6 0.3 . 1 . . . . . 15 TYR CB . 18621 1 145 . 1 . 1 15 15 TYR CD1 C 13 133.0 0.3 . 1 . . . . . 15 TYR CD1 . 18621 1 146 . 1 . 1 15 15 TYR CE1 C 13 129.2 0.3 . 1 . . . . . 15 TYR CE1 . 18621 1 147 . 1 . 1 15 15 TYR N N 15 119.1 0.3 . 1 . . . . . 15 TYR N . 18621 1 148 . 1 . 1 16 16 TYR H H 1 8.02 0.02 . 1 . . . . . 16 TYR H . 18621 1 149 . 1 . 1 16 16 TYR HA H 1 4.31 0.02 . 1 . . . . . 16 TYR HA . 18621 1 150 . 1 . 1 16 16 TYR HB2 H 1 3.24 0.02 . 2 . . . . . 16 TYR HB2 . 18621 1 151 . 1 . 1 16 16 TYR HB3 H 1 2.89 0.02 . 2 . . . . . 16 TYR HB3 . 18621 1 152 . 1 . 1 16 16 TYR C C 13 178.0 0.3 . 1 . . . . . 16 TYR C . 18621 1 153 . 1 . 1 16 16 TYR CA C 13 60.4 0.3 . 1 . . . . . 16 TYR CA . 18621 1 154 . 1 . 1 16 16 TYR CB C 13 37.9 0.3 . 1 . . . . . 16 TYR CB . 18621 1 155 . 1 . 1 16 16 TYR CD1 C 13 127.6 0.3 . 1 . . . . . 16 TYR CD1 . 18621 1 156 . 1 . 1 16 16 TYR CE1 C 13 130.1 0.3 . 1 . . . . . 16 TYR CE1 . 18621 1 157 . 1 . 1 16 16 TYR N N 15 120.6 0.3 . 1 . . . . . 16 TYR N . 18621 1 158 . 1 . 1 17 17 PHE H H 1 7.55 0.02 . 1 . . . . . 17 PHE H . 18621 1 159 . 1 . 1 17 17 PHE HA H 1 4.35 0.02 . 1 . . . . . 17 PHE HA . 18621 1 160 . 1 . 1 17 17 PHE HB2 H 1 3.19 0.02 . 2 . . . . . 17 PHE HB2 . 18621 1 161 . 1 . 1 17 17 PHE HB3 H 1 2.62 0.02 . 2 . . . . . 17 PHE HB3 . 18621 1 162 . 1 . 1 17 17 PHE C C 13 174.6 0.3 . 1 . . . . . 17 PHE C . 18621 1 163 . 1 . 1 17 17 PHE CA C 13 61.0 0.3 . 1 . . . . . 17 PHE CA . 18621 1 164 . 1 . 1 17 17 PHE CB C 13 41.6 0.3 . 1 . . . . . 17 PHE CB . 18621 1 165 . 1 . 1 17 17 PHE CD1 C 13 131.7 0.3 . 1 . . . . . 17 PHE CD1 . 18621 1 166 . 1 . 1 17 17 PHE CE1 C 13 129.6 0.3 . 1 . . . . . 17 PHE CE1 . 18621 1 167 . 1 . 1 17 17 PHE N N 15 112.1 0.3 . 1 . . . . . 17 PHE N . 18621 1 168 . 1 . 1 18 18 SER H H 1 7.90 0.02 . 1 . . . . . 18 SER H . 18621 1 169 . 1 . 1 18 18 SER HA H 1 4.41 0.02 . 1 . . . . . 18 SER HA . 18621 1 170 . 1 . 1 18 18 SER HB2 H 1 4.51 0.02 . 2 . . . . . 18 SER HB2 . 18621 1 171 . 1 . 1 18 18 SER HB3 H 1 4.30 0.02 . 2 . . . . . 18 SER HB3 . 18621 1 172 . 1 . 1 18 18 SER C C 13 175.3 0.3 . 1 . . . . . 18 SER C . 18621 1 173 . 1 . 1 18 18 SER CA C 13 60.0 0.3 . 1 . . . . . 18 SER CA . 18621 1 174 . 1 . 1 18 18 SER CB C 13 66.4 0.3 . 1 . . . . . 18 SER CB . 18621 1 175 . 1 . 1 18 18 SER N N 15 118.8 0.3 . 1 . . . . . 18 SER N . 18621 1 176 . 1 . 1 19 19 ASP HA H 1 4.32 0.02 . 1 . . . . . 19 ASP HA . 18621 1 177 . 1 . 1 19 19 ASP C C 13 176.6 0.3 . 1 . . . . . 19 ASP C . 18621 1 178 . 1 . 1 19 19 ASP CA C 13 58.2 0.3 . 1 . . . . . 19 ASP CA . 18621 1 179 . 1 . 1 19 19 ASP CB C 13 40.7 0.3 . 1 . . . . . 19 ASP CB . 18621 1 180 . 1 . 1 20 20 SER H H 1 7.67 0.02 . 1 . . . . . 20 SER H . 18621 1 181 . 1 . 1 20 20 SER HA H 1 4.35 0.02 . 1 . . . . . 20 SER HA . 18621 1 182 . 1 . 1 20 20 SER HB2 H 1 3.95 0.02 . 2 . . . . . 20 SER HB2 . 18621 1 183 . 1 . 1 20 20 SER HB3 H 1 3.73 0.02 . 2 . . . . . 20 SER HB3 . 18621 1 184 . 1 . 1 20 20 SER C C 13 173.8 0.3 . 1 . . . . . 20 SER C . 18621 1 185 . 1 . 1 20 20 SER CA C 13 61.1 0.3 . 1 . . . . . 20 SER CA . 18621 1 186 . 1 . 1 20 20 SER CB C 13 64.3 0.3 . 1 . . . . . 20 SER CB . 18621 1 187 . 1 . 1 20 20 SER N N 15 111.4 0.3 . 1 . . . . . 20 SER N . 18621 1 188 . 1 . 1 21 21 ASN H H 1 7.43 0.02 . 1 . . . . . 21 ASN H . 18621 1 189 . 1 . 1 21 21 ASN HA H 1 4.80 0.02 . 1 . . . . . 21 ASN HA . 18621 1 190 . 1 . 1 21 21 ASN HB2 H 1 2.65 0.02 . 2 . . . . . 21 ASN HB2 . 18621 1 191 . 1 . 1 21 21 ASN HB3 H 1 1.89 0.02 . 2 . . . . . 21 ASN HB3 . 18621 1 192 . 1 . 1 21 21 ASN C C 13 174.3 0.3 . 1 . . . . . 21 ASN C . 18621 1 193 . 1 . 1 21 21 ASN CA C 13 57.0 0.3 . 1 . . . . . 21 ASN CA . 18621 1 194 . 1 . 1 21 21 ASN CB C 13 44.1 0.3 . 1 . . . . . 21 ASN CB . 18621 1 195 . 1 . 1 21 21 ASN N N 15 116.5 0.3 . 1 . . . . . 21 ASN N . 18621 1 196 . 1 . 1 22 22 PHE H H 1 8.59 0.02 . 1 . . . . . 22 PHE H . 18621 1 197 . 1 . 1 22 22 PHE HA H 1 4.23 0.02 . 1 . . . . . 22 PHE HA . 18621 1 198 . 1 . 1 22 22 PHE HB2 H 1 3.59 0.02 . 2 . . . . . 22 PHE HB2 . 18621 1 199 . 1 . 1 22 22 PHE HB3 H 1 2.90 0.02 . 2 . . . . . 22 PHE HB3 . 18621 1 200 . 1 . 1 22 22 PHE C C 13 173.1 0.3 . 1 . . . . . 22 PHE C . 18621 1 201 . 1 . 1 22 22 PHE CA C 13 64.6 0.3 . 1 . . . . . 22 PHE CA . 18621 1 202 . 1 . 1 22 22 PHE CB C 13 38.5 0.3 . 1 . . . . . 22 PHE CB . 18621 1 203 . 1 . 1 22 22 PHE CD1 C 13 131.5 0.3 . 1 . . . . . 22 PHE CD1 . 18621 1 204 . 1 . 1 22 22 PHE CE1 C 13 120.0 0.3 . 1 . . . . . 22 PHE CE1 . 18621 1 205 . 1 . 1 22 22 PHE N N 15 121.0 0.3 . 1 . . . . . 22 PHE N . 18621 1 206 . 1 . 1 23 23 PRO HA H 1 4.10 0.02 . 1 . . . . . 23 PRO HA . 18621 1 207 . 1 . 1 23 23 PRO HB2 H 1 2.37 0.02 . 2 . . . . . 23 PRO HB2 . 18621 1 208 . 1 . 1 23 23 PRO HB3 H 1 1.75 0.02 . 2 . . . . . 23 PRO HB3 . 18621 1 209 . 1 . 1 23 23 PRO HG2 H 1 2.27 0.02 . 2 . . . . . 23 PRO HG2 . 18621 1 210 . 1 . 1 23 23 PRO HG3 H 1 1.90 0.02 . 2 . . . . . 23 PRO HG3 . 18621 1 211 . 1 . 1 23 23 PRO HD2 H 1 4.03 0.02 . 2 . . . . . 23 PRO HD2 . 18621 1 212 . 1 . 1 23 23 PRO HD3 H 1 3.43 0.02 . 2 . . . . . 23 PRO HD3 . 18621 1 213 . 1 . 1 23 23 PRO C C 13 177.1 0.3 . 1 . . . . . 23 PRO C . 18621 1 214 . 1 . 1 23 23 PRO CA C 13 67.0 0.3 . 1 . . . . . 23 PRO CA . 18621 1 215 . 1 . 1 23 23 PRO CB C 13 32.4 0.3 . 1 . . . . . 23 PRO CB . 18621 1 216 . 1 . 1 23 23 PRO CG C 13 29.6 0.3 . 1 . . . . . 23 PRO CG . 18621 1 217 . 1 . 1 23 23 PRO CD C 13 51.7 0.3 . 1 . . . . . 23 PRO CD . 18621 1 218 . 1 . 1 24 24 ARG H H 1 7.04 0.02 . 1 . . . . . 24 ARG H . 18621 1 219 . 1 . 1 24 24 ARG HA H 1 4.40 0.02 . 1 . . . . . 24 ARG HA . 18621 1 220 . 1 . 1 24 24 ARG HB2 H 1 1.96 0.02 . 2 . . . . . 24 ARG HB2 . 18621 1 221 . 1 . 1 24 24 ARG HB3 H 1 1.74 0.02 . 2 . . . . . 24 ARG HB3 . 18621 1 222 . 1 . 1 24 24 ARG C C 13 174.6 0.3 . 1 . . . . . 24 ARG C . 18621 1 223 . 1 . 1 24 24 ARG CA C 13 55.6 0.3 . 1 . . . . . 24 ARG CA . 18621 1 224 . 1 . 1 24 24 ARG CB C 13 31.7 0.3 . 1 . . . . . 24 ARG CB . 18621 1 225 . 1 . 1 24 24 ARG CG C 13 28.1 0.3 . 1 . . . . . 24 ARG CG . 18621 1 226 . 1 . 1 24 24 ARG CD C 13 44.3 0.3 . 1 . . . . . 24 ARG CD . 18621 1 227 . 1 . 1 24 24 ARG N N 15 111.1 0.3 . 1 . . . . . 24 ARG N . 18621 1 228 . 1 . 1 25 25 ASP H H 1 7.47 0.02 . 1 . . . . . 25 ASP H . 18621 1 229 . 1 . 1 25 25 ASP HA H 1 4.56 0.02 . 1 . . . . . 25 ASP HA . 18621 1 230 . 1 . 1 25 25 ASP HB2 H 1 2.95 0.02 . 2 . . . . . 25 ASP HB2 . 18621 1 231 . 1 . 1 25 25 ASP HB3 H 1 2.39 0.02 . 2 . . . . . 25 ASP HB3 . 18621 1 232 . 1 . 1 25 25 ASP CA C 13 54.2 0.3 . 1 . . . . . 25 ASP CA . 18621 1 233 . 1 . 1 25 25 ASP CB C 13 42.1 0.3 . 1 . . . . . 25 ASP CB . 18621 1 234 . 1 . 1 25 25 ASP N N 15 123.2 0.3 . 1 . . . . . 25 ASP N . 18621 1 235 . 1 . 1 26 26 LYS H H 1 8.31 0.02 . 1 . . . . . 26 LYS H . 18621 1 236 . 1 . 1 26 26 LYS HA H 1 3.73 0.02 . 1 . . . . . 26 LYS HA . 18621 1 237 . 1 . 1 26 26 LYS HB2 H 1 1.82 0.02 . 1 . . . . . 26 LYS HB2 . 18621 1 238 . 1 . 1 26 26 LYS HG2 H 1 1.52 0.02 . 2 . . . . . 26 LYS HG2 . 18621 1 239 . 1 . 1 26 26 LYS HG3 H 1 1.40 0.02 . 2 . . . . . 26 LYS HG3 . 18621 1 240 . 1 . 1 26 26 LYS C C 13 179.0 0.3 . 1 . . . . . 26 LYS C . 18621 1 241 . 1 . 1 26 26 LYS CA C 13 60.8 0.3 . 1 . . . . . 26 LYS CA . 18621 1 242 . 1 . 1 26 26 LYS CB C 13 33.4 0.3 . 1 . . . . . 26 LYS CB . 18621 1 243 . 1 . 1 26 26 LYS CG C 13 26.2 0.3 . 1 . . . . . 26 LYS CG . 18621 1 244 . 1 . 1 26 26 LYS CD C 13 30.1 0.3 . 1 . . . . . 26 LYS CD . 18621 1 245 . 1 . 1 26 26 LYS CE C 13 43.0 0.3 . 1 . . . . . 26 LYS CE . 18621 1 246 . 1 . 1 26 26 LYS N N 15 125.2 0.3 . 1 . . . . . 26 LYS N . 18621 1 247 . 1 . 1 27 27 PHE H H 1 8.33 0.02 . 1 . . . . . 27 PHE H . 18621 1 248 . 1 . 1 27 27 PHE HA H 1 4.32 0.02 . 1 . . . . . 27 PHE HA . 18621 1 249 . 1 . 1 27 27 PHE HB2 H 1 3.24 0.02 . 2 . . . . . 27 PHE HB2 . 18621 1 250 . 1 . 1 27 27 PHE HB3 H 1 3.08 0.02 . 2 . . . . . 27 PHE HB3 . 18621 1 251 . 1 . 1 27 27 PHE C C 13 177.7 0.3 . 1 . . . . . 27 PHE C . 18621 1 252 . 1 . 1 27 27 PHE CA C 13 62.1 0.3 . 1 . . . . . 27 PHE CA . 18621 1 253 . 1 . 1 27 27 PHE CB C 13 39.8 0.3 . 1 . . . . . 27 PHE CB . 18621 1 254 . 1 . 1 27 27 PHE CD1 C 13 131.2 0.3 . 1 . . . . . 27 PHE CD1 . 18621 1 255 . 1 . 1 27 27 PHE CE1 C 13 118.9 0.3 . 1 . . . . . 27 PHE CE1 . 18621 1 256 . 1 . 1 27 27 PHE N N 15 119.8 0.3 . 1 . . . . . 27 PHE N . 18621 1 257 . 1 . 1 28 28 LEU H H 1 8.37 0.02 . 1 . . . . . 28 LEU H . 18621 1 258 . 1 . 1 28 28 LEU HA H 1 3.68 0.02 . 1 . . . . . 28 LEU HA . 18621 1 259 . 1 . 1 28 28 LEU HB2 H 1 1.47 0.02 . 2 . . . . . 28 LEU HB2 . 18621 1 260 . 1 . 1 28 28 LEU HB3 H 1 1.22 0.02 . 2 . . . . . 28 LEU HB3 . 18621 1 261 . 1 . 1 28 28 LEU HG H 1 0.57 0.02 . 1 . . . . . 28 LEU HG . 18621 1 262 . 1 . 1 28 28 LEU C C 13 179.3 0.3 . 1 . . . . . 28 LEU C . 18621 1 263 . 1 . 1 28 28 LEU CA C 13 58.7 0.3 . 1 . . . . . 28 LEU CA . 18621 1 264 . 1 . 1 28 28 LEU CB C 13 42.4 0.3 . 1 . . . . . 28 LEU CB . 18621 1 265 . 1 . 1 28 28 LEU CG C 13 27.6 0.3 . 1 . . . . . 28 LEU CG . 18621 1 266 . 1 . 1 28 28 LEU CD1 C 13 24.0 0.3 . 1 . . . . . 28 LEU CD1 . 18621 1 267 . 1 . 1 28 28 LEU CD2 C 13 23.7 0.3 . 1 . . . . . 28 LEU CD2 . 18621 1 268 . 1 . 1 28 28 LEU N N 15 120.3 0.3 . 1 . . . . . 28 LEU N . 18621 1 269 . 1 . 1 29 29 ARG H H 1 8.44 0.02 . 1 . . . . . 29 ARG H . 18621 1 270 . 1 . 1 29 29 ARG HA H 1 3.71 0.02 . 1 . . . . . 29 ARG HA . 18621 1 271 . 1 . 1 29 29 ARG HB2 H 1 1.66 0.02 . 2 . . . . . 29 ARG HB2 . 18621 1 272 . 1 . 1 29 29 ARG HB3 H 1 1.57 0.02 . 2 . . . . . 29 ARG HB3 . 18621 1 273 . 1 . 1 29 29 ARG HG2 H 1 1.46 0.02 . 2 . . . . . 29 ARG HG2 . 18621 1 274 . 1 . 1 29 29 ARG HG3 H 1 1.15 0.02 . 2 . . . . . 29 ARG HG3 . 18621 1 275 . 1 . 1 29 29 ARG HD2 H 1 3.02 0.02 . 2 . . . . . 29 ARG HD2 . 18621 1 276 . 1 . 1 29 29 ARG HD3 H 1 2.85 0.02 . 2 . . . . . 29 ARG HD3 . 18621 1 277 . 1 . 1 29 29 ARG C C 13 179.9 0.3 . 1 . . . . . 29 ARG C . 18621 1 278 . 1 . 1 29 29 ARG CA C 13 60.3 0.3 . 1 . . . . . 29 ARG CA . 18621 1 279 . 1 . 1 29 29 ARG CB C 13 30.3 0.3 . 1 . . . . . 29 ARG CB . 18621 1 280 . 1 . 1 29 29 ARG CG C 13 28.0 0.3 . 1 . . . . . 29 ARG CG . 18621 1 281 . 1 . 1 29 29 ARG CD C 13 43.9 0.3 . 1 . . . . . 29 ARG CD . 18621 1 282 . 1 . 1 29 29 ARG N N 15 116.8 0.3 . 1 . . . . . 29 ARG N . 18621 1 283 . 1 . 1 30 30 SER H H 1 7.83 0.02 . 1 . . . . . 30 SER H . 18621 1 284 . 1 . 1 30 30 SER HA H 1 4.18 0.02 . 1 . . . . . 30 SER HA . 18621 1 285 . 1 . 1 30 30 SER CA C 13 62.3 0.3 . 1 . . . . . 30 SER CA . 18621 1 286 . 1 . 1 30 30 SER CB C 13 63.2 0.3 . 1 . . . . . 30 SER CB . 18621 1 287 . 1 . 1 30 30 SER N N 15 115.8 0.3 . 1 . . . . . 30 SER N . 18621 1 288 . 1 . 1 31 31 GLU H H 1 7.94 0.02 . 1 . . . . . 31 GLU H . 18621 1 289 . 1 . 1 31 31 GLU HA H 1 3.89 0.02 . 1 . . . . . 31 GLU HA . 18621 1 290 . 1 . 1 31 31 GLU HB2 H 1 2.04 0.02 . 2 . . . . . 31 GLU HB2 . 18621 1 291 . 1 . 1 31 31 GLU HB3 H 1 1.85 0.02 . 2 . . . . . 31 GLU HB3 . 18621 1 292 . 1 . 1 31 31 GLU HG2 H 1 1.74 0.02 . 2 . . . . . 31 GLU HG2 . 18621 1 293 . 1 . 1 31 31 GLU HG3 H 1 1.68 0.02 . 2 . . . . . 31 GLU HG3 . 18621 1 294 . 1 . 1 31 31 GLU C C 13 180.0 0.3 . 1 . . . . . 31 GLU C . 18621 1 295 . 1 . 1 31 31 GLU CA C 13 59.7 0.3 . 1 . . . . . 31 GLU CA . 18621 1 296 . 1 . 1 31 31 GLU CB C 13 31.0 0.3 . 1 . . . . . 31 GLU CB . 18621 1 297 . 1 . 1 31 31 GLU CG C 13 37.5 0.3 . 1 . . . . . 31 GLU CG . 18621 1 298 . 1 . 1 31 31 GLU N N 15 122.2 0.3 . 1 . . . . . 31 GLU N . 18621 1 299 . 1 . 1 32 32 ALA H H 1 8.54 0.02 . 1 . . . . . 32 ALA H . 18621 1 300 . 1 . 1 32 32 ALA HA H 1 3.92 0.02 . 1 . . . . . 32 ALA HA . 18621 1 301 . 1 . 1 32 32 ALA HB1 H 1 1.63 0.02 . 1 . . . . . 32 ALA HB . 18621 1 302 . 1 . 1 32 32 ALA HB2 H 1 1.63 0.02 . 1 . . . . . 32 ALA HB . 18621 1 303 . 1 . 1 32 32 ALA HB3 H 1 1.63 0.02 . 1 . . . . . 32 ALA HB . 18621 1 304 . 1 . 1 32 32 ALA C C 13 178.3 0.3 . 1 . . . . . 32 ALA C . 18621 1 305 . 1 . 1 32 32 ALA CA C 13 56.0 0.3 . 1 . . . . . 32 ALA CA . 18621 1 306 . 1 . 1 32 32 ALA CB C 13 19.1 0.3 . 1 . . . . . 32 ALA CB . 18621 1 307 . 1 . 1 32 32 ALA N N 15 123.9 0.3 . 1 . . . . . 32 ALA N . 18621 1 308 . 1 . 1 33 33 ALA H H 1 7.31 0.02 . 1 . . . . . 33 ALA H . 18621 1 309 . 1 . 1 33 33 ALA HA H 1 4.28 0.02 . 1 . . . . . 33 ALA HA . 18621 1 310 . 1 . 1 33 33 ALA HB1 H 1 1.47 0.02 . 1 . . . . . 33 ALA HB . 18621 1 311 . 1 . 1 33 33 ALA HB2 H 1 1.47 0.02 . 1 . . . . . 33 ALA HB . 18621 1 312 . 1 . 1 33 33 ALA HB3 H 1 1.47 0.02 . 1 . . . . . 33 ALA HB . 18621 1 313 . 1 . 1 33 33 ALA C C 13 178.7 0.3 . 1 . . . . . 33 ALA C . 18621 1 314 . 1 . 1 33 33 ALA CA C 13 54.1 0.3 . 1 . . . . . 33 ALA CA . 18621 1 315 . 1 . 1 33 33 ALA CB C 13 19.5 0.3 . 1 . . . . . 33 ALA CB . 18621 1 316 . 1 . 1 33 33 ALA N N 15 114.8 0.3 . 1 . . . . . 33 ALA N . 18621 1 317 . 1 . 1 34 34 LYS H H 1 7.34 0.02 . 1 . . . . . 34 LYS H . 18621 1 318 . 1 . 1 34 34 LYS HA H 1 4.12 0.02 . 1 . . . . . 34 LYS HA . 18621 1 319 . 1 . 1 34 34 LYS HB2 H 1 2.01 0.02 . 2 . . . . . 34 LYS HB2 . 18621 1 320 . 1 . 1 34 34 LYS HB3 H 1 1.85 0.02 . 2 . . . . . 34 LYS HB3 . 18621 1 321 . 1 . 1 34 34 LYS HG2 H 1 1.76 0.02 . 2 . . . . . 34 LYS HG2 . 18621 1 322 . 1 . 1 34 34 LYS HG3 H 1 1.37 0.02 . 2 . . . . . 34 LYS HG3 . 18621 1 323 . 1 . 1 34 34 LYS HD2 H 1 1.70 0.02 . 2 . . . . . 34 LYS HD2 . 18621 1 324 . 1 . 1 34 34 LYS HD3 H 1 1.60 0.02 . 2 . . . . . 34 LYS HD3 . 18621 1 325 . 1 . 1 34 34 LYS C C 13 175.6 0.3 . 1 . . . . . 34 LYS C . 18621 1 326 . 1 . 1 34 34 LYS CA C 13 58.8 0.3 . 1 . . . . . 34 LYS CA . 18621 1 327 . 1 . 1 34 34 LYS CB C 13 34.4 0.3 . 1 . . . . . 34 LYS CB . 18621 1 328 . 1 . 1 34 34 LYS CG C 13 26.5 0.3 . 1 . . . . . 34 LYS CG . 18621 1 329 . 1 . 1 34 34 LYS CD C 13 30.9 0.3 . 1 . . . . . 34 LYS CD . 18621 1 330 . 1 . 1 34 34 LYS CE C 13 43.2 0.3 . 1 . . . . . 34 LYS CE . 18621 1 331 . 1 . 1 34 34 LYS N N 15 115.8 0.3 . 1 . . . . . 34 LYS N . 18621 1 332 . 1 . 1 35 35 ASN H H 1 7.78 0.02 . 1 . . . . . 35 ASN H . 18621 1 333 . 1 . 1 35 35 ASN HA H 1 5.13 0.02 . 1 . . . . . 35 ASN HA . 18621 1 334 . 1 . 1 35 35 ASN HB2 H 1 2.97 0.02 . 2 . . . . . 35 ASN HB2 . 18621 1 335 . 1 . 1 35 35 ASN HB3 H 1 2.82 0.02 . 2 . . . . . 35 ASN HB3 . 18621 1 336 . 1 . 1 35 35 ASN HD21 H 1 6.90 0.02 . 1 . . . . . 35 ASN HD21 . 18621 1 337 . 1 . 1 35 35 ASN HD22 H 1 7.63 0.02 . 1 . . . . . 35 ASN HD22 . 18621 1 338 . 1 . 1 35 35 ASN C C 13 176.0 0.3 . 1 . . . . . 35 ASN C . 18621 1 339 . 1 . 1 35 35 ASN CA C 13 53.4 0.3 . 1 . . . . . 35 ASN CA . 18621 1 340 . 1 . 1 35 35 ASN CB C 13 45.0 0.3 . 1 . . . . . 35 ASN CB . 18621 1 341 . 1 . 1 35 35 ASN N N 15 117.3 0.3 . 1 . . . . . 35 ASN N . 18621 1 342 . 1 . 1 35 35 ASN ND2 N 15 112.8 0.3 . 1 . . . . . 35 ASN ND2 . 18621 1 343 . 1 . 1 36 36 VAL H H 1 8.78 0.02 . 1 . . . . . 36 VAL H . 18621 1 344 . 1 . 1 36 36 VAL HA H 1 3.96 0.02 . 1 . . . . . 36 VAL HA . 18621 1 345 . 1 . 1 36 36 VAL HB H 1 2.16 0.02 . 1 . . . . . 36 VAL HB . 18621 1 346 . 1 . 1 36 36 VAL C C 13 175.3 0.3 . 1 . . . . . 36 VAL C . 18621 1 347 . 1 . 1 36 36 VAL CA C 13 65.5 0.3 . 1 . . . . . 36 VAL CA . 18621 1 348 . 1 . 1 36 36 VAL CB C 13 32.5 0.3 . 1 . . . . . 36 VAL CB . 18621 1 349 . 1 . 1 36 36 VAL CG1 C 13 21.2 0.3 . 1 . . . . . 36 VAL CG1 . 18621 1 350 . 1 . 1 36 36 VAL CG2 C 13 21.6 0.3 . 1 . . . . . 36 VAL CG2 . 18621 1 351 . 1 . 1 36 36 VAL N N 15 123.3 0.3 . 1 . . . . . 36 VAL N . 18621 1 352 . 1 . 1 37 37 ASP HA H 1 4.68 0.02 . 1 . . . . . 37 ASP HA . 18621 1 353 . 1 . 1 37 37 ASP C C 13 174.8 0.3 . 1 . . . . . 37 ASP C . 18621 1 354 . 1 . 1 37 37 ASP CA C 13 55.6 0.3 . 1 . . . . . 37 ASP CA . 18621 1 355 . 1 . 1 37 37 ASP CB C 13 43.8 0.3 . 1 . . . . . 37 ASP CB . 18621 1 356 . 1 . 1 38 38 ASN H H 1 8.16 0.02 . 1 . . . . . 38 ASN H . 18621 1 357 . 1 . 1 38 38 ASN HA H 1 4.79 0.02 . 1 . . . . . 38 ASN HA . 18621 1 358 . 1 . 1 38 38 ASN HB2 H 1 3.19 0.02 . 2 . . . . . 38 ASN HB2 . 18621 1 359 . 1 . 1 38 38 ASN HB3 H 1 3.01 0.02 . 2 . . . . . 38 ASN HB3 . 18621 1 360 . 1 . 1 38 38 ASN HD21 H 1 7.33 0.02 . 1 . . . . . 38 ASN HD21 . 18621 1 361 . 1 . 1 38 38 ASN HD22 H 1 6.95 0.02 . 1 . . . . . 38 ASN HD22 . 18621 1 362 . 1 . 1 38 38 ASN C C 13 173.9 0.3 . 1 . . . . . 38 ASN C . 18621 1 363 . 1 . 1 38 38 ASN CA C 13 55.7 0.3 . 1 . . . . . 38 ASN CA . 18621 1 364 . 1 . 1 38 38 ASN CB C 13 38.6 0.3 . 1 . . . . . 38 ASN CB . 18621 1 365 . 1 . 1 38 38 ASN N N 15 111.4 0.3 . 1 . . . . . 38 ASN N . 18621 1 366 . 1 . 1 38 38 ASN ND2 N 15 113.1 0.3 . 1 . . . . . 38 ASN ND2 . 18621 1 367 . 1 . 1 39 39 TYR H H 1 7.92 0.02 . 1 . . . . . 39 TYR H . 18621 1 368 . 1 . 1 39 39 TYR HA H 1 4.82 0.02 . 1 . . . . . 39 TYR HA . 18621 1 369 . 1 . 1 39 39 TYR HB2 H 1 3.00 0.02 . 2 . . . . . 39 TYR HB2 . 18621 1 370 . 1 . 1 39 39 TYR HB3 H 1 2.61 0.02 . 2 . . . . . 39 TYR HB3 . 18621 1 371 . 1 . 1 39 39 TYR C C 13 176.3 0.3 . 1 . . . . . 39 TYR C . 18621 1 372 . 1 . 1 39 39 TYR CA C 13 61.0 0.3 . 1 . . . . . 39 TYR CA . 18621 1 373 . 1 . 1 39 39 TYR CB C 13 41.9 0.3 . 1 . . . . . 39 TYR CB . 18621 1 374 . 1 . 1 39 39 TYR CD1 C 13 132.9 0.3 . 1 . . . . . 39 TYR CD1 . 18621 1 375 . 1 . 1 39 39 TYR CE1 C 13 118.1 0.3 . 1 . . . . . 39 TYR CE1 . 18621 1 376 . 1 . 1 39 39 TYR N N 15 115.6 0.3 . 1 . . . . . 39 TYR N . 18621 1 377 . 1 . 1 40 40 ILE H H 1 9.40 0.02 . 1 . . . . . 40 ILE H . 18621 1 378 . 1 . 1 40 40 ILE HA H 1 4.23 0.02 . 1 . . . . . 40 ILE HA . 18621 1 379 . 1 . 1 40 40 ILE HB H 1 1.90 0.02 . 1 . . . . . 40 ILE HB . 18621 1 380 . 1 . 1 40 40 ILE HG12 H 1 2.04 0.02 . 2 . . . . . 40 ILE HG12 . 18621 1 381 . 1 . 1 40 40 ILE HG13 H 1 0.88 0.02 . 2 . . . . . 40 ILE HG13 . 18621 1 382 . 1 . 1 40 40 ILE HG21 H 1 1.04 0.02 . 1 . . . . . 40 ILE HG2 . 18621 1 383 . 1 . 1 40 40 ILE HG22 H 1 1.04 0.02 . 1 . . . . . 40 ILE HG2 . 18621 1 384 . 1 . 1 40 40 ILE HG23 H 1 1.04 0.02 . 1 . . . . . 40 ILE HG2 . 18621 1 385 . 1 . 1 40 40 ILE HD11 H 1 1.14 0.02 . 1 . . . . . 40 ILE HD1 . 18621 1 386 . 1 . 1 40 40 ILE HD12 H 1 1.14 0.02 . 1 . . . . . 40 ILE HD1 . 18621 1 387 . 1 . 1 40 40 ILE HD13 H 1 1.14 0.02 . 1 . . . . . 40 ILE HD1 . 18621 1 388 . 1 . 1 40 40 ILE C C 13 175.6 0.3 . 1 . . . . . 40 ILE C . 18621 1 389 . 1 . 1 40 40 ILE CA C 13 61.6 0.3 . 1 . . . . . 40 ILE CA . 18621 1 390 . 1 . 1 40 40 ILE CB C 13 42.9 0.3 . 1 . . . . . 40 ILE CB . 18621 1 391 . 1 . 1 40 40 ILE CG1 C 13 28.6 0.3 . 1 . . . . . 40 ILE CG1 . 18621 1 392 . 1 . 1 40 40 ILE CG2 C 13 17.7 0.3 . 1 . . . . . 40 ILE CG2 . 18621 1 393 . 1 . 1 40 40 ILE CD1 C 13 16.6 0.3 . 1 . . . . . 40 ILE CD1 . 18621 1 394 . 1 . 1 40 40 ILE N N 15 119.5 0.3 . 1 . . . . . 40 ILE N . 18621 1 395 . 1 . 1 41 41 SER H H 1 9.16 0.02 . 1 . . . . . 41 SER H . 18621 1 396 . 1 . 1 41 41 SER HA H 1 4.62 0.02 . 1 . . . . . 41 SER HA . 18621 1 397 . 1 . 1 41 41 SER C C 13 176.2 0.3 . 1 . . . . . 41 SER C . 18621 1 398 . 1 . 1 41 41 SER CA C 13 61.0 0.3 . 1 . . . . . 41 SER CA . 18621 1 399 . 1 . 1 41 41 SER CB C 13 64.2 0.3 . 1 . . . . . 41 SER CB . 18621 1 400 . 1 . 1 41 41 SER N N 15 123.1 0.3 . 1 . . . . . 41 SER N . 18621 1 401 . 1 . 1 42 42 ILE H H 1 9.06 0.02 . 1 . . . . . 42 ILE H . 18621 1 402 . 1 . 1 42 42 ILE HA H 1 3.44 0.02 . 1 . . . . . 42 ILE HA . 18621 1 403 . 1 . 1 42 42 ILE HB H 1 1.62 0.02 . 1 . . . . . 42 ILE HB . 18621 1 404 . 1 . 1 42 42 ILE HG12 H 1 1.54 0.02 . 2 . . . . . 42 ILE HG12 . 18621 1 405 . 1 . 1 42 42 ILE HG13 H 1 0.66 0.02 . 2 . . . . . 42 ILE HG13 . 18621 1 406 . 1 . 1 42 42 ILE HG21 H 1 0.76 0.02 . 1 . . . . . 42 ILE HG2 . 18621 1 407 . 1 . 1 42 42 ILE HG22 H 1 0.76 0.02 . 1 . . . . . 42 ILE HG2 . 18621 1 408 . 1 . 1 42 42 ILE HG23 H 1 0.76 0.02 . 1 . . . . . 42 ILE HG2 . 18621 1 409 . 1 . 1 42 42 ILE HD11 H 1 0.79 0.02 . 1 . . . . . 42 ILE HD1 . 18621 1 410 . 1 . 1 42 42 ILE HD12 H 1 0.79 0.02 . 1 . . . . . 42 ILE HD1 . 18621 1 411 . 1 . 1 42 42 ILE HD13 H 1 0.79 0.02 . 1 . . . . . 42 ILE HD1 . 18621 1 412 . 1 . 1 42 42 ILE C C 13 176.6 0.3 . 1 . . . . . 42 ILE C . 18621 1 413 . 1 . 1 42 42 ILE CA C 13 67.4 0.3 . 1 . . . . . 42 ILE CA . 18621 1 414 . 1 . 1 42 42 ILE CB C 13 38.5 0.3 . 1 . . . . . 42 ILE CB . 18621 1 415 . 1 . 1 42 42 ILE CG1 C 13 32.8 0.3 . 1 . . . . . 42 ILE CG1 . 18621 1 416 . 1 . 1 42 42 ILE CG2 C 13 18.2 0.3 . 1 . . . . . 42 ILE CG2 . 18621 1 417 . 1 . 1 42 42 ILE CD1 C 13 15.1 0.3 . 1 . . . . . 42 ILE CD1 . 18621 1 418 . 1 . 1 42 42 ILE N N 15 129.5 0.3 . 1 . . . . . 42 ILE N . 18621 1 419 . 1 . 1 43 43 ASP H H 1 8.50 0.02 . 1 . . . . . 43 ASP H . 18621 1 420 . 1 . 1 43 43 ASP HA H 1 4.11 0.02 . 1 . . . . . 43 ASP HA . 18621 1 421 . 1 . 1 43 43 ASP HB2 H 1 2.64 0.02 . 2 . . . . . 43 ASP HB2 . 18621 1 422 . 1 . 1 43 43 ASP HB3 H 1 2.54 0.02 . 2 . . . . . 43 ASP HB3 . 18621 1 423 . 1 . 1 43 43 ASP C C 13 178.2 0.3 . 1 . . . . . 43 ASP C . 18621 1 424 . 1 . 1 43 43 ASP CA C 13 58.0 0.3 . 1 . . . . . 43 ASP CA . 18621 1 425 . 1 . 1 43 43 ASP CB C 13 40.9 0.3 . 1 . . . . . 43 ASP CB . 18621 1 426 . 1 . 1 43 43 ASP N N 15 118.7 0.3 . 1 . . . . . 43 ASP N . 18621 1 427 . 1 . 1 44 44 VAL H H 1 7.21 0.02 . 1 . . . . . 44 VAL H . 18621 1 428 . 1 . 1 44 44 VAL HA H 1 3.64 0.02 . 1 . . . . . 44 VAL HA . 18621 1 429 . 1 . 1 44 44 VAL HB H 1 2.29 0.02 . 1 . . . . . 44 VAL HB . 18621 1 430 . 1 . 1 44 44 VAL HG11 H 1 0.92 0.02 . 1 . . . . . 44 VAL HG1 . 18621 1 431 . 1 . 1 44 44 VAL HG12 H 1 0.92 0.02 . 1 . . . . . 44 VAL HG1 . 18621 1 432 . 1 . 1 44 44 VAL HG13 H 1 0.92 0.02 . 1 . . . . . 44 VAL HG1 . 18621 1 433 . 1 . 1 44 44 VAL HG21 H 1 1.08 0.02 . 1 . . . . . 44 VAL HG2 . 18621 1 434 . 1 . 1 44 44 VAL HG22 H 1 1.08 0.02 . 1 . . . . . 44 VAL HG2 . 18621 1 435 . 1 . 1 44 44 VAL HG23 H 1 1.08 0.02 . 1 . . . . . 44 VAL HG2 . 18621 1 436 . 1 . 1 44 44 VAL C C 13 178.5 0.3 . 1 . . . . . 44 VAL C . 18621 1 437 . 1 . 1 44 44 VAL CA C 13 66.6 0.3 . 1 . . . . . 44 VAL CA . 18621 1 438 . 1 . 1 44 44 VAL CB C 13 32.5 0.3 . 1 . . . . . 44 VAL CB . 18621 1 439 . 1 . 1 44 44 VAL CG1 C 13 21.6 0.3 . 1 . . . . . 44 VAL CG1 . 18621 1 440 . 1 . 1 44 44 VAL CG2 C 13 23.6 0.3 . 1 . . . . . 44 VAL CG2 . 18621 1 441 . 1 . 1 44 44 VAL N N 15 120.5 0.3 . 1 . . . . . 44 VAL N . 18621 1 442 . 1 . 1 45 45 ILE H H 1 7.02 0.02 . 1 . . . . . 45 ILE H . 18621 1 443 . 1 . 1 45 45 ILE HA H 1 2.81 0.02 . 1 . . . . . 45 ILE HA . 18621 1 444 . 1 . 1 45 45 ILE HB H 1 1.88 0.02 . 1 . . . . . 45 ILE HB . 18621 1 445 . 1 . 1 45 45 ILE HG12 H 1 1.55 0.02 . 2 . . . . . 45 ILE HG12 . 18621 1 446 . 1 . 1 45 45 ILE HG13 H 1 1.05 0.02 . 2 . . . . . 45 ILE HG13 . 18621 1 447 . 1 . 1 45 45 ILE HG21 H 1 0.99 0.02 . 1 . . . . . 45 ILE HG2 . 18621 1 448 . 1 . 1 45 45 ILE HG22 H 1 0.99 0.02 . 1 . . . . . 45 ILE HG2 . 18621 1 449 . 1 . 1 45 45 ILE HG23 H 1 0.99 0.02 . 1 . . . . . 45 ILE HG2 . 18621 1 450 . 1 . 1 45 45 ILE HD11 H 1 0.81 0.02 . 1 . . . . . 45 ILE HD1 . 18621 1 451 . 1 . 1 45 45 ILE HD12 H 1 0.81 0.02 . 1 . . . . . 45 ILE HD1 . 18621 1 452 . 1 . 1 45 45 ILE HD13 H 1 0.81 0.02 . 1 . . . . . 45 ILE HD1 . 18621 1 453 . 1 . 1 45 45 ILE C C 13 176.9 0.3 . 1 . . . . . 45 ILE C . 18621 1 454 . 1 . 1 45 45 ILE CA C 13 63.8 0.3 . 1 . . . . . 45 ILE CA . 18621 1 455 . 1 . 1 45 45 ILE CB C 13 38.5 0.3 . 1 . . . . . 45 ILE CB . 18621 1 456 . 1 . 1 45 45 ILE CG1 C 13 29.8 0.3 . 1 . . . . . 45 ILE CG1 . 18621 1 457 . 1 . 1 45 45 ILE CG2 C 13 19.2 0.3 . 1 . . . . . 45 ILE CG2 . 18621 1 458 . 1 . 1 45 45 ILE CD1 C 13 14.3 0.3 . 1 . . . . . 45 ILE CD1 . 18621 1 459 . 1 . 1 45 45 ILE N N 15 120.7 0.3 . 1 . . . . . 45 ILE N . 18621 1 460 . 1 . 1 46 46 ALA H H 1 8.69 0.02 . 1 . . . . . 46 ALA H . 18621 1 461 . 1 . 1 46 46 ALA HA H 1 3.79 0.02 . 1 . . . . . 46 ALA HA . 18621 1 462 . 1 . 1 46 46 ALA HB1 H 1 1.35 0.02 . 1 . . . . . 46 ALA HB . 18621 1 463 . 1 . 1 46 46 ALA HB2 H 1 1.35 0.02 . 1 . . . . . 46 ALA HB . 18621 1 464 . 1 . 1 46 46 ALA HB3 H 1 1.35 0.02 . 1 . . . . . 46 ALA HB . 18621 1 465 . 1 . 1 46 46 ALA C C 13 176.5 0.3 . 1 . . . . . 46 ALA C . 18621 1 466 . 1 . 1 46 46 ALA CA C 13 54.9 0.3 . 1 . . . . . 46 ALA CA . 18621 1 467 . 1 . 1 46 46 ALA CB C 13 19.9 0.3 . 1 . . . . . 46 ALA CB . 18621 1 468 . 1 . 1 46 46 ALA N N 15 118.1 0.3 . 1 . . . . . 46 ALA N . 18621 1 469 . 1 . 1 47 47 SER H H 1 7.11 0.02 . 1 . . . . . 47 SER H . 18621 1 470 . 1 . 1 47 47 SER HA H 1 4.26 0.02 . 1 . . . . . 47 SER HA . 18621 1 471 . 1 . 1 47 47 SER HB2 H 1 3.93 0.02 . 2 . . . . . 47 SER HB2 . 18621 1 472 . 1 . 1 47 47 SER HB3 H 1 3.98 0.02 . 2 . . . . . 47 SER HB3 . 18621 1 473 . 1 . 1 47 47 SER C C 13 174.9 0.3 . 1 . . . . . 47 SER C . 18621 1 474 . 1 . 1 47 47 SER CA C 13 60.3 0.3 . 1 . . . . . 47 SER CA . 18621 1 475 . 1 . 1 47 47 SER CB C 13 65.2 0.3 . 1 . . . . . 47 SER CB . 18621 1 476 . 1 . 1 47 47 SER N N 15 109.3 0.3 . 1 . . . . . 47 SER N . 18621 1 477 . 1 . 1 48 48 PHE H H 1 7.46 0.02 . 1 . . . . . 48 PHE H . 18621 1 478 . 1 . 1 48 48 PHE HA H 1 4.68 0.02 . 1 . . . . . 48 PHE HA . 18621 1 479 . 1 . 1 48 48 PHE HB2 H 1 3.43 0.02 . 2 . . . . . 48 PHE HB2 . 18621 1 480 . 1 . 1 48 48 PHE HB3 H 1 3.14 0.02 . 2 . . . . . 48 PHE HB3 . 18621 1 481 . 1 . 1 48 48 PHE C C 13 178.3 0.3 . 1 . . . . . 48 PHE C . 18621 1 482 . 1 . 1 48 48 PHE CA C 13 56.7 0.3 . 1 . . . . . 48 PHE CA . 18621 1 483 . 1 . 1 48 48 PHE CB C 13 38.8 0.3 . 1 . . . . . 48 PHE CB . 18621 1 484 . 1 . 1 48 48 PHE CD1 C 13 117.9 0.3 . 1 . . . . . 48 PHE CD1 . 18621 1 485 . 1 . 1 48 48 PHE CE1 C 13 119.9 0.3 . 1 . . . . . 48 PHE CE1 . 18621 1 486 . 1 . 1 48 48 PHE N N 15 122.2 0.3 . 1 . . . . . 48 PHE N . 18621 1 487 . 1 . 1 50 50 ARG HA H 1 4.10 0.02 . 1 . . . . . 50 ARG HA . 18621 1 488 . 1 . 1 50 50 ARG HB2 H 1 1.92 0.02 . 2 . . . . . 50 ARG HB2 . 18621 1 489 . 1 . 1 50 50 ARG HB3 H 1 1.76 0.02 . 2 . . . . . 50 ARG HB3 . 18621 1 490 . 1 . 1 50 50 ARG HG2 H 1 1.53 0.02 . 2 . . . . . 50 ARG HG2 . 18621 1 491 . 1 . 1 50 50 ARG HG3 H 1 1.66 0.02 . 2 . . . . . 50 ARG HG3 . 18621 1 492 . 1 . 1 50 50 ARG HD2 H 1 3.17 0.02 . 2 . . . . . 50 ARG HD2 . 18621 1 493 . 1 . 1 50 50 ARG HD3 H 1 3.10 0.02 . 2 . . . . . 50 ARG HD3 . 18621 1 494 . 1 . 1 50 50 ARG C C 13 179.0 0.3 . 1 . . . . . 50 ARG C . 18621 1 495 . 1 . 1 50 50 ARG CA C 13 59.3 0.3 . 1 . . . . . 50 ARG CA . 18621 1 496 . 1 . 1 50 50 ARG CB C 13 31.2 0.3 . 1 . . . . . 50 ARG CB . 18621 1 497 . 1 . 1 50 50 ARG CG C 13 28.2 0.3 . 1 . . . . . 50 ARG CG . 18621 1 498 . 1 . 1 50 50 ARG CD C 13 43.6 0.3 . 1 . . . . . 50 ARG CD . 18621 1 499 . 1 . 1 51 51 MET H H 1 7.11 0.02 . 1 . . . . . 51 MET H . 18621 1 500 . 1 . 1 51 51 MET HA H 1 4.55 0.02 . 1 . . . . . 51 MET HA . 18621 1 501 . 1 . 1 51 51 MET HG2 H 1 2.79 0.02 . 2 . . . . . 51 MET HG2 . 18621 1 502 . 1 . 1 51 51 MET HG3 H 1 3.34 0.02 . 2 . . . . . 51 MET HG3 . 18621 1 503 . 1 . 1 51 51 MET C C 13 178.1 0.3 . 1 . . . . . 51 MET C . 18621 1 504 . 1 . 1 51 51 MET CA C 13 56.9 0.3 . 1 . . . . . 51 MET CA . 18621 1 505 . 1 . 1 51 51 MET CB C 13 31.0 0.3 . 1 . . . . . 51 MET CB . 18621 1 506 . 1 . 1 51 51 MET CG C 13 33.3 0.3 . 1 . . . . . 51 MET CG . 18621 1 507 . 1 . 1 51 51 MET N N 15 114.8 0.3 . 1 . . . . . 51 MET N . 18621 1 508 . 1 . 1 52 52 LYS H H 1 7.99 0.02 . 1 . . . . . 52 LYS H . 18621 1 509 . 1 . 1 52 52 LYS HA H 1 4.06 0.02 . 1 . . . . . 52 LYS HA . 18621 1 510 . 1 . 1 52 52 LYS HB2 H 1 1.91 0.02 . 2 . . . . . 52 LYS HB2 . 18621 1 511 . 1 . 1 52 52 LYS HB3 H 1 1.88 0.02 . 2 . . . . . 52 LYS HB3 . 18621 1 512 . 1 . 1 52 52 LYS HG2 H 1 1.49 0.02 . 2 . . . . . 52 LYS HG2 . 18621 1 513 . 1 . 1 52 52 LYS HG3 H 1 1.71 0.02 . 2 . . . . . 52 LYS HG3 . 18621 1 514 . 1 . 1 52 52 LYS CA C 13 60.1 0.3 . 1 . . . . . 52 LYS CA . 18621 1 515 . 1 . 1 52 52 LYS CB C 13 33.4 0.3 . 1 . . . . . 52 LYS CB . 18621 1 516 . 1 . 1 52 52 LYS CG C 13 26.2 0.3 . 1 . . . . . 52 LYS CG . 18621 1 517 . 1 . 1 52 52 LYS CD C 13 28.6 0.3 . 1 . . . . . 52 LYS CD . 18621 1 518 . 1 . 1 52 52 LYS CE C 13 43.1 0.3 . 1 . . . . . 52 LYS CE . 18621 1 519 . 1 . 1 52 52 LYS N N 15 118.7 0.3 . 1 . . . . . 52 LYS N . 18621 1 520 . 1 . 1 53 53 THR H H 1 7.43 0.02 . 1 . . . . . 53 THR H . 18621 1 521 . 1 . 1 53 53 THR HA H 1 4.04 0.02 . 1 . . . . . 53 THR HA . 18621 1 522 . 1 . 1 53 53 THR HB H 1 4.27 0.02 . 1 . . . . . 53 THR HB . 18621 1 523 . 1 . 1 53 53 THR HG21 H 1 1.25 0.02 . 1 . . . . . 53 THR HG2 . 18621 1 524 . 1 . 1 53 53 THR HG22 H 1 1.25 0.02 . 1 . . . . . 53 THR HG2 . 18621 1 525 . 1 . 1 53 53 THR HG23 H 1 1.25 0.02 . 1 . . . . . 53 THR HG2 . 18621 1 526 . 1 . 1 53 53 THR C C 13 174.7 0.3 . 1 . . . . . 53 THR C . 18621 1 527 . 1 . 1 53 53 THR CA C 13 65.0 0.3 . 1 . . . . . 53 THR CA . 18621 1 528 . 1 . 1 53 53 THR CB C 13 70.3 0.3 . 1 . . . . . 53 THR CB . 18621 1 529 . 1 . 1 53 53 THR CG2 C 13 22.6 0.3 . 1 . . . . . 53 THR CG2 . 18621 1 530 . 1 . 1 53 53 THR N N 15 108.5 0.3 . 1 . . . . . 53 THR N . 18621 1 531 . 1 . 1 54 54 ILE H H 1 7.59 0.02 . 1 . . . . . 54 ILE H . 18621 1 532 . 1 . 1 54 54 ILE HA H 1 3.90 0.02 . 1 . . . . . 54 ILE HA . 18621 1 533 . 1 . 1 54 54 ILE HB H 1 1.89 0.02 . 1 . . . . . 54 ILE HB . 18621 1 534 . 1 . 1 54 54 ILE HG12 H 1 1.87 0.02 . 2 . . . . . 54 ILE HG12 . 18621 1 535 . 1 . 1 54 54 ILE HG13 H 1 0.85 0.02 . 2 . . . . . 54 ILE HG13 . 18621 1 536 . 1 . 1 54 54 ILE HG21 H 1 0.88 0.02 . 1 . . . . . 54 ILE HG2 . 18621 1 537 . 1 . 1 54 54 ILE HG22 H 1 0.88 0.02 . 1 . . . . . 54 ILE HG2 . 18621 1 538 . 1 . 1 54 54 ILE HG23 H 1 0.88 0.02 . 1 . . . . . 54 ILE HG2 . 18621 1 539 . 1 . 1 54 54 ILE HD11 H 1 0.82 0.02 . 1 . . . . . 54 ILE HD1 . 18621 1 540 . 1 . 1 54 54 ILE HD12 H 1 0.82 0.02 . 1 . . . . . 54 ILE HD1 . 18621 1 541 . 1 . 1 54 54 ILE HD13 H 1 0.82 0.02 . 1 . . . . . 54 ILE HD1 . 18621 1 542 . 1 . 1 54 54 ILE C C 13 176.4 0.3 . 1 . . . . . 54 ILE C . 18621 1 543 . 1 . 1 54 54 ILE CA C 13 65.2 0.3 . 1 . . . . . 54 ILE CA . 18621 1 544 . 1 . 1 54 54 ILE CB C 13 40.2 0.3 . 1 . . . . . 54 ILE CB . 18621 1 545 . 1 . 1 54 54 ILE CG1 C 13 28.2 0.3 . 1 . . . . . 54 ILE CG1 . 18621 1 546 . 1 . 1 54 54 ILE CG2 C 13 20.2 0.3 . 1 . . . . . 54 ILE CG2 . 18621 1 547 . 1 . 1 54 54 ILE CD1 C 13 15.2 0.3 . 1 . . . . . 54 ILE CD1 . 18621 1 548 . 1 . 1 54 54 ILE N N 15 122.5 0.3 . 1 . . . . . 54 ILE N . 18621 1 549 . 1 . 1 55 55 SER H H 1 8.24 0.02 . 1 . . . . . 55 SER H . 18621 1 550 . 1 . 1 55 55 SER HA H 1 4.44 0.02 . 1 . . . . . 55 SER HA . 18621 1 551 . 1 . 1 55 55 SER HB2 H 1 3.06 0.02 . 2 . . . . . 55 SER HB2 . 18621 1 552 . 1 . 1 55 55 SER HB3 H 1 3.97 0.02 . 2 . . . . . 55 SER HB3 . 18621 1 553 . 1 . 1 55 55 SER C C 13 173.5 0.3 . 1 . . . . . 55 SER C . 18621 1 554 . 1 . 1 55 55 SER CA C 13 59.7 0.3 . 1 . . . . . 55 SER CA . 18621 1 555 . 1 . 1 55 55 SER CB C 13 66.2 0.3 . 1 . . . . . 55 SER CB . 18621 1 556 . 1 . 1 55 55 SER N N 15 110.4 0.3 . 1 . . . . . 55 SER N . 18621 1 557 . 1 . 1 56 56 THR H H 1 8.41 0.02 . 1 . . . . . 56 THR H . 18621 1 558 . 1 . 1 56 56 THR HA H 1 4.48 0.02 . 1 . . . . . 56 THR HA . 18621 1 559 . 1 . 1 56 56 THR HB H 1 4.65 0.02 . 1 . . . . . 56 THR HB . 18621 1 560 . 1 . 1 56 56 THR HG21 H 1 1.26 0.02 . 1 . . . . . 56 THR HG2 . 18621 1 561 . 1 . 1 56 56 THR HG22 H 1 1.26 0.02 . 1 . . . . . 56 THR HG2 . 18621 1 562 . 1 . 1 56 56 THR HG23 H 1 1.26 0.02 . 1 . . . . . 56 THR HG2 . 18621 1 563 . 1 . 1 56 56 THR C C 13 173.5 0.3 . 1 . . . . . 56 THR C . 18621 1 564 . 1 . 1 56 56 THR CA C 13 61.3 0.3 . 1 . . . . . 56 THR CA . 18621 1 565 . 1 . 1 56 56 THR CB C 13 69.7 0.3 . 1 . . . . . 56 THR CB . 18621 1 566 . 1 . 1 56 56 THR CG2 C 13 22.5 0.3 . 1 . . . . . 56 THR CG2 . 18621 1 567 . 1 . 1 56 56 THR N N 15 114.4 0.3 . 1 . . . . . 56 THR N . 18621 1 568 . 1 . 1 57 57 ASP H H 1 8.42 0.02 . 1 . . . . . 57 ASP H . 18621 1 569 . 1 . 1 57 57 ASP HA H 1 4.66 0.02 . 1 . . . . . 57 ASP HA . 18621 1 570 . 1 . 1 57 57 ASP HB2 H 1 3.04 0.02 . 2 . . . . . 57 ASP HB2 . 18621 1 571 . 1 . 1 57 57 ASP HB3 H 1 2.46 0.02 . 2 . . . . . 57 ASP HB3 . 18621 1 572 . 1 . 1 57 57 ASP C C 13 175.3 0.3 . 1 . . . . . 57 ASP C . 18621 1 573 . 1 . 1 57 57 ASP CA C 13 53.7 0.3 . 1 . . . . . 57 ASP CA . 18621 1 574 . 1 . 1 57 57 ASP CB C 13 42.2 0.3 . 1 . . . . . 57 ASP CB . 18621 1 575 . 1 . 1 57 57 ASP N N 15 124.0 0.3 . 1 . . . . . 57 ASP N . 18621 1 576 . 1 . 1 58 58 LEU H H 1 8.60 0.02 . 1 . . . . . 58 LEU H . 18621 1 577 . 1 . 1 58 58 LEU HA H 1 3.88 0.02 . 1 . . . . . 58 LEU HA . 18621 1 578 . 1 . 1 58 58 LEU HB2 H 1 1.72 0.02 . 2 . . . . . 58 LEU HB2 . 18621 1 579 . 1 . 1 58 58 LEU HB3 H 1 1.62 0.02 . 2 . . . . . 58 LEU HB3 . 18621 1 580 . 1 . 1 58 58 LEU HG H 1 1.67 0.02 . 1 . . . . . 58 LEU HG . 18621 1 581 . 1 . 1 58 58 LEU HD11 H 1 0.79 0.02 . 1 . . . . . 58 LEU HD1 . 18621 1 582 . 1 . 1 58 58 LEU HD12 H 1 0.79 0.02 . 1 . . . . . 58 LEU HD1 . 18621 1 583 . 1 . 1 58 58 LEU HD13 H 1 0.79 0.02 . 1 . . . . . 58 LEU HD1 . 18621 1 584 . 1 . 1 58 58 LEU HD21 H 1 0.82 0.02 . 1 . . . . . 58 LEU HD2 . 18621 1 585 . 1 . 1 58 58 LEU HD22 H 1 0.82 0.02 . 1 . . . . . 58 LEU HD2 . 18621 1 586 . 1 . 1 58 58 LEU HD23 H 1 0.82 0.02 . 1 . . . . . 58 LEU HD2 . 18621 1 587 . 1 . 1 58 58 LEU C C 13 179.7 0.3 . 1 . . . . . 58 LEU C . 18621 1 588 . 1 . 1 58 58 LEU CA C 13 58.6 0.3 . 1 . . . . . 58 LEU CA . 18621 1 589 . 1 . 1 58 58 LEU CB C 13 42.5 0.3 . 1 . . . . . 58 LEU CB . 18621 1 590 . 1 . 1 58 58 LEU CG C 13 28.4 0.3 . 1 . . . . . 58 LEU CG . 18621 1 591 . 1 . 1 58 58 LEU CD1 C 13 25.3 0.3 . 1 . . . . . 58 LEU CD1 . 18621 1 592 . 1 . 1 58 58 LEU CD2 C 13 25.0 0.3 . 1 . . . . . 58 LEU CD2 . 18621 1 593 . 1 . 1 58 58 LEU N N 15 126.6 0.3 . 1 . . . . . 58 LEU N . 18621 1 594 . 1 . 1 59 59 GLN H H 1 8.24 0.02 . 1 . . . . . 59 GLN H . 18621 1 595 . 1 . 1 59 59 GLN HA H 1 4.09 0.02 . 1 . . . . . 59 GLN HA . 18621 1 596 . 1 . 1 59 59 GLN HG2 H 1 2.35 0.02 . 2 . . . . . 59 GLN HG2 . 18621 1 597 . 1 . 1 59 59 GLN HG3 H 1 2.39 0.02 . 2 . . . . . 59 GLN HG3 . 18621 1 598 . 1 . 1 59 59 GLN HE21 H 1 7.04 0.02 . 1 . . . . . 59 GLN HE21 . 18621 1 599 . 1 . 1 59 59 GLN HE22 H 1 7.78 0.02 . 1 . . . . . 59 GLN HE22 . 18621 1 600 . 1 . 1 59 59 GLN C C 13 177.7 0.3 . 1 . . . . . 59 GLN C . 18621 1 601 . 1 . 1 59 59 GLN CA C 13 60.3 0.3 . 1 . . . . . 59 GLN CA . 18621 1 602 . 1 . 1 59 59 GLN CB C 13 28.8 0.3 . 1 . . . . . 59 GLN CB . 18621 1 603 . 1 . 1 59 59 GLN CG C 13 34.9 0.3 . 1 . . . . . 59 GLN CG . 18621 1 604 . 1 . 1 59 59 GLN N N 15 120.9 0.3 . 1 . . . . . 59 GLN N . 18621 1 605 . 1 . 1 59 59 GLN NE2 N 15 113.6 0.3 . 1 . . . . . 59 GLN NE2 . 18621 1 606 . 1 . 1 60 60 LEU H H 1 7.48 0.02 . 1 . . . . . 60 LEU H . 18621 1 607 . 1 . 1 60 60 LEU HA H 1 3.99 0.02 . 1 . . . . . 60 LEU HA . 18621 1 608 . 1 . 1 60 60 LEU HB2 H 1 1.81 0.02 . 2 . . . . . 60 LEU HB2 . 18621 1 609 . 1 . 1 60 60 LEU HB3 H 1 1.55 0.02 . 2 . . . . . 60 LEU HB3 . 18621 1 610 . 1 . 1 60 60 LEU HG H 1 1.51 0.02 . 1 . . . . . 60 LEU HG . 18621 1 611 . 1 . 1 60 60 LEU HD11 H 1 0.90 0.02 . 1 . . . . . 60 LEU HD1 . 18621 1 612 . 1 . 1 60 60 LEU HD12 H 1 0.90 0.02 . 1 . . . . . 60 LEU HD1 . 18621 1 613 . 1 . 1 60 60 LEU HD13 H 1 0.90 0.02 . 1 . . . . . 60 LEU HD1 . 18621 1 614 . 1 . 1 60 60 LEU HD21 H 1 0.83 0.02 . 1 . . . . . 60 LEU HD2 . 18621 1 615 . 1 . 1 60 60 LEU HD22 H 1 0.83 0.02 . 1 . . . . . 60 LEU HD2 . 18621 1 616 . 1 . 1 60 60 LEU HD23 H 1 0.83 0.02 . 1 . . . . . 60 LEU HD2 . 18621 1 617 . 1 . 1 60 60 LEU C C 13 180.1 0.3 . 1 . . . . . 60 LEU C . 18621 1 618 . 1 . 1 60 60 LEU CA C 13 58.9 0.3 . 1 . . . . . 60 LEU CA . 18621 1 619 . 1 . 1 60 60 LEU CB C 13 42.4 0.3 . 1 . . . . . 60 LEU CB . 18621 1 620 . 1 . 1 60 60 LEU CG C 13 28.1 0.3 . 1 . . . . . 60 LEU CG . 18621 1 621 . 1 . 1 60 60 LEU CD1 C 13 26.0 0.3 . 1 . . . . . 60 LEU CD1 . 18621 1 622 . 1 . 1 60 60 LEU CD2 C 13 25.7 0.3 . 1 . . . . . 60 LEU CD2 . 18621 1 623 . 1 . 1 60 60 LEU N N 15 123.2 0.3 . 1 . . . . . 60 LEU N . 18621 1 624 . 1 . 1 61 61 ILE H H 1 8.40 0.02 . 1 . . . . . 61 ILE H . 18621 1 625 . 1 . 1 61 61 ILE HA H 1 3.63 0.02 . 1 . . . . . 61 ILE HA . 18621 1 626 . 1 . 1 61 61 ILE HB H 1 1.79 0.02 . 1 . . . . . 61 ILE HB . 18621 1 627 . 1 . 1 61 61 ILE HG12 H 1 1.87 0.02 . 2 . . . . . 61 ILE HG12 . 18621 1 628 . 1 . 1 61 61 ILE HG13 H 1 0.75 0.02 . 2 . . . . . 61 ILE HG13 . 18621 1 629 . 1 . 1 61 61 ILE HG21 H 1 0.70 0.02 . 1 . . . . . 61 ILE HG2 . 18621 1 630 . 1 . 1 61 61 ILE HG22 H 1 0.70 0.02 . 1 . . . . . 61 ILE HG2 . 18621 1 631 . 1 . 1 61 61 ILE HG23 H 1 0.70 0.02 . 1 . . . . . 61 ILE HG2 . 18621 1 632 . 1 . 1 61 61 ILE HD11 H 1 0.69 0.02 . 1 . . . . . 61 ILE HD1 . 18621 1 633 . 1 . 1 61 61 ILE HD12 H 1 0.69 0.02 . 1 . . . . . 61 ILE HD1 . 18621 1 634 . 1 . 1 61 61 ILE HD13 H 1 0.69 0.02 . 1 . . . . . 61 ILE HD1 . 18621 1 635 . 1 . 1 61 61 ILE C C 13 176.7 0.3 . 1 . . . . . 61 ILE C . 18621 1 636 . 1 . 1 61 61 ILE CA C 13 66.7 0.3 . 1 . . . . . 61 ILE CA . 18621 1 637 . 1 . 1 61 61 ILE CB C 13 39.7 0.3 . 1 . . . . . 61 ILE CB . 18621 1 638 . 1 . 1 61 61 ILE CG1 C 13 30.1 0.3 . 1 . . . . . 61 ILE CG1 . 18621 1 639 . 1 . 1 61 61 ILE CG2 C 13 17.0 0.3 . 1 . . . . . 61 ILE CG2 . 18621 1 640 . 1 . 1 61 61 ILE CD1 C 13 14.6 0.3 . 1 . . . . . 61 ILE CD1 . 18621 1 641 . 1 . 1 61 61 ILE N N 15 118.7 0.3 . 1 . . . . . 61 ILE N . 18621 1 642 . 1 . 1 62 62 THR H H 1 8.12 0.02 . 1 . . . . . 62 THR H . 18621 1 643 . 1 . 1 62 62 THR HA H 1 3.59 0.02 . 1 . . . . . 62 THR HA . 18621 1 644 . 1 . 1 62 62 THR HB H 1 4.32 0.02 . 1 . . . . . 62 THR HB . 18621 1 645 . 1 . 1 62 62 THR HG21 H 1 1.24 0.02 . 1 . . . . . 62 THR HG2 . 18621 1 646 . 1 . 1 62 62 THR HG22 H 1 1.24 0.02 . 1 . . . . . 62 THR HG2 . 18621 1 647 . 1 . 1 62 62 THR HG23 H 1 1.24 0.02 . 1 . . . . . 62 THR HG2 . 18621 1 648 . 1 . 1 62 62 THR C C 13 175.6 0.3 . 1 . . . . . 62 THR C . 18621 1 649 . 1 . 1 62 62 THR CA C 13 69.6 0.3 . 1 . . . . . 62 THR CA . 18621 1 650 . 1 . 1 62 62 THR CB C 13 70.1 0.3 . 1 . . . . . 62 THR CB . 18621 1 651 . 1 . 1 62 62 THR CG2 C 13 21.8 0.3 . 1 . . . . . 62 THR CG2 . 18621 1 652 . 1 . 1 62 62 THR N N 15 115.7 0.3 . 1 . . . . . 62 THR N . 18621 1 653 . 1 . 1 63 63 GLU H H 1 8.13 0.02 . 1 . . . . . 63 GLU H . 18621 1 654 . 1 . 1 63 63 GLU HA H 1 3.83 0.02 . 1 . . . . . 63 GLU HA . 18621 1 655 . 1 . 1 63 63 GLU HB2 H 1 2.01 0.02 . 2 . . . . . 63 GLU HB2 . 18621 1 656 . 1 . 1 63 63 GLU HB3 H 1 2.06 0.02 . 2 . . . . . 63 GLU HB3 . 18621 1 657 . 1 . 1 63 63 GLU C C 13 179.5 0.3 . 1 . . . . . 63 GLU C . 18621 1 658 . 1 . 1 63 63 GLU CA C 13 60.2 0.3 . 1 . . . . . 63 GLU CA . 18621 1 659 . 1 . 1 63 63 GLU CB C 13 30.3 0.3 . 1 . . . . . 63 GLU CB . 18621 1 660 . 1 . 1 63 63 GLU CG C 13 37.4 0.3 . 1 . . . . . 63 GLU CG . 18621 1 661 . 1 . 1 63 63 GLU N N 15 118.6 0.3 . 1 . . . . . 63 GLU N . 18621 1 662 . 1 . 1 64 64 ALA H H 1 8.25 0.02 . 1 . . . . . 64 ALA H . 18621 1 663 . 1 . 1 64 64 ALA HA H 1 4.06 0.02 . 1 . . . . . 64 ALA HA . 18621 1 664 . 1 . 1 64 64 ALA HB1 H 1 1.55 0.02 . 1 . . . . . 64 ALA HB . 18621 1 665 . 1 . 1 64 64 ALA HB2 H 1 1.55 0.02 . 1 . . . . . 64 ALA HB . 18621 1 666 . 1 . 1 64 64 ALA HB3 H 1 1.55 0.02 . 1 . . . . . 64 ALA HB . 18621 1 667 . 1 . 1 64 64 ALA C C 13 180.3 0.3 . 1 . . . . . 64 ALA C . 18621 1 668 . 1 . 1 64 64 ALA CA C 13 55.9 0.3 . 1 . . . . . 64 ALA CA . 18621 1 669 . 1 . 1 64 64 ALA CB C 13 19.4 0.3 . 1 . . . . . 64 ALA CB . 18621 1 670 . 1 . 1 64 64 ALA N N 15 121.7 0.3 . 1 . . . . . 64 ALA N . 18621 1 671 . 1 . 1 65 65 LEU H H 1 7.89 0.02 . 1 . . . . . 65 LEU H . 18621 1 672 . 1 . 1 65 65 LEU HA H 1 3.93 0.02 . 1 . . . . . 65 LEU HA . 18621 1 673 . 1 . 1 65 65 LEU HB2 H 1 1.95 0.02 . 2 . . . . . 65 LEU HB2 . 18621 1 674 . 1 . 1 65 65 LEU HB3 H 1 1.17 0.02 . 2 . . . . . 65 LEU HB3 . 18621 1 675 . 1 . 1 65 65 LEU HD11 H 1 2.31 0.02 . 1 . . . . . 65 LEU HD1 . 18621 1 676 . 1 . 1 65 65 LEU HD12 H 1 2.31 0.02 . 1 . . . . . 65 LEU HD1 . 18621 1 677 . 1 . 1 65 65 LEU HD13 H 1 2.31 0.02 . 1 . . . . . 65 LEU HD1 . 18621 1 678 . 1 . 1 65 65 LEU HD21 H 1 0.77 0.02 . 1 . . . . . 65 LEU HD2 . 18621 1 679 . 1 . 1 65 65 LEU HD22 H 1 0.77 0.02 . 1 . . . . . 65 LEU HD2 . 18621 1 680 . 1 . 1 65 65 LEU HD23 H 1 0.77 0.02 . 1 . . . . . 65 LEU HD2 . 18621 1 681 . 1 . 1 65 65 LEU C C 13 179.4 0.3 . 1 . . . . . 65 LEU C . 18621 1 682 . 1 . 1 65 65 LEU CA C 13 58.1 0.3 . 1 . . . . . 65 LEU CA . 18621 1 683 . 1 . 1 65 65 LEU CB C 13 41.8 0.3 . 1 . . . . . 65 LEU CB . 18621 1 684 . 1 . 1 65 65 LEU CG C 13 31.1 0.3 . 1 . . . . . 65 LEU CG . 18621 1 685 . 1 . 1 65 65 LEU CD1 C 13 27.0 0.3 . 1 . . . . . 65 LEU CD1 . 18621 1 686 . 1 . 1 65 65 LEU CD2 C 13 23.4 0.3 . 1 . . . . . 65 LEU CD2 . 18621 1 687 . 1 . 1 65 65 LEU N N 15 114.6 0.3 . 1 . . . . . 65 LEU N . 18621 1 688 . 1 . 1 66 66 LYS H H 1 7.69 0.02 . 1 . . . . . 66 LYS H . 18621 1 689 . 1 . 1 66 66 LYS HA H 1 3.99 0.02 . 1 . . . . . 66 LYS HA . 18621 1 690 . 1 . 1 66 66 LYS HB2 H 1 1.99 0.02 . 2 . . . . . 66 LYS HB2 . 18621 1 691 . 1 . 1 66 66 LYS HB3 H 1 1.86 0.02 . 2 . . . . . 66 LYS HB3 . 18621 1 692 . 1 . 1 66 66 LYS C C 13 177.0 0.3 . 1 . . . . . 66 LYS C . 18621 1 693 . 1 . 1 66 66 LYS CA C 13 60.0 0.3 . 1 . . . . . 66 LYS CA . 18621 1 694 . 1 . 1 66 66 LYS CB C 13 33.7 0.3 . 1 . . . . . 66 LYS CB . 18621 1 695 . 1 . 1 66 66 LYS CG C 13 26.3 0.3 . 1 . . . . . 66 LYS CG . 18621 1 696 . 1 . 1 66 66 LYS CD C 13 30.1 0.3 . 1 . . . . . 66 LYS CD . 18621 1 697 . 1 . 1 66 66 LYS CE C 13 42.9 0.3 . 1 . . . . . 66 LYS CE . 18621 1 698 . 1 . 1 66 66 LYS N N 15 117.8 0.3 . 1 . . . . . 66 LYS N . 18621 1 699 . 1 . 1 67 67 LYS H H 1 7.31 0.02 . 1 . . . . . 67 LYS H . 18621 1 700 . 1 . 1 67 67 LYS HA H 1 4.35 0.02 . 1 . . . . . 67 LYS HA . 18621 1 701 . 1 . 1 67 67 LYS HB2 H 1 2.03 0.02 . 2 . . . . . 67 LYS HB2 . 18621 1 702 . 1 . 1 67 67 LYS HB3 H 1 1.92 0.02 . 2 . . . . . 67 LYS HB3 . 18621 1 703 . 1 . 1 67 67 LYS HG2 H 1 1.58 0.02 . 2 . . . . . 67 LYS HG2 . 18621 1 704 . 1 . 1 67 67 LYS HG3 H 1 1.43 0.02 . 2 . . . . . 67 LYS HG3 . 18621 1 705 . 1 . 1 67 67 LYS C C 13 177.1 0.3 . 1 . . . . . 67 LYS C . 18621 1 706 . 1 . 1 67 67 LYS CA C 13 57.0 0.3 . 1 . . . . . 67 LYS CA . 18621 1 707 . 1 . 1 67 67 LYS CB C 13 33.4 0.3 . 1 . . . . . 67 LYS CB . 18621 1 708 . 1 . 1 67 67 LYS CG C 13 26.0 0.3 . 1 . . . . . 67 LYS CG . 18621 1 709 . 1 . 1 67 67 LYS CD C 13 29.9 0.3 . 1 . . . . . 67 LYS CD . 18621 1 710 . 1 . 1 67 67 LYS CE C 13 43.2 0.3 . 1 . . . . . 67 LYS CE . 18621 1 711 . 1 . 1 67 67 LYS N N 15 115.6 0.3 . 1 . . . . . 67 LYS N . 18621 1 712 . 1 . 1 68 68 SER H H 1 7.37 0.02 . 1 . . . . . 68 SER H . 18621 1 713 . 1 . 1 68 68 SER HA H 1 4.33 0.02 . 1 . . . . . 68 SER HA . 18621 1 714 . 1 . 1 68 68 SER HB2 H 1 4.02 0.02 . 2 . . . . . 68 SER HB2 . 18621 1 715 . 1 . 1 68 68 SER HB3 H 1 3.84 0.02 . 2 . . . . . 68 SER HB3 . 18621 1 716 . 1 . 1 68 68 SER C C 13 176.3 0.3 . 1 . . . . . 68 SER C . 18621 1 717 . 1 . 1 68 68 SER CA C 13 59.5 0.3 . 1 . . . . . 68 SER CA . 18621 1 718 . 1 . 1 68 68 SER CB C 13 65.7 0.3 . 1 . . . . . 68 SER CB . 18621 1 719 . 1 . 1 68 68 SER N N 15 113.1 0.3 . 1 . . . . . 68 SER N . 18621 1 720 . 1 . 1 69 69 THR H H 1 9.37 0.02 . 1 . . . . . 69 THR H . 18621 1 721 . 1 . 1 69 69 THR HA H 1 4.52 0.02 . 1 . . . . . 69 THR HA . 18621 1 722 . 1 . 1 69 69 THR HB H 1 4.47 0.02 . 1 . . . . . 69 THR HB . 18621 1 723 . 1 . 1 69 69 THR HG21 H 1 1.29 0.02 . 1 . . . . . 69 THR HG2 . 18621 1 724 . 1 . 1 69 69 THR HG22 H 1 1.29 0.02 . 1 . . . . . 69 THR HG2 . 18621 1 725 . 1 . 1 69 69 THR HG23 H 1 1.29 0.02 . 1 . . . . . 69 THR HG2 . 18621 1 726 . 1 . 1 69 69 THR C C 13 175.0 0.3 . 1 . . . . . 69 THR C . 18621 1 727 . 1 . 1 69 69 THR CA C 13 63.2 0.3 . 1 . . . . . 69 THR CA . 18621 1 728 . 1 . 1 69 69 THR CB C 13 70.2 0.3 . 1 . . . . . 69 THR CB . 18621 1 729 . 1 . 1 69 69 THR CG2 C 13 22.7 0.3 . 1 . . . . . 69 THR CG2 . 18621 1 730 . 1 . 1 69 69 THR N N 15 117.2 0.3 . 1 . . . . . 69 THR N . 18621 1 731 . 1 . 1 70 70 ARG H H 1 8.34 0.02 . 1 . . . . . 70 ARG H . 18621 1 732 . 1 . 1 70 70 ARG HA H 1 4.50 0.02 . 1 . . . . . 70 ARG HA . 18621 1 733 . 1 . 1 70 70 ARG HB2 H 1 1.90 0.02 . 2 . . . . . 70 ARG HB2 . 18621 1 734 . 1 . 1 70 70 ARG HB3 H 1 1.44 0.02 . 2 . . . . . 70 ARG HB3 . 18621 1 735 . 1 . 1 70 70 ARG C C 13 174.9 0.3 . 1 . . . . . 70 ARG C . 18621 1 736 . 1 . 1 70 70 ARG CA C 13 57.0 0.3 . 1 . . . . . 70 ARG CA . 18621 1 737 . 1 . 1 70 70 ARG CB C 13 33.6 0.3 . 1 . . . . . 70 ARG CB . 18621 1 738 . 1 . 1 70 70 ARG CG C 13 28.0 0.3 . 1 . . . . . 70 ARG CG . 18621 1 739 . 1 . 1 70 70 ARG CD C 13 44.1 0.3 . 1 . . . . . 70 ARG CD . 18621 1 740 . 1 . 1 70 70 ARG N N 15 119.1 0.3 . 1 . . . . . 70 ARG N . 18621 1 741 . 1 . 1 71 71 LEU H H 1 7.18 0.02 . 1 . . . . . 71 LEU H . 18621 1 742 . 1 . 1 71 71 LEU HA H 1 4.92 0.02 . 1 . . . . . 71 LEU HA . 18621 1 743 . 1 . 1 71 71 LEU HB2 H 1 1.36 0.02 . 2 . . . . . 71 LEU HB2 . 18621 1 744 . 1 . 1 71 71 LEU HB3 H 1 1.09 0.02 . 2 . . . . . 71 LEU HB3 . 18621 1 745 . 1 . 1 71 71 LEU HG H 1 0.69 0.02 . 1 . . . . . 71 LEU HG . 18621 1 746 . 1 . 1 71 71 LEU C C 13 174.4 0.3 . 1 . . . . . 71 LEU C . 18621 1 747 . 1 . 1 71 71 LEU CA C 13 53.4 0.3 . 1 . . . . . 71 LEU CA . 18621 1 748 . 1 . 1 71 71 LEU CB C 13 45.6 0.3 . 1 . . . . . 71 LEU CB . 18621 1 749 . 1 . 1 71 71 LEU CG C 13 27.9 0.3 . 1 . . . . . 71 LEU CG . 18621 1 750 . 1 . 1 71 71 LEU CD1 C 13 23.3 0.3 . 1 . . . . . 71 LEU CD1 . 18621 1 751 . 1 . 1 71 71 LEU CD2 C 13 22.9 0.3 . 1 . . . . . 71 LEU CD2 . 18621 1 752 . 1 . 1 71 71 LEU N N 15 119.1 0.3 . 1 . . . . . 71 LEU N . 18621 1 753 . 1 . 1 72 72 GLN H H 1 8.74 0.02 . 1 . . . . . 72 GLN H . 18621 1 754 . 1 . 1 72 72 GLN HA H 1 4.67 0.02 . 1 . . . . . 72 GLN HA . 18621 1 755 . 1 . 1 72 72 GLN HG2 H 1 2.26 0.02 . 2 . . . . . 72 GLN HG2 . 18621 1 756 . 1 . 1 72 72 GLN HG3 H 1 2.35 0.02 . 2 . . . . . 72 GLN HG3 . 18621 1 757 . 1 . 1 72 72 GLN HE21 H 1 6.76 0.02 . 1 . . . . . 72 GLN HE21 . 18621 1 758 . 1 . 1 72 72 GLN HE22 H 1 7.56 0.02 . 1 . . . . . 72 GLN HE22 . 18621 1 759 . 1 . 1 72 72 GLN C C 13 174.1 0.3 . 1 . . . . . 72 GLN C . 18621 1 760 . 1 . 1 72 72 GLN CA C 13 55.2 0.3 . 1 . . . . . 72 GLN CA . 18621 1 761 . 1 . 1 72 72 GLN CB C 13 33.4 0.3 . 1 . . . . . 72 GLN CB . 18621 1 762 . 1 . 1 72 72 GLN CG C 13 34.2 0.3 . 1 . . . . . 72 GLN CG . 18621 1 763 . 1 . 1 72 72 GLN N N 15 120.4 0.3 . 1 . . . . . 72 GLN N . 18621 1 764 . 1 . 1 72 72 GLN NE2 N 15 111.2 0.3 . 1 . . . . . 72 GLN NE2 . 18621 1 765 . 1 . 1 73 73 VAL H H 1 8.93 0.02 . 1 . . . . . 73 VAL H . 18621 1 766 . 1 . 1 73 73 VAL HA H 1 4.97 0.02 . 1 . . . . . 73 VAL HA . 18621 1 767 . 1 . 1 73 73 VAL HB H 1 1.94 0.02 . 1 . . . . . 73 VAL HB . 18621 1 768 . 1 . 1 73 73 VAL HG11 H 1 1.17 0.02 . 1 . . . . . 73 VAL HG1 . 18621 1 769 . 1 . 1 73 73 VAL HG12 H 1 1.17 0.02 . 1 . . . . . 73 VAL HG1 . 18621 1 770 . 1 . 1 73 73 VAL HG13 H 1 1.17 0.02 . 1 . . . . . 73 VAL HG1 . 18621 1 771 . 1 . 1 73 73 VAL HG21 H 1 0.83 0.02 . 1 . . . . . 73 VAL HG2 . 18621 1 772 . 1 . 1 73 73 VAL HG22 H 1 0.83 0.02 . 1 . . . . . 73 VAL HG2 . 18621 1 773 . 1 . 1 73 73 VAL HG23 H 1 0.83 0.02 . 1 . . . . . 73 VAL HG2 . 18621 1 774 . 1 . 1 73 73 VAL C C 13 176.5 0.3 . 1 . . . . . 73 VAL C . 18621 1 775 . 1 . 1 73 73 VAL CA C 13 61.9 0.3 . 1 . . . . . 73 VAL CA . 18621 1 776 . 1 . 1 73 73 VAL CB C 13 33.4 0.3 . 1 . . . . . 73 VAL CB . 18621 1 777 . 1 . 1 73 73 VAL CG1 C 13 21.7 0.3 . 1 . . . . . 73 VAL CG1 . 18621 1 778 . 1 . 1 73 73 VAL CG2 C 13 23.8 0.3 . 1 . . . . . 73 VAL CG2 . 18621 1 779 . 1 . 1 73 73 VAL N N 15 128.8 0.3 . 1 . . . . . 73 VAL N . 18621 1 780 . 1 . 1 74 74 SER H H 1 8.77 0.02 . 1 . . . . . 74 SER H . 18621 1 781 . 1 . 1 74 74 SER HA H 1 4.07 0.02 . 1 . . . . . 74 SER HA . 18621 1 782 . 1 . 1 74 74 SER HB2 H 1 3.85 0.02 . 2 . . . . . 74 SER HB2 . 18621 1 783 . 1 . 1 74 74 SER HB3 H 1 2.73 0.02 . 2 . . . . . 74 SER HB3 . 18621 1 784 . 1 . 1 74 74 SER C C 13 176.6 0.3 . 1 . . . . . 74 SER C . 18621 1 785 . 1 . 1 74 74 SER CA C 13 60.0 0.3 . 1 . . . . . 74 SER CA . 18621 1 786 . 1 . 1 74 74 SER CB C 13 64.3 0.3 . 1 . . . . . 74 SER CB . 18621 1 787 . 1 . 1 74 74 SER N N 15 123.3 0.3 . 1 . . . . . 74 SER N . 18621 1 788 . 1 . 1 75 75 GLU H H 1 9.02 0.02 . 1 . . . . . 75 GLU H . 18621 1 789 . 1 . 1 75 75 GLU HA H 1 3.97 0.02 . 1 . . . . . 75 GLU HA . 18621 1 790 . 1 . 1 75 75 GLU HB2 H 1 2.33 0.02 . 2 . . . . . 75 GLU HB2 . 18621 1 791 . 1 . 1 75 75 GLU HB3 H 1 2.02 0.02 . 2 . . . . . 75 GLU HB3 . 18621 1 792 . 1 . 1 75 75 GLU C C 13 177.6 0.3 . 1 . . . . . 75 GLU C . 18621 1 793 . 1 . 1 75 75 GLU CA C 13 60.8 0.3 . 1 . . . . . 75 GLU CA . 18621 1 794 . 1 . 1 75 75 GLU CB C 13 30.1 0.3 . 1 . . . . . 75 GLU CB . 18621 1 795 . 1 . 1 75 75 GLU CG C 13 37.5 0.3 . 1 . . . . . 75 GLU CG . 18621 1 796 . 1 . 1 75 75 GLU N N 15 123.0 0.3 . 1 . . . . . 75 GLU N . 18621 1 797 . 1 . 1 76 76 ASP H H 1 7.97 0.02 . 1 . . . . . 76 ASP H . 18621 1 798 . 1 . 1 76 76 ASP HA H 1 4.36 0.02 . 1 . . . . . 76 ASP HA . 18621 1 799 . 1 . 1 76 76 ASP HB2 H 1 2.96 0.02 . 2 . . . . . 76 ASP HB2 . 18621 1 800 . 1 . 1 76 76 ASP HB3 H 1 2.59 0.02 . 2 . . . . . 76 ASP HB3 . 18621 1 801 . 1 . 1 76 76 ASP C C 13 177.2 0.3 . 1 . . . . . 76 ASP C . 18621 1 802 . 1 . 1 76 76 ASP CA C 13 54.3 0.3 . 1 . . . . . 76 ASP CA . 18621 1 803 . 1 . 1 76 76 ASP CB C 13 41.0 0.3 . 1 . . . . . 76 ASP CB . 18621 1 804 . 1 . 1 76 76 ASP N N 15 114.7 0.3 . 1 . . . . . 76 ASP N . 18621 1 805 . 1 . 1 77 77 GLY H H 1 8.24 0.02 . 1 . . . . . 77 GLY H . 18621 1 806 . 1 . 1 77 77 GLY HA2 H 1 4.00 0.02 . 2 . . . . . 77 GLY HA2 . 18621 1 807 . 1 . 1 77 77 GLY HA3 H 1 3.45 0.02 . 2 . . . . . 77 GLY HA3 . 18621 1 808 . 1 . 1 77 77 GLY C C 13 173.9 0.3 . 1 . . . . . 77 GLY C . 18621 1 809 . 1 . 1 77 77 GLY CA C 13 46.7 0.3 . 1 . . . . . 77 GLY CA . 18621 1 810 . 1 . 1 77 77 GLY N N 15 109.1 0.3 . 1 . . . . . 77 GLY N . 18621 1 811 . 1 . 1 78 78 LYS H H 1 7.66 0.02 . 1 . . . . . 78 LYS H . 18621 1 812 . 1 . 1 78 78 LYS HA H 1 4.29 0.02 . 1 . . . . . 78 LYS HA . 18621 1 813 . 1 . 1 78 78 LYS HB2 H 1 1.86 0.02 . 2 . . . . . 78 LYS HB2 . 18621 1 814 . 1 . 1 78 78 LYS HB3 H 1 1.77 0.02 . 2 . . . . . 78 LYS HB3 . 18621 1 815 . 1 . 1 78 78 LYS HG2 H 1 1.26 0.02 . 2 . . . . . 78 LYS HG2 . 18621 1 816 . 1 . 1 78 78 LYS HG3 H 1 1.17 0.02 . 2 . . . . . 78 LYS HG3 . 18621 1 817 . 1 . 1 78 78 LYS C C 13 177.2 0.3 . 1 . . . . . 78 LYS C . 18621 1 818 . 1 . 1 78 78 LYS CA C 13 57.7 0.3 . 1 . . . . . 78 LYS CA . 18621 1 819 . 1 . 1 78 78 LYS CB C 13 35.1 0.3 . 1 . . . . . 78 LYS CB . 18621 1 820 . 1 . 1 78 78 LYS CG C 13 25.8 0.3 . 1 . . . . . 78 LYS CG . 18621 1 821 . 1 . 1 78 78 LYS CD C 13 29.5 0.3 . 1 . . . . . 78 LYS CD . 18621 1 822 . 1 . 1 78 78 LYS CE C 13 43.1 0.3 . 1 . . . . . 78 LYS CE . 18621 1 823 . 1 . 1 78 78 LYS N N 15 113.9 0.3 . 1 . . . . . 78 LYS N . 18621 1 824 . 1 . 1 79 79 MET H H 1 8.11 0.02 . 1 . . . . . 79 MET H . 18621 1 825 . 1 . 1 79 79 MET HA H 1 5.39 0.02 . 1 . . . . . 79 MET HA . 18621 1 826 . 1 . 1 79 79 MET HB2 H 1 2.02 0.02 . 2 . . . . . 79 MET HB2 . 18621 1 827 . 1 . 1 79 79 MET HB3 H 1 1.45 0.02 . 2 . . . . . 79 MET HB3 . 18621 1 828 . 1 . 1 79 79 MET HG2 H 1 2.39 0.02 . 2 . . . . . 79 MET HG2 . 18621 1 829 . 1 . 1 79 79 MET HG3 H 1 2.19 0.02 . 2 . . . . . 79 MET HG3 . 18621 1 830 . 1 . 1 79 79 MET C C 13 172.9 0.3 . 1 . . . . . 79 MET C . 18621 1 831 . 1 . 1 79 79 MET CA C 13 55.0 0.3 . 1 . . . . . 79 MET CA . 18621 1 832 . 1 . 1 79 79 MET CB C 13 37.8 0.3 . 1 . . . . . 79 MET CB . 18621 1 833 . 1 . 1 79 79 MET CG C 13 33.2 0.3 . 1 . . . . . 79 MET CG . 18621 1 834 . 1 . 1 79 79 MET N N 15 117.5 0.3 . 1 . . . . . 79 MET N . 18621 1 835 . 1 . 1 80 80 VAL H H 1 9.84 0.02 . 1 . . . . . 80 VAL H . 18621 1 836 . 1 . 1 80 80 VAL HA H 1 5.73 0.02 . 1 . . . . . 80 VAL HA . 18621 1 837 . 1 . 1 80 80 VAL HB H 1 1.84 0.02 . 1 . . . . . 80 VAL HB . 18621 1 838 . 1 . 1 80 80 VAL HG11 H 1 0.96 0.02 . 1 . . . . . 80 VAL HG1 . 18621 1 839 . 1 . 1 80 80 VAL HG12 H 1 0.96 0.02 . 1 . . . . . 80 VAL HG1 . 18621 1 840 . 1 . 1 80 80 VAL HG13 H 1 0.96 0.02 . 1 . . . . . 80 VAL HG1 . 18621 1 841 . 1 . 1 80 80 VAL HG21 H 1 0.81 0.02 . 1 . . . . . 80 VAL HG2 . 18621 1 842 . 1 . 1 80 80 VAL HG22 H 1 0.81 0.02 . 1 . . . . . 80 VAL HG2 . 18621 1 843 . 1 . 1 80 80 VAL HG23 H 1 0.81 0.02 . 1 . . . . . 80 VAL HG2 . 18621 1 844 . 1 . 1 80 80 VAL C C 13 171.7 0.3 . 1 . . . . . 80 VAL C . 18621 1 845 . 1 . 1 80 80 VAL CA C 13 59.9 0.3 . 1 . . . . . 80 VAL CA . 18621 1 846 . 1 . 1 80 80 VAL CB C 13 36.8 0.3 . 1 . . . . . 80 VAL CB . 18621 1 847 . 1 . 1 80 80 VAL CG1 C 13 20.6 0.3 . 1 . . . . . 80 VAL CG1 . 18621 1 848 . 1 . 1 80 80 VAL CG2 C 13 24.3 0.3 . 1 . . . . . 80 VAL CG2 . 18621 1 849 . 1 . 1 80 80 VAL N N 15 119.5 0.3 . 1 . . . . . 80 VAL N . 18621 1 850 . 1 . 1 81 81 ARG H H 1 8.72 0.02 . 1 . . . . . 81 ARG H . 18621 1 851 . 1 . 1 81 81 ARG HA H 1 4.84 0.02 . 1 . . . . . 81 ARG HA . 18621 1 852 . 1 . 1 81 81 ARG HB2 H 1 1.57 0.02 . 2 . . . . . 81 ARG HB2 . 18621 1 853 . 1 . 1 81 81 ARG HB3 H 1 0.85 0.02 . 2 . . . . . 81 ARG HB3 . 18621 1 854 . 1 . 1 81 81 ARG HG2 H 1 1.08 0.02 . 2 . . . . . 81 ARG HG2 . 18621 1 855 . 1 . 1 81 81 ARG HG3 H 1 0.79 0.02 . 2 . . . . . 81 ARG HG3 . 18621 1 856 . 1 . 1 81 81 ARG HD2 H 1 2.06 0.02 . 2 . . . . . 81 ARG HD2 . 18621 1 857 . 1 . 1 81 81 ARG HD3 H 1 1.60 0.02 . 2 . . . . . 81 ARG HD3 . 18621 1 858 . 1 . 1 81 81 ARG C C 13 173.8 0.3 . 1 . . . . . 81 ARG C . 18621 1 859 . 1 . 1 81 81 ARG CA C 13 54.1 0.3 . 1 . . . . . 81 ARG CA . 18621 1 860 . 1 . 1 81 81 ARG CB C 13 35.4 0.3 . 1 . . . . . 81 ARG CB . 18621 1 861 . 1 . 1 81 81 ARG CG C 13 26.0 0.3 . 1 . . . . . 81 ARG CG . 18621 1 862 . 1 . 1 81 81 ARG CD C 13 44.2 0.3 . 1 . . . . . 81 ARG CD . 18621 1 863 . 1 . 1 81 81 ARG N N 15 122.9 0.3 . 1 . . . . . 81 ARG N . 18621 1 864 . 1 . 1 82 82 ARG H H 1 8.33 0.02 . 1 . . . . . 82 ARG H . 18621 1 865 . 1 . 1 82 82 ARG HA H 1 4.12 0.02 . 1 . . . . . 82 ARG HA . 18621 1 866 . 1 . 1 82 82 ARG HB2 H 1 1.68 0.02 . 2 . . . . . 82 ARG HB2 . 18621 1 867 . 1 . 1 82 82 ARG HB3 H 1 1.57 0.02 . 2 . . . . . 82 ARG HB3 . 18621 1 868 . 1 . 1 82 82 ARG HG2 H 1 1.57 0.02 . 2 . . . . . 82 ARG HG2 . 18621 1 869 . 1 . 1 82 82 ARG HG3 H 1 1.63 0.02 . 2 . . . . . 82 ARG HG3 . 18621 1 870 . 1 . 1 82 82 ARG HD2 H 1 2.78 0.02 . 2 . . . . . 82 ARG HD2 . 18621 1 871 . 1 . 1 82 82 ARG HD3 H 1 3.29 0.02 . 2 . . . . . 82 ARG HD3 . 18621 1 872 . 1 . 1 82 82 ARG C C 13 176.0 0.3 . 1 . . . . . 82 ARG C . 18621 1 873 . 1 . 1 82 82 ARG CA C 13 56.3 0.3 . 1 . . . . . 82 ARG CA . 18621 1 874 . 1 . 1 82 82 ARG CB C 13 32.4 0.3 . 1 . . . . . 82 ARG CB . 18621 1 875 . 1 . 1 82 82 ARG CG C 13 27.7 0.3 . 1 . . . . . 82 ARG CG . 18621 1 876 . 1 . 1 82 82 ARG CD C 13 44.9 0.3 . 1 . . . . . 82 ARG CD . 18621 1 877 . 1 . 1 82 82 ARG N N 15 119.1 0.3 . 1 . . . . . 82 ARG N . 18621 1 878 . 1 . 1 83 83 LEU H H 1 7.62 0.02 . 1 . . . . . 83 LEU H . 18621 1 879 . 1 . 1 83 83 LEU HA H 1 4.06 0.02 . 1 . . . . . 83 LEU HA . 18621 1 880 . 1 . 1 83 83 LEU HG H 1 1.15 0.02 . 1 . . . . . 83 LEU HG . 18621 1 881 . 1 . 1 83 83 LEU HD11 H 1 0.64 0.02 . 1 . . . . . 83 LEU HD1 . 18621 1 882 . 1 . 1 83 83 LEU HD12 H 1 0.64 0.02 . 1 . . . . . 83 LEU HD1 . 18621 1 883 . 1 . 1 83 83 LEU HD13 H 1 0.64 0.02 . 1 . . . . . 83 LEU HD1 . 18621 1 884 . 1 . 1 83 83 LEU HD21 H 1 0.71 0.02 . 1 . . . . . 83 LEU HD2 . 18621 1 885 . 1 . 1 83 83 LEU HD22 H 1 0.71 0.02 . 1 . . . . . 83 LEU HD2 . 18621 1 886 . 1 . 1 83 83 LEU HD23 H 1 0.71 0.02 . 1 . . . . . 83 LEU HD2 . 18621 1 887 . 1 . 1 83 83 LEU C C 13 177.6 0.3 . 1 . . . . . 83 LEU C . 18621 1 888 . 1 . 1 83 83 LEU CA C 13 57.1 0.3 . 1 . . . . . 83 LEU CA . 18621 1 889 . 1 . 1 83 83 LEU CB C 13 44.3 0.3 . 1 . . . . . 83 LEU CB . 18621 1 890 . 1 . 1 83 83 LEU CG C 13 27.9 0.3 . 1 . . . . . 83 LEU CG . 18621 1 891 . 1 . 1 83 83 LEU CD1 C 13 25.7 0.3 . 1 . . . . . 83 LEU CD1 . 18621 1 892 . 1 . 1 83 83 LEU CD2 C 13 24.8 0.3 . 1 . . . . . 83 LEU CD2 . 18621 1 893 . 1 . 1 83 83 LEU N N 15 122.8 0.3 . 1 . . . . . 83 LEU N . 18621 1 894 . 1 . 1 84 84 ASP H H 1 8.19 0.02 . 1 . . . . . 84 ASP H . 18621 1 895 . 1 . 1 84 84 ASP HA H 1 4.83 0.02 . 1 . . . . . 84 ASP HA . 18621 1 896 . 1 . 1 84 84 ASP HB2 H 1 2.64 0.02 . 2 . . . . . 84 ASP HB2 . 18621 1 897 . 1 . 1 84 84 ASP HB3 H 1 2.37 0.02 . 2 . . . . . 84 ASP HB3 . 18621 1 898 . 1 . 1 84 84 ASP C C 13 174.8 0.3 . 1 . . . . . 84 ASP C . 18621 1 899 . 1 . 1 84 84 ASP CA C 13 53.8 0.3 . 1 . . . . . 84 ASP CA . 18621 1 900 . 1 . 1 84 84 ASP CB C 13 41.2 0.3 . 1 . . . . . 84 ASP CB . 18621 1 901 . 1 . 1 84 84 ASP N N 15 120.4 0.3 . 1 . . . . . 84 ASP N . 18621 1 902 . 1 . 1 85 85 PRO HA H 1 4.39 0.02 . 1 . . . . . 85 PRO HA . 18621 1 903 . 1 . 1 85 85 PRO HB2 H 1 2.30 0.02 . 2 . . . . . 85 PRO HB2 . 18621 1 904 . 1 . 1 85 85 PRO HB3 H 1 1.86 0.02 . 2 . . . . . 85 PRO HB3 . 18621 1 905 . 1 . 1 85 85 PRO HD2 H 1 3.87 0.02 . 2 . . . . . 85 PRO HD2 . 18621 1 906 . 1 . 1 85 85 PRO HD3 H 1 3.67 0.02 . 2 . . . . . 85 PRO HD3 . 18621 1 907 . 1 . 1 85 85 PRO C C 13 176.8 0.3 . 1 . . . . . 85 PRO C . 18621 1 908 . 1 . 1 85 85 PRO CA C 13 63.7 0.3 . 1 . . . . . 85 PRO CA . 18621 1 909 . 1 . 1 85 85 PRO CB C 13 33.3 0.3 . 1 . . . . . 85 PRO CB . 18621 1 910 . 1 . 1 85 85 PRO CG C 13 28.4 0.3 . 1 . . . . . 85 PRO CG . 18621 1 911 . 1 . 1 85 85 PRO CD C 13 51.7 0.3 . 1 . . . . . 85 PRO CD . 18621 1 912 . 1 . 1 86 86 LEU H H 1 8.66 0.02 . 1 . . . . . 86 LEU H . 18621 1 913 . 1 . 1 86 86 LEU HA H 1 4.41 0.02 . 1 . . . . . 86 LEU HA . 18621 1 914 . 1 . 1 86 86 LEU HB2 H 1 1.57 0.02 . 2 . . . . . 86 LEU HB2 . 18621 1 915 . 1 . 1 86 86 LEU HB3 H 1 1.51 0.02 . 2 . . . . . 86 LEU HB3 . 18621 1 916 . 1 . 1 86 86 LEU HG H 1 1.74 0.02 . 1 . . . . . 86 LEU HG . 18621 1 917 . 1 . 1 86 86 LEU HD11 H 1 0.92 0.02 . 1 . . . . . 86 LEU HD1 . 18621 1 918 . 1 . 1 86 86 LEU HD12 H 1 0.92 0.02 . 1 . . . . . 86 LEU HD1 . 18621 1 919 . 1 . 1 86 86 LEU HD13 H 1 0.92 0.02 . 1 . . . . . 86 LEU HD1 . 18621 1 920 . 1 . 1 86 86 LEU HD21 H 1 0.87 0.02 . 1 . . . . . 86 LEU HD2 . 18621 1 921 . 1 . 1 86 86 LEU HD22 H 1 0.87 0.02 . 1 . . . . . 86 LEU HD2 . 18621 1 922 . 1 . 1 86 86 LEU HD23 H 1 0.87 0.02 . 1 . . . . . 86 LEU HD2 . 18621 1 923 . 1 . 1 86 86 LEU C C 13 175.1 0.3 . 1 . . . . . 86 LEU C . 18621 1 924 . 1 . 1 86 86 LEU CA C 13 54.3 0.3 . 1 . . . . . 86 LEU CA . 18621 1 925 . 1 . 1 86 86 LEU CB C 13 41.9 0.3 . 1 . . . . . 86 LEU CB . 18621 1 926 . 1 . 1 86 86 LEU CG C 13 28.4 0.3 . 1 . . . . . 86 LEU CG . 18621 1 927 . 1 . 1 86 86 LEU CD1 C 13 26.1 0.3 . 1 . . . . . 86 LEU CD1 . 18621 1 928 . 1 . 1 86 86 LEU CD2 C 13 24.5 0.3 . 1 . . . . . 86 LEU CD2 . 18621 1 929 . 1 . 1 86 86 LEU N N 15 124.2 0.3 . 1 . . . . . 86 LEU N . 18621 1 930 . 1 . 1 87 87 PRO HA H 1 4.41 0.02 . 1 . . . . . 87 PRO HA . 18621 1 931 . 1 . 1 87 87 PRO HB2 H 1 1.88 0.02 . 2 . . . . . 87 PRO HB2 . 18621 1 932 . 1 . 1 87 87 PRO HB3 H 1 2.27 0.02 . 2 . . . . . 87 PRO HB3 . 18621 1 933 . 1 . 1 87 87 PRO HD2 H 1 3.81 0.02 . 2 . . . . . 87 PRO HD2 . 18621 1 934 . 1 . 1 87 87 PRO HD3 H 1 3.51 0.02 . 2 . . . . . 87 PRO HD3 . 18621 1 935 . 1 . 1 87 87 PRO C C 13 176.8 0.3 . 1 . . . . . 87 PRO C . 18621 1 936 . 1 . 1 87 87 PRO CA C 13 63.9 0.3 . 1 . . . . . 87 PRO CA . 18621 1 937 . 1 . 1 87 87 PRO CB C 13 33.1 0.3 . 1 . . . . . 87 PRO CB . 18621 1 938 . 1 . 1 87 87 PRO CG C 13 28.4 0.3 . 1 . . . . . 87 PRO CG . 18621 1 939 . 1 . 1 87 87 PRO CD C 13 51.6 0.3 . 1 . . . . . 87 PRO CD . 18621 1 940 . 1 . 1 88 88 GLU H H 1 8.55 0.02 . 1 . . . . . 88 GLU H . 18621 1 941 . 1 . 1 88 88 GLU HA H 1 4.17 0.02 . 1 . . . . . 88 GLU HA . 18621 1 942 . 1 . 1 88 88 GLU HB2 H 1 1.90 0.02 . 2 . . . . . 88 GLU HB2 . 18621 1 943 . 1 . 1 88 88 GLU HB3 H 1 1.97 0.02 . 2 . . . . . 88 GLU HB3 . 18621 1 944 . 1 . 1 88 88 GLU HG2 H 1 2.17 0.02 . 2 . . . . . 88 GLU HG2 . 18621 1 945 . 1 . 1 88 88 GLU HG3 H 1 2.24 0.02 . 2 . . . . . 88 GLU HG3 . 18621 1 946 . 1 . 1 88 88 GLU C C 13 176.4 0.3 . 1 . . . . . 88 GLU C . 18621 1 947 . 1 . 1 88 88 GLU CA C 13 57.8 0.3 . 1 . . . . . 88 GLU CA . 18621 1 948 . 1 . 1 88 88 GLU CB C 13 31.3 0.3 . 1 . . . . . 88 GLU CB . 18621 1 949 . 1 . 1 88 88 GLU CG C 13 37.2 0.3 . 1 . . . . . 88 GLU CG . 18621 1 950 . 1 . 1 88 88 GLU N N 15 120.4 0.3 . 1 . . . . . 88 GLU N . 18621 1 951 . 1 . 1 89 89 ASN H H 1 8.44 0.02 . 1 . . . . . 89 ASN H . 18621 1 952 . 1 . 1 89 89 ASN HA H 1 4.67 0.02 . 1 . . . . . 89 ASN HA . 18621 1 953 . 1 . 1 89 89 ASN HD21 H 1 6.85 0.02 . 1 . . . . . 89 ASN HD21 . 18621 1 954 . 1 . 1 89 89 ASN HD22 H 1 7.69 0.02 . 1 . . . . . 89 ASN HD22 . 18621 1 955 . 1 . 1 89 89 ASN C C 13 175.1 0.3 . 1 . . . . . 89 ASN C . 18621 1 956 . 1 . 1 89 89 ASN CA C 13 54.3 0.3 . 1 . . . . . 89 ASN CA . 18621 1 957 . 1 . 1 89 89 ASN CB C 13 39.5 0.3 . 1 . . . . . 89 ASN CB . 18621 1 958 . 1 . 1 89 89 ASN N N 15 118.2 0.3 . 1 . . . . . 89 ASN N . 18621 1 959 . 1 . 1 89 89 ASN ND2 N 15 112.5 0.3 . 1 . . . . . 89 ASN ND2 . 18621 1 960 . 1 . 1 90 90 ILE H H 1 7.86 0.02 . 1 . . . . . 90 ILE H . 18621 1 961 . 1 . 1 90 90 ILE HA H 1 4.12 0.02 . 1 . . . . . 90 ILE HA . 18621 1 962 . 1 . 1 90 90 ILE HB H 1 1.84 0.02 . 1 . . . . . 90 ILE HB . 18621 1 963 . 1 . 1 90 90 ILE HG12 H 1 1.39 0.02 . 2 . . . . . 90 ILE HG12 . 18621 1 964 . 1 . 1 90 90 ILE HG13 H 1 1.13 0.02 . 2 . . . . . 90 ILE HG13 . 18621 1 965 . 1 . 1 90 90 ILE HG21 H 1 0.84 0.02 . 1 . . . . . 90 ILE HG2 . 18621 1 966 . 1 . 1 90 90 ILE HG22 H 1 0.84 0.02 . 1 . . . . . 90 ILE HG2 . 18621 1 967 . 1 . 1 90 90 ILE HG23 H 1 0.84 0.02 . 1 . . . . . 90 ILE HG2 . 18621 1 968 . 1 . 1 90 90 ILE HD11 H 1 0.82 0.02 . 1 . . . . . 90 ILE HD1 . 18621 1 969 . 1 . 1 90 90 ILE HD12 H 1 0.82 0.02 . 1 . . . . . 90 ILE HD1 . 18621 1 970 . 1 . 1 90 90 ILE HD13 H 1 0.82 0.02 . 1 . . . . . 90 ILE HD1 . 18621 1 971 . 1 . 1 90 90 ILE C C 13 175.4 0.3 . 1 . . . . . 90 ILE C . 18621 1 972 . 1 . 1 90 90 ILE CA C 13 62.1 0.3 . 1 . . . . . 90 ILE CA . 18621 1 973 . 1 . 1 90 90 ILE CB C 13 39.7 0.3 . 1 . . . . . 90 ILE CB . 18621 1 974 . 1 . 1 90 90 ILE CG1 C 13 28.2 0.3 . 1 . . . . . 90 ILE CG1 . 18621 1 975 . 1 . 1 90 90 ILE CG2 C 13 18.5 0.3 . 1 . . . . . 90 ILE CG2 . 18621 1 976 . 1 . 1 90 90 ILE CD1 C 13 14.3 0.3 . 1 . . . . . 90 ILE CD1 . 18621 1 977 . 1 . 1 90 90 ILE N N 15 119.8 0.3 . 1 . . . . . 90 ILE N . 18621 1 978 . 1 . 1 91 91 ASP H H 1 8.37 0.02 . 1 . . . . . 91 ASP H . 18621 1 979 . 1 . 1 91 91 ASP HA H 1 4.62 0.02 . 1 . . . . . 91 ASP HA . 18621 1 980 . 1 . 1 91 91 ASP HB2 H 1 2.57 0.02 . 2 . . . . . 91 ASP HB2 . 18621 1 981 . 1 . 1 91 91 ASP HB3 H 1 2.74 0.02 . 2 . . . . . 91 ASP HB3 . 18621 1 982 . 1 . 1 91 91 ASP C C 13 176.3 0.3 . 1 . . . . . 91 ASP C . 18621 1 983 . 1 . 1 91 91 ASP CA C 13 55.2 0.3 . 1 . . . . . 91 ASP CA . 18621 1 984 . 1 . 1 91 91 ASP CB C 13 42.2 0.3 . 1 . . . . . 91 ASP CB . 18621 1 985 . 1 . 1 91 91 ASP N N 15 123.8 0.3 . 1 . . . . . 91 ASP N . 18621 1 stop_ save_