data_18620 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18620 _Entry.Title ; NMR Chemical Shift Assignments of N terminal RRM 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 'N-RRM 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 . . . . 18620 2 Aikaterini Argyriou . I. . . 18620 3 Maria Apostolidi . . . . 18620 4 Christos Chasapis . T. . . 18620 5 Constantinos Stathopoulos . . . . 18620 6 Detlef Bentrop . . . . 18620 7 Georgios Spyroulias . A. . . 18620 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18620 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 430 18620 '15N chemical shifts' 102 18620 '1H chemical shifts' 536 18620 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 3 . . 2020-01-17 2012-07-27 update author 'update chemical shifts' 18620 2 . . 2014-05-13 2012-07-27 update BMRB 'update entry citation' 18620 1 . . 2013-02-14 2012-07-27 original author 'original release' 18620 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18621 'La-type RNA-binding domain' 18620 PDB 1S79 'Solution structure of the central RRM of human La protein' 18620 PDB 2VON "Structural analysis reveals conformational plasticity in the recognition of RNA 3' ends by the human La protein." 18620 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18620 _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 . . . . 18620 1 2 Dionysios Vourtsis . J. . . 18620 1 3 Christos Chasapis . T. . . 18620 1 4 Constantinos Stathopoulos . . . . 18620 1 5 Detlef Bentrop . . . . 18620 1 6 Georgios Spyroulias . A. . . 18620 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18620 _Assembly.ID 1 _Assembly.Name 'RRM 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 ; Biological_function: Binds to the 3' poly(U) terminii of nascent RNA polymerase III transcripts, protecting them from exonuclease digestion and facilitating their folding and maturation. ; _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 'RRM domain' 1 $RRM A . yes native no no . . . 18620 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 1OWX . . 'solution NMR' . 'Solution structure of the C-terminal RRM of human La' . 18620 1 yes PDB 1S79 . . 'solution NMR' . 'Solution structure of the central RRM of human La protein' . 18620 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM _Entity.Sf_category entity _Entity.Sf_framecode RRM _Entity.Entry_ID 18620 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM _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 ; GKTLYSKGWPEDTTIEKVQE FFNANGGYKVVSVRLRKKSD KSFKGSFLADFETEEIVNKI ITEAPKLGEKELIYQTFKQF SDEKKDEKEKFFASTNGDK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1 GLY' _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'RNA Recognition Motif' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11412.86 _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' . . . . . . . . . . . . . . 18620 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Histone mRNA metabolic process' 18620 1 'RNA- binding' 18620 1 'tRNA modification' 18620 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 . GLY . 18620 1 2 . LYS . 18620 1 3 . THR . 18620 1 4 . LEU . 18620 1 5 . TYR . 18620 1 6 . SER . 18620 1 7 . LYS . 18620 1 8 . GLY . 18620 1 9 . TRP . 18620 1 10 . PRO . 18620 1 11 . GLU . 18620 1 12 . ASP . 18620 1 13 . THR . 18620 1 14 . THR . 18620 1 15 . ILE . 18620 1 16 . GLU . 18620 1 17 . LYS . 18620 1 18 . VAL . 18620 1 19 . GLN . 18620 1 20 . GLU . 18620 1 21 . PHE . 18620 1 22 . PHE . 18620 1 23 . ASN . 18620 1 24 . ALA . 18620 1 25 . ASN . 18620 1 26 . GLY . 18620 1 27 . GLY . 18620 1 28 . TYR . 18620 1 29 . LYS . 18620 1 30 . VAL . 18620 1 31 . VAL . 18620 1 32 . SER . 18620 1 33 . VAL . 18620 1 34 . ARG . 18620 1 35 . LEU . 18620 1 36 . ARG . 18620 1 37 . LYS . 18620 1 38 . LYS . 18620 1 39 . SER . 18620 1 40 . ASP . 18620 1 41 . LYS . 18620 1 42 . SER . 18620 1 43 . PHE . 18620 1 44 . LYS . 18620 1 45 . GLY . 18620 1 46 . SER . 18620 1 47 . PHE . 18620 1 48 . LEU . 18620 1 49 . ALA . 18620 1 50 . ASP . 18620 1 51 . PHE . 18620 1 52 . GLU . 18620 1 53 . THR . 18620 1 54 . GLU . 18620 1 55 . GLU . 18620 1 56 . ILE . 18620 1 57 . VAL . 18620 1 58 . ASN . 18620 1 59 . LYS . 18620 1 60 . ILE . 18620 1 61 . ILE . 18620 1 62 . THR . 18620 1 63 . GLU . 18620 1 64 . ALA . 18620 1 65 . PRO . 18620 1 66 . LYS . 18620 1 67 . LEU . 18620 1 68 . GLY . 18620 1 69 . GLU . 18620 1 70 . LYS . 18620 1 71 . GLU . 18620 1 72 . LEU . 18620 1 73 . ILE . 18620 1 74 . TYR . 18620 1 75 . GLN . 18620 1 76 . THR . 18620 1 77 . PHE . 18620 1 78 . LYS . 18620 1 79 . GLN . 18620 1 80 . PHE . 18620 1 81 . SER . 18620 1 82 . ASP . 18620 1 83 . GLU . 18620 1 84 . LYS . 18620 1 85 . LYS . 18620 1 86 . ASP . 18620 1 87 . GLU . 18620 1 88 . LYS . 18620 1 89 . GLU . 18620 1 90 . LYS . 18620 1 91 . PHE . 18620 1 92 . PHE . 18620 1 93 . ALA . 18620 1 94 . SER . 18620 1 95 . THR . 18620 1 96 . ASN . 18620 1 97 . GLY . 18620 1 98 . ASP . 18620 1 99 . LYS . 18620 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 . GLY 1 1 18620 1 . LYS 2 2 18620 1 . THR 3 3 18620 1 . LEU 4 4 18620 1 . TYR 5 5 18620 1 . SER 6 6 18620 1 . LYS 7 7 18620 1 . GLY 8 8 18620 1 . TRP 9 9 18620 1 . PRO 10 10 18620 1 . GLU 11 11 18620 1 . ASP 12 12 18620 1 . THR 13 13 18620 1 . THR 14 14 18620 1 . ILE 15 15 18620 1 . GLU 16 16 18620 1 . LYS 17 17 18620 1 . VAL 18 18 18620 1 . GLN 19 19 18620 1 . GLU 20 20 18620 1 . PHE 21 21 18620 1 . PHE 22 22 18620 1 . ASN 23 23 18620 1 . ALA 24 24 18620 1 . ASN 25 25 18620 1 . GLY 26 26 18620 1 . GLY 27 27 18620 1 . TYR 28 28 18620 1 . LYS 29 29 18620 1 . VAL 30 30 18620 1 . VAL 31 31 18620 1 . SER 32 32 18620 1 . VAL 33 33 18620 1 . ARG 34 34 18620 1 . LEU 35 35 18620 1 . ARG 36 36 18620 1 . LYS 37 37 18620 1 . LYS 38 38 18620 1 . SER 39 39 18620 1 . ASP 40 40 18620 1 . LYS 41 41 18620 1 . SER 42 42 18620 1 . PHE 43 43 18620 1 . LYS 44 44 18620 1 . GLY 45 45 18620 1 . SER 46 46 18620 1 . PHE 47 47 18620 1 . LEU 48 48 18620 1 . ALA 49 49 18620 1 . ASP 50 50 18620 1 . PHE 51 51 18620 1 . GLU 52 52 18620 1 . THR 53 53 18620 1 . GLU 54 54 18620 1 . GLU 55 55 18620 1 . ILE 56 56 18620 1 . VAL 57 57 18620 1 . ASN 58 58 18620 1 . LYS 59 59 18620 1 . ILE 60 60 18620 1 . ILE 61 61 18620 1 . THR 62 62 18620 1 . GLU 63 63 18620 1 . ALA 64 64 18620 1 . PRO 65 65 18620 1 . LYS 66 66 18620 1 . LEU 67 67 18620 1 . GLY 68 68 18620 1 . GLU 69 69 18620 1 . LYS 70 70 18620 1 . GLU 71 71 18620 1 . LEU 72 72 18620 1 . ILE 73 73 18620 1 . TYR 74 74 18620 1 . GLN 75 75 18620 1 . THR 76 76 18620 1 . PHE 77 77 18620 1 . LYS 78 78 18620 1 . GLN 79 79 18620 1 . PHE 80 80 18620 1 . SER 81 81 18620 1 . ASP 82 82 18620 1 . GLU 83 83 18620 1 . LYS 84 84 18620 1 . LYS 85 85 18620 1 . ASP 86 86 18620 1 . GLU 87 87 18620 1 . LYS 88 88 18620 1 . GLU 89 89 18620 1 . LYS 90 90 18620 1 . PHE 91 91 18620 1 . PHE 92 92 18620 1 . ALA 93 93 18620 1 . SER 94 94 18620 1 . THR 95 95 18620 1 . ASN 96 96 18620 1 . GLY 97 97 18620 1 . ASP 98 98 18620 1 . LYS 99 99 18620 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 18620 _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 $RRM . 44689 organism . 'Dictyostelium discoideum' 'Dictyostelium discoideum' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . 'DDB_0204655, DDB_G0281763' . 18620 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 18620 _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 $RRM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET . . . 18620 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18620 _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 RRM '[U-98% 15N]' . . 1 $RRM . . 0.35 . . mM . . . . 18620 1 2 'buffer salts' 'natural abundance' . . . . . . 50 . . mM . . . . 18620 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18620 _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 RRM '[U-98% 13C; U-98% 15N]' . . 1 $RRM . . 0.35 . . mM . . . . 18620 2 2 'buffer salts' 'natural abundance' . . . . . . 50 . . mM . . . . 18620 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 18620 _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 18620 1 pH 7 . pH 18620 1 pressure 1 . atm 18620 1 temperature 298 . K 18620 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 18620 _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 18620 2 pH 7 . pH 18620 2 temperature 298 . K 18620 2 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18620 _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' . . 18620 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18620 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 18620 _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 18620 _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 . . . 18620 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 18620 _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 . . . . . . . . . . . . . . . . 18620 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18620 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18620 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18620 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18620 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18620 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18620 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18620 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 18620 _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 . . . . . 18620 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 18620 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 18620 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 18620 _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' . . . 18620 1 3 '3D CBCA(CO)NH' . . . 18620 1 4 '3D HNCO' . . . 18620 1 5 '3D HNCA' . . . 18620 1 6 '3D HNCACB' . . . 18620 1 7 '3D HN(CO)CA' . . . 18620 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 1 1 GLY H H 1 8.85 0.02 . 1 . . . . . 1 GLY H . 18620 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.91 0.02 . 2 . . . . . 1 GLY HA2 . 18620 1 3 . 1 . 1 1 1 GLY HA3 H 1 4.26 0.02 . 2 . . . . . 1 GLY HA3 . 18620 1 4 . 1 . 1 1 1 GLY C C 13 174.3 0.3 . 1 . . . . . 1 GLY C . 18620 1 5 . 1 . 1 1 1 GLY CA C 13 46.2 0.3 . 1 . . . . . 1 GLY CA . 18620 1 6 . 1 . 1 1 1 GLY N N 15 108.9 0.3 . 1 . . . . . 1 GLY N . 18620 1 7 . 1 . 1 2 2 LYS H H 1 7.54 0.02 . 1 . . . . . 2 LYS H . 18620 1 8 . 1 . 1 2 2 LYS HA H 1 4.16 0.02 . 1 . . . . . 2 LYS HA . 18620 1 9 . 1 . 1 2 2 LYS HB2 H 1 2.27 0.02 . 2 . . . . . 2 LYS HB2 . 18620 1 10 . 1 . 1 2 2 LYS HB3 H 1 1.64 0.02 . 2 . . . . . 2 LYS HB3 . 18620 1 11 . 1 . 1 2 2 LYS C C 13 174.0 0.3 . 1 . . . . . 2 LYS C . 18620 1 12 . 1 . 1 2 2 LYS CA C 13 56.8 0.3 . 1 . . . . . 2 LYS CA . 18620 1 13 . 1 . 1 2 2 LYS CB C 13 31.4 0.3 . 1 . . . . . 2 LYS CB . 18620 1 14 . 1 . 1 2 2 LYS CG C 13 24.6 0.3 . 1 . . . . . 2 LYS CG . 18620 1 15 . 1 . 1 2 2 LYS CD C 13 29.7 0.3 . 1 . . . . . 2 LYS CD . 18620 1 16 . 1 . 1 2 2 LYS CE C 13 41.9 0.3 . 1 . . . . . 2 LYS CE . 18620 1 17 . 1 . 1 2 2 LYS N N 15 116.3 0.3 . 1 . . . . . 2 LYS N . 18620 1 18 . 1 . 1 3 3 THR H H 1 7.58 0.02 . 1 . . . . . 3 THR H . 18620 1 19 . 1 . 1 3 3 THR HA H 1 5.27 0.02 . 1 . . . . . 3 THR HA . 18620 1 20 . 1 . 1 3 3 THR HB H 1 3.78 0.02 . 1 . . . . . 3 THR HB . 18620 1 21 . 1 . 1 3 3 THR HG21 H 1 1.15 0.02 . 1 . . . . . 3 THR HG2 . 18620 1 22 . 1 . 1 3 3 THR HG22 H 1 1.15 0.02 . 1 . . . . . 3 THR HG2 . 18620 1 23 . 1 . 1 3 3 THR HG23 H 1 1.15 0.02 . 1 . . . . . 3 THR HG2 . 18620 1 24 . 1 . 1 3 3 THR C C 13 172.1 0.3 . 1 . . . . . 3 THR C . 18620 1 25 . 1 . 1 3 3 THR CA C 13 62.1 0.3 . 1 . . . . . 3 THR CA . 18620 1 26 . 1 . 1 3 3 THR CB C 13 70.8 0.3 . 1 . . . . . 3 THR CB . 18620 1 27 . 1 . 1 3 3 THR CG2 C 13 23.3 0.3 . 1 . . . . . 3 THR CG2 . 18620 1 28 . 1 . 1 3 3 THR N N 15 116.7 0.3 . 1 . . . . . 3 THR N . 18620 1 29 . 1 . 1 4 4 LEU H H 1 9.90 0.02 . 1 . . . . . 4 LEU H . 18620 1 30 . 1 . 1 4 4 LEU HA H 1 4.89 0.02 . 1 . . . . . 4 LEU HA . 18620 1 31 . 1 . 1 4 4 LEU HB2 H 1 2.29 0.02 . 2 . . . . . 4 LEU HB2 . 18620 1 32 . 1 . 1 4 4 LEU HB3 H 1 1.71 0.02 . 2 . . . . . 4 LEU HB3 . 18620 1 33 . 1 . 1 4 4 LEU HG H 1 1.12 0.02 . 1 . . . . . 4 LEU HG . 18620 1 34 . 1 . 1 4 4 LEU HD11 H 1 1.89 0.02 . 1 . . . . . 4 LEU HD1 . 18620 1 35 . 1 . 1 4 4 LEU HD12 H 1 1.89 0.02 . 1 . . . . . 4 LEU HD1 . 18620 1 36 . 1 . 1 4 4 LEU HD13 H 1 1.89 0.02 . 1 . . . . . 4 LEU HD1 . 18620 1 37 . 1 . 1 4 4 LEU HD21 H 1 1.17 0.02 . 1 . . . . . 4 LEU HD2 . 18620 1 38 . 1 . 1 4 4 LEU HD22 H 1 1.17 0.02 . 1 . . . . . 4 LEU HD2 . 18620 1 39 . 1 . 1 4 4 LEU HD23 H 1 1.17 0.02 . 1 . . . . . 4 LEU HD2 . 18620 1 40 . 1 . 1 4 4 LEU C C 13 174.4 0.3 . 1 . . . . . 4 LEU C . 18620 1 41 . 1 . 1 4 4 LEU CA C 13 53.0 0.3 . 1 . . . . . 4 LEU CA . 18620 1 42 . 1 . 1 4 4 LEU CB C 13 47.7 0.3 . 1 . . . . . 4 LEU CB . 18620 1 43 . 1 . 1 4 4 LEU CG C 13 28.5 0.3 . 1 . . . . . 4 LEU CG . 18620 1 44 . 1 . 1 4 4 LEU CD1 C 13 26.9 0.3 . 1 . . . . . 4 LEU CD1 . 18620 1 45 . 1 . 1 4 4 LEU CD2 C 13 24.4 0.3 . 1 . . . . . 4 LEU CD2 . 18620 1 46 . 1 . 1 4 4 LEU N N 15 127.9 0.3 . 1 . . . . . 4 LEU N . 18620 1 47 . 1 . 1 5 5 TYR H H 1 9.03 0.02 . 1 . . . . . 5 TYR H . 18620 1 48 . 1 . 1 5 5 TYR HA H 1 5.45 0.02 . 1 . . . . . 5 TYR HA . 18620 1 49 . 1 . 1 5 5 TYR C C 13 174.1 0.3 . 1 . . . . . 5 TYR C . 18620 1 50 . 1 . 1 5 5 TYR CA C 13 55.4 0.3 . 1 . . . . . 5 TYR CA . 18620 1 51 . 1 . 1 5 5 TYR CB C 13 40.8 0.3 . 1 . . . . . 5 TYR CB . 18620 1 52 . 1 . 1 5 5 TYR CD1 C 13 117.6 0.3 . 1 . . . . . 5 TYR CD1 . 18620 1 53 . 1 . 1 5 5 TYR CE1 C 13 133.0 0.3 . 1 . . . . . 5 TYR CE1 . 18620 1 54 . 1 . 1 5 5 TYR N N 15 125.0 0.3 . 1 . . . . . 5 TYR N . 18620 1 55 . 1 . 1 6 6 SER H H 1 7.53 0.02 . 1 . . . . . 6 SER H . 18620 1 56 . 1 . 1 6 6 SER HA H 1 5.22 0.02 . 1 . . . . . 6 SER HA . 18620 1 57 . 1 . 1 6 6 SER C C 13 171.5 0.3 . 1 . . . . . 6 SER C . 18620 1 58 . 1 . 1 6 6 SER CA C 13 54.2 0.3 . 1 . . . . . 6 SER CA . 18620 1 59 . 1 . 1 6 6 SER CB C 13 65.6 0.3 . 1 . . . . . 6 SER CB . 18620 1 60 . 1 . 1 6 6 SER N N 15 119.4 0.3 . 1 . . . . . 6 SER N . 18620 1 61 . 1 . 1 7 7 LYS H H 1 7.81 0.02 . 1 . . . . . 7 LYS H . 18620 1 62 . 1 . 1 7 7 LYS HA H 1 4.96 0.02 . 1 . . . . . 7 LYS HA . 18620 1 63 . 1 . 1 7 7 LYS HB2 H 1 1.60 0.02 . 2 . . . . . 7 LYS HB2 . 18620 1 64 . 1 . 1 7 7 LYS HB3 H 1 1.45 0.02 . 2 . . . . . 7 LYS HB3 . 18620 1 65 . 1 . 1 7 7 LYS HD2 H 1 1.70 0.02 . 2 . . . . . 7 LYS HD2 . 18620 1 66 . 1 . 1 7 7 LYS HD3 H 1 1.87 0.02 . 2 . . . . . 7 LYS HD3 . 18620 1 67 . 1 . 1 7 7 LYS C C 13 173.3 0.3 . 1 . . . . . 7 LYS C . 18620 1 68 . 1 . 1 7 7 LYS CA C 13 54.9 0.3 . 1 . . . . . 7 LYS CA . 18620 1 69 . 1 . 1 7 7 LYS CB C 13 36.1 0.3 . 1 . . . . . 7 LYS CB . 18620 1 70 . 1 . 1 7 7 LYS CG C 13 24.6 0.3 . 1 . . . . . 7 LYS CG . 18620 1 71 . 1 . 1 7 7 LYS CD C 13 29.5 0.3 . 1 . . . . . 7 LYS CD . 18620 1 72 . 1 . 1 7 7 LYS CE C 13 41.9 0.3 . 1 . . . . . 7 LYS CE . 18620 1 73 . 1 . 1 7 7 LYS N N 15 121.8 0.3 . 1 . . . . . 7 LYS N . 18620 1 74 . 1 . 1 8 8 GLY H H 1 7.78 0.02 . 1 . . . . . 8 GLY H . 18620 1 75 . 1 . 1 8 8 GLY HA2 H 1 3.62 0.02 . 2 . . . . . 8 GLY HA2 . 18620 1 76 . 1 . 1 8 8 GLY HA3 H 1 4.40 0.02 . 2 . . . . . 8 GLY HA3 . 18620 1 77 . 1 . 1 8 8 GLY C C 13 174.6 0.3 . 1 . . . . . 8 GLY C . 18620 1 78 . 1 . 1 8 8 GLY CA C 13 44.4 0.3 . 1 . . . . . 8 GLY CA . 18620 1 79 . 1 . 1 8 8 GLY N N 15 109.2 0.3 . 1 . . . . . 8 GLY N . 18620 1 80 . 1 . 1 9 9 TRP H H 1 8.38 0.02 . 1 . . . . . 9 TRP H . 18620 1 81 . 1 . 1 9 9 TRP HA H 1 3.97 0.02 . 1 . . . . . 9 TRP HA . 18620 1 82 . 1 . 1 9 9 TRP HB2 H 1 3.88 0.02 . 2 . . . . . 9 TRP HB2 . 18620 1 83 . 1 . 1 9 9 TRP HB3 H 1 2.91 0.02 . 2 . . . . . 9 TRP HB3 . 18620 1 84 . 1 . 1 9 9 TRP HD1 H 1 6.47 0.02 . 1 . . . . . 9 TRP HD1 . 18620 1 85 . 1 . 1 9 9 TRP HE1 H 1 9.93 0.02 . 1 . . . . . 9 TRP HE1 . 18620 1 86 . 1 . 1 9 9 TRP HE3 H 1 7.61 0.02 . 1 . . . . . 9 TRP HE3 . 18620 1 87 . 1 . 1 9 9 TRP HZ2 H 1 6.87 0.02 . 1 . . . . . 9 TRP HZ2 . 18620 1 88 . 1 . 1 9 9 TRP HZ3 H 1 6.17 0.02 . 1 . . . . . 9 TRP HZ3 . 18620 1 89 . 1 . 1 9 9 TRP HH2 H 1 5.83 0.02 . 1 . . . . . 9 TRP HH2 . 18620 1 90 . 1 . 1 9 9 TRP C C 13 174.7 0.3 . 1 . . . . . 9 TRP C . 18620 1 91 . 1 . 1 9 9 TRP CA C 13 57.5 0.3 . 1 . . . . . 9 TRP CA . 18620 1 92 . 1 . 1 9 9 TRP CB C 13 27.9 0.3 . 1 . . . . . 9 TRP CB . 18620 1 93 . 1 . 1 9 9 TRP CD1 C 13 124.8 0.3 . 1 . . . . . 9 TRP CD1 . 18620 1 94 . 1 . 1 9 9 TRP CE3 C 13 132.5 0.3 . 1 . . . . . 9 TRP CE3 . 18620 1 95 . 1 . 1 9 9 TRP CZ2 C 13 114.4 0.3 . 1 . . . . . 9 TRP CZ2 . 18620 1 96 . 1 . 1 9 9 TRP CZ3 C 13 132.0 0.3 . 1 . . . . . 9 TRP CZ3 . 18620 1 97 . 1 . 1 9 9 TRP CH2 C 13 123.8 0.3 . 1 . . . . . 9 TRP CH2 . 18620 1 98 . 1 . 1 9 9 TRP N N 15 123.5 0.3 . 1 . . . . . 9 TRP N . 18620 1 99 . 1 . 1 9 9 TRP NE1 N 15 131.4 0.3 . 1 . . . . . 9 TRP NE1 . 18620 1 100 . 1 . 1 10 10 PRO HA H 1 4.66 0.02 . 1 . . . . . 10 PRO HA . 18620 1 101 . 1 . 1 10 10 PRO HB2 H 1 2.44 0.02 . 2 . . . . . 10 PRO HB2 . 18620 1 102 . 1 . 1 10 10 PRO HB3 H 1 2.24 0.02 . 2 . . . . . 10 PRO HB3 . 18620 1 103 . 1 . 1 10 10 PRO HG2 H 1 2.11 0.02 . 2 . . . . . 10 PRO HG2 . 18620 1 104 . 1 . 1 10 10 PRO HG3 H 1 2.07 0.02 . 2 . . . . . 10 PRO HG3 . 18620 1 105 . 1 . 1 10 10 PRO HD2 H 1 3.81 0.02 . 2 . . . . . 10 PRO HD2 . 18620 1 106 . 1 . 1 10 10 PRO HD3 H 1 3.52 0.02 . 2 . . . . . 10 PRO HD3 . 18620 1 107 . 1 . 1 10 10 PRO C C 13 178.9 0.3 . 1 . . . . . 10 PRO C . 18620 1 108 . 1 . 1 10 10 PRO CA C 13 62.7 0.3 . 1 . . . . . 10 PRO CA . 18620 1 109 . 1 . 1 10 10 PRO CB C 13 33.0 0.3 . 1 . . . . . 10 PRO CB . 18620 1 110 . 1 . 1 10 10 PRO CG C 13 27.4 0.3 . 1 . . . . . 10 PRO CG . 18620 1 111 . 1 . 1 10 10 PRO CD C 13 50.4 0.3 . 1 . . . . . 10 PRO CD . 18620 1 112 . 1 . 1 11 11 GLU H H 1 9.42 0.02 . 1 . . . . . 11 GLU H . 18620 1 113 . 1 . 1 11 11 GLU HA H 1 4.28 0.02 . 1 . . . . . 11 GLU HA . 18620 1 114 . 1 . 1 11 11 GLU HB2 H 1 2.46 0.02 . 2 . . . . . 11 GLU HB2 . 18620 1 115 . 1 . 1 11 11 GLU HB3 H 1 2.22 0.02 . 2 . . . . . 11 GLU HB3 . 18620 1 116 . 1 . 1 11 11 GLU C C 13 175.6 0.3 . 1 . . . . . 11 GLU C . 18620 1 117 . 1 . 1 11 11 GLU CA C 13 60.1 0.3 . 1 . . . . . 11 GLU CA . 18620 1 118 . 1 . 1 11 11 GLU CB C 13 29.7 0.3 . 1 . . . . . 11 GLU CB . 18620 1 119 . 1 . 1 11 11 GLU CG C 13 36.3 0.3 . 1 . . . . . 11 GLU CG . 18620 1 120 . 1 . 1 11 11 GLU N N 15 121.6 0.3 . 1 . . . . . 11 GLU N . 18620 1 121 . 1 . 1 12 12 ASP H H 1 8.34 0.02 . 1 . . . . . 12 ASP H . 18620 1 122 . 1 . 1 12 12 ASP HA H 1 4.65 0.02 . 1 . . . . . 12 ASP HA . 18620 1 123 . 1 . 1 12 12 ASP HB2 H 1 2.98 0.02 . 2 . . . . . 12 ASP HB2 . 18620 1 124 . 1 . 1 12 12 ASP HB3 H 1 2.61 0.02 . 2 . . . . . 12 ASP HB3 . 18620 1 125 . 1 . 1 12 12 ASP C C 13 176.1 0.3 . 1 . . . . . 12 ASP C . 18620 1 126 . 1 . 1 12 12 ASP CA C 13 52.9 0.3 . 1 . . . . . 12 ASP CA . 18620 1 127 . 1 . 1 12 12 ASP CB C 13 39.3 0.3 . 1 . . . . . 12 ASP CB . 18620 1 128 . 1 . 1 12 12 ASP N N 15 116.2 0.3 . 1 . . . . . 12 ASP N . 18620 1 129 . 1 . 1 13 13 THR H H 1 7.35 0.02 . 1 . . . . . 13 THR H . 18620 1 130 . 1 . 1 13 13 THR HA H 1 3.71 0.02 . 1 . . . . . 13 THR HA . 18620 1 131 . 1 . 1 13 13 THR HB H 1 3.59 0.02 . 1 . . . . . 13 THR HB . 18620 1 132 . 1 . 1 13 13 THR HG21 H 1 0.73 0.02 . 1 . . . . . 13 THR HG2 . 18620 1 133 . 1 . 1 13 13 THR HG22 H 1 0.73 0.02 . 1 . . . . . 13 THR HG2 . 18620 1 134 . 1 . 1 13 13 THR HG23 H 1 0.73 0.02 . 1 . . . . . 13 THR HG2 . 18620 1 135 . 1 . 1 13 13 THR C C 13 172.1 0.3 . 1 . . . . . 13 THR C . 18620 1 136 . 1 . 1 13 13 THR CA C 13 66.8 0.3 . 1 . . . . . 13 THR CA . 18620 1 137 . 1 . 1 13 13 THR CB C 13 69.0 0.3 . 1 . . . . . 13 THR CB . 18620 1 138 . 1 . 1 13 13 THR CG2 C 13 22.1 0.3 . 1 . . . . . 13 THR CG2 . 18620 1 139 . 1 . 1 13 13 THR N N 15 117.2 0.3 . 1 . . . . . 13 THR N . 18620 1 140 . 1 . 1 14 14 THR H H 1 6.40 0.02 . 1 . . . . . 14 THR H . 18620 1 141 . 1 . 1 14 14 THR HA H 1 4.47 0.02 . 1 . . . . . 14 THR HA . 18620 1 142 . 1 . 1 14 14 THR HB H 1 4.60 0.02 . 1 . . . . . 14 THR HB . 18620 1 143 . 1 . 1 14 14 THR HG21 H 1 1.21 0.02 . 1 . . . . . 14 THR HG2 . 18620 1 144 . 1 . 1 14 14 THR HG22 H 1 1.21 0.02 . 1 . . . . . 14 THR HG2 . 18620 1 145 . 1 . 1 14 14 THR HG23 H 1 1.21 0.02 . 1 . . . . . 14 THR HG2 . 18620 1 146 . 1 . 1 14 14 THR C C 13 174.8 0.3 . 1 . . . . . 14 THR C . 18620 1 147 . 1 . 1 14 14 THR CA C 13 58.1 0.3 . 1 . . . . . 14 THR CA . 18620 1 148 . 1 . 1 14 14 THR CB C 13 72.8 0.3 . 1 . . . . . 14 THR CB . 18620 1 149 . 1 . 1 14 14 THR CG2 C 13 21.6 0.3 . 1 . . . . . 14 THR CG2 . 18620 1 150 . 1 . 1 14 14 THR N N 15 113.9 0.3 . 1 . . . . . 14 THR N . 18620 1 151 . 1 . 1 15 15 ILE H H 1 8.83 0.02 . 1 . . . . . 15 ILE H . 18620 1 152 . 1 . 1 15 15 ILE HA H 1 3.18 0.02 . 1 . . . . . 15 ILE HA . 18620 1 153 . 1 . 1 15 15 ILE HB H 1 1.65 0.02 . 1 . . . . . 15 ILE HB . 18620 1 154 . 1 . 1 15 15 ILE HG12 H 1 1.53 0.02 . 2 . . . . . 15 ILE HG12 . 18620 1 155 . 1 . 1 15 15 ILE HG13 H 1 0.88 0.02 . 2 . . . . . 15 ILE HG13 . 18620 1 156 . 1 . 1 15 15 ILE HG21 H 1 0.75 0.02 . 1 . . . . . 15 ILE HG2 . 18620 1 157 . 1 . 1 15 15 ILE HG22 H 1 0.75 0.02 . 1 . . . . . 15 ILE HG2 . 18620 1 158 . 1 . 1 15 15 ILE HG23 H 1 0.75 0.02 . 1 . . . . . 15 ILE HG2 . 18620 1 159 . 1 . 1 15 15 ILE HD11 H 1 0.89 0.02 . 1 . . . . . 15 ILE HD1 . 18620 1 160 . 1 . 1 15 15 ILE HD12 H 1 0.89 0.02 . 1 . . . . . 15 ILE HD1 . 18620 1 161 . 1 . 1 15 15 ILE HD13 H 1 0.89 0.02 . 1 . . . . . 15 ILE HD1 . 18620 1 162 . 1 . 1 15 15 ILE C C 13 177.4 0.3 . 1 . . . . . 15 ILE C . 18620 1 163 . 1 . 1 15 15 ILE CA C 13 66.4 0.3 . 1 . . . . . 15 ILE CA . 18620 1 164 . 1 . 1 15 15 ILE CB C 13 37.8 0.3 . 1 . . . . . 15 ILE CB . 18620 1 165 . 1 . 1 15 15 ILE CG1 C 13 28.7 0.3 . 1 . . . . . 15 ILE CG1 . 18620 1 166 . 1 . 1 15 15 ILE CG2 C 13 16.7 0.3 . 1 . . . . . 15 ILE CG2 . 18620 1 167 . 1 . 1 15 15 ILE CD1 C 13 13.4 0.3 . 1 . . . . . 15 ILE CD1 . 18620 1 168 . 1 . 1 15 15 ILE N N 15 120.0 0.3 . 1 . . . . . 15 ILE N . 18620 1 169 . 1 . 1 16 16 GLU H H 1 8.75 0.02 . 1 . . . . . 16 GLU H . 18620 1 170 . 1 . 1 16 16 GLU HA H 1 4.04 0.02 . 1 . . . . . 16 GLU HA . 18620 1 171 . 1 . 1 16 16 GLU HB2 H 1 1.93 0.02 . 2 . . . . . 16 GLU HB2 . 18620 1 172 . 1 . 1 16 16 GLU HB3 H 1 2.03 0.02 . 2 . . . . . 16 GLU HB3 . 18620 1 173 . 1 . 1 16 16 GLU HG2 H 1 2.46 0.02 . 2 . . . . . 16 GLU HG2 . 18620 1 174 . 1 . 1 16 16 GLU HG3 H 1 2.24 0.02 . 2 . . . . . 16 GLU HG3 . 18620 1 175 . 1 . 1 16 16 GLU C C 13 179.2 0.3 . 1 . . . . . 16 GLU C . 18620 1 176 . 1 . 1 16 16 GLU CA C 13 60.7 0.3 . 1 . . . . . 16 GLU CA . 18620 1 177 . 1 . 1 16 16 GLU CB C 13 28.5 0.3 . 1 . . . . . 16 GLU CB . 18620 1 178 . 1 . 1 16 16 GLU CG C 13 37.3 0.3 . 1 . . . . . 16 GLU CG . 18620 1 179 . 1 . 1 16 16 GLU N N 15 119.2 0.3 . 1 . . . . . 16 GLU N . 18620 1 180 . 1 . 1 17 17 LYS H H 1 7.68 0.02 . 1 . . . . . 17 LYS H . 18620 1 181 . 1 . 1 17 17 LYS HA H 1 4.15 0.02 . 1 . . . . . 17 LYS HA . 18620 1 182 . 1 . 1 17 17 LYS HB2 H 1 2.06 0.02 . 2 . . . . . 17 LYS HB2 . 18620 1 183 . 1 . 1 17 17 LYS HB3 H 1 1.93 0.02 . 2 . . . . . 17 LYS HB3 . 18620 1 184 . 1 . 1 17 17 LYS HG2 H 1 1.67 0.02 . 2 . . . . . 17 LYS HG2 . 18620 1 185 . 1 . 1 17 17 LYS HG3 H 1 1.59 0.02 . 2 . . . . . 17 LYS HG3 . 18620 1 186 . 1 . 1 17 17 LYS HD2 H 1 1.88 0.02 . 2 . . . . . 17 LYS HD2 . 18620 1 187 . 1 . 1 17 17 LYS HD3 H 1 1.84 0.02 . 2 . . . . . 17 LYS HD3 . 18620 1 188 . 1 . 1 17 17 LYS C C 13 179.8 0.3 . 1 . . . . . 17 LYS C . 18620 1 189 . 1 . 1 17 17 LYS CA C 13 59.3 0.3 . 1 . . . . . 17 LYS CA . 18620 1 190 . 1 . 1 17 17 LYS CB C 13 33.2 0.3 . 1 . . . . . 17 LYS CB . 18620 1 191 . 1 . 1 17 17 LYS CG C 13 25.8 0.3 . 1 . . . . . 17 LYS CG . 18620 1 192 . 1 . 1 17 17 LYS CD C 13 29.6 0.3 . 1 . . . . . 17 LYS CD . 18620 1 193 . 1 . 1 17 17 LYS CE C 13 42.1 0.3 . 1 . . . . . 17 LYS CE . 18620 1 194 . 1 . 1 17 17 LYS N N 15 119.5 0.3 . 1 . . . . . 17 LYS N . 18620 1 195 . 1 . 1 18 18 VAL H H 1 7.63 0.02 . 1 . . . . . 18 VAL H . 18620 1 196 . 1 . 1 18 18 VAL HA H 1 3.35 0.02 . 1 . . . . . 18 VAL HA . 18620 1 197 . 1 . 1 18 18 VAL HB H 1 1.82 0.02 . 1 . . . . . 18 VAL HB . 18620 1 198 . 1 . 1 18 18 VAL HG11 H 1 0.42 0.02 . 1 . . . . . 18 VAL HG1 . 18620 1 199 . 1 . 1 18 18 VAL HG12 H 1 0.42 0.02 . 1 . . . . . 18 VAL HG1 . 18620 1 200 . 1 . 1 18 18 VAL HG13 H 1 0.42 0.02 . 1 . . . . . 18 VAL HG1 . 18620 1 201 . 1 . 1 18 18 VAL HG21 H 1 -0.30 0.02 . 1 . . . . . 18 VAL HG2 . 18620 1 202 . 1 . 1 18 18 VAL HG22 H 1 -0.30 0.02 . 1 . . . . . 18 VAL HG2 . 18620 1 203 . 1 . 1 18 18 VAL HG23 H 1 -0.30 0.02 . 1 . . . . . 18 VAL HG2 . 18620 1 204 . 1 . 1 18 18 VAL C C 13 177.7 0.3 . 1 . . . . . 18 VAL C . 18620 1 205 . 1 . 1 18 18 VAL CA C 13 67.1 0.3 . 1 . . . . . 18 VAL CA . 18620 1 206 . 1 . 1 18 18 VAL CB C 13 31.2 0.3 . 1 . . . . . 18 VAL CB . 18620 1 207 . 1 . 1 18 18 VAL CG1 C 13 21.9 0.3 . 1 . . . . . 18 VAL CG1 . 18620 1 208 . 1 . 1 18 18 VAL N N 15 121.7 0.3 . 1 . . . . . 18 VAL N . 18620 1 209 . 1 . 1 19 19 GLN H H 1 8.31 0.02 . 1 . . . . . 19 GLN H . 18620 1 210 . 1 . 1 19 19 GLN HA H 1 4.02 0.02 . 1 . . . . . 19 GLN HA . 18620 1 211 . 1 . 1 19 19 GLN HB2 H 1 2.12 0.02 . 2 . . . . . 19 GLN HB2 . 18620 1 212 . 1 . 1 19 19 GLN HB3 H 1 2.32 0.02 . 2 . . . . . 19 GLN HB3 . 18620 1 213 . 1 . 1 19 19 GLN HG2 H 1 2.45 0.02 . 2 . . . . . 19 GLN HG2 . 18620 1 214 . 1 . 1 19 19 GLN HG3 H 1 2.20 0.02 . 2 . . . . . 19 GLN HG3 . 18620 1 215 . 1 . 1 19 19 GLN HE21 H 1 7.61 0.02 . 1 . . . . . 19 GLN HE21 . 18620 1 216 . 1 . 1 19 19 GLN HE22 H 1 6.92 0.02 . 1 . . . . . 19 GLN HE22 . 18620 1 217 . 1 . 1 19 19 GLN C C 13 179.8 0.3 . 1 . . . . . 19 GLN C . 18620 1 218 . 1 . 1 19 19 GLN CA C 13 59.5 0.3 . 1 . . . . . 19 GLN CA . 18620 1 219 . 1 . 1 19 19 GLN CB C 13 28.4 0.3 . 1 . . . . . 19 GLN CB . 18620 1 220 . 1 . 1 19 19 GLN CG C 13 34.0 0.3 . 1 . . . . . 19 GLN CG . 18620 1 221 . 1 . 1 19 19 GLN N N 15 118.0 0.3 . 1 . . . . . 19 GLN N . 18620 1 222 . 1 . 1 19 19 GLN NE2 N 15 111.8 0.3 . 1 . . . . . 19 GLN NE2 . 18620 1 223 . 1 . 1 20 20 GLU H H 1 8.50 0.02 . 1 . . . . . 20 GLU H . 18620 1 224 . 1 . 1 20 20 GLU HA H 1 4.16 0.02 . 1 . . . . . 20 GLU HA . 18620 1 225 . 1 . 1 20 20 GLU HB2 H 1 2.21 0.02 . 2 . . . . . 20 GLU HB2 . 18620 1 226 . 1 . 1 20 20 GLU HB3 H 1 2.15 0.02 . 2 . . . . . 20 GLU HB3 . 18620 1 227 . 1 . 1 20 20 GLU HG2 H 1 2.46 0.02 . 2 . . . . . 20 GLU HG2 . 18620 1 228 . 1 . 1 20 20 GLU HG3 H 1 2.34 0.02 . 2 . . . . . 20 GLU HG3 . 18620 1 229 . 1 . 1 20 20 GLU C C 13 178.6 0.3 . 1 . . . . . 20 GLU C . 18620 1 230 . 1 . 1 20 20 GLU CA C 13 59.2 0.3 . 1 . . . . . 20 GLU CA . 18620 1 231 . 1 . 1 20 20 GLU CB C 13 29.6 0.3 . 1 . . . . . 20 GLU CB . 18620 1 232 . 1 . 1 20 20 GLU CG C 13 36.1 0.3 . 1 . . . . . 20 GLU CG . 18620 1 233 . 1 . 1 20 20 GLU N N 15 119.7 0.3 . 1 . . . . . 20 GLU N . 18620 1 234 . 1 . 1 21 21 PHE H H 1 8.38 0.02 . 1 . . . . . 21 PHE H . 18620 1 235 . 1 . 1 21 21 PHE HA H 1 4.33 0.02 . 1 . . . . . 21 PHE HA . 18620 1 236 . 1 . 1 21 21 PHE HB2 H 1 3.25 0.02 . 2 . . . . . 21 PHE HB2 . 18620 1 237 . 1 . 1 21 21 PHE HB3 H 1 3.40 0.02 . 2 . . . . . 21 PHE HB3 . 18620 1 238 . 1 . 1 21 21 PHE C C 13 179.0 0.3 . 1 . . . . . 21 PHE C . 18620 1 239 . 1 . 1 21 21 PHE CA C 13 62.0 0.3 . 1 . . . . . 21 PHE CA . 18620 1 240 . 1 . 1 21 21 PHE CB C 13 39.4 0.3 . 1 . . . . . 21 PHE CB . 18620 1 241 . 1 . 1 21 21 PHE CD1 C 13 117.3 0.3 . 1 . . . . . 21 PHE CD1 . 18620 1 242 . 1 . 1 21 21 PHE CE1 C 13 128.0 0.3 . 1 . . . . . 21 PHE CE1 . 18620 1 243 . 1 . 1 21 21 PHE N N 15 121.5 0.3 . 1 . . . . . 21 PHE N . 18620 1 244 . 1 . 1 22 22 PHE H H 1 8.20 0.02 . 1 . . . . . 22 PHE H . 18620 1 245 . 1 . 1 22 22 PHE HA H 1 4.45 0.02 . 1 . . . . . 22 PHE HA . 18620 1 246 . 1 . 1 22 22 PHE HB2 H 1 3.70 0.02 . 2 . . . . . 22 PHE HB2 . 18620 1 247 . 1 . 1 22 22 PHE HB3 H 1 3.08 0.02 . 2 . . . . . 22 PHE HB3 . 18620 1 248 . 1 . 1 22 22 PHE C C 13 177.1 0.3 . 1 . . . . . 22 PHE C . 18620 1 249 . 1 . 1 22 22 PHE CA C 13 63.4 0.3 . 1 . . . . . 22 PHE CA . 18620 1 250 . 1 . 1 22 22 PHE CB C 13 38.8 0.3 . 1 . . . . . 22 PHE CB . 18620 1 251 . 1 . 1 22 22 PHE CD1 C 13 131.4 0.3 . 1 . . . . . 22 PHE CD1 . 18620 1 252 . 1 . 1 22 22 PHE CE1 C 13 128.9 0.3 . 1 . . . . . 22 PHE CE1 . 18620 1 253 . 1 . 1 22 22 PHE N N 15 116.7 0.3 . 1 . . . . . 22 PHE N . 18620 1 254 . 1 . 1 23 23 ASN H H 1 7.95 0.02 . 1 . . . . . 23 ASN H . 18620 1 255 . 1 . 1 23 23 ASN HA H 1 4.50 0.02 . 1 . . . . . 23 ASN HA . 18620 1 256 . 1 . 1 23 23 ASN HD21 H 1 6.90 0.02 . 1 . . . . . 23 ASN HD21 . 18620 1 257 . 1 . 1 23 23 ASN HD22 H 1 7.60 0.02 . 1 . . . . . 23 ASN HD22 . 18620 1 258 . 1 . 1 23 23 ASN C C 13 177.4 0.3 . 1 . . . . . 23 ASN C . 18620 1 259 . 1 . 1 23 23 ASN CA C 13 56.7 0.3 . 1 . . . . . 23 ASN CA . 18620 1 260 . 1 . 1 23 23 ASN CB C 13 39.3 0.3 . 1 . . . . . 23 ASN CB . 18620 1 261 . 1 . 1 23 23 ASN N N 15 117.9 0.3 . 1 . . . . . 23 ASN N . 18620 1 262 . 1 . 1 23 23 ASN ND2 N 15 113.0 0.3 . 1 . . . . . 23 ASN ND2 . 18620 1 263 . 1 . 1 24 24 ALA H H 1 8.21 0.02 . 1 . . . . . 24 ALA H . 18620 1 264 . 1 . 1 24 24 ALA HA H 1 4.17 0.02 . 1 . . . . . 24 ALA HA . 18620 1 265 . 1 . 1 24 24 ALA HB1 H 1 1.44 0.02 . 1 . . . . . 24 ALA HB . 18620 1 266 . 1 . 1 24 24 ALA HB2 H 1 1.44 0.02 . 1 . . . . . 24 ALA HB . 18620 1 267 . 1 . 1 24 24 ALA HB3 H 1 1.44 0.02 . 1 . . . . . 24 ALA HB . 18620 1 268 . 1 . 1 24 24 ALA C C 13 177.8 0.3 . 1 . . . . . 24 ALA C . 18620 1 269 . 1 . 1 24 24 ALA CA C 13 54.0 0.3 . 1 . . . . . 24 ALA CA . 18620 1 270 . 1 . 1 24 24 ALA CB C 13 18.7 0.3 . 1 . . . . . 24 ALA CB . 18620 1 271 . 1 . 1 24 24 ALA N N 15 120.5 0.3 . 1 . . . . . 24 ALA N . 18620 1 272 . 1 . 1 25 25 ASN H H 1 7.44 0.02 . 1 . . . . . 25 ASN H . 18620 1 273 . 1 . 1 25 25 ASN HA H 1 4.79 0.02 . 1 . . . . . 25 ASN HA . 18620 1 274 . 1 . 1 25 25 ASN HB2 H 1 2.28 0.02 . 2 . . . . . 25 ASN HB2 . 18620 1 275 . 1 . 1 25 25 ASN HB3 H 1 2.03 0.02 . 2 . . . . . 25 ASN HB3 . 18620 1 276 . 1 . 1 25 25 ASN HD21 H 1 6.41 0.02 . 1 . . . . . 25 ASN HD21 . 18620 1 277 . 1 . 1 25 25 ASN HD22 H 1 6.85 0.02 . 1 . . . . . 25 ASN HD22 . 18620 1 278 . 1 . 1 25 25 ASN C C 13 173.7 0.3 . 1 . . . . . 25 ASN C . 18620 1 279 . 1 . 1 25 25 ASN CA C 13 52.3 0.3 . 1 . . . . . 25 ASN CA . 18620 1 280 . 1 . 1 25 25 ASN CB C 13 38.3 0.3 . 1 . . . . . 25 ASN CB . 18620 1 281 . 1 . 1 25 25 ASN N N 15 117.5 0.3 . 1 . . . . . 25 ASN N . 18620 1 282 . 1 . 1 25 25 ASN ND2 N 15 118.4 0.3 . 1 . . . . . 25 ASN ND2 . 18620 1 283 . 1 . 1 26 26 GLY H H 1 7.38 0.02 . 1 . . . . . 26 GLY H . 18620 1 284 . 1 . 1 26 26 GLY HA2 H 1 3.29 0.02 . 2 . . . . . 26 GLY HA2 . 18620 1 285 . 1 . 1 26 26 GLY HA3 H 1 4.29 0.02 . 2 . . . . . 26 GLY HA3 . 18620 1 286 . 1 . 1 26 26 GLY C C 13 174.7 0.3 . 1 . . . . . 26 GLY C . 18620 1 287 . 1 . 1 26 26 GLY CA C 13 44.5 0.3 . 1 . . . . . 26 GLY CA . 18620 1 288 . 1 . 1 26 26 GLY N N 15 104.5 0.3 . 1 . . . . . 26 GLY N . 18620 1 289 . 1 . 1 27 27 GLY H H 1 7.54 0.02 . 1 . . . . . 27 GLY H . 18620 1 290 . 1 . 1 27 27 GLY HA2 H 1 4.10 0.02 . 2 . . . . . 27 GLY HA2 . 18620 1 291 . 1 . 1 27 27 GLY HA3 H 1 3.80 0.02 . 2 . . . . . 27 GLY HA3 . 18620 1 292 . 1 . 1 27 27 GLY C C 13 174.2 0.3 . 1 . . . . . 27 GLY C . 18620 1 293 . 1 . 1 27 27 GLY CA C 13 46.3 0.3 . 1 . . . . . 27 GLY CA . 18620 1 294 . 1 . 1 27 27 GLY N N 15 109.1 0.3 . 1 . . . . . 27 GLY N . 18620 1 295 . 1 . 1 28 28 TYR H H 1 7.17 0.02 . 1 . . . . . 28 TYR H . 18620 1 296 . 1 . 1 28 28 TYR HA H 1 4.60 0.02 . 1 . . . . . 28 TYR HA . 18620 1 297 . 1 . 1 28 28 TYR HB2 H 1 2.73 0.02 . 2 . . . . . 28 TYR HB2 . 18620 1 298 . 1 . 1 28 28 TYR HB3 H 1 3.17 0.02 . 2 . . . . . 28 TYR HB3 . 18620 1 299 . 1 . 1 28 28 TYR C C 13 175.4 0.3 . 1 . . . . . 28 TYR C . 18620 1 300 . 1 . 1 28 28 TYR CA C 13 56.4 0.3 . 1 . . . . . 28 TYR CA . 18620 1 301 . 1 . 1 28 28 TYR CB C 13 39.8 0.3 . 1 . . . . . 28 TYR CB . 18620 1 302 . 1 . 1 28 28 TYR CD1 C 13 118.4 0.3 . 1 . . . . . 28 TYR CD1 . 18620 1 303 . 1 . 1 28 28 TYR CE1 C 13 132.8 0.3 . 1 . . . . . 28 TYR CE1 . 18620 1 304 . 1 . 1 28 28 TYR N N 15 120.5 0.3 . 1 . . . . . 28 TYR N . 18620 1 305 . 1 . 1 29 29 LYS H H 1 8.90 0.02 . 1 . . . . . 29 LYS H . 18620 1 306 . 1 . 1 29 29 LYS HA H 1 4.29 0.02 . 1 . . . . . 29 LYS HA . 18620 1 307 . 1 . 1 29 29 LYS HB2 H 1 1.82 0.02 . 2 . . . . . 29 LYS HB2 . 18620 1 308 . 1 . 1 29 29 LYS HB3 H 1 1.77 0.02 . 2 . . . . . 29 LYS HB3 . 18620 1 309 . 1 . 1 29 29 LYS HG2 H 1 1.37 0.02 . 2 . . . . . 29 LYS HG2 . 18620 1 310 . 1 . 1 29 29 LYS HG3 H 1 1.21 0.02 . 2 . . . . . 29 LYS HG3 . 18620 1 311 . 1 . 1 29 29 LYS C C 13 175.4 0.3 . 1 . . . . . 29 LYS C . 18620 1 312 . 1 . 1 29 29 LYS CA C 13 55.4 0.3 . 1 . . . . . 29 LYS CA . 18620 1 313 . 1 . 1 29 29 LYS CB C 13 32.9 0.3 . 1 . . . . . 29 LYS CB . 18620 1 314 . 1 . 1 29 29 LYS CG C 13 24.6 0.3 . 1 . . . . . 29 LYS CG . 18620 1 315 . 1 . 1 29 29 LYS CD C 13 29.1 0.3 . 1 . . . . . 29 LYS CD . 18620 1 316 . 1 . 1 29 29 LYS CE C 13 42.2 0.3 . 1 . . . . . 29 LYS CE . 18620 1 317 . 1 . 1 29 29 LYS N N 15 124.1 0.3 . 1 . . . . . 29 LYS N . 18620 1 318 . 1 . 1 30 30 VAL H H 1 8.30 0.02 . 1 . . . . . 30 VAL H . 18620 1 319 . 1 . 1 30 30 VAL HA H 1 3.45 0.02 . 1 . . . . . 30 VAL HA . 18620 1 320 . 1 . 1 30 30 VAL HB H 1 1.69 0.02 . 1 . . . . . 30 VAL HB . 18620 1 321 . 1 . 1 30 30 VAL HG11 H 1 0.51 0.02 . 1 . . . . . 30 VAL HG1 . 18620 1 322 . 1 . 1 30 30 VAL HG12 H 1 0.51 0.02 . 1 . . . . . 30 VAL HG1 . 18620 1 323 . 1 . 1 30 30 VAL HG13 H 1 0.51 0.02 . 1 . . . . . 30 VAL HG1 . 18620 1 324 . 1 . 1 30 30 VAL HG21 H 1 0.74 0.02 . 1 . . . . . 30 VAL HG2 . 18620 1 325 . 1 . 1 30 30 VAL HG22 H 1 0.74 0.02 . 1 . . . . . 30 VAL HG2 . 18620 1 326 . 1 . 1 30 30 VAL HG23 H 1 0.74 0.02 . 1 . . . . . 30 VAL HG2 . 18620 1 327 . 1 . 1 30 30 VAL C C 13 175.6 0.3 . 1 . . . . . 30 VAL C . 18620 1 328 . 1 . 1 30 30 VAL CA C 13 61.5 0.3 . 1 . . . . . 30 VAL CA . 18620 1 329 . 1 . 1 30 30 VAL CB C 13 32.1 0.3 . 1 . . . . . 30 VAL CB . 18620 1 330 . 1 . 1 30 30 VAL CG1 C 13 22.4 0.3 . 1 . . . . . 30 VAL CG1 . 18620 1 331 . 1 . 1 30 30 VAL CG2 C 13 23.1 0.3 . 1 . . . . . 30 VAL CG2 . 18620 1 332 . 1 . 1 30 30 VAL N N 15 126.7 0.3 . 1 . . . . . 30 VAL N . 18620 1 333 . 1 . 1 31 31 VAL H H 1 8.56 0.02 . 1 . . . . . 31 VAL H . 18620 1 334 . 1 . 1 31 31 VAL HA H 1 3.68 0.02 . 1 . . . . . 31 VAL HA . 18620 1 335 . 1 . 1 31 31 VAL HB H 1 1.57 0.02 . 1 . . . . . 31 VAL HB . 18620 1 336 . 1 . 1 31 31 VAL HG11 H 1 0.75 0.02 . 1 . . . . . 31 VAL HG1 . 18620 1 337 . 1 . 1 31 31 VAL HG12 H 1 0.75 0.02 . 1 . . . . . 31 VAL HG1 . 18620 1 338 . 1 . 1 31 31 VAL HG13 H 1 0.75 0.02 . 1 . . . . . 31 VAL HG1 . 18620 1 339 . 1 . 1 31 31 VAL HG21 H 1 0.84 0.02 . 1 . . . . . 31 VAL HG2 . 18620 1 340 . 1 . 1 31 31 VAL HG22 H 1 0.84 0.02 . 1 . . . . . 31 VAL HG2 . 18620 1 341 . 1 . 1 31 31 VAL HG23 H 1 0.84 0.02 . 1 . . . . . 31 VAL HG2 . 18620 1 342 . 1 . 1 31 31 VAL C C 13 176.3 0.3 . 1 . . . . . 31 VAL C . 18620 1 343 . 1 . 1 31 31 VAL CA C 13 64.5 0.3 . 1 . . . . . 31 VAL CA . 18620 1 344 . 1 . 1 31 31 VAL CB C 13 32.1 0.3 . 1 . . . . . 31 VAL CB . 18620 1 345 . 1 . 1 31 31 VAL CG1 C 13 20.6 0.3 . 1 . . . . . 31 VAL CG1 . 18620 1 346 . 1 . 1 31 31 VAL CG2 C 13 21.0 0.3 . 1 . . . . . 31 VAL CG2 . 18620 1 347 . 1 . 1 31 31 VAL N N 15 128.3 0.3 . 1 . . . . . 31 VAL N . 18620 1 348 . 1 . 1 32 32 SER H H 1 7.03 0.02 . 1 . . . . . 32 SER H . 18620 1 349 . 1 . 1 32 32 SER HA H 1 4.44 0.02 . 1 . . . . . 32 SER HA . 18620 1 350 . 1 . 1 32 32 SER HB2 H 1 3.72 0.02 . 2 . . . . . 32 SER HB2 . 18620 1 351 . 1 . 1 32 32 SER HB3 H 1 3.60 0.02 . 2 . . . . . 32 SER HB3 . 18620 1 352 . 1 . 1 32 32 SER C C 13 172.4 0.3 . 1 . . . . . 32 SER C . 18620 1 353 . 1 . 1 32 32 SER CA C 13 57.2 0.3 . 1 . . . . . 32 SER CA . 18620 1 354 . 1 . 1 32 32 SER CB C 13 64.7 0.3 . 1 . . . . . 32 SER CB . 18620 1 355 . 1 . 1 32 32 SER N N 15 110.8 0.3 . 1 . . . . . 32 SER N . 18620 1 356 . 1 . 1 33 33 VAL H H 1 8.40 0.02 . 1 . . . . . 33 VAL H . 18620 1 357 . 1 . 1 33 33 VAL HA H 1 4.46 0.02 . 1 . . . . . 33 VAL HA . 18620 1 358 . 1 . 1 33 33 VAL HB H 1 1.74 0.02 . 1 . . . . . 33 VAL HB . 18620 1 359 . 1 . 1 33 33 VAL HG11 H 1 0.39 0.02 . 1 . . . . . 33 VAL HG1 . 18620 1 360 . 1 . 1 33 33 VAL HG12 H 1 0.39 0.02 . 1 . . . . . 33 VAL HG1 . 18620 1 361 . 1 . 1 33 33 VAL HG13 H 1 0.39 0.02 . 1 . . . . . 33 VAL HG1 . 18620 1 362 . 1 . 1 33 33 VAL HG21 H 1 0.57 0.02 . 1 . . . . . 33 VAL HG2 . 18620 1 363 . 1 . 1 33 33 VAL HG22 H 1 0.57 0.02 . 1 . . . . . 33 VAL HG2 . 18620 1 364 . 1 . 1 33 33 VAL HG23 H 1 0.57 0.02 . 1 . . . . . 33 VAL HG2 . 18620 1 365 . 1 . 1 33 33 VAL C C 13 173.9 0.3 . 1 . . . . . 33 VAL C . 18620 1 366 . 1 . 1 33 33 VAL CA C 13 61.5 0.3 . 1 . . . . . 33 VAL CA . 18620 1 367 . 1 . 1 33 33 VAL CB C 13 34.4 0.3 . 1 . . . . . 33 VAL CB . 18620 1 368 . 1 . 1 33 33 VAL CG1 C 13 21.3 0.3 . 1 . . . . . 33 VAL CG1 . 18620 1 369 . 1 . 1 33 33 VAL CG2 C 13 22.1 0.3 . 1 . . . . . 33 VAL CG2 . 18620 1 370 . 1 . 1 33 33 VAL N N 15 122.2 0.3 . 1 . . . . . 33 VAL N . 18620 1 371 . 1 . 1 34 34 ARG H H 1 9.22 0.02 . 1 . . . . . 34 ARG H . 18620 1 372 . 1 . 1 34 34 ARG HA H 1 4.64 0.02 . 1 . . . . . 34 ARG HA . 18620 1 373 . 1 . 1 34 34 ARG HG2 H 1 1.51 0.02 . 2 . . . . . 34 ARG HG2 . 18620 1 374 . 1 . 1 34 34 ARG HG3 H 1 1.58 0.02 . 2 . . . . . 34 ARG HG3 . 18620 1 375 . 1 . 1 34 34 ARG HD2 H 1 3.18 0.02 . 2 . . . . . 34 ARG HD2 . 18620 1 376 . 1 . 1 34 34 ARG HD3 H 1 3.09 0.02 . 2 . . . . . 34 ARG HD3 . 18620 1 377 . 1 . 1 34 34 ARG C C 13 175.7 0.3 . 1 . . . . . 34 ARG C . 18620 1 378 . 1 . 1 34 34 ARG CA C 13 54.7 0.3 . 1 . . . . . 34 ARG CA . 18620 1 379 . 1 . 1 34 34 ARG CB C 13 31.1 0.3 . 1 . . . . . 34 ARG CB . 18620 1 380 . 1 . 1 34 34 ARG CG C 13 26.4 0.3 . 1 . . . . . 34 ARG CG . 18620 1 381 . 1 . 1 34 34 ARG CD C 13 43.3 0.3 . 1 . . . . . 34 ARG CD . 18620 1 382 . 1 . 1 34 34 ARG N N 15 128.0 0.3 . 1 . . . . . 34 ARG N . 18620 1 383 . 1 . 1 35 35 LEU H H 1 8.83 0.02 . 1 . . . . . 35 LEU H . 18620 1 384 . 1 . 1 35 35 LEU HA H 1 4.44 0.02 . 1 . . . . . 35 LEU HA . 18620 1 385 . 1 . 1 35 35 LEU HB2 H 1 1.57 0.02 . 2 . . . . . 35 LEU HB2 . 18620 1 386 . 1 . 1 35 35 LEU HB3 H 1 1.82 0.02 . 2 . . . . . 35 LEU HB3 . 18620 1 387 . 1 . 1 35 35 LEU HG H 1 0.58 0.02 . 1 . . . . . 35 LEU HG . 18620 1 388 . 1 . 1 35 35 LEU HD11 H 1 0.59 0.02 . 1 . . . . . 35 LEU HD1 . 18620 1 389 . 1 . 1 35 35 LEU HD12 H 1 0.59 0.02 . 1 . . . . . 35 LEU HD1 . 18620 1 390 . 1 . 1 35 35 LEU HD13 H 1 0.59 0.02 . 1 . . . . . 35 LEU HD1 . 18620 1 391 . 1 . 1 35 35 LEU HD21 H 1 0.29 0.02 . 1 . . . . . 35 LEU HD2 . 18620 1 392 . 1 . 1 35 35 LEU HD22 H 1 0.29 0.02 . 1 . . . . . 35 LEU HD2 . 18620 1 393 . 1 . 1 35 35 LEU HD23 H 1 0.29 0.02 . 1 . . . . . 35 LEU HD2 . 18620 1 394 . 1 . 1 35 35 LEU C C 13 177.1 0.3 . 1 . . . . . 35 LEU C . 18620 1 395 . 1 . 1 35 35 LEU CA C 13 55.6 0.3 . 1 . . . . . 35 LEU CA . 18620 1 396 . 1 . 1 35 35 LEU CB C 13 41.3 0.3 . 1 . . . . . 35 LEU CB . 18620 1 397 . 1 . 1 35 35 LEU CG C 13 26.4 0.3 . 1 . . . . . 35 LEU CG . 18620 1 398 . 1 . 1 35 35 LEU CD1 C 13 25.7 0.3 . 1 . . . . . 35 LEU CD1 . 18620 1 399 . 1 . 1 35 35 LEU CD2 C 13 22.3 0.3 . 1 . . . . . 35 LEU CD2 . 18620 1 400 . 1 . 1 35 35 LEU N N 15 124.3 0.3 . 1 . . . . . 35 LEU N . 18620 1 401 . 1 . 1 36 36 ARG H H 1 8.61 0.02 . 1 . . . . . 36 ARG H . 18620 1 402 . 1 . 1 36 36 ARG HA H 1 4.47 0.02 . 1 . . . . . 36 ARG HA . 18620 1 403 . 1 . 1 36 36 ARG HB2 H 1 1.98 0.02 . 2 . . . . . 36 ARG HB2 . 18620 1 404 . 1 . 1 36 36 ARG HB3 H 1 1.85 0.02 . 2 . . . . . 36 ARG HB3 . 18620 1 405 . 1 . 1 36 36 ARG C C 13 175.9 0.3 . 1 . . . . . 36 ARG C . 18620 1 406 . 1 . 1 36 36 ARG CA C 13 57.1 0.3 . 1 . . . . . 36 ARG CA . 18620 1 407 . 1 . 1 36 36 ARG CB C 13 29.2 0.3 . 1 . . . . . 36 ARG CB . 18620 1 408 . 1 . 1 36 36 ARG CG C 13 28.3 0.3 . 1 . . . . . 36 ARG CG . 18620 1 409 . 1 . 1 36 36 ARG CD C 13 42.7 0.3 . 1 . . . . . 36 ARG CD . 18620 1 410 . 1 . 1 36 36 ARG N N 15 123.9 0.3 . 1 . . . . . 36 ARG N . 18620 1 411 . 1 . 1 37 37 LYS H H 1 8.69 0.02 . 1 . . . . . 37 LYS H . 18620 1 412 . 1 . 1 37 37 LYS HA H 1 5.16 0.02 . 1 . . . . . 37 LYS HA . 18620 1 413 . 1 . 1 37 37 LYS HB2 H 1 1.79 0.02 . 2 . . . . . 37 LYS HB2 . 18620 1 414 . 1 . 1 37 37 LYS HB3 H 1 1.74 0.02 . 2 . . . . . 37 LYS HB3 . 18620 1 415 . 1 . 1 37 37 LYS HG2 H 1 1.33 0.02 . 2 . . . . . 37 LYS HG2 . 18620 1 416 . 1 . 1 37 37 LYS HG3 H 1 1.45 0.02 . 2 . . . . . 37 LYS HG3 . 18620 1 417 . 1 . 1 37 37 LYS C C 13 177.3 0.3 . 1 . . . . . 37 LYS C . 18620 1 418 . 1 . 1 37 37 LYS CA C 13 54.9 0.3 . 1 . . . . . 37 LYS CA . 18620 1 419 . 1 . 1 37 37 LYS CB C 13 36.4 0.3 . 1 . . . . . 37 LYS CB . 18620 1 420 . 1 . 1 37 37 LYS CG C 13 25.0 0.3 . 1 . . . . . 37 LYS CG . 18620 1 421 . 1 . 1 37 37 LYS CD C 13 29.3 0.3 . 1 . . . . . 37 LYS CD . 18620 1 422 . 1 . 1 37 37 LYS CE C 13 42.2 0.3 . 1 . . . . . 37 LYS CE . 18620 1 423 . 1 . 1 37 37 LYS N N 15 121.7 0.3 . 1 . . . . . 37 LYS N . 18620 1 424 . 1 . 1 38 38 LYS H H 1 8.85 0.02 . 1 . . . . . 38 LYS H . 18620 1 425 . 1 . 1 38 38 LYS HA H 1 4.86 0.02 . 1 . . . . . 38 LYS HA . 18620 1 426 . 1 . 1 38 38 LYS HB2 H 1 2.08 0.02 . 2 . . . . . 38 LYS HB2 . 18620 1 427 . 1 . 1 38 38 LYS HB3 H 1 1.98 0.02 . 2 . . . . . 38 LYS HB3 . 18620 1 428 . 1 . 1 38 38 LYS HG2 H 1 1.33 0.02 . 2 . . . . . 38 LYS HG2 . 18620 1 429 . 1 . 1 38 38 LYS HG3 H 1 1.39 0.02 . 2 . . . . . 38 LYS HG3 . 18620 1 430 . 1 . 1 38 38 LYS C C 13 178.9 0.3 . 1 . . . . . 38 LYS C . 18620 1 431 . 1 . 1 38 38 LYS CA C 13 56.0 0.3 . 1 . . . . . 38 LYS CA . 18620 1 432 . 1 . 1 38 38 LYS CB C 13 34.1 0.3 . 1 . . . . . 38 LYS CB . 18620 1 433 . 1 . 1 38 38 LYS CG C 13 26.1 0.3 . 1 . . . . . 38 LYS CG . 18620 1 434 . 1 . 1 38 38 LYS CD C 13 29.4 0.3 . 1 . . . . . 38 LYS CD . 18620 1 435 . 1 . 1 38 38 LYS CE C 13 41.9 0.3 . 1 . . . . . 38 LYS CE . 18620 1 436 . 1 . 1 38 38 LYS N N 15 120.2 0.3 . 1 . . . . . 38 LYS N . 18620 1 437 . 1 . 1 39 39 SER HA H 1 4.22 0.02 . 1 . . . . . 39 SER HA . 18620 1 438 . 1 . 1 39 39 SER C C 13 176.2 0.3 . 1 . . . . . 39 SER C . 18620 1 439 . 1 . 1 39 39 SER CA C 13 61.0 0.3 . 1 . . . . . 39 SER CA . 18620 1 440 . 1 . 1 39 39 SER CB C 13 62.8 0.3 . 1 . . . . . 39 SER CB . 18620 1 441 . 1 . 1 40 40 ASP H H 1 8.15 0.02 . 1 . . . . . 40 ASP H . 18620 1 442 . 1 . 1 40 40 ASP HA H 1 4.31 0.02 . 1 . . . . . 40 ASP HA . 18620 1 443 . 1 . 1 40 40 ASP HB2 H 1 2.70 0.02 . 2 . . . . . 40 ASP HB2 . 18620 1 444 . 1 . 1 40 40 ASP HB3 H 1 2.58 0.02 . 2 . . . . . 40 ASP HB3 . 18620 1 445 . 1 . 1 40 40 ASP C C 13 178.0 0.3 . 1 . . . . . 40 ASP C . 18620 1 446 . 1 . 1 40 40 ASP CA C 13 56.4 0.3 . 1 . . . . . 40 ASP CA . 18620 1 447 . 1 . 1 40 40 ASP CB C 13 40.5 0.3 . 1 . . . . . 40 ASP CB . 18620 1 448 . 1 . 1 40 40 ASP N N 15 122.0 0.3 . 1 . . . . . 40 ASP N . 18620 1 449 . 1 . 1 41 41 LYS H H 1 7.72 0.02 . 1 . . . . . 41 LYS H . 18620 1 450 . 1 . 1 41 41 LYS HA H 1 4.02 0.02 . 1 . . . . . 41 LYS HA . 18620 1 451 . 1 . 1 41 41 LYS HB2 H 1 1.94 0.02 . 2 . . . . . 41 LYS HB2 . 18620 1 452 . 1 . 1 41 41 LYS HB3 H 1 2.01 0.02 . 2 . . . . . 41 LYS HB3 . 18620 1 453 . 1 . 1 41 41 LYS CA C 13 58.4 0.3 . 1 . . . . . 41 LYS CA . 18620 1 454 . 1 . 1 41 41 LYS CB C 13 29.6 0.3 . 1 . . . . . 41 LYS CB . 18620 1 455 . 1 . 1 41 41 LYS CG C 13 24.7 0.3 . 1 . . . . . 41 LYS CG . 18620 1 456 . 1 . 1 41 41 LYS CD C 13 28.2 0.3 . 1 . . . . . 41 LYS CD . 18620 1 457 . 1 . 1 41 41 LYS N N 15 119.4 0.3 . 1 . . . . . 41 LYS N . 18620 1 458 . 1 . 1 42 42 SER H H 1 8.33 0.02 . 1 . . . . . 42 SER H . 18620 1 459 . 1 . 1 42 42 SER HA H 1 4.49 0.02 . 1 . . . . . 42 SER HA . 18620 1 460 . 1 . 1 42 42 SER HB2 H 1 3.93 0.02 . 2 . . . . . 42 SER HB2 . 18620 1 461 . 1 . 1 42 42 SER HB3 H 1 3.89 0.02 . 2 . . . . . 42 SER HB3 . 18620 1 462 . 1 . 1 42 42 SER C C 13 174.1 0.3 . 1 . . . . . 42 SER C . 18620 1 463 . 1 . 1 42 42 SER CA C 13 58.5 0.3 . 1 . . . . . 42 SER CA . 18620 1 464 . 1 . 1 42 42 SER CB C 13 64.1 0.3 . 1 . . . . . 42 SER CB . 18620 1 465 . 1 . 1 42 42 SER N N 15 116.1 0.3 . 1 . . . . . 42 SER N . 18620 1 466 . 1 . 1 43 43 PHE H H 1 8.98 0.02 . 1 . . . . . 43 PHE H . 18620 1 467 . 1 . 1 43 43 PHE HA H 1 4.88 0.02 . 1 . . . . . 43 PHE HA . 18620 1 468 . 1 . 1 43 43 PHE HB2 H 1 3.53 0.02 . 2 . . . . . 43 PHE HB2 . 18620 1 469 . 1 . 1 43 43 PHE HB3 H 1 3.22 0.02 . 2 . . . . . 43 PHE HB3 . 18620 1 470 . 1 . 1 43 43 PHE C C 13 176.6 0.3 . 1 . . . . . 43 PHE C . 18620 1 471 . 1 . 1 43 43 PHE CA C 13 57.7 0.3 . 1 . . . . . 43 PHE CA . 18620 1 472 . 1 . 1 43 43 PHE CB C 13 39.6 0.3 . 1 . . . . . 43 PHE CB . 18620 1 473 . 1 . 1 43 43 PHE CD1 C 13 131.4 0.3 . 1 . . . . . 43 PHE CD1 . 18620 1 474 . 1 . 1 43 43 PHE CE1 C 13 129.0 0.3 . 1 . . . . . 43 PHE CE1 . 18620 1 475 . 1 . 1 43 43 PHE N N 15 121.7 0.3 . 1 . . . . . 43 PHE N . 18620 1 476 . 1 . 1 44 44 LYS H H 1 8.60 0.02 . 1 . . . . . 44 LYS H . 18620 1 477 . 1 . 1 44 44 LYS HA H 1 4.97 0.02 . 1 . . . . . 44 LYS HA . 18620 1 478 . 1 . 1 44 44 LYS HB2 H 1 1.66 0.02 . 2 . . . . . 44 LYS HB2 . 18620 1 479 . 1 . 1 44 44 LYS HB3 H 1 1.52 0.02 . 2 . . . . . 44 LYS HB3 . 18620 1 480 . 1 . 1 44 44 LYS HG2 H 1 1.31 0.02 . 2 . . . . . 44 LYS HG2 . 18620 1 481 . 1 . 1 44 44 LYS HG3 H 1 1.43 0.02 . 2 . . . . . 44 LYS HG3 . 18620 1 482 . 1 . 1 44 44 LYS C C 13 176.6 0.3 . 1 . . . . . 44 LYS C . 18620 1 483 . 1 . 1 44 44 LYS CA C 13 56.9 0.3 . 1 . . . . . 44 LYS CA . 18620 1 484 . 1 . 1 44 44 LYS CB C 13 34.5 0.3 . 1 . . . . . 44 LYS CB . 18620 1 485 . 1 . 1 44 44 LYS CG C 13 25.9 0.3 . 1 . . . . . 44 LYS CG . 18620 1 486 . 1 . 1 44 44 LYS CD C 13 29.5 0.3 . 1 . . . . . 44 LYS CD . 18620 1 487 . 1 . 1 44 44 LYS CE C 13 41.9 0.3 . 1 . . . . . 44 LYS CE . 18620 1 488 . 1 . 1 44 44 LYS N N 15 125.8 0.3 . 1 . . . . . 44 LYS N . 18620 1 489 . 1 . 1 45 45 GLY HA2 H 1 4.35 0.02 . 2 . . . . . 45 GLY HA2 . 18620 1 490 . 1 . 1 45 45 GLY HA3 H 1 3.30 0.02 . 2 . . . . . 45 GLY HA3 . 18620 1 491 . 1 . 1 45 45 GLY C C 13 171.6 0.3 . 1 . . . . . 45 GLY C . 18620 1 492 . 1 . 1 45 45 GLY CA C 13 46.2 0.3 . 1 . . . . . 45 GLY CA . 18620 1 493 . 1 . 1 46 46 SER H H 1 6.90 0.02 . 1 . . . . . 46 SER H . 18620 1 494 . 1 . 1 46 46 SER HA H 1 5.54 0.02 . 1 . . . . . 46 SER HA . 18620 1 495 . 1 . 1 46 46 SER HB2 H 1 3.81 0.02 . 2 . . . . . 46 SER HB2 . 18620 1 496 . 1 . 1 46 46 SER HB3 H 1 3.69 0.02 . 2 . . . . . 46 SER HB3 . 18620 1 497 . 1 . 1 46 46 SER C C 13 172.9 0.3 . 1 . . . . . 46 SER C . 18620 1 498 . 1 . 1 46 46 SER CA C 13 54.7 0.3 . 1 . . . . . 46 SER CA . 18620 1 499 . 1 . 1 46 46 SER CB C 13 67.6 0.3 . 1 . . . . . 46 SER CB . 18620 1 500 . 1 . 1 46 46 SER N N 15 113.2 0.3 . 1 . . . . . 46 SER N . 18620 1 501 . 1 . 1 47 47 PHE H H 1 8.16 0.02 . 1 . . . . . 47 PHE H . 18620 1 502 . 1 . 1 47 47 PHE HA H 1 5.16 0.02 . 1 . . . . . 47 PHE HA . 18620 1 503 . 1 . 1 47 47 PHE HB2 H 1 3.09 0.02 . 2 . . . . . 47 PHE HB2 . 18620 1 504 . 1 . 1 47 47 PHE HB3 H 1 2.89 0.02 . 2 . . . . . 47 PHE HB3 . 18620 1 505 . 1 . 1 47 47 PHE HD1 H 1 6.38 0.02 . 1 . . . . . 47 PHE HD1 . 18620 1 506 . 1 . 1 47 47 PHE C C 13 172.2 0.3 . 1 . . . . . 47 PHE C . 18620 1 507 . 1 . 1 47 47 PHE CA C 13 56.1 0.3 . 1 . . . . . 47 PHE CA . 18620 1 508 . 1 . 1 47 47 PHE CB C 13 43.0 0.3 . 1 . . . . . 47 PHE CB . 18620 1 509 . 1 . 1 47 47 PHE CD1 C 13 131.3 0.3 . 1 . . . . . 47 PHE CD1 . 18620 1 510 . 1 . 1 47 47 PHE CE1 C 13 132.7 0.3 . 1 . . . . . 47 PHE CE1 . 18620 1 511 . 1 . 1 47 47 PHE N N 15 111.5 0.3 . 1 . . . . . 47 PHE N . 18620 1 512 . 1 . 1 48 48 LEU H H 1 8.11 0.02 . 1 . . . . . 48 LEU H . 18620 1 513 . 1 . 1 48 48 LEU HA H 1 5.61 0.02 . 1 . . . . . 48 LEU HA . 18620 1 514 . 1 . 1 48 48 LEU HB2 H 1 1.65 0.02 . 2 . . . . . 48 LEU HB2 . 18620 1 515 . 1 . 1 48 48 LEU HB3 H 1 1.23 0.02 . 2 . . . . . 48 LEU HB3 . 18620 1 516 . 1 . 1 48 48 LEU HG H 1 1.48 0.02 . 1 . . . . . 48 LEU HG . 18620 1 517 . 1 . 1 48 48 LEU HD11 H 1 0.77 0.02 . 1 . . . . . 48 LEU HD1 . 18620 1 518 . 1 . 1 48 48 LEU HD12 H 1 0.77 0.02 . 1 . . . . . 48 LEU HD1 . 18620 1 519 . 1 . 1 48 48 LEU HD13 H 1 0.77 0.02 . 1 . . . . . 48 LEU HD1 . 18620 1 520 . 1 . 1 48 48 LEU HD21 H 1 0.63 0.02 . 1 . . . . . 48 LEU HD2 . 18620 1 521 . 1 . 1 48 48 LEU HD22 H 1 0.63 0.02 . 1 . . . . . 48 LEU HD2 . 18620 1 522 . 1 . 1 48 48 LEU HD23 H 1 0.63 0.02 . 1 . . . . . 48 LEU HD2 . 18620 1 523 . 1 . 1 48 48 LEU C C 13 175.9 0.3 . 1 . . . . . 48 LEU C . 18620 1 524 . 1 . 1 48 48 LEU CA C 13 53.0 0.3 . 1 . . . . . 48 LEU CA . 18620 1 525 . 1 . 1 48 48 LEU CB C 13 44.3 0.3 . 1 . . . . . 48 LEU CB . 18620 1 526 . 1 . 1 48 48 LEU CG C 13 26.7 0.3 . 1 . . . . . 48 LEU CG . 18620 1 527 . 1 . 1 48 48 LEU CD1 C 13 25.4 0.3 . 1 . . . . . 48 LEU CD1 . 18620 1 528 . 1 . 1 48 48 LEU CD2 C 13 23.9 0.3 . 1 . . . . . 48 LEU CD2 . 18620 1 529 . 1 . 1 48 48 LEU N N 15 117.0 0.3 . 1 . . . . . 48 LEU N . 18620 1 530 . 1 . 1 49 49 ALA H H 1 9.57 0.02 . 1 . . . . . 49 ALA H . 18620 1 531 . 1 . 1 49 49 ALA HA H 1 5.19 0.02 . 1 . . . . . 49 ALA HA . 18620 1 532 . 1 . 1 49 49 ALA HB1 H 1 1.26 0.02 . 1 . . . . . 49 ALA HB . 18620 1 533 . 1 . 1 49 49 ALA HB2 H 1 1.26 0.02 . 1 . . . . . 49 ALA HB . 18620 1 534 . 1 . 1 49 49 ALA HB3 H 1 1.26 0.02 . 1 . . . . . 49 ALA HB . 18620 1 535 . 1 . 1 49 49 ALA C C 13 174.1 0.3 . 1 . . . . . 49 ALA C . 18620 1 536 . 1 . 1 49 49 ALA CA C 13 50.4 0.3 . 1 . . . . . 49 ALA CA . 18620 1 537 . 1 . 1 49 49 ALA CB C 13 22.7 0.3 . 1 . . . . . 49 ALA CB . 18620 1 538 . 1 . 1 49 49 ALA N N 15 125.7 0.3 . 1 . . . . . 49 ALA N . 18620 1 539 . 1 . 1 50 50 ASP H H 1 8.41 0.02 . 1 . . . . . 50 ASP H . 18620 1 540 . 1 . 1 50 50 ASP HA H 1 5.60 0.02 . 1 . . . . . 50 ASP HA . 18620 1 541 . 1 . 1 50 50 ASP HB2 H 1 2.43 0.02 . 2 . . . . . 50 ASP HB2 . 18620 1 542 . 1 . 1 50 50 ASP HB3 H 1 2.35 0.02 . 2 . . . . . 50 ASP HB3 . 18620 1 543 . 1 . 1 50 50 ASP C C 13 174.8 0.3 . 1 . . . . . 50 ASP C . 18620 1 544 . 1 . 1 50 50 ASP CA C 13 52.5 0.3 . 1 . . . . . 50 ASP CA . 18620 1 545 . 1 . 1 50 50 ASP CB C 13 42.3 0.3 . 1 . . . . . 50 ASP CB . 18620 1 546 . 1 . 1 50 50 ASP N N 15 121.8 0.3 . 1 . . . . . 50 ASP N . 18620 1 547 . 1 . 1 51 51 PHE H H 1 8.93 0.02 . 1 . . . . . 51 PHE H . 18620 1 548 . 1 . 1 51 51 PHE HA H 1 4.64 0.02 . 1 . . . . . 51 PHE HA . 18620 1 549 . 1 . 1 51 51 PHE HB2 H 1 2.55 0.02 . 2 . . . . . 51 PHE HB2 . 18620 1 550 . 1 . 1 51 51 PHE HB3 H 1 3.43 0.02 . 2 . . . . . 51 PHE HB3 . 18620 1 551 . 1 . 1 51 51 PHE C C 13 176.1 0.3 . 1 . . . . . 51 PHE C . 18620 1 552 . 1 . 1 51 51 PHE CA C 13 57.2 0.3 . 1 . . . . . 51 PHE CA . 18620 1 553 . 1 . 1 51 51 PHE CB C 13 42.0 0.3 . 1 . . . . . 51 PHE CB . 18620 1 554 . 1 . 1 51 51 PHE CD1 C 13 131.5 0.3 . 1 . . . . . 51 PHE CD1 . 18620 1 555 . 1 . 1 51 51 PHE CE1 C 13 131.5 0.3 . 1 . . . . . 51 PHE CE1 . 18620 1 556 . 1 . 1 51 51 PHE N N 15 119.8 0.3 . 1 . . . . . 51 PHE N . 18620 1 557 . 1 . 1 52 52 GLU H H 1 9.99 0.02 . 1 . . . . . 52 GLU H . 18620 1 558 . 1 . 1 52 52 GLU HA H 1 3.99 0.02 . 1 . . . . . 52 GLU HA . 18620 1 559 . 1 . 1 52 52 GLU HG2 H 1 2.22 0.02 . 2 . . . . . 52 GLU HG2 . 18620 1 560 . 1 . 1 52 52 GLU HG3 H 1 2.54 0.02 . 2 . . . . . 52 GLU HG3 . 18620 1 561 . 1 . 1 52 52 GLU C C 13 177.2 0.3 . 1 . . . . . 52 GLU C . 18620 1 562 . 1 . 1 52 52 GLU CA C 13 60.4 0.3 . 1 . . . . . 52 GLU CA . 18620 1 563 . 1 . 1 52 52 GLU CB C 13 31.6 0.3 . 1 . . . . . 52 GLU CB . 18620 1 564 . 1 . 1 52 52 GLU CG C 13 38.3 0.3 . 1 . . . . . 52 GLU CG . 18620 1 565 . 1 . 1 52 52 GLU N N 15 117.1 0.3 . 1 . . . . . 52 GLU N . 18620 1 566 . 1 . 1 53 53 THR H H 1 7.05 0.02 . 1 . . . . . 53 THR H . 18620 1 567 . 1 . 1 53 53 THR HA H 1 4.92 0.02 . 1 . . . . . 53 THR HA . 18620 1 568 . 1 . 1 53 53 THR HB H 1 4.71 0.02 . 1 . . . . . 53 THR HB . 18620 1 569 . 1 . 1 53 53 THR HG21 H 1 1.27 0.02 . 1 . . . . . 53 THR HG2 . 18620 1 570 . 1 . 1 53 53 THR HG22 H 1 1.27 0.02 . 1 . . . . . 53 THR HG2 . 18620 1 571 . 1 . 1 53 53 THR HG23 H 1 1.27 0.02 . 1 . . . . . 53 THR HG2 . 18620 1 572 . 1 . 1 53 53 THR C C 13 173.6 0.3 . 1 . . . . . 53 THR C . 18620 1 573 . 1 . 1 53 53 THR CA C 13 58.6 0.3 . 1 . . . . . 53 THR CA . 18620 1 574 . 1 . 1 53 53 THR CB C 13 73.1 0.3 . 1 . . . . . 53 THR CB . 18620 1 575 . 1 . 1 53 53 THR CG2 C 13 21.7 0.3 . 1 . . . . . 53 THR CG2 . 18620 1 576 . 1 . 1 53 53 THR N N 15 101.6 0.3 . 1 . . . . . 53 THR N . 18620 1 577 . 1 . 1 54 54 GLU H H 1 9.12 0.02 . 1 . . . . . 54 GLU H . 18620 1 578 . 1 . 1 54 54 GLU HA H 1 4.10 0.02 . 1 . . . . . 54 GLU HA . 18620 1 579 . 1 . 1 54 54 GLU HB2 H 1 2.05 0.02 . 2 . . . . . 54 GLU HB2 . 18620 1 580 . 1 . 1 54 54 GLU HB3 H 1 1.96 0.02 . 2 . . . . . 54 GLU HB3 . 18620 1 581 . 1 . 1 54 54 GLU HG2 H 1 2.32 0.02 . 2 . . . . . 54 GLU HG2 . 18620 1 582 . 1 . 1 54 54 GLU HG3 H 1 2.21 0.02 . 2 . . . . . 54 GLU HG3 . 18620 1 583 . 1 . 1 54 54 GLU C C 13 177.8 0.3 . 1 . . . . . 54 GLU C . 18620 1 584 . 1 . 1 54 54 GLU CA C 13 58.4 0.3 . 1 . . . . . 54 GLU CA . 18620 1 585 . 1 . 1 54 54 GLU CB C 13 30.0 0.3 . 1 . . . . . 54 GLU CB . 18620 1 586 . 1 . 1 54 54 GLU CG C 13 36.5 0.3 . 1 . . . . . 54 GLU CG . 18620 1 587 . 1 . 1 54 54 GLU N N 15 121.3 0.3 . 1 . . . . . 54 GLU N . 18620 1 588 . 1 . 1 55 55 GLU H H 1 8.40 0.02 . 1 . . . . . 55 GLU H . 18620 1 589 . 1 . 1 55 55 GLU HA H 1 4.00 0.02 . 1 . . . . . 55 GLU HA . 18620 1 590 . 1 . 1 55 55 GLU HB2 H 1 1.93 0.02 . 2 . . . . . 55 GLU HB2 . 18620 1 591 . 1 . 1 55 55 GLU HB3 H 1 2.12 0.02 . 2 . . . . . 55 GLU HB3 . 18620 1 592 . 1 . 1 55 55 GLU C C 13 179.3 0.3 . 1 . . . . . 55 GLU C . 18620 1 593 . 1 . 1 55 55 GLU CA C 13 60.0 0.3 . 1 . . . . . 55 GLU CA . 18620 1 594 . 1 . 1 55 55 GLU CB C 13 28.9 0.3 . 1 . . . . . 55 GLU CB . 18620 1 595 . 1 . 1 55 55 GLU CG C 13 36.8 0.3 . 1 . . . . . 55 GLU CG . 18620 1 596 . 1 . 1 55 55 GLU N N 15 119.2 0.3 . 1 . . . . . 55 GLU N . 18620 1 597 . 1 . 1 56 56 ILE H H 1 7.61 0.02 . 1 . . . . . 56 ILE H . 18620 1 598 . 1 . 1 56 56 ILE HA H 1 3.29 0.02 . 1 . . . . . 56 ILE HA . 18620 1 599 . 1 . 1 56 56 ILE HB H 1 1.70 0.02 . 1 . . . . . 56 ILE HB . 18620 1 600 . 1 . 1 56 56 ILE HG12 H 1 1.07 0.02 . 2 . . . . . 56 ILE HG12 . 18620 1 601 . 1 . 1 56 56 ILE HG13 H 1 1.62 0.02 . 2 . . . . . 56 ILE HG13 . 18620 1 602 . 1 . 1 56 56 ILE HG21 H 1 0.26 0.02 . 1 . . . . . 56 ILE HG2 . 18620 1 603 . 1 . 1 56 56 ILE HG22 H 1 0.26 0.02 . 1 . . . . . 56 ILE HG2 . 18620 1 604 . 1 . 1 56 56 ILE HG23 H 1 0.26 0.02 . 1 . . . . . 56 ILE HG2 . 18620 1 605 . 1 . 1 56 56 ILE HD11 H 1 1.18 0.02 . 1 . . . . . 56 ILE HD1 . 18620 1 606 . 1 . 1 56 56 ILE HD12 H 1 1.18 0.02 . 1 . . . . . 56 ILE HD1 . 18620 1 607 . 1 . 1 56 56 ILE HD13 H 1 1.18 0.02 . 1 . . . . . 56 ILE HD1 . 18620 1 608 . 1 . 1 56 56 ILE C C 13 176.3 0.3 . 1 . . . . . 56 ILE C . 18620 1 609 . 1 . 1 56 56 ILE CA C 13 65.6 0.3 . 1 . . . . . 56 ILE CA . 18620 1 610 . 1 . 1 56 56 ILE CB C 13 38.6 0.3 . 1 . . . . . 56 ILE CB . 18620 1 611 . 1 . 1 56 56 ILE CG1 C 13 30.0 0.3 . 1 . . . . . 56 ILE CG1 . 18620 1 612 . 1 . 1 56 56 ILE CG2 C 13 17.7 0.3 . 1 . . . . . 56 ILE CG2 . 18620 1 613 . 1 . 1 56 56 ILE CD1 C 13 14.4 0.3 . 1 . . . . . 56 ILE CD1 . 18620 1 614 . 1 . 1 56 56 ILE N N 15 120.6 0.3 . 1 . . . . . 56 ILE N . 18620 1 615 . 1 . 1 57 57 VAL H H 1 6.67 0.02 . 1 . . . . . 57 VAL H . 18620 1 616 . 1 . 1 57 57 VAL HA H 1 2.89 0.02 . 1 . . . . . 57 VAL HA . 18620 1 617 . 1 . 1 57 57 VAL HB H 1 2.26 0.02 . 1 . . . . . 57 VAL HB . 18620 1 618 . 1 . 1 57 57 VAL HG11 H 1 0.89 0.02 . 1 . . . . . 57 VAL HG1 . 18620 1 619 . 1 . 1 57 57 VAL HG12 H 1 0.89 0.02 . 1 . . . . . 57 VAL HG1 . 18620 1 620 . 1 . 1 57 57 VAL HG13 H 1 0.89 0.02 . 1 . . . . . 57 VAL HG1 . 18620 1 621 . 1 . 1 57 57 VAL HG21 H 1 0.99 0.02 . 1 . . . . . 57 VAL HG2 . 18620 1 622 . 1 . 1 57 57 VAL HG22 H 1 0.99 0.02 . 1 . . . . . 57 VAL HG2 . 18620 1 623 . 1 . 1 57 57 VAL HG23 H 1 0.99 0.02 . 1 . . . . . 57 VAL HG2 . 18620 1 624 . 1 . 1 57 57 VAL C C 13 177.0 0.3 . 1 . . . . . 57 VAL C . 18620 1 625 . 1 . 1 57 57 VAL CA C 13 67.6 0.3 . 1 . . . . . 57 VAL CA . 18620 1 626 . 1 . 1 57 57 VAL CB C 13 31.4 0.3 . 1 . . . . . 57 VAL CB . 18620 1 627 . 1 . 1 57 57 VAL CG1 C 13 21.6 0.3 . 1 . . . . . 57 VAL CG1 . 18620 1 628 . 1 . 1 57 57 VAL CG2 C 13 24.2 0.3 . 1 . . . . . 57 VAL CG2 . 18620 1 629 . 1 . 1 57 57 VAL N N 15 118.4 0.3 . 1 . . . . . 57 VAL N . 18620 1 630 . 1 . 1 58 58 ASN H H 1 7.89 0.02 . 1 . . . . . 58 ASN H . 18620 1 631 . 1 . 1 58 58 ASN HA H 1 4.31 0.02 . 1 . . . . . 58 ASN HA . 18620 1 632 . 1 . 1 58 58 ASN HD21 H 1 6.90 0.02 . 1 . . . . . 58 ASN HD21 . 18620 1 633 . 1 . 1 58 58 ASN HD22 H 1 7.35 0.02 . 1 . . . . . 58 ASN HD22 . 18620 1 634 . 1 . 1 58 58 ASN C C 13 178.1 0.3 . 1 . . . . . 58 ASN C . 18620 1 635 . 1 . 1 58 58 ASN CA C 13 55.9 0.3 . 1 . . . . . 58 ASN CA . 18620 1 636 . 1 . 1 58 58 ASN CB C 13 37.8 0.3 . 1 . . . . . 58 ASN CB . 18620 1 637 . 1 . 1 58 58 ASN N N 15 114.7 0.3 . 1 . . . . . 58 ASN N . 18620 1 638 . 1 . 1 58 58 ASN ND2 N 15 110.9 0.3 . 1 . . . . . 58 ASN ND2 . 18620 1 639 . 1 . 1 59 59 LYS H H 1 8.06 0.02 . 1 . . . . . 59 LYS H . 18620 1 640 . 1 . 1 59 59 LYS HA H 1 3.94 0.02 . 1 . . . . . 59 LYS HA . 18620 1 641 . 1 . 1 59 59 LYS HB2 H 1 1.82 0.02 . 2 . . . . . 59 LYS HB2 . 18620 1 642 . 1 . 1 59 59 LYS HB3 H 1 1.92 0.02 . 2 . . . . . 59 LYS HB3 . 18620 1 643 . 1 . 1 59 59 LYS HD2 H 1 1.77 0.02 . 2 . . . . . 59 LYS HD2 . 18620 1 644 . 1 . 1 59 59 LYS HD3 H 1 1.70 0.02 . 2 . . . . . 59 LYS HD3 . 18620 1 645 . 1 . 1 59 59 LYS C C 13 178.2 0.3 . 1 . . . . . 59 LYS C . 18620 1 646 . 1 . 1 59 59 LYS CA C 13 60.0 0.3 . 1 . . . . . 59 LYS CA . 18620 1 647 . 1 . 1 59 59 LYS CB C 13 32.6 0.3 . 1 . . . . . 59 LYS CB . 18620 1 648 . 1 . 1 59 59 LYS CG C 13 25.2 0.3 . 1 . . . . . 59 LYS CG . 18620 1 649 . 1 . 1 59 59 LYS CD C 13 29.6 0.3 . 1 . . . . . 59 LYS CD . 18620 1 650 . 1 . 1 59 59 LYS CE C 13 42.1 0.3 . 1 . . . . . 59 LYS CE . 18620 1 651 . 1 . 1 59 59 LYS N N 15 123.6 0.3 . 1 . . . . . 59 LYS N . 18620 1 652 . 1 . 1 60 60 ILE H H 1 7.96 0.02 . 1 . . . . . 60 ILE H . 18620 1 653 . 1 . 1 60 60 ILE HA H 1 3.32 0.02 . 1 . . . . . 60 ILE HA . 18620 1 654 . 1 . 1 60 60 ILE HB H 1 1.38 0.02 . 1 . . . . . 60 ILE HB . 18620 1 655 . 1 . 1 60 60 ILE HG12 H 1 0.30 0.02 . 2 . . . . . 60 ILE HG12 . 18620 1 656 . 1 . 1 60 60 ILE HG13 H 1 1.06 0.02 . 2 . . . . . 60 ILE HG13 . 18620 1 657 . 1 . 1 60 60 ILE HG21 H 1 0.48 0.02 . 1 . . . . . 60 ILE HG2 . 18620 1 658 . 1 . 1 60 60 ILE HG22 H 1 0.48 0.02 . 1 . . . . . 60 ILE HG2 . 18620 1 659 . 1 . 1 60 60 ILE HG23 H 1 0.48 0.02 . 1 . . . . . 60 ILE HG2 . 18620 1 660 . 1 . 1 60 60 ILE HD11 H 1 -0.58 0.02 . 1 . . . . . 60 ILE HD1 . 18620 1 661 . 1 . 1 60 60 ILE HD12 H 1 -0.58 0.02 . 1 . . . . . 60 ILE HD1 . 18620 1 662 . 1 . 1 60 60 ILE HD13 H 1 -0.58 0.02 . 1 . . . . . 60 ILE HD1 . 18620 1 663 . 1 . 1 60 60 ILE C C 13 178.0 0.3 . 1 . . . . . 60 ILE C . 18620 1 664 . 1 . 1 60 60 ILE CA C 13 66.1 0.3 . 1 . . . . . 60 ILE CA . 18620 1 665 . 1 . 1 60 60 ILE CB C 13 37.8 0.3 . 1 . . . . . 60 ILE CB . 18620 1 666 . 1 . 1 60 60 ILE CG1 C 13 29.8 0.3 . 1 . . . . . 60 ILE CG1 . 18620 1 667 . 1 . 1 60 60 ILE CG2 C 13 18.6 0.3 . 1 . . . . . 60 ILE CG2 . 18620 1 668 . 1 . 1 60 60 ILE CD1 C 13 14.5 0.3 . 1 . . . . . 60 ILE CD1 . 18620 1 669 . 1 . 1 60 60 ILE N N 15 120.8 0.3 . 1 . . . . . 60 ILE N . 18620 1 670 . 1 . 1 61 61 ILE H H 1 7.85 0.02 . 1 . . . . . 61 ILE H . 18620 1 671 . 1 . 1 61 61 ILE HA H 1 3.35 0.02 . 1 . . . . . 61 ILE HA . 18620 1 672 . 1 . 1 61 61 ILE HB H 1 1.83 0.02 . 1 . . . . . 61 ILE HB . 18620 1 673 . 1 . 1 61 61 ILE HG12 H 1 1.80 0.02 . 2 . . . . . 61 ILE HG12 . 18620 1 674 . 1 . 1 61 61 ILE HG13 H 1 0.85 0.02 . 2 . . . . . 61 ILE HG13 . 18620 1 675 . 1 . 1 61 61 ILE HG21 H 1 0.97 0.02 . 1 . . . . . 61 ILE HG2 . 18620 1 676 . 1 . 1 61 61 ILE HG22 H 1 0.97 0.02 . 1 . . . . . 61 ILE HG2 . 18620 1 677 . 1 . 1 61 61 ILE HG23 H 1 0.97 0.02 . 1 . . . . . 61 ILE HG2 . 18620 1 678 . 1 . 1 61 61 ILE HD11 H 1 0.85 0.02 . 1 . . . . . 61 ILE HD1 . 18620 1 679 . 1 . 1 61 61 ILE HD12 H 1 0.85 0.02 . 1 . . . . . 61 ILE HD1 . 18620 1 680 . 1 . 1 61 61 ILE HD13 H 1 0.85 0.02 . 1 . . . . . 61 ILE HD1 . 18620 1 681 . 1 . 1 61 61 ILE CA C 13 65.8 0.3 . 1 . . . . . 61 ILE CA . 18620 1 682 . 1 . 1 61 61 ILE CB C 13 38.0 0.3 . 1 . . . . . 61 ILE CB . 18620 1 683 . 1 . 1 61 61 ILE CG1 C 13 30.2 0.3 . 1 . . . . . 61 ILE CG1 . 18620 1 684 . 1 . 1 61 61 ILE CG2 C 13 17.1 0.3 . 1 . . . . . 61 ILE CG2 . 18620 1 685 . 1 . 1 61 61 ILE CD1 C 13 14.8 0.3 . 1 . . . . . 61 ILE CD1 . 18620 1 686 . 1 . 1 61 61 ILE N N 15 117.7 0.3 . 1 . . . . . 61 ILE N . 18620 1 687 . 1 . 1 62 62 THR H H 1 7.66 0.02 . 1 . . . . . 62 THR H . 18620 1 688 . 1 . 1 62 62 THR HA H 1 3.96 0.02 . 1 . . . . . 62 THR HA . 18620 1 689 . 1 . 1 62 62 THR HB H 1 4.28 0.02 . 1 . . . . . 62 THR HB . 18620 1 690 . 1 . 1 62 62 THR HG21 H 1 1.27 0.02 . 1 . . . . . 62 THR HG2 . 18620 1 691 . 1 . 1 62 62 THR HG22 H 1 1.27 0.02 . 1 . . . . . 62 THR HG2 . 18620 1 692 . 1 . 1 62 62 THR HG23 H 1 1.27 0.02 . 1 . . . . . 62 THR HG2 . 18620 1 693 . 1 . 1 62 62 THR C C 13 176.2 0.3 . 1 . . . . . 62 THR C . 18620 1 694 . 1 . 1 62 62 THR CA C 13 66.1 0.3 . 1 . . . . . 62 THR CA . 18620 1 695 . 1 . 1 62 62 THR CB C 13 69.1 0.3 . 1 . . . . . 62 THR CB . 18620 1 696 . 1 . 1 62 62 THR CG2 C 13 21.3 0.3 . 1 . . . . . 62 THR CG2 . 18620 1 697 . 1 . 1 62 62 THR N N 15 113.4 0.3 . 1 . . . . . 62 THR N . 18620 1 698 . 1 . 1 63 63 GLU H H 1 8.47 0.02 . 1 . . . . . 63 GLU H . 18620 1 699 . 1 . 1 63 63 GLU HA H 1 3.91 0.02 . 1 . . . . . 63 GLU HA . 18620 1 700 . 1 . 1 63 63 GLU HB2 H 1 2.03 0.02 . 2 . . . . . 63 GLU HB2 . 18620 1 701 . 1 . 1 63 63 GLU HB3 H 1 1.92 0.02 . 2 . . . . . 63 GLU HB3 . 18620 1 702 . 1 . 1 63 63 GLU HG2 H 1 2.48 0.02 . 2 . . . . . 63 GLU HG2 . 18620 1 703 . 1 . 1 63 63 GLU HG3 H 1 2.27 0.02 . 2 . . . . . 63 GLU HG3 . 18620 1 704 . 1 . 1 63 63 GLU C C 13 176.7 0.3 . 1 . . . . . 63 GLU C . 18620 1 705 . 1 . 1 63 63 GLU CA C 13 58.7 0.3 . 1 . . . . . 63 GLU CA . 18620 1 706 . 1 . 1 63 63 GLU CB C 13 30.1 0.3 . 1 . . . . . 63 GLU CB . 18620 1 707 . 1 . 1 63 63 GLU CG C 13 36.8 0.3 . 1 . . . . . 63 GLU CG . 18620 1 708 . 1 . 1 63 63 GLU N N 15 122.1 0.3 . 1 . . . . . 63 GLU N . 18620 1 709 . 1 . 1 64 64 ALA H H 1 8.72 0.02 . 1 . . . . . 64 ALA H . 18620 1 710 . 1 . 1 64 64 ALA HA H 1 3.83 0.02 . 1 . . . . . 64 ALA HA . 18620 1 711 . 1 . 1 64 64 ALA HB1 H 1 1.47 0.02 . 1 . . . . . 64 ALA HB . 18620 1 712 . 1 . 1 64 64 ALA HB2 H 1 1.47 0.02 . 1 . . . . . 64 ALA HB . 18620 1 713 . 1 . 1 64 64 ALA HB3 H 1 1.47 0.02 . 1 . . . . . 64 ALA HB . 18620 1 714 . 1 . 1 64 64 ALA C C 13 173.8 0.3 . 1 . . . . . 64 ALA C . 18620 1 715 . 1 . 1 64 64 ALA CA C 13 52.0 0.3 . 1 . . . . . 64 ALA CA . 18620 1 716 . 1 . 1 64 64 ALA CB C 13 18.0 0.3 . 1 . . . . . 64 ALA CB . 18620 1 717 . 1 . 1 64 64 ALA N N 15 120.1 0.3 . 1 . . . . . 64 ALA N . 18620 1 718 . 1 . 1 65 65 PRO HA H 1 4.48 0.02 . 1 . . . . . 65 PRO HA . 18620 1 719 . 1 . 1 65 65 PRO HB2 H 1 2.22 0.02 . 2 . . . . . 65 PRO HB2 . 18620 1 720 . 1 . 1 65 65 PRO HB3 H 1 1.93 0.02 . 2 . . . . . 65 PRO HB3 . 18620 1 721 . 1 . 1 65 65 PRO HG2 H 1 2.09 0.02 . 2 . . . . . 65 PRO HG2 . 18620 1 722 . 1 . 1 65 65 PRO HG3 H 1 2.46 0.02 . 2 . . . . . 65 PRO HG3 . 18620 1 723 . 1 . 1 65 65 PRO HD2 H 1 3.53 0.02 . 2 . . . . . 65 PRO HD2 . 18620 1 724 . 1 . 1 65 65 PRO HD3 H 1 3.37 0.02 . 2 . . . . . 65 PRO HD3 . 18620 1 725 . 1 . 1 65 65 PRO C C 13 177.7 0.3 . 1 . . . . . 65 PRO C . 18620 1 726 . 1 . 1 65 65 PRO CA C 13 63.3 0.3 . 1 . . . . . 65 PRO CA . 18620 1 727 . 1 . 1 65 65 PRO CB C 13 31.0 0.3 . 1 . . . . . 65 PRO CB . 18620 1 728 . 1 . 1 65 65 PRO CG C 13 27.1 0.3 . 1 . . . . . 65 PRO CG . 18620 1 729 . 1 . 1 65 65 PRO CD C 13 50.5 0.3 . 1 . . . . . 65 PRO CD . 18620 1 730 . 1 . 1 66 66 LYS H H 1 8.49 0.02 . 1 . . . . . 66 LYS H . 18620 1 731 . 1 . 1 66 66 LYS HA H 1 4.43 0.02 . 1 . . . . . 66 LYS HA . 18620 1 732 . 1 . 1 66 66 LYS HG2 H 1 1.74 0.02 . 2 . . . . . 66 LYS HG2 . 18620 1 733 . 1 . 1 66 66 LYS HG3 H 1 1.45 0.02 . 2 . . . . . 66 LYS HG3 . 18620 1 734 . 1 . 1 66 66 LYS HE2 H 1 3.02 0.02 . 2 . . . . . 66 LYS HE2 . 18620 1 735 . 1 . 1 66 66 LYS HE3 H 1 2.93 0.02 . 2 . . . . . 66 LYS HE3 . 18620 1 736 . 1 . 1 66 66 LYS C C 13 175.7 0.3 . 1 . . . . . 66 LYS C . 18620 1 737 . 1 . 1 66 66 LYS CA C 13 56.5 0.3 . 1 . . . . . 66 LYS CA . 18620 1 738 . 1 . 1 66 66 LYS CB C 13 35.1 0.3 . 1 . . . . . 66 LYS CB . 18620 1 739 . 1 . 1 66 66 LYS CG C 13 25.9 0.3 . 1 . . . . . 66 LYS CG . 18620 1 740 . 1 . 1 66 66 LYS CD C 13 29.6 0.3 . 1 . . . . . 66 LYS CD . 18620 1 741 . 1 . 1 66 66 LYS CE C 13 42.2 0.3 . 1 . . . . . 66 LYS CE . 18620 1 742 . 1 . 1 66 66 LYS N N 15 123.3 0.3 . 1 . . . . . 66 LYS N . 18620 1 743 . 1 . 1 67 67 LEU H H 1 7.91 0.02 . 1 . . . . . 67 LEU H . 18620 1 744 . 1 . 1 67 67 LEU HA H 1 4.69 0.02 . 1 . . . . . 67 LEU HA . 18620 1 745 . 1 . 1 67 67 LEU HB2 H 1 0.62 0.02 . 2 . . . . . 67 LEU HB2 . 18620 1 746 . 1 . 1 67 67 LEU HB3 H 1 1.38 0.02 . 2 . . . . . 67 LEU HB3 . 18620 1 747 . 1 . 1 67 67 LEU HG H 1 1.18 0.02 . 1 . . . . . 67 LEU HG . 18620 1 748 . 1 . 1 67 67 LEU HD11 H 1 0.32 0.02 . 1 . . . . . 67 LEU HD1 . 18620 1 749 . 1 . 1 67 67 LEU HD12 H 1 0.32 0.02 . 1 . . . . . 67 LEU HD1 . 18620 1 750 . 1 . 1 67 67 LEU HD13 H 1 0.32 0.02 . 1 . . . . . 67 LEU HD1 . 18620 1 751 . 1 . 1 67 67 LEU HD21 H 1 0.56 0.02 . 1 . . . . . 67 LEU HD2 . 18620 1 752 . 1 . 1 67 67 LEU HD22 H 1 0.56 0.02 . 1 . . . . . 67 LEU HD2 . 18620 1 753 . 1 . 1 67 67 LEU HD23 H 1 0.56 0.02 . 1 . . . . . 67 LEU HD2 . 18620 1 754 . 1 . 1 67 67 LEU C C 13 176.9 0.3 . 1 . . . . . 67 LEU C . 18620 1 755 . 1 . 1 67 67 LEU CA C 13 52.9 0.3 . 1 . . . . . 67 LEU CA . 18620 1 756 . 1 . 1 67 67 LEU CB C 13 42.1 0.3 . 1 . . . . . 67 LEU CB . 18620 1 757 . 1 . 1 67 67 LEU CG C 13 26.9 0.3 . 1 . . . . . 67 LEU CG . 18620 1 758 . 1 . 1 67 67 LEU CD1 C 13 25.6 0.3 . 1 . . . . . 67 LEU CD1 . 18620 1 759 . 1 . 1 67 67 LEU CD2 C 13 23.3 0.3 . 1 . . . . . 67 LEU CD2 . 18620 1 760 . 1 . 1 67 67 LEU N N 15 122.0 0.3 . 1 . . . . . 67 LEU N . 18620 1 761 . 1 . 1 68 68 GLY H H 1 8.72 0.02 . 1 . . . . . 68 GLY H . 18620 1 762 . 1 . 1 68 68 GLY HA2 H 1 3.93 0.02 . 2 . . . . . 68 GLY HA2 . 18620 1 763 . 1 . 1 68 68 GLY HA3 H 1 3.64 0.02 . 2 . . . . . 68 GLY HA3 . 18620 1 764 . 1 . 1 68 68 GLY C C 13 174.3 0.3 . 1 . . . . . 68 GLY C . 18620 1 765 . 1 . 1 68 68 GLY CA C 13 47.2 0.3 . 1 . . . . . 68 GLY CA . 18620 1 766 . 1 . 1 68 68 GLY N N 15 117.7 0.3 . 1 . . . . . 68 GLY N . 18620 1 767 . 1 . 1 69 69 GLU H H 1 8.90 0.02 . 1 . . . . . 69 GLU H . 18620 1 768 . 1 . 1 69 69 GLU HA H 1 4.24 0.02 . 1 . . . . . 69 GLU HA . 18620 1 769 . 1 . 1 69 69 GLU HB2 H 1 1.89 0.02 . 2 . . . . . 69 GLU HB2 . 18620 1 770 . 1 . 1 69 69 GLU HB3 H 1 2.22 0.02 . 2 . . . . . 69 GLU HB3 . 18620 1 771 . 1 . 1 69 69 GLU HG2 H 1 2.29 0.02 . 2 . . . . . 69 GLU HG2 . 18620 1 772 . 1 . 1 69 69 GLU HG3 H 1 2.19 0.02 . 2 . . . . . 69 GLU HG3 . 18620 1 773 . 1 . 1 69 69 GLU C C 13 176.2 0.3 . 1 . . . . . 69 GLU C . 18620 1 774 . 1 . 1 69 69 GLU CA C 13 56.2 0.3 . 1 . . . . . 69 GLU CA . 18620 1 775 . 1 . 1 69 69 GLU CB C 13 29.9 0.3 . 1 . . . . . 69 GLU CB . 18620 1 776 . 1 . 1 69 69 GLU CG C 13 36.1 0.3 . 1 . . . . . 69 GLU CG . 18620 1 777 . 1 . 1 69 69 GLU N N 15 124.8 0.3 . 1 . . . . . 69 GLU N . 18620 1 778 . 1 . 1 70 70 LYS H H 1 8.02 0.02 . 1 . . . . . 70 LYS H . 18620 1 779 . 1 . 1 70 70 LYS HA H 1 4.26 0.02 . 1 . . . . . 70 LYS HA . 18620 1 780 . 1 . 1 70 70 LYS HB2 H 1 1.85 0.02 . 2 . . . . . 70 LYS HB2 . 18620 1 781 . 1 . 1 70 70 LYS HB3 H 1 1.79 0.02 . 2 . . . . . 70 LYS HB3 . 18620 1 782 . 1 . 1 70 70 LYS HG2 H 1 1.36 0.02 . 2 . . . . . 70 LYS HG2 . 18620 1 783 . 1 . 1 70 70 LYS HG3 H 1 1.42 0.02 . 2 . . . . . 70 LYS HG3 . 18620 1 784 . 1 . 1 70 70 LYS C C 13 175.0 0.3 . 1 . . . . . 70 LYS C . 18620 1 785 . 1 . 1 70 70 LYS CA C 13 55.9 0.3 . 1 . . . . . 70 LYS CA . 18620 1 786 . 1 . 1 70 70 LYS CB C 13 33.4 0.3 . 1 . . . . . 70 LYS CB . 18620 1 787 . 1 . 1 70 70 LYS CG C 13 24.6 0.3 . 1 . . . . . 70 LYS CG . 18620 1 788 . 1 . 1 70 70 LYS CD C 13 28.9 0.3 . 1 . . . . . 70 LYS CD . 18620 1 789 . 1 . 1 70 70 LYS CE C 13 42.1 0.3 . 1 . . . . . 70 LYS CE . 18620 1 790 . 1 . 1 70 70 LYS N N 15 122.0 0.3 . 1 . . . . . 70 LYS N . 18620 1 791 . 1 . 1 71 71 GLU H H 1 8.43 0.02 . 1 . . . . . 71 GLU H . 18620 1 792 . 1 . 1 71 71 GLU HA H 1 4.31 0.02 . 1 . . . . . 71 GLU HA . 18620 1 793 . 1 . 1 71 71 GLU HB2 H 1 1.90 0.02 . 2 . . . . . 71 GLU HB2 . 18620 1 794 . 1 . 1 71 71 GLU HB3 H 1 1.98 0.02 . 2 . . . . . 71 GLU HB3 . 18620 1 795 . 1 . 1 71 71 GLU HG2 H 1 2.18 0.02 . 2 . . . . . 71 GLU HG2 . 18620 1 796 . 1 . 1 71 71 GLU HG3 H 1 2.33 0.02 . 2 . . . . . 71 GLU HG3 . 18620 1 797 . 1 . 1 71 71 GLU C C 13 175.7 0.3 . 1 . . . . . 71 GLU C . 18620 1 798 . 1 . 1 71 71 GLU CA C 13 56.3 0.3 . 1 . . . . . 71 GLU CA . 18620 1 799 . 1 . 1 71 71 GLU CB C 13 30.2 0.3 . 1 . . . . . 71 GLU CB . 18620 1 800 . 1 . 1 71 71 GLU CG C 13 36.1 0.3 . 1 . . . . . 71 GLU CG . 18620 1 801 . 1 . 1 71 71 GLU N N 15 124.0 0.3 . 1 . . . . . 71 GLU N . 18620 1 802 . 1 . 1 72 72 LEU H H 1 8.36 0.02 . 1 . . . . . 72 LEU H . 18620 1 803 . 1 . 1 72 72 LEU HA H 1 4.41 0.02 . 1 . . . . . 72 LEU HA . 18620 1 804 . 1 . 1 72 72 LEU HB2 H 1 1.39 0.02 . 2 . . . . . 72 LEU HB2 . 18620 1 805 . 1 . 1 72 72 LEU HB3 H 1 0.59 0.02 . 2 . . . . . 72 LEU HB3 . 18620 1 806 . 1 . 1 72 72 LEU HG H 1 -0.08 0.02 . 1 . . . . . 72 LEU HG . 18620 1 807 . 1 . 1 72 72 LEU HD11 H 1 0.63 0.02 . 1 . . . . . 72 LEU HD1 . 18620 1 808 . 1 . 1 72 72 LEU HD12 H 1 0.63 0.02 . 1 . . . . . 72 LEU HD1 . 18620 1 809 . 1 . 1 72 72 LEU HD13 H 1 0.63 0.02 . 1 . . . . . 72 LEU HD1 . 18620 1 810 . 1 . 1 72 72 LEU HD21 H 1 -0.23 0.02 . 1 . . . . . 72 LEU HD2 . 18620 1 811 . 1 . 1 72 72 LEU HD22 H 1 -0.23 0.02 . 1 . . . . . 72 LEU HD2 . 18620 1 812 . 1 . 1 72 72 LEU HD23 H 1 -0.23 0.02 . 1 . . . . . 72 LEU HD2 . 18620 1 813 . 1 . 1 72 72 LEU C C 13 175.8 0.3 . 1 . . . . . 72 LEU C . 18620 1 814 . 1 . 1 72 72 LEU CA C 13 53.0 0.3 . 1 . . . . . 72 LEU CA . 18620 1 815 . 1 . 1 72 72 LEU CB C 13 44.3 0.3 . 1 . . . . . 72 LEU CB . 18620 1 816 . 1 . 1 72 72 LEU CG C 13 25.6 0.3 . 1 . . . . . 72 LEU CG . 18620 1 817 . 1 . 1 72 72 LEU CD1 C 13 24.3 0.3 . 1 . . . . . 72 LEU CD1 . 18620 1 818 . 1 . 1 72 72 LEU CD2 C 13 21.9 0.3 . 1 . . . . . 72 LEU CD2 . 18620 1 819 . 1 . 1 72 72 LEU N N 15 126.2 0.3 . 1 . . . . . 72 LEU N . 18620 1 820 . 1 . 1 73 73 ILE H H 1 7.67 0.02 . 1 . . . . . 73 ILE H . 18620 1 821 . 1 . 1 73 73 ILE HA H 1 4.22 0.02 . 1 . . . . . 73 ILE HA . 18620 1 822 . 1 . 1 73 73 ILE HB H 1 1.51 0.02 . 1 . . . . . 73 ILE HB . 18620 1 823 . 1 . 1 73 73 ILE HG12 H 1 1.19 0.02 . 2 . . . . . 73 ILE HG12 . 18620 1 824 . 1 . 1 73 73 ILE HG13 H 1 1.43 0.02 . 2 . . . . . 73 ILE HG13 . 18620 1 825 . 1 . 1 73 73 ILE HG21 H 1 0.88 0.02 . 1 . . . . . 73 ILE HG2 . 18620 1 826 . 1 . 1 73 73 ILE HG22 H 1 0.88 0.02 . 1 . . . . . 73 ILE HG2 . 18620 1 827 . 1 . 1 73 73 ILE HG23 H 1 0.88 0.02 . 1 . . . . . 73 ILE HG2 . 18620 1 828 . 1 . 1 73 73 ILE HD11 H 1 0.79 0.02 . 1 . . . . . 73 ILE HD1 . 18620 1 829 . 1 . 1 73 73 ILE HD12 H 1 0.79 0.02 . 1 . . . . . 73 ILE HD1 . 18620 1 830 . 1 . 1 73 73 ILE HD13 H 1 0.79 0.02 . 1 . . . . . 73 ILE HD1 . 18620 1 831 . 1 . 1 73 73 ILE C C 13 175.0 0.3 . 1 . . . . . 73 ILE C . 18620 1 832 . 1 . 1 73 73 ILE CA C 13 60.0 0.3 . 1 . . . . . 73 ILE CA . 18620 1 833 . 1 . 1 73 73 ILE CB C 13 39.5 0.3 . 1 . . . . . 73 ILE CB . 18620 1 834 . 1 . 1 73 73 ILE CG1 C 13 28.0 0.3 . 1 . . . . . 73 ILE CG1 . 18620 1 835 . 1 . 1 73 73 ILE CG2 C 13 17.1 0.3 . 1 . . . . . 73 ILE CG2 . 18620 1 836 . 1 . 1 73 73 ILE CD1 C 13 12.5 0.3 . 1 . . . . . 73 ILE CD1 . 18620 1 837 . 1 . 1 73 73 ILE N N 15 120.0 0.3 . 1 . . . . . 73 ILE N . 18620 1 838 . 1 . 1 74 74 TYR H H 1 8.74 0.02 . 1 . . . . . 74 TYR H . 18620 1 839 . 1 . 1 74 74 TYR HA H 1 5.44 0.02 . 1 . . . . . 74 TYR HA . 18620 1 840 . 1 . 1 74 74 TYR C C 13 174.7 0.3 . 1 . . . . . 74 TYR C . 18620 1 841 . 1 . 1 74 74 TYR CA C 13 57.1 0.3 . 1 . . . . . 74 TYR CA . 18620 1 842 . 1 . 1 74 74 TYR CB C 13 42.8 0.3 . 1 . . . . . 74 TYR CB . 18620 1 843 . 1 . 1 74 74 TYR CD1 C 13 132.8 0.3 . 1 . . . . . 74 TYR CD1 . 18620 1 844 . 1 . 1 74 74 TYR CE1 C 13 130.6 0.3 . 1 . . . . . 74 TYR CE1 . 18620 1 845 . 1 . 1 74 74 TYR N N 15 125.8 0.3 . 1 . . . . . 74 TYR N . 18620 1 846 . 1 . 1 75 75 GLN H H 1 9.64 0.02 . 1 . . . . . 75 GLN H . 18620 1 847 . 1 . 1 75 75 GLN HA H 1 4.99 0.02 . 1 . . . . . 75 GLN HA . 18620 1 848 . 1 . 1 75 75 GLN HB2 H 1 2.25 0.02 . 2 . . . . . 75 GLN HB2 . 18620 1 849 . 1 . 1 75 75 GLN HB3 H 1 2.13 0.02 . 2 . . . . . 75 GLN HB3 . 18620 1 850 . 1 . 1 75 75 GLN HG2 H 1 2.40 0.02 . 2 . . . . . 75 GLN HG2 . 18620 1 851 . 1 . 1 75 75 GLN HG3 H 1 2.49 0.02 . 2 . . . . . 75 GLN HG3 . 18620 1 852 . 1 . 1 75 75 GLN HE21 H 1 6.69 0.02 . 1 . . . . . 75 GLN HE21 . 18620 1 853 . 1 . 1 75 75 GLN HE22 H 1 7.10 0.02 . 1 . . . . . 75 GLN HE22 . 18620 1 854 . 1 . 1 75 75 GLN C C 13 175.4 0.3 . 1 . . . . . 75 GLN C . 18620 1 855 . 1 . 1 75 75 GLN CA C 13 54.2 0.3 . 1 . . . . . 75 GLN CA . 18620 1 856 . 1 . 1 75 75 GLN CB C 13 35.1 0.3 . 1 . . . . . 75 GLN CB . 18620 1 857 . 1 . 1 75 75 GLN CG C 13 34.2 0.3 . 1 . . . . . 75 GLN CG . 18620 1 858 . 1 . 1 75 75 GLN N N 15 120.3 0.3 . 1 . . . . . 75 GLN N . 18620 1 859 . 1 . 1 75 75 GLN NE2 N 15 108.4 0.3 . 1 . . . . . 75 GLN NE2 . 18620 1 860 . 1 . 1 76 76 THR H H 1 8.76 0.02 . 1 . . . . . 76 THR H . 18620 1 861 . 1 . 1 76 76 THR HA H 1 4.48 0.02 . 1 . . . . . 76 THR HA . 18620 1 862 . 1 . 1 76 76 THR HB H 1 4.93 0.02 . 1 . . . . . 76 THR HB . 18620 1 863 . 1 . 1 76 76 THR HG21 H 1 1.41 0.02 . 1 . . . . . 76 THR HG2 . 18620 1 864 . 1 . 1 76 76 THR HG22 H 1 1.41 0.02 . 1 . . . . . 76 THR HG2 . 18620 1 865 . 1 . 1 76 76 THR HG23 H 1 1.41 0.02 . 1 . . . . . 76 THR HG2 . 18620 1 866 . 1 . 1 76 76 THR C C 13 175.3 0.3 . 1 . . . . . 76 THR C . 18620 1 867 . 1 . 1 76 76 THR CA C 13 61.3 0.3 . 1 . . . . . 76 THR CA . 18620 1 868 . 1 . 1 76 76 THR CB C 13 70.8 0.3 . 1 . . . . . 76 THR CB . 18620 1 869 . 1 . 1 76 76 THR CG2 C 13 22.2 0.3 . 1 . . . . . 76 THR CG2 . 18620 1 870 . 1 . 1 76 76 THR N N 15 110.8 0.3 . 1 . . . . . 76 THR N . 18620 1 871 . 1 . 1 77 77 PHE H H 1 8.59 0.02 . 1 . . . . . 77 PHE H . 18620 1 872 . 1 . 1 77 77 PHE HA H 1 4.17 0.02 . 1 . . . . . 77 PHE HA . 18620 1 873 . 1 . 1 77 77 PHE HB2 H 1 3.17 0.02 . 2 . . . . . 77 PHE HB2 . 18620 1 874 . 1 . 1 77 77 PHE HB3 H 1 3.26 0.02 . 2 . . . . . 77 PHE HB3 . 18620 1 875 . 1 . 1 77 77 PHE C C 13 178.1 0.3 . 1 . . . . . 77 PHE C . 18620 1 876 . 1 . 1 77 77 PHE CA C 13 62.0 0.3 . 1 . . . . . 77 PHE CA . 18620 1 877 . 1 . 1 77 77 PHE CB C 13 39.8 0.3 . 1 . . . . . 77 PHE CB . 18620 1 878 . 1 . 1 77 77 PHE CD1 C 13 129.0 0.3 . 1 . . . . . 77 PHE CD1 . 18620 1 879 . 1 . 1 77 77 PHE CE1 C 13 130.5 0.3 . 1 . . . . . 77 PHE CE1 . 18620 1 880 . 1 . 1 77 77 PHE N N 15 121.2 0.3 . 1 . . . . . 77 PHE N . 18620 1 881 . 1 . 1 78 78 LYS H H 1 8.79 0.02 . 1 . . . . . 78 LYS H . 18620 1 882 . 1 . 1 78 78 LYS HA H 1 3.84 0.02 . 1 . . . . . 78 LYS HA . 18620 1 883 . 1 . 1 78 78 LYS HB2 H 1 1.92 0.02 . 2 . . . . . 78 LYS HB2 . 18620 1 884 . 1 . 1 78 78 LYS HB3 H 1 1.82 0.02 . 2 . . . . . 78 LYS HB3 . 18620 1 885 . 1 . 1 78 78 LYS C C 13 177.3 0.3 . 1 . . . . . 78 LYS C . 18620 1 886 . 1 . 1 78 78 LYS CA C 13 59.5 0.3 . 1 . . . . . 78 LYS CA . 18620 1 887 . 1 . 1 78 78 LYS CB C 13 32.4 0.3 . 1 . . . . . 78 LYS CB . 18620 1 888 . 1 . 1 78 78 LYS CG C 13 24.6 0.3 . 1 . . . . . 78 LYS CG . 18620 1 889 . 1 . 1 78 78 LYS CD C 13 28.9 0.3 . 1 . . . . . 78 LYS CD . 18620 1 890 . 1 . 1 78 78 LYS CE C 13 42.2 0.3 . 1 . . . . . 78 LYS CE . 18620 1 891 . 1 . 1 78 78 LYS N N 15 120.9 0.3 . 1 . . . . . 78 LYS N . 18620 1 892 . 1 . 1 79 79 GLN H H 1 7.86 0.02 . 1 . . . . . 79 GLN H . 18620 1 893 . 1 . 1 79 79 GLN HA H 1 4.00 0.02 . 1 . . . . . 79 GLN HA . 18620 1 894 . 1 . 1 79 79 GLN HB2 H 1 1.97 0.02 . 2 . . . . . 79 GLN HB2 . 18620 1 895 . 1 . 1 79 79 GLN HB3 H 1 2.33 0.02 . 2 . . . . . 79 GLN HB3 . 18620 1 896 . 1 . 1 79 79 GLN HG2 H 1 2.21 0.02 . 2 . . . . . 79 GLN HG2 . 18620 1 897 . 1 . 1 79 79 GLN HG3 H 1 2.42 0.02 . 2 . . . . . 79 GLN HG3 . 18620 1 898 . 1 . 1 79 79 GLN HE21 H 1 7.74 0.02 . 1 . . . . . 79 GLN HE21 . 18620 1 899 . 1 . 1 79 79 GLN HE22 H 1 6.90 0.02 . 1 . . . . . 79 GLN HE22 . 18620 1 900 . 1 . 1 79 79 GLN C C 13 178.5 0.3 . 1 . . . . . 79 GLN C . 18620 1 901 . 1 . 1 79 79 GLN CA C 13 59.1 0.3 . 1 . . . . . 79 GLN CA . 18620 1 902 . 1 . 1 79 79 GLN CB C 13 28.4 0.3 . 1 . . . . . 79 GLN CB . 18620 1 903 . 1 . 1 79 79 GLN CG C 13 34.0 0.3 . 1 . . . . . 79 GLN CG . 18620 1 904 . 1 . 1 79 79 GLN N N 15 119.1 0.3 . 1 . . . . . 79 GLN N . 18620 1 905 . 1 . 1 79 79 GLN NE2 N 15 112.8 0.3 . 1 . . . . . 79 GLN NE2 . 18620 1 906 . 1 . 1 80 80 PHE H H 1 8.04 0.02 . 1 . . . . . 80 PHE H . 18620 1 907 . 1 . 1 80 80 PHE HA H 1 4.15 0.02 . 1 . . . . . 80 PHE HA . 18620 1 908 . 1 . 1 80 80 PHE C C 13 176.6 0.3 . 1 . . . . . 80 PHE C . 18620 1 909 . 1 . 1 80 80 PHE CA C 13 59.7 0.3 . 1 . . . . . 80 PHE CA . 18620 1 910 . 1 . 1 80 80 PHE CB C 13 38.7 0.3 . 1 . . . . . 80 PHE CB . 18620 1 911 . 1 . 1 80 80 PHE N N 15 120.2 0.3 . 1 . . . . . 80 PHE N . 18620 1 912 . 1 . 1 81 81 SER H H 1 8.31 0.02 . 1 . . . . . 81 SER H . 18620 1 913 . 1 . 1 81 81 SER HA H 1 4.77 0.02 . 1 . . . . . 81 SER HA . 18620 1 914 . 1 . 1 81 81 SER HB2 H 1 3.39 0.02 . 2 . . . . . 81 SER HB2 . 18620 1 915 . 1 . 1 81 81 SER HB3 H 1 3.58 0.02 . 2 . . . . . 81 SER HB3 . 18620 1 916 . 1 . 1 81 81 SER CA C 13 60.2 0.3 . 1 . . . . . 81 SER CA . 18620 1 917 . 1 . 1 81 81 SER CB C 13 63.1 0.3 . 1 . . . . . 81 SER CB . 18620 1 918 . 1 . 1 81 81 SER N N 15 115.0 0.3 . 1 . . . . . 81 SER N . 18620 1 919 . 1 . 1 82 82 ASP H H 1 8.24 0.02 . 1 . . . . . 82 ASP H . 18620 1 920 . 1 . 1 82 82 ASP HA H 1 4.39 0.02 . 1 . . . . . 82 ASP HA . 18620 1 921 . 1 . 1 82 82 ASP C C 13 177.5 0.3 . 1 . . . . . 82 ASP C . 18620 1 922 . 1 . 1 82 82 ASP CA C 13 55.8 0.3 . 1 . . . . . 82 ASP CA . 18620 1 923 . 1 . 1 82 82 ASP CB C 13 40.5 0.3 . 1 . . . . . 82 ASP CB . 18620 1 924 . 1 . 1 82 82 ASP N N 15 122.0 0.3 . 1 . . . . . 82 ASP N . 18620 1 925 . 1 . 1 83 83 GLU H H 1 7.85 0.02 . 1 . . . . . 83 GLU H . 18620 1 926 . 1 . 1 83 83 GLU HA H 1 4.08 0.02 . 1 . . . . . 83 GLU HA . 18620 1 927 . 1 . 1 83 83 GLU HG2 H 1 2.38 0.02 . 2 . . . . . 83 GLU HG2 . 18620 1 928 . 1 . 1 83 83 GLU HG3 H 1 2.17 0.02 . 2 . . . . . 83 GLU HG3 . 18620 1 929 . 1 . 1 83 83 GLU C C 13 177.4 0.3 . 1 . . . . . 83 GLU C . 18620 1 930 . 1 . 1 83 83 GLU CA C 13 58.0 0.3 . 1 . . . . . 83 GLU CA . 18620 1 931 . 1 . 1 83 83 GLU CB C 13 29.9 0.3 . 1 . . . . . 83 GLU CB . 18620 1 932 . 1 . 1 83 83 GLU CG C 13 36.5 0.3 . 1 . . . . . 83 GLU CG . 18620 1 933 . 1 . 1 83 83 GLU N N 15 119.9 0.3 . 1 . . . . . 83 GLU N . 18620 1 934 . 1 . 1 84 84 LYS H H 1 7.88 0.02 . 1 . . . . . 84 LYS H . 18620 1 935 . 1 . 1 84 84 LYS HA H 1 4.09 0.02 . 1 . . . . . 84 LYS HA . 18620 1 936 . 1 . 1 84 84 LYS C C 13 177.2 0.3 . 1 . . . . . 84 LYS C . 18620 1 937 . 1 . 1 84 84 LYS CA C 13 56.3 0.3 . 1 . . . . . 84 LYS CA . 18620 1 938 . 1 . 1 84 84 LYS CB C 13 31.6 0.3 . 1 . . . . . 84 LYS CB . 18620 1 939 . 1 . 1 84 84 LYS CG C 13 24.6 0.3 . 1 . . . . . 84 LYS CG . 18620 1 940 . 1 . 1 84 84 LYS CD C 13 28.9 0.3 . 1 . . . . . 84 LYS CD . 18620 1 941 . 1 . 1 84 84 LYS CE C 13 42.1 0.3 . 1 . . . . . 84 LYS CE . 18620 1 942 . 1 . 1 84 84 LYS N N 15 120.3 0.3 . 1 . . . . . 84 LYS N . 18620 1 943 . 1 . 1 85 85 LYS H H 1 7.93 0.02 . 1 . . . . . 85 LYS H . 18620 1 944 . 1 . 1 85 85 LYS HA H 1 4.16 0.02 . 1 . . . . . 85 LYS HA . 18620 1 945 . 1 . 1 85 85 LYS HB2 H 1 1.82 0.02 . 2 . . . . . 85 LYS HB2 . 18620 1 946 . 1 . 1 85 85 LYS HB3 H 1 1.75 0.02 . 2 . . . . . 85 LYS HB3 . 18620 1 947 . 1 . 1 85 85 LYS HG2 H 1 1.45 0.02 . 2 . . . . . 85 LYS HG2 . 18620 1 948 . 1 . 1 85 85 LYS HG3 H 1 1.37 0.02 . 2 . . . . . 85 LYS HG3 . 18620 1 949 . 1 . 1 85 85 LYS C C 13 176.9 0.3 . 1 . . . . . 85 LYS C . 18620 1 950 . 1 . 1 85 85 LYS CA C 13 57.5 0.3 . 1 . . . . . 85 LYS CA . 18620 1 951 . 1 . 1 85 85 LYS CB C 13 32.8 0.3 . 1 . . . . . 85 LYS CB . 18620 1 952 . 1 . 1 85 85 LYS CG C 13 24.7 0.3 . 1 . . . . . 85 LYS CG . 18620 1 953 . 1 . 1 85 85 LYS CD C 13 29.0 0.3 . 1 . . . . . 85 LYS CD . 18620 1 954 . 1 . 1 85 85 LYS CE C 13 42.1 0.3 . 1 . . . . . 85 LYS CE . 18620 1 955 . 1 . 1 85 85 LYS N N 15 121.4 0.3 . 1 . . . . . 85 LYS N . 18620 1 956 . 1 . 1 86 86 ASP H H 1 8.17 0.02 . 1 . . . . . 86 ASP H . 18620 1 957 . 1 . 1 86 86 ASP HA H 1 4.54 0.02 . 1 . . . . . 86 ASP HA . 18620 1 958 . 1 . 1 86 86 ASP CA C 13 55.1 0.3 . 1 . . . . . 86 ASP CA . 18620 1 959 . 1 . 1 86 86 ASP CB C 13 41.1 0.3 . 1 . . . . . 86 ASP CB . 18620 1 960 . 1 . 1 86 86 ASP N N 15 119.8 0.3 . 1 . . . . . 86 ASP N . 18620 1 961 . 1 . 1 87 87 GLU HA H 1 4.09 0.02 . 1 . . . . . 87 GLU HA . 18620 1 962 . 1 . 1 87 87 GLU C C 13 176.9 0.3 . 1 . . . . . 87 GLU C . 18620 1 963 . 1 . 1 87 87 GLU CA C 13 57.4 0.3 . 1 . . . . . 87 GLU CA . 18620 1 964 . 1 . 1 87 87 GLU CB C 13 32.5 0.3 . 1 . . . . . 87 GLU CB . 18620 1 965 . 1 . 1 87 87 GLU CG C 13 36.6 0.3 . 1 . . . . . 87 GLU CG . 18620 1 966 . 1 . 1 88 88 LYS H H 1 8.24 0.02 . 1 . . . . . 88 LYS H . 18620 1 967 . 1 . 1 88 88 LYS HA H 1 4.59 0.02 . 1 . . . . . 88 LYS HA . 18620 1 968 . 1 . 1 88 88 LYS HB2 H 1 1.82 0.02 . 2 . . . . . 88 LYS HB2 . 18620 1 969 . 1 . 1 88 88 LYS HB3 H 1 1.86 0.02 . 2 . . . . . 88 LYS HB3 . 18620 1 970 . 1 . 1 88 88 LYS C C 13 177.0 0.3 . 1 . . . . . 88 LYS C . 18620 1 971 . 1 . 1 88 88 LYS CA C 13 54.8 0.3 . 1 . . . . . 88 LYS CA . 18620 1 972 . 1 . 1 88 88 LYS CB C 13 29.9 0.3 . 1 . . . . . 88 LYS CB . 18620 1 973 . 1 . 1 88 88 LYS CG C 13 26.7 0.3 . 1 . . . . . 88 LYS CG . 18620 1 974 . 1 . 1 88 88 LYS CD C 13 28.3 0.3 . 1 . . . . . 88 LYS CD . 18620 1 975 . 1 . 1 88 88 LYS CE C 13 41.1 0.3 . 1 . . . . . 88 LYS CE . 18620 1 976 . 1 . 1 88 88 LYS N N 15 120.1 0.3 . 1 . . . . . 88 LYS N . 18620 1 977 . 1 . 1 89 89 GLU H H 1 8.18 0.02 . 1 . . . . . 89 GLU H . 18620 1 978 . 1 . 1 89 89 GLU HA H 1 4.16 0.02 . 1 . . . . . 89 GLU HA . 18620 1 979 . 1 . 1 89 89 GLU HB2 H 1 2.07 0.02 . 2 . . . . . 89 GLU HB2 . 18620 1 980 . 1 . 1 89 89 GLU HB3 H 1 1.97 0.02 . 2 . . . . . 89 GLU HB3 . 18620 1 981 . 1 . 1 89 89 GLU HG2 H 1 2.29 0.02 . 2 . . . . . 89 GLU HG2 . 18620 1 982 . 1 . 1 89 89 GLU HG3 H 1 2.22 0.02 . 2 . . . . . 89 GLU HG3 . 18620 1 983 . 1 . 1 89 89 GLU C C 13 177.3 0.3 . 1 . . . . . 89 GLU C . 18620 1 984 . 1 . 1 89 89 GLU CA C 13 57.4 0.3 . 1 . . . . . 89 GLU CA . 18620 1 985 . 1 . 1 89 89 GLU CB C 13 30.2 0.3 . 1 . . . . . 89 GLU CB . 18620 1 986 . 1 . 1 89 89 GLU CG C 13 36.3 0.3 . 1 . . . . . 89 GLU CG . 18620 1 987 . 1 . 1 89 89 GLU N N 15 121.0 0.3 . 1 . . . . . 89 GLU N . 18620 1 988 . 1 . 1 90 90 LYS H H 1 8.05 0.02 . 1 . . . . . 90 LYS H . 18620 1 989 . 1 . 1 90 90 LYS HA H 1 4.17 0.02 . 1 . . . . . 90 LYS HA . 18620 1 990 . 1 . 1 90 90 LYS C C 13 176.6 0.3 . 1 . . . . . 90 LYS C . 18620 1 991 . 1 . 1 90 90 LYS CA C 13 56.9 0.3 . 1 . . . . . 90 LYS CA . 18620 1 992 . 1 . 1 90 90 LYS CB C 13 32.9 0.3 . 1 . . . . . 90 LYS CB . 18620 1 993 . 1 . 1 90 90 LYS CG C 13 24.7 0.3 . 1 . . . . . 90 LYS CG . 18620 1 994 . 1 . 1 90 90 LYS CD C 13 29.0 0.3 . 1 . . . . . 90 LYS CD . 18620 1 995 . 1 . 1 90 90 LYS CE C 13 42.2 0.3 . 1 . . . . . 90 LYS CE . 18620 1 996 . 1 . 1 90 90 LYS N N 15 120.7 0.3 . 1 . . . . . 90 LYS N . 18620 1 997 . 1 . 1 91 91 PHE H H 1 8.05 0.02 . 1 . . . . . 91 PHE H . 18620 1 998 . 1 . 1 91 91 PHE HA H 1 4.53 0.02 . 1 . . . . . 91 PHE HA . 18620 1 999 . 1 . 1 91 91 PHE C C 13 175.7 0.3 . 1 . . . . . 91 PHE C . 18620 1 1000 . 1 . 1 91 91 PHE CA C 13 58.2 0.3 . 1 . . . . . 91 PHE CA . 18620 1 1001 . 1 . 1 91 91 PHE CB C 13 39.6 0.3 . 1 . . . . . 91 PHE CB . 18620 1 1002 . 1 . 1 91 91 PHE CD1 C 13 131.0 0.3 . 1 . . . . . 91 PHE CD1 . 18620 1 1003 . 1 . 1 91 91 PHE CE1 C 13 130.1 0.3 . 1 . . . . . 91 PHE CE1 . 18620 1 1004 . 1 . 1 91 91 PHE N N 15 120.1 0.3 . 1 . . . . . 91 PHE N . 18620 1 1005 . 1 . 1 92 92 PHE H H 1 8.10 0.02 . 1 . . . . . 92 PHE H . 18620 1 1006 . 1 . 1 92 92 PHE HA H 1 4.48 0.02 . 1 . . . . . 92 PHE HA . 18620 1 1007 . 1 . 1 92 92 PHE HB2 H 1 3.15 0.02 . 2 . . . . . 92 PHE HB2 . 18620 1 1008 . 1 . 1 92 92 PHE HB3 H 1 2.99 0.02 . 2 . . . . . 92 PHE HB3 . 18620 1 1009 . 1 . 1 92 92 PHE C C 13 175.3 0.3 . 1 . . . . . 92 PHE C . 18620 1 1010 . 1 . 1 92 92 PHE CA C 13 57.8 0.3 . 1 . . . . . 92 PHE CA . 18620 1 1011 . 1 . 1 92 92 PHE CB C 13 39.8 0.3 . 1 . . . . . 92 PHE CB . 18620 1 1012 . 1 . 1 92 92 PHE CD1 C 13 131.9 0.3 . 1 . . . . . 92 PHE CD1 . 18620 1 1013 . 1 . 1 92 92 PHE CE1 C 13 132.0 0.3 . 1 . . . . . 92 PHE CE1 . 18620 1 1014 . 1 . 1 92 92 PHE N N 15 121.1 0.3 . 1 . . . . . 92 PHE N . 18620 1 1015 . 1 . 1 93 93 ALA H H 1 8.15 0.02 . 1 . . . . . 93 ALA H . 18620 1 1016 . 1 . 1 93 93 ALA HA H 1 4.30 0.02 . 1 . . . . . 93 ALA HA . 18620 1 1017 . 1 . 1 93 93 ALA HB1 H 1 1.39 0.02 . 1 . . . . . 93 ALA HB . 18620 1 1018 . 1 . 1 93 93 ALA HB2 H 1 1.39 0.02 . 1 . . . . . 93 ALA HB . 18620 1 1019 . 1 . 1 93 93 ALA HB3 H 1 1.39 0.02 . 1 . . . . . 93 ALA HB . 18620 1 1020 . 1 . 1 93 93 ALA C C 13 177.6 0.3 . 1 . . . . . 93 ALA C . 18620 1 1021 . 1 . 1 93 93 ALA CA C 13 52.5 0.3 . 1 . . . . . 93 ALA CA . 18620 1 1022 . 1 . 1 93 93 ALA CB C 13 19.5 0.3 . 1 . . . . . 93 ALA CB . 18620 1 1023 . 1 . 1 93 93 ALA N N 15 124.9 0.3 . 1 . . . . . 93 ALA N . 18620 1 1024 . 1 . 1 94 94 SER H H 1 8.25 0.02 . 1 . . . . . 94 SER H . 18620 1 1025 . 1 . 1 94 94 SER HA H 1 4.50 0.02 . 1 . . . . . 94 SER HA . 18620 1 1026 . 1 . 1 94 94 SER C C 13 174.9 0.3 . 1 . . . . . 94 SER C . 18620 1 1027 . 1 . 1 94 94 SER CA C 13 58.4 0.3 . 1 . . . . . 94 SER CA . 18620 1 1028 . 1 . 1 94 94 SER CB C 13 63.9 0.3 . 1 . . . . . 94 SER CB . 18620 1 1029 . 1 . 1 94 94 SER N N 15 115.0 0.3 . 1 . . . . . 94 SER N . 18620 1 1030 . 1 . 1 95 95 THR H H 1 8.18 0.02 . 1 . . . . . 95 THR H . 18620 1 1031 . 1 . 1 95 95 THR HA H 1 4.38 0.02 . 1 . . . . . 95 THR HA . 18620 1 1032 . 1 . 1 95 95 THR HB H 1 4.28 0.02 . 1 . . . . . 95 THR HB . 18620 1 1033 . 1 . 1 95 95 THR HG21 H 1 1.18 0.02 . 1 . . . . . 95 THR HG2 . 18620 1 1034 . 1 . 1 95 95 THR HG22 H 1 1.18 0.02 . 1 . . . . . 95 THR HG2 . 18620 1 1035 . 1 . 1 95 95 THR HG23 H 1 1.18 0.02 . 1 . . . . . 95 THR HG2 . 18620 1 1036 . 1 . 1 95 95 THR C C 13 174.5 0.3 . 1 . . . . . 95 THR C . 18620 1 1037 . 1 . 1 95 95 THR CA C 13 61.8 0.3 . 1 . . . . . 95 THR CA . 18620 1 1038 . 1 . 1 95 95 THR CB C 13 69.9 0.3 . 1 . . . . . 95 THR CB . 18620 1 1039 . 1 . 1 95 95 THR CG2 C 13 21.3 0.3 . 1 . . . . . 95 THR CG2 . 18620 1 1040 . 1 . 1 95 95 THR N N 15 115.1 0.3 . 1 . . . . . 95 THR N . 18620 1 1041 . 1 . 1 96 96 ASN H H 1 8.39 0.02 . 1 . . . . . 96 ASN H . 18620 1 1042 . 1 . 1 96 96 ASN HA H 1 4.58 0.02 . 1 . . . . . 96 ASN HA . 18620 1 1043 . 1 . 1 96 96 ASN HD21 H 1 7.52 0.02 . 1 . . . . . 96 ASN HD21 . 18620 1 1044 . 1 . 1 96 96 ASN HD22 H 1 6.86 0.02 . 1 . . . . . 96 ASN HD22 . 18620 1 1045 . 1 . 1 96 96 ASN CA C 13 53.4 0.3 . 1 . . . . . 96 ASN CA . 18620 1 1046 . 1 . 1 96 96 ASN CB C 13 39.3 0.3 . 1 . . . . . 96 ASN CB . 18620 1 1047 . 1 . 1 96 96 ASN N N 15 120.6 0.3 . 1 . . . . . 96 ASN N . 18620 1 1048 . 1 . 1 96 96 ASN ND2 N 15 112.4 0.3 . 1 . . . . . 96 ASN ND2 . 18620 1 1049 . 1 . 1 97 97 GLY H H 1 8.30 0.02 . 1 . . . . . 97 GLY H . 18620 1 1050 . 1 . 1 97 97 GLY C C 13 174.0 0.3 . 1 . . . . . 97 GLY C . 18620 1 1051 . 1 . 1 97 97 GLY CA C 13 45.6 0.3 . 1 . . . . . 97 GLY CA . 18620 1 1052 . 1 . 1 97 97 GLY N N 15 109.0 0.3 . 1 . . . . . 97 GLY N . 18620 1 1053 . 1 . 1 98 98 ASP H H 1 8.22 0.02 . 1 . . . . . 98 ASP H . 18620 1 1054 . 1 . 1 98 98 ASP HA H 1 4.53 0.02 . 1 . . . . . 98 ASP HA . 18620 1 1055 . 1 . 1 98 98 ASP C C 13 176.4 0.3 . 1 . . . . . 98 ASP C . 18620 1 1056 . 1 . 1 98 98 ASP CA C 13 54.5 0.3 . 1 . . . . . 98 ASP CA . 18620 1 1057 . 1 . 1 98 98 ASP CB C 13 41.3 0.3 . 1 . . . . . 98 ASP CB . 18620 1 1058 . 1 . 1 98 98 ASP N N 15 120.3 0.3 . 1 . . . . . 98 ASP N . 18620 1 1059 . 1 . 1 99 99 LYS H H 1 8.23 0.02 . 1 . . . . . 99 LYS H . 18620 1 1060 . 1 . 1 99 99 LYS HA H 1 4.78 0.02 . 1 . . . . . 99 LYS HA . 18620 1 1061 . 1 . 1 99 99 LYS HB2 H 1 1.82 0.02 . 2 . . . . . 99 LYS HB2 . 18620 1 1062 . 1 . 1 99 99 LYS HB3 H 1 1.75 0.02 . 2 . . . . . 99 LYS HB3 . 18620 1 1063 . 1 . 1 99 99 LYS C C 13 176.5 0.3 . 1 . . . . . 99 LYS C . 18620 1 1064 . 1 . 1 99 99 LYS CA C 13 56.3 0.3 . 1 . . . . . 99 LYS CA . 18620 1 1065 . 1 . 1 99 99 LYS CB C 13 32.9 0.3 . 1 . . . . . 99 LYS CB . 18620 1 1066 . 1 . 1 99 99 LYS CG C 13 24.4 0.3 . 1 . . . . . 99 LYS CG . 18620 1 1067 . 1 . 1 99 99 LYS CD C 13 30.2 0.3 . 1 . . . . . 99 LYS CD . 18620 1 1068 . 1 . 1 99 99 LYS N N 15 120.9 0.3 . 1 . . . . . 99 LYS N . 18620 1 stop_ save_