data_18693 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18693 _Entry.Title ; 1H, 13C, and 15N resonance assignments of mouse peptide ESP4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-31 _Entry.Accession_date 2012-08-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Masahiro Taniguchi . . . 18693 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18693 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 18693 '15N chemical shifts' 100 18693 '1H chemical shifts' 645 18693 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-13 2012-08-31 update BMRB 'update entry citation' 18693 1 . . 2013-02-12 2012-08-31 original author 'original release' 18693 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18693 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23179060 _Citation.Full_citation . _Citation.Title 'Backbone and side-chain H, 15N and 13C assignments of mouse peptide ESP4.' _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 7 _Citation.Page_last 9 _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.Entry_ID _Citation_author.Citation_ID 1 Masahiro Taniguchi . . . 18693 1 2 Sosuke Yoshinaga . . . 18693 1 3 Sachiko Haga-Yamanaka . . . 18693 1 4 Kazushige Touhara . . . 18693 1 5 Hiroaki Terasawa . . . 18693 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18693 _Assembly.ID 1 _Assembly.Name 'Exocrine gland-secreting peptide 4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Exocrine gland-secreting peptide 4' 1 $ESP4 A . yes native no no . . . 18693 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 ESP4 1 CYS 47 47 SG . 1 ESP4 1 CYS 79 79 SG 1 ESP4 79 CYS SG 1 ESP4 47 CYS SG 18693 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ESP4 _Entity.Sf_category entity _Entity.Sf_framecode ESP4 _Entity.Entry_ID 18693 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ESP4 _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 ; GSGRVLTQTGKETTMSADHK TNHKADLEKNDSQGERNTQE AFEMILCAFNQEKMLLKDQA NSGQHELKLSKFFTALSKCG AQNYQVDTVNYRIIPHIYPL HSPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAF92721 . "exocrine gland-secreting peptide 4 [Mus musculus]" . . . . . 98.08 117 100.00 100.00 9.07e-70 . . . . 18693 1 2 no REF NP_001171054 . "exocrine gland-secreting peptide 4 precursor [Mus musculus]" . . . . . 98.08 117 100.00 100.00 9.07e-70 . . . . 18693 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 . 18693 1 2 . SER . 18693 1 3 . GLY . 18693 1 4 . ARG . 18693 1 5 . VAL . 18693 1 6 . LEU . 18693 1 7 . THR . 18693 1 8 . GLN . 18693 1 9 . THR . 18693 1 10 . GLY . 18693 1 11 . LYS . 18693 1 12 . GLU . 18693 1 13 . THR . 18693 1 14 . THR . 18693 1 15 . MET . 18693 1 16 . SER . 18693 1 17 . ALA . 18693 1 18 . ASP . 18693 1 19 . HIS . 18693 1 20 . LYS . 18693 1 21 . THR . 18693 1 22 . ASN . 18693 1 23 . HIS . 18693 1 24 . LYS . 18693 1 25 . ALA . 18693 1 26 . ASP . 18693 1 27 . LEU . 18693 1 28 . GLU . 18693 1 29 . LYS . 18693 1 30 . ASN . 18693 1 31 . ASP . 18693 1 32 . SER . 18693 1 33 . GLN . 18693 1 34 . GLY . 18693 1 35 . GLU . 18693 1 36 . ARG . 18693 1 37 . ASN . 18693 1 38 . THR . 18693 1 39 . GLN . 18693 1 40 . GLU . 18693 1 41 . ALA . 18693 1 42 . PHE . 18693 1 43 . GLU . 18693 1 44 . MET . 18693 1 45 . ILE . 18693 1 46 . LEU . 18693 1 47 . CYS . 18693 1 48 . ALA . 18693 1 49 . PHE . 18693 1 50 . ASN . 18693 1 51 . GLN . 18693 1 52 . GLU . 18693 1 53 . LYS . 18693 1 54 . MET . 18693 1 55 . LEU . 18693 1 56 . LEU . 18693 1 57 . LYS . 18693 1 58 . ASP . 18693 1 59 . GLN . 18693 1 60 . ALA . 18693 1 61 . ASN . 18693 1 62 . SER . 18693 1 63 . GLY . 18693 1 64 . GLN . 18693 1 65 . HIS . 18693 1 66 . GLU . 18693 1 67 . LEU . 18693 1 68 . LYS . 18693 1 69 . LEU . 18693 1 70 . SER . 18693 1 71 . LYS . 18693 1 72 . PHE . 18693 1 73 . PHE . 18693 1 74 . THR . 18693 1 75 . ALA . 18693 1 76 . LEU . 18693 1 77 . SER . 18693 1 78 . LYS . 18693 1 79 . CYS . 18693 1 80 . GLY . 18693 1 81 . ALA . 18693 1 82 . GLN . 18693 1 83 . ASN . 18693 1 84 . TYR . 18693 1 85 . GLN . 18693 1 86 . VAL . 18693 1 87 . ASP . 18693 1 88 . THR . 18693 1 89 . VAL . 18693 1 90 . ASN . 18693 1 91 . TYR . 18693 1 92 . ARG . 18693 1 93 . ILE . 18693 1 94 . ILE . 18693 1 95 . PRO . 18693 1 96 . HIS . 18693 1 97 . ILE . 18693 1 98 . TYR . 18693 1 99 . PRO . 18693 1 100 . LEU . 18693 1 101 . HIS . 18693 1 102 . SER . 18693 1 103 . PRO . 18693 1 104 . LYS . 18693 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 18693 1 . SER 2 2 18693 1 . GLY 3 3 18693 1 . ARG 4 4 18693 1 . VAL 5 5 18693 1 . LEU 6 6 18693 1 . THR 7 7 18693 1 . GLN 8 8 18693 1 . THR 9 9 18693 1 . GLY 10 10 18693 1 . LYS 11 11 18693 1 . GLU 12 12 18693 1 . THR 13 13 18693 1 . THR 14 14 18693 1 . MET 15 15 18693 1 . SER 16 16 18693 1 . ALA 17 17 18693 1 . ASP 18 18 18693 1 . HIS 19 19 18693 1 . LYS 20 20 18693 1 . THR 21 21 18693 1 . ASN 22 22 18693 1 . HIS 23 23 18693 1 . LYS 24 24 18693 1 . ALA 25 25 18693 1 . ASP 26 26 18693 1 . LEU 27 27 18693 1 . GLU 28 28 18693 1 . LYS 29 29 18693 1 . ASN 30 30 18693 1 . ASP 31 31 18693 1 . SER 32 32 18693 1 . GLN 33 33 18693 1 . GLY 34 34 18693 1 . GLU 35 35 18693 1 . ARG 36 36 18693 1 . ASN 37 37 18693 1 . THR 38 38 18693 1 . GLN 39 39 18693 1 . GLU 40 40 18693 1 . ALA 41 41 18693 1 . PHE 42 42 18693 1 . GLU 43 43 18693 1 . MET 44 44 18693 1 . ILE 45 45 18693 1 . LEU 46 46 18693 1 . CYS 47 47 18693 1 . ALA 48 48 18693 1 . PHE 49 49 18693 1 . ASN 50 50 18693 1 . GLN 51 51 18693 1 . GLU 52 52 18693 1 . LYS 53 53 18693 1 . MET 54 54 18693 1 . LEU 55 55 18693 1 . LEU 56 56 18693 1 . LYS 57 57 18693 1 . ASP 58 58 18693 1 . GLN 59 59 18693 1 . ALA 60 60 18693 1 . ASN 61 61 18693 1 . SER 62 62 18693 1 . GLY 63 63 18693 1 . GLN 64 64 18693 1 . HIS 65 65 18693 1 . GLU 66 66 18693 1 . LEU 67 67 18693 1 . LYS 68 68 18693 1 . LEU 69 69 18693 1 . SER 70 70 18693 1 . LYS 71 71 18693 1 . PHE 72 72 18693 1 . PHE 73 73 18693 1 . THR 74 74 18693 1 . ALA 75 75 18693 1 . LEU 76 76 18693 1 . SER 77 77 18693 1 . LYS 78 78 18693 1 . CYS 79 79 18693 1 . GLY 80 80 18693 1 . ALA 81 81 18693 1 . GLN 82 82 18693 1 . ASN 83 83 18693 1 . TYR 84 84 18693 1 . GLN 85 85 18693 1 . VAL 86 86 18693 1 . ASP 87 87 18693 1 . THR 88 88 18693 1 . VAL 89 89 18693 1 . ASN 90 90 18693 1 . TYR 91 91 18693 1 . ARG 92 92 18693 1 . ILE 93 93 18693 1 . ILE 94 94 18693 1 . PRO 95 95 18693 1 . HIS 96 96 18693 1 . ILE 97 97 18693 1 . TYR 98 98 18693 1 . PRO 99 99 18693 1 . LEU 100 100 18693 1 . HIS 101 101 18693 1 . SER 102 102 18693 1 . PRO 103 103 18693 1 . LYS 104 104 18693 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 18693 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ESP4 . 10090 organism . 'Mus musculus' 'House Mouse' . . Eukaryota Metazoa Mus musculus BALB/C . . . . . . . . . . . . . . . . . . . . 18693 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 18693 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ESP4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28A . . . . . . 18693 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18693 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100uM [U-13C; U-15N] ESP4' _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 ESP4 '[U-100% 13C; U-100% 15N]' . . 1 $ESP4 . . 100 . . uM . . . . 18693 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18693 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18693 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18693 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100uM [U-15N] ESP4' _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 ESP4 '[U-100% 15N]' . . 1 $ESP4 . . 100 . . uM . . . . 18693 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18693 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18693 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18693 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100uM [U-13C; U-15N] ESP4' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ESP4 '[U-100% 13C; U-100% 15N]' . . 1 $ESP4 . . 100 . . uM . . . . 18693 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18693 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18693 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.5 . pH 18693 1 pressure 1 . atm 18693 1 temperature 308.15 . K 18693 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18693 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18693 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18693 1 'peak picking' 18693 1 processing 18693 1 stop_ save_ save_OLIVIA _Software.Sf_category software _Software.Sf_framecode OLIVIA _Software.Entry_ID 18693 _Software.ID 2 _Software.Name Olivia _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yokochi, Sekiguchi and Inagaki' . . 18693 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18693 2 'chemical shift calculation' 18693 2 'data analysis' 18693 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18693 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18693 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18693 3 'data analysis' 18693 3 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 18693 _NMR_spectrometer.ID 1 _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 18693 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18693 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 18693 _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 . . . . . . . . . . . . . . . . 18693 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18693 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18693 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18693 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18693 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18693 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18693 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18693 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18693 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18693 1 11 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18693 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18693 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 18693 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18693 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18693 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18693 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 18693 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18693 1 2 '2D 1H-13C HSQC' . . . 18693 1 3 '2D 1H-13C HSQC aliphatic' . . . 18693 1 4 '3D CBCA(CO)NH' . . . 18693 1 5 '3D HNCO' . . . 18693 1 6 '3D HN(CO)CA' . . . 18693 1 7 '3D HNCACB' . . . 18693 1 9 '3D C(CO)NH' . . . 18693 1 10 '3D HBHA(CO)NH' . . . 18693 1 11 '3D H(CCO)NH' . . . 18693 1 12 '3D HCCH-TOCSY' . . . 18693 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.944 0.002 . 2 . . . . 1 GLY HA2 . 18693 1 2 . 1 1 1 1 GLY HA3 H 1 3.944 0.002 . 2 . . . . 1 GLY HA3 . 18693 1 3 . 1 1 1 1 GLY C C 13 169.941 0.000 . 1 . . . . 1 GLY C . 18693 1 4 . 1 1 1 1 GLY CA C 13 43.129 0.030 . 1 . . . . 1 GLY CA . 18693 1 5 . 1 1 2 2 SER H H 1 8.656 0.004 . 1 . . . . 2 SER H . 18693 1 6 . 1 1 2 2 SER HA H 1 4.549 0.015 . 1 . . . . 2 SER HA . 18693 1 7 . 1 1 2 2 SER HB2 H 1 3.926 0.000 . 2 . . . . 2 SER HB2 . 18693 1 8 . 1 1 2 2 SER HB3 H 1 3.926 0.000 . 2 . . . . 2 SER HB3 . 18693 1 9 . 1 1 2 2 SER C C 13 174.487 0.053 . 1 . . . . 2 SER C . 18693 1 10 . 1 1 2 2 SER CA C 13 57.946 0.088 . 1 . . . . 2 SER CA . 18693 1 11 . 1 1 2 2 SER CB C 13 63.687 0.044 . 1 . . . . 2 SER CB . 18693 1 12 . 1 1 2 2 SER N N 15 115.998 0.053 . 1 . . . . 2 SER N . 18693 1 13 . 1 1 3 3 GLY H H 1 8.485 0.004 . 1 . . . . 3 GLY H . 18693 1 14 . 1 1 3 3 GLY HA2 H 1 4.009 0.001 . 2 . . . . 3 GLY HA2 . 18693 1 15 . 1 1 3 3 GLY HA3 H 1 4.009 0.001 . 2 . . . . 3 GLY HA3 . 18693 1 16 . 1 1 3 3 GLY C C 13 173.375 0.057 . 1 . . . . 3 GLY C . 18693 1 17 . 1 1 3 3 GLY CA C 13 44.879 0.035 . 1 . . . . 3 GLY CA . 18693 1 18 . 1 1 3 3 GLY N N 15 111.214 0.057 . 1 . . . . 3 GLY N . 18693 1 19 . 1 1 4 4 ARG H H 1 8.170 0.003 . 1 . . . . 4 ARG H . 18693 1 20 . 1 1 4 4 ARG HA H 1 4.395 0.001 . 1 . . . . 4 ARG HA . 18693 1 21 . 1 1 4 4 ARG HB2 H 1 1.828 0.000 . 1 . . . . 4 ARG HB2 . 18693 1 22 . 1 1 4 4 ARG HB3 H 1 1.758 0.001 . 1 . . . . 4 ARG HB3 . 18693 1 23 . 1 1 4 4 ARG HG2 H 1 1.627 0.000 . 2 . . . . 4 ARG HG2 . 18693 1 24 . 1 1 4 4 ARG HG3 H 1 1.627 0.000 . 2 . . . . 4 ARG HG3 . 18693 1 25 . 1 1 4 4 ARG HD2 H 1 3.219 0.000 . 2 . . . . 4 ARG HD2 . 18693 1 26 . 1 1 4 4 ARG HD3 H 1 3.219 0.000 . 2 . . . . 4 ARG HD3 . 18693 1 27 . 1 1 4 4 ARG C C 13 175.726 0.000 . 1 . . . . 4 ARG C . 18693 1 28 . 1 1 4 4 ARG CA C 13 55.671 0.033 . 1 . . . . 4 ARG CA . 18693 1 29 . 1 1 4 4 ARG CB C 13 30.686 0.067 . 1 . . . . 4 ARG CB . 18693 1 30 . 1 1 4 4 ARG CG C 13 26.685 0.000 . 1 . . . . 4 ARG CG . 18693 1 31 . 1 1 4 4 ARG CD C 13 43.048 0.000 . 1 . . . . 4 ARG CD . 18693 1 32 . 1 1 4 4 ARG N N 15 121.234 0.000 . 1 . . . . 4 ARG N . 18693 1 33 . 1 1 5 5 VAL H H 1 8.222 0.003 . 1 . . . . 5 VAL H . 18693 1 34 . 1 1 5 5 VAL HA H 1 4.104 0.024 . 1 . . . . 5 VAL HA . 18693 1 35 . 1 1 5 5 VAL HB H 1 2.064 0.000 . 1 . . . . 5 VAL HB . 18693 1 36 . 1 1 5 5 VAL HG11 H 1 0.941 0.000 . 1 . . . . 5 VAL HG1 . 18693 1 37 . 1 1 5 5 VAL HG12 H 1 0.941 0.000 . 1 . . . . 5 VAL HG1 . 18693 1 38 . 1 1 5 5 VAL HG13 H 1 0.941 0.000 . 1 . . . . 5 VAL HG1 . 18693 1 39 . 1 1 5 5 VAL HG21 H 1 0.925 0.000 . 1 . . . . 5 VAL HG2 . 18693 1 40 . 1 1 5 5 VAL HG22 H 1 0.925 0.000 . 1 . . . . 5 VAL HG2 . 18693 1 41 . 1 1 5 5 VAL HG23 H 1 0.925 0.000 . 1 . . . . 5 VAL HG2 . 18693 1 42 . 1 1 5 5 VAL C C 13 175.669 0.000 . 1 . . . . 5 VAL C . 18693 1 43 . 1 1 5 5 VAL CA C 13 61.924 0.004 . 1 . . . . 5 VAL CA . 18693 1 44 . 1 1 5 5 VAL CB C 13 32.405 0.000 . 1 . . . . 5 VAL CB . 18693 1 45 . 1 1 5 5 VAL CG1 C 13 20.279 0.000 . 1 . . . . 5 VAL CG1 . 18693 1 46 . 1 1 5 5 VAL CG2 C 13 20.860 0.000 . 1 . . . . 5 VAL CG2 . 18693 1 47 . 1 1 5 5 VAL N N 15 122.912 0.000 . 1 . . . . 5 VAL N . 18693 1 48 . 1 1 6 6 LEU H H 1 8.413 0.005 . 1 . . . . 6 LEU H . 18693 1 49 . 1 1 6 6 LEU HA H 1 4.487 0.001 . 1 . . . . 6 LEU HA . 18693 1 50 . 1 1 6 6 LEU HB2 H 1 1.651 0.002 . 2 . . . . 6 LEU HB2 . 18693 1 51 . 1 1 6 6 LEU HB3 H 1 1.651 0.002 . 2 . . . . 6 LEU HB3 . 18693 1 52 . 1 1 6 6 LEU HG H 1 1.521 0.000 . 1 . . . . 6 LEU HG . 18693 1 53 . 1 1 6 6 LEU HD11 H 1 0.935 0.017 . 1 . . . . 6 LEU HD1 . 18693 1 54 . 1 1 6 6 LEU HD12 H 1 0.935 0.017 . 1 . . . . 6 LEU HD1 . 18693 1 55 . 1 1 6 6 LEU HD13 H 1 0.935 0.017 . 1 . . . . 6 LEU HD1 . 18693 1 56 . 1 1 6 6 LEU HD21 H 1 0.882 0.000 . 1 . . . . 6 LEU HD2 . 18693 1 57 . 1 1 6 6 LEU HD22 H 1 0.882 0.000 . 1 . . . . 6 LEU HD2 . 18693 1 58 . 1 1 6 6 LEU HD23 H 1 0.882 0.000 . 1 . . . . 6 LEU HD2 . 18693 1 59 . 1 1 6 6 LEU C C 13 176.936 0.004 . 1 . . . . 6 LEU C . 18693 1 60 . 1 1 6 6 LEU CA C 13 54.637 0.069 . 1 . . . . 6 LEU CA . 18693 1 61 . 1 1 6 6 LEU CB C 13 42.054 0.017 . 1 . . . . 6 LEU CB . 18693 1 62 . 1 1 6 6 LEU CG C 13 26.644 0.000 . 1 . . . . 6 LEU CG . 18693 1 63 . 1 1 6 6 LEU CD1 C 13 24.534 0.012 . 1 . . . . 6 LEU CD1 . 18693 1 64 . 1 1 6 6 LEU CD2 C 13 23.140 0.000 . 1 . . . . 6 LEU CD2 . 18693 1 65 . 1 1 6 6 LEU N N 15 127.302 0.004 . 1 . . . . 6 LEU N . 18693 1 66 . 1 1 7 7 THR H H 1 8.047 0.004 . 1 . . . . 7 THR H . 18693 1 67 . 1 1 7 7 THR HA H 1 4.360 0.001 . 1 . . . . 7 THR HA . 18693 1 68 . 1 1 7 7 THR HB H 1 4.199 0.026 . 1 . . . . 7 THR HB . 18693 1 69 . 1 1 7 7 THR HG21 H 1 1.222 0.000 . 1 . . . . 7 THR HG2 . 18693 1 70 . 1 1 7 7 THR HG22 H 1 1.222 0.000 . 1 . . . . 7 THR HG2 . 18693 1 71 . 1 1 7 7 THR HG23 H 1 1.222 0.000 . 1 . . . . 7 THR HG2 . 18693 1 72 . 1 1 7 7 THR C C 13 173.982 0.025 . 1 . . . . 7 THR C . 18693 1 73 . 1 1 7 7 THR CA C 13 61.417 0.060 . 1 . . . . 7 THR CA . 18693 1 74 . 1 1 7 7 THR CB C 13 69.470 0.041 . 1 . . . . 7 THR CB . 18693 1 75 . 1 1 7 7 THR CG2 C 13 21.329 0.000 . 1 . . . . 7 THR CG2 . 18693 1 76 . 1 1 7 7 THR N N 15 115.561 0.025 . 1 . . . . 7 THR N . 18693 1 77 . 1 1 8 8 GLN H H 1 8.423 0.005 . 1 . . . . 8 GLN H . 18693 1 78 . 1 1 8 8 GLN HA H 1 4.491 0.001 . 1 . . . . 8 GLN HA . 18693 1 79 . 1 1 8 8 GLN HB2 H 1 2.167 0.000 . 1 . . . . 8 GLN HB2 . 18693 1 80 . 1 1 8 8 GLN HB3 H 1 2.030 0.000 . 1 . . . . 8 GLN HB3 . 18693 1 81 . 1 1 8 8 GLN HG2 H 1 2.400 0.000 . 2 . . . . 8 GLN HG2 . 18693 1 82 . 1 1 8 8 GLN HG3 H 1 2.400 0.000 . 2 . . . . 8 GLN HG3 . 18693 1 83 . 1 1 8 8 GLN C C 13 175.701 0.008 . 1 . . . . 8 GLN C . 18693 1 84 . 1 1 8 8 GLN CA C 13 55.429 0.000 . 1 . . . . 8 GLN CA . 18693 1 85 . 1 1 8 8 GLN CB C 13 29.165 0.050 . 1 . . . . 8 GLN CB . 18693 1 86 . 1 1 8 8 GLN CG C 13 33.482 0.000 . 1 . . . . 8 GLN CG . 18693 1 87 . 1 1 8 8 GLN N N 15 123.159 0.008 . 1 . . . . 8 GLN N . 18693 1 88 . 1 1 9 9 THR H H 1 8.244 0.007 . 1 . . . . 9 THR H . 18693 1 89 . 1 1 9 9 THR HA H 1 4.376 0.002 . 1 . . . . 9 THR HA . 18693 1 90 . 1 1 9 9 THR HB H 1 4.273 0.001 . 1 . . . . 9 THR HB . 18693 1 91 . 1 1 9 9 THR HG21 H 1 1.243 0.000 . 1 . . . . 9 THR HG2 . 18693 1 92 . 1 1 9 9 THR HG22 H 1 1.243 0.000 . 1 . . . . 9 THR HG2 . 18693 1 93 . 1 1 9 9 THR HG23 H 1 1.243 0.000 . 1 . . . . 9 THR HG2 . 18693 1 94 . 1 1 9 9 THR C C 13 174.830 0.009 . 1 . . . . 9 THR C . 18693 1 95 . 1 1 9 9 THR CA C 13 61.734 0.152 . 1 . . . . 9 THR CA . 18693 1 96 . 1 1 9 9 THR CB C 13 69.470 0.035 . 1 . . . . 9 THR CB . 18693 1 97 . 1 1 9 9 THR CG2 C 13 21.233 0.000 . 1 . . . . 9 THR CG2 . 18693 1 98 . 1 1 9 9 THR N N 15 115.590 0.009 . 1 . . . . 9 THR N . 18693 1 99 . 1 1 10 10 GLY H H 1 8.437 0.004 . 1 . . . . 10 GLY H . 18693 1 100 . 1 1 10 10 GLY HA2 H 1 4.024 0.001 . 2 . . . . 10 GLY HA2 . 18693 1 101 . 1 1 10 10 GLY HA3 H 1 4.024 0.001 . 2 . . . . 10 GLY HA3 . 18693 1 102 . 1 1 10 10 GLY C C 13 173.705 0.025 . 1 . . . . 10 GLY C . 18693 1 103 . 1 1 10 10 GLY CA C 13 45.062 0.031 . 1 . . . . 10 GLY CA . 18693 1 104 . 1 1 10 10 GLY N N 15 111.608 0.025 . 1 . . . . 10 GLY N . 18693 1 105 . 1 1 11 11 LYS H H 1 8.133 0.003 . 1 . . . . 11 LYS H . 18693 1 106 . 1 1 11 11 LYS HA H 1 4.378 0.000 . 1 . . . . 11 LYS HA . 18693 1 107 . 1 1 11 11 LYS HB2 H 1 1.873 0.006 . 1 . . . . 11 LYS HB2 . 18693 1 108 . 1 1 11 11 LYS HB3 H 1 1.762 0.004 . 1 . . . . 11 LYS HB3 . 18693 1 109 . 1 1 11 11 LYS HG2 H 1 1.436 0.000 . 2 . . . . 11 LYS HG2 . 18693 1 110 . 1 1 11 11 LYS HG3 H 1 1.436 0.000 . 2 . . . . 11 LYS HG3 . 18693 1 111 . 1 1 11 11 LYS HD2 H 1 1.697 0.000 . 2 . . . . 11 LYS HD2 . 18693 1 112 . 1 1 11 11 LYS HD3 H 1 1.697 0.000 . 2 . . . . 11 LYS HD3 . 18693 1 113 . 1 1 11 11 LYS HE2 H 1 3.022 0.000 . 2 . . . . 11 LYS HE2 . 18693 1 114 . 1 1 11 11 LYS HE3 H 1 3.022 0.000 . 2 . . . . 11 LYS HE3 . 18693 1 115 . 1 1 11 11 LYS C C 13 176.291 0.001 . 1 . . . . 11 LYS C . 18693 1 116 . 1 1 11 11 LYS CA C 13 55.910 0.037 . 1 . . . . 11 LYS CA . 18693 1 117 . 1 1 11 11 LYS CB C 13 32.851 0.106 . 1 . . . . 11 LYS CB . 18693 1 118 . 1 1 11 11 LYS CG C 13 24.366 0.000 . 1 . . . . 11 LYS CG . 18693 1 119 . 1 1 11 11 LYS CD C 13 28.678 0.000 . 1 . . . . 11 LYS CD . 18693 1 120 . 1 1 11 11 LYS CE C 13 41.801 0.000 . 1 . . . . 11 LYS CE . 18693 1 121 . 1 1 11 11 LYS N N 15 120.971 0.001 . 1 . . . . 11 LYS N . 18693 1 122 . 1 1 12 12 GLU H H 1 8.480 0.007 . 1 . . . . 12 GLU H . 18693 1 123 . 1 1 12 12 GLU HA H 1 4.440 0.005 . 1 . . . . 12 GLU HA . 18693 1 124 . 1 1 12 12 GLU HB2 H 1 2.143 0.000 . 1 . . . . 12 GLU HB2 . 18693 1 125 . 1 1 12 12 GLU HB3 H 1 2.031 0.000 . 1 . . . . 12 GLU HB3 . 18693 1 126 . 1 1 12 12 GLU HG2 H 1 2.413 0.000 . 2 . . . . 12 GLU HG2 . 18693 1 127 . 1 1 12 12 GLU HG3 H 1 2.413 0.000 . 2 . . . . 12 GLU HG3 . 18693 1 128 . 1 1 12 12 GLU C C 13 176.209 0.027 . 1 . . . . 12 GLU C . 18693 1 129 . 1 1 12 12 GLU CA C 13 55.754 0.000 . 1 . . . . 12 GLU CA . 18693 1 130 . 1 1 12 12 GLU CB C 13 29.056 0.000 . 1 . . . . 12 GLU CB . 18693 1 131 . 1 1 12 12 GLU CG C 13 34.234 0.000 . 1 . . . . 12 GLU CG . 18693 1 132 . 1 1 12 12 GLU N N 15 121.948 0.027 . 1 . . . . 12 GLU N . 18693 1 133 . 1 1 13 13 THR H H 1 8.239 0.004 . 1 . . . . 13 THR H . 18693 1 134 . 1 1 13 13 THR HA H 1 4.434 0.004 . 1 . . . . 13 THR HA . 18693 1 135 . 1 1 13 13 THR HB H 1 4.279 0.004 . 1 . . . . 13 THR HB . 18693 1 136 . 1 1 13 13 THR HG21 H 1 1.240 0.000 . 1 . . . . 13 THR HG2 . 18693 1 137 . 1 1 13 13 THR HG22 H 1 1.240 0.000 . 1 . . . . 13 THR HG2 . 18693 1 138 . 1 1 13 13 THR HG23 H 1 1.240 0.000 . 1 . . . . 13 THR HG2 . 18693 1 139 . 1 1 13 13 THR C C 13 174.388 0.032 . 1 . . . . 13 THR C . 18693 1 140 . 1 1 13 13 THR CA C 13 61.647 0.074 . 1 . . . . 13 THR CA . 18693 1 141 . 1 1 13 13 THR CB C 13 69.396 0.035 . 1 . . . . 13 THR CB . 18693 1 142 . 1 1 13 13 THR CG2 C 13 21.234 0.000 . 1 . . . . 13 THR CG2 . 18693 1 143 . 1 1 13 13 THR N N 15 115.697 0.032 . 1 . . . . 13 THR N . 18693 1 144 . 1 1 14 14 THR H H 1 8.119 0.005 . 1 . . . . 14 THR H . 18693 1 145 . 1 1 14 14 THR HA H 1 4.375 0.003 . 1 . . . . 14 THR HA . 18693 1 146 . 1 1 14 14 THR HB H 1 4.252 0.003 . 1 . . . . 14 THR HB . 18693 1 147 . 1 1 14 14 THR HG21 H 1 1.238 0.000 . 1 . . . . 14 THR HG2 . 18693 1 148 . 1 1 14 14 THR HG22 H 1 1.238 0.000 . 1 . . . . 14 THR HG2 . 18693 1 149 . 1 1 14 14 THR HG23 H 1 1.238 0.000 . 1 . . . . 14 THR HG2 . 18693 1 150 . 1 1 14 14 THR C C 13 174.149 0.033 . 1 . . . . 14 THR C . 18693 1 151 . 1 1 14 14 THR CA C 13 61.731 0.059 . 1 . . . . 14 THR CA . 18693 1 152 . 1 1 14 14 THR CB C 13 69.348 0.069 . 1 . . . . 14 THR CB . 18693 1 153 . 1 1 14 14 THR CG2 C 13 21.329 0.000 . 1 . . . . 14 THR CG2 . 18693 1 154 . 1 1 14 14 THR N N 15 116.686 0.033 . 1 . . . . 14 THR N . 18693 1 155 . 1 1 15 15 MET H H 1 8.344 0.004 . 1 . . . . 15 MET H . 18693 1 156 . 1 1 15 15 MET HA H 1 4.535 0.015 . 1 . . . . 15 MET HA . 18693 1 157 . 1 1 15 15 MET HB2 H 1 2.120 0.001 . 1 . . . . 15 MET HB2 . 18693 1 158 . 1 1 15 15 MET HB3 H 1 2.039 0.004 . 1 . . . . 15 MET HB3 . 18693 1 159 . 1 1 15 15 MET HG2 H 1 2.660 0.000 . 1 . . . . 15 MET HG2 . 18693 1 160 . 1 1 15 15 MET HG3 H 1 2.588 0.000 . 1 . . . . 15 MET HG3 . 18693 1 161 . 1 1 15 15 MET HE1 H 1 2.092 0.000 . 1 . . . . 15 MET HE . 18693 1 162 . 1 1 15 15 MET HE2 H 1 2.092 0.000 . 1 . . . . 15 MET HE . 18693 1 163 . 1 1 15 15 MET HE3 H 1 2.092 0.000 . 1 . . . . 15 MET HE . 18693 1 164 . 1 1 15 15 MET C C 13 175.839 0.007 . 1 . . . . 15 MET C . 18693 1 165 . 1 1 15 15 MET CA C 13 55.228 0.135 . 1 . . . . 15 MET CA . 18693 1 166 . 1 1 15 15 MET CB C 13 32.620 0.072 . 1 . . . . 15 MET CB . 18693 1 167 . 1 1 15 15 MET CG C 13 31.745 0.000 . 1 . . . . 15 MET CG . 18693 1 168 . 1 1 15 15 MET CE C 13 16.639 0.000 . 1 . . . . 15 MET CE . 18693 1 169 . 1 1 15 15 MET N N 15 123.132 0.007 . 1 . . . . 15 MET N . 18693 1 170 . 1 1 16 16 SER H H 1 8.266 0.004 . 1 . . . . 16 SER H . 18693 1 171 . 1 1 16 16 SER HA H 1 4.438 0.001 . 1 . . . . 16 SER HA . 18693 1 172 . 1 1 16 16 SER HB2 H 1 3.914 0.000 . 1 . . . . 16 SER HB2 . 18693 1 173 . 1 1 16 16 SER HB3 H 1 3.886 0.000 . 1 . . . . 16 SER HB3 . 18693 1 174 . 1 1 16 16 SER C C 13 174.109 0.008 . 1 . . . . 16 SER C . 18693 1 175 . 1 1 16 16 SER CA C 13 58.088 0.110 . 1 . . . . 16 SER CA . 18693 1 176 . 1 1 16 16 SER CB C 13 63.469 0.037 . 1 . . . . 16 SER CB . 18693 1 177 . 1 1 16 16 SER N N 15 117.534 0.008 . 1 . . . . 16 SER N . 18693 1 178 . 1 1 17 17 ALA H H 1 8.328 0.003 . 1 . . . . 17 ALA H . 18693 1 179 . 1 1 17 17 ALA HA H 1 4.331 0.001 . 1 . . . . 17 ALA HA . 18693 1 180 . 1 1 17 17 ALA HB1 H 1 1.371 0.020 . 1 . . . . 17 ALA HB . 18693 1 181 . 1 1 17 17 ALA HB2 H 1 1.371 0.020 . 1 . . . . 17 ALA HB . 18693 1 182 . 1 1 17 17 ALA HB3 H 1 1.371 0.020 . 1 . . . . 17 ALA HB . 18693 1 183 . 1 1 17 17 ALA C C 13 176.974 0.010 . 1 . . . . 17 ALA C . 18693 1 184 . 1 1 17 17 ALA CA C 13 52.320 0.077 . 1 . . . . 17 ALA CA . 18693 1 185 . 1 1 17 17 ALA CB C 13 18.816 0.035 . 1 . . . . 17 ALA CB . 18693 1 186 . 1 1 17 17 ALA N N 15 126.279 0.010 . 1 . . . . 17 ALA N . 18693 1 187 . 1 1 18 18 ASP H H 1 8.158 0.004 . 1 . . . . 18 ASP H . 18693 1 188 . 1 1 18 18 ASP HA H 1 4.538 0.020 . 1 . . . . 18 ASP HA . 18693 1 189 . 1 1 18 18 ASP HB2 H 1 2.698 0.000 . 2 . . . . 18 ASP HB2 . 18693 1 190 . 1 1 18 18 ASP HB3 H 1 2.698 0.000 . 2 . . . . 18 ASP HB3 . 18693 1 191 . 1 1 18 18 ASP C C 13 175.635 0.013 . 1 . . . . 18 ASP C . 18693 1 192 . 1 1 18 18 ASP CA C 13 53.621 0.021 . 1 . . . . 18 ASP CA . 18693 1 193 . 1 1 18 18 ASP CB C 13 40.213 0.013 . 1 . . . . 18 ASP CB . 18693 1 194 . 1 1 18 18 ASP N N 15 118.708 0.013 . 1 . . . . 18 ASP N . 18693 1 195 . 1 1 19 19 HIS H H 1 8.340 0.006 . 1 . . . . 19 HIS H . 18693 1 196 . 1 1 19 19 HIS HA H 1 4.703 0.017 . 1 . . . . 19 HIS HA . 18693 1 197 . 1 1 19 19 HIS HB2 H 1 3.370 0.006 . 1 . . . . 19 HIS HB2 . 18693 1 198 . 1 1 19 19 HIS HB3 H 1 3.210 0.004 . 1 . . . . 19 HIS HB3 . 18693 1 199 . 1 1 19 19 HIS C C 13 174.034 0.033 . 1 . . . . 19 HIS C . 18693 1 200 . 1 1 19 19 HIS CA C 13 54.939 0.096 . 1 . . . . 19 HIS CA . 18693 1 201 . 1 1 19 19 HIS CB C 13 28.270 0.000 . 1 . . . . 19 HIS CB . 18693 1 202 . 1 1 19 19 HIS N N 15 119.092 0.033 . 1 . . . . 19 HIS N . 18693 1 203 . 1 1 20 20 LYS H H 1 8.309 0.004 . 1 . . . . 20 LYS H . 18693 1 204 . 1 1 20 20 LYS HA H 1 4.395 0.001 . 1 . . . . 20 LYS HA . 18693 1 205 . 1 1 20 20 LYS HB2 H 1 1.862 0.000 . 1 . . . . 20 LYS HB2 . 18693 1 206 . 1 1 20 20 LYS HB3 H 1 1.822 0.000 . 1 . . . . 20 LYS HB3 . 18693 1 207 . 1 1 20 20 LYS HG2 H 1 1.444 0.000 . 2 . . . . 20 LYS HG2 . 18693 1 208 . 1 1 20 20 LYS HG3 H 1 1.444 0.000 . 2 . . . . 20 LYS HG3 . 18693 1 209 . 1 1 20 20 LYS HD2 H 1 1.710 0.000 . 2 . . . . 20 LYS HD2 . 18693 1 210 . 1 1 20 20 LYS HD3 H 1 1.710 0.000 . 2 . . . . 20 LYS HD3 . 18693 1 211 . 1 1 20 20 LYS HE2 H 1 3.031 0.000 . 2 . . . . 20 LYS HE2 . 18693 1 212 . 1 1 20 20 LYS HE3 H 1 3.031 0.000 . 2 . . . . 20 LYS HE3 . 18693 1 213 . 1 1 20 20 LYS C C 13 176.419 0.019 . 1 . . . . 20 LYS C . 18693 1 214 . 1 1 20 20 LYS CA C 13 56.329 0.036 . 1 . . . . 20 LYS CA . 18693 1 215 . 1 1 20 20 LYS CB C 13 32.699 0.048 . 1 . . . . 20 LYS CB . 18693 1 216 . 1 1 20 20 LYS CG C 13 24.547 0.000 . 1 . . . . 20 LYS CG . 18693 1 217 . 1 1 20 20 LYS CD C 13 28.806 0.000 . 1 . . . . 20 LYS CD . 18693 1 218 . 1 1 20 20 LYS CE C 13 41.906 0.000 . 1 . . . . 20 LYS CE . 18693 1 219 . 1 1 20 20 LYS N N 15 122.208 0.019 . 1 . . . . 20 LYS N . 18693 1 220 . 1 1 21 21 THR H H 1 8.141 0.005 . 1 . . . . 21 THR H . 18693 1 221 . 1 1 21 21 THR HA H 1 4.340 0.000 . 1 . . . . 21 THR HA . 18693 1 222 . 1 1 21 21 THR HB H 1 4.157 0.025 . 1 . . . . 21 THR HB . 18693 1 223 . 1 1 21 21 THR HG21 H 1 1.147 0.025 . 1 . . . . 21 THR HG2 . 18693 1 224 . 1 1 21 21 THR HG22 H 1 1.147 0.025 . 1 . . . . 21 THR HG2 . 18693 1 225 . 1 1 21 21 THR HG23 H 1 1.147 0.025 . 1 . . . . 21 THR HG2 . 18693 1 226 . 1 1 21 21 THR C C 13 173.666 0.007 . 1 . . . . 21 THR C . 18693 1 227 . 1 1 21 21 THR CA C 13 61.496 0.107 . 1 . . . . 21 THR CA . 18693 1 228 . 1 1 21 21 THR CB C 13 69.417 0.030 . 1 . . . . 21 THR CB . 18693 1 229 . 1 1 21 21 THR CG2 C 13 21.088 0.074 . 1 . . . . 21 THR CG2 . 18693 1 230 . 1 1 21 21 THR N N 15 115.129 0.007 . 1 . . . . 21 THR N . 18693 1 231 . 1 1 22 22 ASN H H 1 8.379 0.005 . 1 . . . . 22 ASN H . 18693 1 232 . 1 1 22 22 ASN HA H 1 4.710 0.021 . 1 . . . . 22 ASN HA . 18693 1 233 . 1 1 22 22 ASN HB2 H 1 2.809 0.000 . 2 . . . . 22 ASN HB2 . 18693 1 234 . 1 1 22 22 ASN HB3 H 1 2.809 0.000 . 2 . . . . 22 ASN HB3 . 18693 1 235 . 1 1 22 22 ASN C C 13 174.535 0.011 . 1 . . . . 22 ASN C . 18693 1 236 . 1 1 22 22 ASN CA C 13 52.660 0.035 . 1 . . . . 22 ASN CA . 18693 1 237 . 1 1 22 22 ASN CB C 13 38.563 0.021 . 1 . . . . 22 ASN CB . 18693 1 238 . 1 1 22 22 ASN N N 15 121.460 0.011 . 1 . . . . 22 ASN N . 18693 1 239 . 1 1 23 23 HIS H H 1 8.467 0.005 . 1 . . . . 23 HIS H . 18693 1 240 . 1 1 23 23 HIS HA H 1 4.697 0.018 . 1 . . . . 23 HIS HA . 18693 1 241 . 1 1 23 23 HIS HB2 H 1 3.318 0.006 . 1 . . . . 23 HIS HB2 . 18693 1 242 . 1 1 23 23 HIS HB3 H 1 3.179 0.001 . 1 . . . . 23 HIS HB3 . 18693 1 243 . 1 1 23 23 HIS C C 13 173.898 0.040 . 1 . . . . 23 HIS C . 18693 1 244 . 1 1 23 23 HIS CA C 13 55.059 0.017 . 1 . . . . 23 HIS CA . 18693 1 245 . 1 1 23 23 HIS CB C 13 28.672 0.030 . 1 . . . . 23 HIS CB . 18693 1 246 . 1 1 23 23 HIS N N 15 119.757 0.040 . 1 . . . . 23 HIS N . 18693 1 247 . 1 1 24 24 LYS H H 1 8.320 0.005 . 1 . . . . 24 LYS H . 18693 1 248 . 1 1 24 24 LYS HA H 1 4.280 0.001 . 1 . . . . 24 LYS HA . 18693 1 249 . 1 1 24 24 LYS HB2 H 1 1.846 0.000 . 1 . . . . 24 LYS HB2 . 18693 1 250 . 1 1 24 24 LYS HB3 H 1 1.782 0.000 . 1 . . . . 24 LYS HB3 . 18693 1 251 . 1 1 24 24 LYS HG2 H 1 1.443 0.000 . 2 . . . . 24 LYS HG2 . 18693 1 252 . 1 1 24 24 LYS HG3 H 1 1.443 0.000 . 2 . . . . 24 LYS HG3 . 18693 1 253 . 1 1 24 24 LYS HD2 H 1 1.713 0.000 . 2 . . . . 24 LYS HD2 . 18693 1 254 . 1 1 24 24 LYS HD3 H 1 1.713 0.000 . 2 . . . . 24 LYS HD3 . 18693 1 255 . 1 1 24 24 LYS HE2 H 1 3.031 0.000 . 2 . . . . 24 LYS HE2 . 18693 1 256 . 1 1 24 24 LYS HE3 H 1 3.031 0.000 . 2 . . . . 24 LYS HE3 . 18693 1 257 . 1 1 24 24 LYS C C 13 175.872 0.000 . 1 . . . . 24 LYS C . 18693 1 258 . 1 1 24 24 LYS CA C 13 56.357 0.025 . 1 . . . . 24 LYS CA . 18693 1 259 . 1 1 24 24 LYS CB C 13 32.726 0.078 . 1 . . . . 24 LYS CB . 18693 1 260 . 1 1 24 24 LYS CG C 13 24.385 0.000 . 1 . . . . 24 LYS CG . 18693 1 261 . 1 1 24 24 LYS CD C 13 28.836 0.000 . 1 . . . . 24 LYS CD . 18693 1 262 . 1 1 24 24 LYS CE C 13 41.843 0.000 . 1 . . . . 24 LYS CE . 18693 1 263 . 1 1 24 24 LYS N N 15 123.497 0.000 . 1 . . . . 24 LYS N . 18693 1 264 . 1 1 25 25 ALA H H 1 8.305 0.004 . 1 . . . . 25 ALA H . 18693 1 265 . 1 1 25 25 ALA HA H 1 4.326 0.001 . 1 . . . . 25 ALA HA . 18693 1 266 . 1 1 25 25 ALA HB1 H 1 1.386 0.020 . 1 . . . . 25 ALA HB . 18693 1 267 . 1 1 25 25 ALA HB2 H 1 1.386 0.020 . 1 . . . . 25 ALA HB . 18693 1 268 . 1 1 25 25 ALA HB3 H 1 1.386 0.020 . 1 . . . . 25 ALA HB . 18693 1 269 . 1 1 25 25 ALA C C 13 177.089 0.006 . 1 . . . . 25 ALA C . 18693 1 270 . 1 1 25 25 ALA CA C 13 52.221 0.039 . 1 . . . . 25 ALA CA . 18693 1 271 . 1 1 25 25 ALA CB C 13 18.869 0.032 . 1 . . . . 25 ALA CB . 18693 1 272 . 1 1 25 25 ALA N N 15 125.391 0.006 . 1 . . . . 25 ALA N . 18693 1 273 . 1 1 26 26 ASP H H 1 8.237 0.006 . 1 . . . . 26 ASP H . 18693 1 274 . 1 1 26 26 ASP HA H 1 4.607 0.023 . 1 . . . . 26 ASP HA . 18693 1 275 . 1 1 26 26 ASP HB2 H 1 2.797 0.004 . 1 . . . . 26 ASP HB2 . 18693 1 276 . 1 1 26 26 ASP HB3 H 1 2.695 0.002 . 1 . . . . 26 ASP HB3 . 18693 1 277 . 1 1 26 26 ASP C C 13 175.636 0.013 . 1 . . . . 26 ASP C . 18693 1 278 . 1 1 26 26 ASP CA C 13 53.751 0.065 . 1 . . . . 26 ASP CA . 18693 1 279 . 1 1 26 26 ASP CB C 13 39.983 0.041 . 1 . . . . 26 ASP CB . 18693 1 280 . 1 1 26 26 ASP N N 15 119.680 0.013 . 1 . . . . 26 ASP N . 18693 1 281 . 1 1 27 27 LEU H H 1 8.095 0.006 . 1 . . . . 27 LEU H . 18693 1 282 . 1 1 27 27 LEU HA H 1 4.340 0.001 . 1 . . . . 27 LEU HA . 18693 1 283 . 1 1 27 27 LEU HB2 H 1 1.656 0.000 . 4 . . . . 27 LEU HB2 . 18693 1 284 . 1 1 27 27 LEU HB3 H 1 1.656 0.000 . 2 . . . . 27 LEU HB3 . 18693 1 285 . 1 1 27 27 LEU HG H 1 1.651 0.000 . 4 . . . . 27 LEU HG . 18693 1 286 . 1 1 27 27 LEU HD11 H 1 0.928 0.014 . 1 . . . . 27 LEU HD1 . 18693 1 287 . 1 1 27 27 LEU HD12 H 1 0.928 0.014 . 1 . . . . 27 LEU HD1 . 18693 1 288 . 1 1 27 27 LEU HD13 H 1 0.928 0.014 . 1 . . . . 27 LEU HD1 . 18693 1 289 . 1 1 27 27 LEU HD21 H 1 0.891 0.000 . 1 . . . . 27 LEU HD2 . 18693 1 290 . 1 1 27 27 LEU HD22 H 1 0.891 0.000 . 1 . . . . 27 LEU HD2 . 18693 1 291 . 1 1 27 27 LEU HD23 H 1 0.891 0.000 . 1 . . . . 27 LEU HD2 . 18693 1 292 . 1 1 27 27 LEU C C 13 177.104 0.011 . 1 . . . . 27 LEU C . 18693 1 293 . 1 1 27 27 LEU CA C 13 55.041 0.023 . 1 . . . . 27 LEU CA . 18693 1 294 . 1 1 27 27 LEU CB C 13 41.925 0.026 . 1 . . . . 27 LEU CB . 18693 1 295 . 1 1 27 27 LEU CG C 13 26.584 0.000 . 1 . . . . 27 LEU CG . 18693 1 296 . 1 1 27 27 LEU CD1 C 13 24.621 0.036 . 1 . . . . 27 LEU CD1 . 18693 1 297 . 1 1 27 27 LEU CD2 C 13 23.145 0.000 . 1 . . . . 27 LEU CD2 . 18693 1 298 . 1 1 27 27 LEU N N 15 122.484 0.011 . 1 . . . . 27 LEU N . 18693 1 299 . 1 1 28 28 GLU H H 1 8.212 0.004 . 1 . . . . 28 GLU H . 18693 1 300 . 1 1 28 28 GLU HA H 1 4.335 0.001 . 1 . . . . 28 GLU HA . 18693 1 301 . 1 1 28 28 GLU HB2 H 1 2.126 0.001 . 1 . . . . 28 GLU HB2 . 18693 1 302 . 1 1 28 28 GLU HB3 H 1 2.023 0.001 . 1 . . . . 28 GLU HB3 . 18693 1 303 . 1 1 28 28 GLU HG2 H 1 2.417 0.000 . 2 . . . . 28 GLU HG2 . 18693 1 304 . 1 1 28 28 GLU HG3 H 1 2.417 0.000 . 2 . . . . 28 GLU HG3 . 18693 1 305 . 1 1 28 28 GLU C C 13 175.841 0.006 . 1 . . . . 28 GLU C . 18693 1 306 . 1 1 28 28 GLU CA C 13 55.851 0.094 . 1 . . . . 28 GLU CA . 18693 1 307 . 1 1 28 28 GLU CB C 13 28.935 0.138 . 1 . . . . 28 GLU CB . 18693 1 308 . 1 1 28 28 GLU CG C 13 34.015 0.000 . 1 . . . . 28 GLU CG . 18693 1 309 . 1 1 28 28 GLU N N 15 120.955 0.006 . 1 . . . . 28 GLU N . 18693 1 310 . 1 1 29 29 LYS H H 1 8.179 0.004 . 1 . . . . 29 LYS H . 18693 1 311 . 1 1 29 29 LYS HA H 1 4.322 0.001 . 1 . . . . 29 LYS HA . 18693 1 312 . 1 1 29 29 LYS HB2 H 1 1.858 0.000 . 1 . . . . 29 LYS HB2 . 18693 1 313 . 1 1 29 29 LYS HB3 H 1 1.785 0.000 . 1 . . . . 29 LYS HB3 . 18693 1 314 . 1 1 29 29 LYS HG2 H 1 1.440 0.000 . 2 . . . . 29 LYS HG2 . 18693 1 315 . 1 1 29 29 LYS HG3 H 1 1.440 0.000 . 2 . . . . 29 LYS HG3 . 18693 1 316 . 1 1 29 29 LYS HD2 H 1 1.711 0.000 . 2 . . . . 29 LYS HD2 . 18693 1 317 . 1 1 29 29 LYS HD3 H 1 1.711 0.000 . 2 . . . . 29 LYS HD3 . 18693 1 318 . 1 1 29 29 LYS HE2 H 1 3.031 0.000 . 2 . . . . 29 LYS HE2 . 18693 1 319 . 1 1 29 29 LYS HE3 H 1 3.031 0.000 . 2 . . . . 29 LYS HE3 . 18693 1 320 . 1 1 29 29 LYS C C 13 175.927 0.013 . 1 . . . . 29 LYS C . 18693 1 321 . 1 1 29 29 LYS CA C 13 56.073 0.074 . 1 . . . . 29 LYS CA . 18693 1 322 . 1 1 29 29 LYS CB C 13 32.624 0.052 . 1 . . . . 29 LYS CB . 18693 1 323 . 1 1 29 29 LYS CG C 13 24.367 0.000 . 1 . . . . 29 LYS CG . 18693 1 324 . 1 1 29 29 LYS CD C 13 28.842 0.000 . 1 . . . . 29 LYS CD . 18693 1 325 . 1 1 29 29 LYS CE C 13 41.947 0.000 . 1 . . . . 29 LYS CE . 18693 1 326 . 1 1 29 29 LYS N N 15 122.191 0.013 . 1 . . . . 29 LYS N . 18693 1 327 . 1 1 30 30 ASN H H 1 8.384 0.004 . 1 . . . . 30 ASN H . 18693 1 328 . 1 1 30 30 ASN HA H 1 4.749 0.002 . 1 . . . . 30 ASN HA . 18693 1 329 . 1 1 30 30 ASN HB2 H 1 2.878 0.001 . 1 . . . . 30 ASN HB2 . 18693 1 330 . 1 1 30 30 ASN HB3 H 1 2.793 0.001 . 1 . . . . 30 ASN HB3 . 18693 1 331 . 1 1 30 30 ASN C C 13 174.657 0.021 . 1 . . . . 30 ASN C . 18693 1 332 . 1 1 30 30 ASN CA C 13 52.891 0.079 . 1 . . . . 30 ASN CA . 18693 1 333 . 1 1 30 30 ASN CB C 13 38.620 0.013 . 1 . . . . 30 ASN CB . 18693 1 334 . 1 1 30 30 ASN N N 15 119.999 0.021 . 1 . . . . 30 ASN N . 18693 1 335 . 1 1 31 31 ASP H H 1 8.339 0.005 . 1 . . . . 31 ASP H . 18693 1 336 . 1 1 31 31 ASP HA H 1 4.716 0.023 . 1 . . . . 31 ASP HA . 18693 1 337 . 1 1 31 31 ASP HB2 H 1 2.802 0.004 . 2 . . . . 31 ASP HB2 . 18693 1 338 . 1 1 31 31 ASP HB3 H 1 2.802 0.004 . 2 . . . . 31 ASP HB3 . 18693 1 339 . 1 1 31 31 ASP C C 13 175.786 0.019 . 1 . . . . 31 ASP C . 18693 1 340 . 1 1 31 31 ASP CA C 13 53.545 0.081 . 1 . . . . 31 ASP CA . 18693 1 341 . 1 1 31 31 ASP CB C 13 39.810 0.029 . 1 . . . . 31 ASP CB . 18693 1 342 . 1 1 31 31 ASP N N 15 120.958 0.019 . 1 . . . . 31 ASP N . 18693 1 343 . 1 1 32 32 SER H H 1 8.269 0.004 . 1 . . . . 32 SER H . 18693 1 344 . 1 1 32 32 SER HA H 1 4.450 0.001 . 1 . . . . 32 SER HA . 18693 1 345 . 1 1 32 32 SER HB2 H 1 3.942 0.001 . 2 . . . . 32 SER HB2 . 18693 1 346 . 1 1 32 32 SER HB3 H 1 3.942 0.001 . 2 . . . . 32 SER HB3 . 18693 1 347 . 1 1 32 32 SER C C 13 174.612 0.014 . 1 . . . . 32 SER C . 18693 1 348 . 1 1 32 32 SER CA C 13 58.559 0.038 . 1 . . . . 32 SER CA . 18693 1 349 . 1 1 32 32 SER CB C 13 63.316 0.033 . 1 . . . . 32 SER CB . 18693 1 350 . 1 1 32 32 SER N N 15 116.528 0.014 . 1 . . . . 32 SER N . 18693 1 351 . 1 1 33 33 GLN H H 1 8.360 0.004 . 1 . . . . 33 GLN H . 18693 1 352 . 1 1 33 33 GLN HA H 1 4.348 0.002 . 1 . . . . 33 GLN HA . 18693 1 353 . 1 1 33 33 GLN HB2 H 1 2.189 0.001 . 1 . . . . 33 GLN HB2 . 18693 1 354 . 1 1 33 33 GLN HB3 H 1 2.059 0.003 . 1 . . . . 33 GLN HB3 . 18693 1 355 . 1 1 33 33 GLN HG2 H 1 2.405 0.000 . 2 . . . . 33 GLN HG2 . 18693 1 356 . 1 1 33 33 GLN HG3 H 1 2.405 0.000 . 2 . . . . 33 GLN HG3 . 18693 1 357 . 1 1 33 33 GLN C C 13 176.315 0.004 . 1 . . . . 33 GLN C . 18693 1 358 . 1 1 33 33 GLN CA C 13 56.173 0.069 . 1 . . . . 33 GLN CA . 18693 1 359 . 1 1 33 33 GLN CB C 13 28.839 0.048 . 1 . . . . 33 GLN CB . 18693 1 360 . 1 1 33 33 GLN CG C 13 33.579 0.000 . 1 . . . . 33 GLN CG . 18693 1 361 . 1 1 33 33 GLN N N 15 121.945 0.004 . 1 . . . . 33 GLN N . 18693 1 362 . 1 1 34 34 GLY H H 1 8.292 0.005 . 1 . . . . 34 GLY H . 18693 1 363 . 1 1 34 34 GLY HA2 H 1 3.976 0.000 . 2 . . . . 34 GLY HA2 . 18693 1 364 . 1 1 34 34 GLY HA3 H 1 3.976 0.000 . 2 . . . . 34 GLY HA3 . 18693 1 365 . 1 1 34 34 GLY C C 13 173.940 0.000 . 1 . . . . 34 GLY C . 18693 1 366 . 1 1 34 34 GLY CA C 13 45.183 0.027 . 1 . . . . 34 GLY CA . 18693 1 367 . 1 1 34 34 GLY N N 15 109.404 0.000 . 1 . . . . 34 GLY N . 18693 1 368 . 1 1 35 35 GLU H H 1 8.178 0.002 . 1 . . . . 35 GLU H . 18693 1 369 . 1 1 35 35 GLU HA H 1 4.355 0.001 . 1 . . . . 35 GLU HA . 18693 1 370 . 1 1 35 35 GLU HB2 H 1 2.129 0.001 . 1 . . . . 35 GLU HB2 . 18693 1 371 . 1 1 35 35 GLU HB3 H 1 2.022 0.001 . 1 . . . . 35 GLU HB3 . 18693 1 372 . 1 1 35 35 GLU HG2 H 1 2.420 0.000 . 2 . . . . 35 GLU HG2 . 18693 1 373 . 1 1 35 35 GLU HG3 H 1 2.420 0.000 . 2 . . . . 35 GLU HG3 . 18693 1 374 . 1 1 35 35 GLU C C 13 176.095 0.028 . 1 . . . . 35 GLU C . 18693 1 375 . 1 1 35 35 GLU CA C 13 56.036 0.052 . 1 . . . . 35 GLU CA . 18693 1 376 . 1 1 35 35 GLU CB C 13 28.733 0.000 . 1 . . . . 35 GLU CB . 18693 1 377 . 1 1 35 35 GLU CG C 13 33.860 0.000 . 1 . . . . 35 GLU CG . 18693 1 378 . 1 1 35 35 GLU N N 15 120.502 0.028 . 1 . . . . 35 GLU N . 18693 1 379 . 1 1 36 36 ARG H H 1 8.306 0.003 . 1 . . . . 36 ARG H . 18693 1 380 . 1 1 36 36 ARG HA H 1 4.350 0.000 . 1 . . . . 36 ARG HA . 18693 1 381 . 1 1 36 36 ARG HB2 H 1 1.882 0.000 . 1 . . . . 36 ARG HB2 . 18693 1 382 . 1 1 36 36 ARG HB3 H 1 1.816 0.000 . 1 . . . . 36 ARG HB3 . 18693 1 383 . 1 1 36 36 ARG HG2 H 1 1.642 0.000 . 2 . . . . 36 ARG HG2 . 18693 1 384 . 1 1 36 36 ARG HG3 H 1 1.642 0.000 . 2 . . . . 36 ARG HG3 . 18693 1 385 . 1 1 36 36 ARG HD2 H 1 3.216 0.000 . 2 . . . . 36 ARG HD2 . 18693 1 386 . 1 1 36 36 ARG HD3 H 1 3.216 0.000 . 2 . . . . 36 ARG HD3 . 18693 1 387 . 1 1 36 36 ARG C C 13 175.890 0.033 . 1 . . . . 36 ARG C . 18693 1 388 . 1 1 36 36 ARG CA C 13 56.084 0.069 . 1 . . . . 36 ARG CA . 18693 1 389 . 1 1 36 36 ARG CB C 13 30.449 0.085 . 1 . . . . 36 ARG CB . 18693 1 390 . 1 1 36 36 ARG CG C 13 26.850 0.000 . 1 . . . . 36 ARG CG . 18693 1 391 . 1 1 36 36 ARG CD C 13 43.037 0.000 . 1 . . . . 36 ARG CD . 18693 1 392 . 1 1 36 36 ARG N N 15 121.823 0.033 . 1 . . . . 36 ARG N . 18693 1 393 . 1 1 37 37 ASN H H 1 8.425 0.004 . 1 . . . . 37 ASN H . 18693 1 394 . 1 1 37 37 ASN HA H 1 4.764 0.019 . 1 . . . . 37 ASN HA . 18693 1 395 . 1 1 37 37 ASN HB2 H 1 2.887 0.008 . 2 . . . . 37 ASN HB2 . 18693 1 396 . 1 1 37 37 ASN HB3 H 1 2.887 0.008 . 2 . . . . 37 ASN HB3 . 18693 1 397 . 1 1 37 37 ASN C C 13 175.511 0.015 . 1 . . . . 37 ASN C . 18693 1 398 . 1 1 37 37 ASN CA C 13 53.203 0.038 . 1 . . . . 37 ASN CA . 18693 1 399 . 1 1 37 37 ASN CB C 13 38.371 0.031 . 1 . . . . 37 ASN CB . 18693 1 400 . 1 1 37 37 ASN N N 15 119.890 0.015 . 1 . . . . 37 ASN N . 18693 1 401 . 1 1 38 38 THR H H 1 8.097 0.004 . 1 . . . . 38 THR H . 18693 1 402 . 1 1 38 38 THR HA H 1 4.314 0.000 . 4 . . . . 38 THR HA . 18693 1 403 . 1 1 38 38 THR HB H 1 4.299 0.017 . 4 . . . . 38 THR HB . 18693 1 404 . 1 1 38 38 THR HG21 H 1 1.235 0.000 . 1 . . . . 38 THR HG2 . 18693 1 405 . 1 1 38 38 THR HG22 H 1 1.235 0.000 . 1 . . . . 38 THR HG2 . 18693 1 406 . 1 1 38 38 THR HG23 H 1 1.235 0.000 . 1 . . . . 38 THR HG2 . 18693 1 407 . 1 1 38 38 THR C C 13 174.653 0.025 . 1 . . . . 38 THR C . 18693 1 408 . 1 1 38 38 THR CA C 13 62.318 0.028 . 1 . . . . 38 THR CA . 18693 1 409 . 1 1 38 38 THR CB C 13 69.173 0.067 . 1 . . . . 38 THR CB . 18693 1 410 . 1 1 38 38 THR CG2 C 13 21.506 0.000 . 1 . . . . 38 THR CG2 . 18693 1 411 . 1 1 38 38 THR N N 15 114.801 0.025 . 1 . . . . 38 THR N . 18693 1 412 . 1 1 39 39 GLN H H 1 8.329 0.004 . 1 . . . . 39 GLN H . 18693 1 413 . 1 1 39 39 GLN HA H 1 4.324 0.003 . 1 . . . . 39 GLN HA . 18693 1 414 . 1 1 39 39 GLN HB2 H 1 2.157 0.000 . 1 . . . . 39 GLN HB2 . 18693 1 415 . 1 1 39 39 GLN HB3 H 1 2.102 0.000 . 1 . . . . 39 GLN HB3 . 18693 1 416 . 1 1 39 39 GLN HG2 H 1 2.410 0.000 . 2 . . . . 39 GLN HG2 . 18693 1 417 . 1 1 39 39 GLN HG3 H 1 2.410 0.000 . 2 . . . . 39 GLN HG3 . 18693 1 418 . 1 1 39 39 GLN C C 13 176.273 0.000 . 1 . . . . 39 GLN C . 18693 1 419 . 1 1 39 39 GLN CA C 13 56.453 0.108 . 1 . . . . 39 GLN CA . 18693 1 420 . 1 1 39 39 GLN CB C 13 28.656 0.095 . 1 . . . . 39 GLN CB . 18693 1 421 . 1 1 39 39 GLN CG C 13 33.563 0.000 . 1 . . . . 39 GLN CG . 18693 1 422 . 1 1 39 39 GLN N N 15 122.238 0.000 . 1 . . . . 39 GLN N . 18693 1 423 . 1 1 40 40 GLU H H 1 8.254 0.003 . 1 . . . . 40 GLU H . 18693 1 424 . 1 1 40 40 GLU HA H 1 4.236 0.009 . 1 . . . . 40 GLU HA . 18693 1 425 . 1 1 40 40 GLU HB2 H 1 2.038 0.000 . 1 . . . . 40 GLU HB2 . 18693 1 426 . 1 1 40 40 GLU HB3 H 1 1.987 0.000 . 1 . . . . 40 GLU HB3 . 18693 1 427 . 1 1 40 40 GLU HG2 H 1 2.418 0.000 . 2 . . . . 40 GLU HG2 . 18693 1 428 . 1 1 40 40 GLU HG3 H 1 2.418 0.000 . 2 . . . . 40 GLU HG3 . 18693 1 429 . 1 1 40 40 GLU C C 13 176.297 0.000 . 1 . . . . 40 GLU C . 18693 1 430 . 1 1 40 40 GLU CA C 13 56.678 0.030 . 1 . . . . 40 GLU CA . 18693 1 431 . 1 1 40 40 GLU CB C 13 28.710 0.008 . 1 . . . . 40 GLU CB . 18693 1 432 . 1 1 40 40 GLU CG C 13 33.991 0.000 . 1 . . . . 40 GLU CG . 18693 1 433 . 1 1 40 40 GLU N N 15 121.100 0.000 . 1 . . . . 40 GLU N . 18693 1 434 . 1 1 41 41 ALA H H 1 8.129 0.004 . 1 . . . . 41 ALA H . 18693 1 435 . 1 1 41 41 ALA HA H 1 4.244 0.001 . 1 . . . . 41 ALA HA . 18693 1 436 . 1 1 41 41 ALA HB1 H 1 1.368 0.009 . 1 . . . . 41 ALA HB . 18693 1 437 . 1 1 41 41 ALA HB2 H 1 1.368 0.009 . 1 . . . . 41 ALA HB . 18693 1 438 . 1 1 41 41 ALA HB3 H 1 1.368 0.009 . 1 . . . . 41 ALA HB . 18693 1 439 . 1 1 41 41 ALA C C 13 178.015 0.041 . 1 . . . . 41 ALA C . 18693 1 440 . 1 1 41 41 ALA CA C 13 53.111 0.068 . 1 . . . . 41 ALA CA . 18693 1 441 . 1 1 41 41 ALA CB C 13 18.439 0.049 . 1 . . . . 41 ALA CB . 18693 1 442 . 1 1 41 41 ALA N N 15 123.908 0.041 . 1 . . . . 41 ALA N . 18693 1 443 . 1 1 42 42 PHE H H 1 8.015 0.004 . 1 . . . . 42 PHE H . 18693 1 444 . 1 1 42 42 PHE HA H 1 4.523 0.000 . 1 . . . . 42 PHE HA . 18693 1 445 . 1 1 42 42 PHE HB2 H 1 3.155 0.000 . 2 . . . . 42 PHE HB2 . 18693 1 446 . 1 1 42 42 PHE HB3 H 1 3.155 0.000 . 2 . . . . 42 PHE HB3 . 18693 1 447 . 1 1 42 42 PHE C C 13 176.052 0.000 . 1 . . . . 42 PHE C . 18693 1 448 . 1 1 42 42 PHE CA C 13 58.490 0.014 . 1 . . . . 42 PHE CA . 18693 1 449 . 1 1 42 42 PHE CB C 13 38.934 0.029 . 1 . . . . 42 PHE CB . 18693 1 450 . 1 1 42 42 PHE N N 15 118.597 0.000 . 1 . . . . 42 PHE N . 18693 1 451 . 1 1 43 43 GLU H H 1 8.152 0.004 . 1 . . . . 43 GLU H . 18693 1 452 . 1 1 43 43 GLU HA H 1 4.169 0.000 . 1 . . . . 43 GLU HA . 18693 1 453 . 1 1 43 43 GLU HB2 H 1 2.088 0.009 . 2 . . . . 43 GLU HB2 . 18693 1 454 . 1 1 43 43 GLU HB3 H 1 2.088 0.009 . 2 . . . . 43 GLU HB3 . 18693 1 455 . 1 1 43 43 GLU HG2 H 1 2.256 0.000 . 2 . . . . 43 GLU HG2 . 18693 1 456 . 1 1 43 43 GLU HG3 H 1 2.256 0.000 . 2 . . . . 43 GLU HG3 . 18693 1 457 . 1 1 43 43 GLU C C 13 176.424 0.000 . 1 . . . . 43 GLU C . 18693 1 458 . 1 1 43 43 GLU CA C 13 56.926 0.000 . 1 . . . . 43 GLU CA . 18693 1 459 . 1 1 43 43 GLU CB C 13 28.663 0.105 . 1 . . . . 43 GLU CB . 18693 1 460 . 1 1 43 43 GLU CG C 13 33.772 0.000 . 1 . . . . 43 GLU CG . 18693 1 461 . 1 1 43 43 GLU N N 15 120.244 0.000 . 1 . . . . 43 GLU N . 18693 1 462 . 1 1 44 44 MET H H 1 8.049 0.004 . 1 . . . . 44 MET H . 18693 1 463 . 1 1 44 44 MET HA H 1 4.392 0.000 . 1 . . . . 44 MET HA . 18693 1 464 . 1 1 44 44 MET HB2 H 1 2.095 0.000 . 2 . . . . 44 MET HB2 . 18693 1 465 . 1 1 44 44 MET HB3 H 1 2.095 0.000 . 2 . . . . 44 MET HB3 . 18693 1 466 . 1 1 44 44 MET HG2 H 1 2.398 0.000 . 1 . . . . 44 MET HG2 . 18693 1 467 . 1 1 44 44 MET HG3 H 1 2.216 0.000 . 1 . . . . 44 MET HG3 . 18693 1 468 . 1 1 44 44 MET C C 13 176.572 0.017 . 1 . . . . 44 MET C . 18693 1 469 . 1 1 44 44 MET CA C 13 56.541 0.095 . 1 . . . . 44 MET CA . 18693 1 470 . 1 1 44 44 MET CB C 13 32.177 0.000 . 4 . . . . 44 MET CB . 18693 1 471 . 1 1 44 44 MET CG C 13 31.969 0.000 . 4 . . . . 44 MET CG . 18693 1 472 . 1 1 44 44 MET N N 15 120.010 0.017 . 1 . . . . 44 MET N . 18693 1 473 . 1 1 45 45 ILE H H 1 7.875 0.004 . 1 . . . . 45 ILE H . 18693 1 474 . 1 1 45 45 ILE HA H 1 4.027 0.000 . 1 . . . . 45 ILE HA . 18693 1 475 . 1 1 45 45 ILE HB H 1 1.884 0.000 . 1 . . . . 45 ILE HB . 18693 1 476 . 1 1 45 45 ILE HG12 H 1 1.529 0.000 . 1 . . . . 45 ILE HG12 . 18693 1 477 . 1 1 45 45 ILE HG13 H 1 1.167 0.000 . 1 . . . . 45 ILE HG13 . 18693 1 478 . 1 1 45 45 ILE HG21 H 1 0.829 0.000 . 1 . . . . 45 ILE HG2 . 18693 1 479 . 1 1 45 45 ILE HG22 H 1 0.829 0.000 . 1 . . . . 45 ILE HG2 . 18693 1 480 . 1 1 45 45 ILE HG23 H 1 0.829 0.000 . 1 . . . . 45 ILE HG2 . 18693 1 481 . 1 1 45 45 ILE HD11 H 1 0.788 0.000 . 1 . . . . 45 ILE HD1 . 18693 1 482 . 1 1 45 45 ILE HD12 H 1 0.788 0.000 . 1 . . . . 45 ILE HD1 . 18693 1 483 . 1 1 45 45 ILE HD13 H 1 0.788 0.000 . 1 . . . . 45 ILE HD1 . 18693 1 484 . 1 1 45 45 ILE C C 13 176.411 0.000 . 1 . . . . 45 ILE C . 18693 1 485 . 1 1 45 45 ILE CA C 13 62.032 0.007 . 1 . . . . 45 ILE CA . 18693 1 486 . 1 1 45 45 ILE CB C 13 38.090 0.030 . 1 . . . . 45 ILE CB . 18693 1 487 . 1 1 45 45 ILE CG1 C 13 27.684 0.001 . 1 . . . . 45 ILE CG1 . 18693 1 488 . 1 1 45 45 ILE CG2 C 13 17.219 0.063 . 1 . . . . 45 ILE CG2 . 18693 1 489 . 1 1 45 45 ILE CD1 C 13 12.370 0.000 . 1 . . . . 45 ILE CD1 . 18693 1 490 . 1 1 45 45 ILE N N 15 121.227 0.000 . 1 . . . . 45 ILE N . 18693 1 491 . 1 1 46 46 LEU H H 1 8.000 0.001 . 1 . . . . 46 LEU H . 18693 1 492 . 1 1 46 46 LEU HA H 1 4.284 0.000 . 1 . . . . 46 LEU HA . 18693 1 493 . 1 1 46 46 LEU C C 13 177.524 0.000 . 1 . . . . 46 LEU C . 18693 1 494 . 1 1 46 46 LEU CA C 13 55.926 0.089 . 1 . . . . 46 LEU CA . 18693 1 495 . 1 1 46 46 LEU CB C 13 41.856 0.081 . 1 . . . . 46 LEU CB . 18693 1 496 . 1 1 46 46 LEU N N 15 123.178 0.000 . 1 . . . . 46 LEU N . 18693 1 497 . 1 1 47 47 CYS H H 1 8.170 0.005 . 1 . . . . 47 CYS H . 18693 1 498 . 1 1 47 47 CYS HA H 1 4.546 0.000 . 1 . . . . 47 CYS HA . 18693 1 499 . 1 1 47 47 CYS HB2 H 1 3.042 0.000 . 2 . . . . 47 CYS HB2 . 18693 1 500 . 1 1 47 47 CYS HB3 H 1 3.042 0.000 . 2 . . . . 47 CYS HB3 . 18693 1 501 . 1 1 47 47 CYS C C 13 174.575 0.000 . 1 . . . . 47 CYS C . 18693 1 502 . 1 1 47 47 CYS CA C 13 56.310 0.000 . 1 . . . . 47 CYS CA . 18693 1 503 . 1 1 47 47 CYS CB C 13 40.002 0.075 . 1 . . . . 47 CYS CB . 18693 1 504 . 1 1 47 47 CYS N N 15 118.414 0.000 . 1 . . . . 47 CYS N . 18693 1 505 . 1 1 48 48 ALA H H 1 8.094 0.003 . 1 . . . . 48 ALA H . 18693 1 506 . 1 1 48 48 ALA HA H 1 4.236 0.000 . 1 . . . . 48 ALA HA . 18693 1 507 . 1 1 48 48 ALA HB1 H 1 1.319 0.013 . 1 . . . . 48 ALA HB . 18693 1 508 . 1 1 48 48 ALA HB2 H 1 1.319 0.013 . 1 . . . . 48 ALA HB . 18693 1 509 . 1 1 48 48 ALA HB3 H 1 1.319 0.013 . 1 . . . . 48 ALA HB . 18693 1 510 . 1 1 48 48 ALA C C 13 177.682 0.026 . 1 . . . . 48 ALA C . 18693 1 511 . 1 1 48 48 ALA CA C 13 53.007 0.028 . 1 . . . . 48 ALA CA . 18693 1 512 . 1 1 48 48 ALA CB C 13 18.562 0.071 . 1 . . . . 48 ALA CB . 18693 1 513 . 1 1 48 48 ALA N N 15 124.799 0.026 . 1 . . . . 48 ALA N . 18693 1 514 . 1 1 49 49 PHE H H 1 8.134 0.003 . 1 . . . . 49 PHE H . 18693 1 515 . 1 1 49 49 PHE HA H 1 4.517 0.000 . 1 . . . . 49 PHE HA . 18693 1 516 . 1 1 49 49 PHE HB2 H 1 3.170 0.000 . 1 . . . . 49 PHE HB2 . 18693 1 517 . 1 1 49 49 PHE HB3 H 1 3.116 0.000 . 1 . . . . 49 PHE HB3 . 18693 1 518 . 1 1 49 49 PHE C C 13 176.091 0.016 . 1 . . . . 49 PHE C . 18693 1 519 . 1 1 49 49 PHE CA C 13 58.480 0.065 . 1 . . . . 49 PHE CA . 18693 1 520 . 1 1 49 49 PHE CB C 13 38.973 0.020 . 1 . . . . 49 PHE CB . 18693 1 521 . 1 1 49 49 PHE N N 15 119.084 0.016 . 1 . . . . 49 PHE N . 18693 1 522 . 1 1 50 50 ASN H H 1 8.250 0.006 . 1 . . . . 50 ASN H . 18693 1 523 . 1 1 50 50 ASN HA H 1 4.587 0.000 . 1 . . . . 50 ASN HA . 18693 1 524 . 1 1 50 50 ASN HB2 H 1 2.842 0.000 . 2 . . . . 50 ASN HB2 . 18693 1 525 . 1 1 50 50 ASN HB3 H 1 2.842 0.000 . 2 . . . . 50 ASN HB3 . 18693 1 526 . 1 1 50 50 ASN C C 13 175.793 0.000 . 1 . . . . 50 ASN C . 18693 1 527 . 1 1 50 50 ASN CA C 13 53.983 0.045 . 1 . . . . 50 ASN CA . 18693 1 528 . 1 1 50 50 ASN CB C 13 38.385 0.085 . 1 . . . . 50 ASN CB . 18693 1 529 . 1 1 50 50 ASN N N 15 119.099 0.000 . 1 . . . . 50 ASN N . 18693 1 530 . 1 1 51 51 GLN H H 1 8.213 0.003 . 1 . . . . 51 GLN H . 18693 1 531 . 1 1 51 51 GLN HA H 1 4.241 0.000 . 1 . . . . 51 GLN HA . 18693 1 532 . 1 1 51 51 GLN HB2 H 1 2.174 0.000 . 1 . . . . 51 GLN HB2 . 18693 1 533 . 1 1 51 51 GLN HB3 H 1 2.080 0.000 . 1 . . . . 51 GLN HB3 . 18693 1 534 . 1 1 51 51 GLN HG2 H 1 2.392 0.000 . 2 . . . . 51 GLN HG2 . 18693 1 535 . 1 1 51 51 GLN HG3 H 1 2.392 0.000 . 2 . . . . 51 GLN HG3 . 18693 1 536 . 1 1 51 51 GLN C C 13 176.363 0.000 . 1 . . . . 51 GLN C . 18693 1 537 . 1 1 51 51 GLN CA C 13 56.831 0.074 . 1 . . . . 51 GLN CA . 18693 1 538 . 1 1 51 51 GLN CB C 13 28.623 0.010 . 1 . . . . 51 GLN CB . 18693 1 539 . 1 1 51 51 GLN CG C 13 33.586 0.000 . 1 . . . . 51 GLN CG . 18693 1 540 . 1 1 51 51 GLN N N 15 119.972 0.000 . 1 . . . . 51 GLN N . 18693 1 541 . 1 1 52 52 GLU H H 1 8.212 0.005 . 1 . . . . 52 GLU H . 18693 1 542 . 1 1 52 52 GLU HA H 1 4.188 0.000 . 1 . . . . 52 GLU HA . 18693 1 543 . 1 1 52 52 GLU HB2 H 1 2.105 0.000 . 2 . . . . 52 GLU HB2 . 18693 1 544 . 1 1 52 52 GLU HB3 H 1 2.105 0.000 . 2 . . . . 52 GLU HB3 . 18693 1 545 . 1 1 52 52 GLU HG2 H 1 2.426 0.000 . 2 . . . . 52 GLU HG2 . 18693 1 546 . 1 1 52 52 GLU HG3 H 1 2.426 0.000 . 2 . . . . 52 GLU HG3 . 18693 1 547 . 1 1 52 52 GLU C C 13 176.537 0.024 . 1 . . . . 52 GLU C . 18693 1 548 . 1 1 52 52 GLU CA C 13 57.238 0.000 . 1 . . . . 52 GLU CA . 18693 1 549 . 1 1 52 52 GLU CB C 13 28.383 0.024 . 1 . . . . 52 GLU CB . 18693 1 550 . 1 1 52 52 GLU CG C 13 33.812 0.000 . 1 . . . . 52 GLU CG . 18693 1 551 . 1 1 52 52 GLU N N 15 120.060 0.024 . 1 . . . . 52 GLU N . 18693 1 552 . 1 1 53 53 LYS H H 1 8.012 0.005 . 1 . . . . 53 LYS H . 18693 1 553 . 1 1 53 53 LYS HA H 1 4.156 0.000 . 1 . . . . 53 LYS HA . 18693 1 554 . 1 1 53 53 LYS HB2 H 1 1.809 0.000 . 2 . . . . 53 LYS HB2 . 18693 1 555 . 1 1 53 53 LYS HB3 H 1 1.809 0.000 . 2 . . . . 53 LYS HB3 . 18693 1 556 . 1 1 53 53 LYS HG2 H 1 1.426 0.014 . 2 . . . . 53 LYS HG2 . 18693 1 557 . 1 1 53 53 LYS HG3 H 1 1.426 0.014 . 2 . . . . 53 LYS HG3 . 18693 1 558 . 1 1 53 53 LYS HD2 H 1 1.684 0.015 . 2 . . . . 53 LYS HD2 . 18693 1 559 . 1 1 53 53 LYS HD3 H 1 1.684 0.015 . 2 . . . . 53 LYS HD3 . 18693 1 560 . 1 1 53 53 LYS HE2 H 1 2.966 0.029 . 2 . . . . 53 LYS HE2 . 18693 1 561 . 1 1 53 53 LYS HE3 H 1 2.966 0.029 . 2 . . . . 53 LYS HE3 . 18693 1 562 . 1 1 53 53 LYS C C 13 176.967 0.012 . 1 . . . . 53 LYS C . 18693 1 563 . 1 1 53 53 LYS CA C 13 57.204 0.000 . 1 . . . . 53 LYS CA . 18693 1 564 . 1 1 53 53 LYS CB C 13 32.046 0.000 . 1 . . . . 53 LYS CB . 18693 1 565 . 1 1 53 53 LYS CG C 13 24.374 0.000 . 1 . . . . 53 LYS CG . 18693 1 566 . 1 1 53 53 LYS CD C 13 28.582 0.000 . 1 . . . . 53 LYS CD . 18693 1 567 . 1 1 53 53 LYS CE C 13 41.637 0.000 . 1 . . . . 53 LYS CE . 18693 1 568 . 1 1 53 53 LYS N N 15 119.782 0.012 . 1 . . . . 53 LYS N . 18693 1 569 . 1 1 54 54 MET H H 1 7.943 0.003 . 1 . . . . 54 MET H . 18693 1 570 . 1 1 54 54 MET HA H 1 4.370 0.023 . 1 . . . . 54 MET HA . 18693 1 571 . 1 1 54 54 MET HB2 H 1 2.090 0.000 . 2 . . . . 54 MET HB2 . 18693 1 572 . 1 1 54 54 MET HB3 H 1 2.090 0.000 . 2 . . . . 54 MET HB3 . 18693 1 573 . 1 1 54 54 MET HG2 H 1 2.408 0.000 . 2 . . . . 54 MET HG2 . 18693 1 574 . 1 1 54 54 MET HG3 H 1 2.408 0.000 . 2 . . . . 54 MET HG3 . 18693 1 575 . 1 1 54 54 MET HE1 H 1 2.053 0.000 . 1 . . . . 54 MET HE . 18693 1 576 . 1 1 54 54 MET HE2 H 1 2.053 0.000 . 1 . . . . 54 MET HE . 18693 1 577 . 1 1 54 54 MET HE3 H 1 2.053 0.000 . 1 . . . . 54 MET HE . 18693 1 578 . 1 1 54 54 MET C C 13 176.217 0.000 . 1 . . . . 54 MET C . 18693 1 579 . 1 1 54 54 MET CA C 13 55.895 0.035 . 1 . . . . 54 MET CA . 18693 1 580 . 1 1 54 54 MET CB C 13 32.270 0.054 . 4 . . . . 54 MET CB . 18693 1 581 . 1 1 54 54 MET CG C 13 31.869 0.000 . 4 . . . . 54 MET CG . 18693 1 582 . 1 1 54 54 MET CE C 13 16.761 0.000 . 1 . . . . 54 MET CE . 18693 1 583 . 1 1 54 54 MET N N 15 119.225 0.000 . 1 . . . . 54 MET N . 18693 1 584 . 1 1 55 55 LEU H H 1 7.987 0.007 . 1 . . . . 55 LEU H . 18693 1 585 . 1 1 55 55 LEU HA H 1 4.303 0.000 . 5 . . . . 55 LEU HA . 18693 1 586 . 1 1 55 55 LEU HD11 H 1 0.886 0.000 . 2 . . . . 55 LEU HD1 . 18693 1 587 . 1 1 55 55 LEU HD12 H 1 0.886 0.000 . 2 . . . . 55 LEU HD1 . 18693 1 588 . 1 1 55 55 LEU HD13 H 1 0.886 0.000 . 2 . . . . 55 LEU HD1 . 18693 1 589 . 1 1 55 55 LEU HD21 H 1 0.886 0.000 . 2 . . . . 55 LEU HD2 . 18693 1 590 . 1 1 55 55 LEU HD22 H 1 0.886 0.000 . 2 . . . . 55 LEU HD2 . 18693 1 591 . 1 1 55 55 LEU HD23 H 1 0.886 0.000 . 2 . . . . 55 LEU HD2 . 18693 1 592 . 1 1 55 55 LEU C C 13 177.344 0.008 . 1 . . . . 55 LEU C . 18693 1 593 . 1 1 55 55 LEU CA C 13 55.668 0.000 . 1 . . . . 55 LEU CA . 18693 1 594 . 1 1 55 55 LEU CB C 13 41.839 0.089 . 1 . . . . 55 LEU CB . 18693 1 595 . 1 1 55 55 LEU N N 15 121.921 0.008 . 1 . . . . 55 LEU N . 18693 1 596 . 1 1 56 56 LEU H H 1 8.031 0.001 . 1 . . . . 56 LEU H . 18693 1 597 . 1 1 56 56 LEU HA H 1 4.300 0.000 . 1 . . . . 56 LEU HA . 18693 1 598 . 1 1 56 56 LEU HB2 H 1 1.697 0.000 . 1 . . . . 56 LEU HB2 . 18693 1 599 . 1 1 56 56 LEU HB3 H 1 1.587 0.000 . 1 . . . . 56 LEU HB3 . 18693 1 600 . 1 1 56 56 LEU HG H 1 1.564 0.000 . 1 . . . . 56 LEU HG . 18693 1 601 . 1 1 56 56 LEU HD11 H 1 0.876 0.000 . 2 . . . . 56 LEU HD1 . 18693 1 602 . 1 1 56 56 LEU HD12 H 1 0.876 0.000 . 2 . . . . 56 LEU HD1 . 18693 1 603 . 1 1 56 56 LEU HD13 H 1 0.876 0.000 . 2 . . . . 56 LEU HD1 . 18693 1 604 . 1 1 56 56 LEU HD21 H 1 0.876 0.000 . 2 . . . . 56 LEU HD2 . 18693 1 605 . 1 1 56 56 LEU HD22 H 1 0.876 0.000 . 2 . . . . 56 LEU HD2 . 18693 1 606 . 1 1 56 56 LEU HD23 H 1 0.876 0.000 . 2 . . . . 56 LEU HD2 . 18693 1 607 . 1 1 56 56 LEU C C 13 177.421 0.016 . 1 . . . . 56 LEU C . 18693 1 608 . 1 1 56 56 LEU CA C 13 55.316 0.003 . 1 . . . . 56 LEU CA . 18693 1 609 . 1 1 56 56 LEU CB C 13 41.781 0.013 . 1 . . . . 56 LEU CB . 18693 1 610 . 1 1 56 56 LEU CG C 13 26.482 0.000 . 1 . . . . 56 LEU CG . 18693 1 611 . 1 1 56 56 LEU CD1 C 13 24.759 0.000 . 2 . . . . 56 LEU CD1 . 18693 1 612 . 1 1 56 56 LEU CD2 C 13 24.759 0.000 . 2 . . . . 56 LEU CD2 . 18693 1 613 . 1 1 56 56 LEU N N 15 120.900 0.016 . 1 . . . . 56 LEU N . 18693 1 614 . 1 1 57 57 LYS H H 1 7.994 0.005 . 1 . . . . 57 LYS H . 18693 1 615 . 1 1 57 57 LYS HA H 1 4.254 0.000 . 1 . . . . 57 LYS HA . 18693 1 616 . 1 1 57 57 LYS HB2 H 1 1.855 0.000 . 2 . . . . 57 LYS HB2 . 18693 1 617 . 1 1 57 57 LYS HB3 H 1 1.855 0.000 . 2 . . . . 57 LYS HB3 . 18693 1 618 . 1 1 57 57 LYS HG2 H 1 1.437 0.000 . 2 . . . . 57 LYS HG2 . 18693 1 619 . 1 1 57 57 LYS HG3 H 1 1.437 0.000 . 2 . . . . 57 LYS HG3 . 18693 1 620 . 1 1 57 57 LYS HD2 H 1 1.699 0.000 . 2 . . . . 57 LYS HD2 . 18693 1 621 . 1 1 57 57 LYS HD3 H 1 1.699 0.000 . 2 . . . . 57 LYS HD3 . 18693 1 622 . 1 1 57 57 LYS HE2 H 1 3.017 0.000 . 2 . . . . 57 LYS HE2 . 18693 1 623 . 1 1 57 57 LYS HE3 H 1 3.017 0.000 . 2 . . . . 57 LYS HE3 . 18693 1 624 . 1 1 57 57 LYS C C 13 176.269 0.000 . 1 . . . . 57 LYS C . 18693 1 625 . 1 1 57 57 LYS CA C 13 56.767 0.024 . 1 . . . . 57 LYS CA . 18693 1 626 . 1 1 57 57 LYS CB C 13 32.389 0.063 . 1 . . . . 57 LYS CB . 18693 1 627 . 1 1 57 57 LYS CG C 13 24.374 0.000 . 1 . . . . 57 LYS CG . 18693 1 628 . 1 1 57 57 LYS CD C 13 28.967 0.000 . 1 . . . . 57 LYS CD . 18693 1 629 . 1 1 57 57 LYS CE C 13 39.758 0.000 . 1 . . . . 57 LYS CE . 18693 1 630 . 1 1 57 57 LYS N N 15 120.770 0.000 . 1 . . . . 57 LYS N . 18693 1 631 . 1 1 58 58 ASP H H 1 8.169 0.006 . 1 . . . . 58 ASP H . 18693 1 632 . 1 1 58 58 ASP HA H 1 4.623 0.018 . 1 . . . . 58 ASP HA . 18693 1 633 . 1 1 58 58 ASP HB2 H 1 2.836 0.000 . 1 . . . . 58 ASP HB2 . 18693 1 634 . 1 1 58 58 ASP HB3 H 1 2.761 0.000 . 1 . . . . 58 ASP HB3 . 18693 1 635 . 1 1 58 58 ASP C C 13 175.813 0.000 . 1 . . . . 58 ASP C . 18693 1 636 . 1 1 58 58 ASP CA C 13 53.963 0.007 . 1 . . . . 58 ASP CA . 18693 1 637 . 1 1 58 58 ASP CB C 13 39.839 0.000 . 1 . . . . 58 ASP CB . 18693 1 638 . 1 1 58 58 ASP N N 15 119.931 0.000 . 1 . . . . 58 ASP N . 18693 1 639 . 1 1 59 59 GLN H H 1 8.166 0.003 . 1 . . . . 59 GLN H . 18693 1 640 . 1 1 59 59 GLN HA H 1 4.293 0.001 . 1 . . . . 59 GLN HA . 18693 1 641 . 1 1 59 59 GLN HB2 H 1 2.175 0.001 . 1 . . . . 59 GLN HB2 . 18693 1 642 . 1 1 59 59 GLN HB3 H 1 2.032 0.003 . 1 . . . . 59 GLN HB3 . 18693 1 643 . 1 1 59 59 GLN HG2 H 1 2.382 0.000 . 2 . . . . 59 GLN HG2 . 18693 1 644 . 1 1 59 59 GLN HG3 H 1 2.382 0.000 . 2 . . . . 59 GLN HG3 . 18693 1 645 . 1 1 59 59 GLN C C 13 175.841 0.000 . 1 . . . . 59 GLN C . 18693 1 646 . 1 1 59 59 GLN CA C 13 56.001 0.095 . 1 . . . . 59 GLN CA . 18693 1 647 . 1 1 59 59 GLN CB C 13 28.963 0.025 . 1 . . . . 59 GLN CB . 18693 1 648 . 1 1 59 59 GLN CG C 13 33.588 0.000 . 1 . . . . 59 GLN CG . 18693 1 649 . 1 1 59 59 GLN N N 15 120.375 0.000 . 1 . . . . 59 GLN N . 18693 1 650 . 1 1 60 60 ALA H H 1 8.195 0.002 . 1 . . . . 60 ALA H . 18693 1 651 . 1 1 60 60 ALA HA H 1 4.289 0.001 . 1 . . . . 60 ALA HA . 18693 1 652 . 1 1 60 60 ALA HB1 H 1 1.406 0.023 . 1 . . . . 60 ALA HB . 18693 1 653 . 1 1 60 60 ALA HB2 H 1 1.406 0.023 . 1 . . . . 60 ALA HB . 18693 1 654 . 1 1 60 60 ALA HB3 H 1 1.406 0.023 . 1 . . . . 60 ALA HB . 18693 1 655 . 1 1 60 60 ALA C C 13 177.468 0.017 . 1 . . . . 60 ALA C . 18693 1 656 . 1 1 60 60 ALA CA C 13 52.774 0.125 . 1 . . . . 60 ALA CA . 18693 1 657 . 1 1 60 60 ALA CB C 13 18.604 0.066 . 1 . . . . 60 ALA CB . 18693 1 658 . 1 1 60 60 ALA N N 15 123.948 0.017 . 1 . . . . 60 ALA N . 18693 1 659 . 1 1 61 61 ASN H H 1 8.228 0.004 . 1 . . . . 61 ASN H . 18693 1 660 . 1 1 61 61 ASN HA H 1 4.762 0.000 . 1 . . . . 61 ASN HA . 18693 1 661 . 1 1 61 61 ASN HB2 H 1 2.905 0.001 . 1 . . . . 61 ASN HB2 . 18693 1 662 . 1 1 61 61 ASN HB3 H 1 2.816 0.001 . 1 . . . . 61 ASN HB3 . 18693 1 663 . 1 1 61 61 ASN C C 13 175.127 0.021 . 1 . . . . 61 ASN C . 18693 1 664 . 1 1 61 61 ASN CA C 13 52.962 0.040 . 1 . . . . 61 ASN CA . 18693 1 665 . 1 1 61 61 ASN CB C 13 38.505 0.043 . 1 . . . . 61 ASN CB . 18693 1 666 . 1 1 61 61 ASN N N 15 117.129 0.021 . 1 . . . . 61 ASN N . 18693 1 667 . 1 1 62 62 SER H H 1 8.151 0.003 . 1 . . . . 62 SER H . 18693 1 668 . 1 1 62 62 SER HA H 1 4.447 0.001 . 1 . . . . 62 SER HA . 18693 1 669 . 1 1 62 62 SER HB2 H 1 3.977 0.001 . 1 . . . . 62 SER HB2 . 18693 1 670 . 1 1 62 62 SER HB3 H 1 3.922 0.001 . 1 . . . . 62 SER HB3 . 18693 1 671 . 1 1 62 62 SER C C 13 174.872 0.000 . 1 . . . . 62 SER C . 18693 1 672 . 1 1 62 62 SER CA C 13 58.565 0.020 . 1 . . . . 62 SER CA . 18693 1 673 . 1 1 62 62 SER CB C 13 63.479 0.062 . 1 . . . . 62 SER CB . 18693 1 674 . 1 1 62 62 SER N N 15 115.839 0.000 . 1 . . . . 62 SER N . 18693 1 675 . 1 1 63 63 GLY H H 1 8.416 0.004 . 1 . . . . 63 GLY H . 18693 1 676 . 1 1 63 63 GLY HA2 H 1 3.979 0.001 . 2 . . . . 63 GLY HA2 . 18693 1 677 . 1 1 63 63 GLY HA3 H 1 3.979 0.001 . 2 . . . . 63 GLY HA3 . 18693 1 678 . 1 1 63 63 GLY C C 13 173.935 0.034 . 1 . . . . 63 GLY C . 18693 1 679 . 1 1 63 63 GLY CA C 13 45.234 0.033 . 1 . . . . 63 GLY CA . 18693 1 680 . 1 1 63 63 GLY N N 15 110.697 0.034 . 1 . . . . 63 GLY N . 18693 1 681 . 1 1 64 64 GLN H H 1 8.101 0.003 . 1 . . . . 64 GLN H . 18693 1 682 . 1 1 64 64 GLN HA H 1 4.286 0.001 . 1 . . . . 64 GLN HA . 18693 1 683 . 1 1 64 64 GLN HB2 H 1 2.076 0.001 . 1 . . . . 64 GLN HB2 . 18693 1 684 . 1 1 64 64 GLN HB3 H 1 1.950 0.002 . 1 . . . . 64 GLN HB3 . 18693 1 685 . 1 1 64 64 GLN HG2 H 1 2.331 0.000 . 2 . . . . 64 GLN HG2 . 18693 1 686 . 1 1 64 64 GLN HG3 H 1 2.331 0.000 . 2 . . . . 64 GLN HG3 . 18693 1 687 . 1 1 64 64 GLN C C 13 175.756 0.016 . 1 . . . . 64 GLN C . 18693 1 688 . 1 1 64 64 GLN CA C 13 55.792 0.052 . 1 . . . . 64 GLN CA . 18693 1 689 . 1 1 64 64 GLN CB C 13 28.715 0.100 . 1 . . . . 64 GLN CB . 18693 1 690 . 1 1 64 64 GLN CG C 13 33.498 0.000 . 1 . . . . 64 GLN CG . 18693 1 691 . 1 1 64 64 GLN N N 15 119.528 0.016 . 1 . . . . 64 GLN N . 18693 1 692 . 1 1 65 65 HIS H H 1 8.454 0.004 . 1 . . . . 65 HIS H . 18693 1 693 . 1 1 65 65 HIS HA H 1 4.657 0.027 . 1 . . . . 65 HIS HA . 18693 1 694 . 1 1 65 65 HIS HB2 H 1 3.313 0.002 . 1 . . . . 65 HIS HB2 . 18693 1 695 . 1 1 65 65 HIS HB3 H 1 3.208 0.003 . 1 . . . . 65 HIS HB3 . 18693 1 696 . 1 1 65 65 HIS C C 13 173.971 0.022 . 1 . . . . 65 HIS C . 18693 1 697 . 1 1 65 65 HIS CA C 13 55.260 0.033 . 1 . . . . 65 HIS CA . 18693 1 698 . 1 1 65 65 HIS CB C 13 28.504 0.020 . 1 . . . . 65 HIS CB . 18693 1 699 . 1 1 65 65 HIS N N 15 118.914 0.022 . 1 . . . . 65 HIS N . 18693 1 700 . 1 1 66 66 GLU H H 1 8.336 0.005 . 1 . . . . 66 GLU H . 18693 1 701 . 1 1 66 66 GLU HA H 1 4.335 0.002 . 1 . . . . 66 GLU HA . 18693 1 702 . 1 1 66 66 GLU HB2 H 1 2.083 0.004 . 1 . . . . 66 GLU HB2 . 18693 1 703 . 1 1 66 66 GLU HB3 H 1 1.995 0.004 . 1 . . . . 66 GLU HB3 . 18693 1 704 . 1 1 66 66 GLU HG2 H 1 2.358 0.000 . 2 . . . . 66 GLU HG2 . 18693 1 705 . 1 1 66 66 GLU HG3 H 1 2.358 0.000 . 2 . . . . 66 GLU HG3 . 18693 1 706 . 1 1 66 66 GLU C C 13 175.812 0.000 . 1 . . . . 66 GLU C . 18693 1 707 . 1 1 66 66 GLU CA C 13 56.187 0.000 . 1 . . . . 66 GLU CA . 18693 1 708 . 1 1 66 66 GLU CB C 13 29.187 0.029 . 1 . . . . 66 GLU CB . 18693 1 709 . 1 1 66 66 GLU CG C 13 34.311 0.000 . 1 . . . . 66 GLU CG . 18693 1 710 . 1 1 66 66 GLU N N 15 120.908 0.000 . 1 . . . . 66 GLU N . 18693 1 711 . 1 1 67 67 LEU H H 1 8.233 0.003 . 1 . . . . 67 LEU H . 18693 1 712 . 1 1 67 67 LEU HA H 1 4.335 0.001 . 1 . . . . 67 LEU HA . 18693 1 713 . 1 1 67 67 LEU HB2 H 1 1.642 0.000 . 1 . . . . 67 LEU HB2 . 18693 1 714 . 1 1 67 67 LEU HB3 H 1 1.587 0.000 . 4 . . . . 67 LEU HB3 . 18693 1 715 . 1 1 67 67 LEU HG H 1 1.613 0.000 . 4 . . . . 67 LEU HG . 18693 1 716 . 1 1 67 67 LEU HD11 H 1 0.917 0.000 . 1 . . . . 67 LEU HD1 . 18693 1 717 . 1 1 67 67 LEU HD12 H 1 0.917 0.000 . 1 . . . . 67 LEU HD1 . 18693 1 718 . 1 1 67 67 LEU HD13 H 1 0.917 0.000 . 1 . . . . 67 LEU HD1 . 18693 1 719 . 1 1 67 67 LEU HD21 H 1 0.846 0.028 . 1 . . . . 67 LEU HD2 . 18693 1 720 . 1 1 67 67 LEU HD22 H 1 0.846 0.028 . 1 . . . . 67 LEU HD2 . 18693 1 721 . 1 1 67 67 LEU HD23 H 1 0.846 0.028 . 1 . . . . 67 LEU HD2 . 18693 1 722 . 1 1 67 67 LEU C C 13 176.938 0.017 . 1 . . . . 67 LEU C . 18693 1 723 . 1 1 67 67 LEU CA C 13 55.356 0.081 . 1 . . . . 67 LEU CA . 18693 1 724 . 1 1 67 67 LEU CB C 13 42.071 0.078 . 1 . . . . 67 LEU CB . 18693 1 725 . 1 1 67 67 LEU CG C 13 26.497 0.000 . 1 . . . . 67 LEU CG . 18693 1 726 . 1 1 67 67 LEU CD1 C 13 24.730 0.000 . 1 . . . . 67 LEU CD1 . 18693 1 727 . 1 1 67 67 LEU CD2 C 13 23.584 0.045 . 1 . . . . 67 LEU CD2 . 18693 1 728 . 1 1 67 67 LEU N N 15 123.889 0.017 . 1 . . . . 67 LEU N . 18693 1 729 . 1 1 68 68 LYS H H 1 8.241 0.004 . 1 . . . . 68 LYS H . 18693 1 730 . 1 1 68 68 LYS HA H 1 4.312 0.000 . 1 . . . . 68 LYS HA . 18693 1 731 . 1 1 68 68 LYS HB2 H 1 1.803 0.000 . 2 . . . . 68 LYS HB2 . 18693 1 732 . 1 1 68 68 LYS HB3 H 1 1.803 0.000 . 2 . . . . 68 LYS HB3 . 18693 1 733 . 1 1 68 68 LYS HG2 H 1 1.411 0.000 . 2 . . . . 68 LYS HG2 . 18693 1 734 . 1 1 68 68 LYS HG3 H 1 1.411 0.000 . 2 . . . . 68 LYS HG3 . 18693 1 735 . 1 1 68 68 LYS HD2 H 1 1.686 0.000 . 2 . . . . 68 LYS HD2 . 18693 1 736 . 1 1 68 68 LYS HD3 H 1 1.686 0.000 . 2 . . . . 68 LYS HD3 . 18693 1 737 . 1 1 68 68 LYS HE2 H 1 2.995 0.000 . 2 . . . . 68 LYS HE2 . 18693 1 738 . 1 1 68 68 LYS HE3 H 1 2.995 0.000 . 2 . . . . 68 LYS HE3 . 18693 1 739 . 1 1 68 68 LYS C C 13 176.217 0.031 . 1 . . . . 68 LYS C . 18693 1 740 . 1 1 68 68 LYS CA C 13 56.147 0.000 . 1 . . . . 68 LYS CA . 18693 1 741 . 1 1 68 68 LYS CB C 13 32.341 0.054 . 1 . . . . 68 LYS CB . 18693 1 742 . 1 1 68 68 LYS CG C 13 24.610 0.000 . 1 . . . . 68 LYS CG . 18693 1 743 . 1 1 68 68 LYS CD C 13 29.064 0.000 . 1 . . . . 68 LYS CD . 18693 1 744 . 1 1 68 68 LYS CE C 13 44.068 0.000 . 1 . . . . 68 LYS CE . 18693 1 745 . 1 1 68 68 LYS N N 15 122.042 0.031 . 1 . . . . 68 LYS N . 18693 1 746 . 1 1 69 69 LEU H H 1 8.074 0.003 . 1 . . . . 69 LEU H . 18693 1 747 . 1 1 69 69 LEU HA H 1 4.364 0.006 . 1 . . . . 69 LEU HA . 18693 1 748 . 1 1 69 69 LEU HB2 H 1 1.638 0.000 . 1 . . . . 69 LEU HB2 . 18693 1 749 . 1 1 69 69 LEU HB3 H 1 1.636 0.000 . 1 . . . . 69 LEU HB3 . 18693 1 750 . 1 1 69 69 LEU HG H 1 1.517 0.000 . 1 . . . . 69 LEU HG . 18693 1 751 . 1 1 69 69 LEU HD11 H 1 0.905 0.000 . 1 . . . . 69 LEU HD1 . 18693 1 752 . 1 1 69 69 LEU HD12 H 1 0.905 0.000 . 1 . . . . 69 LEU HD1 . 18693 1 753 . 1 1 69 69 LEU HD13 H 1 0.905 0.000 . 1 . . . . 69 LEU HD1 . 18693 1 754 . 1 1 69 69 LEU HD21 H 1 0.821 0.016 . 1 . . . . 69 LEU HD2 . 18693 1 755 . 1 1 69 69 LEU HD22 H 1 0.821 0.016 . 1 . . . . 69 LEU HD2 . 18693 1 756 . 1 1 69 69 LEU HD23 H 1 0.821 0.016 . 1 . . . . 69 LEU HD2 . 18693 1 757 . 1 1 69 69 LEU C C 13 177.121 0.012 . 1 . . . . 69 LEU C . 18693 1 758 . 1 1 69 69 LEU CA C 13 55.124 0.099 . 1 . . . . 69 LEU CA . 18693 1 759 . 1 1 69 69 LEU CB C 13 42.051 0.032 . 1 . . . . 69 LEU CB . 18693 1 760 . 1 1 69 69 LEU CG C 13 26.518 0.000 . 1 . . . . 69 LEU CG . 18693 1 761 . 1 1 69 69 LEU CD1 C 13 24.542 0.000 . 1 . . . . 69 LEU CD1 . 18693 1 762 . 1 1 69 69 LEU CD2 C 13 23.215 0.032 . 1 . . . . 69 LEU CD2 . 18693 1 763 . 1 1 69 69 LEU N N 15 122.657 0.012 . 1 . . . . 69 LEU N . 18693 1 764 . 1 1 70 70 SER H H 1 8.161 0.005 . 1 . . . . 70 SER H . 18693 1 765 . 1 1 70 70 SER HA H 1 4.436 0.004 . 1 . . . . 70 SER HA . 18693 1 766 . 1 1 70 70 SER HB2 H 1 3.978 0.000 . 1 . . . . 70 SER HB2 . 18693 1 767 . 1 1 70 70 SER HB3 H 1 3.885 0.000 . 1 . . . . 70 SER HB3 . 18693 1 768 . 1 1 70 70 SER C C 13 174.953 0.000 . 1 . . . . 70 SER C . 18693 1 769 . 1 1 70 70 SER CA C 13 58.713 0.093 . 1 . . . . 70 SER CA . 18693 1 770 . 1 1 70 70 SER CB C 13 63.320 0.000 . 1 . . . . 70 SER CB . 18693 1 771 . 1 1 70 70 SER N N 15 116.020 0.000 . 1 . . . . 70 SER N . 18693 1 772 . 1 1 71 71 LYS H H 1 8.151 0.005 . 1 . . . . 71 LYS H . 18693 1 773 . 1 1 71 71 LYS HA H 1 4.224 0.001 . 1 . . . . 71 LYS HA . 18693 1 774 . 1 1 71 71 LYS HB2 H 1 1.688 0.000 . 2 . . . . 71 LYS HB2 . 18693 1 775 . 1 1 71 71 LYS HB3 H 1 1.688 0.000 . 2 . . . . 71 LYS HB3 . 18693 1 776 . 1 1 71 71 LYS HG2 H 1 1.250 0.016 . 2 . . . . 71 LYS HG2 . 18693 1 777 . 1 1 71 71 LYS HG3 H 1 1.250 0.016 . 2 . . . . 71 LYS HG3 . 18693 1 778 . 1 1 71 71 LYS HD2 H 1 1.602 0.019 . 2 . . . . 71 LYS HD2 . 18693 1 779 . 1 1 71 71 LYS HD3 H 1 1.602 0.019 . 2 . . . . 71 LYS HD3 . 18693 1 780 . 1 1 71 71 LYS HE2 H 1 2.935 0.014 . 2 . . . . 71 LYS HE2 . 18693 1 781 . 1 1 71 71 LYS HE3 H 1 2.935 0.014 . 2 . . . . 71 LYS HE3 . 18693 1 782 . 1 1 71 71 LYS C C 13 176.271 0.050 . 1 . . . . 71 LYS C . 18693 1 783 . 1 1 71 71 LYS CA C 13 56.965 0.112 . 1 . . . . 71 LYS CA . 18693 1 784 . 1 1 71 71 LYS CB C 13 32.120 0.000 . 1 . . . . 71 LYS CB . 18693 1 785 . 1 1 71 71 LYS CG C 13 24.355 0.000 . 1 . . . . 71 LYS CG . 18693 1 786 . 1 1 71 71 LYS CD C 13 28.633 0.000 . 1 . . . . 71 LYS CD . 18693 1 787 . 1 1 71 71 LYS CE C 13 41.734 0.000 . 1 . . . . 71 LYS CE . 18693 1 788 . 1 1 71 71 LYS N N 15 122.418 0.050 . 1 . . . . 71 LYS N . 18693 1 789 . 1 1 72 72 PHE H H 1 7.935 0.004 . 1 . . . . 72 PHE H . 18693 1 790 . 1 1 72 72 PHE HA H 1 4.547 0.000 . 1 . . . . 72 PHE HA . 18693 1 791 . 1 1 72 72 PHE HB2 H 1 3.077 0.000 . 1 . . . . 72 PHE HB2 . 18693 1 792 . 1 1 72 72 PHE HB3 H 1 2.942 0.000 . 1 . . . . 72 PHE HB3 . 18693 1 793 . 1 1 72 72 PHE C C 13 175.277 0.000 . 1 . . . . 72 PHE C . 18693 1 794 . 1 1 72 72 PHE CA C 13 57.927 0.113 . 1 . . . . 72 PHE CA . 18693 1 795 . 1 1 72 72 PHE CB C 13 39.068 0.066 . 1 . . . . 72 PHE CB . 18693 1 796 . 1 1 72 72 PHE N N 15 119.577 0.000 . 1 . . . . 72 PHE N . 18693 1 797 . 1 1 73 73 PHE H H 1 7.992 0.004 . 1 . . . . 73 PHE H . 18693 1 798 . 1 1 73 73 PHE HA H 1 4.485 0.000 . 1 . . . . 73 PHE HA . 18693 1 799 . 1 1 73 73 PHE HB2 H 1 3.177 0.000 . 1 . . . . 73 PHE HB2 . 18693 1 800 . 1 1 73 73 PHE HB3 H 1 3.084 0.000 . 1 . . . . 73 PHE HB3 . 18693 1 801 . 1 1 73 73 PHE C C 13 176.112 0.000 . 1 . . . . 73 PHE C . 18693 1 802 . 1 1 73 73 PHE CA C 13 58.336 0.100 . 1 . . . . 73 PHE CA . 18693 1 803 . 1 1 73 73 PHE CB C 13 39.072 0.095 . 1 . . . . 73 PHE CB . 18693 1 804 . 1 1 73 73 PHE N N 15 120.028 0.000 . 1 . . . . 73 PHE N . 18693 1 805 . 1 1 74 74 THR H H 1 8.055 0.007 . 1 . . . . 74 THR H . 18693 1 806 . 1 1 74 74 THR HA H 1 4.207 0.010 . 4 . . . . 74 THR HA . 18693 1 807 . 1 1 74 74 THR HB H 1 4.210 0.020 . 4 . . . . 74 THR HB . 18693 1 808 . 1 1 74 74 THR HG21 H 1 1.222 0.000 . 1 . . . . 74 THR HG2 . 18693 1 809 . 1 1 74 74 THR HG22 H 1 1.222 0.000 . 1 . . . . 74 THR HG2 . 18693 1 810 . 1 1 74 74 THR HG23 H 1 1.222 0.000 . 1 . . . . 74 THR HG2 . 18693 1 811 . 1 1 74 74 THR C C 13 174.397 0.000 . 1 . . . . 74 THR C . 18693 1 812 . 1 1 74 74 THR CA C 13 62.839 0.040 . 1 . . . . 74 THR CA . 18693 1 813 . 1 1 74 74 THR CB C 13 69.183 0.057 . 1 . . . . 74 THR CB . 18693 1 814 . 1 1 74 74 THR CG2 C 13 21.385 0.000 . 1 . . . . 74 THR CG2 . 18693 1 815 . 1 1 74 74 THR N N 15 115.711 0.000 . 1 . . . . 74 THR N . 18693 1 816 . 1 1 75 75 ALA H H 1 8.016 0.005 . 1 . . . . 75 ALA H . 18693 1 817 . 1 1 75 75 ALA HA H 1 4.276 0.001 . 1 . . . . 75 ALA HA . 18693 1 818 . 1 1 75 75 ALA HB1 H 1 1.419 0.015 . 1 . . . . 75 ALA HB . 18693 1 819 . 1 1 75 75 ALA HB2 H 1 1.419 0.015 . 1 . . . . 75 ALA HB . 18693 1 820 . 1 1 75 75 ALA HB3 H 1 1.419 0.015 . 1 . . . . 75 ALA HB . 18693 1 821 . 1 1 75 75 ALA C C 13 177.804 0.000 . 1 . . . . 75 ALA C . 18693 1 822 . 1 1 75 75 ALA CA C 13 52.975 0.025 . 1 . . . . 75 ALA CA . 18693 1 823 . 1 1 75 75 ALA CB C 13 18.648 0.096 . 1 . . . . 75 ALA CB . 18693 1 824 . 1 1 75 75 ALA N N 15 125.560 0.000 . 1 . . . . 75 ALA N . 18693 1 825 . 1 1 76 76 LEU H H 1 7.989 0.004 . 1 . . . . 76 LEU H . 18693 1 826 . 1 1 76 76 LEU HA H 1 4.236 0.000 . 1 . . . . 76 LEU HA . 18693 1 827 . 1 1 76 76 LEU HB2 H 1 1.579 0.000 . 2 . . . . 76 LEU HB2 . 18693 1 828 . 1 1 76 76 LEU HB3 H 1 1.579 0.000 . 4 . . . . 76 LEU HB3 . 18693 1 829 . 1 1 76 76 LEU HG H 1 1.553 0.025 . 4 . . . . 76 LEU HG . 18693 1 830 . 1 1 76 76 LEU HD11 H 1 0.813 0.000 . 2 . . . . 76 LEU HD1 . 18693 1 831 . 1 1 76 76 LEU HD12 H 1 0.813 0.000 . 2 . . . . 76 LEU HD1 . 18693 1 832 . 1 1 76 76 LEU HD13 H 1 0.813 0.000 . 2 . . . . 76 LEU HD1 . 18693 1 833 . 1 1 76 76 LEU HD21 H 1 0.813 0.000 . 2 . . . . 76 LEU HD2 . 18693 1 834 . 1 1 76 76 LEU HD22 H 1 0.813 0.000 . 2 . . . . 76 LEU HD2 . 18693 1 835 . 1 1 76 76 LEU HD23 H 1 0.813 0.000 . 2 . . . . 76 LEU HD2 . 18693 1 836 . 1 1 76 76 LEU C C 13 177.790 0.011 . 1 . . . . 76 LEU C . 18693 1 837 . 1 1 76 76 LEU CA C 13 55.660 0.041 . 1 . . . . 76 LEU CA . 18693 1 838 . 1 1 76 76 LEU CB C 13 41.772 0.046 . 1 . . . . 76 LEU CB . 18693 1 839 . 1 1 76 76 LEU CG C 13 26.704 0.000 . 1 . . . . 76 LEU CG . 18693 1 840 . 1 1 76 76 LEU CD1 C 13 24.846 0.000 . 1 . . . . 76 LEU CD1 . 18693 1 841 . 1 1 76 76 LEU CD2 C 13 23.630 0.000 . 1 . . . . 76 LEU CD2 . 18693 1 842 . 1 1 76 76 LEU N N 15 119.773 0.011 . 1 . . . . 76 LEU N . 18693 1 843 . 1 1 77 77 SER H H 1 8.007 0.006 . 1 . . . . 77 SER H . 18693 1 844 . 1 1 77 77 SER HA H 1 4.393 0.000 . 1 . . . . 77 SER HA . 18693 1 845 . 1 1 77 77 SER HB2 H 1 3.909 0.010 . 2 . . . . 77 SER HB2 . 18693 1 846 . 1 1 77 77 SER HB3 H 1 3.909 0.010 . 2 . . . . 77 SER HB3 . 18693 1 847 . 1 1 77 77 SER C C 13 174.776 0.000 . 1 . . . . 77 SER C . 18693 1 848 . 1 1 77 77 SER CA C 13 59.029 0.018 . 1 . . . . 77 SER CA . 18693 1 849 . 1 1 77 77 SER CB C 13 63.314 0.092 . 1 . . . . 77 SER CB . 18693 1 850 . 1 1 77 77 SER N N 15 115.565 0.000 . 1 . . . . 77 SER N . 18693 1 851 . 1 1 78 78 LYS H H 1 8.006 0.006 . 1 . . . . 78 LYS H . 18693 1 852 . 1 1 78 78 LYS HA H 1 4.375 0.000 . 1 . . . . 78 LYS HA . 18693 1 853 . 1 1 78 78 LYS HB2 H 1 1.902 0.000 . 1 . . . . 78 LYS HB2 . 18693 1 854 . 1 1 78 78 LYS HB3 H 1 1.815 0.000 . 1 . . . . 78 LYS HB3 . 18693 1 855 . 1 1 78 78 LYS HG2 H 1 1.661 0.000 . 2 . . . . 78 LYS HG2 . 18693 1 856 . 1 1 78 78 LYS HG3 H 1 1.661 0.000 . 2 . . . . 78 LYS HG3 . 18693 1 857 . 1 1 78 78 LYS HE2 H 1 2.983 0.000 . 2 . . . . 78 LYS HE2 . 18693 1 858 . 1 1 78 78 LYS HE3 H 1 2.983 0.000 . 2 . . . . 78 LYS HE3 . 18693 1 859 . 1 1 78 78 LYS C C 13 176.505 0.012 . 1 . . . . 78 LYS C . 18693 1 860 . 1 1 78 78 LYS CA C 13 56.412 0.000 . 1 . . . . 78 LYS CA . 18693 1 861 . 1 1 78 78 LYS CB C 13 32.330 0.043 . 1 . . . . 78 LYS CB . 18693 1 862 . 1 1 78 78 LYS CG C 13 24.466 0.000 . 1 . . . . 78 LYS CG . 18693 1 863 . 1 1 78 78 LYS N N 15 121.821 0.012 . 1 . . . . 78 LYS N . 18693 1 864 . 1 1 79 79 CYS H H 1 8.128 0.004 . 1 . . . . 79 CYS H . 18693 1 865 . 1 1 79 79 CYS HA H 1 4.678 0.000 . 1 . . . . 79 CYS HA . 18693 1 866 . 1 1 79 79 CYS HB2 H 1 3.280 0.000 . 1 . . . . 79 CYS HB2 . 18693 1 867 . 1 1 79 79 CYS HB3 H 1 3.066 0.000 . 1 . . . . 79 CYS HB3 . 18693 1 868 . 1 1 79 79 CYS C C 13 174.649 0.071 . 1 . . . . 79 CYS C . 18693 1 869 . 1 1 79 79 CYS CA C 13 55.602 0.035 . 1 . . . . 79 CYS CA . 18693 1 870 . 1 1 79 79 CYS CB C 13 40.652 0.000 . 1 . . . . 79 CYS CB . 18693 1 871 . 1 1 79 79 CYS N N 15 118.468 0.071 . 1 . . . . 79 CYS N . 18693 1 872 . 1 1 80 80 GLY H H 1 8.259 0.005 . 1 . . . . 80 GLY H . 18693 1 873 . 1 1 80 80 GLY HA2 H 1 3.999 0.000 . 2 . . . . 80 GLY HA2 . 18693 1 874 . 1 1 80 80 GLY HA3 H 1 3.999 0.000 . 2 . . . . 80 GLY HA3 . 18693 1 875 . 1 1 80 80 GLY C C 13 173.344 0.053 . 1 . . . . 80 GLY C . 18693 1 876 . 1 1 80 80 GLY CA C 13 45.190 0.033 . 1 . . . . 80 GLY CA . 18693 1 877 . 1 1 80 80 GLY N N 15 110.109 0.053 . 1 . . . . 80 GLY N . 18693 1 878 . 1 1 81 81 ALA H H 1 8.029 0.004 . 1 . . . . 81 ALA H . 18693 1 879 . 1 1 81 81 ALA HA H 1 4.335 0.001 . 1 . . . . 81 ALA HA . 18693 1 880 . 1 1 81 81 ALA HB1 H 1 1.368 0.014 . 1 . . . . 81 ALA HB . 18693 1 881 . 1 1 81 81 ALA HB2 H 1 1.368 0.014 . 1 . . . . 81 ALA HB . 18693 1 882 . 1 1 81 81 ALA HB3 H 1 1.368 0.014 . 1 . . . . 81 ALA HB . 18693 1 883 . 1 1 81 81 ALA C C 13 177.291 0.004 . 1 . . . . 81 ALA C . 18693 1 884 . 1 1 81 81 ALA CA C 13 52.230 0.063 . 1 . . . . 81 ALA CA . 18693 1 885 . 1 1 81 81 ALA CB C 13 18.969 0.037 . 1 . . . . 81 ALA CB . 18693 1 886 . 1 1 81 81 ALA N N 15 123.652 0.004 . 1 . . . . 81 ALA N . 18693 1 887 . 1 1 82 82 GLN H H 1 8.285 0.003 . 1 . . . . 82 GLN H . 18693 1 888 . 1 1 82 82 GLN HA H 1 4.282 0.001 . 1 . . . . 82 GLN HA . 18693 1 889 . 1 1 82 82 GLN HB2 H 1 2.035 0.001 . 1 . . . . 82 GLN HB2 . 18693 1 890 . 1 1 82 82 GLN HB3 H 1 1.934 0.001 . 1 . . . . 82 GLN HB3 . 18693 1 891 . 1 1 82 82 GLN HG2 H 1 2.323 0.000 . 2 . . . . 82 GLN HG2 . 18693 1 892 . 1 1 82 82 GLN HG3 H 1 2.323 0.000 . 2 . . . . 82 GLN HG3 . 18693 1 893 . 1 1 82 82 GLN C C 13 175.160 0.009 . 1 . . . . 82 GLN C . 18693 1 894 . 1 1 82 82 GLN CA C 13 55.689 0.043 . 1 . . . . 82 GLN CA . 18693 1 895 . 1 1 82 82 GLN CB C 13 29.005 0.057 . 1 . . . . 82 GLN CB . 18693 1 896 . 1 1 82 82 GLN CG C 13 33.474 0.000 . 1 . . . . 82 GLN CG . 18693 1 897 . 1 1 82 82 GLN N N 15 118.856 0.009 . 1 . . . . 82 GLN N . 18693 1 898 . 1 1 83 83 ASN H H 1 8.243 0.004 . 1 . . . . 83 ASN H . 18693 1 899 . 1 1 83 83 ASN HA H 1 4.691 0.001 . 1 . . . . 83 ASN HA . 18693 1 900 . 1 1 83 83 ASN HB2 H 1 2.774 0.001 . 1 . . . . 83 ASN HB2 . 18693 1 901 . 1 1 83 83 ASN HB3 H 1 2.688 0.003 . 1 . . . . 83 ASN HB3 . 18693 1 902 . 1 1 83 83 ASN C C 13 174.226 0.000 . 1 . . . . 83 ASN C . 18693 1 903 . 1 1 83 83 ASN CA C 13 52.895 0.048 . 1 . . . . 83 ASN CA . 18693 1 904 . 1 1 83 83 ASN CB C 13 38.499 0.044 . 1 . . . . 83 ASN CB . 18693 1 905 . 1 1 83 83 ASN N N 15 119.030 0.000 . 1 . . . . 83 ASN N . 18693 1 906 . 1 1 84 84 TYR H H 1 7.949 0.004 . 1 . . . . 84 TYR H . 18693 1 907 . 1 1 84 84 TYR HA H 1 4.589 0.001 . 1 . . . . 84 TYR HA . 18693 1 908 . 1 1 84 84 TYR HB2 H 1 3.042 0.001 . 1 . . . . 84 TYR HB2 . 18693 1 909 . 1 1 84 84 TYR HB3 H 1 2.931 0.001 . 1 . . . . 84 TYR HB3 . 18693 1 910 . 1 1 84 84 TYR C C 13 174.891 0.040 . 1 . . . . 84 TYR C . 18693 1 911 . 1 1 84 84 TYR CA C 13 57.569 0.026 . 1 . . . . 84 TYR CA . 18693 1 912 . 1 1 84 84 TYR CB C 13 38.556 0.048 . 1 . . . . 84 TYR CB . 18693 1 913 . 1 1 84 84 TYR N N 15 120.274 0.040 . 1 . . . . 84 TYR N . 18693 1 914 . 1 1 85 85 GLN H H 1 8.180 0.003 . 1 . . . . 85 GLN H . 18693 1 915 . 1 1 85 85 GLN HA H 1 4.373 0.001 . 5 . . . . 85 GLN HA . 18693 1 916 . 1 1 85 85 GLN HB2 H 1 2.060 0.002 . 1 . . . . 85 GLN HB2 . 18693 1 917 . 1 1 85 85 GLN HB3 H 1 1.954 0.004 . 1 . . . . 85 GLN HB3 . 18693 1 918 . 1 1 85 85 GLN HG2 H 1 2.276 0.000 . 2 . . . . 85 GLN HG2 . 18693 1 919 . 1 1 85 85 GLN HG3 H 1 2.276 0.000 . 2 . . . . 85 GLN HG3 . 18693 1 920 . 1 1 85 85 GLN C C 13 175.105 0.049 . 1 . . . . 85 GLN C . 18693 1 921 . 1 1 85 85 GLN CA C 13 55.315 0.005 . 1 . . . . 85 GLN CA . 18693 1 922 . 1 1 85 85 GLN CB C 13 29.364 0.083 . 1 . . . . 85 GLN CB . 18693 1 923 . 1 1 85 85 GLN CG C 13 33.528 0.000 . 1 . . . . 85 GLN CG . 18693 1 924 . 1 1 85 85 GLN N N 15 121.987 0.049 . 1 . . . . 85 GLN N . 18693 1 925 . 1 1 86 86 VAL H H 1 8.037 0.004 . 1 . . . . 86 VAL H . 18693 1 926 . 1 1 86 86 VAL HA H 1 4.130 0.001 . 1 . . . . 86 VAL HA . 18693 1 927 . 1 1 86 86 VAL HB H 1 2.072 0.004 . 1 . . . . 86 VAL HB . 18693 1 928 . 1 1 86 86 VAL HG11 H 1 0.912 0.000 . 1 . . . . 86 VAL HG1 . 18693 1 929 . 1 1 86 86 VAL HG12 H 1 0.912 0.000 . 1 . . . . 86 VAL HG1 . 18693 1 930 . 1 1 86 86 VAL HG13 H 1 0.912 0.000 . 1 . . . . 86 VAL HG1 . 18693 1 931 . 1 1 86 86 VAL HG21 H 1 0.900 0.000 . 1 . . . . 86 VAL HG2 . 18693 1 932 . 1 1 86 86 VAL HG22 H 1 0.900 0.000 . 1 . . . . 86 VAL HG2 . 18693 1 933 . 1 1 86 86 VAL HG23 H 1 0.900 0.000 . 1 . . . . 86 VAL HG2 . 18693 1 934 . 1 1 86 86 VAL C C 13 175.279 0.060 . 1 . . . . 86 VAL C . 18693 1 935 . 1 1 86 86 VAL CA C 13 61.873 0.048 . 1 . . . . 86 VAL CA . 18693 1 936 . 1 1 86 86 VAL CB C 13 32.494 0.015 . 1 . . . . 86 VAL CB . 18693 1 937 . 1 1 86 86 VAL CG1 C 13 20.256 0.000 . 1 . . . . 86 VAL CG1 . 18693 1 938 . 1 1 86 86 VAL CG2 C 13 20.908 0.000 . 1 . . . . 86 VAL CG2 . 18693 1 939 . 1 1 86 86 VAL N N 15 120.901 0.060 . 1 . . . . 86 VAL N . 18693 1 940 . 1 1 87 87 ASP H H 1 8.400 0.005 . 1 . . . . 87 ASP H . 18693 1 941 . 1 1 87 87 ASP HA H 1 4.746 0.014 . 1 . . . . 87 ASP HA . 18693 1 942 . 1 1 87 87 ASP HB2 H 1 2.861 0.002 . 1 . . . . 87 ASP HB2 . 18693 1 943 . 1 1 87 87 ASP HB3 H 1 2.749 0.003 . 1 . . . . 87 ASP HB3 . 18693 1 944 . 1 1 87 87 ASP C C 13 175.607 0.032 . 1 . . . . 87 ASP C . 18693 1 945 . 1 1 87 87 ASP CA C 13 53.356 0.053 . 1 . . . . 87 ASP CA . 18693 1 946 . 1 1 87 87 ASP CB C 13 39.820 0.038 . 1 . . . . 87 ASP CB . 18693 1 947 . 1 1 87 87 ASP N N 15 123.291 0.032 . 1 . . . . 87 ASP N . 18693 1 948 . 1 1 88 88 THR H H 1 8.046 0.003 . 1 . . . . 88 THR H . 18693 1 949 . 1 1 88 88 THR HA H 1 4.279 0.000 . 4 . . . . 88 THR HA . 18693 1 950 . 1 1 88 88 THR HB H 1 4.245 0.033 . 4 . . . . 88 THR HB . 18693 1 951 . 1 1 88 88 THR HG21 H 1 1.176 0.021 . 1 . . . . 88 THR HG2 . 18693 1 952 . 1 1 88 88 THR HG22 H 1 1.176 0.021 . 1 . . . . 88 THR HG2 . 18693 1 953 . 1 1 88 88 THR HG23 H 1 1.176 0.021 . 1 . . . . 88 THR HG2 . 18693 1 954 . 1 1 88 88 THR C C 13 174.245 0.005 . 1 . . . . 88 THR C . 18693 1 955 . 1 1 88 88 THR CA C 13 61.793 0.044 . 1 . . . . 88 THR CA . 18693 1 956 . 1 1 88 88 THR CB C 13 69.224 0.088 . 1 . . . . 88 THR CB . 18693 1 957 . 1 1 88 88 THR CG2 C 13 21.359 0.070 . 1 . . . . 88 THR CG2 . 18693 1 958 . 1 1 88 88 THR N N 15 114.567 0.005 . 1 . . . . 88 THR N . 18693 1 959 . 1 1 89 89 VAL H H 1 8.005 0.003 . 1 . . . . 89 VAL H . 18693 1 960 . 1 1 89 89 VAL HA H 1 4.030 0.000 . 1 . . . . 89 VAL HA . 18693 1 961 . 1 1 89 89 VAL HB H 1 2.025 0.004 . 1 . . . . 89 VAL HB . 18693 1 962 . 1 1 89 89 VAL HG11 H 1 0.885 0.017 . 1 . . . . 89 VAL HG1 . 18693 1 963 . 1 1 89 89 VAL HG12 H 1 0.885 0.017 . 1 . . . . 89 VAL HG1 . 18693 1 964 . 1 1 89 89 VAL HG13 H 1 0.885 0.017 . 1 . . . . 89 VAL HG1 . 18693 1 965 . 1 1 89 89 VAL HG21 H 1 0.797 0.016 . 1 . . . . 89 VAL HG2 . 18693 1 966 . 1 1 89 89 VAL HG22 H 1 0.797 0.016 . 1 . . . . 89 VAL HG2 . 18693 1 967 . 1 1 89 89 VAL HG23 H 1 0.797 0.016 . 1 . . . . 89 VAL HG2 . 18693 1 968 . 1 1 89 89 VAL C C 13 175.367 0.000 . 1 . . . . 89 VAL C . 18693 1 969 . 1 1 89 89 VAL CA C 13 62.418 0.073 . 1 . . . . 89 VAL CA . 18693 1 970 . 1 1 89 89 VAL CB C 13 32.304 0.031 . 1 . . . . 89 VAL CB . 18693 1 971 . 1 1 89 89 VAL CG1 C 13 20.469 0.000 . 1 . . . . 89 VAL CG1 . 18693 1 972 . 1 1 89 89 VAL CG2 C 13 20.676 0.000 . 1 . . . . 89 VAL CG2 . 18693 1 973 . 1 1 89 89 VAL N N 15 121.871 0.000 . 1 . . . . 89 VAL N . 18693 1 974 . 1 1 90 90 ASN H H 1 8.248 0.003 . 1 . . . . 90 ASN H . 18693 1 975 . 1 1 90 90 ASN HA H 1 4.699 0.001 . 1 . . . . 90 ASN HA . 18693 1 976 . 1 1 90 90 ASN HB2 H 1 2.778 0.005 . 1 . . . . 90 ASN HB2 . 18693 1 977 . 1 1 90 90 ASN HB3 H 1 2.688 0.005 . 1 . . . . 90 ASN HB3 . 18693 1 978 . 1 1 90 90 ASN C C 13 174.413 0.018 . 1 . . . . 90 ASN C . 18693 1 979 . 1 1 90 90 ASN CA C 13 52.689 0.068 . 1 . . . . 90 ASN CA . 18693 1 980 . 1 1 90 90 ASN CB C 13 38.535 0.017 . 1 . . . . 90 ASN CB . 18693 1 981 . 1 1 90 90 ASN N N 15 121.250 0.018 . 1 . . . . 90 ASN N . 18693 1 982 . 1 1 91 91 TYR H H 1 7.912 0.007 . 1 . . . . 91 TYR H . 18693 1 983 . 1 1 91 91 TYR HA H 1 4.495 0.002 . 1 . . . . 91 TYR HA . 18693 1 984 . 1 1 91 91 TYR HB2 H 1 3.054 0.000 . 1 . . . . 91 TYR HB2 . 18693 1 985 . 1 1 91 91 TYR HB3 H 1 2.975 0.000 . 1 . . . . 91 TYR HB3 . 18693 1 986 . 1 1 91 91 TYR C C 13 174.896 0.024 . 1 . . . . 91 TYR C . 18693 1 987 . 1 1 91 91 TYR CA C 13 57.802 0.041 . 1 . . . . 91 TYR CA . 18693 1 988 . 1 1 91 91 TYR CB C 13 38.094 0.053 . 1 . . . . 91 TYR CB . 18693 1 989 . 1 1 91 91 TYR N N 15 120.545 0.024 . 1 . . . . 91 TYR N . 18693 1 990 . 1 1 92 92 ARG H H 1 7.995 0.007 . 1 . . . . 92 ARG H . 18693 1 991 . 1 1 92 92 ARG HA H 1 4.335 0.000 . 1 . . . . 92 ARG HA . 18693 1 992 . 1 1 92 92 ARG HB2 H 1 1.807 0.000 . 1 . . . . 92 ARG HB2 . 18693 1 993 . 1 1 92 92 ARG HB3 H 1 1.730 0.000 . 1 . . . . 92 ARG HB3 . 18693 1 994 . 1 1 92 92 ARG HG2 H 1 1.551 0.000 . 2 . . . . 92 ARG HG2 . 18693 1 995 . 1 1 92 92 ARG HG3 H 1 1.551 0.000 . 2 . . . . 92 ARG HG3 . 18693 1 996 . 1 1 92 92 ARG HD2 H 1 3.182 0.000 . 2 . . . . 92 ARG HD2 . 18693 1 997 . 1 1 92 92 ARG HD3 H 1 3.182 0.000 . 2 . . . . 92 ARG HD3 . 18693 1 998 . 1 1 92 92 ARG C C 13 175.282 0.026 . 1 . . . . 92 ARG C . 18693 1 999 . 1 1 92 92 ARG CA C 13 55.502 0.112 . 1 . . . . 92 ARG CA . 18693 1 1000 . 1 1 92 92 ARG CB C 13 30.691 0.033 . 1 . . . . 92 ARG CB . 18693 1 1001 . 1 1 92 92 ARG CG C 13 26.903 0.000 . 1 . . . . 92 ARG CG . 18693 1 1002 . 1 1 92 92 ARG CD C 13 43.136 0.000 . 1 . . . . 92 ARG CD . 18693 1 1003 . 1 1 92 92 ARG N N 15 121.497 0.026 . 1 . . . . 92 ARG N . 18693 1 1004 . 1 1 93 93 ILE H H 1 7.961 0.005 . 1 . . . . 93 ILE H . 18693 1 1005 . 1 1 93 93 ILE HA H 1 4.199 0.001 . 1 . . . . 93 ILE HA . 18693 1 1006 . 1 1 93 93 ILE HB H 1 1.837 0.001 . 1 . . . . 93 ILE HB . 18693 1 1007 . 1 1 93 93 ILE HG12 H 1 1.448 0.024 . 1 . . . . 93 ILE HG12 . 18693 1 1008 . 1 1 93 93 ILE HG13 H 1 1.149 0.016 . 1 . . . . 93 ILE HG13 . 18693 1 1009 . 1 1 93 93 ILE HG21 H 1 0.942 0.000 . 1 . . . . 93 ILE HG2 . 18693 1 1010 . 1 1 93 93 ILE HG22 H 1 0.942 0.000 . 1 . . . . 93 ILE HG2 . 18693 1 1011 . 1 1 93 93 ILE HG23 H 1 0.942 0.000 . 1 . . . . 93 ILE HG2 . 18693 1 1012 . 1 1 93 93 ILE HD11 H 1 0.831 0.020 . 1 . . . . 93 ILE HD1 . 18693 1 1013 . 1 1 93 93 ILE HD12 H 1 0.831 0.020 . 1 . . . . 93 ILE HD1 . 18693 1 1014 . 1 1 93 93 ILE HD13 H 1 0.831 0.020 . 1 . . . . 93 ILE HD1 . 18693 1 1015 . 1 1 93 93 ILE C C 13 175.349 0.000 . 1 . . . . 93 ILE C . 18693 1 1016 . 1 1 93 93 ILE CA C 13 60.476 0.081 . 1 . . . . 93 ILE CA . 18693 1 1017 . 1 1 93 93 ILE CB C 13 38.245 0.056 . 1 . . . . 93 ILE CB . 18693 1 1018 . 1 1 93 93 ILE CG1 C 13 27.024 0.094 . 1 . . . . 93 ILE CG1 . 18693 1 1019 . 1 1 93 93 ILE CG2 C 13 17.197 0.000 . 1 . . . . 93 ILE CG2 . 18693 1 1020 . 1 1 93 93 ILE CD1 C 13 12.733 0.055 . 1 . . . . 93 ILE CD1 . 18693 1 1021 . 1 1 93 93 ILE N N 15 121.470 0.000 . 1 . . . . 93 ILE N . 18693 1 1022 . 1 1 94 94 ILE H H 1 8.142 0.005 . 1 . . . . 94 ILE H . 18693 1 1023 . 1 1 94 94 ILE HA H 1 4.420 0.035 . 1 . . . . 94 ILE HA . 18693 1 1024 . 1 1 94 94 ILE HG12 H 1 1.481 0.000 . 1 . . . . 94 ILE HG12 . 18693 1 1025 . 1 1 94 94 ILE HG13 H 1 1.150 0.000 . 1 . . . . 94 ILE HG13 . 18693 1 1026 . 1 1 94 94 ILE HG21 H 1 0.774 0.000 . 1 . . . . 94 ILE HG2 . 18693 1 1027 . 1 1 94 94 ILE HG22 H 1 0.774 0.000 . 1 . . . . 94 ILE HG2 . 18693 1 1028 . 1 1 94 94 ILE HG23 H 1 0.774 0.000 . 1 . . . . 94 ILE HG2 . 18693 1 1029 . 1 1 94 94 ILE HD11 H 1 0.831 0.000 . 1 . . . . 94 ILE HD1 . 18693 1 1030 . 1 1 94 94 ILE HD12 H 1 0.831 0.000 . 1 . . . . 94 ILE HD1 . 18693 1 1031 . 1 1 94 94 ILE HD13 H 1 0.831 0.000 . 1 . . . . 94 ILE HD1 . 18693 1 1032 . 1 1 94 94 ILE C C 13 173.861 0.000 . 1 . . . . 94 ILE C . 18693 1 1033 . 1 1 94 94 ILE CA C 13 58.013 0.160 . 1 . . . . 94 ILE CA . 18693 1 1034 . 1 1 94 94 ILE CG1 C 13 26.710 0.001 . 1 . . . . 94 ILE CG1 . 18693 1 1035 . 1 1 94 94 ILE CD1 C 13 12.524 0.000 . 1 . . . . 94 ILE CD1 . 18693 1 1036 . 1 1 94 94 ILE N N 15 127.217 0.000 . 1 . . . . 94 ILE N . 18693 1 1037 . 1 1 95 95 PRO HA H 1 4.381 0.000 . 1 . . . . 95 PRO HA . 18693 1 1038 . 1 1 95 95 PRO HB3 H 1 1.811 0.000 . 1 . . . . 95 PRO HB3 . 18693 1 1039 . 1 1 95 95 PRO HG2 H 1 1.971 0.000 . 2 . . . . 95 PRO HG2 . 18693 1 1040 . 1 1 95 95 PRO HG3 H 1 1.971 0.000 . 2 . . . . 95 PRO HG3 . 18693 1 1041 . 1 1 95 95 PRO HD2 H 1 3.869 0.000 . 1 . . . . 95 PRO HD2 . 18693 1 1042 . 1 1 95 95 PRO HD3 H 1 3.678 0.000 . 1 . . . . 95 PRO HD3 . 18693 1 1043 . 1 1 95 95 PRO C C 13 175.974 0.000 . 1 . . . . 95 PRO C . 18693 1 1044 . 1 1 95 95 PRO CA C 13 62.653 0.060 . 1 . . . . 95 PRO CA . 18693 1 1045 . 1 1 95 95 PRO CB C 13 31.884 0.013 . 1 . . . . 95 PRO CB . 18693 1 1046 . 1 1 95 95 PRO CG C 13 26.888 0.000 . 1 . . . . 95 PRO CG . 18693 1 1047 . 1 1 96 96 HIS H H 1 8.395 0.005 . 1 . . . . 96 HIS H . 18693 1 1048 . 1 1 96 96 HIS HA H 1 4.615 0.022 . 1 . . . . 96 HIS HA . 18693 1 1049 . 1 1 96 96 HIS HB2 H 1 3.107 0.001 . 2 . . . . 96 HIS HB2 . 18693 1 1050 . 1 1 96 96 HIS HB3 H 1 3.107 0.001 . 2 . . . . 96 HIS HB3 . 18693 1 1051 . 1 1 96 96 HIS C C 13 173.313 0.035 . 1 . . . . 96 HIS C . 18693 1 1052 . 1 1 96 96 HIS CA C 13 54.670 0.099 . 1 . . . . 96 HIS CA . 18693 1 1053 . 1 1 96 96 HIS CB C 13 28.804 0.051 . 1 . . . . 96 HIS CB . 18693 1 1054 . 1 1 96 96 HIS N N 15 118.935 0.035 . 1 . . . . 96 HIS N . 18693 1 1055 . 1 1 97 97 ILE H H 1 7.966 0.004 . 1 . . . . 97 ILE H . 18693 1 1056 . 1 1 97 97 ILE HA H 1 4.164 0.000 . 1 . . . . 97 ILE HA . 18693 1 1057 . 1 1 97 97 ILE HB H 1 1.734 0.001 . 1 . . . . 97 ILE HB . 18693 1 1058 . 1 1 97 97 ILE HG12 H 1 1.322 0.016 . 1 . . . . 97 ILE HG12 . 18693 1 1059 . 1 1 97 97 ILE HG13 H 1 1.069 0.013 . 1 . . . . 97 ILE HG13 . 18693 1 1060 . 1 1 97 97 ILE HG21 H 1 0.798 0.001 . 1 . . . . 97 ILE HG2 . 18693 1 1061 . 1 1 97 97 ILE HG22 H 1 0.798 0.001 . 1 . . . . 97 ILE HG2 . 18693 1 1062 . 1 1 97 97 ILE HG23 H 1 0.798 0.001 . 1 . . . . 97 ILE HG2 . 18693 1 1063 . 1 1 97 97 ILE HD11 H 1 0.832 0.001 . 1 . . . . 97 ILE HD1 . 18693 1 1064 . 1 1 97 97 ILE HD12 H 1 0.832 0.001 . 1 . . . . 97 ILE HD1 . 18693 1 1065 . 1 1 97 97 ILE HD13 H 1 0.832 0.001 . 1 . . . . 97 ILE HD1 . 18693 1 1066 . 1 1 97 97 ILE C C 13 174.854 0.027 . 1 . . . . 97 ILE C . 18693 1 1067 . 1 1 97 97 ILE CA C 13 60.288 0.020 . 1 . . . . 97 ILE CA . 18693 1 1068 . 1 1 97 97 ILE CB C 13 38.523 0.025 . 1 . . . . 97 ILE CB . 18693 1 1069 . 1 1 97 97 ILE CG1 C 13 26.729 0.052 . 1 . . . . 97 ILE CG1 . 18693 1 1070 . 1 1 97 97 ILE CG2 C 13 17.085 0.000 . 1 . . . . 97 ILE CG2 . 18693 1 1071 . 1 1 97 97 ILE CD1 C 13 12.300 0.049 . 1 . . . . 97 ILE CD1 . 18693 1 1072 . 1 1 97 97 ILE N N 15 122.266 0.027 . 1 . . . . 97 ILE N . 18693 1 1073 . 1 1 98 98 TYR H H 1 8.270 0.004 . 1 . . . . 98 TYR H . 18693 1 1074 . 1 1 98 98 TYR HA H 1 4.506 0.015 . 1 . . . . 98 TYR HA . 18693 1 1075 . 1 1 98 98 TYR HB2 H 1 2.878 0.000 . 2 . . . . 98 TYR HB2 . 18693 1 1076 . 1 1 98 98 TYR HB3 H 1 2.878 0.000 . 2 . . . . 98 TYR HB3 . 18693 1 1077 . 1 1 98 98 TYR C C 13 173.431 0.000 . 1 . . . . 98 TYR C . 18693 1 1078 . 1 1 98 98 TYR CA C 13 55.384 0.130 . 1 . . . . 98 TYR CA . 18693 1 1079 . 1 1 98 98 TYR CB C 13 38.115 0.000 . 1 . . . . 98 TYR CB . 18693 1 1080 . 1 1 98 98 TYR N N 15 125.895 0.000 . 1 . . . . 98 TYR N . 18693 1 1081 . 1 1 99 99 PRO HA H 1 4.414 0.000 . 1 . . . . 99 PRO HA . 18693 1 1082 . 1 1 99 99 PRO HB2 H 1 2.273 0.000 . 2 . . . . 99 PRO HB2 . 18693 1 1083 . 1 1 99 99 PRO HB3 H 1 2.273 0.000 . 2 . . . . 99 PRO HB3 . 18693 1 1084 . 1 1 99 99 PRO HG2 H 1 2.022 0.000 . 2 . . . . 99 PRO HG2 . 18693 1 1085 . 1 1 99 99 PRO HG3 H 1 2.022 0.000 . 2 . . . . 99 PRO HG3 . 18693 1 1086 . 1 1 99 99 PRO HD2 H 1 3.844 0.000 . 1 . . . . 99 PRO HD2 . 18693 1 1087 . 1 1 99 99 PRO HD3 H 1 3.648 0.000 . 1 . . . . 99 PRO HD3 . 18693 1 1088 . 1 1 99 99 PRO C C 13 176.246 0.025 . 1 . . . . 99 PRO C . 18693 1 1089 . 1 1 99 99 PRO CA C 13 62.658 0.131 . 1 . . . . 99 PRO CA . 18693 1 1090 . 1 1 99 99 PRO CB C 13 31.734 0.112 . 1 . . . . 99 PRO CB . 18693 1 1091 . 1 1 99 99 PRO CG C 13 26.992 0.000 . 1 . . . . 99 PRO CG . 18693 1 1092 . 1 1 99 99 PRO CD C 13 50.326 0.000 . 1 . . . . 99 PRO CD . 18693 1 1093 . 1 1 100 100 LEU H H 1 8.150 0.004 . 1 . . . . 100 LEU H . 18693 1 1094 . 1 1 100 100 LEU HA H 1 4.289 0.000 . 1 . . . . 100 LEU HA . 18693 1 1095 . 1 1 100 100 LEU HB2 H 1 1.598 0.000 . 4 . . . . 100 LEU HB2 . 18693 1 1096 . 1 1 100 100 LEU HB3 H 1 1.500 0.001 . 1 . . . . 100 LEU HB3 . 18693 1 1097 . 1 1 100 100 LEU HG H 1 1.582 0.000 . 4 . . . . 100 LEU HG . 18693 1 1098 . 1 1 100 100 LEU HD11 H 1 0.913 0.000 . 1 . . . . 100 LEU HD1 . 18693 1 1099 . 1 1 100 100 LEU HD12 H 1 0.913 0.000 . 1 . . . . 100 LEU HD1 . 18693 1 1100 . 1 1 100 100 LEU HD13 H 1 0.913 0.000 . 1 . . . . 100 LEU HD1 . 18693 1 1101 . 1 1 100 100 LEU HD21 H 1 0.828 0.000 . 1 . . . . 100 LEU HD2 . 18693 1 1102 . 1 1 100 100 LEU HD22 H 1 0.828 0.000 . 1 . . . . 100 LEU HD2 . 18693 1 1103 . 1 1 100 100 LEU HD23 H 1 0.828 0.000 . 1 . . . . 100 LEU HD2 . 18693 1 1104 . 1 1 100 100 LEU C C 13 176.838 0.006 . 1 . . . . 100 LEU C . 18693 1 1105 . 1 1 100 100 LEU CA C 13 55.009 0.043 . 1 . . . . 100 LEU CA . 18693 1 1106 . 1 1 100 100 LEU CB C 13 42.199 0.046 . 1 . . . . 100 LEU CB . 18693 1 1107 . 1 1 100 100 LEU CG C 13 26.908 0.000 . 1 . . . . 100 LEU CG . 18693 1 1108 . 1 1 100 100 LEU CD1 C 13 24.397 0.014 . 1 . . . . 100 LEU CD1 . 18693 1 1109 . 1 1 100 100 LEU CD2 C 13 23.273 0.000 . 1 . . . . 100 LEU CD2 . 18693 1 1110 . 1 1 100 100 LEU N N 15 122.456 0.006 . 1 . . . . 100 LEU N . 18693 1 1111 . 1 1 101 101 HIS H H 1 8.404 0.007 . 1 . . . . 101 HIS H . 18693 1 1112 . 1 1 101 101 HIS HA H 1 4.763 0.000 . 1 . . . . 101 HIS HA . 18693 1 1113 . 1 1 101 101 HIS HB2 H 1 3.286 0.001 . 1 . . . . 101 HIS HB2 . 18693 1 1114 . 1 1 101 101 HIS HB3 H 1 3.201 0.001 . 1 . . . . 101 HIS HB3 . 18693 1 1115 . 1 1 101 101 HIS C C 13 173.598 0.041 . 1 . . . . 101 HIS C . 18693 1 1116 . 1 1 101 101 HIS CA C 13 54.681 0.000 . 1 . . . . 101 HIS CA . 18693 1 1117 . 1 1 101 101 HIS CB C 13 28.786 0.000 . 1 . . . . 101 HIS CB . 18693 1 1118 . 1 1 101 101 HIS N N 15 118.730 0.041 . 1 . . . . 101 HIS N . 18693 1 1119 . 1 1 102 102 SER H H 1 8.340 0.003 . 1 . . . . 102 SER H . 18693 1 1120 . 1 1 102 102 SER HA H 1 4.741 0.000 . 1 . . . . 102 SER HA . 18693 1 1121 . 1 1 102 102 SER HB2 H 1 3.878 0.000 . 1 . . . . 102 SER HB2 . 18693 1 1122 . 1 1 102 102 SER HB3 H 1 3.822 0.001 . 1 . . . . 102 SER HB3 . 18693 1 1123 . 1 1 102 102 SER C C 13 172.277 0.000 . 1 . . . . 102 SER C . 18693 1 1124 . 1 1 102 102 SER CA C 13 56.233 0.006 . 1 . . . . 102 SER CA . 18693 1 1125 . 1 1 102 102 SER CB C 13 62.975 0.021 . 1 . . . . 102 SER CB . 18693 1 1126 . 1 1 102 102 SER N N 15 119.210 0.000 . 1 . . . . 102 SER N . 18693 1 1127 . 1 1 103 103 PRO HA H 1 4.478 0.000 . 1 . . . . 103 PRO HA . 18693 1 1128 . 1 1 103 103 PRO HB2 H 1 2.310 0.000 . 1 . . . . 103 PRO HB2 . 18693 1 1129 . 1 1 103 103 PRO HB3 H 1 2.021 0.000 . 1 . . . . 103 PRO HB3 . 18693 1 1130 . 1 1 103 103 PRO HG2 H 1 1.938 0.000 . 2 . . . . 103 PRO HG2 . 18693 1 1131 . 1 1 103 103 PRO HG3 H 1 1.938 0.000 . 2 . . . . 103 PRO HG3 . 18693 1 1132 . 1 1 103 103 PRO HD2 H 1 3.782 0.000 . 1 . . . . 103 PRO HD2 . 18693 1 1133 . 1 1 103 103 PRO HD3 H 1 3.757 0.000 . 1 . . . . 103 PRO HD3 . 18693 1 1134 . 1 1 103 103 PRO C C 13 175.628 0.000 . 1 . . . . 103 PRO C . 18693 1 1135 . 1 1 103 103 PRO CA C 13 63.282 0.000 . 1 . . . . 103 PRO CA . 18693 1 1136 . 1 1 103 103 PRO CB C 13 31.782 0.000 . 1 . . . . 103 PRO CB . 18693 1 1137 . 1 1 103 103 PRO CG C 13 26.980 0.053 . 1 . . . . 103 PRO CG . 18693 1 1138 . 1 1 103 103 PRO CD C 13 50.490 0.015 . 1 . . . . 103 PRO CD . 18693 1 1139 . 1 1 104 104 LYS H H 1 7.835 0.012 . 1 . . . . 104 LYS H . 18693 1 1140 . 1 1 104 104 LYS HA H 1 4.171 0.021 . 1 . . . . 104 LYS HA . 18693 1 1141 . 1 1 104 104 LYS HB2 H 1 1.815 0.003 . 1 . . . . 104 LYS HB2 . 18693 1 1142 . 1 1 104 104 LYS HB3 H 1 1.715 0.001 . 1 . . . . 104 LYS HB3 . 18693 1 1143 . 1 1 104 104 LYS HG2 H 1 1.417 0.005 . 2 . . . . 104 LYS HG2 . 18693 1 1144 . 1 1 104 104 LYS HG3 H 1 1.417 0.005 . 2 . . . . 104 LYS HG3 . 18693 1 1145 . 1 1 104 104 LYS HD2 H 1 1.690 0.020 . 2 . . . . 104 LYS HD2 . 18693 1 1146 . 1 1 104 104 LYS HD3 H 1 1.690 0.020 . 2 . . . . 104 LYS HD3 . 18693 1 1147 . 1 1 104 104 LYS HE2 H 1 3.007 0.003 . 2 . . . . 104 LYS HE2 . 18693 1 1148 . 1 1 104 104 LYS HE3 H 1 3.007 0.003 . 2 . . . . 104 LYS HE3 . 18693 1 1149 . 1 1 104 104 LYS C C 13 175.563 0.000 . 1 . . . . 104 LYS C . 18693 1 1150 . 1 1 104 104 LYS CA C 13 56.985 0.120 . 1 . . . . 104 LYS CA . 18693 1 1151 . 1 1 104 104 LYS CB C 13 33.410 0.032 . 1 . . . . 104 LYS CB . 18693 1 1152 . 1 1 104 104 LYS CG C 13 24.372 0.000 . 1 . . . . 104 LYS CG . 18693 1 1153 . 1 1 104 104 LYS CD C 13 28.672 0.070 . 1 . . . . 104 LYS CD . 18693 1 1154 . 1 1 104 104 LYS CE C 13 41.621 0.000 . 1 . . . . 104 LYS CE . 18693 1 1155 . 1 1 104 104 LYS N N 15 125.399 0.000 . 1 . . . . 104 LYS N . 18693 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 259 18693 1 1 261 18693 1 2 374 18693 1 2 375 18693 1 3 438 18693 1 3 439 18693 1 4 540 18693 1 4 541 18693 1 5 545 18693 1 5 847 18693 1 6 664 18693 1 6 665 18693 1 7 748 18693 1 7 749 18693 1 8 766 18693 1 8 767 18693 1 9 877 18693 1 9 878 18693 1 10 1005 18693 1 10 1007 18693 1 stop_ save_