data_25964 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25964 _Entry.Title ; Structure of human islet amyloid polypeptide in complex with an engineered binding protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-26 _Entry.Accession_date 2016-01-26 _Entry.Last_release_date 2016-01-26 _Entry.Original_release_date 2016-01-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; An engineered binding protein to human islet amyloid polypeptide (IAPP), beta-wrapin HI18, was selected from a combinatorial protein library based on an engineered binding protein to the amyloid-beta peptide (pdb: 2OTK). The solution structure of the IAPP-HI18-complex reveals a beta-hairpin-conformation in the sequence region 12-28 of IAPP. The beta hairpin is a molecular recognition motif that can be targeted to achieve inhibition of IAPP fibrillation and toxicity. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ewa Mirecka . A. . . 25964 2 Sophie Feuerstein . . . . 25964 3 Matthias Stoldt . . . . 25964 4 Dieter Willbold . . . . 25964 5 Wolfgang Hoyer . . . . 25964 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25964 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute for Physical Biology' . 25964 2 . 'Institute of Complex Systems 6 - Structural Biochemistry' . 25964 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HORMONE . 25964 'PROT ENGINEERING' . 25964 amyloid . 25964 beta-hairpin . 25964 inhibitor . 25964 'protein aggregation' . 25964 'protein engineering' . 25964 'protein misfolding' . 25964 'type 2 diabetes' . 25964 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25964 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 354 25964 '15N chemical shifts' 121 25964 '1H chemical shifts' 565 25964 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-08-25 . original BMRB . 25964 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5fsf 'PDBe entry' 25964 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25964 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep33474 _Citation.PubMed_ID 27641459 _Citation.Full_citation . _Citation.Title ; beta-Hairpin of Islet Amyloid Polypeptide Bound to an Aggregation Inhibitor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 33474 _Citation.Page_last 33474 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ewa Mirecka E. A. . . 25964 1 2 Sophie Feuerstein S. . . . 25964 1 3 Lothar Gremer L. . . . 25964 1 4 Gunnar Schroder G. F. . . 25964 1 5 Matthias Stoldt M. . . . 25964 1 6 Dieter Willbold D. . . . 25964 1 7 Wolfgang Hoyer W. . . . 25964 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25964 _Assembly.ID 1 _Assembly.Name 'Structure of human islet amyloid polypeptide in complex with an engineered binding protein' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 16970.7848 _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 'ISLET AMYLOID POLYPEPTIDE' 1 $ISLET_AMYLOID_POLYPEPTIDE A . yes native no no . . . 25964 1 2 'HI18, 1' 2 $HI18 D . yes native no no . . . 25964 1 3 'HI18, 2' 2 $HI18 E . yes native no no . . . 25964 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ISLET_AMYLOID_POLYPEPTIDE _Entity.Sf_category entity _Entity.Sf_framecode ISLET_AMYLOID_POLYPEPTIDE _Entity.Entry_ID 25964 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ISLET_AMYLOID_POLYPEPTIDE _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KCNTATCATQRLANFLVHSS NNFGAILSSTNVGSNTY ; _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 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'PROCESSED POLYPEPTIDE, UNP RESIDUES 34-70' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3908.322 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP IAPP_HUMAN . P10997 . . . 'Sequence corresponds to processed islet amyloid polypeptide (residues 34-70 of Uniprot entry)' . . . . . . . . . . 25964 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 . LYS . 25964 1 2 . CYS . 25964 1 3 . ASN . 25964 1 4 . THR . 25964 1 5 . ALA . 25964 1 6 . THR . 25964 1 7 . CYS . 25964 1 8 . ALA . 25964 1 9 . THR . 25964 1 10 . GLN . 25964 1 11 . ARG . 25964 1 12 . LEU . 25964 1 13 . ALA . 25964 1 14 . ASN . 25964 1 15 . PHE . 25964 1 16 . LEU . 25964 1 17 . VAL . 25964 1 18 . HIS . 25964 1 19 . SER . 25964 1 20 . SER . 25964 1 21 . ASN . 25964 1 22 . ASN . 25964 1 23 . PHE . 25964 1 24 . GLY . 25964 1 25 . ALA . 25964 1 26 . ILE . 25964 1 27 . LEU . 25964 1 28 . SER . 25964 1 29 . SER . 25964 1 30 . THR . 25964 1 31 . ASN . 25964 1 32 . VAL . 25964 1 33 . GLY . 25964 1 34 . SER . 25964 1 35 . ASN . 25964 1 36 . THR . 25964 1 37 . TYR . 25964 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 . LYS 1 1 25964 1 . CYS 2 2 25964 1 . ASN 3 3 25964 1 . THR 4 4 25964 1 . ALA 5 5 25964 1 . THR 6 6 25964 1 . CYS 7 7 25964 1 . ALA 8 8 25964 1 . THR 9 9 25964 1 . GLN 10 10 25964 1 . ARG 11 11 25964 1 . LEU 12 12 25964 1 . ALA 13 13 25964 1 . ASN 14 14 25964 1 . PHE 15 15 25964 1 . LEU 16 16 25964 1 . VAL 17 17 25964 1 . HIS 18 18 25964 1 . SER 19 19 25964 1 . SER 20 20 25964 1 . ASN 21 21 25964 1 . ASN 22 22 25964 1 . PHE 23 23 25964 1 . GLY 24 24 25964 1 . ALA 25 25 25964 1 . ILE 26 26 25964 1 . LEU 27 27 25964 1 . SER 28 28 25964 1 . SER 29 29 25964 1 . THR 30 30 25964 1 . ASN 31 31 25964 1 . VAL 32 32 25964 1 . GLY 33 33 25964 1 . SER 34 34 25964 1 . ASN 35 35 25964 1 . THR 36 36 25964 1 . TYR 37 37 25964 1 stop_ save_ save_HI18 _Entity.Sf_category entity _Entity.Sf_framecode HI18 _Entity.Entry_ID 25964 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name HI18 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID D,E _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VDNKFNKEMESAGGEIVYLP NLNPDQLCAFIHSIHDDPSQ SANLLAEAKKLNDAQAPKW ; _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 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6531.2314 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes PDB 5FSF . 5FSF . . . . . . . . . . . . . . 25964 2 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 . VAL . 25964 2 2 . ASP . 25964 2 3 . ASN . 25964 2 4 . LYS . 25964 2 5 . PHE . 25964 2 6 . ASN . 25964 2 7 . LYS . 25964 2 8 . GLU . 25964 2 9 . MET . 25964 2 10 . GLU . 25964 2 11 . SER . 25964 2 12 . ALA . 25964 2 13 . GLY . 25964 2 14 . GLY . 25964 2 15 . GLU . 25964 2 16 . ILE . 25964 2 17 . VAL . 25964 2 18 . TYR . 25964 2 19 . LEU . 25964 2 20 . PRO . 25964 2 21 . ASN . 25964 2 22 . LEU . 25964 2 23 . ASN . 25964 2 24 . PRO . 25964 2 25 . ASP . 25964 2 26 . GLN . 25964 2 27 . LEU . 25964 2 28 . CYS . 25964 2 29 . ALA . 25964 2 30 . PHE . 25964 2 31 . ILE . 25964 2 32 . HIS . 25964 2 33 . SER . 25964 2 34 . ILE . 25964 2 35 . HIS . 25964 2 36 . ASP . 25964 2 37 . ASP . 25964 2 38 . PRO . 25964 2 39 . SER . 25964 2 40 . GLN . 25964 2 41 . SER . 25964 2 42 . ALA . 25964 2 43 . ASN . 25964 2 44 . LEU . 25964 2 45 . LEU . 25964 2 46 . ALA . 25964 2 47 . GLU . 25964 2 48 . ALA . 25964 2 49 . LYS . 25964 2 50 . LYS . 25964 2 51 . LEU . 25964 2 52 . ASN . 25964 2 53 . ASP . 25964 2 54 . ALA . 25964 2 55 . GLN . 25964 2 56 . ALA . 25964 2 57 . PRO . 25964 2 58 . LYS . 25964 2 59 . TRP . 25964 2 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 . VAL 1 1 25964 2 . ASP 2 2 25964 2 . ASN 3 3 25964 2 . LYS 4 4 25964 2 . PHE 5 5 25964 2 . ASN 6 6 25964 2 . LYS 7 7 25964 2 . GLU 8 8 25964 2 . MET 9 9 25964 2 . GLU 10 10 25964 2 . SER 11 11 25964 2 . ALA 12 12 25964 2 . GLY 13 13 25964 2 . GLY 14 14 25964 2 . GLU 15 15 25964 2 . ILE 16 16 25964 2 . VAL 17 17 25964 2 . TYR 18 18 25964 2 . LEU 19 19 25964 2 . PRO 20 20 25964 2 . ASN 21 21 25964 2 . LEU 22 22 25964 2 . ASN 23 23 25964 2 . PRO 24 24 25964 2 . ASP 25 25 25964 2 . GLN 26 26 25964 2 . LEU 27 27 25964 2 . CYS 28 28 25964 2 . ALA 29 29 25964 2 . PHE 30 30 25964 2 . ILE 31 31 25964 2 . HIS 32 32 25964 2 . SER 33 33 25964 2 . ILE 34 34 25964 2 . HIS 35 35 25964 2 . ASP 36 36 25964 2 . ASP 37 37 25964 2 . PRO 38 38 25964 2 . SER 39 39 25964 2 . GLN 40 40 25964 2 . SER 41 41 25964 2 . ALA 42 42 25964 2 . ASN 43 43 25964 2 . LEU 44 44 25964 2 . LEU 45 45 25964 2 . ALA 46 46 25964 2 . GLU 47 47 25964 2 . ALA 48 48 25964 2 . LYS 49 49 25964 2 . LYS 50 50 25964 2 . LEU 51 51 25964 2 . ASN 52 52 25964 2 . ASP 53 53 25964 2 . ALA 54 54 25964 2 . GLN 55 55 25964 2 . ALA 56 56 25964 2 . PRO 57 57 25964 2 . LYS 58 58 25964 2 . TRP 59 59 25964 2 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 25964 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ISLET_AMYLOID_POLYPEPTIDE . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25964 1 2 2 $HI18 . . organism . 'synthetic construct' unknown . . . . . . . . . . . . . . . . . . . 25964 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 25964 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ISLET_AMYLOID_POLYPEPTIDE . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) DE3 . . . . pET302 . . . 25964 1 2 2 $HI18 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) DE3 . . . . pET302 . . . 25964 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25964 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mmol/l' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% water/7% 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 'ISLET AMYLOID POLYPEPTIDE' '[U-13C; U-15N]' . . 1 $ISLET_AMYLOID_POLYPEPTIDE . . 0.40 . . mM . . . . 25964 1 2 HI18 'natural abundance' . . 2 $HI18 . . 0.96 . . mM . . . . 25964 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25964 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25964 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mmol/l' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% water/7% 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 'ISLET AMYLOID POLYPEPTIDE' 'natural abundance' . . 1 $ISLET_AMYLOID_POLYPEPTIDE . . 0.48 . . mM . . . . 25964 2 2 HI18 '[U-13C; U-15N]' . . 2 $HI18 . . 0.80 . . mM . . . . 25964 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25964 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25964 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.0], temp [298], pressure [1], ionStrength [20.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20.000 . mM 25964 1 pH 6.000 . pH 25964 1 pressure 1.000 . atm 25964 1 temperature 298.000 . K 25964 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25964 _Software.ID 1 _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25964 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25964 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25964 _Software.ID 2 _Software.Name NMRPipe _Software.Version v7.9.2013.021.23.09 _Software.Details 'conversion, processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . spin.niddk.nih.gov/NMRPipe 25964 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25964 2 stop_ save_ save_TALOS-N _Software.Sf_category software _Software.Sf_framecode TALOS-N _Software.Entry_ID 25964 _Software.ID 3 _Software.Name TALOS-N _Software.Version 4.12 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 25964 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25964 3 stop_ save_ save_VnmrJ _Software.Sf_category software _Software.Sf_framecode VnmrJ _Software.Entry_ID 25964 _Software.ID 4 _Software.Name VnmrJ _Software.Version v3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25964 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25964 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Agilent_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Agilent_800 _NMR_spectrometer.Entry_ID 25964 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_Agilent_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Agilent_900 _NMR_spectrometer.Entry_ID 25964 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25964 _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 Agilent_800 Varian VNMRS . 800 . . . 25964 1 2 Agilent_900 Varian VNMRS . 900 . . . 25964 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 25964 _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 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Agilent_800 . . . . . . . . . . . . . . . . 25964 1 2 HNCA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Agilent_800 . . . . . . . . . . . . . . . . 25964 1 3 HNHA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Agilent_800 . . . . . . . . . . . . . . . . 25964 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Agilent_800 . . . . . . . . . . . . . . . . 25964 1 5 '1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Agilent_800 . . . . . . . . . . . . . . . . 25964 1 6 HNCO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Agilent_800 . . . . . . . . . . . . . . . . 25964 1 7 'HCCH COSY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Agilent_800 . . . . . . . . . . . . . . . . 25964 1 8 '1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Agilent_800 . . . . . . . . . . . . . . . . 25964 1 9 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 2 $Agilent_900 . . . . . . . . . . . . . . . . 25964 1 10 HNCA no . . . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 2 $Agilent_900 . . . . . . . . . . . . . . . . 25964 1 11 HNHA no . . . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 2 $Agilent_900 . . . . . . . . . . . . . . . . 25964 1 12 HNCACB no . . . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 2 $Agilent_900 . . . . . . . . . . . . . . . . 25964 1 13 '1H-15N NOESY' no . . . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 2 $Agilent_900 . . . . . . . . . . . . . . . . 25964 1 14 'HCCH COSY' no . . . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 2 $Agilent_900 . . . . . . . . . . . . . . . . 25964 1 15 '1H-13C NOESY' no . . . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 2 $Agilent_900 . . . . . . . . . . . . . . . . 25964 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 25964 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 HDO protons . . . . ppm 4.779 internal indirect 0.251 . . . . . 25964 1 H 1 HDO protons . . . . ppm 4.779 internal direct 1 . . . . . 25964 1 N 15 HDO protons . . . . ppm 4.779 internal indirect 0.101 . . . . . 25964 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 25964 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5fsf/ebi/bmrb_iapp_hi18_151217_1_2.str.csh' _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 '1H-15N HSQC' 1 $sample_1 solution 25964 1 2 HNCA 1 $sample_1 solution 25964 1 3 HNHA 1 $sample_1 solution 25964 1 4 HNCACB 1 $sample_1 solution 25964 1 5 '1H-15N NOESY' 1 $sample_1 solution 25964 1 6 HNCO 1 $sample_1 solution 25964 1 7 'HCCH COSY' 1 $sample_1 solution 25964 1 8 '1H-13C NOESY' 1 $sample_1 solution 25964 1 9 '1H-15N HSQC' 1 $sample_2 solution 25964 1 10 HNCA 1 $sample_2 solution 25964 1 11 HNHA 1 $sample_2 solution 25964 1 12 HNCACB 1 $sample_2 solution 25964 1 13 '1H-15N NOESY' 1 $sample_2 solution 25964 1 14 'HCCH COSY' 1 $sample_2 solution 25964 1 15 '1H-13C NOESY' 1 $sample_2 solution 25964 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25964 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 2 2 CYS HA H 1 4.709 0.002 . 1 . . . . 2 CYS HA . 25964 1 2 . 1 1 2 2 CYS HB2 H 1 3.170 0.05 . 2 . . . . 2 CYS HB2 . 25964 1 3 . 1 1 2 2 CYS HB3 H 1 3.227 0.05 . 2 . . . . 2 CYS HB3 . 25964 1 4 . 1 1 2 2 CYS C C 13 174.129 0.05 . 1 . . . . 2 CYS C . 25964 1 5 . 1 1 2 2 CYS CA C 13 55.969 0.039 . 1 . . . . 2 CYS CA . 25964 1 6 . 1 1 2 2 CYS CB C 13 41.520 0.002 . 1 . . . . 2 CYS CB . 25964 1 7 . 1 1 3 3 ASN H H 1 8.880 0.002 . 1 . . . . 3 ASN H . 25964 1 8 . 1 1 3 3 ASN HA H 1 4.934 0.003 . 1 . . . . 3 ASN HA . 25964 1 9 . 1 1 3 3 ASN HB2 H 1 2.865 0.05 . 1 . . . . 3 ASN HB2 . 25964 1 10 . 1 1 3 3 ASN C C 13 174.942 0.05 . 1 . . . . 3 ASN C . 25964 1 11 . 1 1 3 3 ASN CA C 13 53.115 0.066 . 1 . . . . 3 ASN CA . 25964 1 12 . 1 1 3 3 ASN CB C 13 39.537 0.05 . 1 . . . . 3 ASN CB . 25964 1 13 . 1 1 3 3 ASN N N 15 123.794 0.02 . 1 . . . . 3 ASN N . 25964 1 14 . 1 1 4 4 THR H H 1 7.639 0.006 . 1 . . . . 4 THR H . 25964 1 15 . 1 1 4 4 THR HA H 1 4.516 0.004 . 1 . . . . 4 THR HA . 25964 1 16 . 1 1 4 4 THR HB H 1 4.492 0.001 . 1 . . . . 4 THR HB . 25964 1 17 . 1 1 4 4 THR HG21 H 1 1.242 0.002 . 1 . . . . 4 THR HG21 . 25964 1 18 . 1 1 4 4 THR HG22 H 1 1.242 0.002 . 1 . . . . 4 THR HG22 . 25964 1 19 . 1 1 4 4 THR HG23 H 1 1.242 0.002 . 1 . . . . 4 THR HG23 . 25964 1 20 . 1 1 4 4 THR C C 13 174.640 0.05 . 1 . . . . 4 THR C . 25964 1 21 . 1 1 4 4 THR CA C 13 61.022 0.008 . 1 . . . . 4 THR CA . 25964 1 22 . 1 1 4 4 THR CB C 13 70.811 0.002 . 1 . . . . 4 THR CB . 25964 1 23 . 1 1 4 4 THR N N 15 110.990 0.056 . 1 . . . . 4 THR N . 25964 1 24 . 1 1 5 5 ALA H H 1 8.569 0.004 . 1 . . . . 5 ALA H . 25964 1 25 . 1 1 5 5 ALA HA H 1 4.170 0.006 . 1 . . . . 5 ALA HA . 25964 1 26 . 1 1 5 5 ALA HB1 H 1 1.462 0.005 . 1 . . . . 5 ALA HB1 . 25964 1 27 . 1 1 5 5 ALA HB2 H 1 1.462 0.005 . 1 . . . . 5 ALA HB2 . 25964 1 28 . 1 1 5 5 ALA HB3 H 1 1.462 0.005 . 1 . . . . 5 ALA HB3 . 25964 1 29 . 1 1 5 5 ALA C C 13 179.253 0.05 . 1 . . . . 5 ALA C . 25964 1 30 . 1 1 5 5 ALA CA C 13 54.665 0.077 . 1 . . . . 5 ALA CA . 25964 1 31 . 1 1 5 5 ALA CB C 13 18.760 0.05 . 1 . . . . 5 ALA CB . 25964 1 32 . 1 1 5 5 ALA N N 15 122.436 0.023 . 1 . . . . 5 ALA N . 25964 1 33 . 1 1 6 6 THR H H 1 7.835 0.003 . 1 . . . . 6 THR H . 25964 1 34 . 1 1 6 6 THR HA H 1 4.315 0.004 . 1 . . . . 6 THR HA . 25964 1 35 . 1 1 6 6 THR HB H 1 4.227 0.001 . 1 . . . . 6 THR HB . 25964 1 36 . 1 1 6 6 THR HG21 H 1 1.179 0.004 . 1 . . . . 6 THR HG21 . 25964 1 37 . 1 1 6 6 THR HG22 H 1 1.179 0.004 . 1 . . . . 6 THR HG22 . 25964 1 38 . 1 1 6 6 THR HG23 H 1 1.179 0.004 . 1 . . . . 6 THR HG23 . 25964 1 39 . 1 1 6 6 THR C C 13 174.926 0.05 . 1 . . . . 6 THR C . 25964 1 40 . 1 1 6 6 THR CA C 13 62.135 0.019 . 1 . . . . 6 THR CA . 25964 1 41 . 1 1 6 6 THR CB C 13 69.462 0.002 . 1 . . . . 6 THR CB . 25964 1 42 . 1 1 6 6 THR N N 15 108.349 0.054 . 1 . . . . 6 THR N . 25964 1 43 . 1 1 7 7 CYS H H 1 8.081 0.003 . 1 . . . . 7 CYS H . 25964 1 44 . 1 1 7 7 CYS HA H 1 4.628 0.009 . 1 . . . . 7 CYS HA . 25964 1 45 . 1 1 7 7 CYS HB2 H 1 3.235 0.004 . 2 . . . . 7 CYS HB2 . 25964 1 46 . 1 1 7 7 CYS HB3 H 1 3.109 0.002 . 2 . . . . 7 CYS HB3 . 25964 1 47 . 1 1 7 7 CYS C C 13 174.476 0.05 . 1 . . . . 7 CYS C . 25964 1 48 . 1 1 7 7 CYS CA C 13 55.928 0.016 . 1 . . . . 7 CYS CA . 25964 1 49 . 1 1 7 7 CYS CB C 13 41.479 0.002 . 1 . . . . 7 CYS CB . 25964 1 50 . 1 1 7 7 CYS N N 15 120.255 0.039 . 1 . . . . 7 CYS N . 25964 1 51 . 1 1 8 8 ALA H H 1 8.146 0.003 . 1 . . . . 8 ALA H . 25964 1 52 . 1 1 8 8 ALA HA H 1 4.345 0.006 . 1 . . . . 8 ALA HA . 25964 1 53 . 1 1 8 8 ALA HB1 H 1 1.410 0.002 . 1 . . . . 8 ALA HB1 . 25964 1 54 . 1 1 8 8 ALA HB2 H 1 1.410 0.002 . 1 . . . . 8 ALA HB2 . 25964 1 55 . 1 1 8 8 ALA HB3 H 1 1.410 0.002 . 1 . . . . 8 ALA HB3 . 25964 1 56 . 1 1 8 8 ALA C C 13 177.769 0.05 . 1 . . . . 8 ALA C . 25964 1 57 . 1 1 8 8 ALA CA C 13 52.986 0.026 . 1 . . . . 8 ALA CA . 25964 1 58 . 1 1 8 8 ALA CB C 13 19.209 0.05 . 1 . . . . 8 ALA CB . 25964 1 59 . 1 1 8 8 ALA N N 15 124.453 0.054 . 1 . . . . 8 ALA N . 25964 1 60 . 1 1 9 9 THR H H 1 8.023 0.002 . 1 . . . . 9 THR H . 25964 1 61 . 1 1 9 9 THR HA H 1 4.347 0.016 . 1 . . . . 9 THR HA . 25964 1 62 . 1 1 9 9 THR HB H 1 4.215 0.009 . 1 . . . . 9 THR HB . 25964 1 63 . 1 1 9 9 THR HG21 H 1 1.182 0.001 . 1 . . . . 9 THR HG21 . 25964 1 64 . 1 1 9 9 THR HG22 H 1 1.182 0.001 . 1 . . . . 9 THR HG22 . 25964 1 65 . 1 1 9 9 THR HG23 H 1 1.182 0.001 . 1 . . . . 9 THR HG23 . 25964 1 66 . 1 1 9 9 THR C C 13 174.368 0.05 . 1 . . . . 9 THR C . 25964 1 67 . 1 1 9 9 THR CA C 13 61.814 0.034 . 1 . . . . 9 THR CA . 25964 1 68 . 1 1 9 9 THR CB C 13 69.691 0.002 . 1 . . . . 9 THR CB . 25964 1 69 . 1 1 9 9 THR N N 15 112.557 0.062 . 1 . . . . 9 THR N . 25964 1 70 . 1 1 10 10 GLN H H 1 8.227 0.004 . 1 . . . . 10 GLN H . 25964 1 71 . 1 1 10 10 GLN HA H 1 4.395 0.017 . 1 . . . . 10 GLN HA . 25964 1 72 . 1 1 10 10 GLN HB2 H 1 2.055 0.001 . 2 . . . . 10 GLN HB2 . 25964 1 73 . 1 1 10 10 GLN HB3 H 1 1.972 0.02 . 2 . . . . 10 GLN HB3 . 25964 1 74 . 1 1 10 10 GLN HG2 H 1 2.318 0.002 . 1 . . . . 10 GLN HG2 . 25964 1 75 . 1 1 10 10 GLN C C 13 175.216 0.05 . 1 . . . . 10 GLN C . 25964 1 76 . 1 1 10 10 GLN CA C 13 55.636 0.039 . 1 . . . . 10 GLN CA . 25964 1 77 . 1 1 10 10 GLN CB C 13 29.981 0.001 . 1 . . . . 10 GLN CB . 25964 1 78 . 1 1 10 10 GLN N N 15 122.711 0.029 . 1 . . . . 10 GLN N . 25964 1 79 . 1 1 11 11 ARG H H 1 8.319 0.004 . 1 . . . . 11 ARG H . 25964 1 80 . 1 1 11 11 ARG HA H 1 4.518 0.001 . 1 . . . . 11 ARG HA . 25964 1 81 . 1 1 11 11 ARG HB2 H 1 1.689 0.006 . 1 . . . . 11 ARG HB2 . 25964 1 82 . 1 1 11 11 ARG HG2 H 1 1.518 0.001 . 2 . . . . 11 ARG HG2 . 25964 1 83 . 1 1 11 11 ARG HG3 H 1 1.637 0.001 . 2 . . . . 11 ARG HG3 . 25964 1 84 . 1 1 11 11 ARG C C 13 174.945 0.05 . 1 . . . . 11 ARG C . 25964 1 85 . 1 1 11 11 ARG CA C 13 55.512 0.039 . 1 . . . . 11 ARG CA . 25964 1 86 . 1 1 11 11 ARG CB C 13 31.790 0.001 . 1 . . . . 11 ARG CB . 25964 1 87 . 1 1 11 11 ARG N N 15 121.930 0.046 . 1 . . . . 11 ARG N . 25964 1 88 . 1 1 12 12 LEU H H 1 8.382 0.005 . 1 . . . . 12 LEU H . 25964 1 89 . 1 1 12 12 LEU HA H 1 4.533 0.006 . 1 . . . . 12 LEU HA . 25964 1 90 . 1 1 12 12 LEU CA C 13 54.228 0.092 . 1 . . . . 12 LEU CA . 25964 1 91 . 1 1 12 12 LEU CB C 13 44.054 0.05 . 1 . . . . 12 LEU CB . 25964 1 92 . 1 1 12 12 LEU N N 15 123.187 0.061 . 1 . . . . 12 LEU N . 25964 1 93 . 1 1 13 13 ALA H H 1 8.053 0.002 . 1 . . . . 13 ALA H . 25964 1 94 . 1 1 13 13 ALA HA H 1 4.896 0.008 . 1 . . . . 13 ALA HA . 25964 1 95 . 1 1 13 13 ALA HB1 H 1 1.046 0.004 . 1 . . . . 13 ALA HB1 . 25964 1 96 . 1 1 13 13 ALA HB2 H 1 1.046 0.004 . 1 . . . . 13 ALA HB2 . 25964 1 97 . 1 1 13 13 ALA HB3 H 1 1.046 0.004 . 1 . . . . 13 ALA HB3 . 25964 1 98 . 1 1 13 13 ALA CA C 13 50.977 0.029 . 1 . . . . 13 ALA CA . 25964 1 99 . 1 1 13 13 ALA CB C 13 20.005 0.046 . 1 . . . . 13 ALA CB . 25964 1 100 . 1 1 14 14 ASN H H 1 8.472 0.01 . 1 . . . . 14 ASN H . 25964 1 101 . 1 1 14 14 ASN HA H 1 4.813 0.001 . 1 . . . . 14 ASN HA . 25964 1 102 . 1 1 14 14 ASN HB2 H 1 2.589 0.007 . 1 . . . . 14 ASN HB2 . 25964 1 103 . 1 1 14 14 ASN C C 13 173.534 0.05 . 1 . . . . 14 ASN C . 25964 1 104 . 1 1 14 14 ASN CA C 13 51.951 0.066 . 1 . . . . 14 ASN CA . 25964 1 105 . 1 1 14 14 ASN CB C 13 41.338 0.05 . 1 . . . . 14 ASN CB . 25964 1 106 . 1 1 14 14 ASN N N 15 118.928 0.021 . 1 . . . . 14 ASN N . 25964 1 107 . 1 1 15 15 PHE H H 1 8.843 0.006 . 1 . . . . 15 PHE H . 25964 1 108 . 1 1 15 15 PHE HA H 1 5.090 0.007 . 1 . . . . 15 PHE HA . 25964 1 109 . 1 1 15 15 PHE C C 13 173.825 0.05 . 1 . . . . 15 PHE C . 25964 1 110 . 1 1 15 15 PHE CA C 13 57.900 0.022 . 1 . . . . 15 PHE CA . 25964 1 111 . 1 1 15 15 PHE CB C 13 41.556 0.05 . 1 . . . . 15 PHE CB . 25964 1 112 . 1 1 15 15 PHE N N 15 121.077 0.047 . 1 . . . . 15 PHE N . 25964 1 113 . 1 1 16 16 LEU H H 1 8.343 0.005 . 1 . . . . 16 LEU H . 25964 1 114 . 1 1 16 16 LEU HA H 1 5.168 0.05 . 1 . . . . 16 LEU HA . 25964 1 115 . 1 1 16 16 LEU HB2 H 1 0.970 0.008 . 2 . . . . 16 LEU HB2 . 25964 1 116 . 1 1 16 16 LEU HB3 H 1 1.398 0.007 . 2 . . . . 16 LEU HB3 . 25964 1 117 . 1 1 16 16 LEU HG H 1 1.203 0.004 . 1 . . . . 16 LEU HG . 25964 1 118 . 1 1 16 16 LEU HD11 H 1 0.504 0.004 . 2 . . . . 16 LEU HD11 . 25964 1 119 . 1 1 16 16 LEU HD12 H 1 0.504 0.004 . 2 . . . . 16 LEU HD12 . 25964 1 120 . 1 1 16 16 LEU HD13 H 1 0.504 0.004 . 2 . . . . 16 LEU HD13 . 25964 1 121 . 1 1 16 16 LEU HD21 H 1 0.492 0.014 . 2 . . . . 16 LEU HD21 . 25964 1 122 . 1 1 16 16 LEU HD22 H 1 0.492 0.014 . 2 . . . . 16 LEU HD22 . 25964 1 123 . 1 1 16 16 LEU HD23 H 1 0.492 0.014 . 2 . . . . 16 LEU HD23 . 25964 1 124 . 1 1 16 16 LEU C C 13 173.404 0.05 . 1 . . . . 16 LEU C . 25964 1 125 . 1 1 16 16 LEU CA C 13 53.488 0.03 . 1 . . . . 16 LEU CA . 25964 1 126 . 1 1 16 16 LEU CB C 13 44.557 0.066 . 1 . . . . 16 LEU CB . 25964 1 127 . 1 1 16 16 LEU CG C 13 25.369 0.042 . 1 . . . . 16 LEU CG . 25964 1 128 . 1 1 16 16 LEU CD1 C 13 27.759 0.03 . 2 . . . . 16 LEU CD1 . 25964 1 129 . 1 1 16 16 LEU CD2 C 13 24.309 0.045 . 2 . . . . 16 LEU CD2 . 25964 1 130 . 1 1 16 16 LEU N N 15 119.612 0.044 . 1 . . . . 16 LEU N . 25964 1 131 . 1 1 17 17 VAL H H 1 8.581 0.005 . 1 . . . . 17 VAL H . 25964 1 132 . 1 1 17 17 VAL HA H 1 4.585 0.018 . 1 . . . . 17 VAL HA . 25964 1 133 . 1 1 17 17 VAL HB H 1 1.783 0.007 . 1 . . . . 17 VAL HB . 25964 1 134 . 1 1 17 17 VAL HG11 H 1 0.781 0.007 . 2 . . . . 17 VAL HG11 . 25964 1 135 . 1 1 17 17 VAL HG12 H 1 0.781 0.007 . 2 . . . . 17 VAL HG12 . 25964 1 136 . 1 1 17 17 VAL HG13 H 1 0.781 0.007 . 2 . . . . 17 VAL HG13 . 25964 1 137 . 1 1 17 17 VAL HG21 H 1 0.859 0.01 . 2 . . . . 17 VAL HG21 . 25964 1 138 . 1 1 17 17 VAL HG22 H 1 0.859 0.01 . 2 . . . . 17 VAL HG22 . 25964 1 139 . 1 1 17 17 VAL HG23 H 1 0.859 0.01 . 2 . . . . 17 VAL HG23 . 25964 1 140 . 1 1 17 17 VAL C C 13 173.816 0.05 . 1 . . . . 17 VAL C . 25964 1 141 . 1 1 17 17 VAL CA C 13 60.234 0.054 . 1 . . . . 17 VAL CA . 25964 1 142 . 1 1 17 17 VAL CB C 13 35.181 0.072 . 1 . . . . 17 VAL CB . 25964 1 143 . 1 1 17 17 VAL CG1 C 13 21.476 0.013 . 2 . . . . 17 VAL CG1 . 25964 1 144 . 1 1 17 17 VAL CG2 C 13 21.191 0.01 . 2 . . . . 17 VAL CG2 . 25964 1 145 . 1 1 17 17 VAL N N 15 116.731 0.074 . 1 . . . . 17 VAL N . 25964 1 146 . 1 1 18 18 HIS H H 1 8.920 0.005 . 1 . . . . 18 HIS H . 25964 1 147 . 1 1 18 18 HIS HA H 1 5.192 0.007 . 1 . . . . 18 HIS HA . 25964 1 148 . 1 1 18 18 HIS HD2 H 1 6.878 0.05 . 1 . . . . 18 HIS HD2 . 25964 1 149 . 1 1 18 18 HIS C C 13 176.232 0.05 . 1 . . . . 18 HIS C . 25964 1 150 . 1 1 18 18 HIS CA C 13 55.050 0.013 . 1 . . . . 18 HIS CA . 25964 1 151 . 1 1 18 18 HIS CB C 13 29.626 0.05 . 1 . . . . 18 HIS CB . 25964 1 152 . 1 1 18 18 HIS N N 15 128.309 0.066 . 1 . . . . 18 HIS N . 25964 1 153 . 1 1 19 19 SER H H 1 8.361 0.006 . 1 . . . . 19 SER H . 25964 1 154 . 1 1 19 19 SER CA C 13 60.284 0.075 . 1 . . . . 19 SER CA . 25964 1 155 . 1 1 19 19 SER N N 15 122.007 0.021 . 1 . . . . 19 SER N . 25964 1 156 . 1 1 20 20 SER C C 13 174.715 0.05 . 1 . . . . 20 SER C . 25964 1 157 . 1 1 21 21 ASN H H 1 8.254 0.01 . 1 . . . . 21 ASN H . 25964 1 158 . 1 1 21 21 ASN C C 13 173.629 0.05 . 1 . . . . 21 ASN C . 25964 1 159 . 1 1 21 21 ASN CA C 13 53.115 0.005 . 1 . . . . 21 ASN CA . 25964 1 160 . 1 1 21 21 ASN CB C 13 38.633 0.05 . 1 . . . . 21 ASN CB . 25964 1 161 . 1 1 21 21 ASN N N 15 118.657 0.066 . 1 . . . . 21 ASN N . 25964 1 162 . 1 1 22 22 ASN H H 1 7.650 0.003 . 1 . . . . 22 ASN H . 25964 1 163 . 1 1 22 22 ASN C C 13 173.705 0.05 . 1 . . . . 22 ASN C . 25964 1 164 . 1 1 22 22 ASN CA C 13 53.065 0.071 . 1 . . . . 22 ASN CA . 25964 1 165 . 1 1 22 22 ASN CB C 13 39.489 0.05 . 1 . . . . 22 ASN CB . 25964 1 166 . 1 1 22 22 ASN N N 15 116.776 0.046 . 1 . . . . 22 ASN N . 25964 1 167 . 1 1 23 23 PHE H H 1 8.805 0.006 . 1 . . . . 23 PHE H . 25964 1 168 . 1 1 23 23 PHE HA H 1 5.102 0.004 . 1 . . . . 23 PHE HA . 25964 1 169 . 1 1 23 23 PHE HB2 H 1 3.091 0.006 . 1 . . . . 23 PHE HB2 . 25964 1 170 . 1 1 23 23 PHE C C 13 175.312 0.05 . 1 . . . . 23 PHE C . 25964 1 171 . 1 1 23 23 PHE CA C 13 58.038 0.04 . 1 . . . . 23 PHE CA . 25964 1 172 . 1 1 23 23 PHE N N 15 123.741 0.106 . 1 . . . . 23 PHE N . 25964 1 173 . 1 1 24 24 GLY H H 1 8.430 0.005 . 1 . . . . 24 GLY H . 25964 1 174 . 1 1 24 24 GLY HA2 H 1 4.466 0.012 . 2 . . . . 24 GLY HA2 . 25964 1 175 . 1 1 24 24 GLY HA3 H 1 3.453 0.006 . 2 . . . . 24 GLY HA3 . 25964 1 176 . 1 1 24 24 GLY C C 13 169.704 0.05 . 1 . . . . 24 GLY C . 25964 1 177 . 1 1 24 24 GLY CA C 13 45.561 0.036 . 1 . . . . 24 GLY CA . 25964 1 178 . 1 1 24 24 GLY N N 15 111.100 0.065 . 1 . . . . 24 GLY N . 25964 1 179 . 1 1 25 25 ALA H H 1 8.492 0.006 . 1 . . . . 25 ALA H . 25964 1 180 . 1 1 25 25 ALA HA H 1 5.179 0.009 . 1 . . . . 25 ALA HA . 25964 1 181 . 1 1 25 25 ALA HB1 H 1 1.124 0.007 . 1 . . . . 25 ALA HB1 . 25964 1 182 . 1 1 25 25 ALA HB2 H 1 1.124 0.007 . 1 . . . . 25 ALA HB2 . 25964 1 183 . 1 1 25 25 ALA HB3 H 1 1.124 0.007 . 1 . . . . 25 ALA HB3 . 25964 1 184 . 1 1 25 25 ALA C C 13 174.375 0.05 . 1 . . . . 25 ALA C . 25964 1 185 . 1 1 25 25 ALA CA C 13 50.060 0.031 . 1 . . . . 25 ALA CA . 25964 1 186 . 1 1 25 25 ALA CB C 13 23.248 0.067 . 1 . . . . 25 ALA CB . 25964 1 187 . 1 1 25 25 ALA N N 15 119.110 0.061 . 1 . . . . 25 ALA N . 25964 1 188 . 1 1 26 26 ILE H H 1 8.487 0.005 . 1 . . . . 26 ILE H . 25964 1 189 . 1 1 26 26 ILE HA H 1 4.710 0.003 . 1 . . . . 26 ILE HA . 25964 1 190 . 1 1 26 26 ILE HB H 1 1.452 0.006 . 1 . . . . 26 ILE HB . 25964 1 191 . 1 1 26 26 ILE HG12 H 1 1.286 0.004 . 2 . . . . 26 ILE HG12 . 25964 1 192 . 1 1 26 26 ILE HG13 H 1 0.827 0.004 . 2 . . . . 26 ILE HG13 . 25964 1 193 . 1 1 26 26 ILE HG21 H 1 0.831 0.004 . 1 . . . . 26 ILE HG21 . 25964 1 194 . 1 1 26 26 ILE HG22 H 1 0.831 0.004 . 1 . . . . 26 ILE HG22 . 25964 1 195 . 1 1 26 26 ILE HG23 H 1 0.831 0.004 . 1 . . . . 26 ILE HG23 . 25964 1 196 . 1 1 26 26 ILE HD11 H 1 0.690 0.003 . 1 . . . . 26 ILE HD11 . 25964 1 197 . 1 1 26 26 ILE HD12 H 1 0.690 0.003 . 1 . . . . 26 ILE HD12 . 25964 1 198 . 1 1 26 26 ILE HD13 H 1 0.690 0.003 . 1 . . . . 26 ILE HD13 . 25964 1 199 . 1 1 26 26 ILE C C 13 174.300 0.05 . 1 . . . . 26 ILE C . 25964 1 200 . 1 1 26 26 ILE CA C 13 58.741 0.047 . 1 . . . . 26 ILE CA . 25964 1 201 . 1 1 26 26 ILE CB C 13 41.822 0.055 . 1 . . . . 26 ILE CB . 25964 1 202 . 1 1 26 26 ILE CG1 C 13 28.328 0.036 . 1 . . . . 26 ILE CG1 . 25964 1 203 . 1 1 26 26 ILE CG2 C 13 16.270 0.024 . 1 . . . . 26 ILE CG2 . 25964 1 204 . 1 1 26 26 ILE CD1 C 13 14.305 0.036 . 1 . . . . 26 ILE CD1 . 25964 1 205 . 1 1 26 26 ILE N N 15 117.222 0.05 . 1 . . . . 26 ILE N . 25964 1 206 . 1 1 27 27 LEU H H 1 8.723 0.006 . 1 . . . . 27 LEU H . 25964 1 207 . 1 1 27 27 LEU HA H 1 4.905 0.006 . 1 . . . . 27 LEU HA . 25964 1 208 . 1 1 27 27 LEU HB2 H 1 1.541 0.007 . 2 . . . . 27 LEU HB2 . 25964 1 209 . 1 1 27 27 LEU HB3 H 1 1.423 0.01 . 2 . . . . 27 LEU HB3 . 25964 1 210 . 1 1 27 27 LEU HG H 1 1.505 0.007 . 1 . . . . 27 LEU HG . 25964 1 211 . 1 1 27 27 LEU HD11 H 1 0.794 0.007 . 2 . . . . 27 LEU HD11 . 25964 1 212 . 1 1 27 27 LEU HD12 H 1 0.794 0.007 . 2 . . . . 27 LEU HD12 . 25964 1 213 . 1 1 27 27 LEU HD13 H 1 0.794 0.007 . 2 . . . . 27 LEU HD13 . 25964 1 214 . 1 1 27 27 LEU HD21 H 1 0.678 0.004 . 2 . . . . 27 LEU HD21 . 25964 1 215 . 1 1 27 27 LEU HD22 H 1 0.678 0.004 . 2 . . . . 27 LEU HD22 . 25964 1 216 . 1 1 27 27 LEU HD23 H 1 0.678 0.004 . 2 . . . . 27 LEU HD23 . 25964 1 217 . 1 1 27 27 LEU C C 13 176.596 0.05 . 1 . . . . 27 LEU C . 25964 1 218 . 1 1 27 27 LEU CA C 13 53.453 0.074 . 1 . . . . 27 LEU CA . 25964 1 219 . 1 1 27 27 LEU CB C 13 42.607 0.02 . 1 . . . . 27 LEU CB . 25964 1 220 . 1 1 27 27 LEU CG C 13 26.758 0.049 . 1 . . . . 27 LEU CG . 25964 1 221 . 1 1 27 27 LEU CD1 C 13 24.994 0.015 . 2 . . . . 27 LEU CD1 . 25964 1 222 . 1 1 27 27 LEU CD2 C 13 24.004 0.045 . 2 . . . . 27 LEU CD2 . 25964 1 223 . 1 1 27 27 LEU N N 15 128.200 0.064 . 1 . . . . 27 LEU N . 25964 1 224 . 1 1 28 28 SER H H 1 8.798 0.007 . 1 . . . . 28 SER H . 25964 1 225 . 1 1 28 28 SER HA H 1 4.582 0.007 . 1 . . . . 28 SER HA . 25964 1 226 . 1 1 28 28 SER HB2 H 1 3.833 0.05 . 2 . . . . 28 SER HB2 . 25964 1 227 . 1 1 28 28 SER HB3 H 1 3.775 0.05 . 2 . . . . 28 SER HB3 . 25964 1 228 . 1 1 28 28 SER C C 13 173.941 0.05 . 1 . . . . 28 SER C . 25964 1 229 . 1 1 28 28 SER CA C 13 57.796 0.073 . 1 . . . . 28 SER CA . 25964 1 230 . 1 1 28 28 SER CB C 13 64.727 0.05 . 1 . . . . 28 SER CB . 25964 1 231 . 1 1 28 28 SER N N 15 119.325 0.047 . 1 . . . . 28 SER N . 25964 1 232 . 1 1 29 29 SER H H 1 8.611 0.004 . 1 . . . . 29 SER H . 25964 1 233 . 1 1 29 29 SER HA H 1 4.711 0.01 . 1 . . . . 29 SER HA . 25964 1 234 . 1 1 29 29 SER HB2 H 1 3.869 0.003 . 2 . . . . 29 SER HB2 . 25964 1 235 . 1 1 29 29 SER HB3 H 1 3.806 0.001 . 2 . . . . 29 SER HB3 . 25964 1 236 . 1 1 29 29 SER C C 13 174.618 0.05 . 1 . . . . 29 SER C . 25964 1 237 . 1 1 29 29 SER CA C 13 58.078 0.005 . 1 . . . . 29 SER CA . 25964 1 238 . 1 1 29 29 SER CB C 13 64.109 0.05 . 1 . . . . 29 SER CB . 25964 1 239 . 1 1 29 29 SER N N 15 117.790 0.066 . 1 . . . . 29 SER N . 25964 1 240 . 1 1 30 30 THR H H 1 8.294 0.003 . 1 . . . . 30 THR H . 25964 1 241 . 1 1 30 30 THR HA H 1 4.362 0.005 . 1 . . . . 30 THR HA . 25964 1 242 . 1 1 30 30 THR HB H 1 4.178 0.003 . 1 . . . . 30 THR HB . 25964 1 243 . 1 1 30 30 THR HG21 H 1 1.131 0.001 . 1 . . . . 30 THR HG21 . 25964 1 244 . 1 1 30 30 THR HG22 H 1 1.131 0.001 . 1 . . . . 30 THR HG22 . 25964 1 245 . 1 1 30 30 THR HG23 H 1 1.131 0.001 . 1 . . . . 30 THR HG23 . 25964 1 246 . 1 1 30 30 THR C C 13 173.983 0.05 . 1 . . . . 30 THR C . 25964 1 247 . 1 1 30 30 THR CA C 13 61.617 0.019 . 1 . . . . 30 THR CA . 25964 1 248 . 1 1 30 30 THR CB C 13 69.751 0.011 . 1 . . . . 30 THR CB . 25964 1 249 . 1 1 30 30 THR N N 15 115.709 0.054 . 1 . . . . 30 THR N . 25964 1 250 . 1 1 31 31 ASN H H 1 8.484 0.003 . 1 . . . . 31 ASN H . 25964 1 251 . 1 1 31 31 ASN HA H 1 4.763 0.011 . 1 . . . . 31 ASN HA . 25964 1 252 . 1 1 31 31 ASN HB2 H 1 2.795 0.002 . 2 . . . . 31 ASN HB2 . 25964 1 253 . 1 1 31 31 ASN HB3 H 1 2.697 0.002 . 2 . . . . 31 ASN HB3 . 25964 1 254 . 1 1 31 31 ASN C C 13 175.148 0.05 . 1 . . . . 31 ASN C . 25964 1 255 . 1 1 31 31 ASN CA C 13 53.140 0.025 . 1 . . . . 31 ASN CA . 25964 1 256 . 1 1 31 31 ASN CB C 13 38.815 0.05 . 1 . . . . 31 ASN CB . 25964 1 257 . 1 1 31 31 ASN N N 15 121.204 0.034 . 1 . . . . 31 ASN N . 25964 1 258 . 1 1 32 32 VAL H H 1 8.112 0.003 . 1 . . . . 32 VAL H . 25964 1 259 . 1 1 32 32 VAL HA H 1 4.091 0.006 . 1 . . . . 32 VAL HA . 25964 1 260 . 1 1 32 32 VAL HB H 1 2.057 0.001 . 1 . . . . 32 VAL HB . 25964 1 261 . 1 1 32 32 VAL HG11 H 1 0.869 0.001 . 1 . . . . 32 VAL HG11 . 25964 1 262 . 1 1 32 32 VAL HG12 H 1 0.869 0.001 . 1 . . . . 32 VAL HG12 . 25964 1 263 . 1 1 32 32 VAL HG13 H 1 0.869 0.001 . 1 . . . . 32 VAL HG13 . 25964 1 264 . 1 1 32 32 VAL C C 13 176.537 0.05 . 1 . . . . 32 VAL C . 25964 1 265 . 1 1 32 32 VAL CA C 13 62.460 0.02 . 1 . . . . 32 VAL CA . 25964 1 266 . 1 1 32 32 VAL CB C 13 32.530 0.05 . 1 . . . . 32 VAL CB . 25964 1 267 . 1 1 32 32 VAL N N 15 120.215 0.063 . 1 . . . . 32 VAL N . 25964 1 268 . 1 1 33 33 GLY H H 1 8.434 0.004 . 1 . . . . 33 GLY H . 25964 1 269 . 1 1 33 33 GLY HA2 H 1 3.946 0.002 . 1 . . . . 33 GLY HA2 . 25964 1 270 . 1 1 33 33 GLY C C 13 174.092 0.05 . 1 . . . . 33 GLY C . 25964 1 271 . 1 1 33 33 GLY CA C 13 45.173 0.039 . 1 . . . . 33 GLY CA . 25964 1 272 . 1 1 33 33 GLY N N 15 112.079 0.055 . 1 . . . . 33 GLY N . 25964 1 273 . 1 1 34 34 SER H H 1 8.149 0.003 . 1 . . . . 34 SER H . 25964 1 274 . 1 1 34 34 SER HA H 1 4.432 0.007 . 1 . . . . 34 SER HA . 25964 1 275 . 1 1 34 34 SER HB2 H 1 3.833 0.005 . 1 . . . . 34 SER HB2 . 25964 1 276 . 1 1 34 34 SER C C 13 174.285 0.05 . 1 . . . . 34 SER C . 25964 1 277 . 1 1 34 34 SER CA C 13 58.176 0.016 . 1 . . . . 34 SER CA . 25964 1 278 . 1 1 34 34 SER CB C 13 63.869 0.001 . 1 . . . . 34 SER CB . 25964 1 279 . 1 1 34 34 SER N N 15 115.316 0.025 . 1 . . . . 34 SER N . 25964 1 280 . 1 1 35 35 ASN H H 1 8.483 0.003 . 1 . . . . 35 ASN H . 25964 1 281 . 1 1 35 35 ASN HA H 1 4.753 0.013 . 1 . . . . 35 ASN HA . 25964 1 282 . 1 1 35 35 ASN HB2 H 1 2.719 0.001 . 1 . . . . 35 ASN HB2 . 25964 1 283 . 1 1 35 35 ASN C C 13 174.989 0.05 . 1 . . . . 35 ASN C . 25964 1 284 . 1 1 35 35 ASN CA C 13 53.230 0.018 . 1 . . . . 35 ASN CA . 25964 1 285 . 1 1 35 35 ASN CB C 13 38.857 0.05 . 1 . . . . 35 ASN CB . 25964 1 286 . 1 1 35 35 ASN N N 15 120.581 0.056 . 1 . . . . 35 ASN N . 25964 1 287 . 1 1 36 36 THR H H 1 7.988 0.002 . 1 . . . . 36 THR H . 25964 1 288 . 1 1 36 36 THR HA H 1 4.264 0.002 . 1 . . . . 36 THR HA . 25964 1 289 . 1 1 36 36 THR HB H 1 4.142 0.002 . 1 . . . . 36 THR HB . 25964 1 290 . 1 1 36 36 THR HG21 H 1 1.081 0.006 . 1 . . . . 36 THR HG21 . 25964 1 291 . 1 1 36 36 THR HG22 H 1 1.081 0.006 . 1 . . . . 36 THR HG22 . 25964 1 292 . 1 1 36 36 THR HG23 H 1 1.081 0.006 . 1 . . . . 36 THR HG23 . 25964 1 293 . 1 1 36 36 THR C C 13 173.184 0.05 . 1 . . . . 36 THR C . 25964 1 294 . 1 1 36 36 THR CA C 13 61.615 0.018 . 1 . . . . 36 THR CA . 25964 1 295 . 1 1 36 36 THR CB C 13 69.790 0.05 . 1 . . . . 36 THR CB . 25964 1 296 . 1 1 36 36 THR N N 15 113.794 0.059 . 1 . . . . 36 THR N . 25964 1 297 . 1 1 37 37 TYR H H 1 7.718 0.003 . 1 . . . . 37 TYR H . 25964 1 298 . 1 1 37 37 TYR HA H 1 4.374 0.003 . 1 . . . . 37 TYR HA . 25964 1 299 . 1 1 37 37 TYR HB2 H 1 3.044 0.008 . 2 . . . . 37 TYR HB2 . 25964 1 300 . 1 1 37 37 TYR HB3 H 1 2.855 0.006 . 2 . . . . 37 TYR HB3 . 25964 1 301 . 1 1 37 37 TYR CA C 13 59.107 0.011 . 1 . . . . 37 TYR CA . 25964 1 302 . 1 1 37 37 TYR CB C 13 39.319 0.05 . 1 . . . . 37 TYR CB . 25964 1 303 . 1 1 37 37 TYR N N 15 126.893 0.04 . 1 . . . . 37 TYR N . 25964 1 304 . 2 2 11 11 SER H H 1 8.250 0.004 . 1 . . . . 11 SER H . 25964 1 305 . 2 2 11 11 SER HA H 1 4.431 0.01 . 1 . . . . 11 SER HA . 25964 1 306 . 2 2 11 11 SER HB2 H 1 3.864 0.05 . 2 . . . . 11 SER HB2 . 25964 1 307 . 2 2 11 11 SER HB3 H 1 3.805 0.05 . 2 . . . . 11 SER HB3 . 25964 1 308 . 2 2 11 11 SER CA C 13 58.465 0.013 . 1 . . . . 11 SER CA . 25964 1 309 . 2 2 11 11 SER CB C 13 63.708 0.05 . 1 . . . . 11 SER CB . 25964 1 310 . 2 2 11 11 SER N N 15 116.117 0.04 . 1 . . . . 11 SER N . 25964 1 311 . 2 2 12 12 ALA H H 1 8.270 0.003 . 1 . . . . 12 ALA H . 25964 1 312 . 2 2 12 12 ALA HA H 1 4.335 0.005 . 1 . . . . 12 ALA HA . 25964 1 313 . 2 2 12 12 ALA HB1 H 1 1.383 0.05 . 1 . . . . 12 ALA HB1 . 25964 1 314 . 2 2 12 12 ALA HB2 H 1 1.383 0.05 . 1 . . . . 12 ALA HB2 . 25964 1 315 . 2 2 12 12 ALA HB3 H 1 1.383 0.05 . 1 . . . . 12 ALA HB3 . 25964 1 316 . 2 2 12 12 ALA CA C 13 52.800 0.002 . 1 . . . . 12 ALA CA . 25964 1 317 . 2 2 12 12 ALA CB C 13 19.159 0.05 . 1 . . . . 12 ALA CB . 25964 1 318 . 2 2 12 12 ALA N N 15 125.846 0.015 . 1 . . . . 12 ALA N . 25964 1 319 . 2 2 13 13 GLY H H 1 8.337 0.003 . 1 . . . . 13 GLY H . 25964 1 320 . 2 2 13 13 GLY HA2 H 1 3.964 0.002 . 2 . . . . 13 GLY HA2 . 25964 1 321 . 2 2 13 13 GLY HA3 H 1 3.965 0.05 . 2 . . . . 13 GLY HA3 . 25964 1 322 . 2 2 13 13 GLY CA C 13 45.402 0.004 . 1 . . . . 13 GLY CA . 25964 1 323 . 2 2 13 13 GLY N N 15 107.851 0.005 . 1 . . . . 13 GLY N . 25964 1 324 . 2 2 14 14 GLY H H 1 8.104 0.003 . 1 . . . . 14 GLY H . 25964 1 325 . 2 2 14 14 GLY HA2 H 1 3.966 0.003 . 2 . . . . 14 GLY HA2 . 25964 1 326 . 2 2 14 14 GLY HA3 H 1 3.971 0.05 . 2 . . . . 14 GLY HA3 . 25964 1 327 . 2 2 14 14 GLY CA C 13 45.051 0.07 . 1 . . . . 14 GLY CA . 25964 1 328 . 2 2 14 14 GLY N N 15 108.396 0.051 . 1 . . . . 14 GLY N . 25964 1 329 . 2 2 15 15 GLU H H 1 8.209 0.007 . 1 . . . . 15 GLU H . 25964 1 330 . 2 2 15 15 GLU HA H 1 4.332 0.007 . 1 . . . . 15 GLU HA . 25964 1 331 . 2 2 15 15 GLU HB2 H 1 1.867 0.003 . 2 . . . . 15 GLU HB2 . 25964 1 332 . 2 2 15 15 GLU HB3 H 1 1.791 0.003 . 2 . . . . 15 GLU HB3 . 25964 1 333 . 2 2 15 15 GLU HG2 H 1 2.155 0.005 . 2 . . . . 15 GLU HG2 . 25964 1 334 . 2 2 15 15 GLU HG3 H 1 2.085 0.005 . 2 . . . . 15 GLU HG3 . 25964 1 335 . 2 2 15 15 GLU CA C 13 56.014 0.025 . 1 . . . . 15 GLU CA . 25964 1 336 . 2 2 15 15 GLU CB C 13 31.460 0.001 . 1 . . . . 15 GLU CB . 25964 1 337 . 2 2 15 15 GLU CG C 13 36.080 0.05 . 1 . . . . 15 GLU CG . 25964 1 338 . 2 2 15 15 GLU N N 15 119.608 0.027 . 1 . . . . 15 GLU N . 25964 1 339 . 2 2 16 16 ILE H H 1 8.099 0.006 . 1 . . . . 16 ILE H . 25964 1 340 . 2 2 16 16 ILE HA H 1 4.357 0.008 . 1 . . . . 16 ILE HA . 25964 1 341 . 2 2 16 16 ILE HB H 1 1.482 0.018 . 1 . . . . 16 ILE HB . 25964 1 342 . 2 2 16 16 ILE HG12 H 1 0.825 0.006 . 1 . . . . 16 ILE HG12 . 25964 1 343 . 2 2 16 16 ILE HG21 H 1 0.283 0.004 . 1 . . . . 16 ILE HG21 . 25964 1 344 . 2 2 16 16 ILE HG22 H 1 0.283 0.004 . 1 . . . . 16 ILE HG22 . 25964 1 345 . 2 2 16 16 ILE HG23 H 1 0.283 0.004 . 1 . . . . 16 ILE HG23 . 25964 1 346 . 2 2 16 16 ILE HD11 H 1 0.812 0.004 . 1 . . . . 16 ILE HD11 . 25964 1 347 . 2 2 16 16 ILE HD12 H 1 0.812 0.004 . 1 . . . . 16 ILE HD12 . 25964 1 348 . 2 2 16 16 ILE HD13 H 1 0.812 0.004 . 1 . . . . 16 ILE HD13 . 25964 1 349 . 2 2 16 16 ILE CA C 13 60.953 0.09 . 1 . . . . 16 ILE CA . 25964 1 350 . 2 2 16 16 ILE CB C 13 40.249 0.027 . 1 . . . . 16 ILE CB . 25964 1 351 . 2 2 16 16 ILE CG1 C 13 28.627 0.05 . 1 . . . . 16 ILE CG1 . 25964 1 352 . 2 2 16 16 ILE CG2 C 13 18.823 0.014 . 1 . . . . 16 ILE CG2 . 25964 1 353 . 2 2 16 16 ILE CD1 C 13 13.711 0.023 . 1 . . . . 16 ILE CD1 . 25964 1 354 . 2 2 16 16 ILE N N 15 121.428 0.044 . 1 . . . . 16 ILE N . 25964 1 355 . 2 2 17 17 VAL H H 1 8.675 0.006 . 1 . . . . 17 VAL H . 25964 1 356 . 2 2 17 17 VAL HA H 1 4.205 0.01 . 1 . . . . 17 VAL HA . 25964 1 357 . 2 2 17 17 VAL HB H 1 1.919 0.005 . 1 . . . . 17 VAL HB . 25964 1 358 . 2 2 17 17 VAL HG11 H 1 0.844 0.004 . 2 . . . . 17 VAL HG11 . 25964 1 359 . 2 2 17 17 VAL HG12 H 1 0.844 0.004 . 2 . . . . 17 VAL HG12 . 25964 1 360 . 2 2 17 17 VAL HG13 H 1 0.844 0.004 . 2 . . . . 17 VAL HG13 . 25964 1 361 . 2 2 17 17 VAL HG21 H 1 0.750 0.006 . 2 . . . . 17 VAL HG21 . 25964 1 362 . 2 2 17 17 VAL HG22 H 1 0.750 0.006 . 2 . . . . 17 VAL HG22 . 25964 1 363 . 2 2 17 17 VAL HG23 H 1 0.750 0.006 . 2 . . . . 17 VAL HG23 . 25964 1 364 . 2 2 17 17 VAL CA C 13 61.340 0.031 . 1 . . . . 17 VAL CA . 25964 1 365 . 2 2 17 17 VAL CB C 13 33.521 0.047 . 1 . . . . 17 VAL CB . 25964 1 366 . 2 2 17 17 VAL CG1 C 13 21.472 0.026 . 2 . . . . 17 VAL CG1 . 25964 1 367 . 2 2 17 17 VAL CG2 C 13 21.045 0.047 . 2 . . . . 17 VAL CG2 . 25964 1 368 . 2 2 17 17 VAL N N 15 128.312 0.12 . 1 . . . . 17 VAL N . 25964 1 369 . 2 2 18 18 TYR H H 1 8.477 0.007 . 1 . . . . 18 TYR H . 25964 1 370 . 2 2 18 18 TYR HB2 H 1 2.781 0.003 . 2 . . . . 18 TYR HB2 . 25964 1 371 . 2 2 18 18 TYR HB3 H 1 3.030 0.003 . 2 . . . . 18 TYR HB3 . 25964 1 372 . 2 2 18 18 TYR HD1 H 1 7.031 0.008 . 1 . . . . 18 TYR HD1 . 25964 1 373 . 2 2 18 18 TYR HD2 H 1 7.031 0.008 . 1 . . . . 18 TYR HD2 . 25964 1 374 . 2 2 18 18 TYR HE1 H 1 6.581 0.001 . 1 . . . . 18 TYR HE1 . 25964 1 375 . 2 2 18 18 TYR HE2 H 1 6.581 0.001 . 1 . . . . 18 TYR HE2 . 25964 1 376 . 2 2 18 18 TYR CA C 13 58.015 0.001 . 1 . . . . 18 TYR CA . 25964 1 377 . 2 2 18 18 TYR CB C 13 39.520 0.048 . 1 . . . . 18 TYR CB . 25964 1 378 . 2 2 18 18 TYR N N 15 127.035 0.129 . 1 . . . . 18 TYR N . 25964 1 379 . 2 2 19 19 LEU H H 1 8.130 0.011 . 1 . . . . 19 LEU H . 25964 1 380 . 2 2 19 19 LEU HA H 1 4.821 0.002 . 1 . . . . 19 LEU HA . 25964 1 381 . 2 2 19 19 LEU HB2 H 1 1.441 0.001 . 2 . . . . 19 LEU HB2 . 25964 1 382 . 2 2 19 19 LEU HB3 H 1 1.474 0.013 . 2 . . . . 19 LEU HB3 . 25964 1 383 . 2 2 19 19 LEU HG H 1 1.368 0.028 . 1 . . . . 19 LEU HG . 25964 1 384 . 2 2 19 19 LEU HD11 H 1 0.523 0.003 . 2 . . . . 19 LEU HD11 . 25964 1 385 . 2 2 19 19 LEU HD12 H 1 0.523 0.003 . 2 . . . . 19 LEU HD12 . 25964 1 386 . 2 2 19 19 LEU HD13 H 1 0.523 0.003 . 2 . . . . 19 LEU HD13 . 25964 1 387 . 2 2 19 19 LEU HD21 H 1 0.527 0.001 . 2 . . . . 19 LEU HD21 . 25964 1 388 . 2 2 19 19 LEU HD22 H 1 0.527 0.001 . 2 . . . . 19 LEU HD22 . 25964 1 389 . 2 2 19 19 LEU HD23 H 1 0.527 0.001 . 2 . . . . 19 LEU HD23 . 25964 1 390 . 2 2 19 19 LEU CA C 13 52.085 0.02 . 1 . . . . 19 LEU CA . 25964 1 391 . 2 2 19 19 LEU CB C 13 42.931 0.051 . 1 . . . . 19 LEU CB . 25964 1 392 . 2 2 19 19 LEU CG C 13 25.700 0.063 . 1 . . . . 19 LEU CG . 25964 1 393 . 2 2 19 19 LEU CD1 C 13 23.060 0.037 . 2 . . . . 19 LEU CD1 . 25964 1 394 . 2 2 19 19 LEU CD2 C 13 25.885 0.05 . 2 . . . . 19 LEU CD2 . 25964 1 395 . 2 2 19 19 LEU N N 15 120.796 0.055 . 1 . . . . 19 LEU N . 25964 1 396 . 2 2 20 20 PRO CA C 13 64.517 0.05 . 1 . . . . 20 PRO CA . 25964 1 397 . 2 2 21 21 ASN H H 1 8.773 0.004 . 1 . . . . 21 ASN H . 25964 1 398 . 2 2 21 21 ASN CA C 13 52.667 0.027 . 1 . . . . 21 ASN CA . 25964 1 399 . 2 2 21 21 ASN CB C 13 38.811 0.005 . 1 . . . . 21 ASN CB . 25964 1 400 . 2 2 21 21 ASN N N 15 113.308 0.053 . 1 . . . . 21 ASN N . 25964 1 401 . 2 2 22 22 LEU H H 1 6.923 0.007 . 1 . . . . 22 LEU H . 25964 1 402 . 2 2 22 22 LEU HA H 1 4.366 0.01 . 1 . . . . 22 LEU HA . 25964 1 403 . 2 2 22 22 LEU HB2 H 1 1.593 0.012 . 2 . . . . 22 LEU HB2 . 25964 1 404 . 2 2 22 22 LEU HB3 H 1 1.581 0.05 . 2 . . . . 22 LEU HB3 . 25964 1 405 . 2 2 22 22 LEU HG H 1 1.655 0.015 . 1 . . . . 22 LEU HG . 25964 1 406 . 2 2 22 22 LEU HD11 H 1 0.785 0.006 . 2 . . . . 22 LEU HD11 . 25964 1 407 . 2 2 22 22 LEU HD12 H 1 0.785 0.006 . 2 . . . . 22 LEU HD12 . 25964 1 408 . 2 2 22 22 LEU HD13 H 1 0.785 0.006 . 2 . . . . 22 LEU HD13 . 25964 1 409 . 2 2 22 22 LEU HD21 H 1 0.678 0.003 . 2 . . . . 22 LEU HD21 . 25964 1 410 . 2 2 22 22 LEU HD22 H 1 0.678 0.003 . 2 . . . . 22 LEU HD22 . 25964 1 411 . 2 2 22 22 LEU HD23 H 1 0.678 0.003 . 2 . . . . 22 LEU HD23 . 25964 1 412 . 2 2 22 22 LEU CA C 13 54.668 0.048 . 1 . . . . 22 LEU CA . 25964 1 413 . 2 2 22 22 LEU CB C 13 42.334 0.027 . 1 . . . . 22 LEU CB . 25964 1 414 . 2 2 22 22 LEU CG C 13 28.134 0.07 . 1 . . . . 22 LEU CG . 25964 1 415 . 2 2 22 22 LEU CD1 C 13 25.534 0.05 . 2 . . . . 22 LEU CD1 . 25964 1 416 . 2 2 22 22 LEU CD2 C 13 22.882 0.019 . 2 . . . . 22 LEU CD2 . 25964 1 417 . 2 2 22 22 LEU N N 15 120.348 0.025 . 1 . . . . 22 LEU N . 25964 1 418 . 2 2 23 23 ASN H H 1 8.853 0.005 . 1 . . . . 23 ASN H . 25964 1 419 . 2 2 23 23 ASN CA C 13 51.356 0.002 . 1 . . . . 23 ASN CA . 25964 1 420 . 2 2 23 23 ASN CB C 13 36.870 0.05 . 1 . . . . 23 ASN CB . 25964 1 421 . 2 2 23 23 ASN N N 15 121.815 0.079 . 1 . . . . 23 ASN N . 25964 1 422 . 2 2 24 24 PRO HA H 1 3.693 0.007 . 1 . . . . 24 PRO HA . 25964 1 423 . 2 2 24 24 PRO HB2 H 1 1.111 0.019 . 2 . . . . 24 PRO HB2 . 25964 1 424 . 2 2 24 24 PRO HB3 H 1 1.125 0.005 . 2 . . . . 24 PRO HB3 . 25964 1 425 . 2 2 24 24 PRO HG2 H 1 1.281 0.002 . 2 . . . . 24 PRO HG2 . 25964 1 426 . 2 2 24 24 PRO HG3 H 1 1.535 0.007 . 2 . . . . 24 PRO HG3 . 25964 1 427 . 2 2 24 24 PRO HD2 H 1 3.482 0.05 . 2 . . . . 24 PRO HD2 . 25964 1 428 . 2 2 24 24 PRO HD3 H 1 3.268 0.014 . 2 . . . . 24 PRO HD3 . 25964 1 429 . 2 2 24 24 PRO CA C 13 66.145 0.071 . 1 . . . . 24 PRO CA . 25964 1 430 . 2 2 24 24 PRO CB C 13 31.550 0.035 . 1 . . . . 24 PRO CB . 25964 1 431 . 2 2 24 24 PRO CG C 13 27.760 0.005 . 1 . . . . 24 PRO CG . 25964 1 432 . 2 2 24 24 PRO CD C 13 49.512 0.023 . 1 . . . . 24 PRO CD . 25964 1 433 . 2 2 25 25 ASP H H 1 7.869 0.006 . 1 . . . . 25 ASP H . 25964 1 434 . 2 2 25 25 ASP CA C 13 57.582 0.05 . 1 . . . . 25 ASP CA . 25964 1 435 . 2 2 25 25 ASP CB C 13 39.975 0.05 . 1 . . . . 25 ASP CB . 25964 1 436 . 2 2 25 25 ASP N N 15 116.580 0.048 . 1 . . . . 25 ASP N . 25964 1 437 . 2 2 27 27 LEU H H 1 8.582 0.005 . 1 . . . . 27 LEU H . 25964 1 438 . 2 2 27 27 LEU HA H 1 4.030 0.05 . 1 . . . . 27 LEU HA . 25964 1 439 . 2 2 27 27 LEU HB2 H 1 1.665 0.007 . 2 . . . . 27 LEU HB2 . 25964 1 440 . 2 2 27 27 LEU HB3 H 1 1.192 0.011 . 2 . . . . 27 LEU HB3 . 25964 1 441 . 2 2 27 27 LEU HG H 1 1.525 0.007 . 1 . . . . 27 LEU HG . 25964 1 442 . 2 2 27 27 LEU HD11 H 1 0.803 0.011 . 2 . . . . 27 LEU HD11 . 25964 1 443 . 2 2 27 27 LEU HD12 H 1 0.803 0.011 . 2 . . . . 27 LEU HD12 . 25964 1 444 . 2 2 27 27 LEU HD13 H 1 0.803 0.011 . 2 . . . . 27 LEU HD13 . 25964 1 445 . 2 2 27 27 LEU HD21 H 1 0.847 0.007 . 2 . . . . 27 LEU HD21 . 25964 1 446 . 2 2 27 27 LEU HD22 H 1 0.847 0.007 . 2 . . . . 27 LEU HD22 . 25964 1 447 . 2 2 27 27 LEU HD23 H 1 0.847 0.007 . 2 . . . . 27 LEU HD23 . 25964 1 448 . 2 2 27 27 LEU CA C 13 58.182 0.05 . 1 . . . . 27 LEU CA . 25964 1 449 . 2 2 27 27 LEU CB C 13 42.271 0.031 . 1 . . . . 27 LEU CB . 25964 1 450 . 2 2 27 27 LEU CG C 13 27.139 0.033 . 1 . . . . 27 LEU CG . 25964 1 451 . 2 2 27 27 LEU CD1 C 13 25.464 0.037 . 2 . . . . 27 LEU CD1 . 25964 1 452 . 2 2 27 27 LEU CD2 C 13 25.056 0.013 . 2 . . . . 27 LEU CD2 . 25964 1 453 . 2 2 27 27 LEU N N 15 121.185 0.047 . 1 . . . . 27 LEU N . 25964 1 454 . 2 2 29 29 ALA H H 1 8.037 0.004 . 1 . . . . 29 ALA H . 25964 1 455 . 2 2 29 29 ALA HA H 1 4.224 0.003 . 1 . . . . 29 ALA HA . 25964 1 456 . 2 2 29 29 ALA HB1 H 1 1.476 0.001 . 1 . . . . 29 ALA HB1 . 25964 1 457 . 2 2 29 29 ALA HB2 H 1 1.476 0.001 . 1 . . . . 29 ALA HB2 . 25964 1 458 . 2 2 29 29 ALA HB3 H 1 1.476 0.001 . 1 . . . . 29 ALA HB3 . 25964 1 459 . 2 2 29 29 ALA CA C 13 55.516 0.005 . 1 . . . . 29 ALA CA . 25964 1 460 . 2 2 29 29 ALA CB C 13 17.714 0.003 . 1 . . . . 29 ALA CB . 25964 1 461 . 2 2 29 29 ALA N N 15 122.259 0.045 . 1 . . . . 29 ALA N . 25964 1 462 . 2 2 30 30 PHE H H 1 7.786 0.006 . 1 . . . . 30 PHE H . 25964 1 463 . 2 2 30 30 PHE HA H 1 4.482 0.002 . 1 . . . . 30 PHE HA . 25964 1 464 . 2 2 30 30 PHE HB2 H 1 3.218 0.005 . 1 . . . . 30 PHE HB2 . 25964 1 465 . 2 2 30 30 PHE HB3 H 1 3.218 0.005 . 1 . . . . 30 PHE HB3 . 25964 1 466 . 2 2 30 30 PHE HD1 H 1 7.157 0.005 . 1 . . . . 30 PHE HD1 . 25964 1 467 . 2 2 30 30 PHE HD2 H 1 7.157 0.005 . 1 . . . . 30 PHE HD2 . 25964 1 468 . 2 2 30 30 PHE CA C 13 61.082 0.045 . 1 . . . . 30 PHE CA . 25964 1 469 . 2 2 30 30 PHE CB C 13 38.591 0.004 . 1 . . . . 30 PHE CB . 25964 1 470 . 2 2 30 30 PHE N N 15 120.027 0.05 . 1 . . . . 30 PHE N . 25964 1 471 . 2 2 31 31 ILE H H 1 8.295 0.01 . 1 . . . . 31 ILE H . 25964 1 472 . 2 2 31 31 ILE HA H 1 3.307 0.012 . 1 . . . . 31 ILE HA . 25964 1 473 . 2 2 31 31 ILE HB H 1 1.754 0.008 . 1 . . . . 31 ILE HB . 25964 1 474 . 2 2 31 31 ILE HG12 H 1 1.304 0.004 . 2 . . . . 31 ILE HG12 . 25964 1 475 . 2 2 31 31 ILE HG13 H 1 0.460 0.004 . 2 . . . . 31 ILE HG13 . 25964 1 476 . 2 2 31 31 ILE HG21 H 1 0.529 0.005 . 1 . . . . 31 ILE HG21 . 25964 1 477 . 2 2 31 31 ILE HG22 H 1 0.529 0.005 . 1 . . . . 31 ILE HG22 . 25964 1 478 . 2 2 31 31 ILE HG23 H 1 0.529 0.005 . 1 . . . . 31 ILE HG23 . 25964 1 479 . 2 2 31 31 ILE HD11 H 1 0.259 0.005 . 1 . . . . 31 ILE HD11 . 25964 1 480 . 2 2 31 31 ILE HD12 H 1 0.259 0.005 . 1 . . . . 31 ILE HD12 . 25964 1 481 . 2 2 31 31 ILE HD13 H 1 0.259 0.005 . 1 . . . . 31 ILE HD13 . 25964 1 482 . 2 2 31 31 ILE CA C 13 64.473 0.042 . 1 . . . . 31 ILE CA . 25964 1 483 . 2 2 31 31 ILE CB C 13 37.873 0.149 . 1 . . . . 31 ILE CB . 25964 1 484 . 2 2 31 31 ILE CG1 C 13 28.644 0.055 . 1 . . . . 31 ILE CG1 . 25964 1 485 . 2 2 31 31 ILE CG2 C 13 17.921 0.038 . 1 . . . . 31 ILE CG2 . 25964 1 486 . 2 2 31 31 ILE CD1 C 13 14.042 0.112 . 1 . . . . 31 ILE CD1 . 25964 1 487 . 2 2 31 31 ILE N N 15 119.674 0.035 . 1 . . . . 31 ILE N . 25964 1 488 . 2 2 32 32 HIS H H 1 8.197 0.005 . 1 . . . . 32 HIS H . 25964 1 489 . 2 2 32 32 HIS CA C 13 60.818 0.022 . 1 . . . . 32 HIS CA . 25964 1 490 . 2 2 32 32 HIS CB C 13 28.653 0.05 . 1 . . . . 32 HIS CB . 25964 1 491 . 2 2 32 32 HIS N N 15 117.162 0.033 . 1 . . . . 32 HIS N . 25964 1 492 . 2 2 33 33 SER H H 1 8.473 0.003 . 1 . . . . 33 SER H . 25964 1 493 . 2 2 33 33 SER CA C 13 62.975 0.071 . 1 . . . . 33 SER CA . 25964 1 494 . 2 2 33 33 SER N N 15 116.852 0.039 . 1 . . . . 33 SER N . 25964 1 495 . 2 2 34 34 ILE H H 1 8.029 0.008 . 1 . . . . 34 ILE H . 25964 1 496 . 2 2 34 34 ILE HA H 1 3.639 0.009 . 1 . . . . 34 ILE HA . 25964 1 497 . 2 2 34 34 ILE HB H 1 1.725 0.004 . 1 . . . . 34 ILE HB . 25964 1 498 . 2 2 34 34 ILE HG12 H 1 1.000 0.004 . 2 . . . . 34 ILE HG12 . 25964 1 499 . 2 2 34 34 ILE HG13 H 1 1.201 0.008 . 2 . . . . 34 ILE HG13 . 25964 1 500 . 2 2 34 34 ILE HG21 H 1 0.723 0.004 . 1 . . . . 34 ILE HG21 . 25964 1 501 . 2 2 34 34 ILE HG22 H 1 0.723 0.004 . 1 . . . . 34 ILE HG22 . 25964 1 502 . 2 2 34 34 ILE HG23 H 1 0.723 0.004 . 1 . . . . 34 ILE HG23 . 25964 1 503 . 2 2 34 34 ILE HD11 H 1 0.667 0.007 . 1 . . . . 34 ILE HD11 . 25964 1 504 . 2 2 34 34 ILE HD12 H 1 0.667 0.007 . 1 . . . . 34 ILE HD12 . 25964 1 505 . 2 2 34 34 ILE HD13 H 1 0.667 0.007 . 1 . . . . 34 ILE HD13 . 25964 1 506 . 2 2 34 34 ILE CA C 13 63.720 0.034 . 1 . . . . 34 ILE CA . 25964 1 507 . 2 2 34 34 ILE CB C 13 37.346 0.067 . 1 . . . . 34 ILE CB . 25964 1 508 . 2 2 34 34 ILE CG1 C 13 28.156 0.024 . 1 . . . . 34 ILE CG1 . 25964 1 509 . 2 2 34 34 ILE CG2 C 13 17.798 0.035 . 1 . . . . 34 ILE CG2 . 25964 1 510 . 2 2 34 34 ILE CD1 C 13 13.029 0.036 . 1 . . . . 34 ILE CD1 . 25964 1 511 . 2 2 34 34 ILE N N 15 119.889 0.049 . 1 . . . . 34 ILE N . 25964 1 512 . 2 2 35 35 HIS H H 1 7.362 0.009 . 1 . . . . 35 HIS H . 25964 1 513 . 2 2 35 35 HIS HA H 1 4.187 0.009 . 1 . . . . 35 HIS HA . 25964 1 514 . 2 2 35 35 HIS HB2 H 1 3.336 0.005 . 2 . . . . 35 HIS HB2 . 25964 1 515 . 2 2 35 35 HIS HB3 H 1 3.272 0.012 . 2 . . . . 35 HIS HB3 . 25964 1 516 . 2 2 35 35 HIS CA C 13 59.218 0.051 . 1 . . . . 35 HIS CA . 25964 1 517 . 2 2 35 35 HIS CB C 13 29.088 0.05 . 1 . . . . 35 HIS CB . 25964 1 518 . 2 2 35 35 HIS N N 15 118.041 0.056 . 1 . . . . 35 HIS N . 25964 1 519 . 2 2 36 36 ASP H H 1 8.411 0.007 . 1 . . . . 36 ASP H . 25964 1 520 . 2 2 36 36 ASP CA C 13 56.410 0.009 . 1 . . . . 36 ASP CA . 25964 1 521 . 2 2 36 36 ASP CB C 13 40.637 0.05 . 1 . . . . 36 ASP CB . 25964 1 522 . 2 2 36 36 ASP N N 15 118.363 0.048 . 1 . . . . 36 ASP N . 25964 1 523 . 2 2 37 37 ASP H H 1 7.519 0.002 . 1 . . . . 37 ASP H . 25964 1 524 . 2 2 37 37 ASP CA C 13 51.562 0.019 . 1 . . . . 37 ASP CA . 25964 1 525 . 2 2 37 37 ASP CB C 13 40.440 0.05 . 1 . . . . 37 ASP CB . 25964 1 526 . 2 2 37 37 ASP N N 15 115.326 0.036 . 1 . . . . 37 ASP N . 25964 1 527 . 2 2 38 38 PRO CA C 13 64.549 0.05 . 1 . . . . 38 PRO CA . 25964 1 528 . 2 2 38 38 PRO CB C 13 31.718 0.05 . 1 . . . . 38 PRO CB . 25964 1 529 . 2 2 39 39 SER H H 1 8.412 0.004 . 1 . . . . 39 SER H . 25964 1 530 . 2 2 39 39 SER CA C 13 61.343 0.007 . 1 . . . . 39 SER CA . 25964 1 531 . 2 2 39 39 SER CB C 13 62.578 0.05 . 1 . . . . 39 SER CB . 25964 1 532 . 2 2 39 39 SER N N 15 115.318 0.026 . 1 . . . . 39 SER N . 25964 1 533 . 2 2 40 40 GLN H H 1 7.785 0.003 . 1 . . . . 40 GLN H . 25964 1 534 . 2 2 40 40 GLN CA C 13 54.775 0.013 . 1 . . . . 40 GLN CA . 25964 1 535 . 2 2 40 40 GLN CB C 13 28.572 0.037 . 1 . . . . 40 GLN CB . 25964 1 536 . 2 2 40 40 GLN N N 15 120.187 0.015 . 1 . . . . 40 GLN N . 25964 1 537 . 2 2 41 41 SER H H 1 7.728 0.005 . 1 . . . . 41 SER H . 25964 1 538 . 2 2 41 41 SER CA C 13 63.306 0.009 . 1 . . . . 41 SER CA . 25964 1 539 . 2 2 41 41 SER N N 15 115.618 0.049 . 1 . . . . 41 SER N . 25964 1 540 . 2 2 42 42 ALA H H 1 8.631 0.003 . 1 . . . . 42 ALA H . 25964 1 541 . 2 2 42 42 ALA HA H 1 4.159 0.002 . 1 . . . . 42 ALA HA . 25964 1 542 . 2 2 42 42 ALA HB1 H 1 1.423 0.05 . 1 . . . . 42 ALA HB1 . 25964 1 543 . 2 2 42 42 ALA HB2 H 1 1.423 0.05 . 1 . . . . 42 ALA HB2 . 25964 1 544 . 2 2 42 42 ALA HB3 H 1 1.423 0.05 . 1 . . . . 42 ALA HB3 . 25964 1 545 . 2 2 42 42 ALA CA C 13 55.783 0.023 . 1 . . . . 42 ALA CA . 25964 1 546 . 2 2 42 42 ALA CB C 13 17.754 0.008 . 1 . . . . 42 ALA CB . 25964 1 547 . 2 2 42 42 ALA N N 15 123.021 0.068 . 1 . . . . 42 ALA N . 25964 1 548 . 2 2 43 43 ASN H H 1 7.962 0.003 . 1 . . . . 43 ASN H . 25964 1 549 . 2 2 43 43 ASN CA C 13 55.862 0.015 . 1 . . . . 43 ASN CA . 25964 1 550 . 2 2 43 43 ASN CB C 13 38.151 0.028 . 1 . . . . 43 ASN CB . 25964 1 551 . 2 2 43 43 ASN N N 15 118.556 0.015 . 1 . . . . 43 ASN N . 25964 1 552 . 2 2 44 44 LEU H H 1 8.702 0.007 . 1 . . . . 44 LEU H . 25964 1 553 . 2 2 44 44 LEU HB2 H 1 1.950 0.008 . 2 . . . . 44 LEU HB2 . 25964 1 554 . 2 2 44 44 LEU HB3 H 1 1.427 0.02 . 2 . . . . 44 LEU HB3 . 25964 1 555 . 2 2 44 44 LEU HG H 1 1.861 0.009 . 1 . . . . 44 LEU HG . 25964 1 556 . 2 2 44 44 LEU HD11 H 1 0.995 0.008 . 2 . . . . 44 LEU HD11 . 25964 1 557 . 2 2 44 44 LEU HD12 H 1 0.995 0.008 . 2 . . . . 44 LEU HD12 . 25964 1 558 . 2 2 44 44 LEU HD13 H 1 0.995 0.008 . 2 . . . . 44 LEU HD13 . 25964 1 559 . 2 2 44 44 LEU HD21 H 1 0.708 0.012 . 2 . . . . 44 LEU HD21 . 25964 1 560 . 2 2 44 44 LEU HD22 H 1 0.708 0.012 . 2 . . . . 44 LEU HD22 . 25964 1 561 . 2 2 44 44 LEU HD23 H 1 0.708 0.012 . 2 . . . . 44 LEU HD23 . 25964 1 562 . 2 2 44 44 LEU CA C 13 57.952 0.013 . 1 . . . . 44 LEU CA . 25964 1 563 . 2 2 44 44 LEU CB C 13 42.226 0.063 . 1 . . . . 44 LEU CB . 25964 1 564 . 2 2 44 44 LEU CG C 13 27.278 0.003 . 1 . . . . 44 LEU CG . 25964 1 565 . 2 2 44 44 LEU CD1 C 13 22.825 0.039 . 2 . . . . 44 LEU CD1 . 25964 1 566 . 2 2 44 44 LEU CD2 C 13 26.201 0.054 . 2 . . . . 44 LEU CD2 . 25964 1 567 . 2 2 44 44 LEU N N 15 121.620 0.061 . 1 . . . . 44 LEU N . 25964 1 568 . 2 2 45 45 LEU H H 1 8.940 0.007 . 1 . . . . 45 LEU H . 25964 1 569 . 2 2 45 45 LEU HA H 1 4.120 0.017 . 1 . . . . 45 LEU HA . 25964 1 570 . 2 2 45 45 LEU HB2 H 1 1.836 0.014 . 2 . . . . 45 LEU HB2 . 25964 1 571 . 2 2 45 45 LEU HB3 H 1 1.867 0.002 . 2 . . . . 45 LEU HB3 . 25964 1 572 . 2 2 45 45 LEU HG H 1 1.657 0.003 . 1 . . . . 45 LEU HG . 25964 1 573 . 2 2 45 45 LEU HD11 H 1 0.885 0.005 . 2 . . . . 45 LEU HD11 . 25964 1 574 . 2 2 45 45 LEU HD12 H 1 0.885 0.005 . 2 . . . . 45 LEU HD12 . 25964 1 575 . 2 2 45 45 LEU HD13 H 1 0.885 0.005 . 2 . . . . 45 LEU HD13 . 25964 1 576 . 2 2 45 45 LEU HD21 H 1 0.841 0.001 . 2 . . . . 45 LEU HD21 . 25964 1 577 . 2 2 45 45 LEU HD22 H 1 0.841 0.001 . 2 . . . . 45 LEU HD22 . 25964 1 578 . 2 2 45 45 LEU HD23 H 1 0.841 0.001 . 2 . . . . 45 LEU HD23 . 25964 1 579 . 2 2 45 45 LEU CA C 13 58.080 0.035 . 1 . . . . 45 LEU CA . 25964 1 580 . 2 2 45 45 LEU CB C 13 41.512 0.033 . 1 . . . . 45 LEU CB . 25964 1 581 . 2 2 45 45 LEU CG C 13 27.610 0.038 . 1 . . . . 45 LEU CG . 25964 1 582 . 2 2 45 45 LEU CD1 C 13 25.422 0.01 . 2 . . . . 45 LEU CD1 . 25964 1 583 . 2 2 45 45 LEU CD2 C 13 23.831 0.021 . 2 . . . . 45 LEU CD2 . 25964 1 584 . 2 2 45 45 LEU N N 15 122.129 0.085 . 1 . . . . 45 LEU N . 25964 1 585 . 2 2 46 46 ALA H H 1 7.794 0.003 . 1 . . . . 46 ALA H . 25964 1 586 . 2 2 46 46 ALA CA C 13 55.414 0.003 . 1 . . . . 46 ALA CA . 25964 1 587 . 2 2 46 46 ALA CB C 13 17.722 0.05 . 1 . . . . 46 ALA CB . 25964 1 588 . 2 2 46 46 ALA N N 15 121.456 0.052 . 1 . . . . 46 ALA N . 25964 1 589 . 2 2 47 47 GLU H H 1 8.006 0.004 . 1 . . . . 47 GLU H . 25964 1 590 . 2 2 47 47 GLU CA C 13 58.948 0.035 . 1 . . . . 47 GLU CA . 25964 1 591 . 2 2 47 47 GLU CB C 13 29.379 0.055 . 1 . . . . 47 GLU CB . 25964 1 592 . 2 2 47 47 GLU N N 15 118.379 0.073 . 1 . . . . 47 GLU N . 25964 1 593 . 2 2 48 48 ALA H H 1 8.204 0.004 . 1 . . . . 48 ALA H . 25964 1 594 . 2 2 48 48 ALA HA H 1 4.012 0.009 . 1 . . . . 48 ALA HA . 25964 1 595 . 2 2 48 48 ALA HB1 H 1 0.857 0.005 . 1 . . . . 48 ALA HB1 . 25964 1 596 . 2 2 48 48 ALA HB2 H 1 0.857 0.005 . 1 . . . . 48 ALA HB2 . 25964 1 597 . 2 2 48 48 ALA HB3 H 1 0.857 0.005 . 1 . . . . 48 ALA HB3 . 25964 1 598 . 2 2 48 48 ALA CA C 13 55.096 0.025 . 1 . . . . 48 ALA CA . 25964 1 599 . 2 2 48 48 ALA CB C 13 16.857 0.033 . 1 . . . . 48 ALA CB . 25964 1 600 . 2 2 48 48 ALA N N 15 125.027 0.07 . 1 . . . . 48 ALA N . 25964 1 601 . 2 2 49 49 LYS H H 1 8.468 0.004 . 1 . . . . 49 LYS H . 25964 1 602 . 2 2 49 49 LYS HA H 1 3.674 0.006 . 1 . . . . 49 LYS HA . 25964 1 603 . 2 2 49 49 LYS HB2 H 1 1.967 0.006 . 2 . . . . 49 LYS HB2 . 25964 1 604 . 2 2 49 49 LYS HB3 H 1 1.743 0.005 . 2 . . . . 49 LYS HB3 . 25964 1 605 . 2 2 49 49 LYS HG2 H 1 1.434 0.012 . 2 . . . . 49 LYS HG2 . 25964 1 606 . 2 2 49 49 LYS HG3 H 1 1.483 0.04 . 2 . . . . 49 LYS HG3 . 25964 1 607 . 2 2 49 49 LYS HD2 H 1 1.607 0.005 . 2 . . . . 49 LYS HD2 . 25964 1 608 . 2 2 49 49 LYS HD3 H 1 1.745 0.005 . 2 . . . . 49 LYS HD3 . 25964 1 609 . 2 2 49 49 LYS HE2 H 1 3.045 0.002 . 1 . . . . 49 LYS HE2 . 25964 1 610 . 2 2 49 49 LYS HE3 H 1 3.045 0.002 . 1 . . . . 49 LYS HE3 . 25964 1 611 . 2 2 49 49 LYS CA C 13 59.412 0.038 . 1 . . . . 49 LYS CA . 25964 1 612 . 2 2 49 49 LYS CB C 13 32.487 0.036 . 1 . . . . 49 LYS CB . 25964 1 613 . 2 2 49 49 LYS CG C 13 25.412 0.052 . 1 . . . . 49 LYS CG . 25964 1 614 . 2 2 49 49 LYS CD C 13 29.331 0.109 . 1 . . . . 49 LYS CD . 25964 1 615 . 2 2 49 49 LYS CE C 13 42.183 0.002 . 1 . . . . 49 LYS CE . 25964 1 616 . 2 2 49 49 LYS N N 15 118.700 0.043 . 1 . . . . 49 LYS N . 25964 1 617 . 2 2 50 50 LYS H H 1 7.639 0.006 . 1 . . . . 50 LYS H . 25964 1 618 . 2 2 50 50 LYS CA C 13 59.676 0.015 . 1 . . . . 50 LYS CA . 25964 1 619 . 2 2 50 50 LYS CB C 13 32.477 0.008 . 1 . . . . 50 LYS CB . 25964 1 620 . 2 2 50 50 LYS N N 15 119.811 0.051 . 1 . . . . 50 LYS N . 25964 1 621 . 2 2 51 51 LEU H H 1 7.976 0.006 . 1 . . . . 51 LEU H . 25964 1 622 . 2 2 51 51 LEU HA H 1 4.117 0.05 . 1 . . . . 51 LEU HA . 25964 1 623 . 2 2 51 51 LEU HB2 H 1 1.562 0.01 . 2 . . . . 51 LEU HB2 . 25964 1 624 . 2 2 51 51 LEU HB3 H 1 1.769 0.001 . 2 . . . . 51 LEU HB3 . 25964 1 625 . 2 2 51 51 LEU HG H 1 1.348 0.008 . 1 . . . . 51 LEU HG . 25964 1 626 . 2 2 51 51 LEU HD11 H 1 0.819 0.05 . 2 . . . . 51 LEU HD11 . 25964 1 627 . 2 2 51 51 LEU HD12 H 1 0.819 0.05 . 2 . . . . 51 LEU HD12 . 25964 1 628 . 2 2 51 51 LEU HD13 H 1 0.819 0.05 . 2 . . . . 51 LEU HD13 . 25964 1 629 . 2 2 51 51 LEU HD21 H 1 0.846 0.05 . 2 . . . . 51 LEU HD21 . 25964 1 630 . 2 2 51 51 LEU HD22 H 1 0.846 0.05 . 2 . . . . 51 LEU HD22 . 25964 1 631 . 2 2 51 51 LEU HD23 H 1 0.846 0.05 . 2 . . . . 51 LEU HD23 . 25964 1 632 . 2 2 51 51 LEU CA C 13 57.561 0.019 . 1 . . . . 51 LEU CA . 25964 1 633 . 2 2 51 51 LEU CB C 13 42.039 0.053 . 1 . . . . 51 LEU CB . 25964 1 634 . 2 2 51 51 LEU CG C 13 26.678 0.026 . 1 . . . . 51 LEU CG . 25964 1 635 . 2 2 51 51 LEU CD1 C 13 24.919 0.05 . 2 . . . . 51 LEU CD1 . 25964 1 636 . 2 2 51 51 LEU CD2 C 13 23.238 0.024 . 2 . . . . 51 LEU CD2 . 25964 1 637 . 2 2 51 51 LEU N N 15 122.806 0.091 . 1 . . . . 51 LEU N . 25964 1 638 . 2 2 52 52 ASN H H 1 8.521 0.006 . 1 . . . . 52 ASN H . 25964 1 639 . 2 2 52 52 ASN CA C 13 58.002 0.012 . 1 . . . . 52 ASN CA . 25964 1 640 . 2 2 52 52 ASN CB C 13 40.931 0.05 . 1 . . . . 52 ASN CB . 25964 1 641 . 2 2 52 52 ASN N N 15 117.228 0.034 . 1 . . . . 52 ASN N . 25964 1 642 . 2 2 53 53 ASP H H 1 8.496 0.002 . 1 . . . . 53 ASP H . 25964 1 643 . 2 2 53 53 ASP CA C 13 56.783 0.023 . 1 . . . . 53 ASP CA . 25964 1 644 . 2 2 53 53 ASP CB C 13 39.454 0.019 . 1 . . . . 53 ASP CB . 25964 1 645 . 2 2 53 53 ASP N N 15 120.126 0.069 . 1 . . . . 53 ASP N . 25964 1 646 . 2 2 54 54 ALA H H 1 8.038 0.002 . 1 . . . . 54 ALA H . 25964 1 647 . 2 2 54 54 ALA CA C 13 54.121 0.013 . 1 . . . . 54 ALA CA . 25964 1 648 . 2 2 54 54 ALA CB C 13 18.371 0.008 . 1 . . . . 54 ALA CB . 25964 1 649 . 2 2 54 54 ALA N N 15 123.628 0.077 . 1 . . . . 54 ALA N . 25964 1 650 . 2 2 55 55 GLN H H 1 7.456 0.002 . 1 . . . . 55 GLN H . 25964 1 651 . 2 2 55 55 GLN HA H 1 4.964 0.05 . 1 . . . . 55 GLN HA . 25964 1 652 . 2 2 55 55 GLN CA C 13 54.983 0.007 . 1 . . . . 55 GLN CA . 25964 1 653 . 2 2 55 55 GLN CB C 13 28.317 0.05 . 1 . . . . 55 GLN CB . 25964 1 654 . 2 2 55 55 GLN N N 15 115.243 0.028 . 1 . . . . 55 GLN N . 25964 1 655 . 2 2 56 56 ALA H H 1 7.129 0.001 . 1 . . . . 56 ALA H . 25964 1 656 . 2 2 56 56 ALA HA H 1 4.317 0.05 . 1 . . . . 56 ALA HA . 25964 1 657 . 2 2 56 56 ALA CA C 13 50.938 0.018 . 1 . . . . 56 ALA CA . 25964 1 658 . 2 2 56 56 ALA CB C 13 17.876 0.05 . 1 . . . . 56 ALA CB . 25964 1 659 . 2 2 56 56 ALA N N 15 124.136 0.024 . 1 . . . . 56 ALA N . 25964 1 660 . 2 2 57 57 PRO CA C 13 62.885 0.008 . 1 . . . . 57 PRO CA . 25964 1 661 . 2 2 57 57 PRO CB C 13 31.899 0.05 . 1 . . . . 57 PRO CB . 25964 1 662 . 2 2 58 58 LYS H H 1 8.190 0.003 . 1 . . . . 58 LYS H . 25964 1 663 . 2 2 58 58 LYS HA H 1 4.250 0.008 . 1 . . . . 58 LYS HA . 25964 1 664 . 2 2 58 58 LYS CA C 13 55.707 0.007 . 1 . . . . 58 LYS CA . 25964 1 665 . 2 2 58 58 LYS CB C 13 33.031 0.003 . 1 . . . . 58 LYS CB . 25964 1 666 . 2 2 58 58 LYS N N 15 122.039 0.047 . 1 . . . . 58 LYS N . 25964 1 667 . 2 2 59 59 TRP H H 1 7.581 0.002 . 1 . . . . 59 TRP H . 25964 1 668 . 2 2 59 59 TRP HA H 1 4.516 0.05 . 1 . . . . 59 TRP HA . 25964 1 669 . 2 2 59 59 TRP HE1 H 1 10.036 0.05 . 1 . . . . 59 TRP HE1 . 25964 1 670 . 2 2 59 59 TRP CA C 13 58.240 0.05 . 1 . . . . 59 TRP CA . 25964 1 671 . 2 2 59 59 TRP CB C 13 30.120 0.05 . 1 . . . . 59 TRP CB . 25964 1 672 . 2 2 59 59 TRP N N 15 126.511 0.011 . 1 . . . . 59 TRP N . 25964 1 673 . 2 2 59 59 TRP NE1 N 15 128.671 0.05 . 1 . . . . 59 TRP NE1 . 25964 1 674 . 3 2 11 11 SER H H 1 8.225 0.002 . 1 . . . . 11 SER H . 25964 1 675 . 3 2 11 11 SER HA H 1 4.405 0.003 . 1 . . . . 11 SER HA . 25964 1 676 . 3 2 11 11 SER HB2 H 1 3.864 0.05 . 2 . . . . 11 SER HB2 . 25964 1 677 . 3 2 11 11 SER HB3 H 1 3.809 0.05 . 2 . . . . 11 SER HB3 . 25964 1 678 . 3 2 11 11 SER CA C 13 58.467 0.014 . 1 . . . . 11 SER CA . 25964 1 679 . 3 2 11 11 SER CB C 13 63.756 0.05 . 1 . . . . 11 SER CB . 25964 1 680 . 3 2 11 11 SER N N 15 115.987 0.02 . 1 . . . . 11 SER N . 25964 1 681 . 3 2 12 12 ALA H H 1 8.230 0.005 . 1 . . . . 12 ALA H . 25964 1 682 . 3 2 12 12 ALA HA H 1 4.330 0.003 . 1 . . . . 12 ALA HA . 25964 1 683 . 3 2 12 12 ALA HB1 H 1 1.382 0.002 . 1 . . . . 12 ALA HB1 . 25964 1 684 . 3 2 12 12 ALA HB2 H 1 1.382 0.002 . 1 . . . . 12 ALA HB2 . 25964 1 685 . 3 2 12 12 ALA HB3 H 1 1.382 0.002 . 1 . . . . 12 ALA HB3 . 25964 1 686 . 3 2 12 12 ALA CA C 13 52.775 0.018 . 1 . . . . 12 ALA CA . 25964 1 687 . 3 2 12 12 ALA CB C 13 19.243 0.05 . 1 . . . . 12 ALA CB . 25964 1 688 . 3 2 12 12 ALA N N 15 125.678 0.022 . 1 . . . . 12 ALA N . 25964 1 689 . 3 2 13 13 GLY H H 1 8.287 0.003 . 1 . . . . 13 GLY H . 25964 1 690 . 3 2 13 13 GLY HA2 H 1 3.943 0.005 . 2 . . . . 13 GLY HA2 . 25964 1 691 . 3 2 13 13 GLY HA3 H 1 3.947 0.05 . 2 . . . . 13 GLY HA3 . 25964 1 692 . 3 2 13 13 GLY CA C 13 45.480 0.188 . 1 . . . . 13 GLY CA . 25964 1 693 . 3 2 13 13 GLY N N 15 107.564 0.058 . 1 . . . . 13 GLY N . 25964 1 694 . 3 2 14 14 GLY H H 1 8.190 0.003 . 1 . . . . 14 GLY H . 25964 1 695 . 3 2 14 14 GLY HA2 H 1 3.879 0.004 . 2 . . . . 14 GLY HA2 . 25964 1 696 . 3 2 14 14 GLY HA3 H 1 3.887 0.05 . 2 . . . . 14 GLY HA3 . 25964 1 697 . 3 2 14 14 GLY CA C 13 45.052 0.05 . 1 . . . . 14 GLY CA . 25964 1 698 . 3 2 14 14 GLY N N 15 108.692 0.037 . 1 . . . . 14 GLY N . 25964 1 699 . 3 2 15 15 GLU H H 1 8.190 0.005 . 1 . . . . 15 GLU H . 25964 1 700 . 3 2 15 15 GLU HA H 1 4.358 0.003 . 1 . . . . 15 GLU HA . 25964 1 701 . 3 2 15 15 GLU HB2 H 1 1.970 0.005 . 2 . . . . 15 GLU HB2 . 25964 1 702 . 3 2 15 15 GLU HB3 H 1 1.860 0.002 . 2 . . . . 15 GLU HB3 . 25964 1 703 . 3 2 15 15 GLU HG2 H 1 2.184 0.003 . 2 . . . . 15 GLU HG2 . 25964 1 704 . 3 2 15 15 GLU HG3 H 1 2.101 0.005 . 2 . . . . 15 GLU HG3 . 25964 1 705 . 3 2 15 15 GLU CA C 13 55.723 0.049 . 1 . . . . 15 GLU CA . 25964 1 706 . 3 2 15 15 GLU CB C 13 31.173 0.012 . 1 . . . . 15 GLU CB . 25964 1 707 . 3 2 15 15 GLU CG C 13 36.080 0.05 . 1 . . . . 15 GLU CG . 25964 1 708 . 3 2 15 15 GLU N N 15 120.217 0.064 . 1 . . . . 15 GLU N . 25964 1 709 . 3 2 16 16 ILE H H 1 8.215 0.006 . 1 . . . . 16 ILE H . 25964 1 710 . 3 2 16 16 ILE HA H 1 3.917 0.012 . 1 . . . . 16 ILE HA . 25964 1 711 . 3 2 16 16 ILE HB H 1 1.300 0.006 . 1 . . . . 16 ILE HB . 25964 1 712 . 3 2 16 16 ILE HG12 H 1 0.545 0.02 . 1 . . . . 16 ILE HG12 . 25964 1 713 . 3 2 16 16 ILE HG21 H 1 -0.082 0.008 . 1 . . . . 16 ILE HG21 . 25964 1 714 . 3 2 16 16 ILE HG22 H 1 -0.082 0.008 . 1 . . . . 16 ILE HG22 . 25964 1 715 . 3 2 16 16 ILE HG23 H 1 -0.082 0.008 . 1 . . . . 16 ILE HG23 . 25964 1 716 . 3 2 16 16 ILE HD11 H 1 0.767 0.004 . 1 . . . . 16 ILE HD11 . 25964 1 717 . 3 2 16 16 ILE HD12 H 1 0.767 0.004 . 1 . . . . 16 ILE HD12 . 25964 1 718 . 3 2 16 16 ILE HD13 H 1 0.767 0.004 . 1 . . . . 16 ILE HD13 . 25964 1 719 . 3 2 16 16 ILE CA C 13 62.048 0.023 . 1 . . . . 16 ILE CA . 25964 1 720 . 3 2 16 16 ILE CB C 13 39.189 0.05 . 1 . . . . 16 ILE CB . 25964 1 721 . 3 2 16 16 ILE CG1 C 13 28.843 0.033 . 1 . . . . 16 ILE CG1 . 25964 1 722 . 3 2 16 16 ILE CG2 C 13 16.731 0.023 . 1 . . . . 16 ILE CG2 . 25964 1 723 . 3 2 16 16 ILE CD1 C 13 13.819 0.029 . 1 . . . . 16 ILE CD1 . 25964 1 724 . 3 2 16 16 ILE N N 15 123.922 0.087 . 1 . . . . 16 ILE N . 25964 1 725 . 3 2 17 17 VAL H H 1 8.805 0.008 . 1 . . . . 17 VAL H . 25964 1 726 . 3 2 17 17 VAL HA H 1 4.073 0.014 . 1 . . . . 17 VAL HA . 25964 1 727 . 3 2 17 17 VAL HB H 1 1.965 0.006 . 1 . . . . 17 VAL HB . 25964 1 728 . 3 2 17 17 VAL HG11 H 1 0.748 0.004 . 2 . . . . 17 VAL HG11 . 25964 1 729 . 3 2 17 17 VAL HG12 H 1 0.748 0.004 . 2 . . . . 17 VAL HG12 . 25964 1 730 . 3 2 17 17 VAL HG13 H 1 0.748 0.004 . 2 . . . . 17 VAL HG13 . 25964 1 731 . 3 2 17 17 VAL HG21 H 1 0.859 0.012 . 2 . . . . 17 VAL HG21 . 25964 1 732 . 3 2 17 17 VAL HG22 H 1 0.859 0.012 . 2 . . . . 17 VAL HG22 . 25964 1 733 . 3 2 17 17 VAL HG23 H 1 0.859 0.012 . 2 . . . . 17 VAL HG23 . 25964 1 734 . 3 2 17 17 VAL CA C 13 61.130 0.015 . 1 . . . . 17 VAL CA . 25964 1 735 . 3 2 17 17 VAL CB C 13 33.048 0.065 . 1 . . . . 17 VAL CB . 25964 1 736 . 3 2 17 17 VAL CG1 C 13 21.004 0.035 . 2 . . . . 17 VAL CG1 . 25964 1 737 . 3 2 17 17 VAL CG2 C 13 20.719 0.15 . 2 . . . . 17 VAL CG2 . 25964 1 738 . 3 2 17 17 VAL N N 15 129.973 0.157 . 1 . . . . 17 VAL N . 25964 1 739 . 3 2 18 18 TYR H H 1 8.372 0.007 . 1 . . . . 18 TYR H . 25964 1 740 . 3 2 18 18 TYR HA H 1 4.830 0.003 . 1 . . . . 18 TYR HA . 25964 1 741 . 3 2 18 18 TYR HB2 H 1 3.001 0.003 . 2 . . . . 18 TYR HB2 . 25964 1 742 . 3 2 18 18 TYR HB3 H 1 2.647 0.002 . 2 . . . . 18 TYR HB3 . 25964 1 743 . 3 2 18 18 TYR HD1 H 1 6.828 0.008 . 1 . . . . 18 TYR HD1 . 25964 1 744 . 3 2 18 18 TYR HD2 H 1 6.828 0.008 . 1 . . . . 18 TYR HD2 . 25964 1 745 . 3 2 18 18 TYR HE1 H 1 6.412 0.006 . 1 . . . . 18 TYR HE1 . 25964 1 746 . 3 2 18 18 TYR HE2 H 1 6.412 0.006 . 1 . . . . 18 TYR HE2 . 25964 1 747 . 3 2 18 18 TYR CA C 13 59.093 0.029 . 1 . . . . 18 TYR CA . 25964 1 748 . 3 2 18 18 TYR CB C 13 39.695 0.046 . 1 . . . . 18 TYR CB . 25964 1 749 . 3 2 18 18 TYR N N 15 125.361 0.099 . 1 . . . . 18 TYR N . 25964 1 750 . 3 2 19 19 LEU H H 1 8.353 0.006 . 1 . . . . 19 LEU H . 25964 1 751 . 3 2 19 19 LEU HA H 1 4.846 0.007 . 1 . . . . 19 LEU HA . 25964 1 752 . 3 2 19 19 LEU HB2 H 1 1.527 0.001 . 1 . . . . 19 LEU HB2 . 25964 1 753 . 3 2 19 19 LEU HB3 H 1 1.527 0.001 . 1 . . . . 19 LEU HB3 . 25964 1 754 . 3 2 19 19 LEU HG H 1 1.384 0.006 . 1 . . . . 19 LEU HG . 25964 1 755 . 3 2 19 19 LEU HD11 H 1 0.525 0.005 . 2 . . . . 19 LEU HD11 . 25964 1 756 . 3 2 19 19 LEU HD12 H 1 0.525 0.005 . 2 . . . . 19 LEU HD12 . 25964 1 757 . 3 2 19 19 LEU HD13 H 1 0.525 0.005 . 2 . . . . 19 LEU HD13 . 25964 1 758 . 3 2 19 19 LEU HD21 H 1 0.538 0.012 . 2 . . . . 19 LEU HD21 . 25964 1 759 . 3 2 19 19 LEU HD22 H 1 0.538 0.012 . 2 . . . . 19 LEU HD22 . 25964 1 760 . 3 2 19 19 LEU HD23 H 1 0.538 0.012 . 2 . . . . 19 LEU HD23 . 25964 1 761 . 3 2 19 19 LEU CA C 13 52.007 0.024 . 1 . . . . 19 LEU CA . 25964 1 762 . 3 2 19 19 LEU CB C 13 42.961 0.018 . 1 . . . . 19 LEU CB . 25964 1 763 . 3 2 19 19 LEU CG C 13 25.656 0.054 . 1 . . . . 19 LEU CG . 25964 1 764 . 3 2 19 19 LEU CD1 C 13 22.998 0.05 . 2 . . . . 19 LEU CD1 . 25964 1 765 . 3 2 19 19 LEU CD2 C 13 25.619 0.001 . 2 . . . . 19 LEU CD2 . 25964 1 766 . 3 2 19 19 LEU N N 15 119.671 0.039 . 1 . . . . 19 LEU N . 25964 1 767 . 3 2 20 20 PRO CA C 13 64.752 0.05 . 1 . . . . 20 PRO CA . 25964 1 768 . 3 2 21 21 ASN H H 1 8.891 0.003 . 1 . . . . 21 ASN H . 25964 1 769 . 3 2 21 21 ASN CA C 13 52.619 0.019 . 1 . . . . 21 ASN CA . 25964 1 770 . 3 2 21 21 ASN CB C 13 38.685 0.081 . 1 . . . . 21 ASN CB . 25964 1 771 . 3 2 21 21 ASN N N 15 113.558 0.051 . 1 . . . . 21 ASN N . 25964 1 772 . 3 2 22 22 LEU H H 1 6.989 0.009 . 1 . . . . 22 LEU H . 25964 1 773 . 3 2 22 22 LEU HA H 1 4.379 0.017 . 1 . . . . 22 LEU HA . 25964 1 774 . 3 2 22 22 LEU HB2 H 1 1.658 0.001 . 2 . . . . 22 LEU HB2 . 25964 1 775 . 3 2 22 22 LEU HB3 H 1 1.658 0.001 . 2 . . . . 22 LEU HB3 . 25964 1 776 . 3 2 22 22 LEU HG H 1 1.667 0.011 . 1 . . . . 22 LEU HG . 25964 1 777 . 3 2 22 22 LEU HD11 H 1 0.789 0.006 . 2 . . . . 22 LEU HD11 . 25964 1 778 . 3 2 22 22 LEU HD12 H 1 0.789 0.006 . 2 . . . . 22 LEU HD12 . 25964 1 779 . 3 2 22 22 LEU HD13 H 1 0.789 0.006 . 2 . . . . 22 LEU HD13 . 25964 1 780 . 3 2 22 22 LEU HD21 H 1 0.677 0.001 . 2 . . . . 22 LEU HD21 . 25964 1 781 . 3 2 22 22 LEU HD22 H 1 0.677 0.001 . 2 . . . . 22 LEU HD22 . 25964 1 782 . 3 2 22 22 LEU HD23 H 1 0.677 0.001 . 2 . . . . 22 LEU HD23 . 25964 1 783 . 3 2 22 22 LEU CA C 13 54.557 0.08 . 1 . . . . 22 LEU CA . 25964 1 784 . 3 2 22 22 LEU CB C 13 42.025 0.021 . 1 . . . . 22 LEU CB . 25964 1 785 . 3 2 22 22 LEU CG C 13 28.139 0.047 . 1 . . . . 22 LEU CG . 25964 1 786 . 3 2 22 22 LEU CD1 C 13 25.410 0.05 . 2 . . . . 22 LEU CD1 . 25964 1 787 . 3 2 22 22 LEU CD2 C 13 22.848 0.028 . 2 . . . . 22 LEU CD2 . 25964 1 788 . 3 2 22 22 LEU N N 15 120.545 0.076 . 1 . . . . 22 LEU N . 25964 1 789 . 3 2 23 23 ASN H H 1 8.826 0.008 . 1 . . . . 23 ASN H . 25964 1 790 . 3 2 23 23 ASN CA C 13 51.382 0.02 . 1 . . . . 23 ASN CA . 25964 1 791 . 3 2 23 23 ASN CB C 13 36.785 0.05 . 1 . . . . 23 ASN CB . 25964 1 792 . 3 2 23 23 ASN N N 15 121.659 0.077 . 1 . . . . 23 ASN N . 25964 1 793 . 3 2 24 24 PRO HA H 1 3.695 0.005 . 1 . . . . 24 PRO HA . 25964 1 794 . 3 2 24 24 PRO HB2 H 1 1.134 0.015 . 2 . . . . 24 PRO HB2 . 25964 1 795 . 3 2 24 24 PRO HB3 H 1 1.107 0.017 . 2 . . . . 24 PRO HB3 . 25964 1 796 . 3 2 24 24 PRO HG2 H 1 1.281 0.002 . 2 . . . . 24 PRO HG2 . 25964 1 797 . 3 2 24 24 PRO HG3 H 1 1.535 0.007 . 2 . . . . 24 PRO HG3 . 25964 1 798 . 3 2 24 24 PRO HD2 H 1 3.482 0.05 . 2 . . . . 24 PRO HD2 . 25964 1 799 . 3 2 24 24 PRO HD3 H 1 3.268 0.014 . 2 . . . . 24 PRO HD3 . 25964 1 800 . 3 2 24 24 PRO CA C 13 66.160 0.027 . 1 . . . . 24 PRO CA . 25964 1 801 . 3 2 24 24 PRO CB C 13 31.512 0.071 . 1 . . . . 24 PRO CB . 25964 1 802 . 3 2 24 24 PRO CG C 13 27.760 0.005 . 1 . . . . 24 PRO CG . 25964 1 803 . 3 2 24 24 PRO CD C 13 49.512 0.023 . 1 . . . . 24 PRO CD . 25964 1 804 . 3 2 25 25 ASP H H 1 7.860 0.003 . 1 . . . . 25 ASP H . 25964 1 805 . 3 2 25 25 ASP N N 15 116.663 0.013 . 1 . . . . 25 ASP N . 25964 1 806 . 3 2 27 27 LEU H H 1 8.501 0.004 . 1 . . . . 27 LEU H . 25964 1 807 . 3 2 27 27 LEU HA H 1 4.029 0.05 . 1 . . . . 27 LEU HA . 25964 1 808 . 3 2 27 27 LEU HB2 H 1 1.662 0.009 . 2 . . . . 27 LEU HB2 . 25964 1 809 . 3 2 27 27 LEU HB3 H 1 1.195 0.011 . 2 . . . . 27 LEU HB3 . 25964 1 810 . 3 2 27 27 LEU HG H 1 1.523 0.005 . 1 . . . . 27 LEU HG . 25964 1 811 . 3 2 27 27 LEU HD11 H 1 0.808 0.005 . 2 . . . . 27 LEU HD11 . 25964 1 812 . 3 2 27 27 LEU HD12 H 1 0.808 0.005 . 2 . . . . 27 LEU HD12 . 25964 1 813 . 3 2 27 27 LEU HD13 H 1 0.808 0.005 . 2 . . . . 27 LEU HD13 . 25964 1 814 . 3 2 27 27 LEU HD21 H 1 0.846 0.007 . 2 . . . . 27 LEU HD21 . 25964 1 815 . 3 2 27 27 LEU HD22 H 1 0.846 0.007 . 2 . . . . 27 LEU HD22 . 25964 1 816 . 3 2 27 27 LEU HD23 H 1 0.846 0.007 . 2 . . . . 27 LEU HD23 . 25964 1 817 . 3 2 27 27 LEU CA C 13 58.206 0.05 . 1 . . . . 27 LEU CA . 25964 1 818 . 3 2 27 27 LEU CB C 13 42.288 0.017 . 1 . . . . 27 LEU CB . 25964 1 819 . 3 2 27 27 LEU CG C 13 27.154 0.034 . 1 . . . . 27 LEU CG . 25964 1 820 . 3 2 27 27 LEU CD1 C 13 25.493 0.039 . 2 . . . . 27 LEU CD1 . 25964 1 821 . 3 2 27 27 LEU CD2 C 13 25.057 0.013 . 2 . . . . 27 LEU CD2 . 25964 1 822 . 3 2 27 27 LEU N N 15 121.194 0.037 . 1 . . . . 27 LEU N . 25964 1 823 . 3 2 29 29 ALA H H 1 8.033 0.005 . 1 . . . . 29 ALA H . 25964 1 824 . 3 2 29 29 ALA HA H 1 4.224 0.003 . 1 . . . . 29 ALA HA . 25964 1 825 . 3 2 29 29 ALA HB1 H 1 1.476 0.001 . 1 . . . . 29 ALA HB1 . 25964 1 826 . 3 2 29 29 ALA HB2 H 1 1.476 0.001 . 1 . . . . 29 ALA HB2 . 25964 1 827 . 3 2 29 29 ALA HB3 H 1 1.476 0.001 . 1 . . . . 29 ALA HB3 . 25964 1 828 . 3 2 29 29 ALA CA C 13 55.500 0.017 . 1 . . . . 29 ALA CA . 25964 1 829 . 3 2 29 29 ALA CB C 13 17.764 0.071 . 1 . . . . 29 ALA CB . 25964 1 830 . 3 2 29 29 ALA N N 15 122.061 0.033 . 1 . . . . 29 ALA N . 25964 1 831 . 3 2 30 30 PHE H H 1 7.816 0.006 . 1 . . . . 30 PHE H . 25964 1 832 . 3 2 30 30 PHE HA H 1 4.524 0.002 . 1 . . . . 30 PHE HA . 25964 1 833 . 3 2 30 30 PHE HB2 H 1 3.222 0.001 . 1 . . . . 30 PHE HB2 . 25964 1 834 . 3 2 30 30 PHE HB3 H 1 3.222 0.001 . 1 . . . . 30 PHE HB3 . 25964 1 835 . 3 2 30 30 PHE HD1 H 1 7.194 0.05 . 1 . . . . 30 PHE HD1 . 25964 1 836 . 3 2 30 30 PHE HD2 H 1 7.194 0.05 . 1 . . . . 30 PHE HD2 . 25964 1 837 . 3 2 30 30 PHE CA C 13 60.936 0.033 . 1 . . . . 30 PHE CA . 25964 1 838 . 3 2 30 30 PHE CB C 13 38.532 0.039 . 1 . . . . 30 PHE CB . 25964 1 839 . 3 2 30 30 PHE N N 15 120.013 0.075 . 1 . . . . 30 PHE N . 25964 1 840 . 3 2 31 31 ILE H H 1 8.369 0.004 . 1 . . . . 31 ILE H . 25964 1 841 . 3 2 31 31 ILE HA H 1 3.245 0.006 . 1 . . . . 31 ILE HA . 25964 1 842 . 3 2 31 31 ILE HB H 1 1.747 0.008 . 1 . . . . 31 ILE HB . 25964 1 843 . 3 2 31 31 ILE HG12 H 1 1.364 0.01 . 2 . . . . 31 ILE HG12 . 25964 1 844 . 3 2 31 31 ILE HG13 H 1 0.255 0.022 . 2 . . . . 31 ILE HG13 . 25964 1 845 . 3 2 31 31 ILE HG21 H 1 0.533 0.006 . 1 . . . . 31 ILE HG21 . 25964 1 846 . 3 2 31 31 ILE HG22 H 1 0.533 0.006 . 1 . . . . 31 ILE HG22 . 25964 1 847 . 3 2 31 31 ILE HG23 H 1 0.533 0.006 . 1 . . . . 31 ILE HG23 . 25964 1 848 . 3 2 31 31 ILE HD11 H 1 0.262 0.006 . 1 . . . . 31 ILE HD11 . 25964 1 849 . 3 2 31 31 ILE HD12 H 1 0.262 0.006 . 1 . . . . 31 ILE HD12 . 25964 1 850 . 3 2 31 31 ILE HD13 H 1 0.262 0.006 . 1 . . . . 31 ILE HD13 . 25964 1 851 . 3 2 31 31 ILE CA C 13 65.109 0.054 . 1 . . . . 31 ILE CA . 25964 1 852 . 3 2 31 31 ILE CB C 13 38.004 0.098 . 1 . . . . 31 ILE CB . 25964 1 853 . 3 2 31 31 ILE CG1 C 13 28.968 0.06 . 1 . . . . 31 ILE CG1 . 25964 1 854 . 3 2 31 31 ILE CG2 C 13 17.909 0.023 . 1 . . . . 31 ILE CG2 . 25964 1 855 . 3 2 31 31 ILE CD1 C 13 14.320 0.12 . 1 . . . . 31 ILE CD1 . 25964 1 856 . 3 2 31 31 ILE N N 15 120.226 0.06 . 1 . . . . 31 ILE N . 25964 1 857 . 3 2 32 32 HIS H H 1 8.277 0.006 . 1 . . . . 32 HIS H . 25964 1 858 . 3 2 32 32 HIS CA C 13 60.926 0.018 . 1 . . . . 32 HIS CA . 25964 1 859 . 3 2 32 32 HIS CB C 13 28.791 0.082 . 1 . . . . 32 HIS CB . 25964 1 860 . 3 2 32 32 HIS N N 15 117.219 0.041 . 1 . . . . 32 HIS N . 25964 1 861 . 3 2 33 33 SER H H 1 8.502 0.004 . 1 . . . . 33 SER H . 25964 1 862 . 3 2 33 33 SER CA C 13 62.823 0.027 . 1 . . . . 33 SER CA . 25964 1 863 . 3 2 33 33 SER N N 15 116.942 0.06 . 1 . . . . 33 SER N . 25964 1 864 . 3 2 34 34 ILE H H 1 7.996 0.007 . 1 . . . . 34 ILE H . 25964 1 865 . 3 2 34 34 ILE HA H 1 3.632 0.008 . 1 . . . . 34 ILE HA . 25964 1 866 . 3 2 34 34 ILE HB H 1 1.859 0.008 . 1 . . . . 34 ILE HB . 25964 1 867 . 3 2 34 34 ILE HG12 H 1 1.055 0.008 . 2 . . . . 34 ILE HG12 . 25964 1 868 . 3 2 34 34 ILE HG13 H 1 1.286 0.007 . 2 . . . . 34 ILE HG13 . 25964 1 869 . 3 2 34 34 ILE HG21 H 1 0.784 0.004 . 1 . . . . 34 ILE HG21 . 25964 1 870 . 3 2 34 34 ILE HG22 H 1 0.784 0.004 . 1 . . . . 34 ILE HG22 . 25964 1 871 . 3 2 34 34 ILE HG23 H 1 0.784 0.004 . 1 . . . . 34 ILE HG23 . 25964 1 872 . 3 2 34 34 ILE HD11 H 1 0.656 0.005 . 1 . . . . 34 ILE HD11 . 25964 1 873 . 3 2 34 34 ILE HD12 H 1 0.656 0.005 . 1 . . . . 34 ILE HD12 . 25964 1 874 . 3 2 34 34 ILE HD13 H 1 0.656 0.005 . 1 . . . . 34 ILE HD13 . 25964 1 875 . 3 2 34 34 ILE CA C 13 63.578 0.063 . 1 . . . . 34 ILE CA . 25964 1 876 . 3 2 34 34 ILE CB C 13 37.218 0.096 . 1 . . . . 34 ILE CB . 25964 1 877 . 3 2 34 34 ILE CG1 C 13 28.625 0.028 . 1 . . . . 34 ILE CG1 . 25964 1 878 . 3 2 34 34 ILE CG2 C 13 17.697 0.021 . 1 . . . . 34 ILE CG2 . 25964 1 879 . 3 2 34 34 ILE CD1 C 13 12.966 0.034 . 1 . . . . 34 ILE CD1 . 25964 1 880 . 3 2 34 34 ILE N N 15 120.745 0.073 . 1 . . . . 34 ILE N . 25964 1 881 . 3 2 35 35 HIS H H 1 7.454 0.007 . 1 . . . . 35 HIS H . 25964 1 882 . 3 2 35 35 HIS HA H 1 4.170 0.004 . 1 . . . . 35 HIS HA . 25964 1 883 . 3 2 35 35 HIS HB2 H 1 3.250 0.009 . 2 . . . . 35 HIS HB2 . 25964 1 884 . 3 2 35 35 HIS HB3 H 1 3.338 0.006 . 2 . . . . 35 HIS HB3 . 25964 1 885 . 3 2 35 35 HIS CA C 13 59.550 0.035 . 1 . . . . 35 HIS CA . 25964 1 886 . 3 2 35 35 HIS CB C 13 29.325 0.014 . 1 . . . . 35 HIS CB . 25964 1 887 . 3 2 35 35 HIS N N 15 117.919 0.055 . 1 . . . . 35 HIS N . 25964 1 888 . 3 2 36 36 ASP H H 1 8.376 0.005 . 1 . . . . 36 ASP H . 25964 1 889 . 3 2 36 36 ASP CA C 13 56.414 0.012 . 1 . . . . 36 ASP CA . 25964 1 890 . 3 2 36 36 ASP CB C 13 40.729 0.05 . 1 . . . . 36 ASP CB . 25964 1 891 . 3 2 36 36 ASP N N 15 117.968 0.053 . 1 . . . . 36 ASP N . 25964 1 892 . 3 2 37 37 ASP H H 1 7.458 0.004 . 1 . . . . 37 ASP H . 25964 1 893 . 3 2 37 37 ASP CA C 13 51.598 0.013 . 1 . . . . 37 ASP CA . 25964 1 894 . 3 2 37 37 ASP CB C 13 40.401 0.05 . 1 . . . . 37 ASP CB . 25964 1 895 . 3 2 37 37 ASP N N 15 115.399 0.034 . 1 . . . . 37 ASP N . 25964 1 896 . 3 2 38 38 PRO CA C 13 64.522 0.05 . 1 . . . . 38 PRO CA . 25964 1 897 . 3 2 39 39 SER H H 1 8.534 0.003 . 1 . . . . 39 SER H . 25964 1 898 . 3 2 39 39 SER CA C 13 61.602 0.064 . 1 . . . . 39 SER CA . 25964 1 899 . 3 2 39 39 SER CB C 13 62.460 0.048 . 1 . . . . 39 SER CB . 25964 1 900 . 3 2 39 39 SER N N 15 115.483 0.031 . 1 . . . . 39 SER N . 25964 1 901 . 3 2 40 40 GLN H H 1 7.854 0.003 . 1 . . . . 40 GLN H . 25964 1 902 . 3 2 40 40 GLN CA C 13 54.806 0.021 . 1 . . . . 40 GLN CA . 25964 1 903 . 3 2 40 40 GLN CB C 13 28.309 0.009 . 1 . . . . 40 GLN CB . 25964 1 904 . 3 2 40 40 GLN N N 15 120.498 0.065 . 1 . . . . 40 GLN N . 25964 1 905 . 3 2 41 41 SER H H 1 7.835 0.004 . 1 . . . . 41 SER H . 25964 1 906 . 3 2 41 41 SER CA C 13 64.317 0.047 . 1 . . . . 41 SER CA . 25964 1 907 . 3 2 41 41 SER N N 15 115.901 0.056 . 1 . . . . 41 SER N . 25964 1 908 . 3 2 42 42 ALA H H 1 8.819 0.006 . 1 . . . . 42 ALA H . 25964 1 909 . 3 2 42 42 ALA HA H 1 4.030 0.011 . 1 . . . . 42 ALA HA . 25964 1 910 . 3 2 42 42 ALA HB1 H 1 1.394 0.008 . 1 . . . . 42 ALA HB1 . 25964 1 911 . 3 2 42 42 ALA HB2 H 1 1.394 0.008 . 1 . . . . 42 ALA HB2 . 25964 1 912 . 3 2 42 42 ALA HB3 H 1 1.394 0.008 . 1 . . . . 42 ALA HB3 . 25964 1 913 . 3 2 42 42 ALA CA C 13 55.897 0.019 . 1 . . . . 42 ALA CA . 25964 1 914 . 3 2 42 42 ALA CB C 13 17.900 0.035 . 1 . . . . 42 ALA CB . 25964 1 915 . 3 2 42 42 ALA N N 15 122.402 0.083 . 1 . . . . 42 ALA N . 25964 1 916 . 3 2 43 43 ASN H H 1 8.033 0.004 . 1 . . . . 43 ASN H . 25964 1 917 . 3 2 43 43 ASN CA C 13 55.957 0.032 . 1 . . . . 43 ASN CA . 25964 1 918 . 3 2 43 43 ASN CB C 13 38.044 0.057 . 1 . . . . 43 ASN CB . 25964 1 919 . 3 2 43 43 ASN N N 15 118.830 0.04 . 1 . . . . 43 ASN N . 25964 1 920 . 3 2 44 44 LEU H H 1 8.885 0.006 . 1 . . . . 44 LEU H . 25964 1 921 . 3 2 44 44 LEU HB2 H 1 1.420 0.018 . 2 . . . . 44 LEU HB2 . 25964 1 922 . 3 2 44 44 LEU HB3 H 1 1.950 0.008 . 2 . . . . 44 LEU HB3 . 25964 1 923 . 3 2 44 44 LEU HG H 1 1.864 0.007 . 1 . . . . 44 LEU HG . 25964 1 924 . 3 2 44 44 LEU HD11 H 1 1.001 0.008 . 2 . . . . 44 LEU HD11 . 25964 1 925 . 3 2 44 44 LEU HD12 H 1 1.001 0.008 . 2 . . . . 44 LEU HD12 . 25964 1 926 . 3 2 44 44 LEU HD13 H 1 1.001 0.008 . 2 . . . . 44 LEU HD13 . 25964 1 927 . 3 2 44 44 LEU HD21 H 1 0.733 0.008 . 2 . . . . 44 LEU HD21 . 25964 1 928 . 3 2 44 44 LEU HD22 H 1 0.733 0.008 . 2 . . . . 44 LEU HD22 . 25964 1 929 . 3 2 44 44 LEU HD23 H 1 0.733 0.008 . 2 . . . . 44 LEU HD23 . 25964 1 930 . 3 2 44 44 LEU CA C 13 57.937 0.022 . 1 . . . . 44 LEU CA . 25964 1 931 . 3 2 44 44 LEU CB C 13 42.259 0.064 . 1 . . . . 44 LEU CB . 25964 1 932 . 3 2 44 44 LEU CG C 13 27.346 0.05 . 1 . . . . 44 LEU CG . 25964 1 933 . 3 2 44 44 LEU CD1 C 13 22.798 0.039 . 2 . . . . 44 LEU CD1 . 25964 1 934 . 3 2 44 44 LEU CD2 C 13 26.254 0.014 . 2 . . . . 44 LEU CD2 . 25964 1 935 . 3 2 44 44 LEU N N 15 121.174 0.052 . 1 . . . . 44 LEU N . 25964 1 936 . 3 2 45 45 LEU H H 1 8.727 0.005 . 1 . . . . 45 LEU H . 25964 1 937 . 3 2 45 45 LEU HA H 1 4.167 0.006 . 1 . . . . 45 LEU HA . 25964 1 938 . 3 2 45 45 LEU HB2 H 1 1.966 0.007 . 2 . . . . 45 LEU HB2 . 25964 1 939 . 3 2 45 45 LEU HB3 H 1 1.539 0.003 . 2 . . . . 45 LEU HB3 . 25964 1 940 . 3 2 45 45 LEU HG H 1 1.675 0.005 . 1 . . . . 45 LEU HG . 25964 1 941 . 3 2 45 45 LEU HD11 H 1 0.809 0.006 . 2 . . . . 45 LEU HD11 . 25964 1 942 . 3 2 45 45 LEU HD12 H 1 0.809 0.006 . 2 . . . . 45 LEU HD12 . 25964 1 943 . 3 2 45 45 LEU HD13 H 1 0.809 0.006 . 2 . . . . 45 LEU HD13 . 25964 1 944 . 3 2 45 45 LEU HD21 H 1 0.830 0.002 . 2 . . . . 45 LEU HD21 . 25964 1 945 . 3 2 45 45 LEU HD22 H 1 0.830 0.002 . 2 . . . . 45 LEU HD22 . 25964 1 946 . 3 2 45 45 LEU HD23 H 1 0.830 0.002 . 2 . . . . 45 LEU HD23 . 25964 1 947 . 3 2 45 45 LEU CA C 13 57.815 0.049 . 1 . . . . 45 LEU CA . 25964 1 948 . 3 2 45 45 LEU CB C 13 41.852 0.053 . 1 . . . . 45 LEU CB . 25964 1 949 . 3 2 45 45 LEU CG C 13 27.178 0.042 . 1 . . . . 45 LEU CG . 25964 1 950 . 3 2 45 45 LEU CD1 C 13 25.797 0.02 . 2 . . . . 45 LEU CD1 . 25964 1 951 . 3 2 45 45 LEU CD2 C 13 23.870 0.026 . 2 . . . . 45 LEU CD2 . 25964 1 952 . 3 2 45 45 LEU N N 15 121.566 0.083 . 1 . . . . 45 LEU N . 25964 1 953 . 3 2 46 46 ALA H H 1 7.852 0.004 . 1 . . . . 46 ALA H . 25964 1 954 . 3 2 46 46 ALA CA C 13 55.377 0.006 . 1 . . . . 46 ALA CA . 25964 1 955 . 3 2 46 46 ALA CB C 13 17.652 0.05 . 1 . . . . 46 ALA CB . 25964 1 956 . 3 2 46 46 ALA N N 15 121.725 0.08 . 1 . . . . 46 ALA N . 25964 1 957 . 3 2 47 47 GLU H H 1 8.097 0.003 . 1 . . . . 47 GLU H . 25964 1 958 . 3 2 47 47 GLU CA C 13 59.037 0.001 . 1 . . . . 47 GLU CA . 25964 1 959 . 3 2 47 47 GLU CB C 13 29.481 0.007 . 1 . . . . 47 GLU CB . 25964 1 960 . 3 2 47 47 GLU N N 15 118.848 0.043 . 1 . . . . 47 GLU N . 25964 1 961 . 3 2 48 48 ALA H H 1 8.155 0.004 . 1 . . . . 48 ALA H . 25964 1 962 . 3 2 48 48 ALA HA H 1 3.993 0.013 . 1 . . . . 48 ALA HA . 25964 1 963 . 3 2 48 48 ALA HB1 H 1 0.786 0.005 . 1 . . . . 48 ALA HB1 . 25964 1 964 . 3 2 48 48 ALA HB2 H 1 0.786 0.005 . 1 . . . . 48 ALA HB2 . 25964 1 965 . 3 2 48 48 ALA HB3 H 1 0.786 0.005 . 1 . . . . 48 ALA HB3 . 25964 1 966 . 3 2 48 48 ALA CA C 13 54.992 0.025 . 1 . . . . 48 ALA CA . 25964 1 967 . 3 2 48 48 ALA CB C 13 16.801 0.02 . 1 . . . . 48 ALA CB . 25964 1 968 . 3 2 48 48 ALA N N 15 125.024 0.015 . 1 . . . . 48 ALA N . 25964 1 969 . 3 2 49 49 LYS H H 1 8.458 0.006 . 1 . . . . 49 LYS H . 25964 1 970 . 3 2 49 49 LYS HA H 1 3.671 0.005 . 1 . . . . 49 LYS HA . 25964 1 971 . 3 2 49 49 LYS HB2 H 1 2.008 0.007 . 2 . . . . 49 LYS HB2 . 25964 1 972 . 3 2 49 49 LYS HB3 H 1 1.676 0.005 . 2 . . . . 49 LYS HB3 . 25964 1 973 . 3 2 49 49 LYS HG2 H 1 1.455 0.009 . 2 . . . . 49 LYS HG2 . 25964 1 974 . 3 2 49 49 LYS HG3 H 1 1.455 0.009 . 2 . . . . 49 LYS HG3 . 25964 1 975 . 3 2 49 49 LYS HD2 H 1 1.607 0.005 . 2 . . . . 49 LYS HD2 . 25964 1 976 . 3 2 49 49 LYS HD3 H 1 1.742 0.004 . 2 . . . . 49 LYS HD3 . 25964 1 977 . 3 2 49 49 LYS HE2 H 1 3.059 0.022 . 2 . . . . 49 LYS HE2 . 25964 1 978 . 3 2 49 49 LYS HE3 H 1 3.033 0.016 . 2 . . . . 49 LYS HE3 . 25964 1 979 . 3 2 49 49 LYS CA C 13 58.796 0.05 . 1 . . . . 49 LYS CA . 25964 1 980 . 3 2 49 49 LYS CB C 13 32.153 0.034 . 1 . . . . 49 LYS CB . 25964 1 981 . 3 2 49 49 LYS CG C 13 25.093 0.024 . 1 . . . . 49 LYS CG . 25964 1 982 . 3 2 49 49 LYS CD C 13 29.331 0.109 . 1 . . . . 49 LYS CD . 25964 1 983 . 3 2 49 49 LYS CE C 13 42.183 0.002 . 1 . . . . 49 LYS CE . 25964 1 984 . 3 2 49 49 LYS N N 15 119.579 0.055 . 1 . . . . 49 LYS N . 25964 1 985 . 3 2 50 50 LYS H H 1 7.739 0.005 . 1 . . . . 50 LYS H . 25964 1 986 . 3 2 50 50 LYS CA C 13 59.801 0.05 . 1 . . . . 50 LYS CA . 25964 1 987 . 3 2 50 50 LYS CB C 13 32.380 0.022 . 1 . . . . 50 LYS CB . 25964 1 988 . 3 2 50 50 LYS N N 15 120.216 0.064 . 1 . . . . 50 LYS N . 25964 1 989 . 3 2 51 51 LEU H H 1 7.912 0.007 . 1 . . . . 51 LEU H . 25964 1 990 . 3 2 51 51 LEU HA H 1 4.119 0.05 . 1 . . . . 51 LEU HA . 25964 1 991 . 3 2 51 51 LEU HB2 H 1 1.528 0.005 . 2 . . . . 51 LEU HB2 . 25964 1 992 . 3 2 51 51 LEU HB3 H 1 1.867 0.005 . 2 . . . . 51 LEU HB3 . 25964 1 993 . 3 2 51 51 LEU HG H 1 1.327 0.006 . 1 . . . . 51 LEU HG . 25964 1 994 . 3 2 51 51 LEU HD11 H 1 0.846 0.05 . 2 . . . . 51 LEU HD11 . 25964 1 995 . 3 2 51 51 LEU HD12 H 1 0.846 0.05 . 2 . . . . 51 LEU HD12 . 25964 1 996 . 3 2 51 51 LEU HD13 H 1 0.846 0.05 . 2 . . . . 51 LEU HD13 . 25964 1 997 . 3 2 51 51 LEU HD21 H 1 0.861 0.05 . 2 . . . . 51 LEU HD21 . 25964 1 998 . 3 2 51 51 LEU HD22 H 1 0.861 0.05 . 2 . . . . 51 LEU HD22 . 25964 1 999 . 3 2 51 51 LEU HD23 H 1 0.861 0.05 . 2 . . . . 51 LEU HD23 . 25964 1 1000 . 3 2 51 51 LEU CA C 13 57.630 0.023 . 1 . . . . 51 LEU CA . 25964 1 1001 . 3 2 51 51 LEU CB C 13 41.798 0.039 . 1 . . . . 51 LEU CB . 25964 1 1002 . 3 2 51 51 LEU CG C 13 26.722 0.05 . 1 . . . . 51 LEU CG . 25964 1 1003 . 3 2 51 51 LEU CD1 C 13 25.341 0.05 . 2 . . . . 51 LEU CD1 . 25964 1 1004 . 3 2 51 51 LEU CD2 C 13 22.967 0.05 . 2 . . . . 51 LEU CD2 . 25964 1 1005 . 3 2 51 51 LEU N N 15 122.928 0.071 . 1 . . . . 51 LEU N . 25964 1 1006 . 3 2 52 52 ASN H H 1 8.606 0.007 . 1 . . . . 52 ASN H . 25964 1 1007 . 3 2 52 52 ASN CA C 13 58.008 0.031 . 1 . . . . 52 ASN CA . 25964 1 1008 . 3 2 52 52 ASN CB C 13 41.190 0.05 . 1 . . . . 52 ASN CB . 25964 1 1009 . 3 2 52 52 ASN N N 15 117.510 0.064 . 1 . . . . 52 ASN N . 25964 1 1010 . 3 2 53 53 ASP H H 1 8.339 0.005 . 1 . . . . 53 ASP H . 25964 1 1011 . 3 2 53 53 ASP CA C 13 56.834 0.006 . 1 . . . . 53 ASP CA . 25964 1 1012 . 3 2 53 53 ASP CB C 13 39.808 0.05 . 1 . . . . 53 ASP CB . 25964 1 1013 . 3 2 53 53 ASP N N 15 119.628 0.056 . 1 . . . . 53 ASP N . 25964 1 1014 . 3 2 54 54 ALA H H 1 8.067 0.004 . 1 . . . . 54 ALA H . 25964 1 1015 . 3 2 54 54 ALA CA C 13 54.137 0.019 . 1 . . . . 54 ALA CA . 25964 1 1016 . 3 2 54 54 ALA CB C 13 18.418 0.039 . 1 . . . . 54 ALA CB . 25964 1 1017 . 3 2 54 54 ALA N N 15 123.292 0.036 . 1 . . . . 54 ALA N . 25964 1 1018 . 3 2 55 55 GLN H H 1 7.460 0.002 . 1 . . . . 55 GLN H . 25964 1 1019 . 3 2 55 55 GLN HA H 1 4.964 0.05 . 1 . . . . 55 GLN HA . 25964 1 1020 . 3 2 55 55 GLN CA C 13 54.955 0.041 . 1 . . . . 55 GLN CA . 25964 1 1021 . 3 2 55 55 GLN CB C 13 28.371 0.054 . 1 . . . . 55 GLN CB . 25964 1 1022 . 3 2 55 55 GLN N N 15 115.268 0.055 . 1 . . . . 55 GLN N . 25964 1 1023 . 3 2 56 56 ALA H H 1 7.156 0.002 . 1 . . . . 56 ALA H . 25964 1 1024 . 3 2 56 56 ALA CA C 13 50.913 0.05 . 1 . . . . 56 ALA CA . 25964 1 1025 . 3 2 56 56 ALA CB C 13 17.863 0.05 . 1 . . . . 56 ALA CB . 25964 1 1026 . 3 2 56 56 ALA N N 15 124.302 0.048 . 1 . . . . 56 ALA N . 25964 1 1027 . 3 2 57 57 PRO CA C 13 62.885 0.008 . 1 . . . . 57 PRO CA . 25964 1 1028 . 3 2 57 57 PRO CB C 13 31.899 0.05 . 1 . . . . 57 PRO CB . 25964 1 1029 . 3 2 58 58 LYS H H 1 8.191 0.003 . 1 . . . . 58 LYS H . 25964 1 1030 . 3 2 58 58 LYS HA H 1 4.250 0.008 . 1 . . . . 58 LYS HA . 25964 1 1031 . 3 2 58 58 LYS CA C 13 55.707 0.007 . 1 . . . . 58 LYS CA . 25964 1 1032 . 3 2 58 58 LYS CB C 13 33.031 0.003 . 1 . . . . 58 LYS CB . 25964 1 1033 . 3 2 58 58 LYS N N 15 122.070 0.082 . 1 . . . . 58 LYS N . 25964 1 1034 . 3 2 59 59 TRP H H 1 7.583 0.002 . 1 . . . . 59 TRP H . 25964 1 1035 . 3 2 59 59 TRP HA H 1 4.516 0.05 . 1 . . . . 59 TRP HA . 25964 1 1036 . 3 2 59 59 TRP HE1 H 1 10.036 0.05 . 1 . . . . 59 TRP HE1 . 25964 1 1037 . 3 2 59 59 TRP CA C 13 58.242 0.002 . 1 . . . . 59 TRP CA . 25964 1 1038 . 3 2 59 59 TRP CB C 13 30.120 0.05 . 1 . . . . 59 TRP CB . 25964 1 1039 . 3 2 59 59 TRP N N 15 126.633 0.12 . 1 . . . . 59 TRP N . 25964 1 1040 . 3 2 59 59 TRP NE1 N 15 128.671 0.05 . 1 . . . . 59 TRP NE1 . 25964 1 stop_ save_