data_50808 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50808 _Entry.Title ; Backbone and sidechain 1H, 13C, and 15N Chemical Shift assignments for nanobody Nb23 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-08 _Entry.Accession_date 2021-03-08 _Entry.Last_release_date 2021-03-08 _Entry.Original_release_date 2021-03-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Nb23 is a llama-derived nanobody raised against DN6b2m for potential inhibition of amyloid-prone b2m mutants. K. Domanska et al., "Atomic structure of a nanobody-trapped domain-swapped dimer of an amyloidogenic b2-microglobulin variant," Proc. Natl. Acad. Sci. U. S. A., vol. 108, no. 4, pp.1314-1319, Jan 2011, doi: 10.1073/pnas.1008560108. ; _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 Mathias Percipalle . . . . 50808 2 Yamanappa Hunashal . . . . 50808 3 Gennaro Esposito . . . . 50808 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50808 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 455 50808 '15N chemical shifts' 121 50808 '1H chemical shifts' 754 50808 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 . . 2021-06-11 . original BMRB . 50808 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50808 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.3390/molecules26123567 _Citation.Full_citation . _Citation.Title ; Structure of Nanobody Nb23 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Molecules _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3567 _Citation.Page_last 3567 _Citation.Year 2021 _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 Mathias Percipalle . . . . 50808 1 2 Yamanappa Hunashal . . . . 50808 1 3 Gennaro Esposito . . . . 50808 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50808 _Assembly.ID 1 _Assembly.Name 'Nb23 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14135 _Assembly.Enzyme_commission_number . _Assembly.Details 'In this study, His(6)-tagged Nb23 was used (overall molecular mass 15065).' _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 Nb23 1 $entity_1 . . yes native no no . . . 50808 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . . . 50808 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50808 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QVQLQESGGGLVQAGGSLRL SCAASGRTFSSYAMAWFRQA PGKEREFVARISGVGTNTYY TDSVKGRVTISRDNAKNTVY LQMNSLKPEDTAVYYCAASI YGYYSDTSYYTRLNNYLYWG QGTQVTVSS ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Nb23 is a llama-derived nanobody raised against DN6b2m for potential inhibition of amyloid-prone b2m mutants. K. Domanska et al., "Atomic structure of a nanobody-trapped domain-swapped dimer of an amyloidogenic b2-microglobulin variant," Proc. Natl. Acad. Sci. U. S. A., vol. 108, no. 4, pp.1314-1319, Jan 2011, doi: 10.1073/pnas.1008560108. ; 50808 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 . GLN . 50808 1 2 . VAL . 50808 1 3 . GLN . 50808 1 4 . LEU . 50808 1 5 . GLN . 50808 1 6 . GLU . 50808 1 7 . SER . 50808 1 8 . GLY . 50808 1 9 . GLY . 50808 1 10 . GLY . 50808 1 11 . LEU . 50808 1 12 . VAL . 50808 1 13 . GLN . 50808 1 14 . ALA . 50808 1 15 . GLY . 50808 1 16 . GLY . 50808 1 17 . SER . 50808 1 18 . LEU . 50808 1 19 . ARG . 50808 1 20 . LEU . 50808 1 21 . SER . 50808 1 22 . CYS . 50808 1 23 . ALA . 50808 1 24 . ALA . 50808 1 25 . SER . 50808 1 26 . GLY . 50808 1 27 . ARG . 50808 1 28 . THR . 50808 1 29 . PHE . 50808 1 30 . SER . 50808 1 31 . SER . 50808 1 32 . TYR . 50808 1 33 . ALA . 50808 1 34 . MET . 50808 1 35 . ALA . 50808 1 36 . TRP . 50808 1 37 . PHE . 50808 1 38 . ARG . 50808 1 39 . GLN . 50808 1 40 . ALA . 50808 1 41 . PRO . 50808 1 42 . GLY . 50808 1 43 . LYS . 50808 1 44 . GLU . 50808 1 45 . ARG . 50808 1 46 . GLU . 50808 1 47 . PHE . 50808 1 48 . VAL . 50808 1 49 . ALA . 50808 1 50 . ARG . 50808 1 51 . ILE . 50808 1 52 . SER . 50808 1 53 . GLY . 50808 1 54 . VAL . 50808 1 55 . GLY . 50808 1 56 . THR . 50808 1 57 . ASN . 50808 1 58 . THR . 50808 1 59 . TYR . 50808 1 60 . TYR . 50808 1 61 . THR . 50808 1 62 . ASP . 50808 1 63 . SER . 50808 1 64 . VAL . 50808 1 65 . LYS . 50808 1 66 . GLY . 50808 1 67 . ARG . 50808 1 68 . VAL . 50808 1 69 . THR . 50808 1 70 . ILE . 50808 1 71 . SER . 50808 1 72 . ARG . 50808 1 73 . ASP . 50808 1 74 . ASN . 50808 1 75 . ALA . 50808 1 76 . LYS . 50808 1 77 . ASN . 50808 1 78 . THR . 50808 1 79 . VAL . 50808 1 80 . TYR . 50808 1 81 . LEU . 50808 1 82 . GLN . 50808 1 83 . MET . 50808 1 84 . ASN . 50808 1 85 . SER . 50808 1 86 . LEU . 50808 1 87 . LYS . 50808 1 88 . PRO . 50808 1 89 . GLU . 50808 1 90 . ASP . 50808 1 91 . THR . 50808 1 92 . ALA . 50808 1 93 . VAL . 50808 1 94 . TYR . 50808 1 95 . TYR . 50808 1 96 . CYS . 50808 1 97 . ALA . 50808 1 98 . ALA . 50808 1 99 . SER . 50808 1 100 . ILE . 50808 1 101 . TYR . 50808 1 102 . GLY . 50808 1 103 . TYR . 50808 1 104 . TYR . 50808 1 105 . SER . 50808 1 106 . ASP . 50808 1 107 . THR . 50808 1 108 . SER . 50808 1 109 . TYR . 50808 1 110 . TYR . 50808 1 111 . THR . 50808 1 112 . ARG . 50808 1 113 . LEU . 50808 1 114 . ASN . 50808 1 115 . ASN . 50808 1 116 . TYR . 50808 1 117 . LEU . 50808 1 118 . TYR . 50808 1 119 . TRP . 50808 1 120 . GLY . 50808 1 121 . GLN . 50808 1 122 . GLY . 50808 1 123 . THR . 50808 1 124 . GLN . 50808 1 125 . VAL . 50808 1 126 . THR . 50808 1 127 . VAL . 50808 1 128 . SER . 50808 1 129 . SER . 50808 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 . GLN 1 1 50808 1 . VAL 2 2 50808 1 . GLN 3 3 50808 1 . LEU 4 4 50808 1 . GLN 5 5 50808 1 . GLU 6 6 50808 1 . SER 7 7 50808 1 . GLY 8 8 50808 1 . GLY 9 9 50808 1 . GLY 10 10 50808 1 . LEU 11 11 50808 1 . VAL 12 12 50808 1 . GLN 13 13 50808 1 . ALA 14 14 50808 1 . GLY 15 15 50808 1 . GLY 16 16 50808 1 . SER 17 17 50808 1 . LEU 18 18 50808 1 . ARG 19 19 50808 1 . LEU 20 20 50808 1 . SER 21 21 50808 1 . CYS 22 22 50808 1 . ALA 23 23 50808 1 . ALA 24 24 50808 1 . SER 25 25 50808 1 . GLY 26 26 50808 1 . ARG 27 27 50808 1 . THR 28 28 50808 1 . PHE 29 29 50808 1 . SER 30 30 50808 1 . SER 31 31 50808 1 . TYR 32 32 50808 1 . ALA 33 33 50808 1 . MET 34 34 50808 1 . ALA 35 35 50808 1 . TRP 36 36 50808 1 . PHE 37 37 50808 1 . ARG 38 38 50808 1 . GLN 39 39 50808 1 . ALA 40 40 50808 1 . PRO 41 41 50808 1 . GLY 42 42 50808 1 . LYS 43 43 50808 1 . GLU 44 44 50808 1 . ARG 45 45 50808 1 . GLU 46 46 50808 1 . PHE 47 47 50808 1 . VAL 48 48 50808 1 . ALA 49 49 50808 1 . ARG 50 50 50808 1 . ILE 51 51 50808 1 . SER 52 52 50808 1 . GLY 53 53 50808 1 . VAL 54 54 50808 1 . GLY 55 55 50808 1 . THR 56 56 50808 1 . ASN 57 57 50808 1 . THR 58 58 50808 1 . TYR 59 59 50808 1 . TYR 60 60 50808 1 . THR 61 61 50808 1 . ASP 62 62 50808 1 . SER 63 63 50808 1 . VAL 64 64 50808 1 . LYS 65 65 50808 1 . GLY 66 66 50808 1 . ARG 67 67 50808 1 . VAL 68 68 50808 1 . THR 69 69 50808 1 . ILE 70 70 50808 1 . SER 71 71 50808 1 . ARG 72 72 50808 1 . ASP 73 73 50808 1 . ASN 74 74 50808 1 . ALA 75 75 50808 1 . LYS 76 76 50808 1 . ASN 77 77 50808 1 . THR 78 78 50808 1 . VAL 79 79 50808 1 . TYR 80 80 50808 1 . LEU 81 81 50808 1 . GLN 82 82 50808 1 . MET 83 83 50808 1 . ASN 84 84 50808 1 . SER 85 85 50808 1 . LEU 86 86 50808 1 . LYS 87 87 50808 1 . PRO 88 88 50808 1 . GLU 89 89 50808 1 . ASP 90 90 50808 1 . THR 91 91 50808 1 . ALA 92 92 50808 1 . VAL 93 93 50808 1 . TYR 94 94 50808 1 . TYR 95 95 50808 1 . CYS 96 96 50808 1 . ALA 97 97 50808 1 . ALA 98 98 50808 1 . SER 99 99 50808 1 . ILE 100 100 50808 1 . TYR 101 101 50808 1 . GLY 102 102 50808 1 . TYR 103 103 50808 1 . TYR 104 104 50808 1 . SER 105 105 50808 1 . ASP 106 106 50808 1 . THR 107 107 50808 1 . SER 108 108 50808 1 . TYR 109 109 50808 1 . TYR 110 110 50808 1 . THR 111 111 50808 1 . ARG 112 112 50808 1 . LEU 113 113 50808 1 . ASN 114 114 50808 1 . ASN 115 115 50808 1 . TYR 116 116 50808 1 . LEU 117 117 50808 1 . TYR 118 118 50808 1 . TRP 119 119 50808 1 . GLY 120 120 50808 1 . GLN 121 121 50808 1 . GLY 122 122 50808 1 . THR 123 123 50808 1 . GLN 124 124 50808 1 . VAL 125 125 50808 1 . THR 126 126 50808 1 . VAL 127 127 50808 1 . SER 128 128 50808 1 . SER 129 129 50808 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50808 _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 $entity_1 . 9844 organism . 'Llama glama' 'Llama glama' . . Eukaryota Metazoa Llama glama . . . . . . . . . . . . . 50808 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50808 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-22b(+) . . . 50808 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50808 _Sample.ID 1 _Sample.Name 'Nb23 labeled sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Nb23 monomer' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 250 . . uM . . . . 50808 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50808 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 50808 1 4 TRIS 'natural abundance' . . . . . . 19.5 . . mM . . . . 50808 1 5 'sodium chloride' 'natural abundance' . . . . . . 21 . . mM . . . . 50808 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50808 _Sample.ID 2 _Sample.Name 'Nb23 labeled sample 2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Nb23 monomer' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 290 . . uM . . . . 50808 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50808 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 50808 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50808 _Sample.ID 3 _Sample.Name 'Nb23 unlabeled sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Nb23 monomer' 'natural abundance' . . 1 $entity_1 . . 190 . . uM . . . . 50808 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50808 3 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 50808 3 4 'sodium chloride' 'natural abundance' . . . . . . 6.3 . . mM . . . . 50808 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 50808 _Sample.ID 4 _Sample.Name 'Nb23 unlabeled sample 2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Nb23 monomer' 'natural abundance' . . 1 $entity_1 . . 100 . . uM . . . . 50808 4 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50808 4 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 50808 4 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 50808 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 50808 _Sample.ID 5 _Sample.Name 'Nb23 labeled sample 3' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Nb23 monomer' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 175 160 190 uM . . . . 50808 5 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50808 5 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 50808 5 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 50808 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Nb23 experimental conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.95 . pH 50808 1 pressure 1 . atm 50808 1 temperature 298 . K 50808 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50808 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50808 1 'chemical shift calculation' . 50808 1 'data analysis' . 50808 1 'peak picking' . 50808 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50808 _Software.ID 2 _Software.Type . _Software.Name CS-Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 50808 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50808 _Software.ID 3 _Software.Type . _Software.Name MolProbity _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50808 3 'geometry optimization' . 50808 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50808 _Software.ID 4 _Software.Type . _Software.Name PONDEROSA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50808 4 'geometry optimization' . 50808 4 refinement . 50808 4 'structure solution' . 50808 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 50808 _Software.ID 5 _Software.Type . _Software.Name ProcheckNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50808 5 'geometry optimization' . 50808 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 50808 _Software.ID 6 _Software.Type . _Software.Name PyMOL _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50808 6 'geometry optimization' . 50808 6 'structure solution' . 50808 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 50808 _Software.ID 7 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 50808 7 'structure solution' . 50808 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 50808 _Software.ID 8 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50808 8 'data analysis' . 50808 8 processing . 50808 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50808 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50808 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 2 '2D 1H-15N TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 3 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 6 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 7 '3D H(CCO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 9 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 10 '3D HN(CA)CO' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 13 '2D HBCBCGCDHD' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 14 '2D HBCBCGCDCEHE' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 15 '2D 1H-1H NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 18 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50808 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50808 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS referencing' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . Hz 0 na indirect 0.251449530 . . . . . 50808 1 H 1 DSS 'methyl protons' . . . . Hz 0 external direct 1 . . . . . 50808 1 N 15 DSS 'methyl protons' . . . . Hz 0 na indirect 0.101329118 . . . . . 50808 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50808 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Nb23 chemical shifts' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50808 1 2 '2D 1H-15N TROSY' . . . 50808 1 3 '3D CBCANH' . . . 50808 1 4 '3D CBCA(CO)NH' . . . 50808 1 5 '3D HNCA' . . . 50808 1 6 '3D C(CO)NH' . . . 50808 1 7 '3D H(CCO)NH' . . . 50808 1 8 '3D HBHA(CO)NH' . . . 50808 1 9 '3D HNCO' . . . 50808 1 10 '3D HN(CA)CO' . . . 50808 1 11 '2D 1H-1H TOCSY' . . . 50808 1 12 '3D 1H-15N NOESY' . . . 50808 1 13 '2D HBCBCGCDHD' . . . 50808 1 14 '2D HBCBCGCDCEHE' . . . 50808 1 15 '2D 1H-1H NOESY' . . . 50808 1 16 '3D 1H-13C NOESY aliphatic' . . . 50808 1 17 '3D 1H-13C NOESY aromatic' . . . 50808 1 18 '2D 1H-13C HSQC' . . . 50808 1 19 '2D 1H-15N HSQC' . . . 50808 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 8 $software_8 . . 50808 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLN HA H 1 4.117 0.00 . . . . . . . 1 GLN HA . 50808 1 2 . 1 . 1 1 1 GLN HB2 H 1 1.937 0.00 . . . . . . . 1 GLN HB . 50808 1 3 . 1 . 1 1 1 GLN HB3 H 1 1.937 0.00 . . . . . . . 1 GLN HB . 50808 1 4 . 1 . 1 1 1 GLN HG2 H 1 2.315 0.00 . . . . . . . 1 GLN HG . 50808 1 5 . 1 . 1 1 1 GLN HG3 H 1 2.315 0.00 . . . . . . . 1 GLN HG . 50808 1 6 . 1 . 1 1 1 GLN C C 13 175.125 0.00 . . . . . . . 1 GLN C . 50808 1 7 . 1 . 1 1 1 GLN CA C 13 56.447 0.04 . . . . . . . 1 GLN CA . 50808 1 8 . 1 . 1 1 1 GLN CB C 13 29.591 0.08 . . . . . . . 1 GLN CB . 50808 1 9 . 1 . 1 1 1 GLN CG C 13 33.630 0.00 . . . . . . . 1 GLN CG . 50808 1 10 . 1 . 1 2 2 VAL H H 1 6.169 0.01 . . . . . . . 2 VAL H . 50808 1 11 . 1 . 1 2 2 VAL HA H 1 4.025 0.00 . . . . . . . 2 VAL HA . 50808 1 12 . 1 . 1 2 2 VAL HB H 1 1.767 0.00 . . . . . . . 2 VAL HB . 50808 1 13 . 1 . 1 2 2 VAL HG11 H 1 1.014 0.00 . . . . . . . 2 VAL HG1 . 50808 1 14 . 1 . 1 2 2 VAL HG12 H 1 1.014 0.00 . . . . . . . 2 VAL HG1 . 50808 1 15 . 1 . 1 2 2 VAL HG13 H 1 1.014 0.00 . . . . . . . 2 VAL HG1 . 50808 1 16 . 1 . 1 2 2 VAL HG21 H 1 0.351 0.00 . . . . . . . 2 VAL HG2 . 50808 1 17 . 1 . 1 2 2 VAL HG22 H 1 0.351 0.00 . . . . . . . 2 VAL HG2 . 50808 1 18 . 1 . 1 2 2 VAL HG23 H 1 0.351 0.00 . . . . . . . 2 VAL HG2 . 50808 1 19 . 1 . 1 2 2 VAL C C 13 173.978 0.01 . . . . . . . 2 VAL C . 50808 1 20 . 1 . 1 2 2 VAL CA C 13 61.207 0.05 . . . . . . . 2 VAL CA . 50808 1 21 . 1 . 1 2 2 VAL CB C 13 33.474 0.05 . . . . . . . 2 VAL CB . 50808 1 22 . 1 . 1 2 2 VAL CG1 C 13 20.874 0.00 . . . . . . . 2 VAL CG1 . 50808 1 23 . 1 . 1 2 2 VAL CG2 C 13 20.874 0.00 . . . . . . . 2 VAL CG2 . 50808 1 24 . 1 . 1 2 2 VAL N N 15 120.463 0.05 . . . . . . . 2 VAL N . 50808 1 25 . 1 . 1 3 3 GLN H H 1 8.170 0.00 . . . . . . . 3 GLN H . 50808 1 26 . 1 . 1 3 3 GLN HA H 1 4.436 0.00 . . . . . . . 3 GLN HA . 50808 1 27 . 1 . 1 3 3 GLN HB2 H 1 1.996 0.01 . . . . . . . 3 GLN HB2 . 50808 1 28 . 1 . 1 3 3 GLN HB3 H 1 1.846 0.01 . . . . . . . 3 GLN HB3 . 50808 1 29 . 1 . 1 3 3 GLN HG2 H 1 2.312 0.00 . . . . . . . 3 GLN HG2 . 50808 1 30 . 1 . 1 3 3 GLN HG3 H 1 2.228 0.00 . . . . . . . 3 GLN HG3 . 50808 1 31 . 1 . 1 3 3 GLN C C 13 174.580 0.03 . . . . . . . 3 GLN C . 50808 1 32 . 1 . 1 3 3 GLN CA C 13 54.791 0.05 . . . . . . . 3 GLN CA . 50808 1 33 . 1 . 1 3 3 GLN CB C 13 30.867 0.01 . . . . . . . 3 GLN CB . 50808 1 34 . 1 . 1 3 3 GLN CG C 13 34.121 0.00 . . . . . . . 3 GLN CG . 50808 1 35 . 1 . 1 3 3 GLN N N 15 124.689 0.11 . . . . . . . 3 GLN N . 50808 1 36 . 1 . 1 4 4 LEU H H 1 8.668 0.00 . . . . . . . 4 LEU H . 50808 1 37 . 1 . 1 4 4 LEU HA H 1 4.841 0.00 . . . . . . . 4 LEU HA . 50808 1 38 . 1 . 1 4 4 LEU HB2 H 1 1.336 0.00 . . . . . . . 4 LEU HB2 . 50808 1 39 . 1 . 1 4 4 LEU HB3 H 1 0.941 0.00 . . . . . . . 4 LEU HB3 . 50808 1 40 . 1 . 1 4 4 LEU HD11 H 1 0.472 0.00 . . . . . . . 4 LEU HD . 50808 1 41 . 1 . 1 4 4 LEU HD12 H 1 0.472 0.00 . . . . . . . 4 LEU HD . 50808 1 42 . 1 . 1 4 4 LEU HD13 H 1 0.472 0.00 . . . . . . . 4 LEU HD . 50808 1 43 . 1 . 1 4 4 LEU HD21 H 1 0.472 0.00 . . . . . . . 4 LEU HD . 50808 1 44 . 1 . 1 4 4 LEU HD22 H 1 0.472 0.00 . . . . . . . 4 LEU HD . 50808 1 45 . 1 . 1 4 4 LEU HD23 H 1 0.472 0.00 . . . . . . . 4 LEU HD . 50808 1 46 . 1 . 1 4 4 LEU C C 13 175.599 0.00 . . . . . . . 4 LEU C . 50808 1 47 . 1 . 1 4 4 LEU CA C 13 53.986 0.10 . . . . . . . 4 LEU CA . 50808 1 48 . 1 . 1 4 4 LEU CB C 13 44.508 0.11 . . . . . . . 4 LEU CB . 50808 1 49 . 1 . 1 4 4 LEU CG C 13 27.395 0.00 . . . . . . . 4 LEU CG . 50808 1 50 . 1 . 1 4 4 LEU CD1 C 13 25.546 0.00 . . . . . . . 4 LEU CD . 50808 1 51 . 1 . 1 4 4 LEU CD2 C 13 25.546 0.00 . . . . . . . 4 LEU CD . 50808 1 52 . 1 . 1 4 4 LEU N N 15 125.228 0.04 . . . . . . . 4 LEU N . 50808 1 53 . 1 . 1 5 5 GLN H H 1 8.159 0.00 . . . . . . . 5 GLN H . 50808 1 54 . 1 . 1 5 5 GLN HA H 1 4.759 0.01 . . . . . . . 5 GLN HA . 50808 1 55 . 1 . 1 5 5 GLN HB2 H 1 2.070 0.01 . . . . . . . 5 GLN HB2 . 50808 1 56 . 1 . 1 5 5 GLN HB3 H 1 1.880 0.00 . . . . . . . 5 GLN HB3 . 50808 1 57 . 1 . 1 5 5 GLN HG2 H 1 2.505 0.00 . . . . . . . 5 GLN HG2 . 50808 1 58 . 1 . 1 5 5 GLN HG3 H 1 2.312 0.00 . . . . . . . 5 GLN HG3 . 50808 1 59 . 1 . 1 5 5 GLN C C 13 174.931 0.00 . . . . . . . 5 GLN C . 50808 1 60 . 1 . 1 5 5 GLN CA C 13 55.718 0.07 . . . . . . . 5 GLN CA . 50808 1 61 . 1 . 1 5 5 GLN CB C 13 31.821 0.02 . . . . . . . 5 GLN CB . 50808 1 62 . 1 . 1 5 5 GLN CG C 13 34.327 0.00 . . . . . . . 5 GLN CG . 50808 1 63 . 1 . 1 5 5 GLN N N 15 120.457 0.10 . . . . . . . 5 GLN N . 50808 1 64 . 1 . 1 6 6 GLU H H 1 11.153 0.00 . . . . . . . 6 GLU H . 50808 1 65 . 1 . 1 6 6 GLU HA H 1 5.357 0.00 . . . . . . . 6 GLU HA . 50808 1 66 . 1 . 1 6 6 GLU HB2 H 1 2.176 0.00 . . . . . . . 6 GLU HB . 50808 1 67 . 1 . 1 6 6 GLU HB3 H 1 2.176 0.00 . . . . . . . 6 GLU HB . 50808 1 68 . 1 . 1 6 6 GLU HG2 H 1 2.762 0.00 . . . . . . . 6 GLU HG . 50808 1 69 . 1 . 1 6 6 GLU HG3 H 1 2.762 0.00 . . . . . . . 6 GLU HG . 50808 1 70 . 1 . 1 6 6 GLU C C 13 176.620 0.00 . . . . . . . 6 GLU C . 50808 1 71 . 1 . 1 6 6 GLU CA C 13 57.575 0.05 . . . . . . . 6 GLU CA . 50808 1 72 . 1 . 1 6 6 GLU CB C 13 31.077 0.10 . . . . . . . 6 GLU CB . 50808 1 73 . 1 . 1 6 6 GLU CG C 13 37.743 0.00 . . . . . . . 6 GLU CG . 50808 1 74 . 1 . 1 6 6 GLU N N 15 133.492 0.07 . . . . . . . 6 GLU N . 50808 1 75 . 1 . 1 7 7 SER H H 1 9.670 0.00 . . . . . . . 7 SER H . 50808 1 76 . 1 . 1 7 7 SER HA H 1 4.790 0.00 . . . . . . . 7 SER HA . 50808 1 77 . 1 . 1 7 7 SER HB2 H 1 3.920 0.00 . . . . . . . 7 SER HB . 50808 1 78 . 1 . 1 7 7 SER HB3 H 1 3.920 0.00 . . . . . . . 7 SER HB . 50808 1 79 . 1 . 1 7 7 SER C C 13 173.180 0.01 . . . . . . . 7 SER C . 50808 1 80 . 1 . 1 7 7 SER CA C 13 58.237 0.03 . . . . . . . 7 SER CA . 50808 1 81 . 1 . 1 7 7 SER CB C 13 65.769 0.02 . . . . . . . 7 SER CB . 50808 1 82 . 1 . 1 7 7 SER N N 15 115.528 0.03 . . . . . . . 7 SER N . 50808 1 83 . 1 . 1 8 8 GLY H H 1 8.583 0.00 . . . . . . . 8 GLY H . 50808 1 84 . 1 . 1 8 8 GLY HA2 H 1 4.674 0.00 . . . . . . . 8 GLY HA2 . 50808 1 85 . 1 . 1 8 8 GLY HA3 H 1 3.764 0.01 . . . . . . . 8 GLY HA3 . 50808 1 86 . 1 . 1 8 8 GLY C C 13 174.458 0.03 . . . . . . . 8 GLY C . 50808 1 87 . 1 . 1 8 8 GLY CA C 13 45.005 0.05 . . . . . . . 8 GLY CA . 50808 1 88 . 1 . 1 8 8 GLY N N 15 107.422 0.07 . . . . . . . 8 GLY N . 50808 1 89 . 1 . 1 9 9 GLY H H 1 7.705 0.00 . . . . . . . 9 GLY H . 50808 1 90 . 1 . 1 9 9 GLY HA2 H 1 3.970 0.00 . . . . . . . 9 GLY HA2 . 50808 1 91 . 1 . 1 9 9 GLY HA3 H 1 3.580 0.00 . . . . . . . 9 GLY HA3 . 50808 1 92 . 1 . 1 9 9 GLY C C 13 172.969 0.00 . . . . . . . 9 GLY C . 50808 1 93 . 1 . 1 9 9 GLY CA C 13 45.498 0.06 . . . . . . . 9 GLY CA . 50808 1 94 . 1 . 1 9 9 GLY N N 15 106.285 0.05 . . . . . . . 9 GLY N . 50808 1 95 . 1 . 1 10 10 GLY H H 1 7.549 0.00 . . . . . . . 10 GLY H . 50808 1 96 . 1 . 1 10 10 GLY HA2 H 1 4.174 0.00 . . . . . . . 10 GLY HA2 . 50808 1 97 . 1 . 1 10 10 GLY HA3 H 1 3.917 0.00 . . . . . . . 10 GLY HA3 . 50808 1 98 . 1 . 1 10 10 GLY C C 13 170.755 0.01 . . . . . . . 10 GLY C . 50808 1 99 . 1 . 1 10 10 GLY CA C 13 44.884 0.06 . . . . . . . 10 GLY CA . 50808 1 100 . 1 . 1 10 10 GLY N N 15 108.144 0.03 . . . . . . . 10 GLY N . 50808 1 101 . 1 . 1 11 11 LEU H H 1 8.158 0.00 . . . . . . . 11 LEU H . 50808 1 102 . 1 . 1 11 11 LEU HA H 1 5.225 0.00 . . . . . . . 11 LEU HA . 50808 1 103 . 1 . 1 11 11 LEU HB2 H 1 1.642 0.00 . . . . . . . 11 LEU HB2 . 50808 1 104 . 1 . 1 11 11 LEU HB3 H 1 1.446 0.01 . . . . . . . 11 LEU HB3 . 50808 1 105 . 1 . 1 11 11 LEU HG H 1 1.167 0.00 . . . . . . . 11 LEU HG . 50808 1 106 . 1 . 1 11 11 LEU HD11 H 1 0.818 0.00 . . . . . . . 11 LEU HD . 50808 1 107 . 1 . 1 11 11 LEU HD12 H 1 0.818 0.00 . . . . . . . 11 LEU HD . 50808 1 108 . 1 . 1 11 11 LEU HD13 H 1 0.818 0.00 . . . . . . . 11 LEU HD . 50808 1 109 . 1 . 1 11 11 LEU HD21 H 1 0.818 0.00 . . . . . . . 11 LEU HD . 50808 1 110 . 1 . 1 11 11 LEU HD22 H 1 0.818 0.00 . . . . . . . 11 LEU HD . 50808 1 111 . 1 . 1 11 11 LEU HD23 H 1 0.818 0.00 . . . . . . . 11 LEU HD . 50808 1 112 . 1 . 1 11 11 LEU C C 13 176.712 0.01 . . . . . . . 11 LEU C . 50808 1 113 . 1 . 1 11 11 LEU CA C 13 54.370 0.06 . . . . . . . 11 LEU CA . 50808 1 114 . 1 . 1 11 11 LEU CB C 13 43.007 0.05 . . . . . . . 11 LEU CB . 50808 1 115 . 1 . 1 11 11 LEU CG C 13 27.768 0.00 . . . . . . . 11 LEU CG . 50808 1 116 . 1 . 1 11 11 LEU CD1 C 13 24.846 0.00 . . . . . . . 11 LEU CD . 50808 1 117 . 1 . 1 11 11 LEU CD2 C 13 24.846 0.00 . . . . . . . 11 LEU CD . 50808 1 118 . 1 . 1 11 11 LEU N N 15 123.036 0.11 . . . . . . . 11 LEU N . 50808 1 119 . 1 . 1 12 12 VAL H H 1 9.007 0.00 . . . . . . . 12 VAL H . 50808 1 120 . 1 . 1 12 12 VAL HA H 1 4.524 0.00 . . . . . . . 12 VAL HA . 50808 1 121 . 1 . 1 12 12 VAL HB H 1 1.918 0.00 . . . . . . . 12 VAL HB . 50808 1 122 . 1 . 1 12 12 VAL HG11 H 1 0.815 0.00 . . . . . . . 12 VAL HG1 . 50808 1 123 . 1 . 1 12 12 VAL HG12 H 1 0.815 0.00 . . . . . . . 12 VAL HG1 . 50808 1 124 . 1 . 1 12 12 VAL HG13 H 1 0.815 0.00 . . . . . . . 12 VAL HG1 . 50808 1 125 . 1 . 1 12 12 VAL HG21 H 1 0.630 0.00 . . . . . . . 12 VAL HG2 . 50808 1 126 . 1 . 1 12 12 VAL HG22 H 1 0.630 0.00 . . . . . . . 12 VAL HG2 . 50808 1 127 . 1 . 1 12 12 VAL HG23 H 1 0.630 0.00 . . . . . . . 12 VAL HG2 . 50808 1 128 . 1 . 1 12 12 VAL C C 13 173.444 0.01 . . . . . . . 12 VAL C . 50808 1 129 . 1 . 1 12 12 VAL CA C 13 59.563 0.05 . . . . . . . 12 VAL CA . 50808 1 130 . 1 . 1 12 12 VAL CB C 13 35.697 0.02 . . . . . . . 12 VAL CB . 50808 1 131 . 1 . 1 12 12 VAL CG1 C 13 21.405 0.00 . . . . . . . 12 VAL CG1 . 50808 1 132 . 1 . 1 12 12 VAL CG2 C 13 21.405 0.00 . . . . . . . 12 VAL CG2 . 50808 1 133 . 1 . 1 12 12 VAL N N 15 124.550 0.07 . . . . . . . 12 VAL N . 50808 1 134 . 1 . 1 13 13 GLN H H 1 8.315 0.00 . . . . . . . 13 GLN H . 50808 1 135 . 1 . 1 13 13 GLN HA H 1 4.523 0.00 . . . . . . . 13 GLN HA . 50808 1 136 . 1 . 1 13 13 GLN HB2 H 1 1.949 0.01 . . . . . . . 13 GLN HB . 50808 1 137 . 1 . 1 13 13 GLN HB3 H 1 1.949 0.01 . . . . . . . 13 GLN HB . 50808 1 138 . 1 . 1 13 13 GLN HG2 H 1 2.348 0.00 . . . . . . . 13 GLN HG . 50808 1 139 . 1 . 1 13 13 GLN HG3 H 1 2.348 0.00 . . . . . . . 13 GLN HG . 50808 1 140 . 1 . 1 13 13 GLN C C 13 175.995 0.02 . . . . . . . 13 GLN C . 50808 1 141 . 1 . 1 13 13 GLN CA C 13 55.150 0.05 . . . . . . . 13 GLN CA . 50808 1 142 . 1 . 1 13 13 GLN CB C 13 29.925 0.03 . . . . . . . 13 GLN CB . 50808 1 143 . 1 . 1 13 13 GLN CG C 13 33.878 0.00 . . . . . . . 13 GLN CG . 50808 1 144 . 1 . 1 13 13 GLN N N 15 122.867 0.05 . . . . . . . 13 GLN N . 50808 1 145 . 1 . 1 14 14 ALA H H 1 8.132 0.00 . . . . . . . 14 ALA H . 50808 1 146 . 1 . 1 14 14 ALA HA H 1 3.618 0.00 . . . . . . . 14 ALA HA . 50808 1 147 . 1 . 1 14 14 ALA HB1 H 1 1.273 0.00 . . . . . . . 14 ALA HB . 50808 1 148 . 1 . 1 14 14 ALA HB2 H 1 1.273 0.00 . . . . . . . 14 ALA HB . 50808 1 149 . 1 . 1 14 14 ALA HB3 H 1 1.273 0.00 . . . . . . . 14 ALA HB . 50808 1 150 . 1 . 1 14 14 ALA C C 13 178.150 0.00 . . . . . . . 14 ALA C . 50808 1 151 . 1 . 1 14 14 ALA CA C 13 53.747 0.04 . . . . . . . 14 ALA CA . 50808 1 152 . 1 . 1 14 14 ALA CB C 13 17.634 0.10 . . . . . . . 14 ALA CB . 50808 1 153 . 1 . 1 14 14 ALA N N 15 124.493 0.05 . . . . . . . 14 ALA N . 50808 1 154 . 1 . 1 15 15 GLY H H 1 9.720 0.00 . . . . . . . 15 GLY H . 50808 1 155 . 1 . 1 15 15 GLY HA2 H 1 4.424 0.00 . . . . . . . 15 GLY HA2 . 50808 1 156 . 1 . 1 15 15 GLY HA3 H 1 3.544 0.00 . . . . . . . 15 GLY HA3 . 50808 1 157 . 1 . 1 15 15 GLY C C 13 175.248 0.03 . . . . . . . 15 GLY C . 50808 1 158 . 1 . 1 15 15 GLY CA C 13 44.950 0.05 . . . . . . . 15 GLY CA . 50808 1 159 . 1 . 1 15 15 GLY N N 15 113.077 0.02 . . . . . . . 15 GLY N . 50808 1 160 . 1 . 1 16 16 GLY H H 1 8.369 0.00 . . . . . . . 16 GLY H . 50808 1 161 . 1 . 1 16 16 GLY HA2 H 1 4.342 0.00 . . . . . . . 16 GLY HA2 . 50808 1 162 . 1 . 1 16 16 GLY HA3 H 1 3.779 0.00 . . . . . . . 16 GLY HA3 . 50808 1 163 . 1 . 1 16 16 GLY C C 13 170.720 0.00 . . . . . . . 16 GLY C . 50808 1 164 . 1 . 1 16 16 GLY CA C 13 44.575 0.05 . . . . . . . 16 GLY CA . 50808 1 165 . 1 . 1 16 16 GLY N N 15 109.267 0.04 . . . . . . . 16 GLY N . 50808 1 166 . 1 . 1 17 17 SER H H 1 7.969 0.00 . . . . . . . 17 SER H . 50808 1 167 . 1 . 1 17 17 SER HA H 1 4.910 0.35 . . . . . . . 17 SER HA . 50808 1 168 . 1 . 1 17 17 SER HB2 H 1 3.807 0.00 . . . . . . . 17 SER HB2 . 50808 1 169 . 1 . 1 17 17 SER HB3 H 1 3.719 0.00 . . . . . . . 17 SER HB3 . 50808 1 170 . 1 . 1 17 17 SER C C 13 172.994 0.01 . . . . . . . 17 SER C . 50808 1 171 . 1 . 1 17 17 SER CA C 13 56.649 0.06 . . . . . . . 17 SER CA . 50808 1 172 . 1 . 1 17 17 SER CB C 13 67.034 0.13 . . . . . . . 17 SER CB . 50808 1 173 . 1 . 1 17 17 SER N N 15 110.492 0.04 . . . . . . . 17 SER N . 50808 1 174 . 1 . 1 18 18 LEU H H 1 8.719 0.00 . . . . . . . 18 LEU H . 50808 1 175 . 1 . 1 18 18 LEU HA H 1 4.427 0.00 . . . . . . . 18 LEU HA . 50808 1 176 . 1 . 1 18 18 LEU HB2 H 1 1.364 0.00 . . . . . . . 18 LEU HB . 50808 1 177 . 1 . 1 18 18 LEU HB3 H 1 1.364 0.00 . . . . . . . 18 LEU HB . 50808 1 178 . 1 . 1 18 18 LEU HD11 H 1 0.728 0.00 . . . . . . . 18 LEU HD . 50808 1 179 . 1 . 1 18 18 LEU HD12 H 1 0.728 0.00 . . . . . . . 18 LEU HD . 50808 1 180 . 1 . 1 18 18 LEU HD13 H 1 0.728 0.00 . . . . . . . 18 LEU HD . 50808 1 181 . 1 . 1 18 18 LEU HD21 H 1 0.728 0.00 . . . . . . . 18 LEU HD . 50808 1 182 . 1 . 1 18 18 LEU HD22 H 1 0.728 0.00 . . . . . . . 18 LEU HD . 50808 1 183 . 1 . 1 18 18 LEU HD23 H 1 0.728 0.00 . . . . . . . 18 LEU HD . 50808 1 184 . 1 . 1 18 18 LEU C C 13 173.584 0.01 . . . . . . . 18 LEU C . 50808 1 185 . 1 . 1 18 18 LEU CA C 13 54.805 0.06 . . . . . . . 18 LEU CA . 50808 1 186 . 1 . 1 18 18 LEU CB C 13 47.582 0.10 . . . . . . . 18 LEU CB . 50808 1 187 . 1 . 1 18 18 LEU CG C 13 26.196 0.00 . . . . . . . 18 LEU CG . 50808 1 188 . 1 . 1 18 18 LEU N N 15 121.522 0.14 . . . . . . . 18 LEU N . 50808 1 189 . 1 . 1 19 19 ARG H H 1 8.376 0.00 . . . . . . . 19 ARG H . 50808 1 190 . 1 . 1 19 19 ARG HA H 1 4.948 0.00 . . . . . . . 19 ARG HA . 50808 1 191 . 1 . 1 19 19 ARG HB2 H 1 1.821 0.01 . . . . . . . 19 ARG HB2 . 50808 1 192 . 1 . 1 19 19 ARG HB3 H 1 1.640 0.00 . . . . . . . 19 ARG HB3 . 50808 1 193 . 1 . 1 19 19 ARG HG2 H 1 1.324 0.00 . . . . . . . 19 ARG HG . 50808 1 194 . 1 . 1 19 19 ARG HG3 H 1 1.324 0.00 . . . . . . . 19 ARG HG . 50808 1 195 . 1 . 1 19 19 ARG HD2 H 1 2.958 0.00 . . . . . . . 19 ARG HD . 50808 1 196 . 1 . 1 19 19 ARG HD3 H 1 2.958 0.00 . . . . . . . 19 ARG HD . 50808 1 197 . 1 . 1 19 19 ARG C C 13 175.535 0.01 . . . . . . . 19 ARG C . 50808 1 198 . 1 . 1 19 19 ARG CA C 13 54.814 0.05 . . . . . . . 19 ARG CA . 50808 1 199 . 1 . 1 19 19 ARG CB C 13 32.238 0.08 . . . . . . . 19 ARG CB . 50808 1 200 . 1 . 1 19 19 ARG N N 15 124.017 0.05 . . . . . . . 19 ARG N . 50808 1 201 . 1 . 1 20 20 LEU H H 1 8.796 0.00 . . . . . . . 20 LEU H . 50808 1 202 . 1 . 1 20 20 LEU HA H 1 4.795 0.00 . . . . . . . 20 LEU HA . 50808 1 203 . 1 . 1 20 20 LEU HB2 H 1 1.122 0.00 . . . . . . . 20 LEU HB2 . 50808 1 204 . 1 . 1 20 20 LEU HB3 H 1 0.936 0.00 . . . . . . . 20 LEU HB3 . 50808 1 205 . 1 . 1 20 20 LEU HG H 1 0.637 0.00 . . . . . . . 20 LEU HG . 50808 1 206 . 1 . 1 20 20 LEU HD11 H 1 0.345 0.00 . . . . . . . 20 LEU HD1 . 50808 1 207 . 1 . 1 20 20 LEU HD12 H 1 0.345 0.00 . . . . . . . 20 LEU HD1 . 50808 1 208 . 1 . 1 20 20 LEU HD13 H 1 0.345 0.00 . . . . . . . 20 LEU HD1 . 50808 1 209 . 1 . 1 20 20 LEU HD21 H 1 -0.006 0.00 . . . . . . . 20 LEU HD2 . 50808 1 210 . 1 . 1 20 20 LEU HD22 H 1 -0.006 0.00 . . . . . . . 20 LEU HD2 . 50808 1 211 . 1 . 1 20 20 LEU HD23 H 1 -0.006 0.00 . . . . . . . 20 LEU HD2 . 50808 1 212 . 1 . 1 20 20 LEU C C 13 176.663 0.01 . . . . . . . 20 LEU C . 50808 1 213 . 1 . 1 20 20 LEU CA C 13 53.445 0.07 . . . . . . . 20 LEU CA . 50808 1 214 . 1 . 1 20 20 LEU CB C 13 43.255 0.09 . . . . . . . 20 LEU CB . 50808 1 215 . 1 . 1 20 20 LEU CG C 13 26.172 0.00 . . . . . . . 20 LEU CG . 50808 1 216 . 1 . 1 20 20 LEU CD1 C 13 21.955 0.00 . . . . . . . 20 LEU CD . 50808 1 217 . 1 . 1 20 20 LEU CD2 C 13 21.955 0.00 . . . . . . . 20 LEU CD . 50808 1 218 . 1 . 1 20 20 LEU N N 15 127.495 0.09 . . . . . . . 20 LEU N . 50808 1 219 . 1 . 1 21 21 SER H H 1 8.808 0.00 . . . . . . . 21 SER H . 50808 1 220 . 1 . 1 21 21 SER HA H 1 5.668 0.00 . . . . . . . 21 SER HA . 50808 1 221 . 1 . 1 21 21 SER HB2 H 1 3.775 0.00 . . . . . . . 21 SER HB2 . 50808 1 222 . 1 . 1 21 21 SER HB3 H 1 3.623 0.00 . . . . . . . 21 SER HB3 . 50808 1 223 . 1 . 1 21 21 SER C C 13 173.507 0.01 . . . . . . . 21 SER C . 50808 1 224 . 1 . 1 21 21 SER CA C 13 56.941 0.08 . . . . . . . 21 SER CA . 50808 1 225 . 1 . 1 21 21 SER CB C 13 67.276 0.06 . . . . . . . 21 SER CB . 50808 1 226 . 1 . 1 21 21 SER N N 15 113.863 0.13 . . . . . . . 21 SER N . 50808 1 227 . 1 . 1 22 22 CYS H H 1 9.175 0.00 . . . . . . . 22 CYS H . 50808 1 228 . 1 . 1 22 22 CYS HA H 1 5.101 0.01 . . . . . . . 22 CYS HA . 50808 1 229 . 1 . 1 22 22 CYS HB2 H 1 2.703 0.00 . . . . . . . 22 CYS HB2 . 50808 1 230 . 1 . 1 22 22 CYS HB3 H 1 2.453 0.00 . . . . . . . 22 CYS HB3 . 50808 1 231 . 1 . 1 22 22 CYS C C 13 172.287 0.01 . . . . . . . 22 CYS C . 50808 1 232 . 1 . 1 22 22 CYS CA C 13 57.691 0.07 . . . . . . . 22 CYS CA . 50808 1 233 . 1 . 1 22 22 CYS CB C 13 29.618 0.05 . . . . . . . 22 CYS CB . 50808 1 234 . 1 . 1 22 22 CYS N N 15 121.177 0.05 . . . . . . . 22 CYS N . 50808 1 235 . 1 . 1 23 23 ALA H H 1 8.079 0.00 . . . . . . . 23 ALA H . 50808 1 236 . 1 . 1 23 23 ALA HA H 1 4.952 0.00 . . . . . . . 23 ALA HA . 50808 1 237 . 1 . 1 23 23 ALA HB1 H 1 1.363 0.00 . . . . . . . 23 ALA HB . 50808 1 238 . 1 . 1 23 23 ALA HB2 H 1 1.363 0.00 . . . . . . . 23 ALA HB . 50808 1 239 . 1 . 1 23 23 ALA HB3 H 1 1.363 0.00 . . . . . . . 23 ALA HB . 50808 1 240 . 1 . 1 23 23 ALA C C 13 176.406 0.01 . . . . . . . 23 ALA C . 50808 1 241 . 1 . 1 23 23 ALA CA C 13 50.771 0.08 . . . . . . . 23 ALA CA . 50808 1 242 . 1 . 1 23 23 ALA CB C 13 20.718 0.08 . . . . . . . 23 ALA CB . 50808 1 243 . 1 . 1 23 23 ALA N N 15 132.263 0.07 . . . . . . . 23 ALA N . 50808 1 244 . 1 . 1 24 24 ALA H H 1 8.375 0.00 . . . . . . . 24 ALA H . 50808 1 245 . 1 . 1 24 24 ALA HA H 1 5.413 0.00 . . . . . . . 24 ALA HA . 50808 1 246 . 1 . 1 24 24 ALA HB1 H 1 0.971 0.00 . . . . . . . 24 ALA HB . 50808 1 247 . 1 . 1 24 24 ALA HB2 H 1 0.971 0.00 . . . . . . . 24 ALA HB . 50808 1 248 . 1 . 1 24 24 ALA HB3 H 1 0.971 0.00 . . . . . . . 24 ALA HB . 50808 1 249 . 1 . 1 24 24 ALA C C 13 177.228 0.01 . . . . . . . 24 ALA C . 50808 1 250 . 1 . 1 24 24 ALA CA C 13 49.721 0.06 . . . . . . . 24 ALA CA . 50808 1 251 . 1 . 1 24 24 ALA CB C 13 23.020 0.08 . . . . . . . 24 ALA CB . 50808 1 252 . 1 . 1 24 24 ALA N N 15 125.600 0.07 . . . . . . . 24 ALA N . 50808 1 253 . 1 . 1 25 25 SER H H 1 8.619 0.00 . . . . . . . 25 SER H . 50808 1 254 . 1 . 1 25 25 SER HA H 1 4.611 0.00 . . . . . . . 25 SER HA . 50808 1 255 . 1 . 1 25 25 SER HB2 H 1 3.979 0.00 . . . . . . . 25 SER HB2 . 50808 1 256 . 1 . 1 25 25 SER HB3 H 1 3.855 0.00 . . . . . . . 25 SER HB3 . 50808 1 257 . 1 . 1 25 25 SER C C 13 173.801 0.00 . . . . . . . 25 SER C . 50808 1 258 . 1 . 1 25 25 SER CA C 13 57.371 0.03 . . . . . . . 25 SER CA . 50808 1 259 . 1 . 1 25 25 SER CB C 13 64.712 0.03 . . . . . . . 25 SER CB . 50808 1 260 . 1 . 1 25 25 SER N N 15 118.000 0.03 . . . . . . . 25 SER N . 50808 1 261 . 1 . 1 26 26 GLY H H 1 8.320 0.00 . . . . . . . 26 GLY H . 50808 1 262 . 1 . 1 26 26 GLY CA C 13 44.820 0.00 . . . . . . . 26 GLY CA . 50808 1 263 . 1 . 1 26 26 GLY N N 15 107.089 0.09 . . . . . . . 26 GLY N . 50808 1 264 . 1 . 1 28 28 THR HB H 1 4.402 0.00 . . . . . . . 28 THR HB . 50808 1 265 . 1 . 1 28 28 THR HG21 H 1 1.149 0.00 . . . . . . . 28 THR HG2 . 50808 1 266 . 1 . 1 28 28 THR HG22 H 1 1.149 0.00 . . . . . . . 28 THR HG2 . 50808 1 267 . 1 . 1 28 28 THR HG23 H 1 1.149 0.00 . . . . . . . 28 THR HG2 . 50808 1 268 . 1 . 1 28 28 THR CA C 13 60.576 0.06 . . . . . . . 28 THR CA . 50808 1 269 . 1 . 1 28 28 THR CB C 13 68.738 0.03 . . . . . . . 28 THR CB . 50808 1 270 . 1 . 1 28 28 THR CG2 C 13 21.935 0.00 . . . . . . . 28 THR CG2 . 50808 1 271 . 1 . 1 29 29 PHE H H 1 8.113 0.00 . . . . . . . 29 PHE H . 50808 1 272 . 1 . 1 29 29 PHE HA H 1 4.208 0.00 . . . . . . . 29 PHE HA . 50808 1 273 . 1 . 1 29 29 PHE HB2 H 1 3.164 0.00 . . . . . . . 29 PHE HB2 . 50808 1 274 . 1 . 1 29 29 PHE HB3 H 1 3.000 0.00 . . . . . . . 29 PHE HB3 . 50808 1 275 . 1 . 1 29 29 PHE HD1 H 1 7.160 0.00 . . . . . . . 29 PHE HD . 50808 1 276 . 1 . 1 29 29 PHE HD2 H 1 7.160 0.00 . . . . . . . 29 PHE HD . 50808 1 277 . 1 . 1 29 29 PHE C C 13 176.827 0.01 . . . . . . . 29 PHE C . 50808 1 278 . 1 . 1 29 29 PHE CA C 13 61.302 0.13 . . . . . . . 29 PHE CA . 50808 1 279 . 1 . 1 29 29 PHE CB C 13 40.164 0.07 . . . . . . . 29 PHE CB . 50808 1 280 . 1 . 1 29 29 PHE N N 15 124.191 0.07 . . . . . . . 29 PHE N . 50808 1 281 . 1 . 1 30 30 SER H H 1 8.505 0.00 . . . . . . . 30 SER H . 50808 1 282 . 1 . 1 30 30 SER HA H 1 4.573 0.00 . . . . . . . 30 SER HA . 50808 1 283 . 1 . 1 30 30 SER HB2 H 1 3.909 0.00 . . . . . . . 30 SER HB2 . 50808 1 284 . 1 . 1 30 30 SER HB3 H 1 3.779 0.00 . . . . . . . 30 SER HB3 . 50808 1 285 . 1 . 1 30 30 SER C C 13 174.021 0.04 . . . . . . . 30 SER C . 50808 1 286 . 1 . 1 30 30 SER CA C 13 60.087 0.07 . . . . . . . 30 SER CA . 50808 1 287 . 1 . 1 30 30 SER CB C 13 63.122 0.05 . . . . . . . 30 SER CB . 50808 1 288 . 1 . 1 30 30 SER N N 15 111.209 0.06 . . . . . . . 30 SER N . 50808 1 289 . 1 . 1 31 31 SER H H 1 7.981 0.00 . . . . . . . 31 SER H . 50808 1 290 . 1 . 1 31 31 SER HA H 1 4.297 0.00 . . . . . . . 31 SER HA . 50808 1 291 . 1 . 1 31 31 SER HB2 H 1 3.670 0.00 . . . . . . . 31 SER HB . 50808 1 292 . 1 . 1 31 31 SER HB3 H 1 3.670 0.00 . . . . . . . 31 SER HB . 50808 1 293 . 1 . 1 31 31 SER CA C 13 59.704 0.17 . . . . . . . 31 SER CA . 50808 1 294 . 1 . 1 31 31 SER CB C 13 63.464 0.14 . . . . . . . 31 SER CB . 50808 1 295 . 1 . 1 31 31 SER N N 15 115.274 0.04 . . . . . . . 31 SER N . 50808 1 296 . 1 . 1 32 32 TYR H H 1 7.734 0.00 . . . . . . . 32 TYR H . 50808 1 297 . 1 . 1 32 32 TYR HA H 1 4.832 0.01 . . . . . . . 32 TYR HA . 50808 1 298 . 1 . 1 32 32 TYR HB2 H 1 2.924 0.01 . . . . . . . 32 TYR HB2 . 50808 1 299 . 1 . 1 32 32 TYR HB3 H 1 2.766 0.01 . . . . . . . 32 TYR HB3 . 50808 1 300 . 1 . 1 32 32 TYR HD1 H 1 6.937 0.00 . . . . . . . 32 TYR HD1 . 50808 1 301 . 1 . 1 32 32 TYR HD2 H 1 6.885 0.00 . . . . . . . 32 TYR HD2 . 50808 1 302 . 1 . 1 32 32 TYR HE1 H 1 6.697 0.00 . . . . . . . 32 TYR HE . 50808 1 303 . 1 . 1 32 32 TYR HE2 H 1 6.697 0.00 . . . . . . . 32 TYR HE . 50808 1 304 . 1 . 1 32 32 TYR C C 13 177.334 0.02 . . . . . . . 32 TYR C . 50808 1 305 . 1 . 1 32 32 TYR CA C 13 56.999 0.06 . . . . . . . 32 TYR CA . 50808 1 306 . 1 . 1 32 32 TYR CB C 13 39.375 0.04 . . . . . . . 32 TYR CB . 50808 1 307 . 1 . 1 32 32 TYR N N 15 120.086 0.05 . . . . . . . 32 TYR N . 50808 1 308 . 1 . 1 33 33 ALA H H 1 8.702 0.00 . . . . . . . 33 ALA H . 50808 1 309 . 1 . 1 33 33 ALA HA H 1 4.394 0.00 . . . . . . . 33 ALA HA . 50808 1 310 . 1 . 1 33 33 ALA HB1 H 1 1.450 0.00 . . . . . . . 33 ALA HB . 50808 1 311 . 1 . 1 33 33 ALA HB2 H 1 1.450 0.00 . . . . . . . 33 ALA HB . 50808 1 312 . 1 . 1 33 33 ALA HB3 H 1 1.450 0.00 . . . . . . . 33 ALA HB . 50808 1 313 . 1 . 1 33 33 ALA C C 13 176.336 0.00 . . . . . . . 33 ALA C . 50808 1 314 . 1 . 1 33 33 ALA CA C 13 52.364 0.02 . . . . . . . 33 ALA CA . 50808 1 315 . 1 . 1 33 33 ALA CB C 13 19.782 0.07 . . . . . . . 33 ALA CB . 50808 1 316 . 1 . 1 33 33 ALA N N 15 127.847 0.15 . . . . . . . 33 ALA N . 50808 1 317 . 1 . 1 34 34 MET H H 1 8.270 0.00 . . . . . . . 34 MET H . 50808 1 318 . 1 . 1 34 34 MET HA H 1 5.898 0.00 . . . . . . . 34 MET HA . 50808 1 319 . 1 . 1 34 34 MET HB2 H 1 1.566 0.01 . . . . . . . 34 MET HB . 50808 1 320 . 1 . 1 34 34 MET HB3 H 1 1.566 0.01 . . . . . . . 34 MET HB . 50808 1 321 . 1 . 1 34 34 MET HG2 H 1 2.160 0.00 . . . . . . . 34 MET HG . 50808 1 322 . 1 . 1 34 34 MET HG3 H 1 2.160 0.00 . . . . . . . 34 MET HG . 50808 1 323 . 1 . 1 34 34 MET C C 13 174.810 0.02 . . . . . . . 34 MET C . 50808 1 324 . 1 . 1 34 34 MET CA C 13 52.107 0.06 . . . . . . . 34 MET CA . 50808 1 325 . 1 . 1 34 34 MET CB C 13 35.109 0.08 . . . . . . . 34 MET CB . 50808 1 326 . 1 . 1 34 34 MET CG C 13 32.088 0.00 . . . . . . . 34 MET CG . 50808 1 327 . 1 . 1 34 34 MET N N 15 118.576 0.04 . . . . . . . 34 MET N . 50808 1 328 . 1 . 1 35 35 ALA H H 1 9.403 0.00 . . . . . . . 35 ALA H . 50808 1 329 . 1 . 1 35 35 ALA HA H 1 5.469 0.00 . . . . . . . 35 ALA HA . 50808 1 330 . 1 . 1 35 35 ALA HB1 H 1 1.392 0.00 . . . . . . . 35 ALA HB . 50808 1 331 . 1 . 1 35 35 ALA HB2 H 1 1.392 0.00 . . . . . . . 35 ALA HB . 50808 1 332 . 1 . 1 35 35 ALA HB3 H 1 1.392 0.00 . . . . . . . 35 ALA HB . 50808 1 333 . 1 . 1 35 35 ALA C C 13 175.488 0.01 . . . . . . . 35 ALA C . 50808 1 334 . 1 . 1 35 35 ALA CA C 13 50.527 0.07 . . . . . . . 35 ALA CA . 50808 1 335 . 1 . 1 35 35 ALA CB C 13 25.786 0.06 . . . . . . . 35 ALA CB . 50808 1 336 . 1 . 1 35 35 ALA N N 15 122.687 0.07 . . . . . . . 35 ALA N . 50808 1 337 . 1 . 1 36 36 TRP H H 1 8.798 0.00 . . . . . . . 36 TRP H . 50808 1 338 . 1 . 1 36 36 TRP HA H 1 5.847 0.00 . . . . . . . 36 TRP HA . 50808 1 339 . 1 . 1 36 36 TRP HB2 H 1 3.119 0.00 . . . . . . . 36 TRP HB2 . 50808 1 340 . 1 . 1 36 36 TRP HB3 H 1 2.533 0.00 . . . . . . . 36 TRP HB3 . 50808 1 341 . 1 . 1 36 36 TRP HD1 H 1 6.873 0.00 . . . . . . . 36 TRP HD1 . 50808 1 342 . 1 . 1 36 36 TRP C C 13 174.952 0.01 . . . . . . . 36 TRP C . 50808 1 343 . 1 . 1 36 36 TRP CA C 13 55.428 0.06 . . . . . . . 36 TRP CA . 50808 1 344 . 1 . 1 36 36 TRP CB C 13 32.120 0.05 . . . . . . . 36 TRP CB . 50808 1 345 . 1 . 1 36 36 TRP CD1 C 13 124.524 0.00 . . . . . . . 36 TRP CD1 . 50808 1 346 . 1 . 1 36 36 TRP N N 15 115.392 0.06 . . . . . . . 36 TRP N . 50808 1 347 . 1 . 1 37 37 PHE H H 1 10.239 0.00 . . . . . . . 37 PHE H . 50808 1 348 . 1 . 1 37 37 PHE HA H 1 5.254 0.01 . . . . . . . 37 PHE HA . 50808 1 349 . 1 . 1 37 37 PHE HB2 H 1 3.037 0.00 . . . . . . . 37 PHE HB2 . 50808 1 350 . 1 . 1 37 37 PHE HB3 H 1 2.918 0.00 . . . . . . . 37 PHE HB3 . 50808 1 351 . 1 . 1 37 37 PHE HD1 H 1 6.830 0.01 . . . . . . . 37 PHE HD . 50808 1 352 . 1 . 1 37 37 PHE HD2 H 1 6.830 0.01 . . . . . . . 37 PHE HD . 50808 1 353 . 1 . 1 37 37 PHE C C 13 174.491 0.03 . . . . . . . 37 PHE C . 50808 1 354 . 1 . 1 37 37 PHE CA C 13 56.325 0.05 . . . . . . . 37 PHE CA . 50808 1 355 . 1 . 1 37 37 PHE CB C 13 45.701 0.08 . . . . . . . 37 PHE CB . 50808 1 356 . 1 . 1 37 37 PHE CD1 C 13 131.564 0.00 . . . . . . . 37 PHE CD . 50808 1 357 . 1 . 1 37 37 PHE CD2 C 13 131.564 0.00 . . . . . . . 37 PHE CD . 50808 1 358 . 1 . 1 37 37 PHE N N 15 122.573 0.05 . . . . . . . 37 PHE N . 50808 1 359 . 1 . 1 38 38 ARG H H 1 9.865 0.00 . . . . . . . 38 ARG H . 50808 1 360 . 1 . 1 38 38 ARG HA H 1 5.783 0.00 . . . . . . . 38 ARG HA . 50808 1 361 . 1 . 1 38 38 ARG HB2 H 1 1.566 0.00 . . . . . . . 38 ARG HB . 50808 1 362 . 1 . 1 38 38 ARG HB3 H 1 1.566 0.00 . . . . . . . 38 ARG HB . 50808 1 363 . 1 . 1 38 38 ARG HG2 H 1 0.700 0.00 . . . . . . . 38 ARG HG . 50808 1 364 . 1 . 1 38 38 ARG HG3 H 1 0.700 0.00 . . . . . . . 38 ARG HG . 50808 1 365 . 1 . 1 38 38 ARG HD2 H 1 2.531 0.07 . . . . . . . 38 ARG HD2 . 50808 1 366 . 1 . 1 38 38 ARG C C 13 174.004 0.02 . . . . . . . 38 ARG C . 50808 1 367 . 1 . 1 38 38 ARG CA C 13 53.709 0.04 . . . . . . . 38 ARG CA . 50808 1 368 . 1 . 1 38 38 ARG CB C 13 32.439 0.11 . . . . . . . 38 ARG CB . 50808 1 369 . 1 . 1 38 38 ARG CG C 13 24.196 0.00 . . . . . . . 38 ARG CG . 50808 1 370 . 1 . 1 38 38 ARG N N 15 116.451 0.03 . . . . . . . 38 ARG N . 50808 1 371 . 1 . 1 39 39 GLN H H 1 9.617 0.00 . . . . . . . 39 GLN H . 50808 1 372 . 1 . 1 39 39 GLN HA H 1 4.915 0.00 . . . . . . . 39 GLN HA . 50808 1 373 . 1 . 1 39 39 GLN HB2 H 1 1.857 0.00 . . . . . . . 39 GLN HB2 . 50808 1 374 . 1 . 1 39 39 GLN HB3 H 1 1.641 0.00 . . . . . . . 39 GLN HB3 . 50808 1 375 . 1 . 1 39 39 GLN HG2 H 1 2.336 0.00 . . . . . . . 39 GLN HG2 . 50808 1 376 . 1 . 1 39 39 GLN HG3 H 1 2.167 0.00 . . . . . . . 39 GLN HG3 . 50808 1 377 . 1 . 1 39 39 GLN C C 13 174.446 0.08 . . . . . . . 39 GLN C . 50808 1 378 . 1 . 1 39 39 GLN CA C 13 54.919 0.04 . . . . . . . 39 GLN CA . 50808 1 379 . 1 . 1 39 39 GLN CB C 13 33.185 0.04 . . . . . . . 39 GLN CB . 50808 1 380 . 1 . 1 39 39 GLN N N 15 123.680 0.05 . . . . . . . 39 GLN N . 50808 1 381 . 1 . 1 40 40 ALA H H 1 9.525 0.01 . . . . . . . 40 ALA H . 50808 1 382 . 1 . 1 40 40 ALA HA H 1 4.818 0.00 . . . . . . . 40 ALA HA . 50808 1 383 . 1 . 1 40 40 ALA HB1 H 1 1.465 0.00 . . . . . . . 40 ALA HB . 50808 1 384 . 1 . 1 40 40 ALA HB2 H 1 1.465 0.00 . . . . . . . 40 ALA HB . 50808 1 385 . 1 . 1 40 40 ALA HB3 H 1 1.465 0.00 . . . . . . . 40 ALA HB . 50808 1 386 . 1 . 1 40 40 ALA CA C 13 50.207 0.04 . . . . . . . 40 ALA CA . 50808 1 387 . 1 . 1 40 40 ALA CB C 13 18.088 0.00 . . . . . . . 40 ALA CB . 50808 1 388 . 1 . 1 40 40 ALA N N 15 137.049 0.09 . . . . . . . 40 ALA N . 50808 1 389 . 1 . 1 41 41 PRO HA H 1 4.319 0.00 . . . . . . . 41 PRO HA . 50808 1 390 . 1 . 1 41 41 PRO HB2 H 1 2.254 0.00 . . . . . . . 41 PRO HB . 50808 1 391 . 1 . 1 41 41 PRO HB3 H 1 2.254 0.00 . . . . . . . 41 PRO HB . 50808 1 392 . 1 . 1 41 41 PRO HG2 H 1 1.959 0.00 . . . . . . . 41 PRO HG . 50808 1 393 . 1 . 1 41 41 PRO HG3 H 1 1.959 0.00 . . . . . . . 41 PRO HG . 50808 1 394 . 1 . 1 41 41 PRO CA C 13 64.317 0.13 . . . . . . . 41 PRO CA . 50808 1 395 . 1 . 1 41 41 PRO CB C 13 31.630 0.06 . . . . . . . 41 PRO CB . 50808 1 396 . 1 . 1 41 41 PRO CD C 13 52.891 0.00 . . . . . . . 41 PRO CD . 50808 1 397 . 1 . 1 42 42 GLY H H 1 8.734 0.00 . . . . . . . 42 GLY H . 50808 1 398 . 1 . 1 42 42 GLY HA2 H 1 4.129 0.00 . . . . . . . 42 GLY HA2 . 50808 1 399 . 1 . 1 42 42 GLY HA3 H 1 3.761 0.00 . . . . . . . 42 GLY HA3 . 50808 1 400 . 1 . 1 42 42 GLY C C 13 174.008 0.00 . . . . . . . 42 GLY C . 50808 1 401 . 1 . 1 42 42 GLY CA C 13 45.809 0.06 . . . . . . . 42 GLY CA . 50808 1 402 . 1 . 1 42 42 GLY N N 15 112.781 0.09 . . . . . . . 42 GLY N . 50808 1 403 . 1 . 1 43 43 LYS H H 1 7.954 0.00 . . . . . . . 43 LYS H . 50808 1 404 . 1 . 1 43 43 LYS HA H 1 4.803 0.00 . . . . . . . 43 LYS HA . 50808 1 405 . 1 . 1 43 43 LYS HB2 H 1 2.102 0.00 . . . . . . . 43 LYS HB2 . 50808 1 406 . 1 . 1 43 43 LYS HB3 H 1 1.959 0.00 . . . . . . . 43 LYS HB3 . 50808 1 407 . 1 . 1 43 43 LYS HG2 H 1 1.431 0.00 . . . . . . . 43 LYS HG2 . 50808 1 408 . 1 . 1 43 43 LYS HG3 H 1 1.319 0.00 . . . . . . . 43 LYS HG3 . 50808 1 409 . 1 . 1 43 43 LYS HD2 H 1 1.710 0.01 . . . . . . . 43 LYS HD . 50808 1 410 . 1 . 1 43 43 LYS HD3 H 1 1.710 0.01 . . . . . . . 43 LYS HD . 50808 1 411 . 1 . 1 43 43 LYS HE2 H 1 3.149 0.00 . . . . . . . 43 LYS HE2 . 50808 1 412 . 1 . 1 43 43 LYS HE3 H 1 3.024 0.00 . . . . . . . 43 LYS HE3 . 50808 1 413 . 1 . 1 43 43 LYS C C 13 176.193 0.03 . . . . . . . 43 LYS C . 50808 1 414 . 1 . 1 43 43 LYS CA C 13 54.354 0.05 . . . . . . . 43 LYS CA . 50808 1 415 . 1 . 1 43 43 LYS CB C 13 35.434 0.02 . . . . . . . 43 LYS CB . 50808 1 416 . 1 . 1 43 43 LYS CG C 13 24.953 0.00 . . . . . . . 43 LYS CG . 50808 1 417 . 1 . 1 43 43 LYS N N 15 120.096 0.04 . . . . . . . 43 LYS N . 50808 1 418 . 1 . 1 44 44 GLU H H 1 8.311 0.00 . . . . . . . 44 GLU H . 50808 1 419 . 1 . 1 44 44 GLU HA H 1 4.401 0.00 . . . . . . . 44 GLU HA . 50808 1 420 . 1 . 1 44 44 GLU HB2 H 1 2.130 0.00 . . . . . . . 44 GLU HB2 . 50808 1 421 . 1 . 1 44 44 GLU HB3 H 1 1.969 0.00 . . . . . . . 44 GLU HB3 . 50808 1 422 . 1 . 1 44 44 GLU HG2 H 1 2.428 0.00 . . . . . . . 44 GLU HG . 50808 1 423 . 1 . 1 44 44 GLU HG3 H 1 2.428 0.00 . . . . . . . 44 GLU HG . 50808 1 424 . 1 . 1 44 44 GLU C C 13 176.669 0.02 . . . . . . . 44 GLU C . 50808 1 425 . 1 . 1 44 44 GLU CA C 13 55.593 0.06 . . . . . . . 44 GLU CA . 50808 1 426 . 1 . 1 44 44 GLU CB C 13 30.821 0.06 . . . . . . . 44 GLU CB . 50808 1 427 . 1 . 1 44 44 GLU CG C 13 36.616 0.00 . . . . . . . 44 GLU CG . 50808 1 428 . 1 . 1 44 44 GLU N N 15 118.644 0.03 . . . . . . . 44 GLU N . 50808 1 429 . 1 . 1 45 45 ARG H H 1 8.814 0.00 . . . . . . . 45 ARG H . 50808 1 430 . 1 . 1 45 45 ARG HA H 1 4.350 0.00 . . . . . . . 45 ARG HA . 50808 1 431 . 1 . 1 45 45 ARG HB2 H 1 1.710 0.00 . . . . . . . 45 ARG HB . 50808 1 432 . 1 . 1 45 45 ARG HB3 H 1 1.710 0.00 . . . . . . . 45 ARG HB . 50808 1 433 . 1 . 1 45 45 ARG HG2 H 1 1.549 0.00 . . . . . . . 45 ARG HG2 . 50808 1 434 . 1 . 1 45 45 ARG HG3 H 1 1.484 0.00 . . . . . . . 45 ARG HG3 . 50808 1 435 . 1 . 1 45 45 ARG HD2 H 1 2.174 0.00 . . . . . . . 45 ARG HD . 50808 1 436 . 1 . 1 45 45 ARG HD3 H 1 2.174 0.00 . . . . . . . 45 ARG HD . 50808 1 437 . 1 . 1 45 45 ARG C C 13 175.262 0.07 . . . . . . . 45 ARG C . 50808 1 438 . 1 . 1 45 45 ARG CA C 13 57.752 0.04 . . . . . . . 45 ARG CA . 50808 1 439 . 1 . 1 45 45 ARG CB C 13 30.846 0.12 . . . . . . . 45 ARG CB . 50808 1 440 . 1 . 1 45 45 ARG CG C 13 27.890 0.00 . . . . . . . 45 ARG CG . 50808 1 441 . 1 . 1 45 45 ARG CD C 13 42.810 0.00 . . . . . . . 45 ARG CD . 50808 1 442 . 1 . 1 45 45 ARG N N 15 121.920 0.04 . . . . . . . 45 ARG N . 50808 1 443 . 1 . 1 46 46 GLU H H 1 9.619 0.00 . . . . . . . 46 GLU H . 50808 1 444 . 1 . 1 46 46 GLU HA H 1 5.085 0.00 . . . . . . . 46 GLU HA . 50808 1 445 . 1 . 1 46 46 GLU HB2 H 1 2.157 0.00 . . . . . . . 46 GLU HB . 50808 1 446 . 1 . 1 46 46 GLU HB3 H 1 2.157 0.00 . . . . . . . 46 GLU HB . 50808 1 447 . 1 . 1 46 46 GLU HG2 H 1 2.420 0.01 . . . . . . . 46 GLU HG . 50808 1 448 . 1 . 1 46 46 GLU HG3 H 1 2.420 0.01 . . . . . . . 46 GLU HG . 50808 1 449 . 1 . 1 46 46 GLU C C 13 175.415 0.02 . . . . . . . 46 GLU C . 50808 1 450 . 1 . 1 46 46 GLU CA C 13 54.563 0.05 . . . . . . . 46 GLU CA . 50808 1 451 . 1 . 1 46 46 GLU CB C 13 33.677 0.03 . . . . . . . 46 GLU CB . 50808 1 452 . 1 . 1 46 46 GLU CG C 13 36.279 0.00 . . . . . . . 46 GLU CG . 50808 1 453 . 1 . 1 46 46 GLU N N 15 123.691 0.03 . . . . . . . 46 GLU N . 50808 1 454 . 1 . 1 47 47 PHE H H 1 9.144 0.00 . . . . . . . 47 PHE H . 50808 1 455 . 1 . 1 47 47 PHE HA H 1 3.819 0.00 . . . . . . . 47 PHE HA . 50808 1 456 . 1 . 1 47 47 PHE HB2 H 1 3.034 0.00 . . . . . . . 47 PHE HB2 . 50808 1 457 . 1 . 1 47 47 PHE HB3 H 1 2.845 0.00 . . . . . . . 47 PHE HB3 . 50808 1 458 . 1 . 1 47 47 PHE HD1 H 1 7.040 0.00 . . . . . . . 47 PHE HD . 50808 1 459 . 1 . 1 47 47 PHE HD2 H 1 7.040 0.00 . . . . . . . 47 PHE HD . 50808 1 460 . 1 . 1 47 47 PHE C C 13 173.940 0.00 . . . . . . . 47 PHE C . 50808 1 461 . 1 . 1 47 47 PHE CA C 13 60.212 0.02 . . . . . . . 47 PHE CA . 50808 1 462 . 1 . 1 47 47 PHE CB C 13 40.062 0.08 . . . . . . . 47 PHE CB . 50808 1 463 . 1 . 1 47 47 PHE N N 15 126.460 0.04 . . . . . . . 47 PHE N . 50808 1 464 . 1 . 1 48 48 VAL H H 1 7.632 0.00 . . . . . . . 48 VAL H . 50808 1 465 . 1 . 1 48 48 VAL HA H 1 3.943 0.00 . . . . . . . 48 VAL HA . 50808 1 466 . 1 . 1 48 48 VAL HB H 1 1.666 0.00 . . . . . . . 48 VAL HB . 50808 1 467 . 1 . 1 48 48 VAL HG11 H 1 0.809 0.00 . . . . . . . 48 VAL HG . 50808 1 468 . 1 . 1 48 48 VAL HG12 H 1 0.809 0.00 . . . . . . . 48 VAL HG . 50808 1 469 . 1 . 1 48 48 VAL HG13 H 1 0.809 0.00 . . . . . . . 48 VAL HG . 50808 1 470 . 1 . 1 48 48 VAL HG21 H 1 0.809 0.00 . . . . . . . 48 VAL HG . 50808 1 471 . 1 . 1 48 48 VAL HG22 H 1 0.809 0.00 . . . . . . . 48 VAL HG . 50808 1 472 . 1 . 1 48 48 VAL HG23 H 1 0.809 0.00 . . . . . . . 48 VAL HG . 50808 1 473 . 1 . 1 48 48 VAL C C 13 172.920 0.02 . . . . . . . 48 VAL C . 50808 1 474 . 1 . 1 48 48 VAL CA C 13 63.708 0.06 . . . . . . . 48 VAL CA . 50808 1 475 . 1 . 1 48 48 VAL CB C 13 33.863 0.04 . . . . . . . 48 VAL CB . 50808 1 476 . 1 . 1 48 48 VAL CG1 C 13 21.637 0.00 . . . . . . . 48 VAL CG1 . 50808 1 477 . 1 . 1 48 48 VAL CG2 C 13 21.637 0.00 . . . . . . . 48 VAL CG2 . 50808 1 478 . 1 . 1 48 48 VAL N N 15 124.643 0.05 . . . . . . . 48 VAL N . 50808 1 479 . 1 . 1 49 49 ALA H H 1 6.761 0.00 . . . . . . . 49 ALA H . 50808 1 480 . 1 . 1 49 49 ALA HA H 1 5.006 0.00 . . . . . . . 49 ALA HA . 50808 1 481 . 1 . 1 49 49 ALA HB1 H 1 1.134 0.00 . . . . . . . 49 ALA HB . 50808 1 482 . 1 . 1 49 49 ALA HB2 H 1 1.134 0.00 . . . . . . . 49 ALA HB . 50808 1 483 . 1 . 1 49 49 ALA HB3 H 1 1.134 0.00 . . . . . . . 49 ALA HB . 50808 1 484 . 1 . 1 49 49 ALA C C 13 175.019 0.01 . . . . . . . 49 ALA C . 50808 1 485 . 1 . 1 49 49 ALA CA C 13 51.369 0.05 . . . . . . . 49 ALA CA . 50808 1 486 . 1 . 1 49 49 ALA CB C 13 24.198 0.03 . . . . . . . 49 ALA CB . 50808 1 487 . 1 . 1 49 49 ALA N N 15 115.645 0.03 . . . . . . . 49 ALA N . 50808 1 488 . 1 . 1 50 50 ARG H H 1 8.833 0.00 . . . . . . . 50 ARG H . 50808 1 489 . 1 . 1 50 50 ARG HA H 1 5.557 0.00 . . . . . . . 50 ARG HA . 50808 1 490 . 1 . 1 50 50 ARG HB2 H 1 1.869 0.00 . . . . . . . 50 ARG HB . 50808 1 491 . 1 . 1 50 50 ARG HB3 H 1 1.869 0.00 . . . . . . . 50 ARG HB . 50808 1 492 . 1 . 1 50 50 ARG HG2 H 1 1.465 0.00 . . . . . . . 50 ARG HG . 50808 1 493 . 1 . 1 50 50 ARG HG3 H 1 1.465 0.00 . . . . . . . 50 ARG HG . 50808 1 494 . 1 . 1 50 50 ARG HD2 H 1 2.610 0.00 . . . . . . . 50 ARG HD . 50808 1 495 . 1 . 1 50 50 ARG HD3 H 1 2.610 0.00 . . . . . . . 50 ARG HD . 50808 1 496 . 1 . 1 50 50 ARG C C 13 173.173 0.02 . . . . . . . 50 ARG C . 50808 1 497 . 1 . 1 50 50 ARG CA C 13 54.245 0.07 . . . . . . . 50 ARG CA . 50808 1 498 . 1 . 1 50 50 ARG CB C 13 33.745 0.12 . . . . . . . 50 ARG CB . 50808 1 499 . 1 . 1 50 50 ARG N N 15 116.567 0.07 . . . . . . . 50 ARG N . 50808 1 500 . 1 . 1 51 51 ILE H H 1 9.410 0.00 . . . . . . . 51 ILE H . 50808 1 501 . 1 . 1 51 51 ILE HA H 1 4.119 0.00 . . . . . . . 51 ILE HA . 50808 1 502 . 1 . 1 51 51 ILE HB H 1 1.662 0.01 . . . . . . . 51 ILE HB . 50808 1 503 . 1 . 1 51 51 ILE HG12 H 1 1.286 0.00 . . . . . . . 51 ILE HG1 . 50808 1 504 . 1 . 1 51 51 ILE HG13 H 1 1.286 0.00 . . . . . . . 51 ILE HG1 . 50808 1 505 . 1 . 1 51 51 ILE HG21 H 1 0.964 0.00 . . . . . . . 51 ILE HG2 . 50808 1 506 . 1 . 1 51 51 ILE HG22 H 1 0.964 0.00 . . . . . . . 51 ILE HG2 . 50808 1 507 . 1 . 1 51 51 ILE HG23 H 1 0.964 0.00 . . . . . . . 51 ILE HG2 . 50808 1 508 . 1 . 1 51 51 ILE HD11 H 1 0.693 0.00 . . . . . . . 51 ILE HD1 . 50808 1 509 . 1 . 1 51 51 ILE HD12 H 1 0.693 0.00 . . . . . . . 51 ILE HD1 . 50808 1 510 . 1 . 1 51 51 ILE HD13 H 1 0.693 0.00 . . . . . . . 51 ILE HD1 . 50808 1 511 . 1 . 1 51 51 ILE C C 13 172.400 0.02 . . . . . . . 51 ILE C . 50808 1 512 . 1 . 1 51 51 ILE CA C 13 59.265 0.08 . . . . . . . 51 ILE CA . 50808 1 513 . 1 . 1 51 51 ILE CB C 13 42.528 0.03 . . . . . . . 51 ILE CB . 50808 1 514 . 1 . 1 51 51 ILE N N 15 121.762 0.06 . . . . . . . 51 ILE N . 50808 1 515 . 1 . 1 52 52 SER H H 1 8.488 0.01 . . . . . . . 52 SER H . 50808 1 516 . 1 . 1 52 52 SER HA H 1 4.352 0.01 . . . . . . . 52 SER HA . 50808 1 517 . 1 . 1 52 52 SER HB2 H 1 4.024 0.00 . . . . . . . 52 SER HB . 50808 1 518 . 1 . 1 52 52 SER HB3 H 1 4.024 0.00 . . . . . . . 52 SER HB . 50808 1 519 . 1 . 1 52 52 SER C C 13 176.168 0.02 . . . . . . . 52 SER C . 50808 1 520 . 1 . 1 52 52 SER CA C 13 58.217 0.06 . . . . . . . 52 SER CA . 50808 1 521 . 1 . 1 52 52 SER CB C 13 65.233 0.04 . . . . . . . 52 SER CB . 50808 1 522 . 1 . 1 52 52 SER N N 15 121.523 0.09 . . . . . . . 52 SER N . 50808 1 523 . 1 . 1 53 53 GLY H H 1 9.298 0.01 . . . . . . . 53 GLY H . 50808 1 524 . 1 . 1 53 53 GLY HA2 H 1 3.730 0.01 . . . . . . . 53 GLY HA2 . 50808 1 525 . 1 . 1 53 53 GLY HA3 H 1 3.405 0.00 . . . . . . . 53 GLY HA3 . 50808 1 526 . 1 . 1 53 53 GLY C C 13 173.456 0.05 . . . . . . . 53 GLY C . 50808 1 527 . 1 . 1 53 53 GLY CA C 13 47.917 0.05 . . . . . . . 53 GLY CA . 50808 1 528 . 1 . 1 53 53 GLY N N 15 111.745 0.04 . . . . . . . 53 GLY N . 50808 1 529 . 1 . 1 54 54 VAL H H 1 7.606 0.01 . . . . . . . 54 VAL H . 50808 1 530 . 1 . 1 54 54 VAL HA H 1 4.154 0.00 . . . . . . . 54 VAL HA . 50808 1 531 . 1 . 1 54 54 VAL HB H 1 2.309 0.00 . . . . . . . 54 VAL HB . 50808 1 532 . 1 . 1 54 54 VAL HG11 H 1 0.964 0.00 . . . . . . . 54 VAL HG . 50808 1 533 . 1 . 1 54 54 VAL HG12 H 1 0.964 0.00 . . . . . . . 54 VAL HG . 50808 1 534 . 1 . 1 54 54 VAL HG13 H 1 0.964 0.00 . . . . . . . 54 VAL HG . 50808 1 535 . 1 . 1 54 54 VAL HG21 H 1 0.964 0.00 . . . . . . . 54 VAL HG . 50808 1 536 . 1 . 1 54 54 VAL HG22 H 1 0.964 0.00 . . . . . . . 54 VAL HG . 50808 1 537 . 1 . 1 54 54 VAL HG23 H 1 0.964 0.00 . . . . . . . 54 VAL HG . 50808 1 538 . 1 . 1 54 54 VAL C C 13 177.484 0.03 . . . . . . . 54 VAL C . 50808 1 539 . 1 . 1 54 54 VAL CA C 13 62.094 0.04 . . . . . . . 54 VAL CA . 50808 1 540 . 1 . 1 54 54 VAL CB C 13 31.913 0.02 . . . . . . . 54 VAL CB . 50808 1 541 . 1 . 1 54 54 VAL CG1 C 13 21.638 0.00 . . . . . . . 54 VAL CG1 . 50808 1 542 . 1 . 1 54 54 VAL CG2 C 13 20.124 0.00 . . . . . . . 54 VAL CG2 . 50808 1 543 . 1 . 1 54 54 VAL N N 15 111.012 0.07 . . . . . . . 54 VAL N . 50808 1 544 . 1 . 1 55 55 GLY H H 1 7.879 0.00 . . . . . . . 55 GLY H . 50808 1 545 . 1 . 1 55 55 GLY HA2 H 1 4.363 0.00 . . . . . . . 55 GLY HA2 . 50808 1 546 . 1 . 1 55 55 GLY HA3 H 1 3.567 0.00 . . . . . . . 55 GLY HA3 . 50808 1 547 . 1 . 1 55 55 GLY C C 13 173.977 0.00 . . . . . . . 55 GLY C . 50808 1 548 . 1 . 1 55 55 GLY CA C 13 45.376 0.04 . . . . . . . 55 GLY CA . 50808 1 549 . 1 . 1 55 55 GLY N N 15 108.505 0.06 . . . . . . . 55 GLY N . 50808 1 550 . 1 . 1 56 56 THR H H 1 7.472 0.01 . . . . . . . 56 THR H . 50808 1 551 . 1 . 1 56 56 THR HA H 1 4.425 0.00 . . . . . . . 56 THR HA . 50808 1 552 . 1 . 1 56 56 THR HB H 1 3.962 0.00 . . . . . . . 56 THR HB . 50808 1 553 . 1 . 1 56 56 THR C C 13 173.525 0.00 . . . . . . . 56 THR C . 50808 1 554 . 1 . 1 56 56 THR CA C 13 61.038 0.06 . . . . . . . 56 THR CA . 50808 1 555 . 1 . 1 56 56 THR CB C 13 70.161 0.00 . . . . . . . 56 THR CB . 50808 1 556 . 1 . 1 56 56 THR N N 15 108.729 0.07 . . . . . . . 56 THR N . 50808 1 557 . 1 . 1 57 57 ASN HA H 1 5.002 0.01 . . . . . . . 57 ASN HA . 50808 1 558 . 1 . 1 57 57 ASN HB2 H 1 2.870 0.00 . . . . . . . 57 ASN HB2 . 50808 1 559 . 1 . 1 57 57 ASN HB3 H 1 2.691 0.01 . . . . . . . 57 ASN HB3 . 50808 1 560 . 1 . 1 57 57 ASN C C 13 176.396 0.00 . . . . . . . 57 ASN C . 50808 1 561 . 1 . 1 57 57 ASN CA C 13 53.736 0.04 . . . . . . . 57 ASN CA . 50808 1 562 . 1 . 1 57 57 ASN CB C 13 39.953 0.11 . . . . . . . 57 ASN CB . 50808 1 563 . 1 . 1 58 58 THR H H 1 8.397 0.00 . . . . . . . 58 THR H . 50808 1 564 . 1 . 1 58 58 THR HA H 1 5.101 0.01 . . . . . . . 58 THR HA . 50808 1 565 . 1 . 1 58 58 THR HB H 1 3.899 0.00 . . . . . . . 58 THR HB . 50808 1 566 . 1 . 1 58 58 THR HG21 H 1 1.242 0.00 . . . . . . . 58 THR HG2 . 50808 1 567 . 1 . 1 58 58 THR HG22 H 1 1.242 0.00 . . . . . . . 58 THR HG2 . 50808 1 568 . 1 . 1 58 58 THR HG23 H 1 1.242 0.00 . . . . . . . 58 THR HG2 . 50808 1 569 . 1 . 1 58 58 THR C C 13 174.106 0.02 . . . . . . . 58 THR C . 50808 1 570 . 1 . 1 58 58 THR CA C 13 60.087 0.08 . . . . . . . 58 THR CA . 50808 1 571 . 1 . 1 58 58 THR CB C 13 72.086 0.09 . . . . . . . 58 THR CB . 50808 1 572 . 1 . 1 58 58 THR CG2 C 13 22.921 0.00 . . . . . . . 58 THR CG2 . 50808 1 573 . 1 . 1 58 58 THR N N 15 112.449 0.08 . . . . . . . 58 THR N . 50808 1 574 . 1 . 1 59 59 TYR H H 1 7.799 0.01 . . . . . . . 59 TYR H . 50808 1 575 . 1 . 1 59 59 TYR HA H 1 4.829 0.00 . . . . . . . 59 TYR HA . 50808 1 576 . 1 . 1 59 59 TYR HB2 H 1 3.199 0.00 . . . . . . . 59 TYR HB2 . 50808 1 577 . 1 . 1 59 59 TYR HB3 H 1 2.500 0.00 . . . . . . . 59 TYR HB3 . 50808 1 578 . 1 . 1 59 59 TYR HD1 H 1 7.012 0.00 . . . . . . . 59 TYR HD . 50808 1 579 . 1 . 1 59 59 TYR HD2 H 1 7.012 0.00 . . . . . . . 59 TYR HD . 50808 1 580 . 1 . 1 59 59 TYR HE1 H 1 6.720 0.00 . . . . . . . 59 TYR HE . 50808 1 581 . 1 . 1 59 59 TYR HE2 H 1 6.720 0.00 . . . . . . . 59 TYR HE . 50808 1 582 . 1 . 1 59 59 TYR C C 13 172.883 0.00 . . . . . . . 59 TYR C . 50808 1 583 . 1 . 1 59 59 TYR CA C 13 58.130 0.03 . . . . . . . 59 TYR CA . 50808 1 584 . 1 . 1 59 59 TYR CB C 13 42.640 0.05 . . . . . . . 59 TYR CB . 50808 1 585 . 1 . 1 59 59 TYR N N 15 120.528 0.08 . . . . . . . 59 TYR N . 50808 1 586 . 1 . 1 60 60 TYR H H 1 8.034 0.00 . . . . . . . 60 TYR H . 50808 1 587 . 1 . 1 60 60 TYR HA H 1 4.974 0.01 . . . . . . . 60 TYR HA . 50808 1 588 . 1 . 1 60 60 TYR HB2 H 1 2.935 0.00 . . . . . . . 60 TYR HB2 . 50808 1 589 . 1 . 1 60 60 TYR HB3 H 1 2.454 0.01 . . . . . . . 60 TYR HB3 . 50808 1 590 . 1 . 1 60 60 TYR HD1 H 1 7.175 0.01 . . . . . . . 60 TYR HD . 50808 1 591 . 1 . 1 60 60 TYR HD2 H 1 7.175 0.01 . . . . . . . 60 TYR HD . 50808 1 592 . 1 . 1 60 60 TYR HE1 H 1 6.720 0.00 . . . . . . . 60 TYR HE . 50808 1 593 . 1 . 1 60 60 TYR HE2 H 1 6.720 0.00 . . . . . . . 60 TYR HE . 50808 1 594 . 1 . 1 60 60 TYR C C 13 174.581 0.03 . . . . . . . 60 TYR C . 50808 1 595 . 1 . 1 60 60 TYR CA C 13 56.705 0.06 . . . . . . . 60 TYR CA . 50808 1 596 . 1 . 1 60 60 TYR CB C 13 42.604 0.10 . . . . . . . 60 TYR CB . 50808 1 597 . 1 . 1 60 60 TYR CD1 C 13 133.290 0.00 . . . . . . . 60 TYR CD . 50808 1 598 . 1 . 1 60 60 TYR CD2 C 13 133.290 0.00 . . . . . . . 60 TYR CD . 50808 1 599 . 1 . 1 60 60 TYR N N 15 123.731 0.04 . . . . . . . 60 TYR N . 50808 1 600 . 1 . 1 61 61 THR H H 1 7.816 0.00 . . . . . . . 61 THR H . 50808 1 601 . 1 . 1 61 61 THR HA H 1 4.322 0.00 . . . . . . . 61 THR HA . 50808 1 602 . 1 . 1 61 61 THR HB H 1 4.122 0.01 . . . . . . . 61 THR HB . 50808 1 603 . 1 . 1 61 61 THR HG21 H 1 1.549 0.00 . . . . . . . 61 THR HG2 . 50808 1 604 . 1 . 1 61 61 THR HG22 H 1 1.549 0.00 . . . . . . . 61 THR HG2 . 50808 1 605 . 1 . 1 61 61 THR HG23 H 1 1.549 0.00 . . . . . . . 61 THR HG2 . 50808 1 606 . 1 . 1 61 61 THR C C 13 175.294 0.02 . . . . . . . 61 THR C . 50808 1 607 . 1 . 1 61 61 THR CA C 13 61.722 0.10 . . . . . . . 61 THR CA . 50808 1 608 . 1 . 1 61 61 THR CB C 13 69.441 0.10 . . . . . . . 61 THR CB . 50808 1 609 . 1 . 1 61 61 THR CG2 C 13 22.846 0.00 . . . . . . . 61 THR CG2 . 50808 1 610 . 1 . 1 61 61 THR N N 15 114.904 0.05 . . . . . . . 61 THR N . 50808 1 611 . 1 . 1 62 62 ASP H H 1 8.732 0.00 . . . . . . . 62 ASP H . 50808 1 612 . 1 . 1 62 62 ASP HB2 H 1 2.783 0.00 . . . . . . . 62 ASP HB . 50808 1 613 . 1 . 1 62 62 ASP HB3 H 1 2.783 0.00 . . . . . . . 62 ASP HB . 50808 1 614 . 1 . 1 62 62 ASP C C 13 179.117 0.00 . . . . . . . 62 ASP C . 50808 1 615 . 1 . 1 62 62 ASP CA C 13 58.538 0.02 . . . . . . . 62 ASP CA . 50808 1 616 . 1 . 1 62 62 ASP CB C 13 40.835 0.00 . . . . . . . 62 ASP CB . 50808 1 617 . 1 . 1 62 62 ASP N N 15 125.928 0.09 . . . . . . . 62 ASP N . 50808 1 618 . 1 . 1 63 63 SER HA H 1 4.296 0.00 . . . . . . . 63 SER HA . 50808 1 619 . 1 . 1 63 63 SER HB2 H 1 3.987 0.00 . . . . . . . 63 SER HB . 50808 1 620 . 1 . 1 63 63 SER HB3 H 1 3.987 0.00 . . . . . . . 63 SER HB . 50808 1 621 . 1 . 1 63 63 SER CA C 13 61.242 0.00 . . . . . . . 63 SER CA . 50808 1 622 . 1 . 1 63 63 SER CB C 13 62.885 0.00 . . . . . . . 63 SER CB . 50808 1 623 . 1 . 1 64 64 VAL H H 1 7.285 0.00 . . . . . . . 64 VAL H . 50808 1 624 . 1 . 1 64 64 VAL HA H 1 4.569 0.00 . . . . . . . 64 VAL HA . 50808 1 625 . 1 . 1 64 64 VAL HB H 1 2.449 0.00 . . . . . . . 64 VAL HB . 50808 1 626 . 1 . 1 64 64 VAL HG11 H 1 1.026 0.00 . . . . . . . 64 VAL HG1 . 50808 1 627 . 1 . 1 64 64 VAL HG12 H 1 1.026 0.00 . . . . . . . 64 VAL HG1 . 50808 1 628 . 1 . 1 64 64 VAL HG13 H 1 1.026 0.00 . . . . . . . 64 VAL HG1 . 50808 1 629 . 1 . 1 64 64 VAL HG21 H 1 0.800 0.00 . . . . . . . 64 VAL HG2 . 50808 1 630 . 1 . 1 64 64 VAL HG22 H 1 0.800 0.00 . . . . . . . 64 VAL HG2 . 50808 1 631 . 1 . 1 64 64 VAL HG23 H 1 0.800 0.00 . . . . . . . 64 VAL HG2 . 50808 1 632 . 1 . 1 64 64 VAL C C 13 175.218 0.00 . . . . . . . 64 VAL C . 50808 1 633 . 1 . 1 64 64 VAL CA C 13 60.608 0.07 . . . . . . . 64 VAL CA . 50808 1 634 . 1 . 1 64 64 VAL CB C 13 31.869 0.03 . . . . . . . 64 VAL CB . 50808 1 635 . 1 . 1 64 64 VAL CG1 C 13 19.803 0.00 . . . . . . . 64 VAL CG1 . 50808 1 636 . 1 . 1 64 64 VAL CG2 C 13 18.909 0.00 . . . . . . . 64 VAL CG2 . 50808 1 637 . 1 . 1 64 64 VAL N N 15 110.693 0.04 . . . . . . . 64 VAL N . 50808 1 638 . 1 . 1 65 65 LYS H H 1 7.314 0.00 . . . . . . . 65 LYS H . 50808 1 639 . 1 . 1 65 65 LYS HA H 1 3.710 0.00 . . . . . . . 65 LYS HA . 50808 1 640 . 1 . 1 65 65 LYS HB2 H 1 1.827 0.00 . . . . . . . 65 LYS HB . 50808 1 641 . 1 . 1 65 65 LYS HB3 H 1 1.827 0.00 . . . . . . . 65 LYS HB . 50808 1 642 . 1 . 1 65 65 LYS HE2 H 1 3.055 0.00 . . . . . . . 65 LYS HE . 50808 1 643 . 1 . 1 65 65 LYS HE3 H 1 3.055 0.00 . . . . . . . 65 LYS HE . 50808 1 644 . 1 . 1 65 65 LYS C C 13 177.599 0.01 . . . . . . . 65 LYS C . 50808 1 645 . 1 . 1 65 65 LYS CA C 13 58.747 0.04 . . . . . . . 65 LYS CA . 50808 1 646 . 1 . 1 65 65 LYS CB C 13 32.490 0.05 . . . . . . . 65 LYS CB . 50808 1 647 . 1 . 1 65 65 LYS CG C 13 25.130 0.00 . . . . . . . 65 LYS CG . 50808 1 648 . 1 . 1 65 65 LYS N N 15 123.974 0.08 . . . . . . . 65 LYS N . 50808 1 649 . 1 . 1 66 66 GLY H H 1 9.021 0.01 . . . . . . . 66 GLY H . 50808 1 650 . 1 . 1 66 66 GLY HA2 H 1 4.302 0.00 . . . . . . . 66 GLY HA2 . 50808 1 651 . 1 . 1 66 66 GLY HA3 H 1 3.598 0.00 . . . . . . . 66 GLY HA3 . 50808 1 652 . 1 . 1 66 66 GLY C C 13 174.488 0.05 . . . . . . . 66 GLY C . 50808 1 653 . 1 . 1 66 66 GLY CA C 13 45.404 0.05 . . . . . . . 66 GLY CA . 50808 1 654 . 1 . 1 66 66 GLY N N 15 114.623 0.04 . . . . . . . 66 GLY N . 50808 1 655 . 1 . 1 67 67 ARG H H 1 7.880 0.00 . . . . . . . 67 ARG H . 50808 1 656 . 1 . 1 67 67 ARG HA H 1 4.603 0.00 . . . . . . . 67 ARG HA . 50808 1 657 . 1 . 1 67 67 ARG HB2 H 1 1.960 0.00 . . . . . . . 67 ARG HB2 . 50808 1 658 . 1 . 1 67 67 ARG HB3 H 1 1.732 0.01 . . . . . . . 67 ARG HB3 . 50808 1 659 . 1 . 1 67 67 ARG HG2 H 1 1.460 0.00 . . . . . . . 67 ARG HG . 50808 1 660 . 1 . 1 67 67 ARG HG3 H 1 1.460 0.00 . . . . . . . 67 ARG HG . 50808 1 661 . 1 . 1 67 67 ARG HD2 H 1 3.278 0.00 . . . . . . . 67 ARG HD . 50808 1 662 . 1 . 1 67 67 ARG HD3 H 1 3.278 0.00 . . . . . . . 67 ARG HD . 50808 1 663 . 1 . 1 67 67 ARG C C 13 176.292 0.06 . . . . . . . 67 ARG C . 50808 1 664 . 1 . 1 67 67 ARG CA C 13 56.422 0.04 . . . . . . . 67 ARG CA . 50808 1 665 . 1 . 1 67 67 ARG CB C 13 31.444 0.04 . . . . . . . 67 ARG CB . 50808 1 666 . 1 . 1 67 67 ARG CG C 13 28.091 0.00 . . . . . . . 67 ARG CG . 50808 1 667 . 1 . 1 67 67 ARG N N 15 117.065 0.03 . . . . . . . 67 ARG N . 50808 1 668 . 1 . 1 68 68 VAL H H 1 6.968 0.00 . . . . . . . 68 VAL H . 50808 1 669 . 1 . 1 68 68 VAL HA H 1 5.396 0.00 . . . . . . . 68 VAL HA . 50808 1 670 . 1 . 1 68 68 VAL HB H 1 1.798 0.00 . . . . . . . 68 VAL HB . 50808 1 671 . 1 . 1 68 68 VAL HG11 H 1 0.794 0.00 . . . . . . . 68 VAL HG . 50808 1 672 . 1 . 1 68 68 VAL HG12 H 1 0.794 0.00 . . . . . . . 68 VAL HG . 50808 1 673 . 1 . 1 68 68 VAL HG13 H 1 0.794 0.00 . . . . . . . 68 VAL HG . 50808 1 674 . 1 . 1 68 68 VAL HG21 H 1 0.794 0.00 . . . . . . . 68 VAL HG . 50808 1 675 . 1 . 1 68 68 VAL HG22 H 1 0.794 0.00 . . . . . . . 68 VAL HG . 50808 1 676 . 1 . 1 68 68 VAL HG23 H 1 0.794 0.00 . . . . . . . 68 VAL HG . 50808 1 677 . 1 . 1 68 68 VAL C C 13 174.096 0.04 . . . . . . . 68 VAL C . 50808 1 678 . 1 . 1 68 68 VAL CA C 13 58.275 0.06 . . . . . . . 68 VAL CA . 50808 1 679 . 1 . 1 68 68 VAL CB C 13 34.949 0.10 . . . . . . . 68 VAL CB . 50808 1 680 . 1 . 1 68 68 VAL CG1 C 13 21.854 0.00 . . . . . . . 68 VAL CG1 . 50808 1 681 . 1 . 1 68 68 VAL CG2 C 13 21.854 0.00 . . . . . . . 68 VAL CG2 . 50808 1 682 . 1 . 1 68 68 VAL N N 15 114.534 0.04 . . . . . . . 68 VAL N . 50808 1 683 . 1 . 1 69 69 THR H H 1 8.652 0.00 . . . . . . . 69 THR H . 50808 1 684 . 1 . 1 69 69 THR HA H 1 5.003 0.00 . . . . . . . 69 THR HA . 50808 1 685 . 1 . 1 69 69 THR HB H 1 3.788 0.00 . . . . . . . 69 THR HB . 50808 1 686 . 1 . 1 69 69 THR HG21 H 1 1.160 0.00 . . . . . . . 69 THR HG2 . 50808 1 687 . 1 . 1 69 69 THR HG22 H 1 1.160 0.00 . . . . . . . 69 THR HG2 . 50808 1 688 . 1 . 1 69 69 THR HG23 H 1 1.160 0.00 . . . . . . . 69 THR HG2 . 50808 1 689 . 1 . 1 69 69 THR C C 13 174.058 0.00 . . . . . . . 69 THR C . 50808 1 690 . 1 . 1 69 69 THR CA C 13 61.229 0.08 . . . . . . . 69 THR CA . 50808 1 691 . 1 . 1 69 69 THR CB C 13 72.421 0.05 . . . . . . . 69 THR CB . 50808 1 692 . 1 . 1 69 69 THR CG2 C 13 21.623 0.00 . . . . . . . 69 THR CG2 . 50808 1 693 . 1 . 1 69 69 THR N N 15 116.350 0.03 . . . . . . . 69 THR N . 50808 1 694 . 1 . 1 70 70 ILE H H 1 9.184 0.00 . . . . . . . 70 ILE H . 50808 1 695 . 1 . 1 70 70 ILE HA H 1 5.478 0.00 . . . . . . . 70 ILE HA . 50808 1 696 . 1 . 1 70 70 ILE HB H 1 1.501 0.00 . . . . . . . 70 ILE HB . 50808 1 697 . 1 . 1 70 70 ILE HG12 H 1 1.094 0.00 . . . . . . . 70 ILE HG1 . 50808 1 698 . 1 . 1 70 70 ILE HG13 H 1 1.094 0.00 . . . . . . . 70 ILE HG1 . 50808 1 699 . 1 . 1 70 70 ILE C C 13 171.334 0.00 . . . . . . . 70 ILE C . 50808 1 700 . 1 . 1 70 70 ILE CA C 13 58.419 0.02 . . . . . . . 70 ILE CA . 50808 1 701 . 1 . 1 70 70 ILE CB C 13 41.814 0.04 . . . . . . . 70 ILE CB . 50808 1 702 . 1 . 1 70 70 ILE N N 15 131.234 0.06 . . . . . . . 70 ILE N . 50808 1 703 . 1 . 1 71 71 SER H H 1 8.588 0.00 . . . . . . . 71 SER H . 50808 1 704 . 1 . 1 71 71 SER HA H 1 4.647 0.00 . . . . . . . 71 SER HA . 50808 1 705 . 1 . 1 71 71 SER HB2 H 1 4.053 0.00 . . . . . . . 71 SER HB2 . 50808 1 706 . 1 . 1 71 71 SER HB3 H 1 3.886 0.00 . . . . . . . 71 SER HB3 . 50808 1 707 . 1 . 1 71 71 SER C C 13 172.158 0.01 . . . . . . . 71 SER C . 50808 1 708 . 1 . 1 71 71 SER CA C 13 57.954 0.06 . . . . . . . 71 SER CA . 50808 1 709 . 1 . 1 71 71 SER CB C 13 65.593 0.04 . . . . . . . 71 SER CB . 50808 1 710 . 1 . 1 71 71 SER N N 15 118.839 0.05 . . . . . . . 71 SER N . 50808 1 711 . 1 . 1 72 72 ARG H H 1 9.370 0.00 . . . . . . . 72 ARG H . 50808 1 712 . 1 . 1 72 72 ARG HA H 1 5.399 0.00 . . . . . . . 72 ARG HA . 50808 1 713 . 1 . 1 72 72 ARG HB2 H 1 2.352 0.01 . . . . . . . 72 ARG HB . 50808 1 714 . 1 . 1 72 72 ARG HB3 H 1 2.352 0.01 . . . . . . . 72 ARG HB . 50808 1 715 . 1 . 1 72 72 ARG HG2 H 1 1.727 0.00 . . . . . . . 72 ARG HG2 . 50808 1 716 . 1 . 1 72 72 ARG HG3 H 1 1.538 0.00 . . . . . . . 72 ARG HG3 . 50808 1 717 . 1 . 1 72 72 ARG HD2 H 1 3.287 0.00 . . . . . . . 72 ARG HD . 50808 1 718 . 1 . 1 72 72 ARG HD3 H 1 3.287 0.00 . . . . . . . 72 ARG HD . 50808 1 719 . 1 . 1 72 72 ARG C C 13 172.662 0.01 . . . . . . . 72 ARG C . 50808 1 720 . 1 . 1 72 72 ARG CA C 13 55.024 0.06 . . . . . . . 72 ARG CA . 50808 1 721 . 1 . 1 72 72 ARG CB C 13 35.426 0.05 . . . . . . . 72 ARG CB . 50808 1 722 . 1 . 1 72 72 ARG N N 15 116.031 0.03 . . . . . . . 72 ARG N . 50808 1 723 . 1 . 1 73 73 ASP H H 1 9.046 0.00 . . . . . . . 73 ASP H . 50808 1 724 . 1 . 1 73 73 ASP HA H 1 5.069 0.01 . . . . . . . 73 ASP HA . 50808 1 725 . 1 . 1 73 73 ASP HB2 H 1 3.083 0.00 . . . . . . . 73 ASP HB2 . 50808 1 726 . 1 . 1 73 73 ASP HB3 H 1 2.643 0.00 . . . . . . . 73 ASP HB3 . 50808 1 727 . 1 . 1 73 73 ASP C C 13 177.318 0.00 . . . . . . . 73 ASP C . 50808 1 728 . 1 . 1 73 73 ASP CA C 13 52.374 0.04 . . . . . . . 73 ASP CA . 50808 1 729 . 1 . 1 73 73 ASP CB C 13 42.503 0.03 . . . . . . . 73 ASP CB . 50808 1 730 . 1 . 1 73 73 ASP N N 15 120.420 0.09 . . . . . . . 73 ASP N . 50808 1 731 . 1 . 1 74 74 ASN H H 1 9.516 0.01 . . . . . . . 74 ASN H . 50808 1 732 . 1 . 1 74 74 ASN HA H 1 5.029 0.01 . . . . . . . 74 ASN HA . 50808 1 733 . 1 . 1 74 74 ASN HB2 H 1 3.173 0.00 . . . . . . . 74 ASN HB2 . 50808 1 734 . 1 . 1 74 74 ASN HB3 H 1 2.983 0.01 . . . . . . . 74 ASN HB3 . 50808 1 735 . 1 . 1 74 74 ASN C C 13 177.122 0.00 . . . . . . . 74 ASN C . 50808 1 736 . 1 . 1 74 74 ASN CA C 13 55.424 0.08 . . . . . . . 74 ASN CA . 50808 1 737 . 1 . 1 74 74 ASN CB C 13 37.200 0.08 . . . . . . . 74 ASN CB . 50808 1 738 . 1 . 1 74 74 ASN N N 15 124.594 0.10 . . . . . . . 74 ASN N . 50808 1 739 . 1 . 1 75 75 ALA H H 1 8.555 0.00 . . . . . . . 75 ALA H . 50808 1 740 . 1 . 1 75 75 ALA HA H 1 4.457 0.00 . . . . . . . 75 ALA HA . 50808 1 741 . 1 . 1 75 75 ALA HB1 H 1 1.582 0.00 . . . . . . . 75 ALA HB . 50808 1 742 . 1 . 1 75 75 ALA HB2 H 1 1.582 0.00 . . . . . . . 75 ALA HB . 50808 1 743 . 1 . 1 75 75 ALA HB3 H 1 1.582 0.00 . . . . . . . 75 ALA HB . 50808 1 744 . 1 . 1 75 75 ALA C C 13 178.937 0.02 . . . . . . . 75 ALA C . 50808 1 745 . 1 . 1 75 75 ALA CA C 13 54.099 0.05 . . . . . . . 75 ALA CA . 50808 1 746 . 1 . 1 75 75 ALA CB C 13 18.736 0.09 . . . . . . . 75 ALA CB . 50808 1 747 . 1 . 1 75 75 ALA N N 15 122.782 0.05 . . . . . . . 75 ALA N . 50808 1 748 . 1 . 1 76 76 LYS H H 1 7.276 0.00 . . . . . . . 76 LYS H . 50808 1 749 . 1 . 1 76 76 LYS HA H 1 4.457 0.00 . . . . . . . 76 LYS HA . 50808 1 750 . 1 . 1 76 76 LYS HB2 H 1 2.061 0.00 . . . . . . . 76 LYS HB2 . 50808 1 751 . 1 . 1 76 76 LYS HB3 H 1 1.436 0.01 . . . . . . . 76 LYS HB3 . 50808 1 752 . 1 . 1 76 76 LYS HG2 H 1 1.338 0.00 . . . . . . . 76 LYS HG . 50808 1 753 . 1 . 1 76 76 LYS HG3 H 1 1.338 0.00 . . . . . . . 76 LYS HG . 50808 1 754 . 1 . 1 76 76 LYS C C 13 176.234 0.00 . . . . . . . 76 LYS C . 50808 1 755 . 1 . 1 76 76 LYS CA C 13 54.984 0.02 . . . . . . . 76 LYS CA . 50808 1 756 . 1 . 1 76 76 LYS CB C 13 33.840 0.03 . . . . . . . 76 LYS CB . 50808 1 757 . 1 . 1 76 76 LYS CG C 13 25.402 0.00 . . . . . . . 76 LYS CG . 50808 1 758 . 1 . 1 76 76 LYS CD C 13 28.490 0.00 . . . . . . . 76 LYS CD . 50808 1 759 . 1 . 1 76 76 LYS N N 15 115.130 0.04 . . . . . . . 76 LYS N . 50808 1 760 . 1 . 1 77 77 ASN H H 1 7.816 0.00 . . . . . . . 77 ASN H . 50808 1 761 . 1 . 1 77 77 ASN HA H 1 5.335 0.00 . . . . . . . 77 ASN HA . 50808 1 762 . 1 . 1 77 77 ASN HB2 H 1 3.136 0.00 . . . . . . . 77 ASN HB2 . 50808 1 763 . 1 . 1 77 77 ASN HB3 H 1 2.658 0.00 . . . . . . . 77 ASN HB3 . 50808 1 764 . 1 . 1 77 77 ASN C C 13 172.483 0.00 . . . . . . . 77 ASN C . 50808 1 765 . 1 . 1 77 77 ASN CA C 13 53.794 0.12 . . . . . . . 77 ASN CA . 50808 1 766 . 1 . 1 77 77 ASN CB C 13 36.768 0.06 . . . . . . . 77 ASN CB . 50808 1 767 . 1 . 1 77 77 ASN N N 15 120.961 0.06 . . . . . . . 77 ASN N . 50808 1 768 . 1 . 1 78 78 THR H H 1 7.271 0.00 . . . . . . . 78 THR H . 50808 1 769 . 1 . 1 78 78 THR HA H 1 5.403 0.00 . . . . . . . 78 THR HA . 50808 1 770 . 1 . 1 78 78 THR HB H 1 3.420 0.00 . . . . . . . 78 THR HB . 50808 1 771 . 1 . 1 78 78 THR HG21 H 1 0.607 0.00 . . . . . . . 78 THR HG2 . 50808 1 772 . 1 . 1 78 78 THR HG22 H 1 0.607 0.00 . . . . . . . 78 THR HG2 . 50808 1 773 . 1 . 1 78 78 THR HG23 H 1 0.607 0.00 . . . . . . . 78 THR HG2 . 50808 1 774 . 1 . 1 78 78 THR C C 13 172.472 0.02 . . . . . . . 78 THR C . 50808 1 775 . 1 . 1 78 78 THR CA C 13 60.894 0.06 . . . . . . . 78 THR CA . 50808 1 776 . 1 . 1 78 78 THR CB C 13 73.131 0.03 . . . . . . . 78 THR CB . 50808 1 777 . 1 . 1 78 78 THR CG2 C 13 19.960 0.00 . . . . . . . 78 THR CG2 . 50808 1 778 . 1 . 1 78 78 THR N N 15 108.035 0.06 . . . . . . . 78 THR N . 50808 1 779 . 1 . 1 79 79 VAL H H 1 8.706 0.01 . . . . . . . 79 VAL H . 50808 1 780 . 1 . 1 79 79 VAL HA H 1 4.754 0.00 . . . . . . . 79 VAL HA . 50808 1 781 . 1 . 1 79 79 VAL HB H 1 1.953 0.00 . . . . . . . 79 VAL HB . 50808 1 782 . 1 . 1 79 79 VAL HG11 H 1 1.135 0.00 . . . . . . . 79 VAL HG . 50808 1 783 . 1 . 1 79 79 VAL HG12 H 1 1.135 0.00 . . . . . . . 79 VAL HG . 50808 1 784 . 1 . 1 79 79 VAL HG13 H 1 1.135 0.00 . . . . . . . 79 VAL HG . 50808 1 785 . 1 . 1 79 79 VAL HG21 H 1 1.135 0.00 . . . . . . . 79 VAL HG . 50808 1 786 . 1 . 1 79 79 VAL HG22 H 1 1.135 0.00 . . . . . . . 79 VAL HG . 50808 1 787 . 1 . 1 79 79 VAL HG23 H 1 1.135 0.00 . . . . . . . 79 VAL HG . 50808 1 788 . 1 . 1 79 79 VAL C C 13 172.710 0.02 . . . . . . . 79 VAL C . 50808 1 789 . 1 . 1 79 79 VAL CA C 13 59.491 0.06 . . . . . . . 79 VAL CA . 50808 1 790 . 1 . 1 79 79 VAL CB C 13 35.321 0.07 . . . . . . . 79 VAL CB . 50808 1 791 . 1 . 1 79 79 VAL CG1 C 13 22.901 0.00 . . . . . . . 79 VAL CG1 . 50808 1 792 . 1 . 1 79 79 VAL CG2 C 13 22.901 0.00 . . . . . . . 79 VAL CG2 . 50808 1 793 . 1 . 1 79 79 VAL N N 15 124.074 0.13 . . . . . . . 79 VAL N . 50808 1 794 . 1 . 1 80 80 TYR H H 1 9.210 0.00 . . . . . . . 80 TYR H . 50808 1 795 . 1 . 1 80 80 TYR HA H 1 5.666 0.00 . . . . . . . 80 TYR HA . 50808 1 796 . 1 . 1 80 80 TYR HB2 H 1 2.889 0.00 . . . . . . . 80 TYR HB2 . 50808 1 797 . 1 . 1 80 80 TYR HB3 H 1 2.763 0.01 . . . . . . . 80 TYR HB3 . 50808 1 798 . 1 . 1 80 80 TYR HD1 H 1 6.954 0.00 . . . . . . . 80 TYR HD . 50808 1 799 . 1 . 1 80 80 TYR HD2 H 1 6.954 0.00 . . . . . . . 80 TYR HD . 50808 1 800 . 1 . 1 80 80 TYR HE1 H 1 6.689 0.00 . . . . . . . 80 TYR HE . 50808 1 801 . 1 . 1 80 80 TYR HE2 H 1 6.689 0.00 . . . . . . . 80 TYR HE . 50808 1 802 . 1 . 1 80 80 TYR C C 13 175.413 0.00 . . . . . . . 80 TYR C . 50808 1 803 . 1 . 1 80 80 TYR CA C 13 56.871 0.06 . . . . . . . 80 TYR CA . 50808 1 804 . 1 . 1 80 80 TYR CB C 13 42.079 0.07 . . . . . . . 80 TYR CB . 50808 1 805 . 1 . 1 80 80 TYR N N 15 124.028 0.04 . . . . . . . 80 TYR N . 50808 1 806 . 1 . 1 81 81 LEU H H 1 8.604 0.00 . . . . . . . 81 LEU H . 50808 1 807 . 1 . 1 81 81 LEU HA H 1 4.635 0.00 . . . . . . . 81 LEU HA . 50808 1 808 . 1 . 1 81 81 LEU HB2 H 1 0.781 0.00 . . . . . . . 81 LEU HB2 . 50808 1 809 . 1 . 1 81 81 LEU HB3 H 1 0.455 0.00 . . . . . . . 81 LEU HB3 . 50808 1 810 . 1 . 1 81 81 LEU HG H 1 0.246 0.00 . . . . . . . 81 LEU HG . 50808 1 811 . 1 . 1 81 81 LEU HD11 H 1 -0.479 0.00 . . . . . . . 81 LEU HD1 . 50808 1 812 . 1 . 1 81 81 LEU HD12 H 1 -0.479 0.00 . . . . . . . 81 LEU HD1 . 50808 1 813 . 1 . 1 81 81 LEU HD13 H 1 -0.479 0.00 . . . . . . . 81 LEU HD1 . 50808 1 814 . 1 . 1 81 81 LEU HD21 H 1 -0.677 0.00 . . . . . . . 81 LEU HD2 . 50808 1 815 . 1 . 1 81 81 LEU HD22 H 1 -0.677 0.00 . . . . . . . 81 LEU HD2 . 50808 1 816 . 1 . 1 81 81 LEU HD23 H 1 -0.677 0.00 . . . . . . . 81 LEU HD2 . 50808 1 817 . 1 . 1 81 81 LEU C C 13 174.373 0.00 . . . . . . . 81 LEU C . 50808 1 818 . 1 . 1 81 81 LEU CA C 13 53.898 0.04 . . . . . . . 81 LEU CA . 50808 1 819 . 1 . 1 81 81 LEU CB C 13 42.053 2.02 . . . . . . . 81 LEU CB . 50808 1 820 . 1 . 1 81 81 LEU CG C 13 27.394 0.00 . . . . . . . 81 LEU CG . 50808 1 821 . 1 . 1 81 81 LEU N N 15 122.477 0.07 . . . . . . . 81 LEU N . 50808 1 822 . 1 . 1 82 82 GLN H H 1 8.809 0.15 . . . . . . . 82 GLN H . 50808 1 823 . 1 . 1 82 82 GLN HA H 1 4.482 0.00 . . . . . . . 82 GLN HA . 50808 1 824 . 1 . 1 82 82 GLN HB2 H 1 1.950 0.01 . . . . . . . 82 GLN HB . 50808 1 825 . 1 . 1 82 82 GLN HB3 H 1 1.950 0.01 . . . . . . . 82 GLN HB . 50808 1 826 . 1 . 1 82 82 GLN HG2 H 1 2.316 0.01 . . . . . . . 82 GLN HG . 50808 1 827 . 1 . 1 82 82 GLN HG3 H 1 2.316 0.01 . . . . . . . 82 GLN HG . 50808 1 828 . 1 . 1 82 82 GLN C C 13 174.603 0.04 . . . . . . . 82 GLN C . 50808 1 829 . 1 . 1 82 82 GLN CA C 13 54.951 0.04 . . . . . . . 82 GLN CA . 50808 1 830 . 1 . 1 82 82 GLN CB C 13 29.691 0.05 . . . . . . . 82 GLN CB . 50808 1 831 . 1 . 1 82 82 GLN CG C 13 33.797 0.00 . . . . . . . 82 GLN CG . 50808 1 832 . 1 . 1 82 82 GLN N N 15 128.287 0.95 . . . . . . . 82 GLN N . 50808 1 833 . 1 . 1 83 83 MET H H 1 9.079 0.00 . . . . . . . 83 MET H . 50808 1 834 . 1 . 1 83 83 MET HA H 1 4.827 0.00 . . . . . . . 83 MET HA . 50808 1 835 . 1 . 1 83 83 MET HB2 H 1 1.980 0.00 . . . . . . . 83 MET HB2 . 50808 1 836 . 1 . 1 83 83 MET HB3 H 1 1.801 0.00 . . . . . . . 83 MET HB3 . 50808 1 837 . 1 . 1 83 83 MET HG2 H 1 2.085 0.01 . . . . . . . 83 MET HG . 50808 1 838 . 1 . 1 83 83 MET HG3 H 1 2.085 0.01 . . . . . . . 83 MET HG . 50808 1 839 . 1 . 1 83 83 MET C C 13 173.462 0.03 . . . . . . . 83 MET C . 50808 1 840 . 1 . 1 83 83 MET CA C 13 55.098 0.07 . . . . . . . 83 MET CA . 50808 1 841 . 1 . 1 83 83 MET CB C 13 35.618 0.06 . . . . . . . 83 MET CB . 50808 1 842 . 1 . 1 83 83 MET CG C 13 31.685 0.00 . . . . . . . 83 MET CG . 50808 1 843 . 1 . 1 83 83 MET N N 15 126.007 0.05 . . . . . . . 83 MET N . 50808 1 844 . 1 . 1 84 84 ASN H H 1 8.476 0.00 . . . . . . . 84 ASN H . 50808 1 845 . 1 . 1 84 84 ASN HA H 1 5.091 0.01 . . . . . . . 84 ASN HA . 50808 1 846 . 1 . 1 84 84 ASN HB2 H 1 2.746 0.01 . . . . . . . 84 ASN HB . 50808 1 847 . 1 . 1 84 84 ASN HB3 H 1 2.746 0.01 . . . . . . . 84 ASN HB . 50808 1 848 . 1 . 1 84 84 ASN C C 13 173.251 0.00 . . . . . . . 84 ASN C . 50808 1 849 . 1 . 1 84 84 ASN CA C 13 51.602 0.10 . . . . . . . 84 ASN CA . 50808 1 850 . 1 . 1 84 84 ASN CB C 13 41.630 0.00 . . . . . . . 84 ASN CB . 50808 1 851 . 1 . 1 84 84 ASN N N 15 120.578 0.13 . . . . . . . 84 ASN N . 50808 1 852 . 1 . 1 85 85 SER H H 1 8.461 0.00 . . . . . . . 85 SER H . 50808 1 853 . 1 . 1 85 85 SER HA H 1 3.973 0.00 . . . . . . . 85 SER HA . 50808 1 854 . 1 . 1 85 85 SER HB2 H 1 3.673 0.00 . . . . . . . 85 SER HB . 50808 1 855 . 1 . 1 85 85 SER HB3 H 1 3.673 0.00 . . . . . . . 85 SER HB . 50808 1 856 . 1 . 1 85 85 SER C C 13 175.219 0.01 . . . . . . . 85 SER C . 50808 1 857 . 1 . 1 85 85 SER CA C 13 57.623 0.07 . . . . . . . 85 SER CA . 50808 1 858 . 1 . 1 85 85 SER CB C 13 62.130 0.21 . . . . . . . 85 SER CB . 50808 1 859 . 1 . 1 85 85 SER N N 15 112.551 0.08 . . . . . . . 85 SER N . 50808 1 860 . 1 . 1 86 86 LEU H H 1 8.162 0.00 . . . . . . . 86 LEU H . 50808 1 861 . 1 . 1 86 86 LEU HA H 1 3.861 0.00 . . . . . . . 86 LEU HA . 50808 1 862 . 1 . 1 86 86 LEU HB2 H 1 1.402 0.00 . . . . . . . 86 LEU HB2 . 50808 1 863 . 1 . 1 86 86 LEU HB3 H 1 1.244 0.00 . . . . . . . 86 LEU HB3 . 50808 1 864 . 1 . 1 86 86 LEU HG H 1 1.027 0.00 . . . . . . . 86 LEU HG . 50808 1 865 . 1 . 1 86 86 LEU HD11 H 1 0.769 0.00 . . . . . . . 86 LEU HD1 . 50808 1 866 . 1 . 1 86 86 LEU HD12 H 1 0.769 0.00 . . . . . . . 86 LEU HD1 . 50808 1 867 . 1 . 1 86 86 LEU HD13 H 1 0.769 0.00 . . . . . . . 86 LEU HD1 . 50808 1 868 . 1 . 1 86 86 LEU HD21 H 1 0.565 0.00 . . . . . . . 86 LEU HD2 . 50808 1 869 . 1 . 1 86 86 LEU HD22 H 1 0.565 0.00 . . . . . . . 86 LEU HD2 . 50808 1 870 . 1 . 1 86 86 LEU HD23 H 1 0.565 0.00 . . . . . . . 86 LEU HD2 . 50808 1 871 . 1 . 1 86 86 LEU C C 13 177.241 0.01 . . . . . . . 86 LEU C . 50808 1 872 . 1 . 1 86 86 LEU CA C 13 56.329 0.02 . . . . . . . 86 LEU CA . 50808 1 873 . 1 . 1 86 86 LEU CB C 13 43.137 0.04 . . . . . . . 86 LEU CB . 50808 1 874 . 1 . 1 86 86 LEU CG C 13 26.907 0.00 . . . . . . . 86 LEU CG . 50808 1 875 . 1 . 1 86 86 LEU CD1 C 13 23.850 0.00 . . . . . . . 86 LEU CD . 50808 1 876 . 1 . 1 86 86 LEU CD2 C 13 23.850 0.00 . . . . . . . 86 LEU CD . 50808 1 877 . 1 . 1 86 86 LEU N N 15 118.527 0.05 . . . . . . . 86 LEU N . 50808 1 878 . 1 . 1 87 87 LYS H H 1 9.554 0.00 . . . . . . . 87 LYS H . 50808 1 879 . 1 . 1 87 87 LYS HA H 1 4.829 0.00 . . . . . . . 87 LYS HA . 50808 1 880 . 1 . 1 87 87 LYS HB2 H 1 2.119 0.00 . . . . . . . 87 LYS HB . 50808 1 881 . 1 . 1 87 87 LYS HB3 H 1 2.119 0.00 . . . . . . . 87 LYS HB . 50808 1 882 . 1 . 1 87 87 LYS HG2 H 1 0.404 0.00 . . . . . . . 87 LYS HG . 50808 1 883 . 1 . 1 87 87 LYS HG3 H 1 0.404 0.00 . . . . . . . 87 LYS HG . 50808 1 884 . 1 . 1 87 87 LYS C C 13 175.096 0.00 . . . . . . . 87 LYS C . 50808 1 885 . 1 . 1 87 87 LYS CA C 13 53.357 0.06 . . . . . . . 87 LYS CA . 50808 1 886 . 1 . 1 87 87 LYS CB C 13 34.206 0.00 . . . . . . . 87 LYS CB . 50808 1 887 . 1 . 1 87 87 LYS N N 15 122.700 0.05 . . . . . . . 87 LYS N . 50808 1 888 . 1 . 1 88 88 PRO HA H 1 4.231 0.00 . . . . . . . 88 PRO HA . 50808 1 889 . 1 . 1 88 88 PRO HB2 H 1 2.430 0.00 . . . . . . . 88 PRO HB2 . 50808 1 890 . 1 . 1 88 88 PRO HB3 H 1 2.266 0.00 . . . . . . . 88 PRO HB3 . 50808 1 891 . 1 . 1 88 88 PRO HG2 H 1 1.940 0.00 . . . . . . . 88 PRO HG . 50808 1 892 . 1 . 1 88 88 PRO HG3 H 1 1.940 0.00 . . . . . . . 88 PRO HG . 50808 1 893 . 1 . 1 88 88 PRO HD2 H 1 3.603 0.00 . . . . . . . 88 PRO HD . 50808 1 894 . 1 . 1 88 88 PRO HD3 H 1 3.603 0.00 . . . . . . . 88 PRO HD . 50808 1 895 . 1 . 1 88 88 PRO CA C 13 66.303 0.05 . . . . . . . 88 PRO CA . 50808 1 896 . 1 . 1 88 88 PRO CB C 13 31.862 0.05 . . . . . . . 88 PRO CB . 50808 1 897 . 1 . 1 89 89 GLU H H 1 9.292 0.00 . . . . . . . 89 GLU H . 50808 1 898 . 1 . 1 89 89 GLU HA H 1 4.322 0.00 . . . . . . . 89 GLU HA . 50808 1 899 . 1 . 1 89 89 GLU HB2 H 1 2.071 0.01 . . . . . . . 89 GLU HB . 50808 1 900 . 1 . 1 89 89 GLU HB3 H 1 2.071 0.01 . . . . . . . 89 GLU HB . 50808 1 901 . 1 . 1 89 89 GLU HG2 H 1 2.223 0.00 . . . . . . . 89 GLU HG . 50808 1 902 . 1 . 1 89 89 GLU HG3 H 1 2.223 0.00 . . . . . . . 89 GLU HG . 50808 1 903 . 1 . 1 89 89 GLU C C 13 176.063 0.00 . . . . . . . 89 GLU C . 50808 1 904 . 1 . 1 89 89 GLU CA C 13 58.679 0.08 . . . . . . . 89 GLU CA . 50808 1 905 . 1 . 1 89 89 GLU CB C 13 28.434 0.07 . . . . . . . 89 GLU CB . 50808 1 906 . 1 . 1 89 89 GLU CG C 13 36.713 0.00 . . . . . . . 89 GLU CG . 50808 1 907 . 1 . 1 89 89 GLU N N 15 115.152 0.03 . . . . . . . 89 GLU N . 50808 1 908 . 1 . 1 90 90 ASP H H 1 8.623 0.00 . . . . . . . 90 ASP H . 50808 1 909 . 1 . 1 90 90 ASP HA H 1 4.670 0.00 . . . . . . . 90 ASP HA . 50808 1 910 . 1 . 1 90 90 ASP HB2 H 1 2.974 0.01 . . . . . . . 90 ASP HB . 50808 1 911 . 1 . 1 90 90 ASP HB3 H 1 2.974 0.01 . . . . . . . 90 ASP HB . 50808 1 912 . 1 . 1 90 90 ASP C C 13 176.777 0.00 . . . . . . . 90 ASP C . 50808 1 913 . 1 . 1 90 90 ASP CA C 13 55.149 0.06 . . . . . . . 90 ASP CA . 50808 1 914 . 1 . 1 90 90 ASP CB C 13 41.504 0.07 . . . . . . . 90 ASP CB . 50808 1 915 . 1 . 1 90 90 ASP N N 15 118.996 0.04 . . . . . . . 90 ASP N . 50808 1 916 . 1 . 1 91 91 THR H H 1 7.810 0.01 . . . . . . . 91 THR H . 50808 1 917 . 1 . 1 91 91 THR HA H 1 4.341 0.00 . . . . . . . 91 THR HA . 50808 1 918 . 1 . 1 91 91 THR HB H 1 3.792 0.00 . . . . . . . 91 THR HB . 50808 1 919 . 1 . 1 91 91 THR HG21 H 1 1.537 0.00 . . . . . . . 91 THR HG2 . 50808 1 920 . 1 . 1 91 91 THR HG22 H 1 1.537 0.00 . . . . . . . 91 THR HG2 . 50808 1 921 . 1 . 1 91 91 THR HG23 H 1 1.537 0.00 . . . . . . . 91 THR HG2 . 50808 1 922 . 1 . 1 91 91 THR C C 13 174.185 0.01 . . . . . . . 91 THR C . 50808 1 923 . 1 . 1 91 91 THR CA C 13 65.062 0.05 . . . . . . . 91 THR CA . 50808 1 924 . 1 . 1 91 91 THR CB C 13 70.141 0.05 . . . . . . . 91 THR CB . 50808 1 925 . 1 . 1 91 91 THR CG2 C 13 21.886 0.00 . . . . . . . 91 THR CG2 . 50808 1 926 . 1 . 1 91 91 THR N N 15 120.530 0.10 . . . . . . . 91 THR N . 50808 1 927 . 1 . 1 92 92 ALA H H 1 9.155 0.00 . . . . . . . 92 ALA H . 50808 1 928 . 1 . 1 92 92 ALA HA H 1 4.486 0.00 . . . . . . . 92 ALA HA . 50808 1 929 . 1 . 1 92 92 ALA HB1 H 1 1.146 0.00 . . . . . . . 92 ALA HB . 50808 1 930 . 1 . 1 92 92 ALA HB2 H 1 1.146 0.00 . . . . . . . 92 ALA HB . 50808 1 931 . 1 . 1 92 92 ALA HB3 H 1 1.146 0.00 . . . . . . . 92 ALA HB . 50808 1 932 . 1 . 1 92 92 ALA C C 13 175.581 0.05 . . . . . . . 92 ALA C . 50808 1 933 . 1 . 1 92 92 ALA CA C 13 52.782 0.03 . . . . . . . 92 ALA CA . 50808 1 934 . 1 . 1 92 92 ALA CB C 13 21.637 0.10 . . . . . . . 92 ALA CB . 50808 1 935 . 1 . 1 92 92 ALA N N 15 128.664 0.04 . . . . . . . 92 ALA N . 50808 1 936 . 1 . 1 93 93 VAL H H 1 7.737 0.00 . . . . . . . 93 VAL H . 50808 1 937 . 1 . 1 93 93 VAL HA H 1 4.343 0.00 . . . . . . . 93 VAL HA . 50808 1 938 . 1 . 1 93 93 VAL HB H 1 1.961 0.00 . . . . . . . 93 VAL HB . 50808 1 939 . 1 . 1 93 93 VAL HG11 H 1 0.982 0.00 . . . . . . . 93 VAL HG1 . 50808 1 940 . 1 . 1 93 93 VAL HG12 H 1 0.982 0.00 . . . . . . . 93 VAL HG1 . 50808 1 941 . 1 . 1 93 93 VAL HG13 H 1 0.982 0.00 . . . . . . . 93 VAL HG1 . 50808 1 942 . 1 . 1 93 93 VAL HG21 H 1 0.379 0.00 . . . . . . . 93 VAL HG2 . 50808 1 943 . 1 . 1 93 93 VAL HG22 H 1 0.379 0.00 . . . . . . . 93 VAL HG2 . 50808 1 944 . 1 . 1 93 93 VAL HG23 H 1 0.379 0.00 . . . . . . . 93 VAL HG2 . 50808 1 945 . 1 . 1 93 93 VAL CA C 13 63.043 0.07 . . . . . . . 93 VAL CA . 50808 1 946 . 1 . 1 93 93 VAL CB C 13 32.222 0.03 . . . . . . . 93 VAL CB . 50808 1 947 . 1 . 1 93 93 VAL CG1 C 13 22.181 0.00 . . . . . . . 93 VAL CG1 . 50808 1 948 . 1 . 1 93 93 VAL CG2 C 13 22.181 0.00 . . . . . . . 93 VAL CG2 . 50808 1 949 . 1 . 1 93 93 VAL N N 15 118.485 0.03 . . . . . . . 93 VAL N . 50808 1 950 . 1 . 1 94 94 TYR H H 1 9.265 0.00 . . . . . . . 94 TYR H . 50808 1 951 . 1 . 1 94 94 TYR HA H 1 5.133 0.00 . . . . . . . 94 TYR HA . 50808 1 952 . 1 . 1 94 94 TYR HB2 H 1 3.051 0.00 . . . . . . . 94 TYR HB2 . 50808 1 953 . 1 . 1 94 94 TYR HB3 H 1 2.869 0.00 . . . . . . . 94 TYR HB3 . 50808 1 954 . 1 . 1 94 94 TYR C C 13 174.552 0.00 . . . . . . . 94 TYR C . 50808 1 955 . 1 . 1 94 94 TYR CA C 13 58.104 0.07 . . . . . . . 94 TYR CA . 50808 1 956 . 1 . 1 94 94 TYR CB C 13 40.594 0.05 . . . . . . . 94 TYR CB . 50808 1 957 . 1 . 1 94 94 TYR N N 15 128.298 0.09 . . . . . . . 94 TYR N . 50808 1 958 . 1 . 1 95 95 TYR H H 1 9.506 0.00 . . . . . . . 95 TYR H . 50808 1 959 . 1 . 1 95 95 TYR HA H 1 5.135 0.00 . . . . . . . 95 TYR HA . 50808 1 960 . 1 . 1 95 95 TYR HB2 H 1 3.212 0.00 . . . . . . . 95 TYR HB2 . 50808 1 961 . 1 . 1 95 95 TYR HB3 H 1 2.760 0.01 . . . . . . . 95 TYR HB3 . 50808 1 962 . 1 . 1 95 95 TYR HD1 H 1 6.861 0.00 . . . . . . . 95 TYR HD . 50808 1 963 . 1 . 1 95 95 TYR HD2 H 1 6.861 0.00 . . . . . . . 95 TYR HD . 50808 1 964 . 1 . 1 95 95 TYR HE1 H 1 6.612 0.00 . . . . . . . 95 TYR HE . 50808 1 965 . 1 . 1 95 95 TYR HE2 H 1 6.612 0.00 . . . . . . . 95 TYR HE . 50808 1 966 . 1 . 1 95 95 TYR C C 13 174.036 0.03 . . . . . . . 95 TYR C . 50808 1 967 . 1 . 1 95 95 TYR CA C 13 56.228 0.04 . . . . . . . 95 TYR CA . 50808 1 968 . 1 . 1 95 95 TYR CB C 13 43.860 0.04 . . . . . . . 95 TYR CB . 50808 1 969 . 1 . 1 95 95 TYR CD1 C 13 132.973 0.00 . . . . . . . 95 TYR CD . 50808 1 970 . 1 . 1 95 95 TYR CD2 C 13 132.973 0.00 . . . . . . . 95 TYR CD . 50808 1 971 . 1 . 1 95 95 TYR CE1 C 13 118.581 0.00 . . . . . . . 95 TYR CE . 50808 1 972 . 1 . 1 95 95 TYR CE2 C 13 118.581 0.00 . . . . . . . 95 TYR CE . 50808 1 973 . 1 . 1 95 95 TYR N N 15 120.048 0.04 . . . . . . . 95 TYR N . 50808 1 974 . 1 . 1 96 96 CYS H H 1 10.728 0.00 . . . . . . . 96 CYS H . 50808 1 975 . 1 . 1 96 96 CYS HA H 1 4.760 0.00 . . . . . . . 96 CYS HA . 50808 1 976 . 1 . 1 96 96 CYS HB2 H 1 2.246 0.00 . . . . . . . 96 CYS HB2 . 50808 1 977 . 1 . 1 96 96 CYS HB3 H 1 0.668 0.00 . . . . . . . 96 CYS HB3 . 50808 1 978 . 1 . 1 96 96 CYS C C 13 171.001 0.01 . . . . . . . 96 CYS C . 50808 1 979 . 1 . 1 96 96 CYS CA C 13 56.244 0.07 . . . . . . . 96 CYS CA . 50808 1 980 . 1 . 1 96 96 CYS CB C 13 28.767 0.02 . . . . . . . 96 CYS CB . 50808 1 981 . 1 . 1 96 96 CYS N N 15 127.075 0.05 . . . . . . . 96 CYS N . 50808 1 982 . 1 . 1 97 97 ALA H H 1 8.722 0.01 . . . . . . . 97 ALA H . 50808 1 983 . 1 . 1 97 97 ALA HA H 1 4.657 0.00 . . . . . . . 97 ALA HA . 50808 1 984 . 1 . 1 97 97 ALA HB1 H 1 -0.389 0.00 . . . . . . . 97 ALA HB . 50808 1 985 . 1 . 1 97 97 ALA HB2 H 1 -0.389 0.00 . . . . . . . 97 ALA HB . 50808 1 986 . 1 . 1 97 97 ALA HB3 H 1 -0.389 0.00 . . . . . . . 97 ALA HB . 50808 1 987 . 1 . 1 97 97 ALA C C 13 175.027 0.02 . . . . . . . 97 ALA C . 50808 1 988 . 1 . 1 97 97 ALA CA C 13 50.062 0.06 . . . . . . . 97 ALA CA . 50808 1 989 . 1 . 1 97 97 ALA CB C 13 21.507 0.06 . . . . . . . 97 ALA CB . 50808 1 990 . 1 . 1 97 97 ALA N N 15 129.201 0.12 . . . . . . . 97 ALA N . 50808 1 991 . 1 . 1 98 98 ALA H H 1 8.473 0.00 . . . . . . . 98 ALA H . 50808 1 992 . 1 . 1 98 98 ALA HA H 1 5.715 0.00 . . . . . . . 98 ALA HA . 50808 1 993 . 1 . 1 98 98 ALA HB1 H 1 1.185 0.00 . . . . . . . 98 ALA HB . 50808 1 994 . 1 . 1 98 98 ALA HB2 H 1 1.185 0.00 . . . . . . . 98 ALA HB . 50808 1 995 . 1 . 1 98 98 ALA HB3 H 1 1.185 0.00 . . . . . . . 98 ALA HB . 50808 1 996 . 1 . 1 98 98 ALA C C 13 176.921 0.01 . . . . . . . 98 ALA C . 50808 1 997 . 1 . 1 98 98 ALA CA C 13 50.609 0.68 . . . . . . . 98 ALA CA . 50808 1 998 . 1 . 1 98 98 ALA CB C 13 24.206 0.06 . . . . . . . 98 ALA CB . 50808 1 999 . 1 . 1 98 98 ALA N N 15 120.496 0.12 . . . . . . . 98 ALA N . 50808 1 1000 . 1 . 1 99 99 SER H H 1 9.241 0.00 . . . . . . . 99 SER H . 50808 1 1001 . 1 . 1 99 99 SER HA H 1 4.954 0.00 . . . . . . . 99 SER HA . 50808 1 1002 . 1 . 1 99 99 SER HB2 H 1 3.447 0.01 . . . . . . . 99 SER HB . 50808 1 1003 . 1 . 1 99 99 SER HB3 H 1 3.447 0.01 . . . . . . . 99 SER HB . 50808 1 1004 . 1 . 1 99 99 SER C C 13 174.738 0.02 . . . . . . . 99 SER C . 50808 1 1005 . 1 . 1 99 99 SER CA C 13 55.422 0.07 . . . . . . . 99 SER CA . 50808 1 1006 . 1 . 1 99 99 SER CB C 13 66.230 0.09 . . . . . . . 99 SER CB . 50808 1 1007 . 1 . 1 99 99 SER N N 15 115.196 0.03 . . . . . . . 99 SER N . 50808 1 1008 . 1 . 1 100 100 ILE H H 1 8.596 0.01 . . . . . . . 100 ILE H . 50808 1 1009 . 1 . 1 100 100 ILE HA H 1 4.214 0.00 . . . . . . . 100 ILE HA . 50808 1 1010 . 1 . 1 100 100 ILE HB H 1 1.744 0.00 . . . . . . . 100 ILE HB . 50808 1 1011 . 1 . 1 100 100 ILE HG21 H 1 0.737 0.00 . . . . . . . 100 ILE HG2 . 50808 1 1012 . 1 . 1 100 100 ILE HG22 H 1 0.737 0.00 . . . . . . . 100 ILE HG2 . 50808 1 1013 . 1 . 1 100 100 ILE HG23 H 1 0.737 0.00 . . . . . . . 100 ILE HG2 . 50808 1 1014 . 1 . 1 100 100 ILE HD11 H 1 0.542 0.00 . . . . . . . 100 ILE HD1 . 50808 1 1015 . 1 . 1 100 100 ILE HD12 H 1 0.542 0.00 . . . . . . . 100 ILE HD1 . 50808 1 1016 . 1 . 1 100 100 ILE HD13 H 1 0.542 0.00 . . . . . . . 100 ILE HD1 . 50808 1 1017 . 1 . 1 100 100 ILE C C 13 175.995 0.00 . . . . . . . 100 ILE C . 50808 1 1018 . 1 . 1 100 100 ILE CA C 13 61.727 0.06 . . . . . . . 100 ILE CA . 50808 1 1019 . 1 . 1 100 100 ILE CB C 13 38.473 0.09 . . . . . . . 100 ILE CB . 50808 1 1020 . 1 . 1 100 100 ILE CG1 C 13 26.413 0.00 . . . . . . . 100 ILE CG1 . 50808 1 1021 . 1 . 1 100 100 ILE CG2 C 13 18.276 0.00 . . . . . . . 100 ILE CG2 . 50808 1 1022 . 1 . 1 100 100 ILE N N 15 122.399 0.05 . . . . . . . 100 ILE N . 50808 1 1023 . 1 . 1 101 101 TYR H H 1 7.913 0.01 . . . . . . . 101 TYR H . 50808 1 1024 . 1 . 1 101 101 TYR HB2 H 1 2.924 0.00 . . . . . . . 101 TYR HB2 . 50808 1 1025 . 1 . 1 101 101 TYR HB3 H 1 2.669 0.00 . . . . . . . 101 TYR HB3 . 50808 1 1026 . 1 . 1 101 101 TYR HD1 H 1 7.043 0.00 . . . . . . . 101 TYR HD . 50808 1 1027 . 1 . 1 101 101 TYR HD2 H 1 7.043 0.00 . . . . . . . 101 TYR HD . 50808 1 1028 . 1 . 1 101 101 TYR HE1 H 1 6.777 0.00 . . . . . . . 101 TYR HE . 50808 1 1029 . 1 . 1 101 101 TYR HE2 H 1 6.777 0.00 . . . . . . . 101 TYR HE . 50808 1 1030 . 1 . 1 101 101 TYR C C 13 176.281 0.00 . . . . . . . 101 TYR C . 50808 1 1031 . 1 . 1 101 101 TYR CA C 13 57.556 0.03 . . . . . . . 101 TYR CA . 50808 1 1032 . 1 . 1 101 101 TYR CB C 13 38.596 0.13 . . . . . . . 101 TYR CB . 50808 1 1033 . 1 . 1 101 101 TYR CD1 C 13 133.216 0.00 . . . . . . . 101 TYR CD . 50808 1 1034 . 1 . 1 101 101 TYR CD2 C 13 133.216 0.00 . . . . . . . 101 TYR CD . 50808 1 1035 . 1 . 1 101 101 TYR N N 15 122.988 0.04 . . . . . . . 101 TYR N . 50808 1 1036 . 1 . 1 102 102 GLY H H 1 8.342 0.00 . . . . . . . 102 GLY H . 50808 1 1037 . 1 . 1 102 102 GLY HA2 H 1 4.056 0.01 . . . . . . . 102 GLY HA2 . 50808 1 1038 . 1 . 1 102 102 GLY HA3 H 1 3.699 0.00 . . . . . . . 102 GLY HA3 . 50808 1 1039 . 1 . 1 102 102 GLY C C 13 176.299 0.00 . . . . . . . 102 GLY C . 50808 1 1040 . 1 . 1 102 102 GLY CA C 13 46.096 0.01 . . . . . . . 102 GLY CA . 50808 1 1041 . 1 . 1 102 102 GLY N N 15 111.183 0.07 . . . . . . . 102 GLY N . 50808 1 1042 . 1 . 1 103 103 TYR H H 1 7.823 0.01 . . . . . . . 103 TYR H . 50808 1 1043 . 1 . 1 103 103 TYR HA H 1 4.675 0.00 . . . . . . . 103 TYR HA . 50808 1 1044 . 1 . 1 103 103 TYR HB2 H 1 2.975 0.01 . . . . . . . 103 TYR HB2 . 50808 1 1045 . 1 . 1 103 103 TYR HB3 H 1 2.695 0.00 . . . . . . . 103 TYR HB3 . 50808 1 1046 . 1 . 1 103 103 TYR HD1 H 1 6.752 0.01 . . . . . . . 103 TYR HD . 50808 1 1047 . 1 . 1 103 103 TYR HD2 H 1 6.752 0.01 . . . . . . . 103 TYR HD . 50808 1 1048 . 1 . 1 103 103 TYR C C 13 174.280 0.00 . . . . . . . 103 TYR C . 50808 1 1049 . 1 . 1 103 103 TYR CA C 13 58.055 0.03 . . . . . . . 103 TYR CA . 50808 1 1050 . 1 . 1 103 103 TYR CB C 13 39.804 0.08 . . . . . . . 103 TYR CB . 50808 1 1051 . 1 . 1 103 103 TYR CD1 C 13 132.315 0.00 . . . . . . . 103 TYR CD . 50808 1 1052 . 1 . 1 103 103 TYR CD2 C 13 132.315 0.00 . . . . . . . 103 TYR CD . 50808 1 1053 . 1 . 1 103 103 TYR N N 15 122.292 0.16 . . . . . . . 103 TYR N . 50808 1 1054 . 1 . 1 104 104 TYR H H 1 7.315 0.00 . . . . . . . 104 TYR H . 50808 1 1055 . 1 . 1 104 104 TYR HA H 1 4.226 0.00 . . . . . . . 104 TYR HA . 50808 1 1056 . 1 . 1 104 104 TYR HD1 H 1 6.675 0.00 . . . . . . . 104 TYR HD . 50808 1 1057 . 1 . 1 104 104 TYR HD2 H 1 6.675 0.00 . . . . . . . 104 TYR HD . 50808 1 1058 . 1 . 1 104 104 TYR HE1 H 1 6.406 0.01 . . . . . . . 104 TYR HE . 50808 1 1059 . 1 . 1 104 104 TYR HE2 H 1 6.406 0.01 . . . . . . . 104 TYR HE . 50808 1 1060 . 1 . 1 104 104 TYR C C 13 175.276 0.00 . . . . . . . 104 TYR C . 50808 1 1061 . 1 . 1 104 104 TYR CA C 13 57.246 0.05 . . . . . . . 104 TYR CA . 50808 1 1062 . 1 . 1 104 104 TYR CB C 13 41.135 0.01 . . . . . . . 104 TYR CB . 50808 1 1063 . 1 . 1 104 104 TYR CD1 C 13 133.264 0.00 . . . . . . . 104 TYR CD . 50808 1 1064 . 1 . 1 104 104 TYR CD2 C 13 133.264 0.00 . . . . . . . 104 TYR CD . 50808 1 1065 . 1 . 1 104 104 TYR CE1 C 13 117.596 0.00 . . . . . . . 104 TYR CE . 50808 1 1066 . 1 . 1 104 104 TYR CE2 C 13 117.596 0.00 . . . . . . . 104 TYR CE . 50808 1 1067 . 1 . 1 104 104 TYR N N 15 123.158 0.12 . . . . . . . 104 TYR N . 50808 1 1068 . 1 . 1 105 105 SER HA H 1 4.068 0.00 . . . . . . . 105 SER HA . 50808 1 1069 . 1 . 1 105 105 SER HB2 H 1 3.885 0.00 . . . . . . . 105 SER HB2 . 50808 1 1070 . 1 . 1 105 105 SER HB3 H 1 3.804 0.00 . . . . . . . 105 SER HB3 . 50808 1 1071 . 1 . 1 105 105 SER CA C 13 59.541 0.04 . . . . . . . 105 SER CA . 50808 1 1072 . 1 . 1 105 105 SER CB C 13 63.296 0.10 . . . . . . . 105 SER CB . 50808 1 1073 . 1 . 1 106 106 ASP H H 1 7.260 0.01 . . . . . . . 106 ASP H . 50808 1 1074 . 1 . 1 106 106 ASP HA H 1 4.684 0.00 . . . . . . . 106 ASP HA . 50808 1 1075 . 1 . 1 106 106 ASP HB2 H 1 2.644 0.00 . . . . . . . 106 ASP HB2 . 50808 1 1076 . 1 . 1 106 106 ASP HB3 H 1 2.466 0.00 . . . . . . . 106 ASP HB3 . 50808 1 1077 . 1 . 1 106 106 ASP C C 13 176.223 0.01 . . . . . . . 106 ASP C . 50808 1 1078 . 1 . 1 106 106 ASP CA C 13 52.570 0.07 . . . . . . . 106 ASP CA . 50808 1 1079 . 1 . 1 106 106 ASP CB C 13 41.013 0.06 . . . . . . . 106 ASP CB . 50808 1 1080 . 1 . 1 106 106 ASP N N 15 120.062 0.05 . . . . . . . 106 ASP N . 50808 1 1081 . 1 . 1 107 107 THR H H 1 8.024 0.00 . . . . . . . 107 THR H . 50808 1 1082 . 1 . 1 107 107 THR HA H 1 3.486 0.01 . . . . . . . 107 THR HA . 50808 1 1083 . 1 . 1 107 107 THR HB H 1 2.922 0.00 . . . . . . . 107 THR HB . 50808 1 1084 . 1 . 1 107 107 THR HG21 H 1 1.015 0.00 . . . . . . . 107 THR HG2 . 50808 1 1085 . 1 . 1 107 107 THR HG22 H 1 1.015 0.00 . . . . . . . 107 THR HG2 . 50808 1 1086 . 1 . 1 107 107 THR HG23 H 1 1.015 0.00 . . . . . . . 107 THR HG2 . 50808 1 1087 . 1 . 1 107 107 THR C C 13 176.303 0.02 . . . . . . . 107 THR C . 50808 1 1088 . 1 . 1 107 107 THR CA C 13 63.565 0.03 . . . . . . . 107 THR CA . 50808 1 1089 . 1 . 1 107 107 THR CB C 13 68.664 0.05 . . . . . . . 107 THR CB . 50808 1 1090 . 1 . 1 107 107 THR CG2 C 13 22.005 0.00 . . . . . . . 107 THR CG2 . 50808 1 1091 . 1 . 1 107 107 THR N N 15 115.670 0.05 . . . . . . . 107 THR N . 50808 1 1092 . 1 . 1 108 108 SER H H 1 8.407 0.00 . . . . . . . 108 SER H . 50808 1 1093 . 1 . 1 108 108 SER HA H 1 4.029 0.00 . . . . . . . 108 SER HA . 50808 1 1094 . 1 . 1 108 108 SER HB2 H 1 3.715 0.00 . . . . . . . 108 SER HB . 50808 1 1095 . 1 . 1 108 108 SER HB3 H 1 3.715 0.00 . . . . . . . 108 SER HB . 50808 1 1096 . 1 . 1 108 108 SER CA C 13 61.196 0.13 . . . . . . . 108 SER CA . 50808 1 1097 . 1 . 1 108 108 SER CB C 13 62.316 0.15 . . . . . . . 108 SER CB . 50808 1 1098 . 1 . 1 108 108 SER N N 15 118.134 0.06 . . . . . . . 108 SER N . 50808 1 1099 . 1 . 1 109 109 TYR H H 1 7.515 0.00 . . . . . . . 109 TYR H . 50808 1 1100 . 1 . 1 109 109 TYR HA H 1 3.702 0.00 . . . . . . . 109 TYR HA . 50808 1 1101 . 1 . 1 109 109 TYR HB2 H 1 2.205 0.00 . . . . . . . 109 TYR HB2 . 50808 1 1102 . 1 . 1 109 109 TYR HB3 H 1 1.962 0.00 . . . . . . . 109 TYR HB3 . 50808 1 1103 . 1 . 1 109 109 TYR HD1 H 1 6.602 0.01 . . . . . . . 109 TYR HD . 50808 1 1104 . 1 . 1 109 109 TYR HD2 H 1 6.602 0.01 . . . . . . . 109 TYR HD . 50808 1 1105 . 1 . 1 109 109 TYR HE1 H 1 6.575 0.01 . . . . . . . 109 TYR HE . 50808 1 1106 . 1 . 1 109 109 TYR HE2 H 1 6.575 0.01 . . . . . . . 109 TYR HE . 50808 1 1107 . 1 . 1 109 109 TYR C C 13 177.775 0.01 . . . . . . . 109 TYR C . 50808 1 1108 . 1 . 1 109 109 TYR CA C 13 60.862 0.04 . . . . . . . 109 TYR CA . 50808 1 1109 . 1 . 1 109 109 TYR CB C 13 37.347 0.02 . . . . . . . 109 TYR CB . 50808 1 1110 . 1 . 1 109 109 TYR CD1 C 13 132.495 0.00 . . . . . . . 109 TYR CD . 50808 1 1111 . 1 . 1 109 109 TYR CD2 C 13 132.495 0.00 . . . . . . . 109 TYR CD . 50808 1 1112 . 1 . 1 109 109 TYR CE1 C 13 118.142 0.00 . . . . . . . 109 TYR CE . 50808 1 1113 . 1 . 1 109 109 TYR CE2 C 13 118.142 0.00 . . . . . . . 109 TYR CE . 50808 1 1114 . 1 . 1 109 109 TYR N N 15 122.199 0.07 . . . . . . . 109 TYR N . 50808 1 1115 . 1 . 1 110 110 TYR H H 1 7.150 0.01 . . . . . . . 110 TYR H . 50808 1 1116 . 1 . 1 110 110 TYR HA H 1 4.432 0.00 . . . . . . . 110 TYR HA . 50808 1 1117 . 1 . 1 110 110 TYR HB2 H 1 2.703 0.00 . . . . . . . 110 TYR HB . 50808 1 1118 . 1 . 1 110 110 TYR HB3 H 1 2.703 0.00 . . . . . . . 110 TYR HB . 50808 1 1119 . 1 . 1 110 110 TYR HD1 H 1 6.994 0.00 . . . . . . . 110 TYR HD . 50808 1 1120 . 1 . 1 110 110 TYR HD2 H 1 6.994 0.00 . . . . . . . 110 TYR HD . 50808 1 1121 . 1 . 1 110 110 TYR HE1 H 1 6.741 0.00 . . . . . . . 110 TYR HE . 50808 1 1122 . 1 . 1 110 110 TYR HE2 H 1 6.741 0.00 . . . . . . . 110 TYR HE . 50808 1 1123 . 1 . 1 110 110 TYR C C 13 177.331 0.00 . . . . . . . 110 TYR C . 50808 1 1124 . 1 . 1 110 110 TYR CA C 13 56.751 0.04 . . . . . . . 110 TYR CA . 50808 1 1125 . 1 . 1 110 110 TYR CB C 13 37.356 0.07 . . . . . . . 110 TYR CB . 50808 1 1126 . 1 . 1 110 110 TYR N N 15 114.096 0.03 . . . . . . . 110 TYR N . 50808 1 1127 . 1 . 1 111 111 THR H H 1 7.380 0.01 . . . . . . . 111 THR H . 50808 1 1128 . 1 . 1 111 111 THR HA H 1 4.392 0.00 . . . . . . . 111 THR HA . 50808 1 1129 . 1 . 1 111 111 THR HB H 1 3.982 0.01 . . . . . . . 111 THR HB . 50808 1 1130 . 1 . 1 111 111 THR HG21 H 1 0.731 0.00 . . . . . . . 111 THR HG2 . 50808 1 1131 . 1 . 1 111 111 THR HG22 H 1 0.731 0.00 . . . . . . . 111 THR HG2 . 50808 1 1132 . 1 . 1 111 111 THR HG23 H 1 0.731 0.00 . . . . . . . 111 THR HG2 . 50808 1 1133 . 1 . 1 111 111 THR C C 13 173.839 0.00 . . . . . . . 111 THR C . 50808 1 1134 . 1 . 1 111 111 THR CA C 13 62.067 0.05 . . . . . . . 111 THR CA . 50808 1 1135 . 1 . 1 111 111 THR CB C 13 69.546 0.05 . . . . . . . 111 THR CB . 50808 1 1136 . 1 . 1 111 111 THR CG2 C 13 21.285 0.00 . . . . . . . 111 THR CG2 . 50808 1 1137 . 1 . 1 111 111 THR N N 15 106.380 0.04 . . . . . . . 111 THR N . 50808 1 1138 . 1 . 1 112 112 ARG H H 1 6.977 0.00 . . . . . . . 112 ARG H . 50808 1 1139 . 1 . 1 112 112 ARG HA H 1 4.502 0.00 . . . . . . . 112 ARG HA . 50808 1 1140 . 1 . 1 112 112 ARG HB2 H 1 1.921 0.01 . . . . . . . 112 ARG HB2 . 50808 1 1141 . 1 . 1 112 112 ARG HB3 H 1 1.792 0.01 . . . . . . . 112 ARG HB3 . 50808 1 1142 . 1 . 1 112 112 ARG HG2 H 1 2.234 0.00 . . . . . . . 112 ARG HG . 50808 1 1143 . 1 . 1 112 112 ARG HG3 H 1 2.234 0.00 . . . . . . . 112 ARG HG . 50808 1 1144 . 1 . 1 112 112 ARG HD2 H 1 3.081 0.00 . . . . . . . 112 ARG HD2 . 50808 1 1145 . 1 . 1 112 112 ARG HD3 H 1 2.898 0.00 . . . . . . . 112 ARG HD3 . 50808 1 1146 . 1 . 1 112 112 ARG C C 13 177.728 0.01 . . . . . . . 112 ARG C . 50808 1 1147 . 1 . 1 112 112 ARG CA C 13 55.739 0.04 . . . . . . . 112 ARG CA . 50808 1 1148 . 1 . 1 112 112 ARG CB C 13 30.528 0.15 . . . . . . . 112 ARG CB . 50808 1 1149 . 1 . 1 112 112 ARG CG C 13 27.306 0.00 . . . . . . . 112 ARG CG . 50808 1 1150 . 1 . 1 112 112 ARG CD C 13 43.562 0.00 . . . . . . . 112 ARG CD . 50808 1 1151 . 1 . 1 112 112 ARG N N 15 120.767 0.03 . . . . . . . 112 ARG N . 50808 1 1152 . 1 . 1 113 113 LEU H H 1 8.750 0.00 . . . . . . . 113 LEU H . 50808 1 1153 . 1 . 1 113 113 LEU HA H 1 4.042 0.00 . . . . . . . 113 LEU HA . 50808 1 1154 . 1 . 1 113 113 LEU HB2 H 1 1.740 0.00 . . . . . . . 113 LEU HB2 . 50808 1 1155 . 1 . 1 113 113 LEU HB3 H 1 1.496 0.01 . . . . . . . 113 LEU HB3 . 50808 1 1156 . 1 . 1 113 113 LEU HD11 H 1 0.816 0.00 . . . . . . . 113 LEU HD1 . 50808 1 1157 . 1 . 1 113 113 LEU HD12 H 1 0.816 0.00 . . . . . . . 113 LEU HD1 . 50808 1 1158 . 1 . 1 113 113 LEU HD13 H 1 0.816 0.00 . . . . . . . 113 LEU HD1 . 50808 1 1159 . 1 . 1 113 113 LEU HD21 H 1 0.579 0.00 . . . . . . . 113 LEU HD2 . 50808 1 1160 . 1 . 1 113 113 LEU HD22 H 1 0.579 0.00 . . . . . . . 113 LEU HD2 . 50808 1 1161 . 1 . 1 113 113 LEU HD23 H 1 0.579 0.00 . . . . . . . 113 LEU HD2 . 50808 1 1162 . 1 . 1 113 113 LEU C C 13 173.206 0.00 . . . . . . . 113 LEU C . 50808 1 1163 . 1 . 1 113 113 LEU CA C 13 59.117 0.11 . . . . . . . 113 LEU CA . 50808 1 1164 . 1 . 1 113 113 LEU CB C 13 41.546 0.07 . . . . . . . 113 LEU CB . 50808 1 1165 . 1 . 1 113 113 LEU CG C 13 27.931 0.00 . . . . . . . 113 LEU CG . 50808 1 1166 . 1 . 1 113 113 LEU N N 15 125.106 0.10 . . . . . . . 113 LEU N . 50808 1 1167 . 1 . 1 114 114 ASN H H 1 8.459 0.00 . . . . . . . 114 ASN H . 50808 1 1168 . 1 . 1 114 114 ASN HA H 1 4.597 0.00 . . . . . . . 114 ASN HA . 50808 1 1169 . 1 . 1 114 114 ASN HB2 H 1 2.977 0.00 . . . . . . . 114 ASN HB2 . 50808 1 1170 . 1 . 1 114 114 ASN HB3 H 1 2.814 0.00 . . . . . . . 114 ASN HB3 . 50808 1 1171 . 1 . 1 114 114 ASN C C 13 175.654 0.02 . . . . . . . 114 ASN C . 50808 1 1172 . 1 . 1 114 114 ASN CA C 13 54.184 0.13 . . . . . . . 114 ASN CA . 50808 1 1173 . 1 . 1 114 114 ASN CB C 13 37.029 0.02 . . . . . . . 114 ASN CB . 50808 1 1174 . 1 . 1 114 114 ASN N N 15 112.462 0.04 . . . . . . . 114 ASN N . 50808 1 1175 . 1 . 1 115 115 ASN H H 1 7.751 0.00 . . . . . . . 115 ASN H . 50808 1 1176 . 1 . 1 115 115 ASN HA H 1 4.826 0.00 . . . . . . . 115 ASN HA . 50808 1 1177 . 1 . 1 115 115 ASN HB2 H 1 2.670 0.00 . . . . . . . 115 ASN HB . 50808 1 1178 . 1 . 1 115 115 ASN HB3 H 1 2.670 0.00 . . . . . . . 115 ASN HB . 50808 1 1179 . 1 . 1 115 115 ASN C C 13 174.254 0.00 . . . . . . . 115 ASN C . 50808 1 1180 . 1 . 1 115 115 ASN CA C 13 54.039 0.03 . . . . . . . 115 ASN CA . 50808 1 1181 . 1 . 1 115 115 ASN CB C 13 38.951 0.03 . . . . . . . 115 ASN CB . 50808 1 1182 . 1 . 1 115 115 ASN N N 15 116.876 0.03 . . . . . . . 115 ASN N . 50808 1 1183 . 1 . 1 116 116 TYR H H 1 7.827 0.00 . . . . . . . 116 TYR H . 50808 1 1184 . 1 . 1 116 116 TYR HA H 1 4.361 0.00 . . . . . . . 116 TYR HA . 50808 1 1185 . 1 . 1 116 116 TYR HB2 H 1 2.761 0.00 . . . . . . . 116 TYR HB2 . 50808 1 1186 . 1 . 1 116 116 TYR HB3 H 1 2.216 0.00 . . . . . . . 116 TYR HB3 . 50808 1 1187 . 1 . 1 116 116 TYR HD1 H 1 6.931 0.00 . . . . . . . 116 TYR HD . 50808 1 1188 . 1 . 1 116 116 TYR HD2 H 1 6.931 0.00 . . . . . . . 116 TYR HD . 50808 1 1189 . 1 . 1 116 116 TYR HE1 H 1 6.752 0.00 . . . . . . . 116 TYR HE . 50808 1 1190 . 1 . 1 116 116 TYR HE2 H 1 6.752 0.00 . . . . . . . 116 TYR HE . 50808 1 1191 . 1 . 1 116 116 TYR C C 13 174.013 0.00 . . . . . . . 116 TYR C . 50808 1 1192 . 1 . 1 116 116 TYR CA C 13 58.662 0.07 . . . . . . . 116 TYR CA . 50808 1 1193 . 1 . 1 116 116 TYR CB C 13 39.724 0.06 . . . . . . . 116 TYR CB . 50808 1 1194 . 1 . 1 116 116 TYR N N 15 121.004 0.07 . . . . . . . 116 TYR N . 50808 1 1195 . 1 . 1 117 117 LEU H H 1 8.069 0.00 . . . . . . . 117 LEU H . 50808 1 1196 . 1 . 1 117 117 LEU HA H 1 4.371 0.00 . . . . . . . 117 LEU HA . 50808 1 1197 . 1 . 1 117 117 LEU HB2 H 1 1.305 0.00 . . . . . . . 117 LEU HB2 . 50808 1 1198 . 1 . 1 117 117 LEU HB3 H 1 0.891 0.00 . . . . . . . 117 LEU HB3 . 50808 1 1199 . 1 . 1 117 117 LEU HD11 H 1 0.735 0.01 . . . . . . . 117 LEU HD . 50808 1 1200 . 1 . 1 117 117 LEU HD12 H 1 0.735 0.01 . . . . . . . 117 LEU HD . 50808 1 1201 . 1 . 1 117 117 LEU HD13 H 1 0.735 0.01 . . . . . . . 117 LEU HD . 50808 1 1202 . 1 . 1 117 117 LEU HD21 H 1 0.735 0.01 . . . . . . . 117 LEU HD . 50808 1 1203 . 1 . 1 117 117 LEU HD22 H 1 0.735 0.01 . . . . . . . 117 LEU HD . 50808 1 1204 . 1 . 1 117 117 LEU HD23 H 1 0.735 0.01 . . . . . . . 117 LEU HD . 50808 1 1205 . 1 . 1 117 117 LEU C C 13 176.035 0.03 . . . . . . . 117 LEU C . 50808 1 1206 . 1 . 1 117 117 LEU CA C 13 55.988 0.07 . . . . . . . 117 LEU CA . 50808 1 1207 . 1 . 1 117 117 LEU CB C 13 44.895 0.04 . . . . . . . 117 LEU CB . 50808 1 1208 . 1 . 1 117 117 LEU CG C 13 26.759 0.00 . . . . . . . 117 LEU CG . 50808 1 1209 . 1 . 1 117 117 LEU CD1 C 13 24.809 0.00 . . . . . . . 117 LEU CD . 50808 1 1210 . 1 . 1 117 117 LEU CD2 C 13 24.809 0.00 . . . . . . . 117 LEU CD . 50808 1 1211 . 1 . 1 117 117 LEU N N 15 124.788 0.07 . . . . . . . 117 LEU N . 50808 1 1212 . 1 . 1 118 118 TYR H H 1 7.066 0.01 . . . . . . . 118 TYR H . 50808 1 1213 . 1 . 1 118 118 TYR HA H 1 5.313 0.00 . . . . . . . 118 TYR HA . 50808 1 1214 . 1 . 1 118 118 TYR HB2 H 1 3.138 0.00 . . . . . . . 118 TYR HB2 . 50808 1 1215 . 1 . 1 118 118 TYR HB3 H 1 2.368 0.00 . . . . . . . 118 TYR HB3 . 50808 1 1216 . 1 . 1 118 118 TYR HD1 H 1 6.928 0.00 . . . . . . . 118 TYR HD . 50808 1 1217 . 1 . 1 118 118 TYR HD2 H 1 6.928 0.00 . . . . . . . 118 TYR HD . 50808 1 1218 . 1 . 1 118 118 TYR HE1 H 1 6.841 0.00 . . . . . . . 118 TYR HE . 50808 1 1219 . 1 . 1 118 118 TYR HE2 H 1 6.841 0.00 . . . . . . . 118 TYR HE . 50808 1 1220 . 1 . 1 118 118 TYR C C 13 173.606 0.00 . . . . . . . 118 TYR C . 50808 1 1221 . 1 . 1 118 118 TYR CA C 13 55.793 0.04 . . . . . . . 118 TYR CA . 50808 1 1222 . 1 . 1 118 118 TYR CB C 13 41.051 0.04 . . . . . . . 118 TYR CB . 50808 1 1223 . 1 . 1 118 118 TYR CE1 C 13 118.218 0.00 . . . . . . . 118 TYR CE . 50808 1 1224 . 1 . 1 118 118 TYR CE2 C 13 118.218 0.00 . . . . . . . 118 TYR CE . 50808 1 1225 . 1 . 1 118 118 TYR N N 15 115.235 0.03 . . . . . . . 118 TYR N . 50808 1 1226 . 1 . 1 119 119 TRP H H 1 8.770 0.00 . . . . . . . 119 TRP H . 50808 1 1227 . 1 . 1 119 119 TRP HA H 1 4.923 0.01 . . . . . . . 119 TRP HA . 50808 1 1228 . 1 . 1 119 119 TRP HB2 H 1 3.455 0.00 . . . . . . . 119 TRP HB2 . 50808 1 1229 . 1 . 1 119 119 TRP HB3 H 1 2.890 0.00 . . . . . . . 119 TRP HB3 . 50808 1 1230 . 1 . 1 119 119 TRP HD1 H 1 6.985 0.00 . . . . . . . 119 TRP HD1 . 50808 1 1231 . 1 . 1 119 119 TRP C C 13 178.109 0.00 . . . . . . . 119 TRP C . 50808 1 1232 . 1 . 1 119 119 TRP CA C 13 56.925 0.07 . . . . . . . 119 TRP CA . 50808 1 1233 . 1 . 1 119 119 TRP CB C 13 33.736 0.07 . . . . . . . 119 TRP CB . 50808 1 1234 . 1 . 1 119 119 TRP CD1 C 13 125.289 0.00 . . . . . . . 119 TRP CD1 . 50808 1 1235 . 1 . 1 119 119 TRP N N 15 120.857 0.07 . . . . . . . 119 TRP N . 50808 1 1236 . 1 . 1 120 120 GLY H H 1 8.764 0.00 . . . . . . . 120 GLY H . 50808 1 1237 . 1 . 1 120 120 GLY HA2 H 1 4.928 0.00 . . . . . . . 120 GLY HA2 . 50808 1 1238 . 1 . 1 120 120 GLY HA3 H 1 4.496 0.00 . . . . . . . 120 GLY HA3 . 50808 1 1239 . 1 . 1 120 120 GLY C C 13 173.942 0.02 . . . . . . . 120 GLY C . 50808 1 1240 . 1 . 1 120 120 GLY CA C 13 45.138 0.06 . . . . . . . 120 GLY CA . 50808 1 1241 . 1 . 1 120 120 GLY N N 15 110.799 0.07 . . . . . . . 120 GLY N . 50808 1 1242 . 1 . 1 121 121 GLN H H 1 8.700 0.00 . . . . . . . 121 GLN H . 50808 1 1243 . 1 . 1 121 121 GLN HA H 1 4.618 0.00 . . . . . . . 121 GLN HA . 50808 1 1244 . 1 . 1 121 121 GLN HB2 H 1 2.442 0.00 . . . . . . . 121 GLN HB2 . 50808 1 1245 . 1 . 1 121 121 GLN HB3 H 1 2.289 0.00 . . . . . . . 121 GLN HB3 . 50808 1 1246 . 1 . 1 121 121 GLN HG2 H 1 2.683 0.00 . . . . . . . 121 GLN HG . 50808 1 1247 . 1 . 1 121 121 GLN HG3 H 1 2.683 0.00 . . . . . . . 121 GLN HG . 50808 1 1248 . 1 . 1 121 121 GLN C C 13 177.685 0.01 . . . . . . . 121 GLN C . 50808 1 1249 . 1 . 1 121 121 GLN CA C 13 56.655 0.06 . . . . . . . 121 GLN CA . 50808 1 1250 . 1 . 1 121 121 GLN CB C 13 30.638 0.06 . . . . . . . 121 GLN CB . 50808 1 1251 . 1 . 1 121 121 GLN CG C 13 34.441 0.00 . . . . . . . 121 GLN CG . 50808 1 1252 . 1 . 1 121 121 GLN N N 15 117.312 0.07 . . . . . . . 121 GLN N . 50808 1 1253 . 1 . 1 122 122 GLY H H 1 9.397 0.00 . . . . . . . 122 GLY H . 50808 1 1254 . 1 . 1 122 122 GLY HA2 H 1 3.675 0.00 . . . . . . . 122 GLY HA2 . 50808 1 1255 . 1 . 1 122 122 GLY HA3 H 1 3.487 0.00 . . . . . . . 122 GLY HA3 . 50808 1 1256 . 1 . 1 122 122 GLY C C 13 173.365 0.01 . . . . . . . 122 GLY C . 50808 1 1257 . 1 . 1 122 122 GLY CA C 13 44.173 0.03 . . . . . . . 122 GLY CA . 50808 1 1258 . 1 . 1 122 122 GLY N N 15 111.721 0.02 . . . . . . . 122 GLY N . 50808 1 1259 . 1 . 1 123 123 THR H H 1 8.727 0.00 . . . . . . . 123 THR H . 50808 1 1260 . 1 . 1 123 123 THR HA H 1 4.784 0.00 . . . . . . . 123 THR HA . 50808 1 1261 . 1 . 1 123 123 THR HB H 1 3.820 0.00 . . . . . . . 123 THR HB . 50808 1 1262 . 1 . 1 123 123 THR HG21 H 1 1.228 0.00 . . . . . . . 123 THR HG2 . 50808 1 1263 . 1 . 1 123 123 THR HG22 H 1 1.228 0.00 . . . . . . . 123 THR HG2 . 50808 1 1264 . 1 . 1 123 123 THR HG23 H 1 1.228 0.00 . . . . . . . 123 THR HG2 . 50808 1 1265 . 1 . 1 123 123 THR C C 13 172.145 0.01 . . . . . . . 123 THR C . 50808 1 1266 . 1 . 1 123 123 THR CA C 13 60.147 0.08 . . . . . . . 123 THR CA . 50808 1 1267 . 1 . 1 123 123 THR CB C 13 70.973 0.09 . . . . . . . 123 THR CB . 50808 1 1268 . 1 . 1 123 123 THR CG2 C 13 19.790 0.00 . . . . . . . 123 THR CG2 . 50808 1 1269 . 1 . 1 123 123 THR N N 15 116.554 0.05 . . . . . . . 123 THR N . 50808 1 1270 . 1 . 1 124 124 GLN H H 1 8.689 0.00 . . . . . . . 124 GLN H . 50808 1 1271 . 1 . 1 124 124 GLN HA H 1 4.482 0.00 . . . . . . . 124 GLN HA . 50808 1 1272 . 1 . 1 124 124 GLN HB2 H 1 2.079 0.01 . . . . . . . 124 GLN HB . 50808 1 1273 . 1 . 1 124 124 GLN HB3 H 1 2.079 0.01 . . . . . . . 124 GLN HB . 50808 1 1274 . 1 . 1 124 124 GLN HG2 H 1 2.280 0.00 . . . . . . . 124 GLN HG . 50808 1 1275 . 1 . 1 124 124 GLN HG3 H 1 2.280 0.00 . . . . . . . 124 GLN HG . 50808 1 1276 . 1 . 1 124 124 GLN C C 13 175.017 0.02 . . . . . . . 124 GLN C . 50808 1 1277 . 1 . 1 124 124 GLN CA C 13 56.957 0.05 . . . . . . . 124 GLN CA . 50808 1 1278 . 1 . 1 124 124 GLN CB C 13 29.663 0.05 . . . . . . . 124 GLN CB . 50808 1 1279 . 1 . 1 124 124 GLN CG C 13 33.701 0.00 . . . . . . . 124 GLN CG . 50808 1 1280 . 1 . 1 124 124 GLN N N 15 131.058 0.07 . . . . . . . 124 GLN N . 50808 1 1281 . 1 . 1 125 125 VAL H H 1 8.992 0.00 . . . . . . . 125 VAL H . 50808 1 1282 . 1 . 1 125 125 VAL HA H 1 4.431 0.00 . . . . . . . 125 VAL HA . 50808 1 1283 . 1 . 1 125 125 VAL HB H 1 2.443 0.01 . . . . . . . 125 VAL HB . 50808 1 1284 . 1 . 1 125 125 VAL HG11 H 1 0.651 0.00 . . . . . . . 125 VAL HG . 50808 1 1285 . 1 . 1 125 125 VAL HG12 H 1 0.651 0.00 . . . . . . . 125 VAL HG . 50808 1 1286 . 1 . 1 125 125 VAL HG13 H 1 0.651 0.00 . . . . . . . 125 VAL HG . 50808 1 1287 . 1 . 1 125 125 VAL HG21 H 1 0.651 0.00 . . . . . . . 125 VAL HG . 50808 1 1288 . 1 . 1 125 125 VAL HG22 H 1 0.651 0.00 . . . . . . . 125 VAL HG . 50808 1 1289 . 1 . 1 125 125 VAL HG23 H 1 0.651 0.00 . . . . . . . 125 VAL HG . 50808 1 1290 . 1 . 1 125 125 VAL C C 13 174.781 0.01 . . . . . . . 125 VAL C . 50808 1 1291 . 1 . 1 125 125 VAL CA C 13 62.279 0.04 . . . . . . . 125 VAL CA . 50808 1 1292 . 1 . 1 125 125 VAL CB C 13 34.261 0.05 . . . . . . . 125 VAL CB . 50808 1 1293 . 1 . 1 125 125 VAL CG1 C 13 23.505 0.00 . . . . . . . 125 VAL CG1 . 50808 1 1294 . 1 . 1 125 125 VAL CG2 C 13 20.366 0.00 . . . . . . . 125 VAL CG2 . 50808 1 1295 . 1 . 1 125 125 VAL N N 15 128.924 0.06 . . . . . . . 125 VAL N . 50808 1 1296 . 1 . 1 126 126 THR H H 1 8.554 0.00 . . . . . . . 126 THR H . 50808 1 1297 . 1 . 1 126 126 THR HA H 1 4.597 0.00 . . . . . . . 126 THR HA . 50808 1 1298 . 1 . 1 126 126 THR HB H 1 3.887 0.00 . . . . . . . 126 THR HB . 50808 1 1299 . 1 . 1 126 126 THR HG21 H 1 1.119 0.00 . . . . . . . 126 THR HG2 . 50808 1 1300 . 1 . 1 126 126 THR HG22 H 1 1.119 0.00 . . . . . . . 126 THR HG2 . 50808 1 1301 . 1 . 1 126 126 THR HG23 H 1 1.119 0.00 . . . . . . . 126 THR HG2 . 50808 1 1302 . 1 . 1 126 126 THR C C 13 171.743 0.01 . . . . . . . 126 THR C . 50808 1 1303 . 1 . 1 126 126 THR CA C 13 62.082 0.07 . . . . . . . 126 THR CA . 50808 1 1304 . 1 . 1 126 126 THR CB C 13 70.511 0.03 . . . . . . . 126 THR CB . 50808 1 1305 . 1 . 1 126 126 THR CG2 C 13 22.150 0.00 . . . . . . . 126 THR CG2 . 50808 1 1306 . 1 . 1 126 126 THR N N 15 125.320 0.06 . . . . . . . 126 THR N . 50808 1 1307 . 1 . 1 127 127 VAL H H 1 8.442 0.00 . . . . . . . 127 VAL H . 50808 1 1308 . 1 . 1 127 127 VAL HA H 1 4.754 0.00 . . . . . . . 127 VAL HA . 50808 1 1309 . 1 . 1 127 127 VAL HB H 1 1.884 0.00 . . . . . . . 127 VAL HB . 50808 1 1310 . 1 . 1 127 127 VAL HG11 H 1 0.640 0.00 . . . . . . . 127 VAL HG1 . 50808 1 1311 . 1 . 1 127 127 VAL HG12 H 1 0.640 0.00 . . . . . . . 127 VAL HG1 . 50808 1 1312 . 1 . 1 127 127 VAL HG13 H 1 0.640 0.00 . . . . . . . 127 VAL HG1 . 50808 1 1313 . 1 . 1 127 127 VAL HG21 H 1 0.422 0.00 . . . . . . . 127 VAL HG2 . 50808 1 1314 . 1 . 1 127 127 VAL HG22 H 1 0.422 0.00 . . . . . . . 127 VAL HG2 . 50808 1 1315 . 1 . 1 127 127 VAL HG23 H 1 0.422 0.00 . . . . . . . 127 VAL HG2 . 50808 1 1316 . 1 . 1 127 127 VAL C C 13 175.887 0.00 . . . . . . . 127 VAL C . 50808 1 1317 . 1 . 1 127 127 VAL CA C 13 60.133 0.06 . . . . . . . 127 VAL CA . 50808 1 1318 . 1 . 1 127 127 VAL CB C 13 32.155 0.08 . . . . . . . 127 VAL CB . 50808 1 1319 . 1 . 1 127 127 VAL CG1 C 13 20.495 0.00 . . . . . . . 127 VAL CG1 . 50808 1 1320 . 1 . 1 127 127 VAL CG2 C 13 20.495 0.00 . . . . . . . 127 VAL CG2 . 50808 1 1321 . 1 . 1 127 127 VAL N N 15 127.915 0.04 . . . . . . . 127 VAL N . 50808 1 1322 . 1 . 1 128 128 SER H H 1 8.695 0.00 . . . . . . . 128 SER H . 50808 1 1323 . 1 . 1 128 128 SER HA H 1 4.647 0.00 . . . . . . . 128 SER HA . 50808 1 1324 . 1 . 1 128 128 SER HB2 H 1 3.989 0.00 . . . . . . . 128 SER HB2 . 50808 1 1325 . 1 . 1 128 128 SER HB3 H 1 3.855 0.00 . . . . . . . 128 SER HB3 . 50808 1 1326 . 1 . 1 128 128 SER CA C 13 57.384 0.11 . . . . . . . 128 SER CA . 50808 1 1327 . 1 . 1 128 128 SER CB C 13 64.779 0.05 . . . . . . . 128 SER CB . 50808 1 1328 . 1 . 1 128 128 SER N N 15 122.164 0.06 . . . . . . . 128 SER N . 50808 1 1329 . 1 . 1 129 129 SER H H 1 8.380 0.00 . . . . . . . 129 SER H . 50808 1 1330 . 1 . 1 129 129 SER N N 15 108.636 0.16 . . . . . . . 129 SER N . 50808 1 stop_ save_