data_51288 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51288 _Entry.Title ; Resonance assignment of the enzyme KdgF from Bacteroides eggerthii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-23 _Entry.Accession_date 2022-01-23 _Entry.Last_release_date 2022-01-24 _Entry.Original_release_date 2022-01-24 _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 'Assignment for KdgF from Bacteroides eggerthii' _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 'Agnes Beenfeldt' Petersen . . . . 51288 2 'Idd Andrea' Christensen . . . . 51288 3 'Finn Lillelund' Aachmann . . . 0000-0003-1613-4663 51288 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51288 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 51288 '15N chemical shifts' 115 51288 '1H chemical shifts' 549 51288 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-09-28 2022-01-23 update BMRB 'update entry citation' 51288 1 . . 2022-09-19 2022-01-23 original author 'original release' 51288 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51288 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36042150 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N resonance assignment of the enzyme KdgF from Bacteroides eggerthii ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _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 343 _Citation.Page_last 347 _Citation.Year 2022 _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 'Agnes Beenfeldt' Petersen A. B. . . 51288 1 2 'Idd Andrea' Christensen I. A. . . 51288 1 3 Mette Ronne M. E. . . 51288 1 4 Emil Stender . . . . 51288 1 5 David Teze D. . . . 51288 1 6 Birte Svensson B. . . . 51288 1 7 'Finn Lillelund' Aachmann F. L. . . 51288 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51288 _Assembly.ID 1 _Assembly.Name KgdF _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _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 14137.04 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 KgdF 1 $entity_1 . . yes native no no . . . 51288 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; KdgF catalyses the conversion of 4,5-unsaturated monouronates to 4-deoxy-L-erythro-5-hexoseulose (DEH) which is a step in the degradation of alginate ; 51288 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51288 _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 ; MGSSHHHHHHGSMKTCSKVF LLENEISWEQVGEGIQRQIL GYDGQLMLVKVKFQKGAIGN AHEHFHSQSTYVVSGVFEFH VNGEKKIVKAGDGIYMEPDV LHGCTCLEAGILIDTFSPMR EDFINE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Amino acids 1-12 (MGSSHHHHHHGS) is a His-tag only for purification purpose and it is not cleaved from the protein. ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51288 1 2 . GLY . 51288 1 3 . SER . 51288 1 4 . SER . 51288 1 5 . HIS . 51288 1 6 . HIS . 51288 1 7 . HIS . 51288 1 8 . HIS . 51288 1 9 . HIS . 51288 1 10 . HIS . 51288 1 11 . GLY . 51288 1 12 . SER . 51288 1 13 . MET . 51288 1 14 . LYS . 51288 1 15 . THR . 51288 1 16 . CYS . 51288 1 17 . SER . 51288 1 18 . LYS . 51288 1 19 . VAL . 51288 1 20 . PHE . 51288 1 21 . LEU . 51288 1 22 . LEU . 51288 1 23 . GLU . 51288 1 24 . ASN . 51288 1 25 . GLU . 51288 1 26 . ILE . 51288 1 27 . SER . 51288 1 28 . TRP . 51288 1 29 . GLU . 51288 1 30 . GLN . 51288 1 31 . VAL . 51288 1 32 . GLY . 51288 1 33 . GLU . 51288 1 34 . GLY . 51288 1 35 . ILE . 51288 1 36 . GLN . 51288 1 37 . ARG . 51288 1 38 . GLN . 51288 1 39 . ILE . 51288 1 40 . LEU . 51288 1 41 . GLY . 51288 1 42 . TYR . 51288 1 43 . ASP . 51288 1 44 . GLY . 51288 1 45 . GLN . 51288 1 46 . LEU . 51288 1 47 . MET . 51288 1 48 . LEU . 51288 1 49 . VAL . 51288 1 50 . LYS . 51288 1 51 . VAL . 51288 1 52 . LYS . 51288 1 53 . PHE . 51288 1 54 . GLN . 51288 1 55 . LYS . 51288 1 56 . GLY . 51288 1 57 . ALA . 51288 1 58 . ILE . 51288 1 59 . GLY . 51288 1 60 . ASN . 51288 1 61 . ALA . 51288 1 62 . HIS . 51288 1 63 . GLU . 51288 1 64 . HIS . 51288 1 65 . PHE . 51288 1 66 . HIS . 51288 1 67 . SER . 51288 1 68 . GLN . 51288 1 69 . SER . 51288 1 70 . THR . 51288 1 71 . TYR . 51288 1 72 . VAL . 51288 1 73 . VAL . 51288 1 74 . SER . 51288 1 75 . GLY . 51288 1 76 . VAL . 51288 1 77 . PHE . 51288 1 78 . GLU . 51288 1 79 . PHE . 51288 1 80 . HIS . 51288 1 81 . VAL . 51288 1 82 . ASN . 51288 1 83 . GLY . 51288 1 84 . GLU . 51288 1 85 . LYS . 51288 1 86 . LYS . 51288 1 87 . ILE . 51288 1 88 . VAL . 51288 1 89 . LYS . 51288 1 90 . ALA . 51288 1 91 . GLY . 51288 1 92 . ASP . 51288 1 93 . GLY . 51288 1 94 . ILE . 51288 1 95 . TYR . 51288 1 96 . MET . 51288 1 97 . GLU . 51288 1 98 . PRO . 51288 1 99 . ASP . 51288 1 100 . VAL . 51288 1 101 . LEU . 51288 1 102 . HIS . 51288 1 103 . GLY . 51288 1 104 . CYS . 51288 1 105 . THR . 51288 1 106 . CYS . 51288 1 107 . LEU . 51288 1 108 . GLU . 51288 1 109 . ALA . 51288 1 110 . GLY . 51288 1 111 . ILE . 51288 1 112 . LEU . 51288 1 113 . ILE . 51288 1 114 . ASP . 51288 1 115 . THR . 51288 1 116 . PHE . 51288 1 117 . SER . 51288 1 118 . PRO . 51288 1 119 . MET . 51288 1 120 . ARG . 51288 1 121 . GLU . 51288 1 122 . ASP . 51288 1 123 . PHE . 51288 1 124 . ILE . 51288 1 125 . ASN . 51288 1 126 . GLU . 51288 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51288 1 . GLY 2 2 51288 1 . SER 3 3 51288 1 . SER 4 4 51288 1 . HIS 5 5 51288 1 . HIS 6 6 51288 1 . HIS 7 7 51288 1 . HIS 8 8 51288 1 . HIS 9 9 51288 1 . HIS 10 10 51288 1 . GLY 11 11 51288 1 . SER 12 12 51288 1 . MET 13 13 51288 1 . LYS 14 14 51288 1 . THR 15 15 51288 1 . CYS 16 16 51288 1 . SER 17 17 51288 1 . LYS 18 18 51288 1 . VAL 19 19 51288 1 . PHE 20 20 51288 1 . LEU 21 21 51288 1 . LEU 22 22 51288 1 . GLU 23 23 51288 1 . ASN 24 24 51288 1 . GLU 25 25 51288 1 . ILE 26 26 51288 1 . SER 27 27 51288 1 . TRP 28 28 51288 1 . GLU 29 29 51288 1 . GLN 30 30 51288 1 . VAL 31 31 51288 1 . GLY 32 32 51288 1 . GLU 33 33 51288 1 . GLY 34 34 51288 1 . ILE 35 35 51288 1 . GLN 36 36 51288 1 . ARG 37 37 51288 1 . GLN 38 38 51288 1 . ILE 39 39 51288 1 . LEU 40 40 51288 1 . GLY 41 41 51288 1 . TYR 42 42 51288 1 . ASP 43 43 51288 1 . GLY 44 44 51288 1 . GLN 45 45 51288 1 . LEU 46 46 51288 1 . MET 47 47 51288 1 . LEU 48 48 51288 1 . VAL 49 49 51288 1 . LYS 50 50 51288 1 . VAL 51 51 51288 1 . LYS 52 52 51288 1 . PHE 53 53 51288 1 . GLN 54 54 51288 1 . LYS 55 55 51288 1 . GLY 56 56 51288 1 . ALA 57 57 51288 1 . ILE 58 58 51288 1 . GLY 59 59 51288 1 . ASN 60 60 51288 1 . ALA 61 61 51288 1 . HIS 62 62 51288 1 . GLU 63 63 51288 1 . HIS 64 64 51288 1 . PHE 65 65 51288 1 . HIS 66 66 51288 1 . SER 67 67 51288 1 . GLN 68 68 51288 1 . SER 69 69 51288 1 . THR 70 70 51288 1 . TYR 71 71 51288 1 . VAL 72 72 51288 1 . VAL 73 73 51288 1 . SER 74 74 51288 1 . GLY 75 75 51288 1 . VAL 76 76 51288 1 . PHE 77 77 51288 1 . GLU 78 78 51288 1 . PHE 79 79 51288 1 . HIS 80 80 51288 1 . VAL 81 81 51288 1 . ASN 82 82 51288 1 . GLY 83 83 51288 1 . GLU 84 84 51288 1 . LYS 85 85 51288 1 . LYS 86 86 51288 1 . ILE 87 87 51288 1 . VAL 88 88 51288 1 . LYS 89 89 51288 1 . ALA 90 90 51288 1 . GLY 91 91 51288 1 . ASP 92 92 51288 1 . GLY 93 93 51288 1 . ILE 94 94 51288 1 . TYR 95 95 51288 1 . MET 96 96 51288 1 . GLU 97 97 51288 1 . PRO 98 98 51288 1 . ASP 99 99 51288 1 . VAL 100 100 51288 1 . LEU 101 101 51288 1 . HIS 102 102 51288 1 . GLY 103 103 51288 1 . CYS 104 104 51288 1 . THR 105 105 51288 1 . CYS 106 106 51288 1 . LEU 107 107 51288 1 . GLU 108 108 51288 1 . ALA 109 109 51288 1 . GLY 110 110 51288 1 . ILE 111 111 51288 1 . LEU 112 112 51288 1 . ILE 113 113 51288 1 . ASP 114 114 51288 1 . THR 115 115 51288 1 . PHE 116 116 51288 1 . SER 117 117 51288 1 . PRO 118 118 51288 1 . MET 119 119 51288 1 . ARG 120 120 51288 1 . GLU 121 121 51288 1 . ASP 122 122 51288 1 . PHE 123 123 51288 1 . ILE 124 124 51288 1 . ASN 125 125 51288 1 . GLU 126 126 51288 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 51288 _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 . 28111 organism . 'Bacteroides eggerthii DSM 20697' 'Bacteroides eggerthii' . . Bacteria . Bacteroides eggerthii 'ATCC 27754' 'NCTC 11155' . . . . . . . . . BN464_02423 . 51288 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 51288 _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 'T7 express' . . plasmid . . pET15b-USER-BeKdgF . . . 51288 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51288 _Sample.ID 1 _Sample.Name '13C 15N BegKdgF' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KdgF '[U-13C; U-15N]' . . 1 $entity_1 . . 0.92 0.8 1.04 mM . . . . 51288 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 51288 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51288 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51288 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 51288 1 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 51288 _Sample_condition_list.ID 1 _Sample_condition_list.Name '13C 15N BegKdgF' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1875 . M 51288 1 pH 7.2 . pH 51288 1 pressure 1 . atm 51288 1 temperature 298.1 . K 51288 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51288 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51288 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51288 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.8.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51288 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51288 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51288 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51288 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51288 4 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 51288 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51288 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 3 '2D 1H-13C HSQC aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 5 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 6 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 7 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 8 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 9 '3D HNHA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 10 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 11 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 12 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 13 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 1 14 TROSY-HNCACB no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51288 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 51288 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'condition 1' _Chem_shift_reference.Details ; The chemical shifts were recalibrated using the water signal (4.75 ppm at 25'C) for protons and using indirect calibration to DSS (for C: 0.25144952; N: 0.10132905). ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.25144952 . . . . . 51288 1 H 1 water protons . . . . ppm 4.75 internal direct 1 . . . . . 51288 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.10132905 . . . . . 51288 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 51288 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assin_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '1D 1H' . . . 51288 1 2 '2D 1H-15N HSQC' . . . 51288 1 3 '2D 1H-13C HSQC aliphatic' . . . 51288 1 4 '3D HNCO' . . . 51288 1 5 '3D HNCA' . . . 51288 1 6 '3D CBCANH' . . . 51288 1 7 '3D HN(CA)CO' . . . 51288 1 8 '3D HN(CO)CACB' . . . 51288 1 9 '3D HNHA' . . . 51288 1 10 '3D HBHA(CO)NH' . . . 51288 1 11 '3D HCCH-TOCSY' . . . 51288 1 12 '3D 1H-15N NOESY' . . . 51288 1 14 TROSY-HNCACB . . . 51288 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51288 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 10 10 HIS C C 13 175.9 0.3 . 1 . . . . . 10 HIS C . 51288 1 2 . 1 . 1 10 10 HIS CA C 13 56.2 0.3 . 1 . . . . . 10 HIS CA . 51288 1 3 . 1 . 1 10 10 HIS CB C 13 30.5 0.3 . 1 . . . . . 10 HIS CB . 51288 1 4 . 1 . 1 11 11 GLY H H 1 8.41 0.02 . 1 . . . . . 11 GLY H . 51288 1 5 . 1 . 1 11 11 GLY HA2 H 1 3.96 0.02 . 2 . . . . . 11 GLY HA2 . 51288 1 6 . 1 . 1 11 11 GLY HA3 H 1 3.91 0.02 . 2 . . . . . 11 GLY HA3 . 51288 1 7 . 1 . 1 11 11 GLY C C 13 174.2 0.3 . 1 . . . . . 11 GLY C . 51288 1 8 . 1 . 1 11 11 GLY CA C 13 45.3 0.3 . 1 . . . . . 11 GLY CA . 51288 1 9 . 1 . 1 11 11 GLY N N 15 110.4 0.3 . 1 . . . . . 11 GLY N . 51288 1 10 . 1 . 1 12 12 SER H H 1 8.28 0.02 . 1 . . . . . 12 SER H . 51288 1 11 . 1 . 1 12 12 SER HA H 1 4.43 0.02 . 1 . . . . . 12 SER HA . 51288 1 12 . 1 . 1 12 12 SER C C 13 174.6 0.3 . 1 . . . . . 12 SER C . 51288 1 13 . 1 . 1 12 12 SER CA C 13 58.4 0.3 . 1 . . . . . 12 SER CA . 51288 1 14 . 1 . 1 12 12 SER CB C 13 63.7 0.3 . 1 . . . . . 12 SER CB . 51288 1 15 . 1 . 1 12 12 SER N N 15 115.9 0.3 . 1 . . . . . 12 SER N . 51288 1 16 . 1 . 1 13 13 MET H H 1 8.36 0.02 . 1 . . . . . 13 MET H . 51288 1 17 . 1 . 1 13 13 MET HA H 1 4.47 0.02 . 1 . . . . . 13 MET HA . 51288 1 18 . 1 . 1 13 13 MET HB2 H 1 2.06 0.02 . 2 . . . . . 13 MET HB2 . 51288 1 19 . 1 . 1 13 13 MET HB3 H 1 1.98 0.02 . 2 . . . . . 13 MET HB3 . 51288 1 20 . 1 . 1 13 13 MET HG2 H 1 2.54 0.02 . 2 . . . . . 13 MET HG2 . 51288 1 21 . 1 . 1 13 13 MET HG3 H 1 2.47 0.02 . 2 . . . . . 13 MET HG3 . 51288 1 22 . 1 . 1 13 13 MET C C 13 176.0 0.3 . 1 . . . . . 13 MET C . 51288 1 23 . 1 . 1 13 13 MET CA C 13 55.5 0.3 . 1 . . . . . 13 MET CA . 51288 1 24 . 1 . 1 13 13 MET CB C 13 30.4 0.3 . 1 . . . . . 13 MET CB . 51288 1 25 . 1 . 1 13 13 MET CG C 13 32.0 0.3 . 1 . . . . . 13 MET CG . 51288 1 26 . 1 . 1 13 13 MET N N 15 122.0 0.3 . 1 . . . . . 13 MET N . 51288 1 27 . 1 . 1 14 14 LYS H H 1 8.34 0.02 . 1 . . . . . 14 LYS H . 51288 1 28 . 1 . 1 14 14 LYS HA H 1 4.38 0.02 . 1 . . . . . 14 LYS HA . 51288 1 29 . 1 . 1 14 14 LYS HB2 H 1 1.84 0.02 . 2 . . . . . 14 LYS HB2 . 51288 1 30 . 1 . 1 14 14 LYS HB3 H 1 1.73 0.02 . 2 . . . . . 14 LYS HB3 . 51288 1 31 . 1 . 1 14 14 LYS HG2 H 1 1.44 0.02 . 2 . . . . . 14 LYS HG2 . 51288 1 32 . 1 . 1 14 14 LYS HG3 H 1 1.35 0.02 . 2 . . . . . 14 LYS HG3 . 51288 1 33 . 1 . 1 14 14 LYS C C 13 176.4 0.3 . 1 . . . . . 14 LYS C . 51288 1 34 . 1 . 1 14 14 LYS CA C 13 56.2 0.3 . 1 . . . . . 14 LYS CA . 51288 1 35 . 1 . 1 14 14 LYS CB C 13 32.8 0.3 . 1 . . . . . 14 LYS CB . 51288 1 36 . 1 . 1 14 14 LYS CG C 13 24.9 0.3 . 1 . . . . . 14 LYS CG . 51288 1 37 . 1 . 1 14 14 LYS CD C 13 29.2 0.3 . 1 . . . . . 14 LYS CD . 51288 1 38 . 1 . 1 14 14 LYS CE C 13 42.0 0.3 . 1 . . . . . 14 LYS CE . 51288 1 39 . 1 . 1 14 14 LYS N N 15 122.7 0.3 . 1 . . . . . 14 LYS N . 51288 1 40 . 1 . 1 15 15 THR H H 1 8.18 0.02 . 1 . . . . . 15 THR H . 51288 1 41 . 1 . 1 15 15 THR HA H 1 4.35 0.02 . 1 . . . . . 15 THR HA . 51288 1 42 . 1 . 1 15 15 THR HB H 1 4.16 0.02 . 1 . . . . . 15 THR HB . 51288 1 43 . 1 . 1 15 15 THR HG21 H 1 1.15 0.02 . 1 . . . . . 15 THR HG2 . 51288 1 44 . 1 . 1 15 15 THR HG22 H 1 1.15 0.02 . 1 . . . . . 15 THR HG2 . 51288 1 45 . 1 . 1 15 15 THR HG23 H 1 1.15 0.02 . 1 . . . . . 15 THR HG2 . 51288 1 46 . 1 . 1 15 15 THR C C 13 172.9 0.3 . 1 . . . . . 15 THR C . 51288 1 47 . 1 . 1 15 15 THR CA C 13 61.1 0.3 . 1 . . . . . 15 THR CA . 51288 1 48 . 1 . 1 15 15 THR CB C 13 69.7 0.3 . 1 . . . . . 15 THR CB . 51288 1 49 . 1 . 1 15 15 THR CG2 C 13 21.4 0.3 . 1 . . . . . 15 THR CG2 . 51288 1 50 . 1 . 1 15 15 THR N N 15 116.3 0.3 . 1 . . . . . 15 THR N . 51288 1 51 . 1 . 1 16 16 CYS H H 1 7.59 0.02 . 1 . . . . . 16 CYS H . 51288 1 52 . 1 . 1 16 16 CYS HA H 1 4.38 0.02 . 1 . . . . . 16 CYS HA . 51288 1 53 . 1 . 1 16 16 CYS HB2 H 1 2.71 0.02 . 1 . . . . . 16 CYS HB2 . 51288 1 54 . 1 . 1 16 16 CYS C C 13 172.8 0.3 . 1 . . . . . 16 CYS C . 51288 1 55 . 1 . 1 16 16 CYS CA C 13 56.1 0.3 . 1 . . . . . 16 CYS CA . 51288 1 56 . 1 . 1 16 16 CYS CB C 13 31.3 0.3 . 1 . . . . . 16 CYS CB . 51288 1 57 . 1 . 1 16 16 CYS N N 15 116.5 0.3 . 1 . . . . . 16 CYS N . 51288 1 58 . 1 . 1 17 17 SER H H 1 7.57 0.02 . 1 . . . . . 17 SER H . 51288 1 59 . 1 . 1 17 17 SER HA H 1 3.98 0.02 . 1 . . . . . 17 SER HA . 51288 1 60 . 1 . 1 17 17 SER HB2 H 1 3.48 0.02 . 2 . . . . . 17 SER HB2 . 51288 1 61 . 1 . 1 17 17 SER HB3 H 1 3.46 0.02 . 2 . . . . . 17 SER HB3 . 51288 1 62 . 1 . 1 17 17 SER C C 13 174.3 0.3 . 1 . . . . . 17 SER C . 51288 1 63 . 1 . 1 17 17 SER CA C 13 57.1 0.3 . 1 . . . . . 17 SER CA . 51288 1 64 . 1 . 1 17 17 SER CB C 13 65.7 0.3 . 1 . . . . . 17 SER CB . 51288 1 65 . 1 . 1 17 17 SER N N 15 114.6 0.3 . 1 . . . . . 17 SER N . 51288 1 66 . 1 . 1 18 18 LYS H H 1 7.65 0.02 . 1 . . . . . 18 LYS H . 51288 1 67 . 1 . 1 18 18 LYS HA H 1 4.31 0.02 . 1 . . . . . 18 LYS HA . 51288 1 68 . 1 . 1 18 18 LYS HB2 H 1 2.00 0.02 . 2 . . . . . 18 LYS HB2 . 51288 1 69 . 1 . 1 18 18 LYS HB3 H 1 1.60 0.02 . 2 . . . . . 18 LYS HB3 . 51288 1 70 . 1 . 1 18 18 LYS HD2 H 1 1.80 0.02 . 2 . . . . . 18 LYS HD2 . 51288 1 71 . 1 . 1 18 18 LYS HD3 H 1 1.76 0.02 . 2 . . . . . 18 LYS HD3 . 51288 1 72 . 1 . 1 18 18 LYS C C 13 174.2 0.3 . 1 . . . . . 18 LYS C . 51288 1 73 . 1 . 1 18 18 LYS CA C 13 56.4 0.3 . 1 . . . . . 18 LYS CA . 51288 1 74 . 1 . 1 18 18 LYS CB C 13 32.8 0.3 . 1 . . . . . 18 LYS CB . 51288 1 75 . 1 . 1 18 18 LYS CG C 13 25.4 0.3 . 1 . . . . . 18 LYS CG . 51288 1 76 . 1 . 1 18 18 LYS CD C 13 29.2 0.3 . 1 . . . . . 18 LYS CD . 51288 1 77 . 1 . 1 18 18 LYS CE C 13 41.9 0.3 . 1 . . . . . 18 LYS CE . 51288 1 78 . 1 . 1 18 18 LYS N N 15 115.8 0.3 . 1 . . . . . 18 LYS N . 51288 1 79 . 1 . 1 19 19 VAL H H 1 7.60 0.02 . 1 . . . . . 19 VAL H . 51288 1 80 . 1 . 1 19 19 VAL HA H 1 3.89 0.02 . 1 . . . . . 19 VAL HA . 51288 1 81 . 1 . 1 19 19 VAL HB H 1 1.59 0.02 . 1 . . . . . 19 VAL HB . 51288 1 82 . 1 . 1 19 19 VAL HG11 H 1 0.96 0.02 . 1 . . . . . 19 VAL HG1 . 51288 1 83 . 1 . 1 19 19 VAL HG12 H 1 0.96 0.02 . 1 . . . . . 19 VAL HG1 . 51288 1 84 . 1 . 1 19 19 VAL HG13 H 1 0.96 0.02 . 1 . . . . . 19 VAL HG1 . 51288 1 85 . 1 . 1 19 19 VAL HG21 H 1 0.04 0.02 . 1 . . . . . 19 VAL HG2 . 51288 1 86 . 1 . 1 19 19 VAL HG22 H 1 0.04 0.02 . 1 . . . . . 19 VAL HG2 . 51288 1 87 . 1 . 1 19 19 VAL HG23 H 1 0.04 0.02 . 1 . . . . . 19 VAL HG2 . 51288 1 88 . 1 . 1 19 19 VAL C C 13 174.9 0.3 . 1 . . . . . 19 VAL C . 51288 1 89 . 1 . 1 19 19 VAL CA C 13 66.0 0.3 . 1 . . . . . 19 VAL CA . 51288 1 90 . 1 . 1 19 19 VAL CB C 13 32.6 0.3 . 1 . . . . . 19 VAL CB . 51288 1 91 . 1 . 1 19 19 VAL CG1 C 13 22.5 0.3 . 1 . . . . . 19 VAL CG1 . 51288 1 92 . 1 . 1 19 19 VAL CG2 C 13 20.1 0.3 . 1 . . . . . 19 VAL CG2 . 51288 1 93 . 1 . 1 19 19 VAL N N 15 117.8 0.3 . 1 . . . . . 19 VAL N . 51288 1 94 . 1 . 1 20 20 PHE H H 1 7.59 0.02 . 1 . . . . . 20 PHE H . 51288 1 95 . 1 . 1 20 20 PHE HA H 1 4.85 0.02 . 1 . . . . . 20 PHE HA . 51288 1 96 . 1 . 1 20 20 PHE C C 13 174.6 0.3 . 1 . . . . . 20 PHE C . 51288 1 97 . 1 . 1 20 20 PHE CA C 13 56.9 0.3 . 1 . . . . . 20 PHE CA . 51288 1 98 . 1 . 1 20 20 PHE CB C 13 39.9 0.3 . 1 . . . . . 20 PHE CB . 51288 1 99 . 1 . 1 20 20 PHE N N 15 112.1 0.3 . 1 . . . . . 20 PHE N . 51288 1 100 . 1 . 1 21 21 LEU H H 1 9.07 0.02 . 1 . . . . . 21 LEU H . 51288 1 101 . 1 . 1 21 21 LEU HA H 1 4.28 0.02 . 1 . . . . . 21 LEU HA . 51288 1 102 . 1 . 1 21 21 LEU C C 13 172.9 0.3 . 1 . . . . . 21 LEU C . 51288 1 103 . 1 . 1 21 21 LEU CA C 13 52.6 0.3 . 1 . . . . . 21 LEU CA . 51288 1 104 . 1 . 1 21 21 LEU CB C 13 39.3 0.3 . 1 . . . . . 21 LEU CB . 51288 1 105 . 1 . 1 21 21 LEU N N 15 129.3 0.3 . 1 . . . . . 21 LEU N . 51288 1 106 . 1 . 1 22 22 LEU H H 1 8.27 0.02 . 1 . . . . . 22 LEU H . 51288 1 107 . 1 . 1 22 22 LEU HA H 1 4.66 0.02 . 1 . . . . . 22 LEU HA . 51288 1 108 . 1 . 1 22 22 LEU C C 13 178.3 0.3 . 1 . . . . . 22 LEU C . 51288 1 109 . 1 . 1 22 22 LEU CA C 13 53.0 0.3 . 1 . . . . . 22 LEU CA . 51288 1 110 . 1 . 1 22 22 LEU CB C 13 40.5 0.3 . 1 . . . . . 22 LEU CB . 51288 1 111 . 1 . 1 22 22 LEU N N 15 124.0 0.3 . 1 . . . . . 22 LEU N . 51288 1 112 . 1 . 1 23 23 GLU H H 1 9.11 0.02 . 1 . . . . . 23 GLU H . 51288 1 113 . 1 . 1 23 23 GLU HA H 1 3.83 0.02 . 1 . . . . . 23 GLU HA . 51288 1 114 . 1 . 1 23 23 GLU HB2 H 1 2.17 0.02 . 2 . . . . . 23 GLU HB2 . 51288 1 115 . 1 . 1 23 23 GLU HB3 H 1 2.13 0.02 . 2 . . . . . 23 GLU HB3 . 51288 1 116 . 1 . 1 23 23 GLU HG2 H 1 2.32 0.02 . 2 . . . . . 23 GLU HG2 . 51288 1 117 . 1 . 1 23 23 GLU HG3 H 1 2.29 0.02 . 2 . . . . . 23 GLU HG3 . 51288 1 118 . 1 . 1 23 23 GLU C C 13 177.8 0.3 . 1 . . . . . 23 GLU C . 51288 1 119 . 1 . 1 23 23 GLU CA C 13 59.9 0.3 . 1 . . . . . 23 GLU CA . 51288 1 120 . 1 . 1 23 23 GLU CB C 13 29.2 0.3 . 1 . . . . . 23 GLU CB . 51288 1 121 . 1 . 1 23 23 GLU CG C 13 36.7 0.3 . 1 . . . . . 23 GLU CG . 51288 1 122 . 1 . 1 23 23 GLU N N 15 125.0 0.3 . 1 . . . . . 23 GLU N . 51288 1 123 . 1 . 1 24 24 ASN H H 1 8.53 0.02 . 1 . . . . . 24 ASN H . 51288 1 124 . 1 . 1 24 24 ASN HA H 1 4.65 0.02 . 1 . . . . . 24 ASN HA . 51288 1 125 . 1 . 1 24 24 ASN HB2 H 1 2.92 0.02 . 2 . . . . . 24 ASN HB2 . 51288 1 126 . 1 . 1 24 24 ASN HB3 H 1 2.82 0.02 . 2 . . . . . 24 ASN HB3 . 51288 1 127 . 1 . 1 24 24 ASN HD21 H 1 7.62 0.02 . 1 . . . . . 24 ASN HD21 . 51288 1 128 . 1 . 1 24 24 ASN HD22 H 1 6.93 0.02 . 1 . . . . . 24 ASN HD22 . 51288 1 129 . 1 . 1 24 24 ASN C C 13 175.9 0.3 . 1 . . . . . 24 ASN C . 51288 1 130 . 1 . 1 24 24 ASN CA C 13 54.5 0.3 . 1 . . . . . 24 ASN CA . 51288 1 131 . 1 . 1 24 24 ASN CB C 13 37.7 0.3 . 1 . . . . . 24 ASN CB . 51288 1 132 . 1 . 1 24 24 ASN CG C 13 177.0 0.3 . 1 . . . . . 24 ASN CG . 51288 1 133 . 1 . 1 24 24 ASN N N 15 110.8 0.3 . 1 . . . . . 24 ASN N . 51288 1 134 . 1 . 1 24 24 ASN ND2 N 15 112.9 0.3 . 1 . . . . . 24 ASN ND2 . 51288 1 135 . 1 . 1 25 25 GLU H H 1 8.10 0.02 . 1 . . . . . 25 GLU H . 51288 1 136 . 1 . 1 25 25 GLU HA H 1 4.43 0.02 . 1 . . . . . 25 GLU HA . 51288 1 137 . 1 . 1 25 25 GLU HB2 H 1 2.27 0.02 . 2 . . . . . 25 GLU HB2 . 51288 1 138 . 1 . 1 25 25 GLU HB3 H 1 2.20 0.02 . 2 . . . . . 25 GLU HB3 . 51288 1 139 . 1 . 1 25 25 GLU HG2 H 1 2.55 0.02 . 2 . . . . . 25 GLU HG2 . 51288 1 140 . 1 . 1 25 25 GLU HG3 H 1 2.45 0.02 . 2 . . . . . 25 GLU HG3 . 51288 1 141 . 1 . 1 25 25 GLU C C 13 175.7 0.3 . 1 . . . . . 25 GLU C . 51288 1 142 . 1 . 1 25 25 GLU CA C 13 56.0 0.3 . 1 . . . . . 25 GLU CA . 51288 1 143 . 1 . 1 25 25 GLU CB C 13 30.9 0.3 . 1 . . . . . 25 GLU CB . 51288 1 144 . 1 . 1 25 25 GLU N N 15 117.6 0.3 . 1 . . . . . 25 GLU N . 51288 1 145 . 1 . 1 26 26 ILE H H 1 7.08 0.02 . 1 . . . . . 26 ILE H . 51288 1 146 . 1 . 1 26 26 ILE HA H 1 4.23 0.02 . 1 . . . . . 26 ILE HA . 51288 1 147 . 1 . 1 26 26 ILE HB H 1 1.44 0.02 . 1 . . . . . 26 ILE HB . 51288 1 148 . 1 . 1 26 26 ILE HG12 H 1 1.40 0.02 . 2 . . . . . 26 ILE HG12 . 51288 1 149 . 1 . 1 26 26 ILE HG13 H 1 1.22 0.02 . 2 . . . . . 26 ILE HG13 . 51288 1 150 . 1 . 1 26 26 ILE HG21 H 1 0.89 0.02 . 1 . . . . . 26 ILE HG2 . 51288 1 151 . 1 . 1 26 26 ILE HG22 H 1 0.89 0.02 . 1 . . . . . 26 ILE HG2 . 51288 1 152 . 1 . 1 26 26 ILE HG23 H 1 0.89 0.02 . 1 . . . . . 26 ILE HG2 . 51288 1 153 . 1 . 1 26 26 ILE HD11 H 1 0.68 0.02 . 1 . . . . . 26 ILE HD1 . 51288 1 154 . 1 . 1 26 26 ILE HD12 H 1 0.68 0.02 . 1 . . . . . 26 ILE HD1 . 51288 1 155 . 1 . 1 26 26 ILE HD13 H 1 0.68 0.02 . 1 . . . . . 26 ILE HD1 . 51288 1 156 . 1 . 1 26 26 ILE C C 13 175.7 0.3 . 1 . . . . . 26 ILE C . 51288 1 157 . 1 . 1 26 26 ILE CA C 13 59.5 0.3 . 1 . . . . . 26 ILE CA . 51288 1 158 . 1 . 1 26 26 ILE CB C 13 39.3 0.3 . 1 . . . . . 26 ILE CB . 51288 1 159 . 1 . 1 26 26 ILE CG1 C 13 26.9 0.3 . 1 . . . . . 26 ILE CG1 . 51288 1 160 . 1 . 1 26 26 ILE CG2 C 13 17.6 0.3 . 1 . . . . . 26 ILE CG2 . 51288 1 161 . 1 . 1 26 26 ILE CD1 C 13 13.3 0.3 . 1 . . . . . 26 ILE CD1 . 51288 1 162 . 1 . 1 26 26 ILE N N 15 122.1 0.3 . 1 . . . . . 26 ILE N . 51288 1 163 . 1 . 1 27 27 SER H H 1 8.63 0.02 . 1 . . . . . 27 SER H . 51288 1 164 . 1 . 1 27 27 SER HA H 1 4.43 0.02 . 1 . . . . . 27 SER HA . 51288 1 165 . 1 . 1 27 27 SER HB2 H 1 3.87 0.02 . 2 . . . . . 27 SER HB2 . 51288 1 166 . 1 . 1 27 27 SER HB3 H 1 3.82 0.02 . 2 . . . . . 27 SER HB3 . 51288 1 167 . 1 . 1 27 27 SER C C 13 174.7 0.3 . 1 . . . . . 27 SER C . 51288 1 168 . 1 . 1 27 27 SER CA C 13 59.2 0.3 . 1 . . . . . 27 SER CA . 51288 1 169 . 1 . 1 27 27 SER CB C 13 63.7 0.3 . 1 . . . . . 27 SER CB . 51288 1 170 . 1 . 1 27 27 SER N N 15 123.3 0.3 . 1 . . . . . 27 SER N . 51288 1 171 . 1 . 1 28 28 TRP H H 1 8.71 0.02 . 1 . . . . . 28 TRP H . 51288 1 172 . 1 . 1 28 28 TRP HA H 1 4.73 0.02 . 1 . . . . . 28 TRP HA . 51288 1 173 . 1 . 1 28 28 TRP HB2 H 1 3.00 0.02 . 2 . . . . . 28 TRP HB2 . 51288 1 174 . 1 . 1 28 28 TRP HB3 H 1 2.92 0.02 . 2 . . . . . 28 TRP HB3 . 51288 1 175 . 1 . 1 28 28 TRP HD1 H 1 7.18 0.02 . 1 . . . . . 28 TRP HD1 . 51288 1 176 . 1 . 1 28 28 TRP HE1 H 1 10.29 0.02 . 1 . . . . . 28 TRP HE1 . 51288 1 177 . 1 . 1 28 28 TRP C C 13 176.8 0.3 . 1 . . . . . 28 TRP C . 51288 1 178 . 1 . 1 28 28 TRP CA C 13 57.3 0.3 . 1 . . . . . 28 TRP CA . 51288 1 179 . 1 . 1 28 28 TRP CB C 13 30.2 0.3 . 1 . . . . . 28 TRP CB . 51288 1 180 . 1 . 1 28 28 TRP N N 15 123.7 0.3 . 1 . . . . . 28 TRP N . 51288 1 181 . 1 . 1 28 28 TRP NE1 N 15 131.4 0.3 . 1 . . . . . 28 TRP NE1 . 51288 1 182 . 1 . 1 29 29 GLU H H 1 9.52 0.02 . 1 . . . . . 29 GLU H . 51288 1 183 . 1 . 1 29 29 GLU HA H 1 4.65 0.02 . 1 . . . . . 29 GLU HA . 51288 1 184 . 1 . 1 29 29 GLU HB2 H 1 1.89 0.02 . 2 . . . . . 29 GLU HB2 . 51288 1 185 . 1 . 1 29 29 GLU HB3 H 1 1.80 0.02 . 2 . . . . . 29 GLU HB3 . 51288 1 186 . 1 . 1 29 29 GLU HG2 H 1 2.19 0.02 . 2 . . . . . 29 GLU HG2 . 51288 1 187 . 1 . 1 29 29 GLU HG3 H 1 2.07 0.02 . 2 . . . . . 29 GLU HG3 . 51288 1 188 . 1 . 1 29 29 GLU C C 13 176.2 0.3 . 1 . . . . . 29 GLU C . 51288 1 189 . 1 . 1 29 29 GLU CA C 13 54.6 0.3 . 1 . . . . . 29 GLU CA . 51288 1 190 . 1 . 1 29 29 GLU CB C 13 32.4 0.3 . 1 . . . . . 29 GLU CB . 51288 1 191 . 1 . 1 29 29 GLU CG C 13 35.9 0.3 . 1 . . . . . 29 GLU CG . 51288 1 192 . 1 . 1 29 29 GLU N N 15 124.0 0.3 . 1 . . . . . 29 GLU N . 51288 1 193 . 1 . 1 30 30 GLN H H 1 9.08 0.02 . 1 . . . . . 30 GLN H . 51288 1 194 . 1 . 1 30 30 GLN HA H 1 4.31 0.02 . 1 . . . . . 30 GLN HA . 51288 1 195 . 1 . 1 30 30 GLN HE21 H 1 7.43 0.02 . 1 . . . . . 30 GLN HE21 . 51288 1 196 . 1 . 1 30 30 GLN HE22 H 1 6.95 0.02 . 1 . . . . . 30 GLN HE22 . 51288 1 197 . 1 . 1 30 30 GLN C C 13 175.9 0.3 . 1 . . . . . 30 GLN C . 51288 1 198 . 1 . 1 30 30 GLN CA C 13 56.4 0.3 . 1 . . . . . 30 GLN CA . 51288 1 199 . 1 . 1 30 30 GLN CB C 13 28.5 0.3 . 1 . . . . . 30 GLN CB . 51288 1 200 . 1 . 1 30 30 GLN CG C 13 33.5 0.3 . 1 . . . . . 30 GLN CG . 51288 1 201 . 1 . 1 30 30 GLN CD C 13 179.9 0.3 . 1 . . . . . 30 GLN CD . 51288 1 202 . 1 . 1 30 30 GLN N N 15 125.9 0.3 . 1 . . . . . 30 GLN N . 51288 1 203 . 1 . 1 30 30 GLN NE2 N 15 113.6 0.3 . 1 . . . . . 30 GLN NE2 . 51288 1 204 . 1 . 1 31 31 VAL H H 1 8.22 0.02 . 1 . . . . . 31 VAL H . 51288 1 205 . 1 . 1 31 31 VAL HA H 1 4.10 0.02 . 1 . . . . . 31 VAL HA . 51288 1 206 . 1 . 1 31 31 VAL HB H 1 1.71 0.02 . 1 . . . . . 31 VAL HB . 51288 1 207 . 1 . 1 31 31 VAL HG11 H 1 0.62 0.02 . 1 . . . . . 31 VAL HG1 . 51288 1 208 . 1 . 1 31 31 VAL HG12 H 1 0.62 0.02 . 1 . . . . . 31 VAL HG1 . 51288 1 209 . 1 . 1 31 31 VAL HG13 H 1 0.62 0.02 . 1 . . . . . 31 VAL HG1 . 51288 1 210 . 1 . 1 31 31 VAL HG21 H 1 0.52 0.02 . 1 . . . . . 31 VAL HG2 . 51288 1 211 . 1 . 1 31 31 VAL HG22 H 1 0.52 0.02 . 1 . . . . . 31 VAL HG2 . 51288 1 212 . 1 . 1 31 31 VAL HG23 H 1 0.52 0.02 . 1 . . . . . 31 VAL HG2 . 51288 1 213 . 1 . 1 31 31 VAL C C 13 175.3 0.3 . 1 . . . . . 31 VAL C . 51288 1 214 . 1 . 1 31 31 VAL CA C 13 62.3 0.3 . 1 . . . . . 31 VAL CA . 51288 1 215 . 1 . 1 31 31 VAL CB C 13 32.8 0.3 . 1 . . . . . 31 VAL CB . 51288 1 216 . 1 . 1 31 31 VAL CG1 C 13 20.7 0.3 . 1 . . . . . 31 VAL CG1 . 51288 1 217 . 1 . 1 31 31 VAL CG2 C 13 20.4 0.3 . 1 . . . . . 31 VAL CG2 . 51288 1 218 . 1 . 1 31 31 VAL N N 15 124.4 0.3 . 1 . . . . . 31 VAL N . 51288 1 219 . 1 . 1 32 32 GLY H H 1 7.74 0.02 . 1 . . . . . 32 GLY H . 51288 1 220 . 1 . 1 32 32 GLY HA2 H 1 4.10 0.02 . 2 . . . . . 32 GLY HA2 . 51288 1 221 . 1 . 1 32 32 GLY HA3 H 1 3.85 0.02 . 2 . . . . . 32 GLY HA3 . 51288 1 222 . 1 . 1 32 32 GLY C C 13 172.5 0.3 . 1 . . . . . 32 GLY C . 51288 1 223 . 1 . 1 32 32 GLY CA C 13 44.2 0.3 . 1 . . . . . 32 GLY CA . 51288 1 224 . 1 . 1 32 32 GLY N N 15 107.8 0.3 . 1 . . . . . 32 GLY N . 51288 1 225 . 1 . 1 33 33 GLU H H 1 8.82 0.02 . 1 . . . . . 33 GLU H . 51288 1 226 . 1 . 1 33 33 GLU HA H 1 4.10 0.02 . 1 . . . . . 33 GLU HA . 51288 1 227 . 1 . 1 33 33 GLU HB2 H 1 2.02 0.02 . 2 . . . . . 33 GLU HB2 . 51288 1 228 . 1 . 1 33 33 GLU HB3 H 1 1.97 0.02 . 2 . . . . . 33 GLU HB3 . 51288 1 229 . 1 . 1 33 33 GLU HG2 H 1 2.19 0.02 . 2 . . . . . 33 GLU HG2 . 51288 1 230 . 1 . 1 33 33 GLU HG3 H 1 2.16 0.02 . 2 . . . . . 33 GLU HG3 . 51288 1 231 . 1 . 1 33 33 GLU C C 13 177.4 0.3 . 1 . . . . . 33 GLU C . 51288 1 232 . 1 . 1 33 33 GLU CA C 13 58.0 0.3 . 1 . . . . . 33 GLU CA . 51288 1 233 . 1 . 1 33 33 GLU CB C 13 28.5 0.3 . 1 . . . . . 33 GLU CB . 51288 1 234 . 1 . 1 33 33 GLU CG C 13 36.6 0.3 . 1 . . . . . 33 GLU CG . 51288 1 235 . 1 . 1 33 33 GLU N N 15 123.0 0.3 . 1 . . . . . 33 GLU N . 51288 1 236 . 1 . 1 34 34 GLY H H 1 8.78 0.02 . 1 . . . . . 34 GLY H . 51288 1 237 . 1 . 1 34 34 GLY HA2 H 1 4.02 0.02 . 2 . . . . . 34 GLY HA2 . 51288 1 238 . 1 . 1 34 34 GLY HA3 H 1 3.68 0.02 . 2 . . . . . 34 GLY HA3 . 51288 1 239 . 1 . 1 34 34 GLY C C 13 173.1 0.3 . 1 . . . . . 34 GLY C . 51288 1 240 . 1 . 1 34 34 GLY CA C 13 46.0 0.3 . 1 . . . . . 34 GLY CA . 51288 1 241 . 1 . 1 34 34 GLY N N 15 115.4 0.3 . 1 . . . . . 34 GLY N . 51288 1 242 . 1 . 1 35 35 ILE H H 1 7.29 0.02 . 1 . . . . . 35 ILE H . 51288 1 243 . 1 . 1 35 35 ILE HA H 1 4.72 0.02 . 1 . . . . . 35 ILE HA . 51288 1 244 . 1 . 1 35 35 ILE HB H 1 0.87 0.02 . 1 . . . . . 35 ILE HB . 51288 1 245 . 1 . 1 35 35 ILE HG21 H 1 -0.03 0.02 . 1 . . . . . 35 ILE HG2 . 51288 1 246 . 1 . 1 35 35 ILE HG22 H 1 -0.03 0.02 . 1 . . . . . 35 ILE HG2 . 51288 1 247 . 1 . 1 35 35 ILE HG23 H 1 -0.03 0.02 . 1 . . . . . 35 ILE HG2 . 51288 1 248 . 1 . 1 35 35 ILE HD11 H 1 0.47 0.02 . 1 . . . . . 35 ILE HD1 . 51288 1 249 . 1 . 1 35 35 ILE HD12 H 1 0.47 0.02 . 1 . . . . . 35 ILE HD1 . 51288 1 250 . 1 . 1 35 35 ILE HD13 H 1 0.47 0.02 . 1 . . . . . 35 ILE HD1 . 51288 1 251 . 1 . 1 35 35 ILE C C 13 175.4 0.3 . 1 . . . . . 35 ILE C . 51288 1 252 . 1 . 1 35 35 ILE CA C 13 61.0 0.3 . 1 . . . . . 35 ILE CA . 51288 1 253 . 1 . 1 35 35 ILE CB C 13 41.6 0.3 . 1 . . . . . 35 ILE CB . 51288 1 254 . 1 . 1 35 35 ILE CG1 C 13 27.0 0.3 . 1 . . . . . 35 ILE CG1 . 51288 1 255 . 1 . 1 35 35 ILE CG2 C 13 17.9 0.3 . 1 . . . . . 35 ILE CG2 . 51288 1 256 . 1 . 1 35 35 ILE CD1 C 13 14.3 0.3 . 1 . . . . . 35 ILE CD1 . 51288 1 257 . 1 . 1 35 35 ILE N N 15 117.1 0.3 . 1 . . . . . 35 ILE N . 51288 1 258 . 1 . 1 36 36 GLN H H 1 8.50 0.02 . 1 . . . . . 36 GLN H . 51288 1 259 . 1 . 1 36 36 GLN HA H 1 5.47 0.02 . 1 . . . . . 36 GLN HA . 51288 1 260 . 1 . 1 36 36 GLN HE21 H 1 7.00 0.02 . 1 . . . . . 36 GLN HE21 . 51288 1 261 . 1 . 1 36 36 GLN HE22 H 1 6.40 0.02 . 1 . . . . . 36 GLN HE22 . 51288 1 262 . 1 . 1 36 36 GLN C C 13 173.9 0.3 . 1 . . . . . 36 GLN C . 51288 1 263 . 1 . 1 36 36 GLN CA C 13 53.9 0.3 . 1 . . . . . 36 GLN CA . 51288 1 264 . 1 . 1 36 36 GLN CB C 13 34.5 0.3 . 1 . . . . . 36 GLN CB . 51288 1 265 . 1 . 1 36 36 GLN CG C 13 33.6 0.3 . 1 . . . . . 36 GLN CG . 51288 1 266 . 1 . 1 36 36 GLN CD C 13 179.6 0.3 . 1 . . . . . 36 GLN CD . 51288 1 267 . 1 . 1 36 36 GLN N N 15 125.2 0.3 . 1 . . . . . 36 GLN N . 51288 1 268 . 1 . 1 36 36 GLN NE2 N 15 110.7 0.3 . 1 . . . . . 36 GLN NE2 . 51288 1 269 . 1 . 1 37 37 ARG H H 1 9.58 0.02 . 1 . . . . . 37 ARG H . 51288 1 270 . 1 . 1 37 37 ARG HA H 1 6.19 0.02 . 1 . . . . . 37 ARG HA . 51288 1 271 . 1 . 1 37 37 ARG HB2 H 1 1.57 0.02 . 2 . . . . . 37 ARG HB2 . 51288 1 272 . 1 . 1 37 37 ARG HB3 H 1 1.51 0.02 . 2 . . . . . 37 ARG HB3 . 51288 1 273 . 1 . 1 37 37 ARG HD2 H 1 2.63 0.02 . 2 . . . . . 37 ARG HD2 . 51288 1 274 . 1 . 1 37 37 ARG HD3 H 1 2.33 0.02 . 2 . . . . . 37 ARG HD3 . 51288 1 275 . 1 . 1 37 37 ARG C C 13 174.6 0.3 . 1 . . . . . 37 ARG C . 51288 1 276 . 1 . 1 37 37 ARG CA C 13 54.1 0.3 . 1 . . . . . 37 ARG CA . 51288 1 277 . 1 . 1 37 37 ARG CB C 13 36.0 0.3 . 1 . . . . . 37 ARG CB . 51288 1 278 . 1 . 1 37 37 ARG CG C 13 26.6 0.3 . 1 . . . . . 37 ARG CG . 51288 1 279 . 1 . 1 37 37 ARG CD C 13 43.3 0.3 . 1 . . . . . 37 ARG CD . 51288 1 280 . 1 . 1 37 37 ARG N N 15 118.8 0.3 . 1 . . . . . 37 ARG N . 51288 1 281 . 1 . 1 38 38 GLN H H 1 9.21 0.02 . 1 . . . . . 38 GLN H . 51288 1 282 . 1 . 1 38 38 GLN HA H 1 4.54 0.02 . 1 . . . . . 38 GLN HA . 51288 1 283 . 1 . 1 38 38 GLN HG2 H 1 1.17 0.02 . 2 . . . . . 38 GLN HG2 . 51288 1 284 . 1 . 1 38 38 GLN HG3 H 1 1.07 0.02 . 2 . . . . . 38 GLN HG3 . 51288 1 285 . 1 . 1 38 38 GLN C C 13 174.8 0.3 . 1 . . . . . 38 GLN C . 51288 1 286 . 1 . 1 38 38 GLN CA C 13 54.7 0.3 . 1 . . . . . 38 GLN CA . 51288 1 287 . 1 . 1 38 38 GLN CB C 13 32.8 0.3 . 1 . . . . . 38 GLN CB . 51288 1 288 . 1 . 1 38 38 GLN CG C 13 32.9 0.3 . 1 . . . . . 38 GLN CG . 51288 1 289 . 1 . 1 38 38 GLN N N 15 119.9 0.3 . 1 . . . . . 38 GLN N . 51288 1 290 . 1 . 1 39 39 ILE H H 1 8.46 0.02 . 1 . . . . . 39 ILE H . 51288 1 291 . 1 . 1 39 39 ILE HA H 1 3.94 0.02 . 1 . . . . . 39 ILE HA . 51288 1 292 . 1 . 1 39 39 ILE HB H 1 1.98 0.02 . 1 . . . . . 39 ILE HB . 51288 1 293 . 1 . 1 39 39 ILE HG21 H 1 0.86 0.02 . 1 . . . . . 39 ILE HG2 . 51288 1 294 . 1 . 1 39 39 ILE HG22 H 1 0.86 0.02 . 1 . . . . . 39 ILE HG2 . 51288 1 295 . 1 . 1 39 39 ILE HG23 H 1 0.86 0.02 . 1 . . . . . 39 ILE HG2 . 51288 1 296 . 1 . 1 39 39 ILE HD11 H 1 0.69 0.02 . 1 . . . . . 39 ILE HD1 . 51288 1 297 . 1 . 1 39 39 ILE HD12 H 1 0.69 0.02 . 1 . . . . . 39 ILE HD1 . 51288 1 298 . 1 . 1 39 39 ILE HD13 H 1 0.69 0.02 . 1 . . . . . 39 ILE HD1 . 51288 1 299 . 1 . 1 39 39 ILE C C 13 175.6 0.3 . 1 . . . . . 39 ILE C . 51288 1 300 . 1 . 1 39 39 ILE CA C 13 61.8 0.3 . 1 . . . . . 39 ILE CA . 51288 1 301 . 1 . 1 39 39 ILE CB C 13 36.8 0.3 . 1 . . . . . 39 ILE CB . 51288 1 302 . 1 . 1 39 39 ILE CG1 C 13 28.4 0.3 . 1 . . . . . 39 ILE CG1 . 51288 1 303 . 1 . 1 39 39 ILE CG2 C 13 18.1 0.3 . 1 . . . . . 39 ILE CG2 . 51288 1 304 . 1 . 1 39 39 ILE CD1 C 13 13.4 0.3 . 1 . . . . . 39 ILE CD1 . 51288 1 305 . 1 . 1 39 39 ILE N N 15 124.8 0.3 . 1 . . . . . 39 ILE N . 51288 1 306 . 1 . 1 40 40 LEU H H 1 8.16 0.02 . 1 . . . . . 40 LEU H . 51288 1 307 . 1 . 1 40 40 LEU HA H 1 4.71 0.02 . 1 . . . . . 40 LEU HA . 51288 1 308 . 1 . 1 40 40 LEU HB2 H 1 1.50 0.02 . 1 . . . . . 40 LEU HB2 . 51288 1 309 . 1 . 1 40 40 LEU C C 13 175.5 0.3 . 1 . . . . . 40 LEU C . 51288 1 310 . 1 . 1 40 40 LEU CA C 13 53.1 0.3 . 1 . . . . . 40 LEU CA . 51288 1 311 . 1 . 1 40 40 LEU CB C 13 39.7 0.3 . 1 . . . . . 40 LEU CB . 51288 1 312 . 1 . 1 40 40 LEU N N 15 128.5 0.3 . 1 . . . . . 40 LEU N . 51288 1 313 . 1 . 1 41 41 GLY H H 1 8.39 0.02 . 1 . . . . . 41 GLY H . 51288 1 314 . 1 . 1 41 41 GLY HA2 H 1 3.96 0.02 . 2 . . . . . 41 GLY HA2 . 51288 1 315 . 1 . 1 41 41 GLY HA3 H 1 3.93 0.02 . 2 . . . . . 41 GLY HA3 . 51288 1 316 . 1 . 1 41 41 GLY CA C 13 46.6 0.3 . 1 . . . . . 41 GLY CA . 51288 1 317 . 1 . 1 41 41 GLY N N 15 111.1 0.3 . 1 . . . . . 41 GLY N . 51288 1 318 . 1 . 1 42 42 TYR C C 13 170.9 0.3 . 1 . . . . . 42 TYR C . 51288 1 319 . 1 . 1 42 42 TYR CA C 13 55.9 0.3 . 1 . . . . . 42 TYR CA . 51288 1 320 . 1 . 1 42 42 TYR CB C 13 41.9 0.3 . 1 . . . . . 42 TYR CB . 51288 1 321 . 1 . 1 43 43 ASP H H 1 9.46 0.02 . 1 . . . . . 43 ASP H . 51288 1 322 . 1 . 1 43 43 ASP HA H 1 4.40 0.02 . 1 . . . . . 43 ASP HA . 51288 1 323 . 1 . 1 43 43 ASP HB2 H 1 2.95 0.02 . 2 . . . . . 43 ASP HB2 . 51288 1 324 . 1 . 1 43 43 ASP HB3 H 1 2.89 0.02 . 2 . . . . . 43 ASP HB3 . 51288 1 325 . 1 . 1 43 43 ASP C C 13 175.5 0.3 . 1 . . . . . 43 ASP C . 51288 1 326 . 1 . 1 43 43 ASP CA C 13 53.0 0.3 . 1 . . . . . 43 ASP CA . 51288 1 327 . 1 . 1 43 43 ASP CB C 13 40.7 0.3 . 1 . . . . . 43 ASP CB . 51288 1 328 . 1 . 1 43 43 ASP N N 15 117.8 0.3 . 1 . . . . . 43 ASP N . 51288 1 329 . 1 . 1 44 44 GLY H H 1 8.27 0.02 . 1 . . . . . 44 GLY H . 51288 1 330 . 1 . 1 44 44 GLY HA2 H 1 4.04 0.02 . 2 . . . . . 44 GLY HA2 . 51288 1 331 . 1 . 1 44 44 GLY HA3 H 1 4.03 0.02 . 2 . . . . . 44 GLY HA3 . 51288 1 332 . 1 . 1 44 44 GLY C C 13 176.6 0.3 . 1 . . . . . 44 GLY C . 51288 1 333 . 1 . 1 44 44 GLY CA C 13 47.7 0.3 . 1 . . . . . 44 GLY CA . 51288 1 334 . 1 . 1 44 44 GLY N N 15 99.7 0.3 . 1 . . . . . 44 GLY N . 51288 1 335 . 1 . 1 45 45 GLN H H 1 8.69 0.02 . 1 . . . . . 45 GLN H . 51288 1 336 . 1 . 1 45 45 GLN HA H 1 4.48 0.02 . 1 . . . . . 45 GLN HA . 51288 1 337 . 1 . 1 45 45 GLN HB2 H 1 2.31 0.02 . 2 . . . . . 45 GLN HB2 . 51288 1 338 . 1 . 1 45 45 GLN HB3 H 1 2.20 0.02 . 2 . . . . . 45 GLN HB3 . 51288 1 339 . 1 . 1 45 45 GLN HG2 H 1 2.55 0.02 . 2 . . . . . 45 GLN HG2 . 51288 1 340 . 1 . 1 45 45 GLN HG3 H 1 2.47 0.02 . 2 . . . . . 45 GLN HG3 . 51288 1 341 . 1 . 1 45 45 GLN HE21 H 1 7.78 0.02 . 1 . . . . . 45 GLN HE21 . 51288 1 342 . 1 . 1 45 45 GLN HE22 H 1 6.93 0.02 . 1 . . . . . 45 GLN HE22 . 51288 1 343 . 1 . 1 45 45 GLN C C 13 174.2 0.3 . 1 . . . . . 45 GLN C . 51288 1 344 . 1 . 1 45 45 GLN CA C 13 56.0 0.3 . 1 . . . . . 45 GLN CA . 51288 1 345 . 1 . 1 45 45 GLN CB C 13 30.9 0.3 . 1 . . . . . 45 GLN CB . 51288 1 346 . 1 . 1 45 45 GLN CD C 13 181.0 0.3 . 1 . . . . . 45 GLN CD . 51288 1 347 . 1 . 1 45 45 GLN N N 15 117.8 0.3 . 1 . . . . . 45 GLN N . 51288 1 348 . 1 . 1 45 45 GLN NE2 N 15 111.8 0.3 . 1 . . . . . 45 GLN NE2 . 51288 1 349 . 1 . 1 46 46 LEU H H 1 7.72 0.02 . 1 . . . . . 46 LEU H . 51288 1 350 . 1 . 1 46 46 LEU HA H 1 5.43 0.02 . 1 . . . . . 46 LEU HA . 51288 1 351 . 1 . 1 46 46 LEU HG H 1 1.12 0.02 . 1 . . . . . 46 LEU HG . 51288 1 352 . 1 . 1 46 46 LEU HD21 H 1 0.47 0.02 . 1 . . . . . 46 LEU HD2 . 51288 1 353 . 1 . 1 46 46 LEU HD22 H 1 0.47 0.02 . 1 . . . . . 46 LEU HD2 . 51288 1 354 . 1 . 1 46 46 LEU HD23 H 1 0.47 0.02 . 1 . . . . . 46 LEU HD2 . 51288 1 355 . 1 . 1 46 46 LEU C C 13 173.6 0.3 . 1 . . . . . 46 LEU C . 51288 1 356 . 1 . 1 46 46 LEU CA C 13 54.2 0.3 . 1 . . . . . 46 LEU CA . 51288 1 357 . 1 . 1 46 46 LEU CB C 13 46.1 0.3 . 1 . . . . . 46 LEU CB . 51288 1 358 . 1 . 1 46 46 LEU CG C 13 27.4 0.3 . 1 . . . . . 46 LEU CG . 51288 1 359 . 1 . 1 46 46 LEU CD2 C 13 22.0 0.3 . 1 . . . . . 46 LEU CD2 . 51288 1 360 . 1 . 1 46 46 LEU N N 15 123.3 0.3 . 1 . . . . . 46 LEU N . 51288 1 361 . 1 . 1 47 47 MET H H 1 8.71 0.02 . 1 . . . . . 47 MET H . 51288 1 362 . 1 . 1 47 47 MET C C 13 171.6 0.3 . 1 . . . . . 47 MET C . 51288 1 363 . 1 . 1 47 47 MET CA C 13 54.8 0.3 . 1 . . . . . 47 MET CA . 51288 1 364 . 1 . 1 47 47 MET CB C 13 40.4 0.3 . 1 . . . . . 47 MET CB . 51288 1 365 . 1 . 1 47 47 MET N N 15 123.4 0.3 . 1 . . . . . 47 MET N . 51288 1 366 . 1 . 1 48 48 LEU H H 1 7.85 0.02 . 1 . . . . . 48 LEU H . 51288 1 367 . 1 . 1 48 48 LEU HA H 1 4.91 0.02 . 1 . . . . . 48 LEU HA . 51288 1 368 . 1 . 1 48 48 LEU HD11 H 1 0.82 0.02 . 1 . . . . . 48 LEU HD1 . 51288 1 369 . 1 . 1 48 48 LEU HD12 H 1 0.82 0.02 . 1 . . . . . 48 LEU HD1 . 51288 1 370 . 1 . 1 48 48 LEU HD13 H 1 0.82 0.02 . 1 . . . . . 48 LEU HD1 . 51288 1 371 . 1 . 1 48 48 LEU HD21 H 1 0.74 0.02 . 1 . . . . . 48 LEU HD2 . 51288 1 372 . 1 . 1 48 48 LEU HD22 H 1 0.74 0.02 . 1 . . . . . 48 LEU HD2 . 51288 1 373 . 1 . 1 48 48 LEU HD23 H 1 0.74 0.02 . 1 . . . . . 48 LEU HD2 . 51288 1 374 . 1 . 1 48 48 LEU CA C 13 56.2 0.3 . 1 . . . . . 48 LEU CA . 51288 1 375 . 1 . 1 48 48 LEU CB C 13 45.0 0.3 . 1 . . . . . 48 LEU CB . 51288 1 376 . 1 . 1 48 48 LEU CD1 C 13 21.3 0.3 . 1 . . . . . 48 LEU CD1 . 51288 1 377 . 1 . 1 48 48 LEU CD2 C 13 21.5 0.3 . 1 . . . . . 48 LEU CD2 . 51288 1 378 . 1 . 1 48 48 LEU N N 15 131.7 0.3 . 1 . . . . . 48 LEU N . 51288 1 379 . 1 . 1 49 49 VAL HA H 1 4.51 0.02 . 1 . . . . . 49 VAL HA . 51288 1 380 . 1 . 1 49 49 VAL HB H 1 2.31 0.02 . 1 . . . . . 49 VAL HB . 51288 1 381 . 1 . 1 49 49 VAL HG11 H 1 1.13 0.02 . 1 . . . . . 49 VAL HG1 . 51288 1 382 . 1 . 1 49 49 VAL HG12 H 1 1.13 0.02 . 1 . . . . . 49 VAL HG1 . 51288 1 383 . 1 . 1 49 49 VAL HG13 H 1 1.13 0.02 . 1 . . . . . 49 VAL HG1 . 51288 1 384 . 1 . 1 49 49 VAL HG21 H 1 0.89 0.02 . 1 . . . . . 49 VAL HG2 . 51288 1 385 . 1 . 1 49 49 VAL HG22 H 1 0.89 0.02 . 1 . . . . . 49 VAL HG2 . 51288 1 386 . 1 . 1 49 49 VAL HG23 H 1 0.89 0.02 . 1 . . . . . 49 VAL HG2 . 51288 1 387 . 1 . 1 49 49 VAL C C 13 172.5 0.3 . 1 . . . . . 49 VAL C . 51288 1 388 . 1 . 1 49 49 VAL CA C 13 60.8 0.3 . 1 . . . . . 49 VAL CA . 51288 1 389 . 1 . 1 49 49 VAL CB C 13 34.9 0.3 . 1 . . . . . 49 VAL CB . 51288 1 390 . 1 . 1 49 49 VAL CG1 C 13 21.8 0.3 . 1 . . . . . 49 VAL CG1 . 51288 1 391 . 1 . 1 49 49 VAL CG2 C 13 23.1 0.3 . 1 . . . . . 49 VAL CG2 . 51288 1 392 . 1 . 1 50 50 LYS H H 1 8.76 0.02 . 1 . . . . . 50 LYS H . 51288 1 393 . 1 . 1 50 50 LYS HA H 1 4.92 0.02 . 1 . . . . . 50 LYS HA . 51288 1 394 . 1 . 1 50 50 LYS HB2 H 1 1.28 0.02 . 1 . . . . . 50 LYS HB2 . 51288 1 395 . 1 . 1 50 50 LYS HG2 H 1 1.20 0.02 . 1 . . . . . 50 LYS HG2 . 51288 1 396 . 1 . 1 50 50 LYS C C 13 174.7 0.3 . 1 . . . . . 50 LYS C . 51288 1 397 . 1 . 1 50 50 LYS CA C 13 54.7 0.3 . 1 . . . . . 50 LYS CA . 51288 1 398 . 1 . 1 50 50 LYS CB C 13 35.5 0.3 . 1 . . . . . 50 LYS CB . 51288 1 399 . 1 . 1 50 50 LYS CG C 13 23.8 0.3 . 1 . . . . . 50 LYS CG . 51288 1 400 . 1 . 1 50 50 LYS N N 15 128.7 0.3 . 1 . . . . . 50 LYS N . 51288 1 401 . 1 . 1 51 51 VAL H H 1 9.77 0.02 . 1 . . . . . 51 VAL H . 51288 1 402 . 1 . 1 51 51 VAL HA H 1 4.93 0.02 . 1 . . . . . 51 VAL HA . 51288 1 403 . 1 . 1 51 51 VAL HB H 1 2.15 0.02 . 1 . . . . . 51 VAL HB . 51288 1 404 . 1 . 1 51 51 VAL HG11 H 1 0.88 0.02 . 1 . . . . . 51 VAL HG1 . 51288 1 405 . 1 . 1 51 51 VAL HG12 H 1 0.88 0.02 . 1 . . . . . 51 VAL HG1 . 51288 1 406 . 1 . 1 51 51 VAL HG13 H 1 0.88 0.02 . 1 . . . . . 51 VAL HG1 . 51288 1 407 . 1 . 1 51 51 VAL HG21 H 1 0.66 0.02 . 1 . . . . . 51 VAL HG2 . 51288 1 408 . 1 . 1 51 51 VAL HG22 H 1 0.66 0.02 . 1 . . . . . 51 VAL HG2 . 51288 1 409 . 1 . 1 51 51 VAL HG23 H 1 0.66 0.02 . 1 . . . . . 51 VAL HG2 . 51288 1 410 . 1 . 1 51 51 VAL C C 13 174.3 0.3 . 1 . . . . . 51 VAL C . 51288 1 411 . 1 . 1 51 51 VAL CA C 13 61.8 0.3 . 1 . . . . . 51 VAL CA . 51288 1 412 . 1 . 1 51 51 VAL CB C 13 33.8 0.3 . 1 . . . . . 51 VAL CB . 51288 1 413 . 1 . 1 51 51 VAL CG1 C 13 21.6 0.3 . 1 . . . . . 51 VAL CG1 . 51288 1 414 . 1 . 1 51 51 VAL CG2 C 13 25.3 0.3 . 1 . . . . . 51 VAL CG2 . 51288 1 415 . 1 . 1 51 51 VAL N N 15 128.3 0.3 . 1 . . . . . 51 VAL N . 51288 1 416 . 1 . 1 52 52 LYS H H 1 9.60 0.02 . 1 . . . . . 52 LYS H . 51288 1 417 . 1 . 1 52 52 LYS HA H 1 5.09 0.02 . 1 . . . . . 52 LYS HA . 51288 1 418 . 1 . 1 52 52 LYS HB2 H 1 1.60 0.02 . 2 . . . . . 52 LYS HB2 . 51288 1 419 . 1 . 1 52 52 LYS HB3 H 1 1.42 0.02 . 2 . . . . . 52 LYS HB3 . 51288 1 420 . 1 . 1 52 52 LYS HG2 H 1 1.31 0.02 . 2 . . . . . 52 LYS HG2 . 51288 1 421 . 1 . 1 52 52 LYS HG3 H 1 1.11 0.02 . 2 . . . . . 52 LYS HG3 . 51288 1 422 . 1 . 1 52 52 LYS C C 13 175.0 0.3 . 1 . . . . . 52 LYS C . 51288 1 423 . 1 . 1 52 52 LYS CA C 13 56.2 0.3 . 1 . . . . . 52 LYS CA . 51288 1 424 . 1 . 1 52 52 LYS CB C 13 36.2 0.3 . 1 . . . . . 52 LYS CB . 51288 1 425 . 1 . 1 52 52 LYS CG C 13 25.0 0.3 . 1 . . . . . 52 LYS CG . 51288 1 426 . 1 . 1 52 52 LYS CE C 13 41.6 0.3 . 1 . . . . . 52 LYS CE . 51288 1 427 . 1 . 1 52 52 LYS N N 15 128.0 0.3 . 1 . . . . . 52 LYS N . 51288 1 428 . 1 . 1 53 53 PHE H H 1 9.33 0.02 . 1 . . . . . 53 PHE H . 51288 1 429 . 1 . 1 53 53 PHE HA H 1 5.28 0.02 . 1 . . . . . 53 PHE HA . 51288 1 430 . 1 . 1 53 53 PHE C C 13 176.9 0.3 . 1 . . . . . 53 PHE C . 51288 1 431 . 1 . 1 53 53 PHE CA C 13 56.7 0.3 . 1 . . . . . 53 PHE CA . 51288 1 432 . 1 . 1 53 53 PHE CB C 13 43.9 0.3 . 1 . . . . . 53 PHE CB . 51288 1 433 . 1 . 1 53 53 PHE N N 15 126.8 0.3 . 1 . . . . . 53 PHE N . 51288 1 434 . 1 . 1 54 54 GLN H H 1 8.45 0.02 . 1 . . . . . 54 GLN H . 51288 1 435 . 1 . 1 54 54 GLN HA H 1 4.34 0.02 . 1 . . . . . 54 GLN HA . 51288 1 436 . 1 . 1 54 54 GLN HB2 H 1 2.16 0.02 . 2 . . . . . 54 GLN HB2 . 51288 1 437 . 1 . 1 54 54 GLN HB3 H 1 1.89 0.02 . 2 . . . . . 54 GLN HB3 . 51288 1 438 . 1 . 1 54 54 GLN HE21 H 1 7.57 0.02 . 1 . . . . . 54 GLN HE21 . 51288 1 439 . 1 . 1 54 54 GLN HE22 H 1 6.85 0.02 . 1 . . . . . 54 GLN HE22 . 51288 1 440 . 1 . 1 54 54 GLN C C 13 176.0 0.3 . 1 . . . . . 54 GLN C . 51288 1 441 . 1 . 1 54 54 GLN CA C 13 54.1 0.3 . 1 . . . . . 54 GLN CA . 51288 1 442 . 1 . 1 54 54 GLN CB C 13 29.6 0.3 . 1 . . . . . 54 GLN CB . 51288 1 443 . 1 . 1 54 54 GLN CG C 13 34.1 0.3 . 1 . . . . . 54 GLN CG . 51288 1 444 . 1 . 1 54 54 GLN CD C 13 180.4 0.3 . 1 . . . . . 54 GLN CD . 51288 1 445 . 1 . 1 54 54 GLN N N 15 119.5 0.3 . 1 . . . . . 54 GLN N . 51288 1 446 . 1 . 1 54 54 GLN NE2 N 15 113.1 0.3 . 1 . . . . . 54 GLN NE2 . 51288 1 447 . 1 . 1 55 55 LYS H H 1 8.58 0.02 . 1 . . . . . 55 LYS H . 51288 1 448 . 1 . 1 55 55 LYS HA H 1 3.56 0.02 . 1 . . . . . 55 LYS HA . 51288 1 449 . 1 . 1 55 55 LYS HG2 H 1 1.15 0.02 . 2 . . . . . 55 LYS HG2 . 51288 1 450 . 1 . 1 55 55 LYS HG3 H 1 1.08 0.02 . 2 . . . . . 55 LYS HG3 . 51288 1 451 . 1 . 1 55 55 LYS C C 13 177.6 0.3 . 1 . . . . . 55 LYS C . 51288 1 452 . 1 . 1 55 55 LYS CA C 13 59.4 0.3 . 1 . . . . . 55 LYS CA . 51288 1 453 . 1 . 1 55 55 LYS CB C 13 32.8 0.3 . 1 . . . . . 55 LYS CB . 51288 1 454 . 1 . 1 55 55 LYS CG C 13 24.5 0.3 . 1 . . . . . 55 LYS CG . 51288 1 455 . 1 . 1 55 55 LYS CD C 13 29.4 0.3 . 1 . . . . . 55 LYS CD . 51288 1 456 . 1 . 1 55 55 LYS CE C 13 41.4 0.3 . 1 . . . . . 55 LYS CE . 51288 1 457 . 1 . 1 55 55 LYS N N 15 121.8 0.3 . 1 . . . . . 55 LYS N . 51288 1 458 . 1 . 1 56 56 GLY H H 1 8.36 0.02 . 1 . . . . . 56 GLY H . 51288 1 459 . 1 . 1 56 56 GLY HA2 H 1 4.26 0.02 . 2 . . . . . 56 GLY HA2 . 51288 1 460 . 1 . 1 56 56 GLY HA3 H 1 3.66 0.02 . 2 . . . . . 56 GLY HA3 . 51288 1 461 . 1 . 1 56 56 GLY C C 13 173.8 0.3 . 1 . . . . . 56 GLY C . 51288 1 462 . 1 . 1 56 56 GLY CA C 13 44.8 0.3 . 1 . . . . . 56 GLY CA . 51288 1 463 . 1 . 1 56 56 GLY N N 15 116.8 0.3 . 1 . . . . . 56 GLY N . 51288 1 464 . 1 . 1 57 57 ALA H H 1 7.92 0.02 . 1 . . . . . 57 ALA H . 51288 1 465 . 1 . 1 57 57 ALA HA H 1 4.39 0.02 . 1 . . . . . 57 ALA HA . 51288 1 466 . 1 . 1 57 57 ALA HB1 H 1 1.64 0.02 . 1 . . . . . 57 ALA HB . 51288 1 467 . 1 . 1 57 57 ALA HB2 H 1 1.64 0.02 . 1 . . . . . 57 ALA HB . 51288 1 468 . 1 . 1 57 57 ALA HB3 H 1 1.64 0.02 . 1 . . . . . 57 ALA HB . 51288 1 469 . 1 . 1 57 57 ALA C C 13 176.0 0.3 . 1 . . . . . 57 ALA C . 51288 1 470 . 1 . 1 57 57 ALA CA C 13 52.9 0.3 . 1 . . . . . 57 ALA CA . 51288 1 471 . 1 . 1 57 57 ALA CB C 13 20.9 0.3 . 1 . . . . . 57 ALA CB . 51288 1 472 . 1 . 1 57 57 ALA N N 15 123.5 0.3 . 1 . . . . . 57 ALA N . 51288 1 473 . 1 . 1 58 58 ILE H H 1 8.40 0.02 . 1 . . . . . 58 ILE H . 51288 1 474 . 1 . 1 58 58 ILE HA H 1 4.58 0.02 . 1 . . . . . 58 ILE HA . 51288 1 475 . 1 . 1 58 58 ILE HB H 1 1.68 0.02 . 1 . . . . . 58 ILE HB . 51288 1 476 . 1 . 1 58 58 ILE HG21 H 1 0.85 0.02 . 1 . . . . . 58 ILE HG2 . 51288 1 477 . 1 . 1 58 58 ILE HG22 H 1 0.85 0.02 . 1 . . . . . 58 ILE HG2 . 51288 1 478 . 1 . 1 58 58 ILE HG23 H 1 0.85 0.02 . 1 . . . . . 58 ILE HG2 . 51288 1 479 . 1 . 1 58 58 ILE HD11 H 1 0.87 0.02 . 1 . . . . . 58 ILE HD1 . 51288 1 480 . 1 . 1 58 58 ILE HD12 H 1 0.87 0.02 . 1 . . . . . 58 ILE HD1 . 51288 1 481 . 1 . 1 58 58 ILE HD13 H 1 0.87 0.02 . 1 . . . . . 58 ILE HD1 . 51288 1 482 . 1 . 1 58 58 ILE C C 13 176.4 0.3 . 1 . . . . . 58 ILE C . 51288 1 483 . 1 . 1 58 58 ILE CA C 13 60.6 0.3 . 1 . . . . . 58 ILE CA . 51288 1 484 . 1 . 1 58 58 ILE CB C 13 42.1 0.3 . 1 . . . . . 58 ILE CB . 51288 1 485 . 1 . 1 58 58 ILE CG1 C 13 27.3 0.3 . 1 . . . . . 58 ILE CG1 . 51288 1 486 . 1 . 1 58 58 ILE CG2 C 13 17.0 0.3 . 1 . . . . . 58 ILE CG2 . 51288 1 487 . 1 . 1 58 58 ILE CD1 C 13 13.8 0.3 . 1 . . . . . 58 ILE CD1 . 51288 1 488 . 1 . 1 58 58 ILE N N 15 120.5 0.3 . 1 . . . . . 58 ILE N . 51288 1 489 . 1 . 1 59 59 GLY H H 1 9.22 0.02 . 1 . . . . . 59 GLY H . 51288 1 490 . 1 . 1 59 59 GLY HA2 H 1 4.31 0.02 . 2 . . . . . 59 GLY HA2 . 51288 1 491 . 1 . 1 59 59 GLY HA3 H 1 3.69 0.02 . 2 . . . . . 59 GLY HA3 . 51288 1 492 . 1 . 1 59 59 GLY C C 13 173.5 0.3 . 1 . . . . . 59 GLY C . 51288 1 493 . 1 . 1 59 59 GLY CA C 13 45.0 0.3 . 1 . . . . . 59 GLY CA . 51288 1 494 . 1 . 1 59 59 GLY N N 15 115.9 0.3 . 1 . . . . . 59 GLY N . 51288 1 495 . 1 . 1 60 60 ASN H H 1 8.41 0.02 . 1 . . . . . 60 ASN H . 51288 1 496 . 1 . 1 60 60 ASN HA H 1 4.33 0.02 . 1 . . . . . 60 ASN HA . 51288 1 497 . 1 . 1 60 60 ASN HB2 H 1 2.70 0.02 . 2 . . . . . 60 ASN HB2 . 51288 1 498 . 1 . 1 60 60 ASN HB3 H 1 2.64 0.02 . 2 . . . . . 60 ASN HB3 . 51288 1 499 . 1 . 1 60 60 ASN HD21 H 1 7.76 0.02 . 1 . . . . . 60 ASN HD21 . 51288 1 500 . 1 . 1 60 60 ASN HD22 H 1 6.86 0.02 . 1 . . . . . 60 ASN HD22 . 51288 1 501 . 1 . 1 60 60 ASN C C 13 174.5 0.3 . 1 . . . . . 60 ASN C . 51288 1 502 . 1 . 1 60 60 ASN CA C 13 53.9 0.3 . 1 . . . . . 60 ASN CA . 51288 1 503 . 1 . 1 60 60 ASN CB C 13 38.6 0.3 . 1 . . . . . 60 ASN CB . 51288 1 504 . 1 . 1 60 60 ASN CG C 13 177.7 0.3 . 1 . . . . . 60 ASN CG . 51288 1 505 . 1 . 1 60 60 ASN N N 15 124.5 0.3 . 1 . . . . . 60 ASN N . 51288 1 506 . 1 . 1 60 60 ASN ND2 N 15 111.1 0.3 . 1 . . . . . 60 ASN ND2 . 51288 1 507 . 1 . 1 61 61 ALA H H 1 8.37 0.02 . 1 . . . . . 61 ALA H . 51288 1 508 . 1 . 1 61 61 ALA HA H 1 4.63 0.02 . 1 . . . . . 61 ALA HA . 51288 1 509 . 1 . 1 61 61 ALA HB1 H 1 1.28 0.02 . 1 . . . . . 61 ALA HB . 51288 1 510 . 1 . 1 61 61 ALA HB2 H 1 1.28 0.02 . 1 . . . . . 61 ALA HB . 51288 1 511 . 1 . 1 61 61 ALA HB3 H 1 1.28 0.02 . 1 . . . . . 61 ALA HB . 51288 1 512 . 1 . 1 61 61 ALA C C 13 176.9 0.3 . 1 . . . . . 61 ALA C . 51288 1 513 . 1 . 1 61 61 ALA CA C 13 51.8 0.3 . 1 . . . . . 61 ALA CA . 51288 1 514 . 1 . 1 61 61 ALA CB C 13 18.6 0.3 . 1 . . . . . 61 ALA CB . 51288 1 515 . 1 . 1 61 61 ALA N N 15 125.1 0.3 . 1 . . . . . 61 ALA N . 51288 1 516 . 1 . 1 62 62 HIS H H 1 8.74 0.02 . 1 . . . . . 62 HIS H . 51288 1 517 . 1 . 1 62 62 HIS HA H 1 4.62 0.02 . 1 . . . . . 62 HIS HA . 51288 1 518 . 1 . 1 62 62 HIS HB2 H 1 2.92 0.02 . 2 . . . . . 62 HIS HB2 . 51288 1 519 . 1 . 1 62 62 HIS HB3 H 1 2.83 0.02 . 2 . . . . . 62 HIS HB3 . 51288 1 520 . 1 . 1 62 62 HIS C C 13 171.8 0.3 . 1 . . . . . 62 HIS C . 51288 1 521 . 1 . 1 62 62 HIS CA C 13 54.5 0.3 . 1 . . . . . 62 HIS CA . 51288 1 522 . 1 . 1 62 62 HIS CB C 13 31.3 0.3 . 1 . . . . . 62 HIS CB . 51288 1 523 . 1 . 1 62 62 HIS N N 15 120.0 0.3 . 1 . . . . . 62 HIS N . 51288 1 524 . 1 . 1 63 63 GLU H H 1 7.99 0.02 . 1 . . . . . 63 GLU H . 51288 1 525 . 1 . 1 63 63 GLU C C 13 172.3 0.3 . 1 . . . . . 63 GLU C . 51288 1 526 . 1 . 1 63 63 GLU CA C 13 54.2 0.3 . 1 . . . . . 63 GLU CA . 51288 1 527 . 1 . 1 63 63 GLU CB C 13 30.8 0.3 . 1 . . . . . 63 GLU CB . 51288 1 528 . 1 . 1 63 63 GLU N N 15 116.3 0.3 . 1 . . . . . 63 GLU N . 51288 1 529 . 1 . 1 66 66 HIS HA H 1 3.94 0.02 . 1 . . . . . 66 HIS HA . 51288 1 530 . 1 . 1 66 66 HIS HB2 H 1 3.19 0.02 . 2 . . . . . 66 HIS HB2 . 51288 1 531 . 1 . 1 66 66 HIS HB3 H 1 3.10 0.02 . 2 . . . . . 66 HIS HB3 . 51288 1 532 . 1 . 1 66 66 HIS C C 13 177.9 0.3 . 1 . . . . . 66 HIS C . 51288 1 533 . 1 . 1 66 66 HIS CA C 13 57.3 0.3 . 1 . . . . . 66 HIS CA . 51288 1 534 . 1 . 1 66 66 HIS CB C 13 30.7 0.3 . 1 . . . . . 66 HIS CB . 51288 1 535 . 1 . 1 67 67 SER H H 1 8.70 0.02 . 1 . . . . . 67 SER H . 51288 1 536 . 1 . 1 67 67 SER HA H 1 4.23 0.02 . 1 . . . . . 67 SER HA . 51288 1 537 . 1 . 1 67 67 SER CA C 13 61.6 0.3 . 1 . . . . . 67 SER CA . 51288 1 538 . 1 . 1 67 67 SER CB C 13 63.6 0.3 . 1 . . . . . 67 SER CB . 51288 1 539 . 1 . 1 67 67 SER N N 15 121.2 0.3 . 1 . . . . . 67 SER N . 51288 1 540 . 1 . 1 68 68 GLN H H 1 7.88 0.02 . 1 . . . . . 68 GLN H . 51288 1 541 . 1 . 1 68 68 GLN HA H 1 4.46 0.02 . 1 . . . . . 68 GLN HA . 51288 1 542 . 1 . 1 68 68 GLN C C 13 173.1 0.3 . 1 . . . . . 68 GLN C . 51288 1 543 . 1 . 1 68 68 GLN CA C 13 52.9 0.3 . 1 . . . . . 68 GLN CA . 51288 1 544 . 1 . 1 68 68 GLN CB C 13 30.8 0.3 . 1 . . . . . 68 GLN CB . 51288 1 545 . 1 . 1 68 68 GLN CG C 13 37.4 0.3 . 1 . . . . . 68 GLN CG . 51288 1 546 . 1 . 1 68 68 GLN N N 15 122.4 0.3 . 1 . . . . . 68 GLN N . 51288 1 547 . 1 . 1 69 69 SER H H 1 8.16 0.02 . 1 . . . . . 69 SER H . 51288 1 548 . 1 . 1 69 69 SER HA H 1 5.27 0.02 . 1 . . . . . 69 SER HA . 51288 1 549 . 1 . 1 69 69 SER HB2 H 1 3.62 0.02 . 2 . . . . . 69 SER HB2 . 51288 1 550 . 1 . 1 69 69 SER HB3 H 1 3.30 0.02 . 2 . . . . . 69 SER HB3 . 51288 1 551 . 1 . 1 69 69 SER CA C 13 56.4 0.3 . 1 . . . . . 69 SER CA . 51288 1 552 . 1 . 1 69 69 SER CB C 13 65.2 0.3 . 1 . . . . . 69 SER CB . 51288 1 553 . 1 . 1 69 69 SER N N 15 120.7 0.3 . 1 . . . . . 69 SER N . 51288 1 554 . 1 . 1 70 70 THR H H 1 9.64 0.02 . 1 . . . . . 70 THR H . 51288 1 555 . 1 . 1 70 70 THR HA H 1 5.91 0.02 . 1 . . . . . 70 THR HA . 51288 1 556 . 1 . 1 70 70 THR HB H 1 3.36 0.02 . 1 . . . . . 70 THR HB . 51288 1 557 . 1 . 1 70 70 THR HG21 H 1 1.08 0.02 . 1 . . . . . 70 THR HG2 . 51288 1 558 . 1 . 1 70 70 THR HG22 H 1 1.08 0.02 . 1 . . . . . 70 THR HG2 . 51288 1 559 . 1 . 1 70 70 THR HG23 H 1 1.08 0.02 . 1 . . . . . 70 THR HG2 . 51288 1 560 . 1 . 1 70 70 THR C C 13 173.7 0.3 . 1 . . . . . 70 THR C . 51288 1 561 . 1 . 1 70 70 THR CA C 13 62.6 0.3 . 1 . . . . . 70 THR CA . 51288 1 562 . 1 . 1 70 70 THR CB C 13 73.5 0.3 . 1 . . . . . 70 THR CB . 51288 1 563 . 1 . 1 70 70 THR CG2 C 13 22.7 0.3 . 1 . . . . . 70 THR CG2 . 51288 1 564 . 1 . 1 70 70 THR N N 15 128.6 0.3 . 1 . . . . . 70 THR N . 51288 1 565 . 1 . 1 71 71 TYR H H 1 9.74 0.02 . 1 . . . . . 71 TYR H . 51288 1 566 . 1 . 1 71 71 TYR HA H 1 5.09 0.02 . 1 . . . . . 71 TYR HA . 51288 1 567 . 1 . 1 71 71 TYR C C 13 172.8 0.3 . 1 . . . . . 71 TYR C . 51288 1 568 . 1 . 1 71 71 TYR CA C 13 56.2 0.3 . 1 . . . . . 71 TYR CA . 51288 1 569 . 1 . 1 71 71 TYR CB C 13 43.0 0.3 . 1 . . . . . 71 TYR CB . 51288 1 570 . 1 . 1 71 71 TYR N N 15 128.6 0.3 . 1 . . . . . 71 TYR N . 51288 1 571 . 1 . 1 72 72 VAL H H 1 7.92 0.02 . 1 . . . . . 72 VAL H . 51288 1 572 . 1 . 1 72 72 VAL HA H 1 3.77 0.02 . 1 . . . . . 72 VAL HA . 51288 1 573 . 1 . 1 72 72 VAL HB H 1 1.94 0.02 . 1 . . . . . 72 VAL HB . 51288 1 574 . 1 . 1 72 72 VAL HG11 H 1 0.46 0.02 . 1 . . . . . 72 VAL HG1 . 51288 1 575 . 1 . 1 72 72 VAL HG12 H 1 0.46 0.02 . 1 . . . . . 72 VAL HG1 . 51288 1 576 . 1 . 1 72 72 VAL HG13 H 1 0.46 0.02 . 1 . . . . . 72 VAL HG1 . 51288 1 577 . 1 . 1 72 72 VAL HG21 H 1 0.30 0.02 . 1 . . . . . 72 VAL HG2 . 51288 1 578 . 1 . 1 72 72 VAL HG22 H 1 0.30 0.02 . 1 . . . . . 72 VAL HG2 . 51288 1 579 . 1 . 1 72 72 VAL HG23 H 1 0.30 0.02 . 1 . . . . . 72 VAL HG2 . 51288 1 580 . 1 . 1 72 72 VAL C C 13 173.7 0.3 . 1 . . . . . 72 VAL C . 51288 1 581 . 1 . 1 72 72 VAL CA C 13 61.6 0.3 . 1 . . . . . 72 VAL CA . 51288 1 582 . 1 . 1 72 72 VAL CB C 13 30.2 0.3 . 1 . . . . . 72 VAL CB . 51288 1 583 . 1 . 1 72 72 VAL CG1 C 13 21.9 0.3 . 1 . . . . . 72 VAL CG1 . 51288 1 584 . 1 . 1 72 72 VAL CG2 C 13 19.7 0.3 . 1 . . . . . 72 VAL CG2 . 51288 1 585 . 1 . 1 72 72 VAL N N 15 128.8 0.3 . 1 . . . . . 72 VAL N . 51288 1 586 . 1 . 1 73 73 VAL H H 1 8.29 0.02 . 1 . . . . . 73 VAL H . 51288 1 587 . 1 . 1 73 73 VAL HA H 1 3.83 0.02 . 1 . . . . . 73 VAL HA . 51288 1 588 . 1 . 1 73 73 VAL HB H 1 2.34 0.02 . 1 . . . . . 73 VAL HB . 51288 1 589 . 1 . 1 73 73 VAL HG11 H 1 1.32 0.02 . 1 . . . . . 73 VAL HG1 . 51288 1 590 . 1 . 1 73 73 VAL HG12 H 1 1.32 0.02 . 1 . . . . . 73 VAL HG1 . 51288 1 591 . 1 . 1 73 73 VAL HG13 H 1 1.32 0.02 . 1 . . . . . 73 VAL HG1 . 51288 1 592 . 1 . 1 73 73 VAL HG21 H 1 1.26 0.02 . 1 . . . . . 73 VAL HG2 . 51288 1 593 . 1 . 1 73 73 VAL HG22 H 1 1.26 0.02 . 1 . . . . . 73 VAL HG2 . 51288 1 594 . 1 . 1 73 73 VAL HG23 H 1 1.26 0.02 . 1 . . . . . 73 VAL HG2 . 51288 1 595 . 1 . 1 73 73 VAL C C 13 177.1 0.3 . 1 . . . . . 73 VAL C . 51288 1 596 . 1 . 1 73 73 VAL CA C 13 64.9 0.3 . 1 . . . . . 73 VAL CA . 51288 1 597 . 1 . 1 73 73 VAL CB C 13 32.0 0.3 . 1 . . . . . 73 VAL CB . 51288 1 598 . 1 . 1 73 73 VAL CG1 C 13 21.5 0.3 . 1 . . . . . 73 VAL CG1 . 51288 1 599 . 1 . 1 73 73 VAL CG2 C 13 25.1 0.3 . 1 . . . . . 73 VAL CG2 . 51288 1 600 . 1 . 1 73 73 VAL N N 15 127.9 0.3 . 1 . . . . . 73 VAL N . 51288 1 601 . 1 . 1 74 74 SER H H 1 8.29 0.02 . 1 . . . . . 74 SER H . 51288 1 602 . 1 . 1 74 74 SER HA H 1 4.62 0.02 . 1 . . . . . 74 SER HA . 51288 1 603 . 1 . 1 74 74 SER HB2 H 1 4.03 0.02 . 2 . . . . . 74 SER HB2 . 51288 1 604 . 1 . 1 74 74 SER HB3 H 1 4.02 0.02 . 2 . . . . . 74 SER HB3 . 51288 1 605 . 1 . 1 74 74 SER C C 13 171.8 0.3 . 1 . . . . . 74 SER C . 51288 1 606 . 1 . 1 74 74 SER CA C 13 56.1 0.3 . 1 . . . . . 74 SER CA . 51288 1 607 . 1 . 1 74 74 SER CB C 13 65.2 0.3 . 1 . . . . . 74 SER CB . 51288 1 608 . 1 . 1 74 74 SER N N 15 110.8 0.3 . 1 . . . . . 74 SER N . 51288 1 609 . 1 . 1 75 75 GLY H H 1 8.23 0.02 . 1 . . . . . 75 GLY H . 51288 1 610 . 1 . 1 75 75 GLY HA2 H 1 4.16 0.02 . 2 . . . . . 75 GLY HA2 . 51288 1 611 . 1 . 1 75 75 GLY HA3 H 1 3.38 0.02 . 2 . . . . . 75 GLY HA3 . 51288 1 612 . 1 . 1 75 75 GLY C C 13 173.3 0.3 . 1 . . . . . 75 GLY C . 51288 1 613 . 1 . 1 75 75 GLY CA C 13 44.8 0.3 . 1 . . . . . 75 GLY CA . 51288 1 614 . 1 . 1 75 75 GLY N N 15 103.2 0.3 . 1 . . . . . 75 GLY N . 51288 1 615 . 1 . 1 76 76 VAL H H 1 7.41 0.02 . 1 . . . . . 76 VAL H . 51288 1 616 . 1 . 1 76 76 VAL HA H 1 4.79 0.02 . 1 . . . . . 76 VAL HA . 51288 1 617 . 1 . 1 76 76 VAL HB H 1 1.50 0.02 . 1 . . . . . 76 VAL HB . 51288 1 618 . 1 . 1 76 76 VAL HG11 H 1 0.91 0.02 . 1 . . . . . 76 VAL HG1 . 51288 1 619 . 1 . 1 76 76 VAL HG12 H 1 0.91 0.02 . 1 . . . . . 76 VAL HG1 . 51288 1 620 . 1 . 1 76 76 VAL HG13 H 1 0.91 0.02 . 1 . . . . . 76 VAL HG1 . 51288 1 621 . 1 . 1 76 76 VAL HG21 H 1 0.81 0.02 . 1 . . . . . 76 VAL HG2 . 51288 1 622 . 1 . 1 76 76 VAL HG22 H 1 0.81 0.02 . 1 . . . . . 76 VAL HG2 . 51288 1 623 . 1 . 1 76 76 VAL HG23 H 1 0.81 0.02 . 1 . . . . . 76 VAL HG2 . 51288 1 624 . 1 . 1 76 76 VAL C C 13 175.1 0.3 . 1 . . . . . 76 VAL C . 51288 1 625 . 1 . 1 76 76 VAL CA C 13 61.9 0.3 . 1 . . . . . 76 VAL CA . 51288 1 626 . 1 . 1 76 76 VAL CB C 13 35.6 0.3 . 1 . . . . . 76 VAL CB . 51288 1 627 . 1 . 1 76 76 VAL CG1 C 13 22.0 0.3 . 1 . . . . . 76 VAL CG1 . 51288 1 628 . 1 . 1 76 76 VAL CG2 C 13 21.2 0.3 . 1 . . . . . 76 VAL CG2 . 51288 1 629 . 1 . 1 76 76 VAL N N 15 116.1 0.3 . 1 . . . . . 76 VAL N . 51288 1 630 . 1 . 1 77 77 PHE H H 1 9.34 0.02 . 1 . . . . . 77 PHE H . 51288 1 631 . 1 . 1 77 77 PHE HA H 1 5.10 0.02 . 1 . . . . . 77 PHE HA . 51288 1 632 . 1 . 1 77 77 PHE C C 13 173.7 0.3 . 1 . . . . . 77 PHE C . 51288 1 633 . 1 . 1 77 77 PHE CA C 13 56.1 0.3 . 1 . . . . . 77 PHE CA . 51288 1 634 . 1 . 1 77 77 PHE CB C 13 44.6 0.3 . 1 . . . . . 77 PHE CB . 51288 1 635 . 1 . 1 77 77 PHE N N 15 125.3 0.3 . 1 . . . . . 77 PHE N . 51288 1 636 . 1 . 1 78 78 GLU H H 1 9.06 0.02 . 1 . . . . . 78 GLU H . 51288 1 637 . 1 . 1 78 78 GLU HG2 H 1 2.33 0.02 . 2 . . . . . 78 GLU HG2 . 51288 1 638 . 1 . 1 78 78 GLU HG3 H 1 2.24 0.02 . 2 . . . . . 78 GLU HG3 . 51288 1 639 . 1 . 1 78 78 GLU C C 13 176.1 0.3 . 1 . . . . . 78 GLU C . 51288 1 640 . 1 . 1 78 78 GLU CA C 13 55.7 0.3 . 1 . . . . . 78 GLU CA . 51288 1 641 . 1 . 1 78 78 GLU CB C 13 32.0 0.3 . 1 . . . . . 78 GLU CB . 51288 1 642 . 1 . 1 78 78 GLU CG C 13 36.5 0.3 . 1 . . . . . 78 GLU CG . 51288 1 643 . 1 . 1 78 78 GLU N N 15 121.8 0.3 . 1 . . . . . 78 GLU N . 51288 1 644 . 1 . 1 79 79 PHE H H 1 9.30 0.02 . 1 . . . . . 79 PHE H . 51288 1 645 . 1 . 1 79 79 PHE HA H 1 4.89 0.02 . 1 . . . . . 79 PHE HA . 51288 1 646 . 1 . 1 79 79 PHE C C 13 174.8 0.3 . 1 . . . . . 79 PHE C . 51288 1 647 . 1 . 1 79 79 PHE CA C 13 57.9 0.3 . 1 . . . . . 79 PHE CA . 51288 1 648 . 1 . 1 79 79 PHE CB C 13 44.5 0.3 . 1 . . . . . 79 PHE CB . 51288 1 649 . 1 . 1 79 79 PHE N N 15 131.2 0.3 . 1 . . . . . 79 PHE N . 51288 1 650 . 1 . 1 80 80 HIS H H 1 8.48 0.02 . 1 . . . . . 80 HIS H . 51288 1 651 . 1 . 1 80 80 HIS HA H 1 5.88 0.02 . 1 . . . . . 80 HIS HA . 51288 1 652 . 1 . 1 80 80 HIS HB2 H 1 2.82 0.02 . 2 . . . . . 80 HIS HB2 . 51288 1 653 . 1 . 1 80 80 HIS HB3 H 1 2.72 0.02 . 2 . . . . . 80 HIS HB3 . 51288 1 654 . 1 . 1 80 80 HIS C C 13 174.7 0.3 . 1 . . . . . 80 HIS C . 51288 1 655 . 1 . 1 80 80 HIS CA C 13 54.0 0.3 . 1 . . . . . 80 HIS CA . 51288 1 656 . 1 . 1 80 80 HIS CB C 13 33.6 0.3 . 1 . . . . . 80 HIS CB . 51288 1 657 . 1 . 1 80 80 HIS N N 15 117.8 0.3 . 1 . . . . . 80 HIS N . 51288 1 658 . 1 . 1 81 81 VAL H H 1 9.03 0.02 . 1 . . . . . 81 VAL H . 51288 1 659 . 1 . 1 81 81 VAL HA H 1 4.50 0.02 . 1 . . . . . 81 VAL HA . 51288 1 660 . 1 . 1 81 81 VAL HB H 1 1.91 0.02 . 1 . . . . . 81 VAL HB . 51288 1 661 . 1 . 1 81 81 VAL HG11 H 1 0.83 0.02 . 1 . . . . . 81 VAL HG1 . 51288 1 662 . 1 . 1 81 81 VAL HG12 H 1 0.83 0.02 . 1 . . . . . 81 VAL HG1 . 51288 1 663 . 1 . 1 81 81 VAL HG13 H 1 0.83 0.02 . 1 . . . . . 81 VAL HG1 . 51288 1 664 . 1 . 1 81 81 VAL HG21 H 1 0.75 0.02 . 1 . . . . . 81 VAL HG2 . 51288 1 665 . 1 . 1 81 81 VAL HG22 H 1 0.75 0.02 . 1 . . . . . 81 VAL HG2 . 51288 1 666 . 1 . 1 81 81 VAL HG23 H 1 0.75 0.02 . 1 . . . . . 81 VAL HG2 . 51288 1 667 . 1 . 1 81 81 VAL C C 13 177.3 0.3 . 1 . . . . . 81 VAL C . 51288 1 668 . 1 . 1 81 81 VAL CA C 13 61.5 0.3 . 1 . . . . . 81 VAL CA . 51288 1 669 . 1 . 1 81 81 VAL CB C 13 35.2 0.3 . 1 . . . . . 81 VAL CB . 51288 1 670 . 1 . 1 81 81 VAL CG1 C 13 22.1 0.3 . 1 . . . . . 81 VAL CG1 . 51288 1 671 . 1 . 1 81 81 VAL CG2 C 13 21.5 0.3 . 1 . . . . . 81 VAL CG2 . 51288 1 672 . 1 . 1 81 81 VAL N N 15 120.3 0.3 . 1 . . . . . 81 VAL N . 51288 1 673 . 1 . 1 82 82 ASN H H 1 9.51 0.02 . 1 . . . . . 82 ASN H . 51288 1 674 . 1 . 1 82 82 ASN HA H 1 4.35 0.02 . 1 . . . . . 82 ASN HA . 51288 1 675 . 1 . 1 82 82 ASN HB2 H 1 2.71 0.02 . 2 . . . . . 82 ASN HB2 . 51288 1 676 . 1 . 1 82 82 ASN HB3 H 1 2.64 0.02 . 2 . . . . . 82 ASN HB3 . 51288 1 677 . 1 . 1 82 82 ASN HD21 H 1 7.55 0.02 . 1 . . . . . 82 ASN HD21 . 51288 1 678 . 1 . 1 82 82 ASN HD22 H 1 6.87 0.02 . 1 . . . . . 82 ASN HD22 . 51288 1 679 . 1 . 1 82 82 ASN C C 13 175.2 0.3 . 1 . . . . . 82 ASN C . 51288 1 680 . 1 . 1 82 82 ASN CA C 13 53.9 0.3 . 1 . . . . . 82 ASN CA . 51288 1 681 . 1 . 1 82 82 ASN CB C 13 38.7 0.3 . 1 . . . . . 82 ASN CB . 51288 1 682 . 1 . 1 82 82 ASN CG C 13 176.2 0.3 . 1 . . . . . 82 ASN CG . 51288 1 683 . 1 . 1 82 82 ASN N N 15 128.3 0.3 . 1 . . . . . 82 ASN N . 51288 1 684 . 1 . 1 82 82 ASN ND2 N 15 112.8 0.3 . 1 . . . . . 82 ASN ND2 . 51288 1 685 . 1 . 1 83 83 GLY H H 1 9.18 0.02 . 1 . . . . . 83 GLY H . 51288 1 686 . 1 . 1 83 83 GLY HA2 H 1 4.21 0.02 . 2 . . . . . 83 GLY HA2 . 51288 1 687 . 1 . 1 83 83 GLY HA3 H 1 3.72 0.02 . 2 . . . . . 83 GLY HA3 . 51288 1 688 . 1 . 1 83 83 GLY C C 13 173.7 0.3 . 1 . . . . . 83 GLY C . 51288 1 689 . 1 . 1 83 83 GLY CA C 13 44.9 0.3 . 1 . . . . . 83 GLY CA . 51288 1 690 . 1 . 1 83 83 GLY N N 15 104.6 0.3 . 1 . . . . . 83 GLY N . 51288 1 691 . 1 . 1 84 84 GLU H H 1 7.87 0.02 . 1 . . . . . 84 GLU H . 51288 1 692 . 1 . 1 84 84 GLU HA H 1 4.52 0.02 . 1 . . . . . 84 GLU HA . 51288 1 693 . 1 . 1 84 84 GLU HB2 H 1 2.35 0.02 . 2 . . . . . 84 GLU HB2 . 51288 1 694 . 1 . 1 84 84 GLU HB3 H 1 2.16 0.02 . 2 . . . . . 84 GLU HB3 . 51288 1 695 . 1 . 1 84 84 GLU HG2 H 1 2.34 0.02 . 2 . . . . . 84 GLU HG2 . 51288 1 696 . 1 . 1 84 84 GLU HG3 H 1 2.28 0.02 . 2 . . . . . 84 GLU HG3 . 51288 1 697 . 1 . 1 84 84 GLU C C 13 175.2 0.3 . 1 . . . . . 84 GLU C . 51288 1 698 . 1 . 1 84 84 GLU CA C 13 55.5 0.3 . 1 . . . . . 84 GLU CA . 51288 1 699 . 1 . 1 84 84 GLU CB C 13 31.2 0.3 . 1 . . . . . 84 GLU CB . 51288 1 700 . 1 . 1 84 84 GLU CG C 13 36.5 0.3 . 1 . . . . . 84 GLU CG . 51288 1 701 . 1 . 1 84 84 GLU N N 15 122.8 0.3 . 1 . . . . . 84 GLU N . 51288 1 702 . 1 . 1 85 85 LYS H H 1 8.51 0.02 . 1 . . . . . 85 LYS H . 51288 1 703 . 1 . 1 85 85 LYS HA H 1 5.67 0.02 . 1 . . . . . 85 LYS HA . 51288 1 704 . 1 . 1 85 85 LYS HB2 H 1 1.57 0.02 . 2 . . . . . 85 LYS HB2 . 51288 1 705 . 1 . 1 85 85 LYS HB3 H 1 1.53 0.02 . 2 . . . . . 85 LYS HB3 . 51288 1 706 . 1 . 1 85 85 LYS HG2 H 1 1.15 0.02 . 2 . . . . . 85 LYS HG2 . 51288 1 707 . 1 . 1 85 85 LYS HG3 H 1 1.12 0.02 . 2 . . . . . 85 LYS HG3 . 51288 1 708 . 1 . 1 85 85 LYS HD2 H 1 1.38 0.02 . 1 . . . . . 85 LYS HD2 . 51288 1 709 . 1 . 1 85 85 LYS C C 13 176.5 0.3 . 1 . . . . . 85 LYS C . 51288 1 710 . 1 . 1 85 85 LYS CA C 13 54.6 0.3 . 1 . . . . . 85 LYS CA . 51288 1 711 . 1 . 1 85 85 LYS CB C 13 35.6 0.3 . 1 . . . . . 85 LYS CB . 51288 1 712 . 1 . 1 85 85 LYS CG C 13 24.9 0.3 . 1 . . . . . 85 LYS CG . 51288 1 713 . 1 . 1 85 85 LYS CD C 13 29.4 0.3 . 1 . . . . . 85 LYS CD . 51288 1 714 . 1 . 1 85 85 LYS CE C 13 41.6 0.3 . 1 . . . . . 85 LYS CE . 51288 1 715 . 1 . 1 85 85 LYS N N 15 123.8 0.3 . 1 . . . . . 85 LYS N . 51288 1 716 . 1 . 1 86 86 LYS H H 1 8.55 0.02 . 1 . . . . . 86 LYS H . 51288 1 717 . 1 . 1 86 86 LYS HA H 1 4.16 0.02 . 1 . . . . . 86 LYS HA . 51288 1 718 . 1 . 1 86 86 LYS HB2 H 1 0.62 0.02 . 2 . . . . . 86 LYS HB2 . 51288 1 719 . 1 . 1 86 86 LYS HB3 H 1 0.32 0.02 . 2 . . . . . 86 LYS HB3 . 51288 1 720 . 1 . 1 86 86 LYS HG2 H 1 0.99 0.02 . 2 . . . . . 86 LYS HG2 . 51288 1 721 . 1 . 1 86 86 LYS HG3 H 1 0.73 0.02 . 2 . . . . . 86 LYS HG3 . 51288 1 722 . 1 . 1 86 86 LYS C C 13 174.3 0.3 . 1 . . . . . 86 LYS C . 51288 1 723 . 1 . 1 86 86 LYS CA C 13 55.3 0.3 . 1 . . . . . 86 LYS CA . 51288 1 724 . 1 . 1 86 86 LYS CB C 13 35.5 0.3 . 1 . . . . . 86 LYS CB . 51288 1 725 . 1 . 1 86 86 LYS CG C 13 24.5 0.3 . 1 . . . . . 86 LYS CG . 51288 1 726 . 1 . 1 86 86 LYS CD C 13 28.4 0.3 . 1 . . . . . 86 LYS CD . 51288 1 727 . 1 . 1 86 86 LYS CE C 13 41.6 0.3 . 1 . . . . . 86 LYS CE . 51288 1 728 . 1 . 1 86 86 LYS N N 15 123.3 0.3 . 1 . . . . . 86 LYS N . 51288 1 729 . 1 . 1 87 87 ILE H H 1 8.13 0.02 . 1 . . . . . 87 ILE H . 51288 1 730 . 1 . 1 87 87 ILE HA H 1 5.01 0.02 . 1 . . . . . 87 ILE HA . 51288 1 731 . 1 . 1 87 87 ILE HB H 1 1.71 0.02 . 1 . . . . . 87 ILE HB . 51288 1 732 . 1 . 1 87 87 ILE HG12 H 1 1.02 0.02 . 2 . . . . . 87 ILE HG12 . 51288 1 733 . 1 . 1 87 87 ILE HG13 H 1 0.98 0.02 . 2 . . . . . 87 ILE HG13 . 51288 1 734 . 1 . 1 87 87 ILE HG21 H 1 0.73 0.02 . 1 . . . . . 87 ILE HG2 . 51288 1 735 . 1 . 1 87 87 ILE HG22 H 1 0.73 0.02 . 1 . . . . . 87 ILE HG2 . 51288 1 736 . 1 . 1 87 87 ILE HG23 H 1 0.73 0.02 . 1 . . . . . 87 ILE HG2 . 51288 1 737 . 1 . 1 87 87 ILE HD11 H 1 0.77 0.02 . 1 . . . . . 87 ILE HD1 . 51288 1 738 . 1 . 1 87 87 ILE HD12 H 1 0.77 0.02 . 1 . . . . . 87 ILE HD1 . 51288 1 739 . 1 . 1 87 87 ILE HD13 H 1 0.77 0.02 . 1 . . . . . 87 ILE HD1 . 51288 1 740 . 1 . 1 87 87 ILE C C 13 175.9 0.3 . 1 . . . . . 87 ILE C . 51288 1 741 . 1 . 1 87 87 ILE CA C 13 60.7 0.3 . 1 . . . . . 87 ILE CA . 51288 1 742 . 1 . 1 87 87 ILE CB C 13 37.0 0.3 . 1 . . . . . 87 ILE CB . 51288 1 743 . 1 . 1 87 87 ILE CG1 C 13 28.6 0.3 . 1 . . . . . 87 ILE CG1 . 51288 1 744 . 1 . 1 87 87 ILE CG2 C 13 17.7 0.3 . 1 . . . . . 87 ILE CG2 . 51288 1 745 . 1 . 1 87 87 ILE CD1 C 13 12.4 0.3 . 1 . . . . . 87 ILE CD1 . 51288 1 746 . 1 . 1 87 87 ILE N N 15 126.4 0.3 . 1 . . . . . 87 ILE N . 51288 1 747 . 1 . 1 88 88 VAL H H 1 9.26 0.02 . 1 . . . . . 88 VAL H . 51288 1 748 . 1 . 1 88 88 VAL HA H 1 4.82 0.02 . 1 . . . . . 88 VAL HA . 51288 1 749 . 1 . 1 88 88 VAL HB H 1 2.34 0.02 . 1 . . . . . 88 VAL HB . 51288 1 750 . 1 . 1 88 88 VAL HG11 H 1 0.94 0.02 . 1 . . . . . 88 VAL HG1 . 51288 1 751 . 1 . 1 88 88 VAL HG12 H 1 0.94 0.02 . 1 . . . . . 88 VAL HG1 . 51288 1 752 . 1 . 1 88 88 VAL HG13 H 1 0.94 0.02 . 1 . . . . . 88 VAL HG1 . 51288 1 753 . 1 . 1 88 88 VAL HG21 H 1 0.73 0.02 . 1 . . . . . 88 VAL HG2 . 51288 1 754 . 1 . 1 88 88 VAL HG22 H 1 0.73 0.02 . 1 . . . . . 88 VAL HG2 . 51288 1 755 . 1 . 1 88 88 VAL HG23 H 1 0.73 0.02 . 1 . . . . . 88 VAL HG2 . 51288 1 756 . 1 . 1 88 88 VAL C C 13 173.5 0.3 . 1 . . . . . 88 VAL C . 51288 1 757 . 1 . 1 88 88 VAL CA C 13 59.0 0.3 . 1 . . . . . 88 VAL CA . 51288 1 758 . 1 . 1 88 88 VAL CB C 13 34.9 0.3 . 1 . . . . . 88 VAL CB . 51288 1 759 . 1 . 1 88 88 VAL CG1 C 13 20.7 0.3 . 1 . . . . . 88 VAL CG1 . 51288 1 760 . 1 . 1 88 88 VAL CG2 C 13 21.6 0.3 . 1 . . . . . 88 VAL CG2 . 51288 1 761 . 1 . 1 88 88 VAL N N 15 121.8 0.3 . 1 . . . . . 88 VAL N . 51288 1 762 . 1 . 1 89 89 LYS H H 1 9.56 0.02 . 1 . . . . . 89 LYS H . 51288 1 763 . 1 . 1 89 89 LYS HA H 1 5.24 0.02 . 1 . . . . . 89 LYS HA . 51288 1 764 . 1 . 1 89 89 LYS HB2 H 1 1.96 0.02 . 2 . . . . . 89 LYS HB2 . 51288 1 765 . 1 . 1 89 89 LYS HB3 H 1 1.84 0.02 . 2 . . . . . 89 LYS HB3 . 51288 1 766 . 1 . 1 89 89 LYS HG2 H 1 1.51 0.02 . 2 . . . . . 89 LYS HG2 . 51288 1 767 . 1 . 1 89 89 LYS HG3 H 1 1.41 0.02 . 2 . . . . . 89 LYS HG3 . 51288 1 768 . 1 . 1 89 89 LYS C C 13 174.1 0.3 . 1 . . . . . 89 LYS C . 51288 1 769 . 1 . 1 89 89 LYS CA C 13 54.1 0.3 . 1 . . . . . 89 LYS CA . 51288 1 770 . 1 . 1 89 89 LYS CB C 13 36.0 0.3 . 1 . . . . . 89 LYS CB . 51288 1 771 . 1 . 1 89 89 LYS CG C 13 23.8 0.3 . 1 . . . . . 89 LYS CG . 51288 1 772 . 1 . 1 89 89 LYS CD C 13 29.2 0.3 . 1 . . . . . 89 LYS CD . 51288 1 773 . 1 . 1 89 89 LYS CE C 13 42.0 0.3 . 1 . . . . . 89 LYS CE . 51288 1 774 . 1 . 1 89 89 LYS N N 15 120.4 0.3 . 1 . . . . . 89 LYS N . 51288 1 775 . 1 . 1 90 90 ALA H H 1 7.36 0.02 . 1 . . . . . 90 ALA H . 51288 1 776 . 1 . 1 90 90 ALA HA H 1 3.73 0.02 . 1 . . . . . 90 ALA HA . 51288 1 777 . 1 . 1 90 90 ALA HB1 H 1 1.33 0.02 . 1 . . . . . 90 ALA HB . 51288 1 778 . 1 . 1 90 90 ALA HB2 H 1 1.33 0.02 . 1 . . . . . 90 ALA HB . 51288 1 779 . 1 . 1 90 90 ALA HB3 H 1 1.33 0.02 . 1 . . . . . 90 ALA HB . 51288 1 780 . 1 . 1 90 90 ALA C C 13 178.7 0.3 . 1 . . . . . 90 ALA C . 51288 1 781 . 1 . 1 90 90 ALA CA C 13 53.1 0.3 . 1 . . . . . 90 ALA CA . 51288 1 782 . 1 . 1 90 90 ALA CB C 13 19.5 0.3 . 1 . . . . . 90 ALA CB . 51288 1 783 . 1 . 1 90 90 ALA N N 15 118.5 0.3 . 1 . . . . . 90 ALA N . 51288 1 784 . 1 . 1 91 91 GLY H H 1 8.71 0.02 . 1 . . . . . 91 GLY H . 51288 1 785 . 1 . 1 91 91 GLY HA2 H 1 4.65 0.02 . 2 . . . . . 91 GLY HA2 . 51288 1 786 . 1 . 1 91 91 GLY HA3 H 1 4.24 0.02 . 2 . . . . . 91 GLY HA3 . 51288 1 787 . 1 . 1 91 91 GLY C C 13 174.5 0.3 . 1 . . . . . 91 GLY C . 51288 1 788 . 1 . 1 91 91 GLY CA C 13 44.7 0.3 . 1 . . . . . 91 GLY CA . 51288 1 789 . 1 . 1 91 91 GLY N N 15 112.5 0.3 . 1 . . . . . 91 GLY N . 51288 1 790 . 1 . 1 92 92 ASP H H 1 8.17 0.02 . 1 . . . . . 92 ASP H . 51288 1 791 . 1 . 1 92 92 ASP HA H 1 5.20 0.02 . 1 . . . . . 92 ASP HA . 51288 1 792 . 1 . 1 92 92 ASP C C 13 174.3 0.3 . 1 . . . . . 92 ASP C . 51288 1 793 . 1 . 1 92 92 ASP CA C 13 54.2 0.3 . 1 . . . . . 92 ASP CA . 51288 1 794 . 1 . 1 92 92 ASP CB C 13 43.1 0.3 . 1 . . . . . 92 ASP CB . 51288 1 795 . 1 . 1 92 92 ASP N N 15 123.1 0.3 . 1 . . . . . 92 ASP N . 51288 1 796 . 1 . 1 93 93 GLY H H 1 9.56 0.02 . 1 . . . . . 93 GLY H . 51288 1 797 . 1 . 1 93 93 GLY HA2 H 1 5.40 0.02 . 2 . . . . . 93 GLY HA2 . 51288 1 798 . 1 . 1 93 93 GLY HA3 H 1 3.57 0.02 . 2 . . . . . 93 GLY HA3 . 51288 1 799 . 1 . 1 93 93 GLY C C 13 171.8 0.3 . 1 . . . . . 93 GLY C . 51288 1 800 . 1 . 1 93 93 GLY CA C 13 44.6 0.3 . 1 . . . . . 93 GLY CA . 51288 1 801 . 1 . 1 93 93 GLY N N 15 103.6 0.3 . 1 . . . . . 93 GLY N . 51288 1 802 . 1 . 1 94 94 ILE H H 1 8.38 0.02 . 1 . . . . . 94 ILE H . 51288 1 803 . 1 . 1 94 94 ILE HA H 1 5.10 0.02 . 1 . . . . . 94 ILE HA . 51288 1 804 . 1 . 1 94 94 ILE HB H 1 0.87 0.02 . 1 . . . . . 94 ILE HB . 51288 1 805 . 1 . 1 94 94 ILE HG21 H 1 0.41 0.02 . 1 . . . . . 94 ILE HG2 . 51288 1 806 . 1 . 1 94 94 ILE HG22 H 1 0.41 0.02 . 1 . . . . . 94 ILE HG2 . 51288 1 807 . 1 . 1 94 94 ILE HG23 H 1 0.41 0.02 . 1 . . . . . 94 ILE HG2 . 51288 1 808 . 1 . 1 94 94 ILE HD11 H 1 -0.08 0.02 . 1 . . . . . 94 ILE HD1 . 51288 1 809 . 1 . 1 94 94 ILE HD12 H 1 -0.08 0.02 . 1 . . . . . 94 ILE HD1 . 51288 1 810 . 1 . 1 94 94 ILE HD13 H 1 -0.08 0.02 . 1 . . . . . 94 ILE HD1 . 51288 1 811 . 1 . 1 94 94 ILE C C 13 173.7 0.3 . 1 . . . . . 94 ILE C . 51288 1 812 . 1 . 1 94 94 ILE CA C 13 60.3 0.3 . 1 . . . . . 94 ILE CA . 51288 1 813 . 1 . 1 94 94 ILE CB C 13 43.7 0.3 . 1 . . . . . 94 ILE CB . 51288 1 814 . 1 . 1 94 94 ILE CG1 C 13 29.4 0.3 . 1 . . . . . 94 ILE CG1 . 51288 1 815 . 1 . 1 94 94 ILE CG2 C 13 22.1 0.3 . 1 . . . . . 94 ILE CG2 . 51288 1 816 . 1 . 1 94 94 ILE CD1 C 13 17.2 0.3 . 1 . . . . . 94 ILE CD1 . 51288 1 817 . 1 . 1 94 94 ILE N N 15 118.9 0.3 . 1 . . . . . 94 ILE N . 51288 1 818 . 1 . 1 95 95 TYR H H 1 9.35 0.02 . 1 . . . . . 95 TYR H . 51288 1 819 . 1 . 1 95 95 TYR HA H 1 4.91 0.02 . 1 . . . . . 95 TYR HA . 51288 1 820 . 1 . 1 95 95 TYR HB2 H 1 2.90 0.02 . 2 . . . . . 95 TYR HB2 . 51288 1 821 . 1 . 1 95 95 TYR HB3 H 1 2.59 0.02 . 2 . . . . . 95 TYR HB3 . 51288 1 822 . 1 . 1 95 95 TYR C C 13 173.4 0.3 . 1 . . . . . 95 TYR C . 51288 1 823 . 1 . 1 95 95 TYR CA C 13 56.9 0.3 . 1 . . . . . 95 TYR CA . 51288 1 824 . 1 . 1 95 95 TYR CB C 13 39.9 0.3 . 1 . . . . . 95 TYR CB . 51288 1 825 . 1 . 1 95 95 TYR N N 15 127.8 0.3 . 1 . . . . . 95 TYR N . 51288 1 826 . 1 . 1 96 96 MET H H 1 8.06 0.02 . 1 . . . . . 96 MET H . 51288 1 827 . 1 . 1 96 96 MET HA H 1 3.67 0.02 . 1 . . . . . 96 MET HA . 51288 1 828 . 1 . 1 96 96 MET C C 13 172.1 0.3 . 1 . . . . . 96 MET C . 51288 1 829 . 1 . 1 96 96 MET CA C 13 53.6 0.3 . 1 . . . . . 96 MET CA . 51288 1 830 . 1 . 1 96 96 MET CB C 13 34.2 0.3 . 1 . . . . . 96 MET CB . 51288 1 831 . 1 . 1 96 96 MET CG C 13 32.0 0.3 . 1 . . . . . 96 MET CG . 51288 1 832 . 1 . 1 96 96 MET N N 15 128.4 0.3 . 1 . . . . . 96 MET N . 51288 1 833 . 1 . 1 97 97 GLU H H 1 7.80 0.02 . 1 . . . . . 97 GLU H . 51288 1 834 . 1 . 1 97 97 GLU HA H 1 4.36 0.02 . 1 . . . . . 97 GLU HA . 51288 1 835 . 1 . 1 97 97 GLU HB3 H 1 2.16 0.02 . 1 . . . . . 97 GLU HB3 . 51288 1 836 . 1 . 1 97 97 GLU C C 13 173.0 0.3 . 1 . . . . . 97 GLU C . 51288 1 837 . 1 . 1 97 97 GLU CA C 13 53.3 0.3 . 1 . . . . . 97 GLU CA . 51288 1 838 . 1 . 1 97 97 GLU CB C 13 28.3 0.3 . 1 . . . . . 97 GLU CB . 51288 1 839 . 1 . 1 97 97 GLU CG C 13 33.9 0.3 . 1 . . . . . 97 GLU CG . 51288 1 840 . 1 . 1 97 97 GLU N N 15 124.9 0.3 . 1 . . . . . 97 GLU N . 51288 1 841 . 1 . 1 101 101 LEU C C 13 177.9 0.3 . 1 . . . . . 101 LEU C . 51288 1 842 . 1 . 1 101 101 LEU CB C 13 42.3 0.3 . 1 . . . . . 101 LEU CB . 51288 1 843 . 1 . 1 102 102 HIS H H 1 8.97 0.02 . 1 . . . . . 102 HIS H . 51288 1 844 . 1 . 1 102 102 HIS HA H 1 5.51 0.02 . 1 . . . . . 102 HIS HA . 51288 1 845 . 1 . 1 102 102 HIS HB2 H 1 3.05 0.02 . 2 . . . . . 102 HIS HB2 . 51288 1 846 . 1 . 1 102 102 HIS HB3 H 1 2.90 0.02 . 2 . . . . . 102 HIS HB3 . 51288 1 847 . 1 . 1 102 102 HIS C C 13 171.6 0.3 . 1 . . . . . 102 HIS C . 51288 1 848 . 1 . 1 102 102 HIS CA C 13 53.9 0.3 . 1 . . . . . 102 HIS CA . 51288 1 849 . 1 . 1 102 102 HIS CB C 13 33.3 0.3 . 1 . . . . . 102 HIS CB . 51288 1 850 . 1 . 1 102 102 HIS N N 15 123.0 0.3 . 1 . . . . . 102 HIS N . 51288 1 851 . 1 . 1 103 103 GLY H H 1 7.86 0.02 . 1 . . . . . 103 GLY H . 51288 1 852 . 1 . 1 103 103 GLY HA2 H 1 4.12 0.02 . 2 . . . . . 103 GLY HA2 . 51288 1 853 . 1 . 1 103 103 GLY HA3 H 1 3.70 0.02 . 2 . . . . . 103 GLY HA3 . 51288 1 854 . 1 . 1 103 103 GLY C C 13 170.4 0.3 . 1 . . . . . 103 GLY C . 51288 1 855 . 1 . 1 103 103 GLY CA C 13 44.9 0.3 . 1 . . . . . 103 GLY CA . 51288 1 856 . 1 . 1 103 103 GLY N N 15 105.1 0.3 . 1 . . . . . 103 GLY N . 51288 1 857 . 1 . 1 104 104 CYS H H 1 8.15 0.02 . 1 . . . . . 104 CYS H . 51288 1 858 . 1 . 1 104 104 CYS HA H 1 5.40 0.02 . 1 . . . . . 104 CYS HA . 51288 1 859 . 1 . 1 104 104 CYS C C 13 172.2 0.3 . 1 . . . . . 104 CYS C . 51288 1 860 . 1 . 1 104 104 CYS CA C 13 56.0 0.3 . 1 . . . . . 104 CYS CA . 51288 1 861 . 1 . 1 104 104 CYS CB C 13 30.6 0.3 . 1 . . . . . 104 CYS CB . 51288 1 862 . 1 . 1 104 104 CYS N N 15 110.8 0.3 . 1 . . . . . 104 CYS N . 51288 1 863 . 1 . 1 105 105 THR H H 1 8.57 0.02 . 1 . . . . . 105 THR H . 51288 1 864 . 1 . 1 105 105 THR HA H 1 4.74 0.02 . 1 . . . . . 105 THR HA . 51288 1 865 . 1 . 1 105 105 THR HB H 1 3.83 0.02 . 1 . . . . . 105 THR HB . 51288 1 866 . 1 . 1 105 105 THR HG21 H 1 0.98 0.02 . 1 . . . . . 105 THR HG2 . 51288 1 867 . 1 . 1 105 105 THR HG22 H 1 0.98 0.02 . 1 . . . . . 105 THR HG2 . 51288 1 868 . 1 . 1 105 105 THR HG23 H 1 0.98 0.02 . 1 . . . . . 105 THR HG2 . 51288 1 869 . 1 . 1 105 105 THR C C 13 173.0 0.3 . 1 . . . . . 105 THR C . 51288 1 870 . 1 . 1 105 105 THR CA C 13 61.7 0.3 . 1 . . . . . 105 THR CA . 51288 1 871 . 1 . 1 105 105 THR CB C 13 71.7 0.3 . 1 . . . . . 105 THR CB . 51288 1 872 . 1 . 1 105 105 THR CG2 C 13 21.4 0.3 . 1 . . . . . 105 THR CG2 . 51288 1 873 . 1 . 1 105 105 THR N N 15 115.6 0.3 . 1 . . . . . 105 THR N . 51288 1 874 . 1 . 1 106 106 CYS H H 1 9.08 0.02 . 1 . . . . . 106 CYS H . 51288 1 875 . 1 . 1 106 106 CYS HA H 1 3.59 0.02 . 1 . . . . . 106 CYS HA . 51288 1 876 . 1 . 1 106 106 CYS C C 13 174.3 0.3 . 1 . . . . . 106 CYS C . 51288 1 877 . 1 . 1 106 106 CYS CA C 13 59.4 0.3 . 1 . . . . . 106 CYS CA . 51288 1 878 . 1 . 1 106 106 CYS CB C 13 27.9 0.3 . 1 . . . . . 106 CYS CB . 51288 1 879 . 1 . 1 106 106 CYS N N 15 127.1 0.3 . 1 . . . . . 106 CYS N . 51288 1 880 . 1 . 1 107 107 LEU H H 1 8.63 0.02 . 1 . . . . . 107 LEU H . 51288 1 881 . 1 . 1 107 107 LEU HA H 1 4.30 0.02 . 1 . . . . . 107 LEU HA . 51288 1 882 . 1 . 1 107 107 LEU HB2 H 1 1.47 0.02 . 2 . . . . . 107 LEU HB2 . 51288 1 883 . 1 . 1 107 107 LEU HB3 H 1 1.24 0.02 . 2 . . . . . 107 LEU HB3 . 51288 1 884 . 1 . 1 107 107 LEU HG H 1 1.56 0.02 . 1 . . . . . 107 LEU HG . 51288 1 885 . 1 . 1 107 107 LEU HD11 H 1 0.80 0.02 . 1 . . . . . 107 LEU HD1 . 51288 1 886 . 1 . 1 107 107 LEU HD12 H 1 0.80 0.02 . 1 . . . . . 107 LEU HD1 . 51288 1 887 . 1 . 1 107 107 LEU HD13 H 1 0.80 0.02 . 1 . . . . . 107 LEU HD1 . 51288 1 888 . 1 . 1 107 107 LEU HD21 H 1 0.70 0.02 . 1 . . . . . 107 LEU HD2 . 51288 1 889 . 1 . 1 107 107 LEU HD22 H 1 0.70 0.02 . 1 . . . . . 107 LEU HD2 . 51288 1 890 . 1 . 1 107 107 LEU HD23 H 1 0.70 0.02 . 1 . . . . . 107 LEU HD2 . 51288 1 891 . 1 . 1 107 107 LEU C C 13 176.9 0.3 . 1 . . . . . 107 LEU C . 51288 1 892 . 1 . 1 107 107 LEU CA C 13 56.1 0.3 . 1 . . . . . 107 LEU CA . 51288 1 893 . 1 . 1 107 107 LEU CB C 13 41.9 0.3 . 1 . . . . . 107 LEU CB . 51288 1 894 . 1 . 1 107 107 LEU CG C 13 27.3 0.3 . 1 . . . . . 107 LEU CG . 51288 1 895 . 1 . 1 107 107 LEU CD1 C 13 25.8 0.3 . 1 . . . . . 107 LEU CD1 . 51288 1 896 . 1 . 1 107 107 LEU CD2 C 13 22.3 0.3 . 1 . . . . . 107 LEU CD2 . 51288 1 897 . 1 . 1 107 107 LEU N N 15 133.6 0.3 . 1 . . . . . 107 LEU N . 51288 1 898 . 1 . 1 108 108 GLU H H 1 7.62 0.02 . 1 . . . . . 108 GLU H . 51288 1 899 . 1 . 1 108 108 GLU HA H 1 4.20 0.02 . 1 . . . . . 108 GLU HA . 51288 1 900 . 1 . 1 108 108 GLU HB2 H 1 1.91 0.02 . 2 . . . . . 108 GLU HB2 . 51288 1 901 . 1 . 1 108 108 GLU HB3 H 1 1.51 0.02 . 2 . . . . . 108 GLU HB3 . 51288 1 902 . 1 . 1 108 108 GLU C C 13 173.9 0.3 . 1 . . . . . 108 GLU C . 51288 1 903 . 1 . 1 108 108 GLU CA C 13 55.8 0.3 . 1 . . . . . 108 GLU CA . 51288 1 904 . 1 . 1 108 108 GLU CB C 13 32.4 0.3 . 1 . . . . . 108 GLU CB . 51288 1 905 . 1 . 1 108 108 GLU CG C 13 35.3 0.3 . 1 . . . . . 108 GLU CG . 51288 1 906 . 1 . 1 108 108 GLU N N 15 118.5 0.3 . 1 . . . . . 108 GLU N . 51288 1 907 . 1 . 1 109 109 ALA H H 1 8.17 0.02 . 1 . . . . . 109 ALA H . 51288 1 908 . 1 . 1 109 109 ALA HA H 1 4.00 0.02 . 1 . . . . . 109 ALA HA . 51288 1 909 . 1 . 1 109 109 ALA HB1 H 1 1.44 0.02 . 1 . . . . . 109 ALA HB . 51288 1 910 . 1 . 1 109 109 ALA HB2 H 1 1.44 0.02 . 1 . . . . . 109 ALA HB . 51288 1 911 . 1 . 1 109 109 ALA HB3 H 1 1.44 0.02 . 1 . . . . . 109 ALA HB . 51288 1 912 . 1 . 1 109 109 ALA C C 13 177.0 0.3 . 1 . . . . . 109 ALA C . 51288 1 913 . 1 . 1 109 109 ALA CA C 13 53.4 0.3 . 1 . . . . . 109 ALA CA . 51288 1 914 . 1 . 1 109 109 ALA CB C 13 19.3 0.3 . 1 . . . . . 109 ALA CB . 51288 1 915 . 1 . 1 109 109 ALA N N 15 124.5 0.3 . 1 . . . . . 109 ALA N . 51288 1 916 . 1 . 1 110 110 GLY H H 1 7.74 0.02 . 1 . . . . . 110 GLY H . 51288 1 917 . 1 . 1 110 110 GLY HA2 H 1 4.16 0.02 . 2 . . . . . 110 GLY HA2 . 51288 1 918 . 1 . 1 110 110 GLY HA3 H 1 4.15 0.02 . 2 . . . . . 110 GLY HA3 . 51288 1 919 . 1 . 1 110 110 GLY C C 13 171.0 0.3 . 1 . . . . . 110 GLY C . 51288 1 920 . 1 . 1 110 110 GLY CA C 13 46.1 0.3 . 1 . . . . . 110 GLY CA . 51288 1 921 . 1 . 1 110 110 GLY N N 15 107.2 0.3 . 1 . . . . . 110 GLY N . 51288 1 922 . 1 . 1 111 111 ILE H H 1 7.72 0.02 . 1 . . . . . 111 ILE H . 51288 1 923 . 1 . 1 111 111 ILE HA H 1 5.43 0.02 . 1 . . . . . 111 ILE HA . 51288 1 924 . 1 . 1 111 111 ILE HB H 1 1.62 0.02 . 1 . . . . . 111 ILE HB . 51288 1 925 . 1 . 1 111 111 ILE HG21 H 1 0.86 0.02 . 1 . . . . . 111 ILE HG2 . 51288 1 926 . 1 . 1 111 111 ILE HG22 H 1 0.86 0.02 . 1 . . . . . 111 ILE HG2 . 51288 1 927 . 1 . 1 111 111 ILE HG23 H 1 0.86 0.02 . 1 . . . . . 111 ILE HG2 . 51288 1 928 . 1 . 1 111 111 ILE HD11 H 1 1.01 0.02 . 1 . . . . . 111 ILE HD1 . 51288 1 929 . 1 . 1 111 111 ILE HD12 H 1 1.01 0.02 . 1 . . . . . 111 ILE HD1 . 51288 1 930 . 1 . 1 111 111 ILE HD13 H 1 1.01 0.02 . 1 . . . . . 111 ILE HD1 . 51288 1 931 . 1 . 1 111 111 ILE C C 13 174.3 0.3 . 1 . . . . . 111 ILE C . 51288 1 932 . 1 . 1 111 111 ILE CA C 13 59.6 0.3 . 1 . . . . . 111 ILE CA . 51288 1 933 . 1 . 1 111 111 ILE CB C 13 42.3 0.3 . 1 . . . . . 111 ILE CB . 51288 1 934 . 1 . 1 111 111 ILE CG1 C 13 29.2 0.3 . 1 . . . . . 111 ILE CG1 . 51288 1 935 . 1 . 1 111 111 ILE CG2 C 13 17.9 0.3 . 1 . . . . . 111 ILE CG2 . 51288 1 936 . 1 . 1 111 111 ILE CD1 C 13 13.6 0.3 . 1 . . . . . 111 ILE CD1 . 51288 1 937 . 1 . 1 111 111 ILE N N 15 120.8 0.3 . 1 . . . . . 111 ILE N . 51288 1 938 . 1 . 1 112 112 LEU H H 1 9.52 0.02 . 1 . . . . . 112 LEU H . 51288 1 939 . 1 . 1 112 112 LEU HA H 1 5.01 0.02 . 1 . . . . . 112 LEU HA . 51288 1 940 . 1 . 1 112 112 LEU HG H 1 1.04 0.02 . 1 . . . . . 112 LEU HG . 51288 1 941 . 1 . 1 112 112 LEU HD11 H 1 0.49 0.02 . 1 . . . . . 112 LEU HD1 . 51288 1 942 . 1 . 1 112 112 LEU HD12 H 1 0.49 0.02 . 1 . . . . . 112 LEU HD1 . 51288 1 943 . 1 . 1 112 112 LEU HD13 H 1 0.49 0.02 . 1 . . . . . 112 LEU HD1 . 51288 1 944 . 1 . 1 112 112 LEU HD21 H 1 -0.15 0.02 . 1 . . . . . 112 LEU HD2 . 51288 1 945 . 1 . 1 112 112 LEU HD22 H 1 -0.15 0.02 . 1 . . . . . 112 LEU HD2 . 51288 1 946 . 1 . 1 112 112 LEU HD23 H 1 -0.15 0.02 . 1 . . . . . 112 LEU HD2 . 51288 1 947 . 1 . 1 112 112 LEU C C 13 176.0 0.3 . 1 . . . . . 112 LEU C . 51288 1 948 . 1 . 1 112 112 LEU CA C 13 52.8 0.3 . 1 . . . . . 112 LEU CA . 51288 1 949 . 1 . 1 112 112 LEU CB C 13 45.8 0.3 . 1 . . . . . 112 LEU CB . 51288 1 950 . 1 . 1 112 112 LEU CG C 13 26.4 0.3 . 1 . . . . . 112 LEU CG . 51288 1 951 . 1 . 1 112 112 LEU CD1 C 13 27.1 0.3 . 1 . . . . . 112 LEU CD1 . 51288 1 952 . 1 . 1 112 112 LEU CD2 C 13 25.1 0.3 . 1 . . . . . 112 LEU CD2 . 51288 1 953 . 1 . 1 112 112 LEU N N 15 124.2 0.3 . 1 . . . . . 112 LEU N . 51288 1 954 . 1 . 1 113 113 ILE H H 1 9.14 0.02 . 1 . . . . . 113 ILE H . 51288 1 955 . 1 . 1 113 113 ILE HA H 1 5.03 0.02 . 1 . . . . . 113 ILE HA . 51288 1 956 . 1 . 1 113 113 ILE HB H 1 2.14 0.02 . 1 . . . . . 113 ILE HB . 51288 1 957 . 1 . 1 113 113 ILE HG21 H 1 0.64 0.02 . 1 . . . . . 113 ILE HG2 . 51288 1 958 . 1 . 1 113 113 ILE HG22 H 1 0.64 0.02 . 1 . . . . . 113 ILE HG2 . 51288 1 959 . 1 . 1 113 113 ILE HG23 H 1 0.64 0.02 . 1 . . . . . 113 ILE HG2 . 51288 1 960 . 1 . 1 113 113 ILE HD11 H 1 -0.17 0.02 . 1 . . . . . 113 ILE HD1 . 51288 1 961 . 1 . 1 113 113 ILE HD12 H 1 -0.17 0.02 . 1 . . . . . 113 ILE HD1 . 51288 1 962 . 1 . 1 113 113 ILE HD13 H 1 -0.17 0.02 . 1 . . . . . 113 ILE HD1 . 51288 1 963 . 1 . 1 113 113 ILE C C 13 175.2 0.3 . 1 . . . . . 113 ILE C . 51288 1 964 . 1 . 1 113 113 ILE CA C 13 56.8 0.3 . 1 . . . . . 113 ILE CA . 51288 1 965 . 1 . 1 113 113 ILE CB C 13 37.2 0.3 . 1 . . . . . 113 ILE CB . 51288 1 966 . 1 . 1 113 113 ILE CG1 C 13 27.3 0.3 . 1 . . . . . 113 ILE CG1 . 51288 1 967 . 1 . 1 113 113 ILE CG2 C 13 17.6 0.3 . 1 . . . . . 113 ILE CG2 . 51288 1 968 . 1 . 1 113 113 ILE CD1 C 13 7.3 0.3 . 1 . . . . . 113 ILE CD1 . 51288 1 969 . 1 . 1 113 113 ILE N N 15 119.8 0.3 . 1 . . . . . 113 ILE N . 51288 1 970 . 1 . 1 114 114 ASP H H 1 9.10 0.02 . 1 . . . . . 114 ASP H . 51288 1 971 . 1 . 1 114 114 ASP HA H 1 4.90 0.02 . 1 . . . . . 114 ASP HA . 51288 1 972 . 1 . 1 114 114 ASP HB2 H 1 2.46 0.02 . 2 . . . . . 114 ASP HB2 . 51288 1 973 . 1 . 1 114 114 ASP HB3 H 1 2.44 0.02 . 2 . . . . . 114 ASP HB3 . 51288 1 974 . 1 . 1 114 114 ASP C C 13 174.2 0.3 . 1 . . . . . 114 ASP C . 51288 1 975 . 1 . 1 114 114 ASP CA C 13 53.3 0.3 . 1 . . . . . 114 ASP CA . 51288 1 976 . 1 . 1 114 114 ASP CB C 13 44.2 0.3 . 1 . . . . . 114 ASP CB . 51288 1 977 . 1 . 1 114 114 ASP N N 15 127.5 0.3 . 1 . . . . . 114 ASP N . 51288 1 978 . 1 . 1 115 115 THR H H 1 7.65 0.02 . 1 . . . . . 115 THR H . 51288 1 979 . 1 . 1 115 115 THR HA H 1 5.53 0.02 . 1 . . . . . 115 THR HA . 51288 1 980 . 1 . 1 115 115 THR HB H 1 3.84 0.02 . 1 . . . . . 115 THR HB . 51288 1 981 . 1 . 1 115 115 THR HG21 H 1 1.17 0.02 . 1 . . . . . 115 THR HG2 . 51288 1 982 . 1 . 1 115 115 THR HG22 H 1 1.17 0.02 . 1 . . . . . 115 THR HG2 . 51288 1 983 . 1 . 1 115 115 THR HG23 H 1 1.17 0.02 . 1 . . . . . 115 THR HG2 . 51288 1 984 . 1 . 1 115 115 THR C C 13 172.8 0.3 . 1 . . . . . 115 THR C . 51288 1 985 . 1 . 1 115 115 THR CA C 13 59.6 0.3 . 1 . . . . . 115 THR CA . 51288 1 986 . 1 . 1 115 115 THR CB C 13 70.8 0.3 . 1 . . . . . 115 THR CB . 51288 1 987 . 1 . 1 115 115 THR CG2 C 13 23.5 0.3 . 1 . . . . . 115 THR CG2 . 51288 1 988 . 1 . 1 115 115 THR N N 15 115.0 0.3 . 1 . . . . . 115 THR N . 51288 1 989 . 1 . 1 116 116 PHE H H 1 8.53 0.02 . 1 . . . . . 116 PHE H . 51288 1 990 . 1 . 1 116 116 PHE HA H 1 5.63 0.02 . 1 . . . . . 116 PHE HA . 51288 1 991 . 1 . 1 116 116 PHE HB2 H 1 3.13 0.02 . 2 . . . . . 116 PHE HB2 . 51288 1 992 . 1 . 1 116 116 PHE HB3 H 1 3.09 0.02 . 2 . . . . . 116 PHE HB3 . 51288 1 993 . 1 . 1 116 116 PHE C C 13 175.9 0.3 . 1 . . . . . 116 PHE C . 51288 1 994 . 1 . 1 116 116 PHE CA C 13 56.2 0.3 . 1 . . . . . 116 PHE CA . 51288 1 995 . 1 . 1 116 116 PHE CB C 13 44.7 0.3 . 1 . . . . . 116 PHE CB . 51288 1 996 . 1 . 1 116 116 PHE N N 15 118.3 0.3 . 1 . . . . . 116 PHE N . 51288 1 997 . 1 . 1 117 117 SER H H 1 7.82 0.02 . 1 . . . . . 117 SER H . 51288 1 998 . 1 . 1 117 117 SER HA H 1 4.73 0.02 . 1 . . . . . 117 SER HA . 51288 1 999 . 1 . 1 117 117 SER CA C 13 61.6 0.3 . 1 . . . . . 117 SER CA . 51288 1 1000 . 1 . 1 117 117 SER CB C 13 67.9 0.3 . 1 . . . . . 117 SER CB . 51288 1 1001 . 1 . 1 117 117 SER N N 15 113.3 0.3 . 1 . . . . . 117 SER N . 51288 1 1002 . 1 . 1 118 118 PRO HA H 1 4.90 0.02 . 1 . . . . . 118 PRO HA . 51288 1 1003 . 1 . 1 118 118 PRO C C 13 174.2 0.3 . 1 . . . . . 118 PRO C . 51288 1 1004 . 1 . 1 118 118 PRO CA C 13 63.6 0.3 . 1 . . . . . 118 PRO CA . 51288 1 1005 . 1 . 1 118 118 PRO CB C 13 34.0 0.3 . 1 . . . . . 118 PRO CB . 51288 1 1006 . 1 . 1 119 119 MET H H 1 7.16 0.02 . 1 . . . . . 119 MET H . 51288 1 1007 . 1 . 1 119 119 MET HA H 1 3.81 0.02 . 1 . . . . . 119 MET HA . 51288 1 1008 . 1 . 1 119 119 MET HB2 H 1 2.13 0.02 . 2 . . . . . 119 MET HB2 . 51288 1 1009 . 1 . 1 119 119 MET HB3 H 1 2.09 0.02 . 2 . . . . . 119 MET HB3 . 51288 1 1010 . 1 . 1 119 119 MET C C 13 175.1 0.3 . 1 . . . . . 119 MET C . 51288 1 1011 . 1 . 1 119 119 MET CA C 13 56.6 0.3 . 1 . . . . . 119 MET CA . 51288 1 1012 . 1 . 1 119 119 MET CB C 13 32.7 0.3 . 1 . . . . . 119 MET CB . 51288 1 1013 . 1 . 1 119 119 MET CG C 13 31.5 0.3 . 1 . . . . . 119 MET CG . 51288 1 1014 . 1 . 1 119 119 MET N N 15 110.2 0.3 . 1 . . . . . 119 MET N . 51288 1 1015 . 1 . 1 120 120 ARG H H 1 6.25 0.02 . 1 . . . . . 120 ARG H . 51288 1 1016 . 1 . 1 120 120 ARG HA H 1 3.68 0.02 . 1 . . . . . 120 ARG HA . 51288 1 1017 . 1 . 1 120 120 ARG HB2 H 1 0.57 0.02 . 2 . . . . . 120 ARG HB2 . 51288 1 1018 . 1 . 1 120 120 ARG HB3 H 1 0.52 0.02 . 2 . . . . . 120 ARG HB3 . 51288 1 1019 . 1 . 1 120 120 ARG C C 13 176.0 0.3 . 1 . . . . . 120 ARG C . 51288 1 1020 . 1 . 1 120 120 ARG CA C 13 51.7 0.3 . 1 . . . . . 120 ARG CA . 51288 1 1021 . 1 . 1 120 120 ARG CB C 13 25.2 0.3 . 1 . . . . . 120 ARG CB . 51288 1 1022 . 1 . 1 120 120 ARG N N 15 118.3 0.3 . 1 . . . . . 120 ARG N . 51288 1 1023 . 1 . 1 121 121 GLU H H 1 8.98 0.02 . 1 . . . . . 121 GLU H . 51288 1 1024 . 1 . 1 121 121 GLU HA H 1 3.65 0.02 . 1 . . . . . 121 GLU HA . 51288 1 1025 . 1 . 1 121 121 GLU HB2 H 1 2.04 0.02 . 2 . . . . . 121 GLU HB2 . 51288 1 1026 . 1 . 1 121 121 GLU HB3 H 1 1.95 0.02 . 2 . . . . . 121 GLU HB3 . 51288 1 1027 . 1 . 1 121 121 GLU HG2 H 1 2.31 0.02 . 2 . . . . . 121 GLU HG2 . 51288 1 1028 . 1 . 1 121 121 GLU HG3 H 1 2.24 0.02 . 2 . . . . . 121 GLU HG3 . 51288 1 1029 . 1 . 1 121 121 GLU C C 13 177.2 0.3 . 1 . . . . . 121 GLU C . 51288 1 1030 . 1 . 1 121 121 GLU CA C 13 59.3 0.3 . 1 . . . . . 121 GLU CA . 51288 1 1031 . 1 . 1 121 121 GLU CB C 13 29.4 0.3 . 1 . . . . . 121 GLU CB . 51288 1 1032 . 1 . 1 121 121 GLU CG C 13 36.9 0.3 . 1 . . . . . 121 GLU CG . 51288 1 1033 . 1 . 1 121 121 GLU N N 15 128.0 0.3 . 1 . . . . . 121 GLU N . 51288 1 1034 . 1 . 1 122 122 ASP H H 1 9.11 0.02 . 1 . . . . . 122 ASP H . 51288 1 1035 . 1 . 1 122 122 ASP HA H 1 4.35 0.02 . 1 . . . . . 122 ASP HA . 51288 1 1036 . 1 . 1 122 122 ASP HB2 H 1 2.71 0.02 . 2 . . . . . 122 ASP HB2 . 51288 1 1037 . 1 . 1 122 122 ASP HB3 H 1 2.64 0.02 . 2 . . . . . 122 ASP HB3 . 51288 1 1038 . 1 . 1 122 122 ASP C C 13 176.4 0.3 . 1 . . . . . 122 ASP C . 51288 1 1039 . 1 . 1 122 122 ASP CA C 13 53.9 0.3 . 1 . . . . . 122 ASP CA . 51288 1 1040 . 1 . 1 122 122 ASP CB C 13 38.8 0.3 . 1 . . . . . 122 ASP CB . 51288 1 1041 . 1 . 1 122 122 ASP N N 15 112.2 0.3 . 1 . . . . . 122 ASP N . 51288 1 1042 . 1 . 1 123 123 PHE H H 1 7.12 0.02 . 1 . . . . . 123 PHE H . 51288 1 1043 . 1 . 1 123 123 PHE HA H 1 4.64 0.02 . 1 . . . . . 123 PHE HA . 51288 1 1044 . 1 . 1 123 123 PHE HB2 H 1 3.03 0.02 . 2 . . . . . 123 PHE HB2 . 51288 1 1045 . 1 . 1 123 123 PHE HB3 H 1 2.83 0.02 . 2 . . . . . 123 PHE HB3 . 51288 1 1046 . 1 . 1 123 123 PHE C C 13 175.4 0.3 . 1 . . . . . 123 PHE C . 51288 1 1047 . 1 . 1 123 123 PHE CA C 13 54.8 0.3 . 1 . . . . . 123 PHE CA . 51288 1 1048 . 1 . 1 123 123 PHE CB C 13 37.2 0.3 . 1 . . . . . 123 PHE CB . 51288 1 1049 . 1 . 1 123 123 PHE N N 15 118.0 0.3 . 1 . . . . . 123 PHE N . 51288 1 1050 . 1 . 1 124 124 ILE H H 1 6.93 0.02 . 1 . . . . . 124 ILE H . 51288 1 1051 . 1 . 1 124 124 ILE HA H 1 4.13 0.02 . 1 . . . . . 124 ILE HA . 51288 1 1052 . 1 . 1 124 124 ILE HB H 1 1.85 0.02 . 1 . . . . . 124 ILE HB . 51288 1 1053 . 1 . 1 124 124 ILE HG12 H 1 1.03 0.02 . 2 . . . . . 124 ILE HG12 . 51288 1 1054 . 1 . 1 124 124 ILE HG13 H 1 0.84 0.02 . 2 . . . . . 124 ILE HG13 . 51288 1 1055 . 1 . 1 124 124 ILE HG21 H 1 0.64 0.02 . 1 . . . . . 124 ILE HG2 . 51288 1 1056 . 1 . 1 124 124 ILE HG22 H 1 0.64 0.02 . 1 . . . . . 124 ILE HG2 . 51288 1 1057 . 1 . 1 124 124 ILE HG23 H 1 0.64 0.02 . 1 . . . . . 124 ILE HG2 . 51288 1 1058 . 1 . 1 124 124 ILE HD11 H 1 0.36 0.02 . 1 . . . . . 124 ILE HD1 . 51288 1 1059 . 1 . 1 124 124 ILE HD12 H 1 0.36 0.02 . 1 . . . . . 124 ILE HD1 . 51288 1 1060 . 1 . 1 124 124 ILE HD13 H 1 0.36 0.02 . 1 . . . . . 124 ILE HD1 . 51288 1 1061 . 1 . 1 124 124 ILE C C 13 175.0 0.3 . 1 . . . . . 124 ILE C . 51288 1 1062 . 1 . 1 124 124 ILE CA C 13 59.6 0.3 . 1 . . . . . 124 ILE CA . 51288 1 1063 . 1 . 1 124 124 ILE CB C 13 38.3 0.3 . 1 . . . . . 124 ILE CB . 51288 1 1064 . 1 . 1 124 124 ILE CG1 C 13 26.4 0.3 . 1 . . . . . 124 ILE CG1 . 51288 1 1065 . 1 . 1 124 124 ILE CG2 C 13 17.6 0.3 . 1 . . . . . 124 ILE CG2 . 51288 1 1066 . 1 . 1 124 124 ILE CD1 C 13 11.5 0.3 . 1 . . . . . 124 ILE CD1 . 51288 1 1067 . 1 . 1 124 124 ILE N N 15 116.3 0.3 . 1 . . . . . 124 ILE N . 51288 1 1068 . 1 . 1 125 125 ASN H H 1 8.23 0.02 . 1 . . . . . 125 ASN H . 51288 1 1069 . 1 . 1 125 125 ASN HA H 1 4.76 0.02 . 1 . . . . . 125 ASN HA . 51288 1 1070 . 1 . 1 125 125 ASN HB2 H 1 2.74 0.02 . 2 . . . . . 125 ASN HB2 . 51288 1 1071 . 1 . 1 125 125 ASN HB3 H 1 2.62 0.02 . 2 . . . . . 125 ASN HB3 . 51288 1 1072 . 1 . 1 125 125 ASN HD21 H 1 7.51 0.02 . 1 . . . . . 125 ASN HD21 . 51288 1 1073 . 1 . 1 125 125 ASN HD22 H 1 6.78 0.02 . 1 . . . . . 125 ASN HD22 . 51288 1 1074 . 1 . 1 125 125 ASN C C 13 174.0 0.3 . 1 . . . . . 125 ASN C . 51288 1 1075 . 1 . 1 125 125 ASN CA C 13 53.0 0.3 . 1 . . . . . 125 ASN CA . 51288 1 1076 . 1 . 1 125 125 ASN CB C 13 39.8 0.3 . 1 . . . . . 125 ASN CB . 51288 1 1077 . 1 . 1 125 125 ASN N N 15 123.1 0.3 . 1 . . . . . 125 ASN N . 51288 1 1078 . 1 . 1 125 125 ASN ND2 N 15 113.3 0.3 . 1 . . . . . 125 ASN ND2 . 51288 1 1079 . 1 . 1 126 126 GLU H H 1 7.92 0.02 . 1 . . . . . 126 GLU H . 51288 1 1080 . 1 . 1 126 126 GLU HA H 1 4.07 0.02 . 1 . . . . . 126 GLU HA . 51288 1 1081 . 1 . 1 126 126 GLU HB2 H 1 1.98 0.02 . 2 . . . . . 126 GLU HB2 . 51288 1 1082 . 1 . 1 126 126 GLU HB3 H 1 1.84 0.02 . 2 . . . . . 126 GLU HB3 . 51288 1 1083 . 1 . 1 126 126 GLU C C 13 181.0 0.3 . 1 . . . . . 126 GLU C . 51288 1 1084 . 1 . 1 126 126 GLU CA C 13 58.0 0.3 . 1 . . . . . 126 GLU CA . 51288 1 1085 . 1 . 1 126 126 GLU CB C 13 31.2 0.3 . 1 . . . . . 126 GLU CB . 51288 1 1086 . 1 . 1 126 126 GLU CG C 13 36.6 0.3 . 1 . . . . . 126 GLU CG . 51288 1 1087 . 1 . 1 126 126 GLU N N 15 126.4 0.3 . 1 . . . . . 126 GLU N . 51288 1 stop_ save_