data_27442 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27442 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for residues 1-136 of yeast Rpn5. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-04 _Entry.Accession_date 2018-04-04 _Entry.Last_release_date 2018-04-04 _Entry.Original_release_date 2018-04-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _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 Wenbo Zhang . . . . 27442 2 Cong Zhao . . . . 27442 3 Yunfei Hu . . . . 27442 4 Changwen Jin . . . . 27442 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27442 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 557 27442 '15N chemical shifts' 144 27442 '1H chemical shifts' 866 27442 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-09-19 . original BMRB . 27442 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27442 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30177392 _Citation.Full_citation . _Citation.Title ; Solution structure of the N-terminal domain of proteasome lid subunit Rpn5 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 504 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 225 _Citation.Page_last 230 _Citation.Year 2018 _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 Wenbo Zhang . . . . 27442 1 2 Cong Zhao . . . . 27442 1 3 Yunfei Hu . . . . 27442 1 4 Changwen Jin . . . . 27442 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '26S proteasome' 27442 1 'Rpn subunits' 27442 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27442 _Assembly.ID 1 _Assembly.Name Rpn5 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Rpn5 1 $Rpn5 A . yes native no no . . . 27442 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rpn5 _Entity.Sf_category entity _Entity.Sf_framecode Rpn5 _Entity.Entry_ID 27442 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rpn5 _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 ; MSRDAPIKADKDYSQILKEE FPKIDSLAQNDCNSALDQLL VLEKKTRQASDLASSKEVLA KIVDLLASRNKWDDLNEQLT LLSKKHGQLKLSIQYMIQKV MEYLKSSKSLDLNTRISVIE TIRVVTENKIFVEVER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal superhelical solenoid' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details '(residues 1-136)' _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 . 27442 1 2 . SER . 27442 1 3 . ARG . 27442 1 4 . ASP . 27442 1 5 . ALA . 27442 1 6 . PRO . 27442 1 7 . ILE . 27442 1 8 . LYS . 27442 1 9 . ALA . 27442 1 10 . ASP . 27442 1 11 . LYS . 27442 1 12 . ASP . 27442 1 13 . TYR . 27442 1 14 . SER . 27442 1 15 . GLN . 27442 1 16 . ILE . 27442 1 17 . LEU . 27442 1 18 . LYS . 27442 1 19 . GLU . 27442 1 20 . GLU . 27442 1 21 . PHE . 27442 1 22 . PRO . 27442 1 23 . LYS . 27442 1 24 . ILE . 27442 1 25 . ASP . 27442 1 26 . SER . 27442 1 27 . LEU . 27442 1 28 . ALA . 27442 1 29 . GLN . 27442 1 30 . ASN . 27442 1 31 . ASP . 27442 1 32 . CYS . 27442 1 33 . ASN . 27442 1 34 . SER . 27442 1 35 . ALA . 27442 1 36 . LEU . 27442 1 37 . ASP . 27442 1 38 . GLN . 27442 1 39 . LEU . 27442 1 40 . LEU . 27442 1 41 . VAL . 27442 1 42 . LEU . 27442 1 43 . GLU . 27442 1 44 . LYS . 27442 1 45 . LYS . 27442 1 46 . THR . 27442 1 47 . ARG . 27442 1 48 . GLN . 27442 1 49 . ALA . 27442 1 50 . SER . 27442 1 51 . ASP . 27442 1 52 . LEU . 27442 1 53 . ALA . 27442 1 54 . SER . 27442 1 55 . SER . 27442 1 56 . LYS . 27442 1 57 . GLU . 27442 1 58 . VAL . 27442 1 59 . LEU . 27442 1 60 . ALA . 27442 1 61 . LYS . 27442 1 62 . ILE . 27442 1 63 . VAL . 27442 1 64 . ASP . 27442 1 65 . LEU . 27442 1 66 . LEU . 27442 1 67 . ALA . 27442 1 68 . SER . 27442 1 69 . ARG . 27442 1 70 . ASN . 27442 1 71 . LYS . 27442 1 72 . TRP . 27442 1 73 . ASP . 27442 1 74 . ASP . 27442 1 75 . LEU . 27442 1 76 . ASN . 27442 1 77 . GLU . 27442 1 78 . GLN . 27442 1 79 . LEU . 27442 1 80 . THR . 27442 1 81 . LEU . 27442 1 82 . LEU . 27442 1 83 . SER . 27442 1 84 . LYS . 27442 1 85 . LYS . 27442 1 86 . HIS . 27442 1 87 . GLY . 27442 1 88 . GLN . 27442 1 89 . LEU . 27442 1 90 . LYS . 27442 1 91 . LEU . 27442 1 92 . SER . 27442 1 93 . ILE . 27442 1 94 . GLN . 27442 1 95 . TYR . 27442 1 96 . MET . 27442 1 97 . ILE . 27442 1 98 . GLN . 27442 1 99 . LYS . 27442 1 100 . VAL . 27442 1 101 . MET . 27442 1 102 . GLU . 27442 1 103 . TYR . 27442 1 104 . LEU . 27442 1 105 . LYS . 27442 1 106 . SER . 27442 1 107 . SER . 27442 1 108 . LYS . 27442 1 109 . SER . 27442 1 110 . LEU . 27442 1 111 . ASP . 27442 1 112 . LEU . 27442 1 113 . ASN . 27442 1 114 . THR . 27442 1 115 . ARG . 27442 1 116 . ILE . 27442 1 117 . SER . 27442 1 118 . VAL . 27442 1 119 . ILE . 27442 1 120 . GLU . 27442 1 121 . THR . 27442 1 122 . ILE . 27442 1 123 . ARG . 27442 1 124 . VAL . 27442 1 125 . VAL . 27442 1 126 . THR . 27442 1 127 . GLU . 27442 1 128 . ASN . 27442 1 129 . LYS . 27442 1 130 . ILE . 27442 1 131 . PHE . 27442 1 132 . VAL . 27442 1 133 . GLU . 27442 1 134 . VAL . 27442 1 135 . GLU . 27442 1 136 . ARG . 27442 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 27442 1 . SER 2 2 27442 1 . ARG 3 3 27442 1 . ASP 4 4 27442 1 . ALA 5 5 27442 1 . PRO 6 6 27442 1 . ILE 7 7 27442 1 . LYS 8 8 27442 1 . ALA 9 9 27442 1 . ASP 10 10 27442 1 . LYS 11 11 27442 1 . ASP 12 12 27442 1 . TYR 13 13 27442 1 . SER 14 14 27442 1 . GLN 15 15 27442 1 . ILE 16 16 27442 1 . LEU 17 17 27442 1 . LYS 18 18 27442 1 . GLU 19 19 27442 1 . GLU 20 20 27442 1 . PHE 21 21 27442 1 . PRO 22 22 27442 1 . LYS 23 23 27442 1 . ILE 24 24 27442 1 . ASP 25 25 27442 1 . SER 26 26 27442 1 . LEU 27 27 27442 1 . ALA 28 28 27442 1 . GLN 29 29 27442 1 . ASN 30 30 27442 1 . ASP 31 31 27442 1 . CYS 32 32 27442 1 . ASN 33 33 27442 1 . SER 34 34 27442 1 . ALA 35 35 27442 1 . LEU 36 36 27442 1 . ASP 37 37 27442 1 . GLN 38 38 27442 1 . LEU 39 39 27442 1 . LEU 40 40 27442 1 . VAL 41 41 27442 1 . LEU 42 42 27442 1 . GLU 43 43 27442 1 . LYS 44 44 27442 1 . LYS 45 45 27442 1 . THR 46 46 27442 1 . ARG 47 47 27442 1 . GLN 48 48 27442 1 . ALA 49 49 27442 1 . SER 50 50 27442 1 . ASP 51 51 27442 1 . LEU 52 52 27442 1 . ALA 53 53 27442 1 . SER 54 54 27442 1 . SER 55 55 27442 1 . LYS 56 56 27442 1 . GLU 57 57 27442 1 . VAL 58 58 27442 1 . LEU 59 59 27442 1 . ALA 60 60 27442 1 . LYS 61 61 27442 1 . ILE 62 62 27442 1 . VAL 63 63 27442 1 . ASP 64 64 27442 1 . LEU 65 65 27442 1 . LEU 66 66 27442 1 . ALA 67 67 27442 1 . SER 68 68 27442 1 . ARG 69 69 27442 1 . ASN 70 70 27442 1 . LYS 71 71 27442 1 . TRP 72 72 27442 1 . ASP 73 73 27442 1 . ASP 74 74 27442 1 . LEU 75 75 27442 1 . ASN 76 76 27442 1 . GLU 77 77 27442 1 . GLN 78 78 27442 1 . LEU 79 79 27442 1 . THR 80 80 27442 1 . LEU 81 81 27442 1 . LEU 82 82 27442 1 . SER 83 83 27442 1 . LYS 84 84 27442 1 . LYS 85 85 27442 1 . HIS 86 86 27442 1 . GLY 87 87 27442 1 . GLN 88 88 27442 1 . LEU 89 89 27442 1 . LYS 90 90 27442 1 . LEU 91 91 27442 1 . SER 92 92 27442 1 . ILE 93 93 27442 1 . GLN 94 94 27442 1 . TYR 95 95 27442 1 . MET 96 96 27442 1 . ILE 97 97 27442 1 . GLN 98 98 27442 1 . LYS 99 99 27442 1 . VAL 100 100 27442 1 . MET 101 101 27442 1 . GLU 102 102 27442 1 . TYR 103 103 27442 1 . LEU 104 104 27442 1 . LYS 105 105 27442 1 . SER 106 106 27442 1 . SER 107 107 27442 1 . LYS 108 108 27442 1 . SER 109 109 27442 1 . LEU 110 110 27442 1 . ASP 111 111 27442 1 . LEU 112 112 27442 1 . ASN 113 113 27442 1 . THR 114 114 27442 1 . ARG 115 115 27442 1 . ILE 116 116 27442 1 . SER 117 117 27442 1 . VAL 118 118 27442 1 . ILE 119 119 27442 1 . GLU 120 120 27442 1 . THR 121 121 27442 1 . ILE 122 122 27442 1 . ARG 123 123 27442 1 . VAL 124 124 27442 1 . VAL 125 125 27442 1 . THR 126 126 27442 1 . GLU 127 127 27442 1 . ASN 128 128 27442 1 . LYS 129 129 27442 1 . ILE 130 130 27442 1 . PHE 131 131 27442 1 . VAL 132 132 27442 1 . GLU 133 133 27442 1 . VAL 134 134 27442 1 . GLU 135 135 27442 1 . ARG 136 136 27442 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27442 _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 $Rpn5 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae S288c . . . . . . . . . . rpn5 . 27442 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27442 _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 $Rpn5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET-28a (+)' . . . 27442 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27442 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rpn5 '[U-95% 13C; U-95% 15N]' . . 1 $Rpn5 . . 0.3 . . mM . . . . 27442 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . '% v/v' . . . . 27442 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mg/mL . . . . 27442 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27442 1 5 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27442 1 6 'sodium sulfate' 'natural abundance' . . . . . . 50 . . mM . . . . 27442 1 7 trifluoroethanol 'natural abundance' . . . . . . 2 . . '% v/v' . . . . 27442 1 8 sucrose 'natural abundance' . . . . . . 5 . . '% w/v' . . . . 27442 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 27442 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 194 . mM 27442 1 pH 6.0 . pH 27442 1 pressure 1 . atm 27442 1 temperature 298 . K 27442 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27442 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27442 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27442 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27442 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27442 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27442 2 'data analysis' 27442 2 'peak picking' 27442 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27442 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27442 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27442 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 27442 1 2 spectrometer_2 Bruker Avance . 950 . . . 27442 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27442 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27442 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27442 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27442 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27442 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27442 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27442 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27442 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27442 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27442 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27442 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27442 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27442 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27442 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'insert at center of experimental sample tube' . . . . 27442 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'insert at center of experimental sample tube' . . . . 27442 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'insert at center of experimental sample tube' . . . . 27442 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27442 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27442 1 2 '2D 1H-13C HSQC' . . . 27442 1 3 '3D HNCA' . . . 27442 1 4 '3D HNCO' . . . 27442 1 5 '3D HNCACB' . . . 27442 1 6 '3D CBCA(CO)NH' . . . 27442 1 7 '3D HN(CO)CA' . . . 27442 1 8 '3D HBHA(CO)NH' . . . 27442 1 9 '3D 1H-15N TOCSY' . . . 27442 1 10 '3D HCCH-COSY' . . . 27442 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 SER HA H 1 4.265 0.02 . . . . . . . 2 SER HA . 27442 1 2 . 1 1 2 2 SER HB2 H 1 3.977 0.02 . . . . . . . 2 SER HB2 . 27442 1 3 . 1 1 2 2 SER HB3 H 1 3.903 0.02 . . . . . . . 2 SER HB3 . 27442 1 4 . 1 1 2 2 SER C C 13 175.479 0.3 . . . . . . . 2 SER C . 27442 1 5 . 1 1 2 2 SER CA C 13 61.193 0.3 . . . . . . . 2 SER CA . 27442 1 6 . 1 1 2 2 SER CB C 13 62.328 0.3 . . . . . . . 2 SER CB . 27442 1 7 . 1 1 3 3 ARG H H 1 8.563 0.02 . . . . . . . 3 ARG H . 27442 1 8 . 1 1 3 3 ARG HA H 1 4.751 0.02 . . . . . . . 3 ARG HA . 27442 1 9 . 1 1 3 3 ARG HB2 H 1 2.03 0.02 . . . . . . . 3 ARG HB2 . 27442 1 10 . 1 1 3 3 ARG C C 13 176.1 0.3 . . . . . . . 3 ARG C . 27442 1 11 . 1 1 3 3 ARG CA C 13 62.146 0.3 . . . . . . . 3 ARG CA . 27442 1 12 . 1 1 3 3 ARG CB C 13 34.247 0.3 . . . . . . . 3 ARG CB . 27442 1 13 . 1 1 3 3 ARG N N 15 119.034 0.3 . . . . . . . 3 ARG N . 27442 1 14 . 1 1 4 4 ASP H H 1 8.398 0.02 . . . . . . . 4 ASP H . 27442 1 15 . 1 1 4 4 ASP HA H 1 4.068 0.02 . . . . . . . 4 ASP HA . 27442 1 16 . 1 1 4 4 ASP HB2 H 1 1.848 0.02 . . . . . . . 4 ASP HB2 . 27442 1 17 . 1 1 4 4 ASP CA C 13 61.643 0.3 . . . . . . . 4 ASP CA . 27442 1 18 . 1 1 4 4 ASP CB C 13 38.483 0.3 . . . . . . . 4 ASP CB . 27442 1 19 . 1 1 4 4 ASP N N 15 121.994 0.3 . . . . . . . 4 ASP N . 27442 1 20 . 1 1 6 6 PRO HA H 1 4.419 0.02 . . . . . . . 6 PRO HA . 27442 1 21 . 1 1 6 6 PRO HB2 H 1 2.273 0.02 . . . . . . . 6 PRO HB2 . 27442 1 22 . 1 1 6 6 PRO HB3 H 1 1.846 0.02 . . . . . . . 6 PRO HB3 . 27442 1 23 . 1 1 6 6 PRO HG2 H 1 2.01 0.02 . . . . . . . 6 PRO HG2 . 27442 1 24 . 1 1 6 6 PRO HD2 H 1 3.774 0.02 . . . . . . . 6 PRO HD2 . 27442 1 25 . 1 1 6 6 PRO HD3 H 1 3.627 0.02 . . . . . . . 6 PRO HD3 . 27442 1 26 . 1 1 6 6 PRO C C 13 176.671 0.3 . . . . . . . 6 PRO C . 27442 1 27 . 1 1 6 6 PRO CA C 13 62.925 0.3 . . . . . . . 6 PRO CA . 27442 1 28 . 1 1 6 6 PRO CB C 13 32.019 0.3 . . . . . . . 6 PRO CB . 27442 1 29 . 1 1 6 6 PRO CG C 13 27.363 0.3 . . . . . . . 6 PRO CG . 27442 1 30 . 1 1 6 6 PRO CD C 13 50.485 0.3 . . . . . . . 6 PRO CD . 27442 1 31 . 1 1 7 7 ILE H H 1 8.193 0.02 . . . . . . . 7 ILE H . 27442 1 32 . 1 1 7 7 ILE HA H 1 4.099 0.02 . . . . . . . 7 ILE HA . 27442 1 33 . 1 1 7 7 ILE HB H 1 1.808 0.02 . . . . . . . 7 ILE HB . 27442 1 34 . 1 1 7 7 ILE HG12 H 1 1.496 0.02 . . . . . . . 7 ILE HG12 . 27442 1 35 . 1 1 7 7 ILE HG13 H 1 1.189 0.02 . . . . . . . 7 ILE HG13 . 27442 1 36 . 1 1 7 7 ILE HG21 H 1 0.901 0.02 . . . . . . . 7 ILE HG21 . 27442 1 37 . 1 1 7 7 ILE HG22 H 1 0.901 0.02 . . . . . . . 7 ILE HG21 . 27442 1 38 . 1 1 7 7 ILE HG23 H 1 0.901 0.02 . . . . . . . 7 ILE HG21 . 27442 1 39 . 1 1 7 7 ILE HD11 H 1 0.867 0.02 . . . . . . . 7 ILE HD11 . 27442 1 40 . 1 1 7 7 ILE HD12 H 1 0.867 0.02 . . . . . . . 7 ILE HD11 . 27442 1 41 . 1 1 7 7 ILE HD13 H 1 0.867 0.02 . . . . . . . 7 ILE HD11 . 27442 1 42 . 1 1 7 7 ILE C C 13 176.039 0.3 . . . . . . . 7 ILE C . 27442 1 43 . 1 1 7 7 ILE CA C 13 61.049 0.3 . . . . . . . 7 ILE CA . 27442 1 44 . 1 1 7 7 ILE CB C 13 38.815 0.3 . . . . . . . 7 ILE CB . 27442 1 45 . 1 1 7 7 ILE CG1 C 13 27.379 0.3 . . . . . . . 7 ILE CG1 . 27442 1 46 . 1 1 7 7 ILE CG2 C 13 17.323 0.03 . . . . . . . 7 ILE CG2 . 27442 1 47 . 1 1 7 7 ILE CD1 C 13 12.893 0.3 . . . . . . . 7 ILE CD1 . 27442 1 48 . 1 1 7 7 ILE N N 15 121.315 0.3 . . . . . . . 7 ILE N . 27442 1 49 . 1 1 8 8 LYS H H 1 8.359 0.02 . . . . . . . 8 LYS H . 27442 1 50 . 1 1 8 8 LYS HA H 1 4.338 0.02 . . . . . . . 8 LYS HA . 27442 1 51 . 1 1 8 8 LYS HB2 H 1 1.787 0.02 . . . . . . . 8 LYS HB2 . 27442 1 52 . 1 1 8 8 LYS HB3 H 1 1.702 0.02 . . . . . . . 8 LYS HB3 . 27442 1 53 . 1 1 8 8 LYS HG2 H 1 1.411 0.02 . . . . . . . 8 LYS HG2 . 27442 1 54 . 1 1 8 8 LYS HG3 H 1 1.364 0.02 . . . . . . . 8 LYS HG3 . 27442 1 55 . 1 1 8 8 LYS HD3 H 1 1.653 0.02 . . . . . . . 8 LYS HD3 . 27442 1 56 . 1 1 8 8 LYS HE2 H 1 2.946 0.02 . . . . . . . 8 LYS HE2 . 27442 1 57 . 1 1 8 8 LYS HZ1 H 1 7.492 0.02 . . . . . . . 8 LYS HZ1 . 27442 1 58 . 1 1 8 8 LYS HZ2 H 1 7.492 0.02 . . . . . . . 8 LYS HZ1 . 27442 1 59 . 1 1 8 8 LYS HZ3 H 1 7.492 0.02 . . . . . . . 8 LYS HZ1 . 27442 1 60 . 1 1 8 8 LYS C C 13 175.565 0.3 . . . . . . . 8 LYS C . 27442 1 61 . 1 1 8 8 LYS CA C 13 55.898 0.3 . . . . . . . 8 LYS CA . 27442 1 62 . 1 1 8 8 LYS CB C 13 33.321 0.3 . . . . . . . 8 LYS CB . 27442 1 63 . 1 1 8 8 LYS CG C 13 24.666 0.3 . . . . . . . 8 LYS CG . 27442 1 64 . 1 1 8 8 LYS CD C 13 29.16 0.3 . . . . . . . 8 LYS CD . 27442 1 65 . 1 1 8 8 LYS CE C 13 42.159 0.3 . . . . . . . 8 LYS CE . 27442 1 66 . 1 1 8 8 LYS N N 15 126.539 0.3 . . . . . . . 8 LYS N . 27442 1 67 . 1 1 9 9 ALA H H 1 8.387 0.02 . . . . . . . 9 ALA H . 27442 1 68 . 1 1 9 9 ALA HA H 1 4.375 0.02 . . . . . . . 9 ALA HA . 27442 1 69 . 1 1 9 9 ALA HB1 H 1 1.341 0.02 . . . . . . . 9 ALA HB1 . 27442 1 70 . 1 1 9 9 ALA HB2 H 1 1.341 0.02 . . . . . . . 9 ALA HB1 . 27442 1 71 . 1 1 9 9 ALA HB3 H 1 1.341 0.02 . . . . . . . 9 ALA HB1 . 27442 1 72 . 1 1 9 9 ALA C C 13 177.588 0.3 . . . . . . . 9 ALA C . 27442 1 73 . 1 1 9 9 ALA CA C 13 52.205 0.3 . . . . . . . 9 ALA CA . 27442 1 74 . 1 1 9 9 ALA CB C 13 19.601 0.3 . . . . . . . 9 ALA CB . 27442 1 75 . 1 1 9 9 ALA N N 15 126.572 0.3 . . . . . . . 9 ALA N . 27442 1 76 . 1 1 10 10 ASP H H 1 8.482 0.02 . . . . . . . 10 ASP H . 27442 1 77 . 1 1 10 10 ASP HA H 1 4.512 0.02 . . . . . . . 10 ASP HA . 27442 1 78 . 1 1 10 10 ASP HB2 H 1 2.579 0.02 . . . . . . . 10 ASP HB2 . 27442 1 79 . 1 1 10 10 ASP HB3 H 1 2.647 0.02 . . . . . . . 10 ASP HB3 . 27442 1 80 . 1 1 10 10 ASP C C 13 176.033 0.3 . . . . . . . 10 ASP C . 27442 1 81 . 1 1 10 10 ASP CA C 13 54.909 0.3 . . . . . . . 10 ASP CA . 27442 1 82 . 1 1 10 10 ASP CB C 13 41.429 0.3 . . . . . . . 10 ASP CB . 27442 1 83 . 1 1 10 10 ASP N N 15 120.361 0.3 . . . . . . . 10 ASP N . 27442 1 84 . 1 1 11 11 LYS H H 1 7.813 0.02 . . . . . . . 11 LYS H . 27442 1 85 . 1 1 11 11 LYS HA H 1 4.197 0.02 . . . . . . . 11 LYS HA . 27442 1 86 . 1 1 11 11 LYS HB2 H 1 1.63 0.02 . . . . . . . 11 LYS HB2 . 27442 1 87 . 1 1 11 11 LYS HG2 H 1 1.259 0.02 . . . . . . . 11 LYS HG2 . 27442 1 88 . 1 1 11 11 LYS HG3 H 1 1.074 0.02 . . . . . . . 11 LYS HG3 . 27442 1 89 . 1 1 11 11 LYS HD2 H 1 1.549 0.02 . . . . . . . 11 LYS HD2 . 27442 1 90 . 1 1 11 11 LYS HE2 H 1 2.822 0.02 . . . . . . . 11 LYS HE2 . 27442 1 91 . 1 1 11 11 LYS HE3 H 1 2.769 0.02 . . . . . . . 11 LYS HE3 . 27442 1 92 . 1 1 11 11 LYS C C 13 174.09 0.3 . . . . . . . 11 LYS C . 27442 1 93 . 1 1 11 11 LYS CA C 13 55.886 0.3 . . . . . . . 11 LYS CA . 27442 1 94 . 1 1 11 11 LYS CB C 13 34.426 0.3 . . . . . . . 11 LYS CB . 27442 1 95 . 1 1 11 11 LYS CG C 13 24.836 0.3 . . . . . . . 11 LYS CG . 27442 1 96 . 1 1 11 11 LYS CD C 13 29.034 0.3 . . . . . . . 11 LYS CD . 27442 1 97 . 1 1 11 11 LYS CE C 13 42.022 0.3 . . . . . . . 11 LYS CE . 27442 1 98 . 1 1 11 11 LYS N N 15 118.944 0.3 . . . . . . . 11 LYS N . 27442 1 99 . 1 1 12 12 ASP H H 1 7.875 0.02 . . . . . . . 12 ASP H . 27442 1 100 . 1 1 12 12 ASP HA H 1 4.704 0.02 . . . . . . . 12 ASP HA . 27442 1 101 . 1 1 12 12 ASP HB2 H 1 2.731 0.02 . . . . . . . 12 ASP HB2 . 27442 1 102 . 1 1 12 12 ASP HB3 H 1 2.617 0.02 . . . . . . . 12 ASP HB3 . 27442 1 103 . 1 1 12 12 ASP C C 13 177.235 0.3 . . . . . . . 12 ASP C . 27442 1 104 . 1 1 12 12 ASP CA C 13 52.527 0.3 . . . . . . . 12 ASP CA . 27442 1 105 . 1 1 12 12 ASP CB C 13 41.782 0.3 . . . . . . . 12 ASP CB . 27442 1 106 . 1 1 12 12 ASP N N 15 119.946 0.3 . . . . . . . 12 ASP N . 27442 1 107 . 1 1 13 13 TYR H H 1 9.37 0.02 . . . . . . . 13 TYR H . 27442 1 108 . 1 1 13 13 TYR HA H 1 4.201 0.02 . . . . . . . 13 TYR HA . 27442 1 109 . 1 1 13 13 TYR HB2 H 1 3.058 0.02 . . . . . . . 13 TYR HB2 . 27442 1 110 . 1 1 13 13 TYR HB3 H 1 2.812 0.02 . . . . . . . 13 TYR HB3 . 27442 1 111 . 1 1 13 13 TYR C C 13 176.497 0.3 . . . . . . . 13 TYR C . 27442 1 112 . 1 1 13 13 TYR CA C 13 60.542 0.3 . . . . . . . 13 TYR CA . 27442 1 113 . 1 1 13 13 TYR CB C 13 38.278 0.3 . . . . . . . 13 TYR CB . 27442 1 114 . 1 1 13 13 TYR N N 15 124.997 0.3 . . . . . . . 13 TYR N . 27442 1 115 . 1 1 14 14 SER H H 1 8.614 0.02 . . . . . . . 14 SER H . 27442 1 116 . 1 1 14 14 SER HA H 1 3.857 0.02 . . . . . . . 14 SER HA . 27442 1 117 . 1 1 14 14 SER HB2 H 1 3.765 0.02 . . . . . . . 14 SER HB2 . 27442 1 118 . 1 1 14 14 SER C C 13 177.105 0.3 . . . . . . . 14 SER C . 27442 1 119 . 1 1 14 14 SER CA C 13 62.661 0.3 . . . . . . . 14 SER CA . 27442 1 120 . 1 1 14 14 SER N N 15 117.441 0.3 . . . . . . . 14 SER N . 27442 1 121 . 1 1 15 15 GLN H H 1 8.172 0.02 . . . . . . . 15 GLN H . 27442 1 122 . 1 1 15 15 GLN HA H 1 4.023 0.02 . . . . . . . 15 GLN HA . 27442 1 123 . 1 1 15 15 GLN HB2 H 1 1.999 0.02 . . . . . . . 15 GLN HB2 . 27442 1 124 . 1 1 15 15 GLN HG2 H 1 2.316 0.02 . . . . . . . 15 GLN HG2 . 27442 1 125 . 1 1 15 15 GLN HE21 H 1 7.663 0.02 . . . . . . . 15 GLN HE21 . 27442 1 126 . 1 1 15 15 GLN HE22 H 1 6.797 0.02 . . . . . . . 15 GLN HE22 . 27442 1 127 . 1 1 15 15 GLN C C 13 178.36 0.3 . . . . . . . 15 GLN C . 27442 1 128 . 1 1 15 15 GLN CA C 13 58.044 0.3 . . . . . . . 15 GLN CA . 27442 1 129 . 1 1 15 15 GLN CB C 13 27.996 0.3 . . . . . . . 15 GLN CB . 27442 1 130 . 1 1 15 15 GLN CG C 13 33.614 0.3 . . . . . . . 15 GLN CG . 27442 1 131 . 1 1 15 15 GLN N N 15 121.176 0.3 . . . . . . . 15 GLN N . 27442 1 132 . 1 1 15 15 GLN NE2 N 15 112.857 0.3 . . . . . . . 15 GLN NE2 . 27442 1 133 . 1 1 16 16 ILE H H 1 7.42 0.02 . . . . . . . 16 ILE H . 27442 1 134 . 1 1 16 16 ILE HA H 1 3.798 0.02 . . . . . . . 16 ILE HA . 27442 1 135 . 1 1 16 16 ILE HB H 1 1.918 0.02 . . . . . . . 16 ILE HB . 27442 1 136 . 1 1 16 16 ILE HG12 H 1 1.493 0.02 . . . . . . . 16 ILE HG12 . 27442 1 137 . 1 1 16 16 ILE HG13 H 1 1.208 0.02 . . . . . . . 16 ILE HG13 . 27442 1 138 . 1 1 16 16 ILE HG21 H 1 0.922 0.02 . . . . . . . 16 ILE HG21 . 27442 1 139 . 1 1 16 16 ILE HG22 H 1 0.922 0.02 . . . . . . . 16 ILE HG21 . 27442 1 140 . 1 1 16 16 ILE HG23 H 1 0.922 0.02 . . . . . . . 16 ILE HG21 . 27442 1 141 . 1 1 16 16 ILE HD11 H 1 0.678 0.02 . . . . . . . 16 ILE HD11 . 27442 1 142 . 1 1 16 16 ILE HD12 H 1 0.678 0.02 . . . . . . . 16 ILE HD11 . 27442 1 143 . 1 1 16 16 ILE HD13 H 1 0.678 0.02 . . . . . . . 16 ILE HD11 . 27442 1 144 . 1 1 16 16 ILE C C 13 178.647 0.3 . . . . . . . 16 ILE C . 27442 1 145 . 1 1 16 16 ILE CA C 13 64.103 0.3 . . . . . . . 16 ILE CA . 27442 1 146 . 1 1 16 16 ILE CB C 13 37.774 0.3 . . . . . . . 16 ILE CB . 27442 1 147 . 1 1 16 16 ILE CG1 C 13 29.188 0.3 . . . . . . . 16 ILE CG1 . 27442 1 148 . 1 1 16 16 ILE CG2 C 13 17.305 0.3 . . . . . . . 16 ILE CG2 . 27442 1 149 . 1 1 16 16 ILE CD1 C 13 12.863 0.3 . . . . . . . 16 ILE CD1 . 27442 1 150 . 1 1 16 16 ILE N N 15 121.53 0.3 . . . . . . . 16 ILE N . 27442 1 151 . 1 1 17 17 LEU H H 1 8.116 0.02 . . . . . . . 17 LEU H . 27442 1 152 . 1 1 17 17 LEU HA H 1 3.276 0.02 . . . . . . . 17 LEU HA . 27442 1 153 . 1 1 17 17 LEU HB2 H 1 1.47 0.02 . . . . . . . 17 LEU HB2 . 27442 1 154 . 1 1 17 17 LEU HB3 H 1 0.477 0.02 . . . . . . . 17 LEU HB3 . 27442 1 155 . 1 1 17 17 LEU HG H 1 1.581 0.02 . . . . . . . 17 LEU HG . 27442 1 156 . 1 1 17 17 LEU HD11 H 1 0.587 0.02 . . . . . . . 17 LEU HD11 . 27442 1 157 . 1 1 17 17 LEU HD12 H 1 0.587 0.02 . . . . . . . 17 LEU HD11 . 27442 1 158 . 1 1 17 17 LEU HD13 H 1 0.587 0.02 . . . . . . . 17 LEU HD11 . 27442 1 159 . 1 1 17 17 LEU HD21 H 1 0.789 0.02 . . . . . . . 17 LEU HD21 . 27442 1 160 . 1 1 17 17 LEU HD22 H 1 0.789 0.02 . . . . . . . 17 LEU HD21 . 27442 1 161 . 1 1 17 17 LEU HD23 H 1 0.789 0.02 . . . . . . . 17 LEU HD21 . 27442 1 162 . 1 1 17 17 LEU C C 13 178.328 0.3 . . . . . . . 17 LEU C . 27442 1 163 . 1 1 17 17 LEU CA C 13 58.797 0.3 . . . . . . . 17 LEU CA . 27442 1 164 . 1 1 17 17 LEU CB C 13 39.865 0.3 . . . . . . . 17 LEU CB . 27442 1 165 . 1 1 17 17 LEU CG C 13 27.046 0.3 . . . . . . . 17 LEU CG . 27442 1 166 . 1 1 17 17 LEU CD1 C 13 23.68 0.3 . . . . . . . 17 LEU CD1 . 27442 1 167 . 1 1 17 17 LEU CD2 C 13 25.133 0.3 . . . . . . . 17 LEU CD2 . 27442 1 168 . 1 1 17 17 LEU N N 15 118.964 0.3 . . . . . . . 17 LEU N . 27442 1 169 . 1 1 18 18 LYS H H 1 7.027 0.02 . . . . . . . 18 LYS H . 27442 1 170 . 1 1 18 18 LYS HA H 1 3.902 0.02 . . . . . . . 18 LYS HA . 27442 1 171 . 1 1 18 18 LYS HB2 H 1 1.856 0.02 . . . . . . . 18 LYS HB2 . 27442 1 172 . 1 1 18 18 LYS HG2 H 1 1.391 0.02 . . . . . . . 18 LYS HG2 . 27442 1 173 . 1 1 18 18 LYS HG3 H 1 1.57 0.02 . . . . . . . 18 LYS HG3 . 27442 1 174 . 1 1 18 18 LYS HE2 H 1 2.991 0.02 . . . . . . . 18 LYS HE2 . 27442 1 175 . 1 1 18 18 LYS C C 13 178.574 0.3 . . . . . . . 18 LYS C . 27442 1 176 . 1 1 18 18 LYS CA C 13 59.011 0.3 . . . . . . . 18 LYS CA . 27442 1 177 . 1 1 18 18 LYS CB C 13 32.397 0.3 . . . . . . . 18 LYS CB . 27442 1 178 . 1 1 18 18 LYS CG C 13 25.159 0.3 . . . . . . . 18 LYS CG . 27442 1 179 . 1 1 18 18 LYS CD C 13 29.217 0.3 . . . . . . . 18 LYS CD . 27442 1 180 . 1 1 18 18 LYS CE C 13 42.131 0.3 . . . . . . . 18 LYS CE . 27442 1 181 . 1 1 18 18 LYS N N 15 115.178 0.3 . . . . . . . 18 LYS N . 27442 1 182 . 1 1 19 19 GLU H H 1 7.329 0.02 . . . . . . . 19 GLU H . 27442 1 183 . 1 1 19 19 GLU HA H 1 4.204 0.02 . . . . . . . 19 GLU HA . 27442 1 184 . 1 1 19 19 GLU HB2 H 1 2.164 0.02 . . . . . . . 19 GLU HB2 . 27442 1 185 . 1 1 19 19 GLU HB3 H 1 2.066 0.02 . . . . . . . 19 GLU HB3 . 27442 1 186 . 1 1 19 19 GLU HG2 H 1 2.24 0.02 . . . . . . . 19 GLU HG2 . 27442 1 187 . 1 1 19 19 GLU HG3 H 1 2.404 0.02 . . . . . . . 19 GLU HG3 . 27442 1 188 . 1 1 19 19 GLU C C 13 178.828 0.3 . . . . . . . 19 GLU C . 27442 1 189 . 1 1 19 19 GLU CA C 13 57.825 0.3 . . . . . . . 19 GLU CA . 27442 1 190 . 1 1 19 19 GLU CB C 13 30.455 0.3 . . . . . . . 19 GLU CB . 27442 1 191 . 1 1 19 19 GLU CG C 13 36.117 0.3 . . . . . . . 19 GLU CG . 27442 1 192 . 1 1 19 19 GLU N N 15 116.133 0.3 . . . . . . . 19 GLU N . 27442 1 193 . 1 1 20 20 GLU H H 1 8.58 0.02 . . . . . . . 20 GLU H . 27442 1 194 . 1 1 20 20 GLU HA H 1 4.338 0.02 . . . . . . . 20 GLU HA . 27442 1 195 . 1 1 20 20 GLU HB2 H 1 1.758 0.02 . . . . . . . 20 GLU HB2 . 27442 1 196 . 1 1 20 20 GLU HB3 H 1 2.26 0.02 . . . . . . . 20 GLU HB3 . 27442 1 197 . 1 1 20 20 GLU HG2 H 1 2.516 0.02 . . . . . . . 20 GLU HG2 . 27442 1 198 . 1 1 20 20 GLU C C 13 179.347 0.3 . . . . . . . 20 GLU C . 27442 1 199 . 1 1 20 20 GLU CA C 13 58.049 0.3 . . . . . . . 20 GLU CA . 27442 1 200 . 1 1 20 20 GLU CB C 13 30.673 0.3 . . . . . . . 20 GLU CB . 27442 1 201 . 1 1 20 20 GLU CG C 13 36.202 0.3 . . . . . . . 20 GLU CG . 27442 1 202 . 1 1 20 20 GLU N N 15 116.835 0.3 . . . . . . . 20 GLU N . 27442 1 203 . 1 1 21 21 PHE H H 1 9.052 0.02 . . . . . . . 21 PHE H . 27442 1 204 . 1 1 21 21 PHE HA H 1 4.685 0.02 . . . . . . . 21 PHE HA . 27442 1 205 . 1 1 21 21 PHE HB2 H 1 3.575 0.02 . . . . . . . 21 PHE HB2 . 27442 1 206 . 1 1 21 21 PHE HB3 H 1 3.24 0.02 . . . . . . . 21 PHE HB3 . 27442 1 207 . 1 1 21 21 PHE CA C 13 60.106 0.3 . . . . . . . 21 PHE CA . 27442 1 208 . 1 1 21 21 PHE CB C 13 34.279 0.3 . . . . . . . 21 PHE CB . 27442 1 209 . 1 1 21 21 PHE N N 15 119.56 0.3 . . . . . . . 21 PHE N . 27442 1 210 . 1 1 22 22 PRO HA H 1 4.408 0.02 . . . . . . . 22 PRO HA . 27442 1 211 . 1 1 22 22 PRO HB2 H 1 2.402 0.02 . . . . . . . 22 PRO HB2 . 27442 1 212 . 1 1 22 22 PRO HB3 H 1 1.802 0.02 . . . . . . . 22 PRO HB3 . 27442 1 213 . 1 1 22 22 PRO HG2 H 1 2.153 0.02 . . . . . . . 22 PRO HG2 . 27442 1 214 . 1 1 22 22 PRO HG3 H 1 2.026 0.02 . . . . . . . 22 PRO HG3 . 27442 1 215 . 1 1 22 22 PRO HD2 H 1 3.54 0.02 . . . . . . . 22 PRO HD2 . 27442 1 216 . 1 1 22 22 PRO HD3 H 1 3.627 0.02 . . . . . . . 22 PRO HD3 . 27442 1 217 . 1 1 22 22 PRO C C 13 180.067 0.3 . . . . . . . 22 PRO C . 27442 1 218 . 1 1 22 22 PRO CA C 13 66.244 0.3 . . . . . . . 22 PRO CA . 27442 1 219 . 1 1 22 22 PRO CB C 13 31.302 0.3 . . . . . . . 22 PRO CB . 27442 1 220 . 1 1 22 22 PRO CG C 13 28.742 0.3 . . . . . . . 22 PRO CG . 27442 1 221 . 1 1 22 22 PRO CD C 13 50.78 0.3 . . . . . . . 22 PRO CD . 27442 1 222 . 1 1 23 23 LYS H H 1 6.855 0.02 . . . . . . . 23 LYS H . 27442 1 223 . 1 1 23 23 LYS HA H 1 4.114 0.02 . . . . . . . 23 LYS HA . 27442 1 224 . 1 1 23 23 LYS HB2 H 1 2.142 0.02 . . . . . . . 23 LYS HB2 . 27442 1 225 . 1 1 23 23 LYS HB3 H 1 1.963 0.02 . . . . . . . 23 LYS HB3 . 27442 1 226 . 1 1 23 23 LYS HG2 H 1 1.423 0.02 . . . . . . . 23 LYS HG2 . 27442 1 227 . 1 1 23 23 LYS HG3 H 1 1.65 0.02 . . . . . . . 23 LYS HG3 . 27442 1 228 . 1 1 23 23 LYS HD2 H 1 1.746 0.02 . . . . . . . 23 LYS HD2 . 27442 1 229 . 1 1 23 23 LYS HE2 H 1 2.955 0.02 . . . . . . . 23 LYS HE2 . 27442 1 230 . 1 1 23 23 LYS C C 13 179.872 0.3 . . . . . . . 23 LYS C . 27442 1 231 . 1 1 23 23 LYS CA C 13 59.205 0.3 . . . . . . . 23 LYS CA . 27442 1 232 . 1 1 23 23 LYS CB C 13 32.273 0.3 . . . . . . . 23 LYS CB . 27442 1 233 . 1 1 23 23 LYS CG C 13 25.19 0.3 . . . . . . . 23 LYS CG . 27442 1 234 . 1 1 23 23 LYS CD C 13 29.695 0.3 . . . . . . . 23 LYS CD . 27442 1 235 . 1 1 23 23 LYS CE C 13 42.235 0.3 . . . . . . . 23 LYS CE . 27442 1 236 . 1 1 23 23 LYS N N 15 116.915 0.3 . . . . . . . 23 LYS N . 27442 1 237 . 1 1 24 24 ILE H H 1 8.319 0.02 . . . . . . . 24 ILE H . 27442 1 238 . 1 1 24 24 ILE HA H 1 3.534 0.02 . . . . . . . 24 ILE HA . 27442 1 239 . 1 1 24 24 ILE HB H 1 2.021 0.02 . . . . . . . 24 ILE HB . 27442 1 240 . 1 1 24 24 ILE HG12 H 1 1.038 0.02 . . . . . . . 24 ILE HG12 . 27442 1 241 . 1 1 24 24 ILE HG21 H 1 0.815 0.02 . . . . . . . 24 ILE HG21 . 27442 1 242 . 1 1 24 24 ILE HG22 H 1 0.815 0.02 . . . . . . . 24 ILE HG21 . 27442 1 243 . 1 1 24 24 ILE HG23 H 1 0.815 0.02 . . . . . . . 24 ILE HG21 . 27442 1 244 . 1 1 24 24 ILE HD11 H 1 0.882 0.02 . . . . . . . 24 ILE HD11 . 27442 1 245 . 1 1 24 24 ILE HD12 H 1 0.882 0.02 . . . . . . . 24 ILE HD11 . 27442 1 246 . 1 1 24 24 ILE HD13 H 1 0.882 0.02 . . . . . . . 24 ILE HD11 . 27442 1 247 . 1 1 24 24 ILE C C 13 177.398 0.3 . . . . . . . 24 ILE C . 27442 1 248 . 1 1 24 24 ILE CA C 13 65.647 0.3 . . . . . . . 24 ILE CA . 27442 1 249 . 1 1 24 24 ILE CB C 13 38.154 0.3 . . . . . . . 24 ILE CB . 27442 1 250 . 1 1 24 24 ILE CG1 C 13 30.056 0.3 . . . . . . . 24 ILE CG1 . 27442 1 251 . 1 1 24 24 ILE CG2 C 13 17.253 0.3 . . . . . . . 24 ILE CG2 . 27442 1 252 . 1 1 24 24 ILE CD1 C 13 14.322 0.3 . . . . . . . 24 ILE CD1 . 27442 1 253 . 1 1 24 24 ILE N N 15 123.86 0.3 . . . . . . . 24 ILE N . 27442 1 254 . 1 1 25 25 ASP H H 1 8.601 0.02 . . . . . . . 25 ASP H . 27442 1 255 . 1 1 25 25 ASP HA H 1 4.233 0.02 . . . . . . . 25 ASP HA . 27442 1 256 . 1 1 25 25 ASP HB2 H 1 2.657 0.02 . . . . . . . 25 ASP HB2 . 27442 1 257 . 1 1 25 25 ASP HB3 H 1 2.538 0.02 . . . . . . . 25 ASP HB3 . 27442 1 258 . 1 1 25 25 ASP C C 13 179.169 0.3 . . . . . . . 25 ASP C . 27442 1 259 . 1 1 25 25 ASP CA C 13 57.724 0.3 . . . . . . . 25 ASP CA . 27442 1 260 . 1 1 25 25 ASP CB C 13 40.09 0.3 . . . . . . . 25 ASP CB . 27442 1 261 . 1 1 25 25 ASP N N 15 120.311 0.3 . . . . . . . 25 ASP N . 27442 1 262 . 1 1 26 26 SER H H 1 7.5 0.02 . . . . . . . 26 SER H . 27442 1 263 . 1 1 26 26 SER HA H 1 4.212 0.02 . . . . . . . 26 SER HA . 27442 1 264 . 1 1 26 26 SER HB2 H 1 3.931 0.02 . . . . . . . 26 SER HB2 . 27442 1 265 . 1 1 26 26 SER C C 13 177.588 0.3 . . . . . . . 26 SER C . 27442 1 266 . 1 1 26 26 SER CA C 13 61.64 0.3 . . . . . . . 26 SER CA . 27442 1 267 . 1 1 26 26 SER CB C 13 62.758 0.3 . . . . . . . 26 SER CB . 27442 1 268 . 1 1 26 26 SER N N 15 114.026 0.3 . . . . . . . 26 SER N . 27442 1 269 . 1 1 27 27 LEU H H 1 7.961 0.02 . . . . . . . 27 LEU H . 27442 1 270 . 1 1 27 27 LEU HA H 1 4.163 0.02 . . . . . . . 27 LEU HA . 27442 1 271 . 1 1 27 27 LEU HB2 H 1 1.779 0.02 . . . . . . . 27 LEU HB2 . 27442 1 272 . 1 1 27 27 LEU HB3 H 1 1.716 0.02 . . . . . . . 27 LEU HB3 . 27442 1 273 . 1 1 27 27 LEU HG H 1 1.663 0.02 . . . . . . . 27 LEU HG . 27442 1 274 . 1 1 27 27 LEU HD11 H 1 0.786 0.02 . . . . . . . 27 LEU HD11 . 27442 1 275 . 1 1 27 27 LEU HD12 H 1 0.786 0.02 . . . . . . . 27 LEU HD11 . 27442 1 276 . 1 1 27 27 LEU HD13 H 1 0.786 0.02 . . . . . . . 27 LEU HD11 . 27442 1 277 . 1 1 27 27 LEU HD21 H 1 0.928 0.02 . . . . . . . 27 LEU HD21 . 27442 1 278 . 1 1 27 27 LEU HD22 H 1 0.928 0.02 . . . . . . . 27 LEU HD21 . 27442 1 279 . 1 1 27 27 LEU HD23 H 1 0.928 0.02 . . . . . . . 27 LEU HD21 . 27442 1 280 . 1 1 27 27 LEU C C 13 178.718 0.3 . . . . . . . 27 LEU C . 27442 1 281 . 1 1 27 27 LEU CA C 13 57.59 0.3 . . . . . . . 27 LEU CA . 27442 1 282 . 1 1 27 27 LEU CB C 13 42.587 0.3 . . . . . . . 27 LEU CB . 27442 1 283 . 1 1 27 27 LEU CG C 13 26.754 0.3 . . . . . . . 27 LEU CG . 27442 1 284 . 1 1 27 27 LEU CD1 C 13 25.159 0.3 . . . . . . . 27 LEU CD1 . 27442 1 285 . 1 1 27 27 LEU CD2 C 13 23.75 0.3 . . . . . . . 27 LEU CD2 . 27442 1 286 . 1 1 27 27 LEU N N 15 124.085 0.3 . . . . . . . 27 LEU N . 27442 1 287 . 1 1 28 28 ALA H H 1 8.575 0.02 . . . . . . . 28 ALA H . 27442 1 288 . 1 1 28 28 ALA HA H 1 3.57 0.02 . . . . . . . 28 ALA HA . 27442 1 289 . 1 1 28 28 ALA HB1 H 1 1.264 0.02 . . . . . . . 28 ALA HB1 . 27442 1 290 . 1 1 28 28 ALA HB2 H 1 1.264 0.02 . . . . . . . 28 ALA HB1 . 27442 1 291 . 1 1 28 28 ALA HB3 H 1 1.264 0.02 . . . . . . . 28 ALA HB1 . 27442 1 292 . 1 1 28 28 ALA C C 13 177.334 0.3 . . . . . . . 28 ALA C . 27442 1 293 . 1 1 28 28 ALA CA C 13 54.247 0.3 . . . . . . . 28 ALA CA . 27442 1 294 . 1 1 28 28 ALA CB C 13 18.655 0.3 . . . . . . . 28 ALA CB . 27442 1 295 . 1 1 28 28 ALA N N 15 119.154 0.3 . . . . . . . 28 ALA N . 27442 1 296 . 1 1 29 29 GLN H H 1 7.111 0.02 . . . . . . . 29 GLN H . 27442 1 297 . 1 1 29 29 GLN HA H 1 3.952 0.02 . . . . . . . 29 GLN HA . 27442 1 298 . 1 1 29 29 GLN HB2 H 1 2.078 0.02 . . . . . . . 29 GLN HB2 . 27442 1 299 . 1 1 29 29 GLN HG2 H 1 2.539 0.02 . . . . . . . 29 GLN HG2 . 27442 1 300 . 1 1 29 29 GLN HG3 H 1 2.45 0.02 . . . . . . . 29 GLN HG3 . 27442 1 301 . 1 1 29 29 GLN HE21 H 1 7.48 0.02 . . . . . . . 29 GLN HE21 . 27442 1 302 . 1 1 29 29 GLN C C 13 176.718 0.3 . . . . . . . 29 GLN C . 27442 1 303 . 1 1 29 29 GLN CA C 13 58.028 0.3 . . . . . . . 29 GLN CA . 27442 1 304 . 1 1 29 29 GLN CB C 13 28.584 0.3 . . . . . . . 29 GLN CB . 27442 1 305 . 1 1 29 29 GLN CG C 13 33.787 0.3 . . . . . . . 29 GLN CG . 27442 1 306 . 1 1 29 29 GLN N N 15 113.04 0.3 . . . . . . . 29 GLN N . 27442 1 307 . 1 1 29 29 GLN NE2 N 15 112.98 0.3 . . . . . . . 29 GLN NE2 . 27442 1 308 . 1 1 30 30 ASN H H 1 7.479 0.02 . . . . . . . 30 ASN H . 27442 1 309 . 1 1 30 30 ASN HA H 1 4.917 0.02 . . . . . . . 30 ASN HA . 27442 1 310 . 1 1 30 30 ASN HB2 H 1 2.791 0.02 . . . . . . . 30 ASN HB2 . 27442 1 311 . 1 1 30 30 ASN HB3 H 1 2.689 0.02 . . . . . . . 30 ASN HB3 . 27442 1 312 . 1 1 30 30 ASN HD21 H 1 6.901 0.02 . . . . . . . 30 ASN HD21 . 27442 1 313 . 1 1 30 30 ASN HD22 H 1 7.575 0.02 . . . . . . . 30 ASN HD22 . 27442 1 314 . 1 1 30 30 ASN C C 13 174.917 0.3 . . . . . . . 30 ASN C . 27442 1 315 . 1 1 30 30 ASN CA C 13 53.801 0.3 . . . . . . . 30 ASN CA . 27442 1 316 . 1 1 30 30 ASN CB C 13 41.165 0.3 . . . . . . . 30 ASN CB . 27442 1 317 . 1 1 30 30 ASN N N 15 112.905 0.3 . . . . . . . 30 ASN N . 27442 1 318 . 1 1 30 30 ASN ND2 N 15 113.807 0.3 . . . . . . . 30 ASN ND2 . 27442 1 319 . 1 1 31 31 ASP H H 1 8.492 0.02 . . . . . . . 31 ASP H . 27442 1 320 . 1 1 31 31 ASP HA H 1 4.707 0.02 . . . . . . . 31 ASP HA . 27442 1 321 . 1 1 31 31 ASP HB2 H 1 2.812 0.02 . . . . . . . 31 ASP HB2 . 27442 1 322 . 1 1 31 31 ASP HB3 H 1 2.516 0.02 . . . . . . . 31 ASP HB3 . 27442 1 323 . 1 1 31 31 ASP C C 13 174.393 0.3 . . . . . . . 31 ASP C . 27442 1 324 . 1 1 31 31 ASP CA C 13 53.475 0.3 . . . . . . . 31 ASP CA . 27442 1 325 . 1 1 31 31 ASP CB C 13 40.549 0.3 . . . . . . . 31 ASP CB . 27442 1 326 . 1 1 31 31 ASP N N 15 120.058 0.3 . . . . . . . 31 ASP N . 27442 1 327 . 1 1 32 32 CYS H H 1 8.867 0.02 . . . . . . . 32 CYS H . 27442 1 328 . 1 1 32 32 CYS HA H 1 3.904 0.02 . . . . . . . 32 CYS HA . 27442 1 329 . 1 1 32 32 CYS HB2 H 1 2.91 0.02 . . . . . . . 32 CYS HB2 . 27442 1 330 . 1 1 32 32 CYS HB3 H 1 2.817 0.02 . . . . . . . 32 CYS HB3 . 27442 1 331 . 1 1 32 32 CYS C C 13 175.858 0.3 . . . . . . . 32 CYS C . 27442 1 332 . 1 1 32 32 CYS CA C 13 62.678 0.3 . . . . . . . 32 CYS CA . 27442 1 333 . 1 1 32 32 CYS CB C 13 26.321 0.3 . . . . . . . 32 CYS CB . 27442 1 334 . 1 1 32 32 CYS N N 15 125.237 0.3 . . . . . . . 32 CYS N . 27442 1 335 . 1 1 33 33 ASN H H 1 8.42 0.02 . . . . . . . 33 ASN H . 27442 1 336 . 1 1 33 33 ASN HA H 1 4.309 0.02 . . . . . . . 33 ASN HA . 27442 1 337 . 1 1 33 33 ASN HB2 H 1 2.832 0.02 . . . . . . . 33 ASN HB2 . 27442 1 338 . 1 1 33 33 ASN HB3 H 1 2.692 0.02 . . . . . . . 33 ASN HB3 . 27442 1 339 . 1 1 33 33 ASN HD21 H 1 6.88 0.02 . . . . . . . 33 ASN HD21 . 27442 1 340 . 1 1 33 33 ASN HD22 H 1 7.712 0.02 . . . . . . . 33 ASN HD22 . 27442 1 341 . 1 1 33 33 ASN C C 13 177.674 0.3 . . . . . . . 33 ASN C . 27442 1 342 . 1 1 33 33 ASN CA C 13 56.862 0.3 . . . . . . . 33 ASN CA . 27442 1 343 . 1 1 33 33 ASN CB C 13 37.736 0.3 . . . . . . . 33 ASN CB . 27442 1 344 . 1 1 33 33 ASN N N 15 117.778 0.3 . . . . . . . 33 ASN N . 27442 1 345 . 1 1 33 33 ASN ND2 N 15 112.975 0.3 . . . . . . . 33 ASN ND2 . 27442 1 346 . 1 1 34 34 SER H H 1 7.9 0.02 . . . . . . . 34 SER H . 27442 1 347 . 1 1 34 34 SER HA H 1 4.28 0.02 . . . . . . . 34 SER HA . 27442 1 348 . 1 1 34 34 SER HB2 H 1 3.691 0.02 . . . . . . . 34 SER HB2 . 27442 1 349 . 1 1 34 34 SER HB3 H 1 3.814 0.02 . . . . . . . 34 SER HB3 . 27442 1 350 . 1 1 34 34 SER C C 13 176.727 0.3 . . . . . . . 34 SER C . 27442 1 351 . 1 1 34 34 SER CA C 13 61.643 0.3 . . . . . . . 34 SER CA . 27442 1 352 . 1 1 34 34 SER CB C 13 62.385 0.3 . . . . . . . 34 SER CB . 27442 1 353 . 1 1 34 34 SER N N 15 116.438 0.3 . . . . . . . 34 SER N . 27442 1 354 . 1 1 35 35 ALA H H 1 7.473 0.02 . . . . . . . 35 ALA H . 27442 1 355 . 1 1 35 35 ALA HA H 1 3.917 0.02 . . . . . . . 35 ALA HA . 27442 1 356 . 1 1 35 35 ALA HB1 H 1 1.393 0.02 . . . . . . . 35 ALA HB1 . 27442 1 357 . 1 1 35 35 ALA HB2 H 1 1.393 0.02 . . . . . . . 35 ALA HB1 . 27442 1 358 . 1 1 35 35 ALA HB3 H 1 1.393 0.02 . . . . . . . 35 ALA HB1 . 27442 1 359 . 1 1 35 35 ALA C C 13 178.404 0.3 . . . . . . . 35 ALA C . 27442 1 360 . 1 1 35 35 ALA CA C 13 55.61 0.3 . . . . . . . 35 ALA CA . 27442 1 361 . 1 1 35 35 ALA CB C 13 18.441 0.3 . . . . . . . 35 ALA CB . 27442 1 362 . 1 1 35 35 ALA N N 15 123.61 0.3 . . . . . . . 35 ALA N . 27442 1 363 . 1 1 36 36 LEU H H 1 8.285 0.02 . . . . . . . 36 LEU H . 27442 1 364 . 1 1 36 36 LEU HA H 1 3.853 0.02 . . . . . . . 36 LEU HA . 27442 1 365 . 1 1 36 36 LEU HB2 H 1 2.116 0.02 . . . . . . . 36 LEU HB2 . 27442 1 366 . 1 1 36 36 LEU HB3 H 1 1.293 0.02 . . . . . . . 36 LEU HB3 . 27442 1 367 . 1 1 36 36 LEU HG H 1 1.55 0.02 . . . . . . . 36 LEU HG . 27442 1 368 . 1 1 36 36 LEU C C 13 178.07 0.3 . . . . . . . 36 LEU C . 27442 1 369 . 1 1 36 36 LEU CA C 13 58.215 0.3 . . . . . . . 36 LEU CA . 27442 1 370 . 1 1 36 36 LEU CB C 13 40.785 0.3 . . . . . . . 36 LEU CB . 27442 1 371 . 1 1 36 36 LEU N N 15 118.946 0.3 . . . . . . . 36 LEU N . 27442 1 372 . 1 1 37 37 ASP H H 1 8.033 0.02 . . . . . . . 37 ASP H . 27442 1 373 . 1 1 37 37 ASP HA H 1 4.288 0.02 . . . . . . . 37 ASP HA . 27442 1 374 . 1 1 37 37 ASP HB2 H 1 2.831 0.02 . . . . . . . 37 ASP HB2 . 27442 1 375 . 1 1 37 37 ASP HB3 H 1 2.648 0.02 . . . . . . . 37 ASP HB3 . 27442 1 376 . 1 1 37 37 ASP C C 13 179.38 0.3 . . . . . . . 37 ASP C . 27442 1 377 . 1 1 37 37 ASP CA C 13 57.899 0.3 . . . . . . . 37 ASP CA . 27442 1 378 . 1 1 37 37 ASP CB C 13 40.483 0.3 . . . . . . . 37 ASP CB . 27442 1 379 . 1 1 37 37 ASP N N 15 118.36 0.3 . . . . . . . 37 ASP N . 27442 1 380 . 1 1 38 38 GLN H H 1 7.702 0.02 . . . . . . . 38 GLN H . 27442 1 381 . 1 1 38 38 GLN HA H 1 4.026 0.02 . . . . . . . 38 GLN HA . 27442 1 382 . 1 1 38 38 GLN HB2 H 1 2.086 0.02 . . . . . . . 38 GLN HB2 . 27442 1 383 . 1 1 38 38 GLN HG2 H 1 2.461 0.02 . . . . . . . 38 GLN HG2 . 27442 1 384 . 1 1 38 38 GLN C C 13 180.109 0.3 . . . . . . . 38 GLN C . 27442 1 385 . 1 1 38 38 GLN CA C 13 59.108 0.3 . . . . . . . 38 GLN CA . 27442 1 386 . 1 1 38 38 GLN CB C 13 28.133 0.3 . . . . . . . 38 GLN CB . 27442 1 387 . 1 1 38 38 GLN CG C 13 33.802 0.3 . . . . . . . 38 GLN CG . 27442 1 388 . 1 1 38 38 GLN N N 15 117.344 0.3 . . . . . . . 38 GLN N . 27442 1 389 . 1 1 39 39 LEU H H 1 8.216 0.02 . . . . . . . 39 LEU H . 27442 1 390 . 1 1 39 39 LEU HA H 1 4.069 0.02 . . . . . . . 39 LEU HA . 27442 1 391 . 1 1 39 39 LEU HB2 H 1 1.259 0.02 . . . . . . . 39 LEU HB2 . 27442 1 392 . 1 1 39 39 LEU HB3 H 1 2.153 0.02 . . . . . . . 39 LEU HB3 . 27442 1 393 . 1 1 39 39 LEU HG H 1 1.852 0.02 . . . . . . . 39 LEU HG . 27442 1 394 . 1 1 39 39 LEU C C 13 178.881 0.3 . . . . . . . 39 LEU C . 27442 1 395 . 1 1 39 39 LEU CA C 13 58.3 0.3 . . . . . . . 39 LEU CA . 27442 1 396 . 1 1 39 39 LEU CB C 13 41.717 0.3 . . . . . . . 39 LEU CB . 27442 1 397 . 1 1 39 39 LEU N N 15 121.898 0.3 . . . . . . . 39 LEU N . 27442 1 398 . 1 1 40 40 LEU H H 1 8.71 0.02 . . . . . . . 40 LEU H . 27442 1 399 . 1 1 40 40 LEU HA H 1 4.17 0.02 . . . . . . . 40 LEU HA . 27442 1 400 . 1 1 40 40 LEU HB2 H 1 1.384 0.02 . . . . . . . 40 LEU HB2 . 27442 1 401 . 1 1 40 40 LEU HB3 H 1 2.049 0.02 . . . . . . . 40 LEU HB3 . 27442 1 402 . 1 1 40 40 LEU HG H 1 1.769 0.02 . . . . . . . 40 LEU HG . 27442 1 403 . 1 1 40 40 LEU HD11 H 1 0.849 0.02 . . . . . . . 40 LEU HD11 . 27442 1 404 . 1 1 40 40 LEU HD12 H 1 0.849 0.02 . . . . . . . 40 LEU HD11 . 27442 1 405 . 1 1 40 40 LEU HD13 H 1 0.849 0.02 . . . . . . . 40 LEU HD11 . 27442 1 406 . 1 1 40 40 LEU HD21 H 1 0.65 0.02 . . . . . . . 40 LEU HD21 . 27442 1 407 . 1 1 40 40 LEU HD22 H 1 0.65 0.02 . . . . . . . 40 LEU HD21 . 27442 1 408 . 1 1 40 40 LEU HD23 H 1 0.65 0.02 . . . . . . . 40 LEU HD21 . 27442 1 409 . 1 1 40 40 LEU C C 13 181.323 0.3 . . . . . . . 40 LEU C . 27442 1 410 . 1 1 40 40 LEU CA C 13 57.629 0.3 . . . . . . . 40 LEU CA . 27442 1 411 . 1 1 40 40 LEU CB C 13 40.584 0.3 . . . . . . . 40 LEU CB . 27442 1 412 . 1 1 40 40 LEU CG C 13 26.708 0.3 . . . . . . . 40 LEU CG . 27442 1 413 . 1 1 40 40 LEU CD1 C 13 25.506 0.3 . . . . . . . 40 LEU CD1 . 27442 1 414 . 1 1 40 40 LEU CD2 C 13 21.755 0.3 . . . . . . . 40 LEU CD2 . 27442 1 415 . 1 1 40 40 LEU N N 15 120.202 0.3 . . . . . . . 40 LEU N . 27442 1 416 . 1 1 41 41 VAL H H 1 7.775 0.02 . . . . . . . 41 VAL H . 27442 1 417 . 1 1 41 41 VAL HA H 1 3.737 0.02 . . . . . . . 41 VAL HA . 27442 1 418 . 1 1 41 41 VAL HB H 1 2.265 0.02 . . . . . . . 41 VAL HB . 27442 1 419 . 1 1 41 41 VAL HG11 H 1 0.902 0.02 . . . . . . . 41 VAL HG11 . 27442 1 420 . 1 1 41 41 VAL HG12 H 1 0.902 0.02 . . . . . . . 41 VAL HG11 . 27442 1 421 . 1 1 41 41 VAL HG13 H 1 0.902 0.02 . . . . . . . 41 VAL HG11 . 27442 1 422 . 1 1 41 41 VAL HG21 H 1 1.071 0.02 . . . . . . . 41 VAL HG21 . 27442 1 423 . 1 1 41 41 VAL HG22 H 1 1.071 0.02 . . . . . . . 41 VAL HG21 . 27442 1 424 . 1 1 41 41 VAL HG23 H 1 1.071 0.02 . . . . . . . 41 VAL HG21 . 27442 1 425 . 1 1 41 41 VAL C C 13 178.738 0.3 . . . . . . . 41 VAL C . 27442 1 426 . 1 1 41 41 VAL CA C 13 67.017 0.3 . . . . . . . 41 VAL CA . 27442 1 427 . 1 1 41 41 VAL CB C 13 31.828 0.3 . . . . . . . 41 VAL CB . 27442 1 428 . 1 1 41 41 VAL CG1 C 13 21.242 0.3 . . . . . . . 41 VAL CG1 . 27442 1 429 . 1 1 41 41 VAL CG2 C 13 22.624 0.3 . . . . . . . 41 VAL CG2 . 27442 1 430 . 1 1 41 41 VAL N N 15 123.804 0.3 . . . . . . . 41 VAL N . 27442 1 431 . 1 1 42 42 LEU H H 1 7.293 0.02 . . . . . . . 42 LEU H . 27442 1 432 . 1 1 42 42 LEU HA H 1 3.879 0.02 . . . . . . . 42 LEU HA . 27442 1 433 . 1 1 42 42 LEU HB2 H 1 2.12 0.02 . . . . . . . 42 LEU HB2 . 27442 1 434 . 1 1 42 42 LEU HB3 H 1 1.251 0.02 . . . . . . . 42 LEU HB3 . 27442 1 435 . 1 1 42 42 LEU HG H 1 1.89 0.02 . . . . . . . 42 LEU HG . 27442 1 436 . 1 1 42 42 LEU HD11 H 1 0.889 0.02 . . . . . . . 42 LEU HD11 . 27442 1 437 . 1 1 42 42 LEU HD12 H 1 0.889 0.02 . . . . . . . 42 LEU HD11 . 27442 1 438 . 1 1 42 42 LEU HD13 H 1 0.889 0.02 . . . . . . . 42 LEU HD11 . 27442 1 439 . 1 1 42 42 LEU HD21 H 1 0.738 0.02 . . . . . . . 42 LEU HD21 . 27442 1 440 . 1 1 42 42 LEU HD22 H 1 0.738 0.02 . . . . . . . 42 LEU HD21 . 27442 1 441 . 1 1 42 42 LEU HD23 H 1 0.738 0.02 . . . . . . . 42 LEU HD21 . 27442 1 442 . 1 1 42 42 LEU C C 13 179.255 0.3 . . . . . . . 42 LEU C . 27442 1 443 . 1 1 42 42 LEU CA C 13 57.756 0.3 . . . . . . . 42 LEU CA . 27442 1 444 . 1 1 42 42 LEU CB C 13 42.285 0.3 . . . . . . . 42 LEU CB . 27442 1 445 . 1 1 42 42 LEU CG C 13 26.684 0.3 . . . . . . . 42 LEU CG . 27442 1 446 . 1 1 42 42 LEU CD1 C 13 25.704 0.3 . . . . . . . 42 LEU CD1 . 27442 1 447 . 1 1 42 42 LEU CD2 C 13 22.44 0.3 . . . . . . . 42 LEU CD2 . 27442 1 448 . 1 1 42 42 LEU N N 15 118.902 0.3 . . . . . . . 42 LEU N . 27442 1 449 . 1 1 43 43 GLU H H 1 9.13 0.02 . . . . . . . 43 GLU H . 27442 1 450 . 1 1 43 43 GLU HA H 1 3.561 0.02 . . . . . . . 43 GLU HA . 27442 1 451 . 1 1 43 43 GLU HB2 H 1 1.754 0.02 . . . . . . . 43 GLU HB2 . 27442 1 452 . 1 1 43 43 GLU HB3 H 1 2.5 0.02 . . . . . . . 43 GLU HB3 . 27442 1 453 . 1 1 43 43 GLU HG2 H 1 2.251 0.02 . . . . . . . 43 GLU HG2 . 27442 1 454 . 1 1 43 43 GLU HG3 H 1 2.2 0.02 . . . . . . . 43 GLU HG3 . 27442 1 455 . 1 1 43 43 GLU C C 13 177.065 0.3 . . . . . . . 43 GLU C . 27442 1 456 . 1 1 43 43 GLU CA C 13 61.278 0.3 . . . . . . . 43 GLU CA . 27442 1 457 . 1 1 43 43 GLU CB C 13 28.734 0.3 . . . . . . . 43 GLU CB . 27442 1 458 . 1 1 43 43 GLU CG C 13 37.73 0.3 . . . . . . . 43 GLU CG . 27442 1 459 . 1 1 43 43 GLU N N 15 123.434 0.3 . . . . . . . 43 GLU N . 27442 1 460 . 1 1 44 44 LYS H H 1 7.245 0.02 . . . . . . . 44 LYS H . 27442 1 461 . 1 1 44 44 LYS HA H 1 3.835 0.02 . . . . . . . 44 LYS HA . 27442 1 462 . 1 1 44 44 LYS HB2 H 1 1.97 0.02 . . . . . . . 44 LYS HB2 . 27442 1 463 . 1 1 44 44 LYS HE2 H 1 2.988 0.02 . . . . . . . 44 LYS HE2 . 27442 1 464 . 1 1 44 44 LYS C C 13 178.477 0.3 . . . . . . . 44 LYS C . 27442 1 465 . 1 1 44 44 LYS CA C 13 59.863 0.3 . . . . . . . 44 LYS CA . 27442 1 466 . 1 1 44 44 LYS CB C 13 32.166 0.3 . . . . . . . 44 LYS CB . 27442 1 467 . 1 1 44 44 LYS N N 15 119.316 0.3 . . . . . . . 44 LYS N . 27442 1 468 . 1 1 45 45 LYS H H 1 7.687 0.02 . . . . . . . 45 LYS H . 27442 1 469 . 1 1 45 45 LYS HA H 1 3.935 0.02 . . . . . . . 45 LYS HA . 27442 1 470 . 1 1 45 45 LYS HB2 H 1 1.579 0.02 . . . . . . . 45 LYS HB2 . 27442 1 471 . 1 1 45 45 LYS HB3 H 1 1.427 0.02 . . . . . . . 45 LYS HB3 . 27442 1 472 . 1 1 45 45 LYS C C 13 180.101 0.3 . . . . . . . 45 LYS C . 27442 1 473 . 1 1 45 45 LYS CA C 13 59.822 0.3 . . . . . . . 45 LYS CA . 27442 1 474 . 1 1 45 45 LYS CB C 13 32.148 0.3 . . . . . . . 45 LYS CB . 27442 1 475 . 1 1 45 45 LYS CG C 13 25.093 0.3 . . . . . . . 45 LYS CG . 27442 1 476 . 1 1 45 45 LYS N N 15 117.313 0.3 . . . . . . . 45 LYS N . 27442 1 477 . 1 1 46 46 THR H H 1 8.105 0.02 . . . . . . . 46 THR H . 27442 1 478 . 1 1 46 46 THR HA H 1 3.635 0.02 . . . . . . . 46 THR HA . 27442 1 479 . 1 1 46 46 THR HB H 1 4.026 0.02 . . . . . . . 46 THR HB . 27442 1 480 . 1 1 46 46 THR HG21 H 1 0.911 0.02 . . . . . . . 46 THR HG21 . 27442 1 481 . 1 1 46 46 THR HG22 H 1 0.911 0.02 . . . . . . . 46 THR HG21 . 27442 1 482 . 1 1 46 46 THR HG23 H 1 0.911 0.02 . . . . . . . 46 THR HG21 . 27442 1 483 . 1 1 46 46 THR C C 13 176.44 0.3 . . . . . . . 46 THR C . 27442 1 484 . 1 1 46 46 THR CA C 13 65.775 0.3 . . . . . . . 46 THR CA . 27442 1 485 . 1 1 46 46 THR CB C 13 68.587 0.3 . . . . . . . 46 THR CB . 27442 1 486 . 1 1 46 46 THR CG2 C 13 23.277 0.3 . . . . . . . 46 THR CG2 . 27442 1 487 . 1 1 46 46 THR N N 15 109.606 0.3 . . . . . . . 46 THR N . 27442 1 488 . 1 1 47 47 ARG H H 1 8.024 0.02 . . . . . . . 47 ARG H . 27442 1 489 . 1 1 47 47 ARG HA H 1 4.01 0.02 . . . . . . . 47 ARG HA . 27442 1 490 . 1 1 47 47 ARG HB2 H 1 2.083 0.02 . . . . . . . 47 ARG HB2 . 27442 1 491 . 1 1 47 47 ARG HB3 H 1 1.977 0.02 . . . . . . . 47 ARG HB3 . 27442 1 492 . 1 1 47 47 ARG C C 13 180.658 0.3 . . . . . . . 47 ARG C . 27442 1 493 . 1 1 47 47 ARG CA C 13 59.645 0.3 . . . . . . . 47 ARG CA . 27442 1 494 . 1 1 47 47 ARG CB C 13 29.97 0.3 . . . . . . . 47 ARG CB . 27442 1 495 . 1 1 47 47 ARG N N 15 125.124 0.3 . . . . . . . 47 ARG N . 27442 1 496 . 1 1 48 48 GLN H H 1 8.692 0.02 . . . . . . . 48 GLN H . 27442 1 497 . 1 1 48 48 GLN HA H 1 4.047 0.02 . . . . . . . 48 GLN HA . 27442 1 498 . 1 1 48 48 GLN HB2 H 1 2.187 0.02 . . . . . . . 48 GLN HB2 . 27442 1 499 . 1 1 48 48 GLN HB3 H 1 2.055 0.02 . . . . . . . 48 GLN HB3 . 27442 1 500 . 1 1 48 48 GLN HG2 H 1 2.665 0.02 . . . . . . . 48 GLN HG2 . 27442 1 501 . 1 1 48 48 GLN HG3 H 1 2.397 0.02 . . . . . . . 48 GLN HG3 . 27442 1 502 . 1 1 48 48 GLN HE21 H 1 7.496 0.02 . . . . . . . 48 GLN HE21 . 27442 1 503 . 1 1 48 48 GLN HE22 H 1 6.84 0.02 . . . . . . . 48 GLN HE22 . 27442 1 504 . 1 1 48 48 GLN C C 13 177.545 0.3 . . . . . . . 48 GLN C . 27442 1 505 . 1 1 48 48 GLN CA C 13 59.1 0.3 . . . . . . . 48 GLN CA . 27442 1 506 . 1 1 48 48 GLN CB C 13 28.258 0.3 . . . . . . . 48 GLN CB . 27442 1 507 . 1 1 48 48 GLN CG C 13 34.728 0.3 . . . . . . . 48 GLN CG . 27442 1 508 . 1 1 48 48 GLN N N 15 119.449 0.3 . . . . . . . 48 GLN N . 27442 1 509 . 1 1 48 48 GLN NE2 N 15 111.549 0.3 . . . . . . . 48 GLN NE2 . 27442 1 510 . 1 1 49 49 ALA H H 1 7.321 0.02 . . . . . . . 49 ALA H . 27442 1 511 . 1 1 49 49 ALA HA H 1 4.537 0.02 . . . . . . . 49 ALA HA . 27442 1 512 . 1 1 49 49 ALA HB1 H 1 1.72 0.02 . . . . . . . 49 ALA HB1 . 27442 1 513 . 1 1 49 49 ALA HB2 H 1 1.72 0.02 . . . . . . . 49 ALA HB1 . 27442 1 514 . 1 1 49 49 ALA HB3 H 1 1.72 0.02 . . . . . . . 49 ALA HB1 . 27442 1 515 . 1 1 49 49 ALA C C 13 176.153 0.3 . . . . . . . 49 ALA C . 27442 1 516 . 1 1 49 49 ALA CA C 13 51.962 0.3 . . . . . . . 49 ALA CA . 27442 1 517 . 1 1 49 49 ALA CB C 13 20.112 0.3 . . . . . . . 49 ALA CB . 27442 1 518 . 1 1 49 49 ALA N N 15 118.674 0.3 . . . . . . . 49 ALA N . 27442 1 519 . 1 1 50 50 SER H H 1 7.96 0.02 . . . . . . . 50 SER H . 27442 1 520 . 1 1 50 50 SER HA H 1 3.843 0.02 . . . . . . . 50 SER HA . 27442 1 521 . 1 1 50 50 SER HB2 H 1 4.037 0.02 . . . . . . . 50 SER HB2 . 27442 1 522 . 1 1 50 50 SER HB3 H 1 4.174 0.02 . . . . . . . 50 SER HB3 . 27442 1 523 . 1 1 50 50 SER C C 13 173.537 0.3 . . . . . . . 50 SER C . 27442 1 524 . 1 1 50 50 SER CA C 13 59.111 0.3 . . . . . . . 50 SER CA . 27442 1 525 . 1 1 50 50 SER CB C 13 62.001 0.3 . . . . . . . 50 SER CB . 27442 1 526 . 1 1 50 50 SER N N 15 113.121 0.3 . . . . . . . 50 SER N . 27442 1 527 . 1 1 51 51 ASP H H 1 8.146 0.02 . . . . . . . 51 ASP H . 27442 1 528 . 1 1 51 51 ASP HA H 1 4.797 0.02 . . . . . . . 51 ASP HA . 27442 1 529 . 1 1 51 51 ASP HB2 H 1 2.872 0.02 . . . . . . . 51 ASP HB2 . 27442 1 530 . 1 1 51 51 ASP C C 13 175.224 0.3 . . . . . . . 51 ASP C . 27442 1 531 . 1 1 51 51 ASP CA C 13 51.774 0.3 . . . . . . . 51 ASP CA . 27442 1 532 . 1 1 51 51 ASP CB C 13 39.578 0.3 . . . . . . . 51 ASP CB . 27442 1 533 . 1 1 51 51 ASP N N 15 117.629 0.3 . . . . . . . 51 ASP N . 27442 1 534 . 1 1 52 52 LEU H H 1 7.632 0.02 . . . . . . . 52 LEU H . 27442 1 535 . 1 1 52 52 LEU HA H 1 3.903 0.02 . . . . . . . 52 LEU HA . 27442 1 536 . 1 1 52 52 LEU HB2 H 1 1.799 0.02 . . . . . . . 52 LEU HB2 . 27442 1 537 . 1 1 52 52 LEU HB3 H 1 1.563 0.02 . . . . . . . 52 LEU HB3 . 27442 1 538 . 1 1 52 52 LEU HG H 1 1.431 0.02 . . . . . . . 52 LEU HG . 27442 1 539 . 1 1 52 52 LEU HD11 H 1 0.934 0.02 . . . . . . . 52 LEU HD11 . 27442 1 540 . 1 1 52 52 LEU HD12 H 1 0.934 0.02 . . . . . . . 52 LEU HD11 . 27442 1 541 . 1 1 52 52 LEU HD13 H 1 0.934 0.02 . . . . . . . 52 LEU HD11 . 27442 1 542 . 1 1 52 52 LEU HD21 H 1 0.912 0.02 . . . . . . . 52 LEU HD21 . 27442 1 543 . 1 1 52 52 LEU HD22 H 1 0.912 0.02 . . . . . . . 52 LEU HD21 . 27442 1 544 . 1 1 52 52 LEU HD23 H 1 0.912 0.02 . . . . . . . 52 LEU HD21 . 27442 1 545 . 1 1 52 52 LEU C C 13 177.41 0.3 . . . . . . . 52 LEU C . 27442 1 546 . 1 1 52 52 LEU CA C 13 58.406 0.3 . . . . . . . 52 LEU CA . 27442 1 547 . 1 1 52 52 LEU CB C 13 42.185 0.3 . . . . . . . 52 LEU CB . 27442 1 548 . 1 1 52 52 LEU CG C 13 27.257 0.3 . . . . . . . 52 LEU CG . 27442 1 549 . 1 1 52 52 LEU CD1 C 13 26.051 0.3 . . . . . . . 52 LEU CD1 . 27442 1 550 . 1 1 52 52 LEU CD2 C 13 24.674 0.3 . . . . . . . 52 LEU CD2 . 27442 1 551 . 1 1 52 52 LEU N N 15 125.711 0.3 . . . . . . . 52 LEU N . 27442 1 552 . 1 1 53 53 ALA H H 1 8.446 0.02 . . . . . . . 53 ALA H . 27442 1 553 . 1 1 53 53 ALA HA H 1 3.878 0.02 . . . . . . . 53 ALA HA . 27442 1 554 . 1 1 53 53 ALA HB1 H 1 1.43 0.02 . . . . . . . 53 ALA HB1 . 27442 1 555 . 1 1 53 53 ALA HB2 H 1 1.43 0.02 . . . . . . . 53 ALA HB1 . 27442 1 556 . 1 1 53 53 ALA HB3 H 1 1.43 0.02 . . . . . . . 53 ALA HB1 . 27442 1 557 . 1 1 53 53 ALA C C 13 181.141 0.3 . . . . . . . 53 ALA C . 27442 1 558 . 1 1 53 53 ALA CA C 13 55.677 0.3 . . . . . . . 53 ALA CA . 27442 1 559 . 1 1 53 53 ALA CB C 13 18.213 0.3 . . . . . . . 53 ALA CB . 27442 1 560 . 1 1 53 53 ALA N N 15 119.163 0.3 . . . . . . . 53 ALA N . 27442 1 561 . 1 1 54 54 SER H H 1 7.527 0.02 . . . . . . . 54 SER H . 27442 1 562 . 1 1 54 54 SER HA H 1 4.232 0.02 . . . . . . . 54 SER HA . 27442 1 563 . 1 1 54 54 SER HB2 H 1 3.907 0.02 . . . . . . . 54 SER HB2 . 27442 1 564 . 1 1 54 54 SER HB3 H 1 4.008 0.02 . . . . . . . 54 SER HB3 . 27442 1 565 . 1 1 54 54 SER CA C 13 61.258 0.3 . . . . . . . 54 SER CA . 27442 1 566 . 1 1 54 54 SER CB C 13 62.209 0.3 . . . . . . . 54 SER CB . 27442 1 567 . 1 1 54 54 SER N N 15 113.07 0.3 . . . . . . . 54 SER N . 27442 1 568 . 1 1 55 55 SER H H 1 8.563 0.02 . . . . . . . 55 SER H . 27442 1 569 . 1 1 55 55 SER HA H 1 4.007 0.02 . . . . . . . 55 SER HA . 27442 1 570 . 1 1 55 55 SER HB2 H 1 4.208 0.02 . . . . . . . 55 SER HB2 . 27442 1 571 . 1 1 55 55 SER C C 13 176.842 0.3 . . . . . . . 55 SER C . 27442 1 572 . 1 1 55 55 SER CA C 13 62.114 0.3 . . . . . . . 55 SER CA . 27442 1 573 . 1 1 55 55 SER N N 15 119.079 0.3 . . . . . . . 55 SER N . 27442 1 574 . 1 1 56 56 LYS H H 1 8.368 0.02 . . . . . . . 56 LYS H . 27442 1 575 . 1 1 56 56 LYS HA H 1 3.847 0.02 . . . . . . . 56 LYS HA . 27442 1 576 . 1 1 56 56 LYS HB2 H 1 2.19 0.02 . . . . . . . 56 LYS HB2 . 27442 1 577 . 1 1 56 56 LYS HB3 H 1 1.748 0.02 . . . . . . . 56 LYS HB3 . 27442 1 578 . 1 1 56 56 LYS C C 13 178.437 0.3 . . . . . . . 56 LYS C . 27442 1 579 . 1 1 56 56 LYS CA C 13 61.136 0.3 . . . . . . . 56 LYS CA . 27442 1 580 . 1 1 56 56 LYS CB C 13 32.582 0.3 . . . . . . . 56 LYS CB . 27442 1 581 . 1 1 56 56 LYS N N 15 116.931 0.3 . . . . . . . 56 LYS N . 27442 1 582 . 1 1 57 57 GLU H H 1 7.027 0.02 . . . . . . . 57 GLU H . 27442 1 583 . 1 1 57 57 GLU HA H 1 4.265 0.02 . . . . . . . 57 GLU HA . 27442 1 584 . 1 1 57 57 GLU HB2 H 1 2.289 0.02 . . . . . . . 57 GLU HB2 . 27442 1 585 . 1 1 57 57 GLU HG2 H 1 2.42 0.02 . . . . . . . 57 GLU HG2 . 27442 1 586 . 1 1 57 57 GLU HG3 H 1 2.503 0.02 . . . . . . . 57 GLU HG3 . 27442 1 587 . 1 1 57 57 GLU C C 13 180.466 0.3 . . . . . . . 57 GLU C . 27442 1 588 . 1 1 57 57 GLU CA C 13 59.182 0.3 . . . . . . . 57 GLU CA . 27442 1 589 . 1 1 57 57 GLU CB C 13 30.071 0.3 . . . . . . . 57 GLU CB . 27442 1 590 . 1 1 57 57 GLU CG C 13 35.957 0.3 . . . . . . . 57 GLU CG . 27442 1 591 . 1 1 57 57 GLU N N 15 114.666 0.3 . . . . . . . 57 GLU N . 27442 1 592 . 1 1 58 58 VAL H H 1 8.508 0.02 . . . . . . . 58 VAL H . 27442 1 593 . 1 1 58 58 VAL HA H 1 3.658 0.02 . . . . . . . 58 VAL HA . 27442 1 594 . 1 1 58 58 VAL HB H 1 2.33 0.02 . . . . . . . 58 VAL HB . 27442 1 595 . 1 1 58 58 VAL HG11 H 1 0.91 0.02 . . . . . . . 58 VAL HG11 . 27442 1 596 . 1 1 58 58 VAL HG12 H 1 0.91 0.02 . . . . . . . 58 VAL HG11 . 27442 1 597 . 1 1 58 58 VAL HG13 H 1 0.91 0.02 . . . . . . . 58 VAL HG11 . 27442 1 598 . 1 1 58 58 VAL HG21 H 1 1.124 0.02 . . . . . . . 58 VAL HG21 . 27442 1 599 . 1 1 58 58 VAL HG22 H 1 1.124 0.02 . . . . . . . 58 VAL HG21 . 27442 1 600 . 1 1 58 58 VAL HG23 H 1 1.124 0.02 . . . . . . . 58 VAL HG21 . 27442 1 601 . 1 1 58 58 VAL C C 13 177.667 0.3 . . . . . . . 58 VAL C . 27442 1 602 . 1 1 58 58 VAL CA C 13 67.707 0.3 . . . . . . . 58 VAL CA . 27442 1 603 . 1 1 58 58 VAL CB C 13 31.524 0.3 . . . . . . . 58 VAL CB . 27442 1 604 . 1 1 58 58 VAL CG1 C 13 22.549 0.3 . . . . . . . 58 VAL CG1 . 27442 1 605 . 1 1 58 58 VAL CG2 C 13 24.949 0.3 . . . . . . . 58 VAL CG2 . 27442 1 606 . 1 1 58 58 VAL N N 15 121.297 0.3 . . . . . . . 58 VAL N . 27442 1 607 . 1 1 59 59 LEU H H 1 8.974 0.02 . . . . . . . 59 LEU H . 27442 1 608 . 1 1 59 59 LEU HA H 1 3.928 0.02 . . . . . . . 59 LEU HA . 27442 1 609 . 1 1 59 59 LEU HB2 H 1 1.455 0.02 . . . . . . . 59 LEU HB2 . 27442 1 610 . 1 1 59 59 LEU HB3 H 1 1.894 0.02 . . . . . . . 59 LEU HB3 . 27442 1 611 . 1 1 59 59 LEU HG H 1 2.111 0.02 . . . . . . . 59 LEU HG . 27442 1 612 . 1 1 59 59 LEU HD11 H 1 0.827 0.02 . . . . . . . 59 LEU HD11 . 27442 1 613 . 1 1 59 59 LEU HD12 H 1 0.827 0.02 . . . . . . . 59 LEU HD11 . 27442 1 614 . 1 1 59 59 LEU HD13 H 1 0.827 0.02 . . . . . . . 59 LEU HD11 . 27442 1 615 . 1 1 59 59 LEU HD21 H 1 0.843 0.02 . . . . . . . 59 LEU HD21 . 27442 1 616 . 1 1 59 59 LEU HD22 H 1 0.843 0.02 . . . . . . . 59 LEU HD21 . 27442 1 617 . 1 1 59 59 LEU HD23 H 1 0.843 0.02 . . . . . . . 59 LEU HD21 . 27442 1 618 . 1 1 59 59 LEU C C 13 180.132 0.3 . . . . . . . 59 LEU C . 27442 1 619 . 1 1 59 59 LEU CA C 13 59.011 0.3 . . . . . . . 59 LEU CA . 27442 1 620 . 1 1 59 59 LEU CB C 13 39.677 0.3 . . . . . . . 59 LEU CB . 27442 1 621 . 1 1 59 59 LEU CG C 13 26.805 0.3 . . . . . . . 59 LEU CG . 27442 1 622 . 1 1 59 59 LEU CD1 C 13 26.324 0.3 . . . . . . . 59 LEU CD1 . 27442 1 623 . 1 1 59 59 LEU CD2 C 13 24.122 0.3 . . . . . . . 59 LEU CD2 . 27442 1 624 . 1 1 59 59 LEU N N 15 118.928 0.3 . . . . . . . 59 LEU N . 27442 1 625 . 1 1 60 60 ALA H H 1 8.511 0.02 . . . . . . . 60 ALA H . 27442 1 626 . 1 1 60 60 ALA HA H 1 3.813 0.02 . . . . . . . 60 ALA HA . 27442 1 627 . 1 1 60 60 ALA HB1 H 1 1.659 0.02 . . . . . . . 60 ALA HB1 . 27442 1 628 . 1 1 60 60 ALA HB2 H 1 1.659 0.02 . . . . . . . 60 ALA HB1 . 27442 1 629 . 1 1 60 60 ALA HB3 H 1 1.659 0.02 . . . . . . . 60 ALA HB1 . 27442 1 630 . 1 1 60 60 ALA C C 13 179.159 0.3 . . . . . . . 60 ALA C . 27442 1 631 . 1 1 60 60 ALA CA C 13 55.687 0.3 . . . . . . . 60 ALA CA . 27442 1 632 . 1 1 60 60 ALA CB C 13 18.974 0.3 . . . . . . . 60 ALA CB . 27442 1 633 . 1 1 60 60 ALA N N 15 119.366 0.3 . . . . . . . 60 ALA N . 27442 1 634 . 1 1 61 61 LYS H H 1 7.84 0.02 . . . . . . . 61 LYS H . 27442 1 635 . 1 1 61 61 LYS HA H 1 4.02 0.02 . . . . . . . 61 LYS HA . 27442 1 636 . 1 1 61 61 LYS HB2 H 1 1.823 0.02 . . . . . . . 61 LYS HB2 . 27442 1 637 . 1 1 61 61 LYS HB3 H 1 1.687 0.02 . . . . . . . 61 LYS HB3 . 27442 1 638 . 1 1 61 61 LYS HG2 H 1 0.735 0.02 . . . . . . . 61 LYS HG2 . 27442 1 639 . 1 1 61 61 LYS HG3 H 1 0.982 0.02 . . . . . . . 61 LYS HG3 . 27442 1 640 . 1 1 61 61 LYS HD2 H 1 1.088 0.02 . . . . . . . 61 LYS HD2 . 27442 1 641 . 1 1 61 61 LYS HD3 H 1 0.919 0.02 . . . . . . . 61 LYS HD3 . 27442 1 642 . 1 1 61 61 LYS HE2 H 1 2.211 0.02 . . . . . . . 61 LYS HE2 . 27442 1 643 . 1 1 61 61 LYS HE3 H 1 2.142 0.02 . . . . . . . 61 LYS HE3 . 27442 1 644 . 1 1 61 61 LYS C C 13 178.848 0.3 . . . . . . . 61 LYS C . 27442 1 645 . 1 1 61 61 LYS CA C 13 58.123 0.3 . . . . . . . 61 LYS CA . 27442 1 646 . 1 1 61 61 LYS CB C 13 31.261 0.3 . . . . . . . 61 LYS CB . 27442 1 647 . 1 1 61 61 LYS CG C 13 24.924 0.3 . . . . . . . 61 LYS CG . 27442 1 648 . 1 1 61 61 LYS CD C 13 27.522 0.3 . . . . . . . 61 LYS CD . 27442 1 649 . 1 1 61 61 LYS CE C 13 41.265 0.3 . . . . . . . 61 LYS CE . 27442 1 650 . 1 1 61 61 LYS N N 15 119.838 0.3 . . . . . . . 61 LYS N . 27442 1 651 . 1 1 62 62 ILE H H 1 8.077 0.02 . . . . . . . 62 ILE H . 27442 1 652 . 1 1 62 62 ILE HA H 1 3.285 0.02 . . . . . . . 62 ILE HA . 27442 1 653 . 1 1 62 62 ILE HB H 1 2.047 0.02 . . . . . . . 62 ILE HB . 27442 1 654 . 1 1 62 62 ILE HG12 H 1 1.99 0.02 . . . . . . . 62 ILE HG12 . 27442 1 655 . 1 1 62 62 ILE HG21 H 1 0.54 0.02 . . . . . . . 62 ILE HG21 . 27442 1 656 . 1 1 62 62 ILE HG22 H 1 0.54 0.02 . . . . . . . 62 ILE HG21 . 27442 1 657 . 1 1 62 62 ILE HG23 H 1 0.54 0.02 . . . . . . . 62 ILE HG21 . 27442 1 658 . 1 1 62 62 ILE HD11 H 1 0.66 0.02 . . . . . . . 62 ILE HD11 . 27442 1 659 . 1 1 62 62 ILE HD12 H 1 0.66 0.02 . . . . . . . 62 ILE HD11 . 27442 1 660 . 1 1 62 62 ILE HD13 H 1 0.66 0.02 . . . . . . . 62 ILE HD11 . 27442 1 661 . 1 1 62 62 ILE C C 13 176.871 0.3 . . . . . . . 62 ILE C . 27442 1 662 . 1 1 62 62 ILE CA C 13 66.716 0.3 . . . . . . . 62 ILE CA . 27442 1 663 . 1 1 62 62 ILE CB C 13 37.594 0.3 . . . . . . . 62 ILE CB . 27442 1 664 . 1 1 62 62 ILE CG1 C 13 31.175 0.3 . . . . . . . 62 ILE CG1 . 27442 1 665 . 1 1 62 62 ILE CG2 C 13 15.914 0.3 . . . . . . . 62 ILE CG2 . 27442 1 666 . 1 1 62 62 ILE CD1 C 13 13.768 0.3 . . . . . . . 62 ILE CD1 . 27442 1 667 . 1 1 62 62 ILE N N 15 120.941 0.3 . . . . . . . 62 ILE N . 27442 1 668 . 1 1 63 63 VAL H H 1 7.536 0.02 . . . . . . . 63 VAL H . 27442 1 669 . 1 1 63 63 VAL HA H 1 3.168 0.02 . . . . . . . 63 VAL HA . 27442 1 670 . 1 1 63 63 VAL HB H 1 2.167 0.02 . . . . . . . 63 VAL HB . 27442 1 671 . 1 1 63 63 VAL HG11 H 1 0.592 0.02 . . . . . . . 63 VAL HG11 . 27442 1 672 . 1 1 63 63 VAL HG12 H 1 0.592 0.02 . . . . . . . 63 VAL HG11 . 27442 1 673 . 1 1 63 63 VAL HG13 H 1 0.592 0.02 . . . . . . . 63 VAL HG11 . 27442 1 674 . 1 1 63 63 VAL HG21 H 1 1.028 0.02 . . . . . . . 63 VAL HG21 . 27442 1 675 . 1 1 63 63 VAL HG22 H 1 1.028 0.02 . . . . . . . 63 VAL HG21 . 27442 1 676 . 1 1 63 63 VAL HG23 H 1 1.028 0.02 . . . . . . . 63 VAL HG21 . 27442 1 677 . 1 1 63 63 VAL C C 13 176.853 0.3 . . . . . . . 63 VAL C . 27442 1 678 . 1 1 63 63 VAL CA C 13 66.998 0.3 . . . . . . . 63 VAL CA . 27442 1 679 . 1 1 63 63 VAL CB C 13 31.096 0.3 . . . . . . . 63 VAL CB . 27442 1 680 . 1 1 63 63 VAL CG1 C 13 21.628 0.3 . . . . . . . 63 VAL CG1 . 27442 1 681 . 1 1 63 63 VAL CG2 C 13 24.297 0.3 . . . . . . . 63 VAL CG2 . 27442 1 682 . 1 1 63 63 VAL N N 15 117.465 0.3 . . . . . . . 63 VAL N . 27442 1 683 . 1 1 64 64 ASP H H 1 8.172 0.02 . . . . . . . 64 ASP H . 27442 1 684 . 1 1 64 64 ASP HA H 1 3.946 0.02 . . . . . . . 64 ASP HA . 27442 1 685 . 1 1 64 64 ASP HB2 H 1 2.694 0.02 . . . . . . . 64 ASP HB2 . 27442 1 686 . 1 1 64 64 ASP HB3 H 1 2.559 0.02 . . . . . . . 64 ASP HB3 . 27442 1 687 . 1 1 64 64 ASP C C 13 178.484 0.3 . . . . . . . 64 ASP C . 27442 1 688 . 1 1 64 64 ASP CA C 13 57.864 0.3 . . . . . . . 64 ASP CA . 27442 1 689 . 1 1 64 64 ASP CB C 13 41.844 0.3 . . . . . . . 64 ASP CB . 27442 1 690 . 1 1 64 64 ASP N N 15 117.431 0.3 . . . . . . . 64 ASP N . 27442 1 691 . 1 1 65 65 LEU H H 1 8.316 0.02 . . . . . . . 65 LEU H . 27442 1 692 . 1 1 65 65 LEU HA H 1 3.63 0.02 . . . . . . . 65 LEU HA . 27442 1 693 . 1 1 65 65 LEU HB2 H 1 1.71 0.02 . . . . . . . 65 LEU HB2 . 27442 1 694 . 1 1 65 65 LEU HB3 H 1 1.436 0.02 . . . . . . . 65 LEU HB3 . 27442 1 695 . 1 1 65 65 LEU HG H 1 0.731 0.02 . . . . . . . 65 LEU HG . 27442 1 696 . 1 1 65 65 LEU HD11 H 1 0.725 0.02 . . . . . . . 65 LEU HD11 . 27442 1 697 . 1 1 65 65 LEU HD12 H 1 0.725 0.02 . . . . . . . 65 LEU HD11 . 27442 1 698 . 1 1 65 65 LEU HD13 H 1 0.725 0.02 . . . . . . . 65 LEU HD11 . 27442 1 699 . 1 1 65 65 LEU C C 13 177.876 0.3 . . . . . . . 65 LEU C . 27442 1 700 . 1 1 65 65 LEU CA C 13 58.031 0.3 . . . . . . . 65 LEU CA . 27442 1 701 . 1 1 65 65 LEU CB C 13 42.583 0.3 . . . . . . . 65 LEU CB . 27442 1 702 . 1 1 65 65 LEU CG C 13 26.651 0.3 . . . . . . . 65 LEU CG . 27442 1 703 . 1 1 65 65 LEU CD1 C 13 24.638 0.3 . . . . . . . 65 LEU CD1 . 27442 1 704 . 1 1 65 65 LEU N N 15 120.02 0.3 . . . . . . . 65 LEU N . 27442 1 705 . 1 1 66 66 LEU H H 1 7.367 0.02 . . . . . . . 66 LEU H . 27442 1 706 . 1 1 66 66 LEU HA H 1 3.884 0.02 . . . . . . . 66 LEU HA . 27442 1 707 . 1 1 66 66 LEU HB2 H 1 1.254 0.02 . . . . . . . 66 LEU HB2 . 27442 1 708 . 1 1 66 66 LEU HB3 H 1 1.409 0.02 . . . . . . . 66 LEU HB3 . 27442 1 709 . 1 1 66 66 LEU HD11 H 1 0.536 0.02 . . . . . . . 66 LEU HD11 . 27442 1 710 . 1 1 66 66 LEU HD12 H 1 0.536 0.02 . . . . . . . 66 LEU HD11 . 27442 1 711 . 1 1 66 66 LEU HD13 H 1 0.536 0.02 . . . . . . . 66 LEU HD11 . 27442 1 712 . 1 1 66 66 LEU C C 13 179.068 0.3 . . . . . . . 66 LEU C . 27442 1 713 . 1 1 66 66 LEU CA C 13 56.675 0.3 . . . . . . . 66 LEU CA . 27442 1 714 . 1 1 66 66 LEU CB C 13 42.194 0.3 . . . . . . . 66 LEU CB . 27442 1 715 . 1 1 66 66 LEU N N 15 112.998 0.3 . . . . . . . 66 LEU N . 27442 1 716 . 1 1 67 67 ALA H H 1 9.091 0.02 . . . . . . . 67 ALA H . 27442 1 717 . 1 1 67 67 ALA HA H 1 2.443 0.02 . . . . . . . 67 ALA HA . 27442 1 718 . 1 1 67 67 ALA HB1 H 1 0.252 0.02 . . . . . . . 67 ALA HB1 . 27442 1 719 . 1 1 67 67 ALA HB2 H 1 0.252 0.02 . . . . . . . 67 ALA HB1 . 27442 1 720 . 1 1 67 67 ALA HB3 H 1 0.252 0.02 . . . . . . . 67 ALA HB1 . 27442 1 721 . 1 1 67 67 ALA C C 13 181.628 0.3 . . . . . . . 67 ALA C . 27442 1 722 . 1 1 67 67 ALA CA C 13 55.161 0.3 . . . . . . . 67 ALA CA . 27442 1 723 . 1 1 67 67 ALA CB C 13 17.426 0.3 . . . . . . . 67 ALA CB . 27442 1 724 . 1 1 67 67 ALA N N 15 122.58 0.3 . . . . . . . 67 ALA N . 27442 1 725 . 1 1 68 68 SER H H 1 7.396 0.02 . . . . . . . 68 SER H . 27442 1 726 . 1 1 68 68 SER HA H 1 4.107 0.02 . . . . . . . 68 SER HA . 27442 1 727 . 1 1 68 68 SER C C 13 175.103 0.3 . . . . . . . 68 SER C . 27442 1 728 . 1 1 68 68 SER CA C 13 61.567 0.3 . . . . . . . 68 SER CA . 27442 1 729 . 1 1 68 68 SER CB C 13 62.725 0.3 . . . . . . . 68 SER CB . 27442 1 730 . 1 1 68 68 SER N N 15 111.168 0.3 . . . . . . . 68 SER N . 27442 1 731 . 1 1 69 69 ARG H H 1 6.367 0.02 . . . . . . . 69 ARG H . 27442 1 732 . 1 1 69 69 ARG HA H 1 4.364 0.02 . . . . . . . 69 ARG HA . 27442 1 733 . 1 1 69 69 ARG HB2 H 1 2.102 0.02 . . . . . . . 69 ARG HB2 . 27442 1 734 . 1 1 69 69 ARG HB3 H 1 1.237 0.02 . . . . . . . 69 ARG HB3 . 27442 1 735 . 1 1 69 69 ARG HD2 H 1 3.905 0.02 . . . . . . . 69 ARG HD2 . 27442 1 736 . 1 1 69 69 ARG C C 13 174.66 0.3 . . . . . . . 69 ARG C . 27442 1 737 . 1 1 69 69 ARG CA C 13 55.087 0.3 . . . . . . . 69 ARG CA . 27442 1 738 . 1 1 69 69 ARG CB C 13 30.551 0.3 . . . . . . . 69 ARG CB . 27442 1 739 . 1 1 69 69 ARG CD C 13 45.4 0.3 . . . . . . . 69 ARG CD . 27442 1 740 . 1 1 69 69 ARG N N 15 119.248 0.3 . . . . . . . 69 ARG N . 27442 1 741 . 1 1 70 70 ASN H H 1 7.727 0.02 . . . . . . . 70 ASN H . 27442 1 742 . 1 1 70 70 ASN HA H 1 3.815 0.02 . . . . . . . 70 ASN HA . 27442 1 743 . 1 1 70 70 ASN HB2 H 1 3.323 0.02 . . . . . . . 70 ASN HB2 . 27442 1 744 . 1 1 70 70 ASN HB3 H 1 2.928 0.02 . . . . . . . 70 ASN HB3 . 27442 1 745 . 1 1 70 70 ASN HD21 H 1 6.941 0.02 . . . . . . . 70 ASN HD21 . 27442 1 746 . 1 1 70 70 ASN HD22 H 1 7.674 0.02 . . . . . . . 70 ASN HD22 . 27442 1 747 . 1 1 70 70 ASN C C 13 175.068 0.3 . . . . . . . 70 ASN C . 27442 1 748 . 1 1 70 70 ASN CA C 13 54.764 0.3 . . . . . . . 70 ASN CA . 27442 1 749 . 1 1 70 70 ASN CB C 13 37.442 0.3 . . . . . . . 70 ASN CB . 27442 1 750 . 1 1 70 70 ASN N N 15 114.729 0.3 . . . . . . . 70 ASN N . 27442 1 751 . 1 1 70 70 ASN ND2 N 15 114.355 0.3 . . . . . . . 70 ASN ND2 . 27442 1 752 . 1 1 71 71 LYS H H 1 7.812 0.02 . . . . . . . 71 LYS H . 27442 1 753 . 1 1 71 71 LYS HA H 1 4.631 0.02 . . . . . . . 71 LYS HA . 27442 1 754 . 1 1 71 71 LYS HB2 H 1 1.974 0.02 . . . . . . . 71 LYS HB2 . 27442 1 755 . 1 1 71 71 LYS HB3 H 1 1.438 0.02 . . . . . . . 71 LYS HB3 . 27442 1 756 . 1 1 71 71 LYS HG2 H 1 1.266 0.02 . . . . . . . 71 LYS HG2 . 27442 1 757 . 1 1 71 71 LYS HD2 H 1 1.56 0.02 . . . . . . . 71 LYS HD2 . 27442 1 758 . 1 1 71 71 LYS HE2 H 1 3.06 0.02 . . . . . . . 71 LYS HE2 . 27442 1 759 . 1 1 71 71 LYS C C 13 177.189 0.3 . . . . . . . 71 LYS C . 27442 1 760 . 1 1 71 71 LYS CA C 13 54.243 0.3 . . . . . . . 71 LYS CA . 27442 1 761 . 1 1 71 71 LYS CB C 13 29.629 0.3 . . . . . . . 71 LYS CB . 27442 1 762 . 1 1 71 71 LYS CG C 13 24.029 0.3 . . . . . . . 71 LYS CG . 27442 1 763 . 1 1 71 71 LYS CD C 13 29.276 0.3 . . . . . . . 71 LYS CD . 27442 1 764 . 1 1 71 71 LYS CE C 13 42 0.3 . . . . . . . 71 LYS CE . 27442 1 765 . 1 1 71 71 LYS N N 15 120.991 0.3 . . . . . . . 71 LYS N . 27442 1 766 . 1 1 72 72 TRP H H 1 7.048 0.02 . . . . . . . 72 TRP H . 27442 1 767 . 1 1 72 72 TRP HA H 1 3.904 0.02 . . . . . . . 72 TRP HA . 27442 1 768 . 1 1 72 72 TRP HB2 H 1 3.012 0.02 . . . . . . . 72 TRP HB2 . 27442 1 769 . 1 1 72 72 TRP HB3 H 1 2.878 0.02 . . . . . . . 72 TRP HB3 . 27442 1 770 . 1 1 72 72 TRP HD1 H 1 7.209 0.02 . . . . . . . 72 TRP HD1 . 27442 1 771 . 1 1 72 72 TRP HE1 H 1 10.198 0.02 . . . . . . . 72 TRP HE1 . 27442 1 772 . 1 1 72 72 TRP C C 13 177.849 0.3 . . . . . . . 72 TRP C . 27442 1 773 . 1 1 72 72 TRP CA C 13 60.216 0.3 . . . . . . . 72 TRP CA . 27442 1 774 . 1 1 72 72 TRP CB C 13 29.311 0.3 . . . . . . . 72 TRP CB . 27442 1 775 . 1 1 72 72 TRP N N 15 120.098 0.3 . . . . . . . 72 TRP N . 27442 1 776 . 1 1 72 72 TRP NE1 N 15 129.26 0.3 . . . . . . . 72 TRP NE1 . 27442 1 777 . 1 1 73 73 ASP H H 1 8.454 0.02 . . . . . . . 73 ASP H . 27442 1 778 . 1 1 73 73 ASP HA H 1 4.512 0.02 . . . . . . . 73 ASP HA . 27442 1 779 . 1 1 73 73 ASP HB2 H 1 2.686 0.02 . . . . . . . 73 ASP HB2 . 27442 1 780 . 1 1 73 73 ASP C C 13 179.519 0.3 . . . . . . . 73 ASP C . 27442 1 781 . 1 1 73 73 ASP CA C 13 57.733 0.3 . . . . . . . 73 ASP CA . 27442 1 782 . 1 1 73 73 ASP CB C 13 39.75 0.3 . . . . . . . 73 ASP CB . 27442 1 783 . 1 1 73 73 ASP N N 15 118.418 0.3 . . . . . . . 73 ASP N . 27442 1 784 . 1 1 74 74 ASP H H 1 8.067 0.02 . . . . . . . 74 ASP H . 27442 1 785 . 1 1 74 74 ASP HA H 1 4.353 0.02 . . . . . . . 74 ASP HA . 27442 1 786 . 1 1 74 74 ASP HB2 H 1 2.588 0.02 . . . . . . . 74 ASP HB2 . 27442 1 787 . 1 1 74 74 ASP HB3 H 1 2.461 0.02 . . . . . . . 74 ASP HB3 . 27442 1 788 . 1 1 74 74 ASP C C 13 178.179 0.3 . . . . . . . 74 ASP C . 27442 1 789 . 1 1 74 74 ASP CA C 13 57.249 0.3 . . . . . . . 74 ASP CA . 27442 1 790 . 1 1 74 74 ASP CB C 13 40.785 0.3 . . . . . . . 74 ASP CB . 27442 1 791 . 1 1 74 74 ASP N N 15 120.716 0.3 . . . . . . . 74 ASP N . 27442 1 792 . 1 1 75 75 LEU H H 1 8.121 0.02 . . . . . . . 75 LEU H . 27442 1 793 . 1 1 75 75 LEU HA H 1 3.78 0.02 . . . . . . . 75 LEU HA . 27442 1 794 . 1 1 75 75 LEU HB2 H 1 2.05 0.02 . . . . . . . 75 LEU HB2 . 27442 1 795 . 1 1 75 75 LEU HB3 H 1 1.108 0.02 . . . . . . . 75 LEU HB3 . 27442 1 796 . 1 1 75 75 LEU HG H 1 0.852 0.02 . . . . . . . 75 LEU HG . 27442 1 797 . 1 1 75 75 LEU HD11 H 1 0.793 0.02 . . . . . . . 75 LEU HD11 . 27442 1 798 . 1 1 75 75 LEU HD12 H 1 0.793 0.02 . . . . . . . 75 LEU HD11 . 27442 1 799 . 1 1 75 75 LEU HD13 H 1 0.793 0.02 . . . . . . . 75 LEU HD11 . 27442 1 800 . 1 1 75 75 LEU C C 13 177.498 0.3 . . . . . . . 75 LEU C . 27442 1 801 . 1 1 75 75 LEU CA C 13 58.215 0.3 . . . . . . . 75 LEU CA . 27442 1 802 . 1 1 75 75 LEU CB C 13 40.915 0.3 . . . . . . . 75 LEU CB . 27442 1 803 . 1 1 75 75 LEU CG C 13 26.73 0.3 . . . . . . . 75 LEU CG . 27442 1 804 . 1 1 75 75 LEU CD1 C 13 24.073 0.3 . . . . . . . 75 LEU CD1 . 27442 1 805 . 1 1 75 75 LEU N N 15 122.004 0.3 . . . . . . . 75 LEU N . 27442 1 806 . 1 1 76 76 ASN H H 1 8.672 0.02 . . . . . . . 76 ASN H . 27442 1 807 . 1 1 76 76 ASN HA H 1 4.527 0.02 . . . . . . . 76 ASN HA . 27442 1 808 . 1 1 76 76 ASN HB2 H 1 2.996 0.02 . . . . . . . 76 ASN HB2 . 27442 1 809 . 1 1 76 76 ASN HB3 H 1 2.826 0.02 . . . . . . . 76 ASN HB3 . 27442 1 810 . 1 1 76 76 ASN C C 13 178.725 0.3 . . . . . . . 76 ASN C . 27442 1 811 . 1 1 76 76 ASN CA C 13 56.126 0.3 . . . . . . . 76 ASN CA . 27442 1 812 . 1 1 76 76 ASN CB C 13 37.766 0.3 . . . . . . . 76 ASN CB . 27442 1 813 . 1 1 76 76 ASN N N 15 120.121 0.3 . . . . . . . 76 ASN N . 27442 1 814 . 1 1 77 77 GLU H H 1 7.846 0.02 . . . . . . . 77 GLU H . 27442 1 815 . 1 1 77 77 GLU HA H 1 4.04 0.02 . . . . . . . 77 GLU HA . 27442 1 816 . 1 1 77 77 GLU HB2 H 1 2.095 0.02 . . . . . . . 77 GLU HB2 . 27442 1 817 . 1 1 77 77 GLU HB3 H 1 2.202 0.02 . . . . . . . 77 GLU HB3 . 27442 1 818 . 1 1 77 77 GLU HG2 H 1 2.143 0.02 . . . . . . . 77 GLU HG2 . 27442 1 819 . 1 1 77 77 GLU HG3 H 1 2.235 0.02 . . . . . . . 77 GLU HG3 . 27442 1 820 . 1 1 77 77 GLU C C 13 178.69 0.3 . . . . . . . 77 GLU C . 27442 1 821 . 1 1 77 77 GLU CA C 13 59.613 0.3 . . . . . . . 77 GLU CA . 27442 1 822 . 1 1 77 77 GLU CB C 13 29.306 0.3 . . . . . . . 77 GLU CB . 27442 1 823 . 1 1 77 77 GLU CG C 13 36.048 0.3 . . . . . . . 77 GLU CG . 27442 1 824 . 1 1 77 77 GLU N N 15 120.835 0.3 . . . . . . . 77 GLU N . 27442 1 825 . 1 1 78 78 GLN H H 1 8.358 0.02 . . . . . . . 78 GLN H . 27442 1 826 . 1 1 78 78 GLN HA H 1 4.005 0.02 . . . . . . . 78 GLN HA . 27442 1 827 . 1 1 78 78 GLN HB2 H 1 2.12 0.02 . . . . . . . 78 GLN HB2 . 27442 1 828 . 1 1 78 78 GLN HB3 H 1 1.765 0.02 . . . . . . . 78 GLN HB3 . 27442 1 829 . 1 1 78 78 GLN HG2 H 1 2.616 0.02 . . . . . . . 78 GLN HG2 . 27442 1 830 . 1 1 78 78 GLN HG3 H 1 1.85 0.02 . . . . . . . 78 GLN HG3 . 27442 1 831 . 1 1 78 78 GLN C C 13 178.444 0.3 . . . . . . . 78 GLN C . 27442 1 832 . 1 1 78 78 GLN CA C 13 58.146 0.3 . . . . . . . 78 GLN CA . 27442 1 833 . 1 1 78 78 GLN CB C 13 26.986 0.3 . . . . . . . 78 GLN CB . 27442 1 834 . 1 1 78 78 GLN CG C 13 33.14 0.3 . . . . . . . 78 GLN CG . 27442 1 835 . 1 1 78 78 GLN N N 15 116.995 0.3 . . . . . . . 78 GLN N . 27442 1 836 . 1 1 79 79 LEU H H 1 8.823 0.02 . . . . . . . 79 LEU H . 27442 1 837 . 1 1 79 79 LEU HA H 1 3.89 0.02 . . . . . . . 79 LEU HA . 27442 1 838 . 1 1 79 79 LEU HB2 H 1 1.778 0.02 . . . . . . . 79 LEU HB2 . 27442 1 839 . 1 1 79 79 LEU HB3 H 1 1.578 0.02 . . . . . . . 79 LEU HB3 . 27442 1 840 . 1 1 79 79 LEU HG H 1 1.68 0.02 . . . . . . . 79 LEU HG . 27442 1 841 . 1 1 79 79 LEU HD11 H 1 0.934 0.02 . . . . . . . 79 LEU HD11 . 27442 1 842 . 1 1 79 79 LEU HD12 H 1 0.934 0.02 . . . . . . . 79 LEU HD11 . 27442 1 843 . 1 1 79 79 LEU HD13 H 1 0.934 0.02 . . . . . . . 79 LEU HD11 . 27442 1 844 . 1 1 79 79 LEU HD21 H 1 0.816 0.02 . . . . . . . 79 LEU HD21 . 27442 1 845 . 1 1 79 79 LEU HD22 H 1 0.816 0.02 . . . . . . . 79 LEU HD21 . 27442 1 846 . 1 1 79 79 LEU HD23 H 1 0.816 0.02 . . . . . . . 79 LEU HD21 . 27442 1 847 . 1 1 79 79 LEU C C 13 178.73 0.3 . . . . . . . 79 LEU C . 27442 1 848 . 1 1 79 79 LEU CA C 13 59.082 0.3 . . . . . . . 79 LEU CA . 27442 1 849 . 1 1 79 79 LEU CB C 13 42.267 0.3 . . . . . . . 79 LEU CB . 27442 1 850 . 1 1 79 79 LEU CG C 13 27.476 0.3 . . . . . . . 79 LEU CG . 27442 1 851 . 1 1 79 79 LEU CD1 C 13 24.65 0.3 . . . . . . . 79 LEU CD1 . 27442 1 852 . 1 1 79 79 LEU CD2 C 13 24.919 0.3 . . . . . . . 79 LEU CD2 . 27442 1 853 . 1 1 79 79 LEU N N 15 120.091 0.3 . . . . . . . 79 LEU N . 27442 1 854 . 1 1 80 80 THR H H 1 7.576 0.02 . . . . . . . 80 THR H . 27442 1 855 . 1 1 80 80 THR HA H 1 3.61 0.02 . . . . . . . 80 THR HA . 27442 1 856 . 1 1 80 80 THR HB H 1 4.305 0.02 . . . . . . . 80 THR HB . 27442 1 857 . 1 1 80 80 THR HG21 H 1 1.129 0.02 . . . . . . . 80 THR HG21 . 27442 1 858 . 1 1 80 80 THR HG22 H 1 1.129 0.02 . . . . . . . 80 THR HG21 . 27442 1 859 . 1 1 80 80 THR HG23 H 1 1.129 0.02 . . . . . . . 80 THR HG21 . 27442 1 860 . 1 1 80 80 THR C C 13 176.916 0.3 . . . . . . . 80 THR C . 27442 1 861 . 1 1 80 80 THR CA C 13 67.091 0.3 . . . . . . . 80 THR CA . 27442 1 862 . 1 1 80 80 THR CB C 13 68.519 0.3 . . . . . . . 80 THR CB . 27442 1 863 . 1 1 80 80 THR CG2 C 13 21.252 0.3 . . . . . . . 80 THR CG2 . 27442 1 864 . 1 1 80 80 THR N N 15 113.707 0.3 . . . . . . . 80 THR N . 27442 1 865 . 1 1 81 81 LEU H H 1 8.657 0.02 . . . . . . . 81 LEU H . 27442 1 866 . 1 1 81 81 LEU HA H 1 3.909 0.02 . . . . . . . 81 LEU HA . 27442 1 867 . 1 1 81 81 LEU HB2 H 1 1.768 0.02 . . . . . . . 81 LEU HB2 . 27442 1 868 . 1 1 81 81 LEU HB3 H 1 1.333 0.02 . . . . . . . 81 LEU HB3 . 27442 1 869 . 1 1 81 81 LEU HG H 1 1.802 0.02 . . . . . . . 81 LEU HG . 27442 1 870 . 1 1 81 81 LEU HD11 H 1 0.78 0.02 . . . . . . . 81 LEU HD11 . 27442 1 871 . 1 1 81 81 LEU HD12 H 1 0.78 0.02 . . . . . . . 81 LEU HD11 . 27442 1 872 . 1 1 81 81 LEU HD13 H 1 0.78 0.02 . . . . . . . 81 LEU HD11 . 27442 1 873 . 1 1 81 81 LEU HD21 H 1 0.799 0.02 . . . . . . . 81 LEU HD21 . 27442 1 874 . 1 1 81 81 LEU HD22 H 1 0.799 0.02 . . . . . . . 81 LEU HD21 . 27442 1 875 . 1 1 81 81 LEU HD23 H 1 0.799 0.02 . . . . . . . 81 LEU HD21 . 27442 1 876 . 1 1 81 81 LEU C C 13 181.739 0.3 . . . . . . . 81 LEU C . 27442 1 877 . 1 1 81 81 LEU CA C 13 58.128 0.3 . . . . . . . 81 LEU CA . 27442 1 878 . 1 1 81 81 LEU CB C 13 42.614 0.3 . . . . . . . 81 LEU CB . 27442 1 879 . 1 1 81 81 LEU CG C 13 26.257 0.3 . . . . . . . 81 LEU CG . 27442 1 880 . 1 1 81 81 LEU CD1 C 13 25.812 0.3 . . . . . . . 81 LEU CD1 . 27442 1 881 . 1 1 81 81 LEU CD2 C 13 22.439 0.3 . . . . . . . 81 LEU CD2 . 27442 1 882 . 1 1 81 81 LEU N N 15 121.017 0.3 . . . . . . . 81 LEU N . 27442 1 883 . 1 1 82 82 LEU H H 1 9.385 0.02 . . . . . . . 82 LEU H . 27442 1 884 . 1 1 82 82 LEU HA H 1 4.03 0.02 . . . . . . . 82 LEU HA . 27442 1 885 . 1 1 82 82 LEU HB2 H 1 1.888 0.02 . . . . . . . 82 LEU HB2 . 27442 1 886 . 1 1 82 82 LEU HB3 H 1 0.89 0.02 . . . . . . . 82 LEU HB3 . 27442 1 887 . 1 1 82 82 LEU HG H 1 2.01 0.02 . . . . . . . 82 LEU HG . 27442 1 888 . 1 1 82 82 LEU C C 13 181.077 0.3 . . . . . . . 82 LEU C . 27442 1 889 . 1 1 82 82 LEU CA C 13 57.733 0.3 . . . . . . . 82 LEU CA . 27442 1 890 . 1 1 82 82 LEU CB C 13 40.836 0.3 . . . . . . . 82 LEU CB . 27442 1 891 . 1 1 82 82 LEU CG C 13 30.266 0.3 . . . . . . . 82 LEU CG . 27442 1 892 . 1 1 82 82 LEU N N 15 118.311 0.3 . . . . . . . 82 LEU N . 27442 1 893 . 1 1 83 83 SER H H 1 7.786 0.02 . . . . . . . 83 SER H . 27442 1 894 . 1 1 83 83 SER HA H 1 4.008 0.02 . . . . . . . 83 SER HA . 27442 1 895 . 1 1 83 83 SER HB2 H 1 3.959 0.02 . . . . . . . 83 SER HB2 . 27442 1 896 . 1 1 83 83 SER C C 13 174.337 0.3 . . . . . . . 83 SER C . 27442 1 897 . 1 1 83 83 SER CA C 13 61.767 0.3 . . . . . . . 83 SER CA . 27442 1 898 . 1 1 83 83 SER CB C 13 62.934 0.3 . . . . . . . 83 SER CB . 27442 1 899 . 1 1 83 83 SER N N 15 114.055 0.3 . . . . . . . 83 SER N . 27442 1 900 . 1 1 84 84 LYS H H 1 6.881 0.02 . . . . . . . 84 LYS H . 27442 1 901 . 1 1 84 84 LYS HA H 1 4.428 0.02 . . . . . . . 84 LYS HA . 27442 1 902 . 1 1 84 84 LYS HB2 H 1 2.05 0.02 . . . . . . . 84 LYS HB2 . 27442 1 903 . 1 1 84 84 LYS HB3 H 1 1.657 0.02 . . . . . . . 84 LYS HB3 . 27442 1 904 . 1 1 84 84 LYS HG2 H 1 1.426 0.02 . . . . . . . 84 LYS HG2 . 27442 1 905 . 1 1 84 84 LYS HG3 H 1 1.626 0.02 . . . . . . . 84 LYS HG3 . 27442 1 906 . 1 1 84 84 LYS HD2 H 1 1.641 0.02 . . . . . . . 84 LYS HD2 . 27442 1 907 . 1 1 84 84 LYS HE2 H 1 2.935 0.02 . . . . . . . 84 LYS HE2 . 27442 1 908 . 1 1 84 84 LYS C C 13 176.658 0.3 . . . . . . . 84 LYS C . 27442 1 909 . 1 1 84 84 LYS CA C 13 55.886 0.3 . . . . . . . 84 LYS CA . 27442 1 910 . 1 1 84 84 LYS CB C 13 33.622 0.3 . . . . . . . 84 LYS CB . 27442 1 911 . 1 1 84 84 LYS CG C 13 25.025 0.3 . . . . . . . 84 LYS CG . 27442 1 912 . 1 1 84 84 LYS CD C 13 29.319 0.3 . . . . . . . 84 LYS CD . 27442 1 913 . 1 1 84 84 LYS CE C 13 42.165 0.3 . . . . . . . 84 LYS CE . 27442 1 914 . 1 1 84 84 LYS N N 15 118.235 0.3 . . . . . . . 84 LYS N . 27442 1 915 . 1 1 85 85 LYS H H 1 6.88 0.02 . . . . . . . 85 LYS H . 27442 1 916 . 1 1 85 85 LYS HA H 1 4.181 0.02 . . . . . . . 85 LYS HA . 27442 1 917 . 1 1 85 85 LYS HB2 H 1 1.789 0.02 . . . . . . . 85 LYS HB2 . 27442 1 918 . 1 1 85 85 LYS HB3 H 1 1.586 0.02 . . . . . . . 85 LYS HB3 . 27442 1 919 . 1 1 85 85 LYS C C 13 177.701 0.3 . . . . . . . 85 LYS C . 27442 1 920 . 1 1 85 85 LYS CA C 13 54.98 0.3 . . . . . . . 85 LYS CA . 27442 1 921 . 1 1 85 85 LYS CB C 13 33.836 0.3 . . . . . . . 85 LYS CB . 27442 1 922 . 1 1 85 85 LYS N N 15 118.235 0.3 . . . . . . . 85 LYS N . 27442 1 923 . 1 1 86 86 HIS H H 1 9.445 0.02 . . . . . . . 86 HIS H . 27442 1 924 . 1 1 86 86 HIS HA H 1 4.384 0.02 . . . . . . . 86 HIS HA . 27442 1 925 . 1 1 86 86 HIS HB2 H 1 3.234 0.02 . . . . . . . 86 HIS HB2 . 27442 1 926 . 1 1 86 86 HIS HB3 H 1 3.163 0.02 . . . . . . . 86 HIS HB3 . 27442 1 927 . 1 1 86 86 HIS C C 13 176.976 0.3 . . . . . . . 86 HIS C . 27442 1 928 . 1 1 86 86 HIS CA C 13 57.548 0.3 . . . . . . . 86 HIS CA . 27442 1 929 . 1 1 86 86 HIS CB C 13 28.703 0.3 . . . . . . . 86 HIS CB . 27442 1 930 . 1 1 86 86 HIS N N 15 123.188 0.3 . . . . . . . 86 HIS N . 27442 1 931 . 1 1 87 87 GLY H H 1 9.11 0.02 . . . . . . . 87 GLY H . 27442 1 932 . 1 1 87 87 GLY HA2 H 1 3.843 0.02 . . . . . . . 87 GLY HA2 . 27442 1 933 . 1 1 87 87 GLY HA3 H 1 3.586 0.02 . . . . . . . 87 GLY HA3 . 27442 1 934 . 1 1 87 87 GLY C C 13 174.088 0.3 . . . . . . . 87 GLY C . 27442 1 935 . 1 1 87 87 GLY CA C 13 45.252 0.3 . . . . . . . 87 GLY CA . 27442 1 936 . 1 1 87 87 GLY N N 15 115.322 0.3 . . . . . . . 87 GLY N . 27442 1 937 . 1 1 88 88 GLN H H 1 7.25 0.02 . . . . . . . 88 GLN H . 27442 1 938 . 1 1 88 88 GLN HA H 1 3.932 0.02 . . . . . . . 88 GLN HA . 27442 1 939 . 1 1 88 88 GLN HB2 H 1 1.995 0.02 . . . . . . . 88 GLN HB2 . 27442 1 940 . 1 1 88 88 GLN C C 13 175.054 0.3 . . . . . . . 88 GLN C . 27442 1 941 . 1 1 88 88 GLN CA C 13 55.558 0.3 . . . . . . . 88 GLN CA . 27442 1 942 . 1 1 88 88 GLN CB C 13 30.355 0.3 . . . . . . . 88 GLN CB . 27442 1 943 . 1 1 88 88 GLN CG C 13 36.202 0.3 . . . . . . . 88 GLN CG . 27442 1 944 . 1 1 88 88 GLN N N 15 117.502 0.3 . . . . . . . 88 GLN N . 27442 1 945 . 1 1 89 89 LEU H H 1 9.124 0.02 . . . . . . . 89 LEU H . 27442 1 946 . 1 1 89 89 LEU HA H 1 4.457 0.02 . . . . . . . 89 LEU HA . 27442 1 947 . 1 1 89 89 LEU HB2 H 1 2.015 0.02 . . . . . . . 89 LEU HB2 . 27442 1 948 . 1 1 89 89 LEU HB3 H 1 1.536 0.02 . . . . . . . 89 LEU HB3 . 27442 1 949 . 1 1 89 89 LEU HG H 1 1.871 0.02 . . . . . . . 89 LEU HG . 27442 1 950 . 1 1 89 89 LEU HD11 H 1 0.976 0.02 . . . . . . . 89 LEU HD11 . 27442 1 951 . 1 1 89 89 LEU HD12 H 1 0.976 0.02 . . . . . . . 89 LEU HD11 . 27442 1 952 . 1 1 89 89 LEU HD13 H 1 0.976 0.02 . . . . . . . 89 LEU HD11 . 27442 1 953 . 1 1 89 89 LEU HD21 H 1 0.943 0.02 . . . . . . . 89 LEU HD21 . 27442 1 954 . 1 1 89 89 LEU HD22 H 1 0.943 0.02 . . . . . . . 89 LEU HD21 . 27442 1 955 . 1 1 89 89 LEU HD23 H 1 0.943 0.02 . . . . . . . 89 LEU HD21 . 27442 1 956 . 1 1 89 89 LEU C C 13 177.607 0.3 . . . . . . . 89 LEU C . 27442 1 957 . 1 1 89 89 LEU CA C 13 54.255 0.3 . . . . . . . 89 LEU CA . 27442 1 958 . 1 1 89 89 LEU CB C 13 41.163 0.3 . . . . . . . 89 LEU CB . 27442 1 959 . 1 1 89 89 LEU CG C 13 27.25 0.3 . . . . . . . 89 LEU CG . 27442 1 960 . 1 1 89 89 LEU CD1 C 13 25.794 0.3 . . . . . . . 89 LEU CD1 . 27442 1 961 . 1 1 89 89 LEU CD2 C 13 24.004 0.3 . . . . . . . 89 LEU CD2 . 27442 1 962 . 1 1 89 89 LEU N N 15 129.983 0.3 . . . . . . . 89 LEU N . 27442 1 963 . 1 1 90 90 LYS H H 1 8.859 0.02 . . . . . . . 90 LYS H . 27442 1 964 . 1 1 90 90 LYS HA H 1 3.718 0.02 . . . . . . . 90 LYS HA . 27442 1 965 . 1 1 90 90 LYS HB2 H 1 1.831 0.02 . . . . . . . 90 LYS HB2 . 27442 1 966 . 1 1 90 90 LYS HB3 H 1 1.747 0.02 . . . . . . . 90 LYS HB3 . 27442 1 967 . 1 1 90 90 LYS HG2 H 1 1.398 0.02 . . . . . . . 90 LYS HG2 . 27442 1 968 . 1 1 90 90 LYS HG3 H 1 1.283 0.02 . . . . . . . 90 LYS HG3 . 27442 1 969 . 1 1 90 90 LYS HD2 H 1 1.642 0.02 . . . . . . . 90 LYS HD2 . 27442 1 970 . 1 1 90 90 LYS HD3 H 1 1.554 0.02 . . . . . . . 90 LYS HD3 . 27442 1 971 . 1 1 90 90 LYS HE2 H 1 2.903 0.02 . . . . . . . 90 LYS HE2 . 27442 1 972 . 1 1 90 90 LYS C C 13 179.008 0.3 . . . . . . . 90 LYS C . 27442 1 973 . 1 1 90 90 LYS CA C 13 60.322 0.3 . . . . . . . 90 LYS CA . 27442 1 974 . 1 1 90 90 LYS CB C 13 32.122 0.3 . . . . . . . 90 LYS CB . 27442 1 975 . 1 1 90 90 LYS CG C 13 25.119 0.3 . . . . . . . 90 LYS CG . 27442 1 976 . 1 1 90 90 LYS CD C 13 29.266 0.3 . . . . . . . 90 LYS CD . 27442 1 977 . 1 1 90 90 LYS CE C 13 42.159 0.3 . . . . . . . 90 LYS CE . 27442 1 978 . 1 1 90 90 LYS N N 15 128.061 0.3 . . . . . . . 90 LYS N . 27442 1 979 . 1 1 91 91 LEU H H 1 8.768 0.02 . . . . . . . 91 LEU H . 27442 1 980 . 1 1 91 91 LEU HA H 1 4.092 0.02 . . . . . . . 91 LEU HA . 27442 1 981 . 1 1 91 91 LEU HB2 H 1 1.738 0.02 . . . . . . . 91 LEU HB2 . 27442 1 982 . 1 1 91 91 LEU HB3 H 1 1.48 0.02 . . . . . . . 91 LEU HB3 . 27442 1 983 . 1 1 91 91 LEU HG H 1 1.738 0.02 . . . . . . . 91 LEU HG . 27442 1 984 . 1 1 91 91 LEU HD11 H 1 0.887 0.02 . . . . . . . 91 LEU HD11 . 27442 1 985 . 1 1 91 91 LEU HD12 H 1 0.887 0.02 . . . . . . . 91 LEU HD11 . 27442 1 986 . 1 1 91 91 LEU HD13 H 1 0.887 0.02 . . . . . . . 91 LEU HD11 . 27442 1 987 . 1 1 91 91 LEU HD21 H 1 0.939 0.02 . . . . . . . 91 LEU HD21 . 27442 1 988 . 1 1 91 91 LEU HD22 H 1 0.939 0.02 . . . . . . . 91 LEU HD21 . 27442 1 989 . 1 1 91 91 LEU HD23 H 1 0.939 0.02 . . . . . . . 91 LEU HD21 . 27442 1 990 . 1 1 91 91 LEU C C 13 179.995 0.3 . . . . . . . 91 LEU C . 27442 1 991 . 1 1 91 91 LEU CA C 13 57.649 0.3 . . . . . . . 91 LEU CA . 27442 1 992 . 1 1 91 91 LEU CB C 13 41.936 0.3 . . . . . . . 91 LEU CB . 27442 1 993 . 1 1 91 91 LEU CG C 13 27.966 0.3 . . . . . . . 91 LEU CG . 27442 1 994 . 1 1 91 91 LEU CD1 C 13 22.851 0.3 . . . . . . . 91 LEU CD1 . 27442 1 995 . 1 1 91 91 LEU CD2 C 13 25.123 0.3 . . . . . . . 91 LEU CD2 . 27442 1 996 . 1 1 91 91 LEU N N 15 115.881 0.3 . . . . . . . 91 LEU N . 27442 1 997 . 1 1 92 92 SER H H 1 7.215 0.02 . . . . . . . 92 SER H . 27442 1 998 . 1 1 92 92 SER HA H 1 4.197 0.02 . . . . . . . 92 SER HA . 27442 1 999 . 1 1 92 92 SER HB2 H 1 3.858 0.02 . . . . . . . 92 SER HB2 . 27442 1 1000 . 1 1 92 92 SER C C 13 176.413 0.3 . . . . . . . 92 SER C . 27442 1 1001 . 1 1 92 92 SER CA C 13 61.624 0.3 . . . . . . . 92 SER CA . 27442 1 1002 . 1 1 92 92 SER CB C 13 62.638 0.3 . . . . . . . 92 SER CB . 27442 1 1003 . 1 1 92 92 SER N N 15 116.912 0.3 . . . . . . . 92 SER N . 27442 1 1004 . 1 1 93 93 ILE H H 1 7.278 0.02 . . . . . . . 93 ILE H . 27442 1 1005 . 1 1 93 93 ILE HA H 1 3.687 0.02 . . . . . . . 93 ILE HA . 27442 1 1006 . 1 1 93 93 ILE HB H 1 2.05 0.02 . . . . . . . 93 ILE HB . 27442 1 1007 . 1 1 93 93 ILE HG12 H 1 1.357 0.02 . . . . . . . 93 ILE HG12 . 27442 1 1008 . 1 1 93 93 ILE HG13 H 1 1.294 0.02 . . . . . . . 93 ILE HG13 . 27442 1 1009 . 1 1 93 93 ILE HG21 H 1 0.77 0.02 . . . . . . . 93 ILE HG21 . 27442 1 1010 . 1 1 93 93 ILE HG22 H 1 0.77 0.02 . . . . . . . 93 ILE HG21 . 27442 1 1011 . 1 1 93 93 ILE HG23 H 1 0.77 0.02 . . . . . . . 93 ILE HG21 . 27442 1 1012 . 1 1 93 93 ILE HD11 H 1 0.547 0.02 . . . . . . . 93 ILE HD11 . 27442 1 1013 . 1 1 93 93 ILE HD12 H 1 0.547 0.02 . . . . . . . 93 ILE HD11 . 27442 1 1014 . 1 1 93 93 ILE HD13 H 1 0.547 0.02 . . . . . . . 93 ILE HD11 . 27442 1 1015 . 1 1 93 93 ILE C C 13 177.987 0.3 . . . . . . . 93 ILE C . 27442 1 1016 . 1 1 93 93 ILE CA C 13 61.735 0.3 . . . . . . . 93 ILE CA . 27442 1 1017 . 1 1 93 93 ILE CB C 13 35.6 0.3 . . . . . . . 93 ILE CB . 27442 1 1018 . 1 1 93 93 ILE CG1 C 13 27.825 0.3 . . . . . . . 93 ILE CG1 . 27442 1 1019 . 1 1 93 93 ILE CG2 C 13 16.988 0.3 . . . . . . . 93 ILE CG2 . 27442 1 1020 . 1 1 93 93 ILE CD1 C 13 8.83 0.3 . . . . . . . 93 ILE CD1 . 27442 1 1021 . 1 1 93 93 ILE N N 15 121.101 0.3 . . . . . . . 93 ILE N . 27442 1 1022 . 1 1 94 94 GLN H H 1 8.345 0.02 . . . . . . . 94 GLN H . 27442 1 1023 . 1 1 94 94 GLN HA H 1 3.84 0.02 . . . . . . . 94 GLN HA . 27442 1 1024 . 1 1 94 94 GLN HB2 H 1 2.113 0.02 . . . . . . . 94 GLN HB2 . 27442 1 1025 . 1 1 94 94 GLN HG2 H 1 2.462 0.02 . . . . . . . 94 GLN HG2 . 27442 1 1026 . 1 1 94 94 GLN HG3 H 1 2.296 0.02 . . . . . . . 94 GLN HG3 . 27442 1 1027 . 1 1 94 94 GLN HE21 H 1 6.734 0.02 . . . . . . . 94 GLN HE21 . 27442 1 1028 . 1 1 94 94 GLN HE22 H 1 7.384 0.02 . . . . . . . 94 GLN HE22 . 27442 1 1029 . 1 1 94 94 GLN C C 13 178.097 0.3 . . . . . . . 94 GLN C . 27442 1 1030 . 1 1 94 94 GLN CA C 13 59.896 0.3 . . . . . . . 94 GLN CA . 27442 1 1031 . 1 1 94 94 GLN CB C 13 28.613 0.3 . . . . . . . 94 GLN CB . 27442 1 1032 . 1 1 94 94 GLN CG C 13 34.389 0.3 . . . . . . . 94 GLN CG . 27442 1 1033 . 1 1 94 94 GLN N N 15 118.48 0.3 . . . . . . . 94 GLN N . 27442 1 1034 . 1 1 94 94 GLN NE2 N 15 110.442 0.3 . . . . . . . 94 GLN NE2 . 27442 1 1035 . 1 1 95 95 TYR H H 1 7.58 0.02 . . . . . . . 95 TYR H . 27442 1 1036 . 1 1 95 95 TYR HA H 1 4.363 0.02 . . . . . . . 95 TYR HA . 27442 1 1037 . 1 1 95 95 TYR HB2 H 1 3.276 0.02 . . . . . . . 95 TYR HB2 . 27442 1 1038 . 1 1 95 95 TYR HB3 H 1 3.217 0.02 . . . . . . . 95 TYR HB3 . 27442 1 1039 . 1 1 95 95 TYR C C 13 176.81 0.3 . . . . . . . 95 TYR C . 27442 1 1040 . 1 1 95 95 TYR CA C 13 61.222 0.3 . . . . . . . 95 TYR CA . 27442 1 1041 . 1 1 95 95 TYR CB C 13 38.95 0.3 . . . . . . . 95 TYR CB . 27442 1 1042 . 1 1 95 95 TYR N N 15 120.915 0.3 . . . . . . . 95 TYR N . 27442 1 1043 . 1 1 96 96 MET H H 1 8.503 0.02 . . . . . . . 96 MET H . 27442 1 1044 . 1 1 96 96 MET HA H 1 3.482 0.02 . . . . . . . 96 MET HA . 27442 1 1045 . 1 1 96 96 MET HB2 H 1 2.256 0.02 . . . . . . . 96 MET HB2 . 27442 1 1046 . 1 1 96 96 MET HB3 H 1 2.075 0.02 . . . . . . . 96 MET HB3 . 27442 1 1047 . 1 1 96 96 MET C C 13 178.032 0.3 . . . . . . . 96 MET C . 27442 1 1048 . 1 1 96 96 MET CA C 13 60.742 0.3 . . . . . . . 96 MET CA . 27442 1 1049 . 1 1 96 96 MET CB C 13 32.294 0.3 . . . . . . . 96 MET CB . 27442 1 1050 . 1 1 96 96 MET N N 15 119.88 0.3 . . . . . . . 96 MET N . 27442 1 1051 . 1 1 97 97 ILE H H 1 8.43 0.02 . . . . . . . 97 ILE H . 27442 1 1052 . 1 1 97 97 ILE HA H 1 3.366 0.02 . . . . . . . 97 ILE HA . 27442 1 1053 . 1 1 97 97 ILE HB H 1 1.956 0.02 . . . . . . . 97 ILE HB . 27442 1 1054 . 1 1 97 97 ILE HG12 H 1 1.783 0.02 . . . . . . . 97 ILE HG12 . 27442 1 1055 . 1 1 97 97 ILE HG21 H 1 0.844 0.02 . . . . . . . 97 ILE HG21 . 27442 1 1056 . 1 1 97 97 ILE HG22 H 1 0.844 0.02 . . . . . . . 97 ILE HG21 . 27442 1 1057 . 1 1 97 97 ILE HG23 H 1 0.844 0.02 . . . . . . . 97 ILE HG21 . 27442 1 1058 . 1 1 97 97 ILE HD11 H 1 0.742 0.02 . . . . . . . 97 ILE HD11 . 27442 1 1059 . 1 1 97 97 ILE HD12 H 1 0.742 0.02 . . . . . . . 97 ILE HD11 . 27442 1 1060 . 1 1 97 97 ILE HD13 H 1 0.742 0.02 . . . . . . . 97 ILE HD11 . 27442 1 1061 . 1 1 97 97 ILE C C 13 177.347 0.3 . . . . . . . 97 ILE C . 27442 1 1062 . 1 1 97 97 ILE CA C 13 65.948 0.3 . . . . . . . 97 ILE CA . 27442 1 1063 . 1 1 97 97 ILE CB C 13 37.754 0.3 . . . . . . . 97 ILE CB . 27442 1 1064 . 1 1 97 97 ILE CG1 C 13 30.458 0.3 . . . . . . . 97 ILE CG1 . 27442 1 1065 . 1 1 97 97 ILE CG2 C 13 18.05 0.3 . . . . . . . 97 ILE CG2 . 27442 1 1066 . 1 1 97 97 ILE CD1 C 13 13.941 0.3 . . . . . . . 97 ILE CD1 . 27442 1 1067 . 1 1 97 97 ILE N N 15 117.679 0.3 . . . . . . . 97 ILE N . 27442 1 1068 . 1 1 98 98 GLN H H 1 7.966 0.02 . . . . . . . 98 GLN H . 27442 1 1069 . 1 1 98 98 GLN HA H 1 3.926 0.02 . . . . . . . 98 GLN HA . 27442 1 1070 . 1 1 98 98 GLN HB2 H 1 2.126 0.02 . . . . . . . 98 GLN HB2 . 27442 1 1071 . 1 1 98 98 GLN HB3 H 1 2.268 0.02 . . . . . . . 98 GLN HB3 . 27442 1 1072 . 1 1 98 98 GLN HG2 H 1 2.474 0.02 . . . . . . . 98 GLN HG2 . 27442 1 1073 . 1 1 98 98 GLN HG3 H 1 2.284 0.02 . . . . . . . 98 GLN HG3 . 27442 1 1074 . 1 1 98 98 GLN HE21 H 1 6.82 0.02 . . . . . . . 98 GLN HE21 . 27442 1 1075 . 1 1 98 98 GLN HE22 H 1 7.521 0.02 . . . . . . . 98 GLN HE22 . 27442 1 1076 . 1 1 98 98 GLN C C 13 179.34 0.3 . . . . . . . 98 GLN C . 27442 1 1077 . 1 1 98 98 GLN CA C 13 59.616 0.3 . . . . . . . 98 GLN CA . 27442 1 1078 . 1 1 98 98 GLN CB C 13 27.989 0.3 . . . . . . . 98 GLN CB . 27442 1 1079 . 1 1 98 98 GLN CG C 13 33.832 0.3 . . . . . . . 98 GLN CG . 27442 1 1080 . 1 1 98 98 GLN N N 15 120.429 0.3 . . . . . . . 98 GLN N . 27442 1 1081 . 1 1 98 98 GLN NE2 N 15 111.232 0.3 . . . . . . . 98 GLN NE2 . 27442 1 1082 . 1 1 99 99 LYS H H 1 8 0.02 . . . . . . . 99 LYS H . 27442 1 1083 . 1 1 99 99 LYS HA H 1 4.039 0.02 . . . . . . . 99 LYS HA . 27442 1 1084 . 1 1 99 99 LYS HB2 H 1 1.787 0.02 . . . . . . . 99 LYS HB2 . 27442 1 1085 . 1 1 99 99 LYS HB3 H 1 1.998 0.02 . . . . . . . 99 LYS HB3 . 27442 1 1086 . 1 1 99 99 LYS HG2 H 1 1.148 0.02 . . . . . . . 99 LYS HG2 . 27442 1 1087 . 1 1 99 99 LYS HG3 H 1 1.05 0.02 . . . . . . . 99 LYS HG3 . 27442 1 1088 . 1 1 99 99 LYS HD2 H 1 1.5 0.02 . . . . . . . 99 LYS HD2 . 27442 1 1089 . 1 1 99 99 LYS HD3 H 1 1.563 0.02 . . . . . . . 99 LYS HD3 . 27442 1 1090 . 1 1 99 99 LYS HE2 H 1 2.779 0.02 . . . . . . . 99 LYS HE2 . 27442 1 1091 . 1 1 99 99 LYS HE3 H 1 2.644 0.02 . . . . . . . 99 LYS HE3 . 27442 1 1092 . 1 1 99 99 LYS C C 13 179.23 0.3 . . . . . . . 99 LYS C . 27442 1 1093 . 1 1 99 99 LYS CA C 13 57.439 0.3 . . . . . . . 99 LYS CA . 27442 1 1094 . 1 1 99 99 LYS CB C 13 30.314 0.3 . . . . . . . 99 LYS CB . 27442 1 1095 . 1 1 99 99 LYS CG C 13 23.64 0.3 . . . . . . . 99 LYS CG . 27442 1 1096 . 1 1 99 99 LYS CD C 13 26.641 0.3 . . . . . . . 99 LYS CD . 27442 1 1097 . 1 1 99 99 LYS CE C 13 41.928 0.3 . . . . . . . 99 LYS CE . 27442 1 1098 . 1 1 99 99 LYS N N 15 118.495 0.3 . . . . . . . 99 LYS N . 27442 1 1099 . 1 1 100 100 VAL H H 1 8.527 0.02 . . . . . . . 100 VAL H . 27442 1 1100 . 1 1 100 100 VAL HA H 1 3.497 0.02 . . . . . . . 100 VAL HA . 27442 1 1101 . 1 1 100 100 VAL HB H 1 2.412 0.02 . . . . . . . 100 VAL HB . 27442 1 1102 . 1 1 100 100 VAL HG11 H 1 1.026 0.02 . . . . . . . 100 VAL HG11 . 27442 1 1103 . 1 1 100 100 VAL HG12 H 1 1.026 0.02 . . . . . . . 100 VAL HG11 . 27442 1 1104 . 1 1 100 100 VAL HG13 H 1 1.026 0.02 . . . . . . . 100 VAL HG11 . 27442 1 1105 . 1 1 100 100 VAL HG21 H 1 1.174 0.02 . . . . . . . 100 VAL HG21 . 27442 1 1106 . 1 1 100 100 VAL HG22 H 1 1.174 0.02 . . . . . . . 100 VAL HG21 . 27442 1 1107 . 1 1 100 100 VAL HG23 H 1 1.174 0.02 . . . . . . . 100 VAL HG21 . 27442 1 1108 . 1 1 100 100 VAL C C 13 178.196 0.3 . . . . . . . 100 VAL C . 27442 1 1109 . 1 1 100 100 VAL CA C 13 67.995 0.3 . . . . . . . 100 VAL CA . 27442 1 1110 . 1 1 100 100 VAL CB C 13 31.47 0.3 . . . . . . . 100 VAL CB . 27442 1 1111 . 1 1 100 100 VAL CG1 C 13 22.792 0.3 . . . . . . . 100 VAL CG1 . 27442 1 1112 . 1 1 100 100 VAL CG2 C 13 24.482 0.3 . . . . . . . 100 VAL CG2 . 27442 1 1113 . 1 1 100 100 VAL N N 15 121.176 0.3 . . . . . . . 100 VAL N . 27442 1 1114 . 1 1 101 101 MET H H 1 8.511 0.02 . . . . . . . 101 MET H . 27442 1 1115 . 1 1 101 101 MET HA H 1 4.164 0.02 . . . . . . . 101 MET HA . 27442 1 1116 . 1 1 101 101 MET HB2 H 1 2.264 0.02 . . . . . . . 101 MET HB2 . 27442 1 1117 . 1 1 101 101 MET HB3 H 1 2.031 0.02 . . . . . . . 101 MET HB3 . 27442 1 1118 . 1 1 101 101 MET HG2 H 1 2.503 0.02 . . . . . . . 101 MET HG2 . 27442 1 1119 . 1 1 101 101 MET HG3 H 1 2.744 0.02 . . . . . . . 101 MET HG3 . 27442 1 1120 . 1 1 101 101 MET C C 13 178.98 0.3 . . . . . . . 101 MET C . 27442 1 1121 . 1 1 101 101 MET CA C 13 58.159 0.3 . . . . . . . 101 MET CA . 27442 1 1122 . 1 1 101 101 MET CB C 13 30.864 0.3 . . . . . . . 101 MET CB . 27442 1 1123 . 1 1 101 101 MET CG C 13 32.403 0.3 . . . . . . . 101 MET CG . 27442 1 1124 . 1 1 101 101 MET N N 15 116.772 0.3 . . . . . . . 101 MET N . 27442 1 1125 . 1 1 102 102 GLU H H 1 7.998 0.02 . . . . . . . 102 GLU H . 27442 1 1126 . 1 1 102 102 GLU HA H 1 3.937 0.02 . . . . . . . 102 GLU HA . 27442 1 1127 . 1 1 102 102 GLU HB2 H 1 2.206 0.02 . . . . . . . 102 GLU HB2 . 27442 1 1128 . 1 1 102 102 GLU HB3 H 1 2 0.02 . . . . . . . 102 GLU HB3 . 27442 1 1129 . 1 1 102 102 GLU HG2 H 1 2.129 0.02 . . . . . . . 102 GLU HG2 . 27442 1 1130 . 1 1 102 102 GLU HG3 H 1 2.455 0.02 . . . . . . . 102 GLU HG3 . 27442 1 1131 . 1 1 102 102 GLU C C 13 179.948 0.3 . . . . . . . 102 GLU C . 27442 1 1132 . 1 1 102 102 GLU CA C 13 59.686 0.3 . . . . . . . 102 GLU CA . 27442 1 1133 . 1 1 102 102 GLU CB C 13 29.41 0.3 . . . . . . . 102 GLU CB . 27442 1 1134 . 1 1 102 102 GLU CG C 13 36.176 0.3 . . . . . . . 102 GLU CG . 27442 1 1135 . 1 1 102 102 GLU N N 15 120.325 0.3 . . . . . . . 102 GLU N . 27442 1 1136 . 1 1 103 103 TYR H H 1 7.975 0.02 . . . . . . . 103 TYR H . 27442 1 1137 . 1 1 103 103 TYR HA H 1 4.21 0.02 . . . . . . . 103 TYR HA . 27442 1 1138 . 1 1 103 103 TYR HB2 H 1 3.138 0.02 . . . . . . . 103 TYR HB2 . 27442 1 1139 . 1 1 103 103 TYR HB3 H 1 3.084 0.02 . . . . . . . 103 TYR HB3 . 27442 1 1140 . 1 1 103 103 TYR C C 13 179.548 0.3 . . . . . . . 103 TYR C . 27442 1 1141 . 1 1 103 103 TYR CA C 13 62.521 0.3 . . . . . . . 103 TYR CA . 27442 1 1142 . 1 1 103 103 TYR CB C 13 38.695 0.3 . . . . . . . 103 TYR CB . 27442 1 1143 . 1 1 103 103 TYR N N 15 119.298 0.3 . . . . . . . 103 TYR N . 27442 1 1144 . 1 1 104 104 LEU H H 1 8.801 0.02 . . . . . . . 104 LEU H . 27442 1 1145 . 1 1 104 104 LEU HA H 1 3.899 0.02 . . . . . . . 104 LEU HA . 27442 1 1146 . 1 1 104 104 LEU HB2 H 1 1.835 0.02 . . . . . . . 104 LEU HB2 . 27442 1 1147 . 1 1 104 104 LEU HB3 H 1 1.509 0.02 . . . . . . . 104 LEU HB3 . 27442 1 1148 . 1 1 104 104 LEU HG H 1 1.641 0.02 . . . . . . . 104 LEU HG . 27442 1 1149 . 1 1 104 104 LEU HD11 H 1 0.587 0.02 . . . . . . . 104 LEU HD11 . 27442 1 1150 . 1 1 104 104 LEU HD12 H 1 0.587 0.02 . . . . . . . 104 LEU HD11 . 27442 1 1151 . 1 1 104 104 LEU HD13 H 1 0.587 0.02 . . . . . . . 104 LEU HD11 . 27442 1 1152 . 1 1 104 104 LEU HD21 H 1 0.495 0.02 . . . . . . . 104 LEU HD21 . 27442 1 1153 . 1 1 104 104 LEU HD22 H 1 0.495 0.02 . . . . . . . 104 LEU HD21 . 27442 1 1154 . 1 1 104 104 LEU HD23 H 1 0.495 0.02 . . . . . . . 104 LEU HD21 . 27442 1 1155 . 1 1 104 104 LEU C C 13 179.441 0.3 . . . . . . . 104 LEU C . 27442 1 1156 . 1 1 104 104 LEU CA C 13 58.343 0.3 . . . . . . . 104 LEU CA . 27442 1 1157 . 1 1 104 104 LEU CB C 13 42.246 0.3 . . . . . . . 104 LEU CB . 27442 1 1158 . 1 1 104 104 LEU CG C 13 26.881 0.3 . . . . . . . 104 LEU CG . 27442 1 1159 . 1 1 104 104 LEU CD1 C 13 25.184 0.3 . . . . . . . 104 LEU CD1 . 27442 1 1160 . 1 1 104 104 LEU CD2 C 13 24.012 0.3 . . . . . . . 104 LEU CD2 . 27442 1 1161 . 1 1 104 104 LEU N N 15 121.538 0.3 . . . . . . . 104 LEU N . 27442 1 1162 . 1 1 105 105 LYS H H 1 7.91 0.02 . . . . . . . 105 LYS H . 27442 1 1163 . 1 1 105 105 LYS HA H 1 4.046 0.02 . . . . . . . 105 LYS HA . 27442 1 1164 . 1 1 105 105 LYS HB2 H 1 1.871 0.02 . . . . . . . 105 LYS HB2 . 27442 1 1165 . 1 1 105 105 LYS HG2 H 1 1.516 0.02 . . . . . . . 105 LYS HG2 . 27442 1 1166 . 1 1 105 105 LYS HG3 H 1 1.401 0.02 . . . . . . . 105 LYS HG3 . 27442 1 1167 . 1 1 105 105 LYS HD2 H 1 1.639 0.02 . . . . . . . 105 LYS HD2 . 27442 1 1168 . 1 1 105 105 LYS HE2 H 1 2.939 0.02 . . . . . . . 105 LYS HE2 . 27442 1 1169 . 1 1 105 105 LYS C C 13 178.007 0.3 . . . . . . . 105 LYS C . 27442 1 1170 . 1 1 105 105 LYS CA C 13 58.617 0.3 . . . . . . . 105 LYS CA . 27442 1 1171 . 1 1 105 105 LYS CB C 13 32.671 0.3 . . . . . . . 105 LYS CB . 27442 1 1172 . 1 1 105 105 LYS CG C 13 25.16 0.3 . . . . . . . 105 LYS CG . 27442 1 1173 . 1 1 105 105 LYS CD C 13 29.149 0.3 . . . . . . . 105 LYS CD . 27442 1 1174 . 1 1 105 105 LYS CE C 13 42.199 0.3 . . . . . . . 105 LYS CE . 27442 1 1175 . 1 1 105 105 LYS N N 15 117.335 0.3 . . . . . . . 105 LYS N . 27442 1 1176 . 1 1 106 106 SER H H 1 7.552 0.02 . . . . . . . 106 SER H . 27442 1 1177 . 1 1 106 106 SER HA H 1 4.41 0.02 . . . . . . . 106 SER HA . 27442 1 1178 . 1 1 106 106 SER HB2 H 1 3.922 0.02 . . . . . . . 106 SER HB2 . 27442 1 1179 . 1 1 106 106 SER HB3 H 1 3.845 0.02 . . . . . . . 106 SER HB3 . 27442 1 1180 . 1 1 106 106 SER C C 13 174.972 0.3 . . . . . . . 106 SER C . 27442 1 1181 . 1 1 106 106 SER CA C 13 59.08 0.3 . . . . . . . 106 SER CA . 27442 1 1182 . 1 1 106 106 SER CB C 13 64.26 0.3 . . . . . . . 106 SER CB . 27442 1 1183 . 1 1 106 106 SER N N 15 111.696 0.3 . . . . . . . 106 SER N . 27442 1 1184 . 1 1 107 107 SER H H 1 7.622 0.02 . . . . . . . 107 SER H . 27442 1 1185 . 1 1 107 107 SER HA H 1 4.538 0.02 . . . . . . . 107 SER HA . 27442 1 1186 . 1 1 107 107 SER HB2 H 1 4.154 0.02 . . . . . . . 107 SER HB2 . 27442 1 1187 . 1 1 107 107 SER HB3 H 1 3.956 0.02 . . . . . . . 107 SER HB3 . 27442 1 1188 . 1 1 107 107 SER C C 13 175.795 0.3 . . . . . . . 107 SER C . 27442 1 1189 . 1 1 107 107 SER CA C 13 58.584 0.3 . . . . . . . 107 SER CA . 27442 1 1190 . 1 1 107 107 SER CB C 13 63.376 0.3 . . . . . . . 107 SER CB . 27442 1 1191 . 1 1 107 107 SER N N 15 117.47 0.3 . . . . . . . 107 SER N . 27442 1 1192 . 1 1 108 108 LYS H H 1 8.66 0.02 . . . . . . . 108 LYS H . 27442 1 1193 . 1 1 108 108 LYS HA H 1 4.348 0.02 . . . . . . . 108 LYS HA . 27442 1 1194 . 1 1 108 108 LYS HB2 H 1 1.965 0.02 . . . . . . . 108 LYS HB2 . 27442 1 1195 . 1 1 108 108 LYS HB3 H 1 1.776 0.02 . . . . . . . 108 LYS HB3 . 27442 1 1196 . 1 1 108 108 LYS HG2 H 1 1.54 0.02 . . . . . . . 108 LYS HG2 . 27442 1 1197 . 1 1 108 108 LYS HG3 H 1 1.471 0.02 . . . . . . . 108 LYS HG3 . 27442 1 1198 . 1 1 108 108 LYS HD2 H 1 1.688 0.02 . . . . . . . 108 LYS HD2 . 27442 1 1199 . 1 1 108 108 LYS HE2 H 1 3.017 0.02 . . . . . . . 108 LYS HE2 . 27442 1 1200 . 1 1 108 108 LYS C C 13 177.31 0.3 . . . . . . . 108 LYS C . 27442 1 1201 . 1 1 108 108 LYS CA C 13 56.973 0.3 . . . . . . . 108 LYS CA . 27442 1 1202 . 1 1 108 108 LYS CB C 13 32.746 0.3 . . . . . . . 108 LYS CB . 27442 1 1203 . 1 1 108 108 LYS CG C 13 24.966 0.3 . . . . . . . 108 LYS CG . 27442 1 1204 . 1 1 108 108 LYS CD C 13 28.764 0.3 . . . . . . . 108 LYS CD . 27442 1 1205 . 1 1 108 108 LYS CE C 13 42.165 0.3 . . . . . . . 108 LYS CE . 27442 1 1206 . 1 1 108 108 LYS N N 15 125.453 0.3 . . . . . . . 108 LYS N . 27442 1 1207 . 1 1 109 109 SER H H 1 8.307 0.02 . . . . . . . 109 SER H . 27442 1 1208 . 1 1 109 109 SER HA H 1 4.486 0.02 . . . . . . . 109 SER HA . 27442 1 1209 . 1 1 109 109 SER HB2 H 1 3.948 0.02 . . . . . . . 109 SER HB2 . 27442 1 1210 . 1 1 109 109 SER HB3 H 1 3.873 0.02 . . . . . . . 109 SER HB3 . 27442 1 1211 . 1 1 109 109 SER C C 13 173.996 0.3 . . . . . . . 109 SER C . 27442 1 1212 . 1 1 109 109 SER CA C 13 58.019 0.3 . . . . . . . 109 SER CA . 27442 1 1213 . 1 1 109 109 SER CB C 13 63.831 0.3 . . . . . . . 109 SER CB . 27442 1 1214 . 1 1 109 109 SER N N 15 113.374 0.3 . . . . . . . 109 SER N . 27442 1 1215 . 1 1 110 110 LEU H H 1 7.289 0.02 . . . . . . . 110 LEU H . 27442 1 1216 . 1 1 110 110 LEU HA H 1 4.204 0.02 . . . . . . . 110 LEU HA . 27442 1 1217 . 1 1 110 110 LEU HB2 H 1 1.355 0.02 . . . . . . . 110 LEU HB2 . 27442 1 1218 . 1 1 110 110 LEU HG H 1 1.371 0.02 . . . . . . . 110 LEU HG . 27442 1 1219 . 1 1 110 110 LEU HD11 H 1 0.108 0.02 . . . . . . . 110 LEU HD11 . 27442 1 1220 . 1 1 110 110 LEU HD12 H 1 0.108 0.02 . . . . . . . 110 LEU HD11 . 27442 1 1221 . 1 1 110 110 LEU HD13 H 1 0.108 0.02 . . . . . . . 110 LEU HD11 . 27442 1 1222 . 1 1 110 110 LEU HD21 H 1 0.333 0.02 . . . . . . . 110 LEU HD21 . 27442 1 1223 . 1 1 110 110 LEU HD22 H 1 0.333 0.02 . . . . . . . 110 LEU HD21 . 27442 1 1224 . 1 1 110 110 LEU HD23 H 1 0.333 0.02 . . . . . . . 110 LEU HD21 . 27442 1 1225 . 1 1 110 110 LEU C C 13 176.508 0.3 . . . . . . . 110 LEU C . 27442 1 1226 . 1 1 110 110 LEU CA C 13 55.296 0.3 . . . . . . . 110 LEU CA . 27442 1 1227 . 1 1 110 110 LEU CB C 13 43.223 0.3 . . . . . . . 110 LEU CB . 27442 1 1228 . 1 1 110 110 LEU CG C 13 26.06 0.3 . . . . . . . 110 LEU CG . 27442 1 1229 . 1 1 110 110 LEU CD1 C 13 24.919 0.3 . . . . . . . 110 LEU CD1 . 27442 1 1230 . 1 1 110 110 LEU CD2 C 13 24.14 0.3 . . . . . . . 110 LEU CD2 . 27442 1 1231 . 1 1 110 110 LEU N N 15 123.876 0.3 . . . . . . . 110 LEU N . 27442 1 1232 . 1 1 111 111 ASP H H 1 8.341 0.02 . . . . . . . 111 ASP H . 27442 1 1233 . 1 1 111 111 ASP HA H 1 4.486 0.02 . . . . . . . 111 ASP HA . 27442 1 1234 . 1 1 111 111 ASP HB2 H 1 2.885 0.02 . . . . . . . 111 ASP HB2 . 27442 1 1235 . 1 1 111 111 ASP HB3 H 1 2.697 0.02 . . . . . . . 111 ASP HB3 . 27442 1 1236 . 1 1 111 111 ASP C C 13 175.977 0.3 . . . . . . . 111 ASP C . 27442 1 1237 . 1 1 111 111 ASP CA C 13 53.632 0.3 . . . . . . . 111 ASP CA . 27442 1 1238 . 1 1 111 111 ASP CB C 13 42.024 0.3 . . . . . . . 111 ASP CB . 27442 1 1239 . 1 1 111 111 ASP N N 15 125.324 0.3 . . . . . . . 111 ASP N . 27442 1 1240 . 1 1 112 112 LEU H H 1 8.477 0.02 . . . . . . . 112 LEU H . 27442 1 1241 . 1 1 112 112 LEU HA H 1 3.941 0.02 . . . . . . . 112 LEU HA . 27442 1 1242 . 1 1 112 112 LEU HB2 H 1 1.586 0.02 . . . . . . . 112 LEU HB2 . 27442 1 1243 . 1 1 112 112 LEU HB3 H 1 1.633 0.02 . . . . . . . 112 LEU HB3 . 27442 1 1244 . 1 1 112 112 LEU HG H 1 1.58 0.02 . . . . . . . 112 LEU HG . 27442 1 1245 . 1 1 112 112 LEU HD11 H 1 0.862 0.02 . . . . . . . 112 LEU HD11 . 27442 1 1246 . 1 1 112 112 LEU HD12 H 1 0.862 0.02 . . . . . . . 112 LEU HD11 . 27442 1 1247 . 1 1 112 112 LEU HD13 H 1 0.862 0.02 . . . . . . . 112 LEU HD11 . 27442 1 1248 . 1 1 112 112 LEU HD21 H 1 0.887 0.02 . . . . . . . 112 LEU HD21 . 27442 1 1249 . 1 1 112 112 LEU HD22 H 1 0.887 0.02 . . . . . . . 112 LEU HD21 . 27442 1 1250 . 1 1 112 112 LEU HD23 H 1 0.887 0.02 . . . . . . . 112 LEU HD21 . 27442 1 1251 . 1 1 112 112 LEU C C 13 178.226 0.3 . . . . . . . 112 LEU C . 27442 1 1252 . 1 1 112 112 LEU CA C 13 58.517 0.3 . . . . . . . 112 LEU CA . 27442 1 1253 . 1 1 112 112 LEU CB C 13 42.003 0.3 . . . . . . . 112 LEU CB . 27442 1 1254 . 1 1 112 112 LEU CG C 13 26.766 0.3 . . . . . . . 112 LEU CG . 27442 1 1255 . 1 1 112 112 LEU CD1 C 13 24.974 0.3 . . . . . . . 112 LEU CD1 . 27442 1 1256 . 1 1 112 112 LEU CD2 C 13 23.678 0.3 . . . . . . . 112 LEU CD2 . 27442 1 1257 . 1 1 112 112 LEU N N 15 123.482 0.3 . . . . . . . 112 LEU N . 27442 1 1258 . 1 1 113 113 ASN H H 1 8.377 0.02 . . . . . . . 113 ASN H . 27442 1 1259 . 1 1 113 113 ASN HA H 1 4.307 0.02 . . . . . . . 113 ASN HA . 27442 1 1260 . 1 1 113 113 ASN HB2 H 1 2.696 0.02 . . . . . . . 113 ASN HB2 . 27442 1 1261 . 1 1 113 113 ASN HB3 H 1 2.795 0.02 . . . . . . . 113 ASN HB3 . 27442 1 1262 . 1 1 113 113 ASN HD21 H 1 6.877 0.02 . . . . . . . 113 ASN HD21 . 27442 1 1263 . 1 1 113 113 ASN HD22 H 1 7.714 0.02 . . . . . . . 113 ASN HD22 . 27442 1 1264 . 1 1 113 113 ASN C C 13 178.727 0.3 . . . . . . . 113 ASN C . 27442 1 1265 . 1 1 113 113 ASN CA C 13 56.605 0.3 . . . . . . . 113 ASN CA . 27442 1 1266 . 1 1 113 113 ASN CB C 13 37.649 0.3 . . . . . . . 113 ASN CB . 27442 1 1267 . 1 1 113 113 ASN N N 15 115.434 0.3 . . . . . . . 113 ASN N . 27442 1 1268 . 1 1 113 113 ASN ND2 N 15 113.041 0.3 . . . . . . . 113 ASN ND2 . 27442 1 1269 . 1 1 114 114 THR H H 1 8.073 0.02 . . . . . . . 114 THR H . 27442 1 1270 . 1 1 114 114 THR HA H 1 3.785 0.02 . . . . . . . 114 THR HA . 27442 1 1271 . 1 1 114 114 THR HB H 1 3.86 0.02 . . . . . . . 114 THR HB . 27442 1 1272 . 1 1 114 114 THR HG21 H 1 0.839 0.02 . . . . . . . 114 THR HG21 . 27442 1 1273 . 1 1 114 114 THR HG22 H 1 0.839 0.02 . . . . . . . 114 THR HG21 . 27442 1 1274 . 1 1 114 114 THR HG23 H 1 0.839 0.02 . . . . . . . 114 THR HG21 . 27442 1 1275 . 1 1 114 114 THR C C 13 176.387 0.3 . . . . . . . 114 THR C . 27442 1 1276 . 1 1 114 114 THR CA C 13 66.664 0.3 . . . . . . . 114 THR CA . 27442 1 1277 . 1 1 114 114 THR CB C 13 67.401 0.3 . . . . . . . 114 THR CB . 27442 1 1278 . 1 1 114 114 THR CG2 C 13 22.221 0.3 . . . . . . . 114 THR CG2 . 27442 1 1279 . 1 1 114 114 THR N N 15 119.228 0.3 . . . . . . . 114 THR N . 27442 1 1280 . 1 1 115 115 ARG H H 1 8.068 0.02 . . . . . . . 115 ARG H . 27442 1 1281 . 1 1 115 115 ARG HA H 1 3.36 0.02 . . . . . . . 115 ARG HA . 27442 1 1282 . 1 1 115 115 ARG HB2 H 1 1.848 0.02 . . . . . . . 115 ARG HB2 . 27442 1 1283 . 1 1 115 115 ARG HB3 H 1 1.651 0.02 . . . . . . . 115 ARG HB3 . 27442 1 1284 . 1 1 115 115 ARG HG2 H 1 1.318 0.02 . . . . . . . 115 ARG HG2 . 27442 1 1285 . 1 1 115 115 ARG HG3 H 1 1.394 0.02 . . . . . . . 115 ARG HG3 . 27442 1 1286 . 1 1 115 115 ARG HD2 H 1 2.97 0.02 . . . . . . . 115 ARG HD2 . 27442 1 1287 . 1 1 115 115 ARG HD3 H 1 3.203 0.02 . . . . . . . 115 ARG HD3 . 27442 1 1288 . 1 1 115 115 ARG HE H 1 7.381 0.02 . . . . . . . 115 ARG HE . 27442 1 1289 . 1 1 115 115 ARG HH21 H 1 6.67 0.02 . . . . . . . 115 ARG HH21 . 27442 1 1290 . 1 1 115 115 ARG C C 13 177.612 0.3 . . . . . . . 115 ARG C . 27442 1 1291 . 1 1 115 115 ARG CA C 13 60.967 0.3 . . . . . . . 115 ARG CA . 27442 1 1292 . 1 1 115 115 ARG CB C 13 30.389 0.3 . . . . . . . 115 ARG CB . 27442 1 1293 . 1 1 115 115 ARG CG C 13 27.651 0.3 . . . . . . . 115 ARG CG . 27442 1 1294 . 1 1 115 115 ARG CD C 13 43.334 0.3 . . . . . . . 115 ARG CD . 27442 1 1295 . 1 1 115 115 ARG N N 15 122.976 0.3 . . . . . . . 115 ARG N . 27442 1 1296 . 1 1 115 115 ARG NE N 15 86.58 0.3 . . . . . . . 115 ARG NE . 27442 1 1297 . 1 1 116 116 ILE H H 1 8.414 0.02 . . . . . . . 116 ILE H . 27442 1 1298 . 1 1 116 116 ILE HA H 1 3.572 0.02 . . . . . . . 116 ILE HA . 27442 1 1299 . 1 1 116 116 ILE HB H 1 1.872 0.02 . . . . . . . 116 ILE HB . 27442 1 1300 . 1 1 116 116 ILE HG12 H 1 1.147 0.02 . . . . . . . 116 ILE HG12 . 27442 1 1301 . 1 1 116 116 ILE HG13 H 1 1.66 0.02 . . . . . . . 116 ILE HG13 . 27442 1 1302 . 1 1 116 116 ILE HG21 H 1 0.862 0.02 . . . . . . . 116 ILE HG21 . 27442 1 1303 . 1 1 116 116 ILE HG22 H 1 0.862 0.02 . . . . . . . 116 ILE HG21 . 27442 1 1304 . 1 1 116 116 ILE HG23 H 1 0.862 0.02 . . . . . . . 116 ILE HG21 . 27442 1 1305 . 1 1 116 116 ILE HD11 H 1 0.784 0.02 . . . . . . . 116 ILE HD11 . 27442 1 1306 . 1 1 116 116 ILE HD12 H 1 0.784 0.02 . . . . . . . 116 ILE HD11 . 27442 1 1307 . 1 1 116 116 ILE HD13 H 1 0.784 0.02 . . . . . . . 116 ILE HD11 . 27442 1 1308 . 1 1 116 116 ILE C C 13 177.914 0.3 . . . . . . . 116 ILE C . 27442 1 1309 . 1 1 116 116 ILE CA C 13 64.983 0.3 . . . . . . . 116 ILE CA . 27442 1 1310 . 1 1 116 116 ILE CB C 13 37.707 0.3 . . . . . . . 116 ILE CB . 27442 1 1311 . 1 1 116 116 ILE CG1 C 13 29.145 0.3 . . . . . . . 116 ILE CG1 . 27442 1 1312 . 1 1 116 116 ILE CG2 C 13 17.305 0.3 . . . . . . . 116 ILE CG2 . 27442 1 1313 . 1 1 116 116 ILE CD1 C 13 12.811 0.3 . . . . . . . 116 ILE CD1 . 27442 1 1314 . 1 1 116 116 ILE N N 15 117.133 0.3 . . . . . . . 116 ILE N . 27442 1 1315 . 1 1 117 117 SER H H 1 7.678 0.02 . . . . . . . 117 SER H . 27442 1 1316 . 1 1 117 117 SER HA H 1 4.248 0.02 . . . . . . . 117 SER HA . 27442 1 1317 . 1 1 117 117 SER HB2 H 1 3.97 0.02 . . . . . . . 117 SER HB2 . 27442 1 1318 . 1 1 117 117 SER HB3 H 1 3.996 0.02 . . . . . . . 117 SER HB3 . 27442 1 1319 . 1 1 117 117 SER C C 13 176.976 0.3 . . . . . . . 117 SER C . 27442 1 1320 . 1 1 117 117 SER CA C 13 61.812 0.3 . . . . . . . 117 SER CA . 27442 1 1321 . 1 1 117 117 SER CB C 13 62.782 0.3 . . . . . . . 117 SER CB . 27442 1 1322 . 1 1 117 117 SER N N 15 116.011 0.3 . . . . . . . 117 SER N . 27442 1 1323 . 1 1 118 118 VAL H H 1 7.824 0.02 . . . . . . . 118 VAL H . 27442 1 1324 . 1 1 118 118 VAL HA H 1 4.398 0.02 . . . . . . . 118 VAL HA . 27442 1 1325 . 1 1 118 118 VAL HB H 1 2.034 0.02 . . . . . . . 118 VAL HB . 27442 1 1326 . 1 1 118 118 VAL HG11 H 1 0.953 0.02 . . . . . . . 118 VAL HG11 . 27442 1 1327 . 1 1 118 118 VAL HG12 H 1 0.953 0.02 . . . . . . . 118 VAL HG11 . 27442 1 1328 . 1 1 118 118 VAL HG13 H 1 0.953 0.02 . . . . . . . 118 VAL HG11 . 27442 1 1329 . 1 1 118 118 VAL HG21 H 1 1.095 0.02 . . . . . . . 118 VAL HG21 . 27442 1 1330 . 1 1 118 118 VAL HG22 H 1 1.095 0.02 . . . . . . . 118 VAL HG21 . 27442 1 1331 . 1 1 118 118 VAL HG23 H 1 1.095 0.02 . . . . . . . 118 VAL HG21 . 27442 1 1332 . 1 1 118 118 VAL C C 13 178.134 0.3 . . . . . . . 118 VAL C . 27442 1 1333 . 1 1 118 118 VAL CA C 13 65.156 0.3 . . . . . . . 118 VAL CA . 27442 1 1334 . 1 1 118 118 VAL CB C 13 32.091 0.3 . . . . . . . 118 VAL CB . 27442 1 1335 . 1 1 118 118 VAL CG1 C 13 22.127 0.3 . . . . . . . 118 VAL CG1 . 27442 1 1336 . 1 1 118 118 VAL CG2 C 13 21.615 0.3 . . . . . . . 118 VAL CG2 . 27442 1 1337 . 1 1 118 118 VAL N N 15 126.141 0.3 . . . . . . . 118 VAL N . 27442 1 1338 . 1 1 119 119 ILE H H 1 8 0.02 . . . . . . . 119 ILE H . 27442 1 1339 . 1 1 119 119 ILE HA H 1 3.5 0.02 . . . . . . . 119 ILE HA . 27442 1 1340 . 1 1 119 119 ILE HB H 1 1.936 0.02 . . . . . . . 119 ILE HB . 27442 1 1341 . 1 1 119 119 ILE HG12 H 1 1.073 0.02 . . . . . . . 119 ILE HG12 . 27442 1 1342 . 1 1 119 119 ILE HG13 H 1 1.551 0.02 . . . . . . . 119 ILE HG13 . 27442 1 1343 . 1 1 119 119 ILE HG21 H 1 0.835 0.02 . . . . . . . 119 ILE HG21 . 27442 1 1344 . 1 1 119 119 ILE HG22 H 1 0.835 0.02 . . . . . . . 119 ILE HG21 . 27442 1 1345 . 1 1 119 119 ILE HG23 H 1 0.835 0.02 . . . . . . . 119 ILE HG21 . 27442 1 1346 . 1 1 119 119 ILE HD11 H 1 0.672 0.02 . . . . . . . 119 ILE HD11 . 27442 1 1347 . 1 1 119 119 ILE HD12 H 1 0.672 0.02 . . . . . . . 119 ILE HD11 . 27442 1 1348 . 1 1 119 119 ILE HD13 H 1 0.672 0.02 . . . . . . . 119 ILE HD11 . 27442 1 1349 . 1 1 119 119 ILE C C 13 178.925 0.3 . . . . . . . 119 ILE C . 27442 1 1350 . 1 1 119 119 ILE CA C 13 65.147 0.3 . . . . . . . 119 ILE CA . 27442 1 1351 . 1 1 119 119 ILE CB C 13 37.14 0.3 . . . . . . . 119 ILE CB . 27442 1 1352 . 1 1 119 119 ILE CG1 C 13 29.159 0.3 . . . . . . . 119 ILE CG1 . 27442 1 1353 . 1 1 119 119 ILE CG2 C 13 17.271 0.3 . . . . . . . 119 ILE CG2 . 27442 1 1354 . 1 1 119 119 ILE CD1 C 13 12.312 0.3 . . . . . . . 119 ILE CD1 . 27442 1 1355 . 1 1 119 119 ILE N N 15 120.623 0.3 . . . . . . . 119 ILE N . 27442 1 1356 . 1 1 120 120 GLU H H 1 8.781 0.02 . . . . . . . 120 GLU H . 27442 1 1357 . 1 1 120 120 GLU HA H 1 4.176 0.02 . . . . . . . 120 GLU HA . 27442 1 1358 . 1 1 120 120 GLU HB2 H 1 2.061 0.02 . . . . . . . 120 GLU HB2 . 27442 1 1359 . 1 1 120 120 GLU HB3 H 1 1.969 0.02 . . . . . . . 120 GLU HB3 . 27442 1 1360 . 1 1 120 120 GLU HG2 H 1 2.296 0.02 . . . . . . . 120 GLU HG2 . 27442 1 1361 . 1 1 120 120 GLU C C 13 178.776 0.3 . . . . . . . 120 GLU C . 27442 1 1362 . 1 1 120 120 GLU CA C 13 59.039 0.3 . . . . . . . 120 GLU CA . 27442 1 1363 . 1 1 120 120 GLU CB C 13 29.051 0.3 . . . . . . . 120 GLU CB . 27442 1 1364 . 1 1 120 120 GLU CG C 13 36.159 0.3 . . . . . . . 120 GLU CG . 27442 1 1365 . 1 1 120 120 GLU N N 15 119.861 0.3 . . . . . . . 120 GLU N . 27442 1 1366 . 1 1 121 121 THR H H 1 7.765 0.02 . . . . . . . 121 THR H . 27442 1 1367 . 1 1 121 121 THR HA H 1 3.839 0.02 . . . . . . . 121 THR HA . 27442 1 1368 . 1 1 121 121 THR HB H 1 4.441 0.02 . . . . . . . 121 THR HB . 27442 1 1369 . 1 1 121 121 THR HG21 H 1 1.169 0.02 . . . . . . . 121 THR HG21 . 27442 1 1370 . 1 1 121 121 THR HG22 H 1 1.169 0.02 . . . . . . . 121 THR HG21 . 27442 1 1371 . 1 1 121 121 THR HG23 H 1 1.169 0.02 . . . . . . . 121 THR HG21 . 27442 1 1372 . 1 1 121 121 THR C C 13 176.263 0.3 . . . . . . . 121 THR C . 27442 1 1373 . 1 1 121 121 THR CA C 13 67.699 0.3 . . . . . . . 121 THR CA . 27442 1 1374 . 1 1 121 121 THR CB C 13 68.251 0.3 . . . . . . . 121 THR CB . 27442 1 1375 . 1 1 121 121 THR CG2 C 13 21.751 0.3 . . . . . . . 121 THR CG2 . 27442 1 1376 . 1 1 121 121 THR N N 15 118.498 0.3 . . . . . . . 121 THR N . 27442 1 1377 . 1 1 122 122 ILE H H 1 8.291 0.02 . . . . . . . 122 ILE H . 27442 1 1378 . 1 1 122 122 ILE HA H 1 3.351 0.02 . . . . . . . 122 ILE HA . 27442 1 1379 . 1 1 122 122 ILE HB H 1 1.971 0.02 . . . . . . . 122 ILE HB . 27442 1 1380 . 1 1 122 122 ILE HG12 H 1 1.916 0.02 . . . . . . . 122 ILE HG12 . 27442 1 1381 . 1 1 122 122 ILE HG21 H 1 0.815 0.02 . . . . . . . 122 ILE HG21 . 27442 1 1382 . 1 1 122 122 ILE HG22 H 1 0.815 0.02 . . . . . . . 122 ILE HG21 . 27442 1 1383 . 1 1 122 122 ILE HG23 H 1 0.815 0.02 . . . . . . . 122 ILE HG21 . 27442 1 1384 . 1 1 122 122 ILE HD11 H 1 0.883 0.02 . . . . . . . 122 ILE HD11 . 27442 1 1385 . 1 1 122 122 ILE HD12 H 1 0.883 0.02 . . . . . . . 122 ILE HD11 . 27442 1 1386 . 1 1 122 122 ILE HD13 H 1 0.883 0.02 . . . . . . . 122 ILE HD11 . 27442 1 1387 . 1 1 122 122 ILE C C 13 178.558 0.3 . . . . . . . 122 ILE C . 27442 1 1388 . 1 1 122 122 ILE CA C 13 66.459 0.3 . . . . . . . 122 ILE CA . 27442 1 1389 . 1 1 122 122 ILE CB C 13 38.025 0.3 . . . . . . . 122 ILE CB . 27442 1 1390 . 1 1 122 122 ILE CG1 C 13 30.182 0.3 . . . . . . . 122 ILE CG1 . 27442 1 1391 . 1 1 122 122 ILE CG2 C 13 17.807 0.3 . . . . . . . 122 ILE CG2 . 27442 1 1392 . 1 1 122 122 ILE CD1 C 13 14.322 0.3 . . . . . . . 122 ILE CD1 . 27442 1 1393 . 1 1 122 122 ILE N N 15 121.072 0.3 . . . . . . . 122 ILE N . 27442 1 1394 . 1 1 123 123 ARG H H 1 8.295 0.02 . . . . . . . 123 ARG H . 27442 1 1395 . 1 1 123 123 ARG HA H 1 3.827 0.02 . . . . . . . 123 ARG HA . 27442 1 1396 . 1 1 123 123 ARG HB2 H 1 2.032 0.02 . . . . . . . 123 ARG HB2 . 27442 1 1397 . 1 1 123 123 ARG HB3 H 1 1.847 0.02 . . . . . . . 123 ARG HB3 . 27442 1 1398 . 1 1 123 123 ARG HG2 H 1 1.618 0.02 . . . . . . . 123 ARG HG2 . 27442 1 1399 . 1 1 123 123 ARG HG3 H 1 1.47 0.02 . . . . . . . 123 ARG HG3 . 27442 1 1400 . 1 1 123 123 ARG HD2 H 1 3.181 0.02 . . . . . . . 123 ARG HD2 . 27442 1 1401 . 1 1 123 123 ARG HD3 H 1 3.032 0.02 . . . . . . . 123 ARG HD3 . 27442 1 1402 . 1 1 123 123 ARG HE H 1 7.7 0.02 . . . . . . . 123 ARG HE . 27442 1 1403 . 1 1 123 123 ARG HH21 H 1 6.735 0.02 . . . . . . . 123 ARG HH21 . 27442 1 1404 . 1 1 123 123 ARG C C 13 178.267 0.3 . . . . . . . 123 ARG C . 27442 1 1405 . 1 1 123 123 ARG CA C 13 60.377 0.3 . . . . . . . 123 ARG CA . 27442 1 1406 . 1 1 123 123 ARG CB C 13 29.731 0.3 . . . . . . . 123 ARG CB . 27442 1 1407 . 1 1 123 123 ARG CG C 13 27.338 0.3 . . . . . . . 123 ARG CG . 27442 1 1408 . 1 1 123 123 ARG CD C 13 42.937 0.3 . . . . . . . 123 ARG CD . 27442 1 1409 . 1 1 123 123 ARG N N 15 122.266 0.3 . . . . . . . 123 ARG N . 27442 1 1410 . 1 1 123 123 ARG NE N 15 86.22 0.3 . . . . . . . 123 ARG NE . 27442 1 1411 . 1 1 124 124 VAL H H 1 7.98 0.02 . . . . . . . 124 VAL H . 27442 1 1412 . 1 1 124 124 VAL HA H 1 3.647 0.02 . . . . . . . 124 VAL HA . 27442 1 1413 . 1 1 124 124 VAL HB H 1 2.225 0.02 . . . . . . . 124 VAL HB . 27442 1 1414 . 1 1 124 124 VAL HG11 H 1 0.931 0.02 . . . . . . . 124 VAL HG11 . 27442 1 1415 . 1 1 124 124 VAL HG12 H 1 0.931 0.02 . . . . . . . 124 VAL HG11 . 27442 1 1416 . 1 1 124 124 VAL HG13 H 1 0.931 0.02 . . . . . . . 124 VAL HG11 . 27442 1 1417 . 1 1 124 124 VAL HG21 H 1 1.048 0.02 . . . . . . . 124 VAL HG21 . 27442 1 1418 . 1 1 124 124 VAL HG22 H 1 1.048 0.02 . . . . . . . 124 VAL HG21 . 27442 1 1419 . 1 1 124 124 VAL HG23 H 1 1.048 0.02 . . . . . . . 124 VAL HG21 . 27442 1 1420 . 1 1 124 124 VAL C C 13 179.952 0.3 . . . . . . . 124 VAL C . 27442 1 1421 . 1 1 124 124 VAL CA C 13 66.497 0.3 . . . . . . . 124 VAL CA . 27442 1 1422 . 1 1 124 124 VAL CB C 13 31.921 0.3 . . . . . . . 124 VAL CB . 27442 1 1423 . 1 1 124 124 VAL CG1 C 13 21.242 0.3 . . . . . . . 124 VAL CG1 . 27442 1 1424 . 1 1 124 124 VAL CG2 C 13 22.624 0.3 . . . . . . . 124 VAL CG2 . 27442 1 1425 . 1 1 124 124 VAL N N 15 118.405 0.3 . . . . . . . 124 VAL N . 27442 1 1426 . 1 1 125 125 VAL H H 1 8.332 0.02 . . . . . . . 125 VAL H . 27442 1 1427 . 1 1 125 125 VAL HA H 1 3.817 0.02 . . . . . . . 125 VAL HA . 27442 1 1428 . 1 1 125 125 VAL HB H 1 2.184 0.02 . . . . . . . 125 VAL HB . 27442 1 1429 . 1 1 125 125 VAL HG11 H 1 0.886 0.02 . . . . . . . 125 VAL HG11 . 27442 1 1430 . 1 1 125 125 VAL HG12 H 1 0.886 0.02 . . . . . . . 125 VAL HG11 . 27442 1 1431 . 1 1 125 125 VAL HG13 H 1 0.886 0.02 . . . . . . . 125 VAL HG11 . 27442 1 1432 . 1 1 125 125 VAL HG21 H 1 1.001 0.02 . . . . . . . 125 VAL HG21 . 27442 1 1433 . 1 1 125 125 VAL HG22 H 1 1.001 0.02 . . . . . . . 125 VAL HG21 . 27442 1 1434 . 1 1 125 125 VAL HG23 H 1 1.001 0.02 . . . . . . . 125 VAL HG21 . 27442 1 1435 . 1 1 125 125 VAL C C 13 177.933 0.3 . . . . . . . 125 VAL C . 27442 1 1436 . 1 1 125 125 VAL CA C 13 65.931 0.3 . . . . . . . 125 VAL CA . 27442 1 1437 . 1 1 125 125 VAL CB C 13 31.861 0.3 . . . . . . . 125 VAL CB . 27442 1 1438 . 1 1 125 125 VAL CG1 C 13 21.854 0.3 . . . . . . . 125 VAL CG1 . 27442 1 1439 . 1 1 125 125 VAL CG2 C 13 22.441 0.3 . . . . . . . 125 VAL CG2 . 27442 1 1440 . 1 1 125 125 VAL N N 15 119.201 0.3 . . . . . . . 125 VAL N . 27442 1 1441 . 1 1 126 126 THR H H 1 7.992 0.02 . . . . . . . 126 THR H . 27442 1 1442 . 1 1 126 126 THR HA H 1 4.047 0.02 . . . . . . . 126 THR HA . 27442 1 1443 . 1 1 126 126 THR HB H 1 4.335 0.02 . . . . . . . 126 THR HB . 27442 1 1444 . 1 1 126 126 THR HG21 H 1 1.146 0.02 . . . . . . . 126 THR HG21 . 27442 1 1445 . 1 1 126 126 THR HG22 H 1 1.146 0.02 . . . . . . . 126 THR HG21 . 27442 1 1446 . 1 1 126 126 THR HG23 H 1 1.146 0.02 . . . . . . . 126 THR HG21 . 27442 1 1447 . 1 1 126 126 THR C C 13 175.404 0.3 . . . . . . . 126 THR C . 27442 1 1448 . 1 1 126 126 THR CA C 13 63.362 0.3 . . . . . . . 126 THR CA . 27442 1 1449 . 1 1 126 126 THR CB C 13 69.831 0.3 . . . . . . . 126 THR CB . 27442 1 1450 . 1 1 126 126 THR CG2 C 13 21.942 0.3 . . . . . . . 126 THR CG2 . 27442 1 1451 . 1 1 126 126 THR N N 15 109.114 0.3 . . . . . . . 126 THR N . 27442 1 1452 . 1 1 127 127 GLU H H 1 7.9 0.02 . . . . . . . 127 GLU H . 27442 1 1453 . 1 1 127 127 GLU HA H 1 4.082 0.02 . . . . . . . 127 GLU HA . 27442 1 1454 . 1 1 127 127 GLU HB2 H 1 2.087 0.02 . . . . . . . 127 GLU HB2 . 27442 1 1455 . 1 1 127 127 GLU HG2 H 1 2.329 0.02 . . . . . . . 127 GLU HG2 . 27442 1 1456 . 1 1 127 127 GLU HG3 H 1 2.22 0.02 . . . . . . . 127 GLU HG3 . 27442 1 1457 . 1 1 127 127 GLU C C 13 176.38 0.3 . . . . . . . 127 GLU C . 27442 1 1458 . 1 1 127 127 GLU CA C 13 57.541 0.3 . . . . . . . 127 GLU CA . 27442 1 1459 . 1 1 127 127 GLU CB C 13 28.768 0.3 . . . . . . . 127 GLU CB . 27442 1 1460 . 1 1 127 127 GLU CG C 13 36.625 0.3 . . . . . . . 127 GLU CG . 27442 1 1461 . 1 1 127 127 GLU N N 15 120.753 0.3 . . . . . . . 127 GLU N . 27442 1 1462 . 1 1 128 128 ASN H H 1 8.251 0.02 . . . . . . . 128 ASN H . 27442 1 1463 . 1 1 128 128 ASN HA H 1 4.474 0.02 . . . . . . . 128 ASN HA . 27442 1 1464 . 1 1 128 128 ASN HB2 H 1 2.959 0.02 . . . . . . . 128 ASN HB2 . 27442 1 1465 . 1 1 128 128 ASN HB3 H 1 2.863 0.02 . . . . . . . 128 ASN HB3 . 27442 1 1466 . 1 1 128 128 ASN HD21 H 1 7.574 0.02 . . . . . . . 128 ASN HD21 . 27442 1 1467 . 1 1 128 128 ASN HD22 H 1 6.849 0.02 . . . . . . . 128 ASN HD22 . 27442 1 1468 . 1 1 128 128 ASN C C 13 175.492 0.3 . . . . . . . 128 ASN C . 27442 1 1469 . 1 1 128 128 ASN CA C 13 54.216 0.3 . . . . . . . 128 ASN CA . 27442 1 1470 . 1 1 128 128 ASN CB C 13 38.844 0.3 . . . . . . . 128 ASN CB . 27442 1 1471 . 1 1 128 128 ASN N N 15 116.329 0.3 . . . . . . . 128 ASN N . 27442 1 1472 . 1 1 128 128 ASN ND2 N 15 112.418 0.3 . . . . . . . 128 ASN ND2 . 27442 1 1473 . 1 1 129 129 LYS H H 1 8.12 0.02 . . . . . . . 129 LYS H . 27442 1 1474 . 1 1 129 129 LYS HA H 1 4.245 0.02 . . . . . . . 129 LYS HA . 27442 1 1475 . 1 1 129 129 LYS HB2 H 1 1.774 0.02 . . . . . . . 129 LYS HB2 . 27442 1 1476 . 1 1 129 129 LYS HG2 H 1 1.403 0.02 . . . . . . . 129 LYS HG2 . 27442 1 1477 . 1 1 129 129 LYS HD2 H 1 1.642 0.02 . . . . . . . 129 LYS HD2 . 27442 1 1478 . 1 1 129 129 LYS HE2 H 1 2.956 0.02 . . . . . . . 129 LYS HE2 . 27442 1 1479 . 1 1 129 129 LYS C C 13 176.67 0.3 . . . . . . . 129 LYS C . 27442 1 1480 . 1 1 129 129 LYS CA C 13 57.246 0.3 . . . . . . . 129 LYS CA . 27442 1 1481 . 1 1 129 129 LYS CB C 13 33.017 0.3 . . . . . . . 129 LYS CB . 27442 1 1482 . 1 1 129 129 LYS CG C 13 24.796 0.3 . . . . . . . 129 LYS CG . 27442 1 1483 . 1 1 129 129 LYS CD C 13 29.158 0.3 . . . . . . . 129 LYS CD . 27442 1 1484 . 1 1 129 129 LYS CE C 13 42.155 0.3 . . . . . . . 129 LYS CE . 27442 1 1485 . 1 1 129 129 LYS N N 15 120.172 0.3 . . . . . . . 129 LYS N . 27442 1 1486 . 1 1 130 130 ILE H H 1 7.844 0.02 . . . . . . . 130 ILE H . 27442 1 1487 . 1 1 130 130 ILE HA H 1 4.08 0.02 . . . . . . . 130 ILE HA . 27442 1 1488 . 1 1 130 130 ILE HB H 1 1.72 0.02 . . . . . . . 130 ILE HB . 27442 1 1489 . 1 1 130 130 ILE HG12 H 1 1.237 0.02 . . . . . . . 130 ILE HG12 . 27442 1 1490 . 1 1 130 130 ILE HG13 H 1 1.014 0.02 . . . . . . . 130 ILE HG13 . 27442 1 1491 . 1 1 130 130 ILE HG21 H 1 0.689 0.02 . . . . . . . 130 ILE HG21 . 27442 1 1492 . 1 1 130 130 ILE HG22 H 1 0.689 0.02 . . . . . . . 130 ILE HG21 . 27442 1 1493 . 1 1 130 130 ILE HG23 H 1 0.689 0.02 . . . . . . . 130 ILE HG21 . 27442 1 1494 . 1 1 130 130 ILE HD11 H 1 0.73 0.02 . . . . . . . 130 ILE HD11 . 27442 1 1495 . 1 1 130 130 ILE HD12 H 1 0.73 0.02 . . . . . . . 130 ILE HD11 . 27442 1 1496 . 1 1 130 130 ILE HD13 H 1 0.73 0.02 . . . . . . . 130 ILE HD11 . 27442 1 1497 . 1 1 130 130 ILE C C 13 175.414 0.3 . . . . . . . 130 ILE C . 27442 1 1498 . 1 1 130 130 ILE CA C 13 61.409 0.3 . . . . . . . 130 ILE CA . 27442 1 1499 . 1 1 130 130 ILE CB C 13 38.642 0.3 . . . . . . . 130 ILE CB . 27442 1 1500 . 1 1 130 130 ILE CG1 C 13 27.222 0.3 . . . . . . . 130 ILE CG1 . 27442 1 1501 . 1 1 130 130 ILE CG2 C 13 17.385 0.3 . . . . . . . 130 ILE CG2 . 27442 1 1502 . 1 1 130 130 ILE CD1 C 13 12.958 0.3 . . . . . . . 130 ILE CD1 . 27442 1 1503 . 1 1 130 130 ILE N N 15 118.38 0.3 . . . . . . . 130 ILE N . 27442 1 1504 . 1 1 131 131 PHE H H 1 8.149 0.02 . . . . . . . 131 PHE H . 27442 1 1505 . 1 1 131 131 PHE HA H 1 4.572 0.02 . . . . . . . 131 PHE HA . 27442 1 1506 . 1 1 131 131 PHE HB2 H 1 3.115 0.02 . . . . . . . 131 PHE HB2 . 27442 1 1507 . 1 1 131 131 PHE HB3 H 1 2.945 0.02 . . . . . . . 131 PHE HB3 . 27442 1 1508 . 1 1 131 131 PHE C C 13 175.258 0.3 . . . . . . . 131 PHE C . 27442 1 1509 . 1 1 131 131 PHE CA C 13 57.752 0.3 . . . . . . . 131 PHE CA . 27442 1 1510 . 1 1 131 131 PHE CB C 13 39.546 0.3 . . . . . . . 131 PHE CB . 27442 1 1511 . 1 1 131 131 PHE N N 15 122.722 0.3 . . . . . . . 131 PHE N . 27442 1 1512 . 1 1 132 132 VAL H H 1 7.761 0.02 . . . . . . . 132 VAL H . 27442 1 1513 . 1 1 132 132 VAL HA H 1 4.023 0.02 . . . . . . . 132 VAL HA . 27442 1 1514 . 1 1 132 132 VAL HB H 1 1.97 0.02 . . . . . . . 132 VAL HB . 27442 1 1515 . 1 1 132 132 VAL HG11 H 1 0.858 0.02 . . . . . . . 132 VAL HG11 . 27442 1 1516 . 1 1 132 132 VAL HG12 H 1 0.858 0.02 . . . . . . . 132 VAL HG11 . 27442 1 1517 . 1 1 132 132 VAL HG13 H 1 0.858 0.02 . . . . . . . 132 VAL HG11 . 27442 1 1518 . 1 1 132 132 VAL C C 13 175.258 0.3 . . . . . . . 132 VAL C . 27442 1 1519 . 1 1 132 132 VAL CA C 13 62.129 0.3 . . . . . . . 132 VAL CA . 27442 1 1520 . 1 1 132 132 VAL CB C 13 33.173 0.3 . . . . . . . 132 VAL CB . 27442 1 1521 . 1 1 132 132 VAL CG1 C 13 21.235 0.3 . . . . . . . 132 VAL CG1 . 27442 1 1522 . 1 1 132 132 VAL N N 15 121.014 0.3 . . . . . . . 132 VAL N . 27442 1 1523 . 1 1 133 133 GLU H H 1 8.318 0.02 . . . . . . . 133 GLU H . 27442 1 1524 . 1 1 133 133 GLU HA H 1 4.259 0.02 . . . . . . . 133 GLU HA . 27442 1 1525 . 1 1 133 133 GLU HB2 H 1 1.984 0.02 . . . . . . . 133 GLU HB2 . 27442 1 1526 . 1 1 133 133 GLU HB3 H 1 1.885 0.02 . . . . . . . 133 GLU HB3 . 27442 1 1527 . 1 1 133 133 GLU HG2 H 1 2.211 0.02 . . . . . . . 133 GLU HG2 . 27442 1 1528 . 1 1 133 133 GLU HG3 H 1 2.248 0.02 . . . . . . . 133 GLU HG3 . 27442 1 1529 . 1 1 133 133 GLU C C 13 176.08 0.3 . . . . . . . 133 GLU C . 27442 1 1530 . 1 1 133 133 GLU CA C 13 56.352 0.3 . . . . . . . 133 GLU CA . 27442 1 1531 . 1 1 133 133 GLU CB C 13 30.57 0.3 . . . . . . . 133 GLU CB . 27442 1 1532 . 1 1 133 133 GLU CG C 13 36.244 0.3 . . . . . . . 133 GLU CG . 27442 1 1533 . 1 1 133 133 GLU N N 15 124.412 0.3 . . . . . . . 133 GLU N . 27442 1 1534 . 1 1 134 134 VAL H H 1 8.066 0.02 . . . . . . . 134 VAL H . 27442 1 1535 . 1 1 134 134 VAL HA H 1 4.061 0.02 . . . . . . . 134 VAL HA . 27442 1 1536 . 1 1 134 134 VAL HB H 1 2.023 0.02 . . . . . . . 134 VAL HB . 27442 1 1537 . 1 1 134 134 VAL HG11 H 1 0.881 0.02 . . . . . . . 134 VAL HG11 . 27442 1 1538 . 1 1 134 134 VAL HG12 H 1 0.881 0.02 . . . . . . . 134 VAL HG11 . 27442 1 1539 . 1 1 134 134 VAL HG13 H 1 0.881 0.02 . . . . . . . 134 VAL HG11 . 27442 1 1540 . 1 1 134 134 VAL C C 13 175.727 0.3 . . . . . . . 134 VAL C . 27442 1 1541 . 1 1 134 134 VAL CA C 13 62.125 0.3 . . . . . . . 134 VAL CA . 27442 1 1542 . 1 1 134 134 VAL CB C 13 32.993 0.3 . . . . . . . 134 VAL CB . 27442 1 1543 . 1 1 134 134 VAL CG1 C 13 21.057 0.3 . . . . . . . 134 VAL CG1 . 27442 1 1544 . 1 1 134 134 VAL N N 15 120.725 0.3 . . . . . . . 134 VAL N . 27442 1 1545 . 1 1 135 135 GLU H H 1 8.42 0.02 . . . . . . . 135 GLU H . 27442 1 1546 . 1 1 135 135 GLU HA H 1 4.252 0.02 . . . . . . . 135 GLU HA . 27442 1 1547 . 1 1 135 135 GLU HB2 H 1 2.014 0.02 . . . . . . . 135 GLU HB2 . 27442 1 1548 . 1 1 135 135 GLU HB3 H 1 1.895 0.02 . . . . . . . 135 GLU HB3 . 27442 1 1549 . 1 1 135 135 GLU HG2 H 1 2.255 0.02 . . . . . . . 135 GLU HG2 . 27442 1 1550 . 1 1 135 135 GLU HG3 H 1 2.212 0.02 . . . . . . . 135 GLU HG3 . 27442 1 1551 . 1 1 135 135 GLU C C 13 175.258 0.3 . . . . . . . 135 GLU C . 27442 1 1552 . 1 1 135 135 GLU CA C 13 56.74 0.3 . . . . . . . 135 GLU CA . 27442 1 1553 . 1 1 135 135 GLU CB C 13 30.42 0.3 . . . . . . . 135 GLU CB . 27442 1 1554 . 1 1 135 135 GLU CG C 13 36.244 0.3 . . . . . . . 135 GLU CG . 27442 1 1555 . 1 1 135 135 GLU N N 15 125.105 0.3 . . . . . . . 135 GLU N . 27442 1 1556 . 1 1 136 136 ARG H H 1 7.925 0.02 . . . . . . . 136 ARG H . 27442 1 1557 . 1 1 136 136 ARG HA H 1 4.133 0.02 . . . . . . . 136 ARG HA . 27442 1 1558 . 1 1 136 136 ARG HB2 H 1 1.797 0.02 . . . . . . . 136 ARG HB2 . 27442 1 1559 . 1 1 136 136 ARG HB3 H 1 1.669 0.02 . . . . . . . 136 ARG HB3 . 27442 1 1560 . 1 1 136 136 ARG HG2 H 1 1.549 0.02 . . . . . . . 136 ARG HG2 . 27442 1 1561 . 1 1 136 136 ARG HD2 H 1 3.139 0.02 . . . . . . . 136 ARG HD2 . 27442 1 1562 . 1 1 136 136 ARG HE H 1 7.176 0.02 . . . . . . . 136 ARG HE . 27442 1 1563 . 1 1 136 136 ARG CA C 13 57.419 0.3 . . . . . . . 136 ARG CA . 27442 1 1564 . 1 1 136 136 ARG CB C 13 31.664 0.3 . . . . . . . 136 ARG CB . 27442 1 1565 . 1 1 136 136 ARG CG C 13 27.141 0.3 . . . . . . . 136 ARG CG . 27442 1 1566 . 1 1 136 136 ARG CD C 13 43.557 0.3 . . . . . . . 136 ARG CD . 27442 1 1567 . 1 1 136 136 ARG N N 15 127.302 0.3 . . . . . . . 136 ARG N . 27442 1 stop_ save_