data_28101 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28101 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Scc4 in Chlamydia Trachomatis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-20 _Entry.Accession_date 2020-03-20 _Entry.Last_release_date 2020-03-20 _Entry.Original_release_date 2020-03-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Thilini Ukwaththage . O. . . 28101 2 Marco Tonelli . . . . 28101 3 Megan Macnaughtan . A. . . 28101 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Macnaughtan group, LSU' . 28101 2 . NMRFAM . 28101 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28101 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 28101 '15N chemical shifts' 124 28101 '1H chemical shifts' 796 28101 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-07-16 . original BMRB . 28101 stop_ save_ ############### # Citations # ############### save_Citation_Scc4 _Citation.Sf_category citations _Citation.Sf_framecode Citation_Scc4 _Citation.Entry_ID 28101 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32617786 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments and secondary structure of Scc4 from Chlamydia trachomatis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 301 _Citation.Page_last 307 _Citation.Year 2020 _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 Thilini Ukwaththage . O. . . 28101 1 2 Marco Tonelli . . . . 28101 1 3 Megan Macnaughtan . A. . . 28101 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Chlamydia trachomatis' 28101 1 'RNAP binding protein' 28101 1 Scc4 28101 1 chaperone 28101 1 'transcription regulation' 28101 1 'type III secretion system' 28101 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28101 _Assembly.ID 1 _Assembly.Name 'Scc4 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 29320 _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 'Scc4, subunit 1' 1 $Scc4 A . yes native no no . . 'Homodimer based on size exclusion chromatographic data' 28101 1 2 'Scc4, subunit 2' 1 $Scc4 B . yes native no no . . 'Homodimer based on size exclusion chromatographic data' 28101 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Scc4 _Entity.Sf_category entity _Entity.Sf_framecode Scc4 _Entity.Entry_ID 28101 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Scc4 _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 ; MLEKLIKNFVAYMGVASELE FDADGSYVFPISSLVRMRVR QNADEEIIISAFLGEIPASM DIEKAYARMMEGNLFGQETG GAALGLDSDGHAVLVRRVPG EVSQEDFASYIESVLNYAEA WLEDLGLSKTEQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNAP binding protein' 28101 1 'type III secretion system chaperone' 28101 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 28101 1 2 . LEU . 28101 1 3 . GLU . 28101 1 4 . LYS . 28101 1 5 . LEU . 28101 1 6 . ILE . 28101 1 7 . LYS . 28101 1 8 . ASN . 28101 1 9 . PHE . 28101 1 10 . VAL . 28101 1 11 . ALA . 28101 1 12 . TYR . 28101 1 13 . MET . 28101 1 14 . GLY . 28101 1 15 . VAL . 28101 1 16 . ALA . 28101 1 17 . SER . 28101 1 18 . GLU . 28101 1 19 . LEU . 28101 1 20 . GLU . 28101 1 21 . PHE . 28101 1 22 . ASP . 28101 1 23 . ALA . 28101 1 24 . ASP . 28101 1 25 . GLY . 28101 1 26 . SER . 28101 1 27 . TYR . 28101 1 28 . VAL . 28101 1 29 . PHE . 28101 1 30 . PRO . 28101 1 31 . ILE . 28101 1 32 . SER . 28101 1 33 . SER . 28101 1 34 . LEU . 28101 1 35 . VAL . 28101 1 36 . ARG . 28101 1 37 . MET . 28101 1 38 . ARG . 28101 1 39 . VAL . 28101 1 40 . ARG . 28101 1 41 . GLN . 28101 1 42 . ASN . 28101 1 43 . ALA . 28101 1 44 . ASP . 28101 1 45 . GLU . 28101 1 46 . GLU . 28101 1 47 . ILE . 28101 1 48 . ILE . 28101 1 49 . ILE . 28101 1 50 . SER . 28101 1 51 . ALA . 28101 1 52 . PHE . 28101 1 53 . LEU . 28101 1 54 . GLY . 28101 1 55 . GLU . 28101 1 56 . ILE . 28101 1 57 . PRO . 28101 1 58 . ALA . 28101 1 59 . SER . 28101 1 60 . MET . 28101 1 61 . ASP . 28101 1 62 . ILE . 28101 1 63 . GLU . 28101 1 64 . LYS . 28101 1 65 . ALA . 28101 1 66 . TYR . 28101 1 67 . ALA . 28101 1 68 . ARG . 28101 1 69 . MET . 28101 1 70 . MET . 28101 1 71 . GLU . 28101 1 72 . GLY . 28101 1 73 . ASN . 28101 1 74 . LEU . 28101 1 75 . PHE . 28101 1 76 . GLY . 28101 1 77 . GLN . 28101 1 78 . GLU . 28101 1 79 . THR . 28101 1 80 . GLY . 28101 1 81 . GLY . 28101 1 82 . ALA . 28101 1 83 . ALA . 28101 1 84 . LEU . 28101 1 85 . GLY . 28101 1 86 . LEU . 28101 1 87 . ASP . 28101 1 88 . SER . 28101 1 89 . ASP . 28101 1 90 . GLY . 28101 1 91 . HIS . 28101 1 92 . ALA . 28101 1 93 . VAL . 28101 1 94 . LEU . 28101 1 95 . VAL . 28101 1 96 . ARG . 28101 1 97 . ARG . 28101 1 98 . VAL . 28101 1 99 . PRO . 28101 1 100 . GLY . 28101 1 101 . GLU . 28101 1 102 . VAL . 28101 1 103 . SER . 28101 1 104 . GLN . 28101 1 105 . GLU . 28101 1 106 . ASP . 28101 1 107 . PHE . 28101 1 108 . ALA . 28101 1 109 . SER . 28101 1 110 . TYR . 28101 1 111 . ILE . 28101 1 112 . GLU . 28101 1 113 . SER . 28101 1 114 . VAL . 28101 1 115 . LEU . 28101 1 116 . ASN . 28101 1 117 . TYR . 28101 1 118 . ALA . 28101 1 119 . GLU . 28101 1 120 . ALA . 28101 1 121 . TRP . 28101 1 122 . LEU . 28101 1 123 . GLU . 28101 1 124 . ASP . 28101 1 125 . LEU . 28101 1 126 . GLY . 28101 1 127 . LEU . 28101 1 128 . SER . 28101 1 129 . LYS . 28101 1 130 . THR . 28101 1 131 . GLU . 28101 1 132 . GLN . 28101 1 133 . GLU . 28101 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 28101 1 . LEU 2 2 28101 1 . GLU 3 3 28101 1 . LYS 4 4 28101 1 . LEU 5 5 28101 1 . ILE 6 6 28101 1 . LYS 7 7 28101 1 . ASN 8 8 28101 1 . PHE 9 9 28101 1 . VAL 10 10 28101 1 . ALA 11 11 28101 1 . TYR 12 12 28101 1 . MET 13 13 28101 1 . GLY 14 14 28101 1 . VAL 15 15 28101 1 . ALA 16 16 28101 1 . SER 17 17 28101 1 . GLU 18 18 28101 1 . LEU 19 19 28101 1 . GLU 20 20 28101 1 . PHE 21 21 28101 1 . ASP 22 22 28101 1 . ALA 23 23 28101 1 . ASP 24 24 28101 1 . GLY 25 25 28101 1 . SER 26 26 28101 1 . TYR 27 27 28101 1 . VAL 28 28 28101 1 . PHE 29 29 28101 1 . PRO 30 30 28101 1 . ILE 31 31 28101 1 . SER 32 32 28101 1 . SER 33 33 28101 1 . LEU 34 34 28101 1 . VAL 35 35 28101 1 . ARG 36 36 28101 1 . MET 37 37 28101 1 . ARG 38 38 28101 1 . VAL 39 39 28101 1 . ARG 40 40 28101 1 . GLN 41 41 28101 1 . ASN 42 42 28101 1 . ALA 43 43 28101 1 . ASP 44 44 28101 1 . GLU 45 45 28101 1 . GLU 46 46 28101 1 . ILE 47 47 28101 1 . ILE 48 48 28101 1 . ILE 49 49 28101 1 . SER 50 50 28101 1 . ALA 51 51 28101 1 . PHE 52 52 28101 1 . LEU 53 53 28101 1 . GLY 54 54 28101 1 . GLU 55 55 28101 1 . ILE 56 56 28101 1 . PRO 57 57 28101 1 . ALA 58 58 28101 1 . SER 59 59 28101 1 . MET 60 60 28101 1 . ASP 61 61 28101 1 . ILE 62 62 28101 1 . GLU 63 63 28101 1 . LYS 64 64 28101 1 . ALA 65 65 28101 1 . TYR 66 66 28101 1 . ALA 67 67 28101 1 . ARG 68 68 28101 1 . MET 69 69 28101 1 . MET 70 70 28101 1 . GLU 71 71 28101 1 . GLY 72 72 28101 1 . ASN 73 73 28101 1 . LEU 74 74 28101 1 . PHE 75 75 28101 1 . GLY 76 76 28101 1 . GLN 77 77 28101 1 . GLU 78 78 28101 1 . THR 79 79 28101 1 . GLY 80 80 28101 1 . GLY 81 81 28101 1 . ALA 82 82 28101 1 . ALA 83 83 28101 1 . LEU 84 84 28101 1 . GLY 85 85 28101 1 . LEU 86 86 28101 1 . ASP 87 87 28101 1 . SER 88 88 28101 1 . ASP 89 89 28101 1 . GLY 90 90 28101 1 . HIS 91 91 28101 1 . ALA 92 92 28101 1 . VAL 93 93 28101 1 . LEU 94 94 28101 1 . VAL 95 95 28101 1 . ARG 96 96 28101 1 . ARG 97 97 28101 1 . VAL 98 98 28101 1 . PRO 99 99 28101 1 . GLY 100 100 28101 1 . GLU 101 101 28101 1 . VAL 102 102 28101 1 . SER 103 103 28101 1 . GLN 104 104 28101 1 . GLU 105 105 28101 1 . ASP 106 106 28101 1 . PHE 107 107 28101 1 . ALA 108 108 28101 1 . SER 109 109 28101 1 . TYR 110 110 28101 1 . ILE 111 111 28101 1 . GLU 112 112 28101 1 . SER 113 113 28101 1 . VAL 114 114 28101 1 . LEU 115 115 28101 1 . ASN 116 116 28101 1 . TYR 117 117 28101 1 . ALA 118 118 28101 1 . GLU 119 119 28101 1 . ALA 120 120 28101 1 . TRP 121 121 28101 1 . LEU 122 122 28101 1 . GLU 123 123 28101 1 . ASP 124 124 28101 1 . LEU 125 125 28101 1 . GLY 126 126 28101 1 . LEU 127 127 28101 1 . SER 128 128 28101 1 . LYS 129 129 28101 1 . THR 130 130 28101 1 . GLU 131 131 28101 1 . GLN 132 132 28101 1 . GLU 133 133 28101 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 28101 _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 $Scc4 . 813 organism . 'Chlamydia trachomatis' 'Chlamydia trachomatis' . . Bacteria . Chlamydia trachomatis 'Chlamydia trachomatis D' . . . . . . . . . . CT_663 . 28101 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 28101 _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 $Scc4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28Scc4 . . . 28101 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28101 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _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 Scc4 '[U-99% 13C; U-99% 15N]' . . 1 $Scc4 . . 0.5 . . mM . . . . 28101 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 28101 1 3 DSS 'natural abundance' . . . . . . 5 . . uM . . . . 28101 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 28101 1 5 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 28101 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 28101 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.3 . pH 28101 1 pressure 1 . atm 28101 1 temperature 298 . K 28101 1 stop_ save_ ############################ # Computer software used # ############################ save_NMR-Sparky _Software.Sf_category software _Software.Sf_framecode NMR-Sparky _Software.Entry_ID 28101 _Software.ID 1 _Software.Type . _Software.Name NMR-Sparky _Software.Version 3.135 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 28101 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28101 1 'peak picking' . 28101 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28101 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28101 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28101 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28101 _Software.ID 3 _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' . . 28101 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28101 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 28101 _Software.ID 4 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 28101 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28101 4 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 28101 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian/Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28101 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian/Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 28101 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Varian/Agilent VNMRS . 600 . . . 28101 1 2 spectrometer_2 Varian/Agilent VNMRS . 800 . . . 28101 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 28101 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 28101 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 7 1H-13C-HSQC-CT-2D no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 28101 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 10 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 11 '3D HC(C)H-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 12 '2D Aromatic 1H, 13C-HSQC-CT' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 13 '2D Aromatic Cb-13CHSQC-CT' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 28101 1 14 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 15 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 1 16 '3D Aromatic HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28101 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 28101 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 internal indirect 0.251449530 . . . . . 28101 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28101 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 28101 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 28101 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28101 1 2 '3D CBCA(CO)NH' . . . 28101 1 3 '3D HNCACB' . . . 28101 1 4 '3D HNCO' . . . 28101 1 5 '3D HN(CO)CA' . . . 28101 1 6 '3D HNCA' . . . 28101 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMR-Sparky . . 28101 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.684 0.01 . . . . . . . 1 MET H . 28101 1 2 . 1 . 1 1 1 MET HA H 1 4.314 0.01 . . . . . . . 1 MET HA . 28101 1 3 . 1 . 1 1 1 MET HB2 H 1 1.970 0.06 . . . . . . . 1 MET HB . 28101 1 4 . 1 . 1 1 1 MET HB3 H 1 1.970 0.06 . . . . . . . 1 MET HB . 28101 1 5 . 1 . 1 1 1 MET HG2 H 1 2.678 0.01 . . . . . . . 1 MET HG2 . 28101 1 6 . 1 . 1 1 1 MET HG3 H 1 2.580 0.04 . . . . . . . 1 MET HG3 . 28101 1 7 . 1 . 1 1 1 MET C C 13 176.437 0.00 . . . . . . . 1 MET C . 28101 1 8 . 1 . 1 1 1 MET CA C 13 56.378 0.11 . . . . . . . 1 MET CA . 28101 1 9 . 1 . 1 1 1 MET CB C 13 32.081 0.11 . . . . . . . 1 MET CB . 28101 1 10 . 1 . 1 1 1 MET CG C 13 32.047 0.07 . . . . . . . 1 MET CG . 28101 1 11 . 1 . 1 1 1 MET N N 15 129.359 0.04 . . . . . . . 1 MET N . 28101 1 12 . 1 . 1 2 2 LEU H H 1 8.490 0.01 . . . . . . . 2 LEU H . 28101 1 13 . 1 . 1 2 2 LEU HA H 1 3.856 0.02 . . . . . . . 2 LEU HA . 28101 1 14 . 1 . 1 2 2 LEU HB2 H 1 1.884 0.01 . . . . . . . 2 LEU HB2 . 28101 1 15 . 1 . 1 2 2 LEU HB3 H 1 1.537 0.03 . . . . . . . 2 LEU HB3 . 28101 1 16 . 1 . 1 2 2 LEU HG H 1 1.089 0.01 . . . . . . . 2 LEU HG . 28101 1 17 . 1 . 1 2 2 LEU HD11 H 1 0.821 0.01 . . . . . . . 2 LEU HD . 28101 1 18 . 1 . 1 2 2 LEU HD12 H 1 0.821 0.01 . . . . . . . 2 LEU HD . 28101 1 19 . 1 . 1 2 2 LEU HD13 H 1 0.821 0.01 . . . . . . . 2 LEU HD . 28101 1 20 . 1 . 1 2 2 LEU HD21 H 1 0.821 0.01 . . . . . . . 2 LEU HD . 28101 1 21 . 1 . 1 2 2 LEU HD22 H 1 0.821 0.01 . . . . . . . 2 LEU HD . 28101 1 22 . 1 . 1 2 2 LEU HD23 H 1 0.821 0.01 . . . . . . . 2 LEU HD . 28101 1 23 . 1 . 1 2 2 LEU C C 13 176.784 0.00 . . . . . . . 2 LEU C . 28101 1 24 . 1 . 1 2 2 LEU CA C 13 58.270 0.14 . . . . . . . 2 LEU CA . 28101 1 25 . 1 . 1 2 2 LEU CB C 13 41.587 0.13 . . . . . . . 2 LEU CB . 28101 1 26 . 1 . 1 2 2 LEU CG C 13 26.479 0.03 . . . . . . . 2 LEU CG . 28101 1 27 . 1 . 1 2 2 LEU CD1 C 13 23.827 0.05 . . . . . . . 2 LEU CD . 28101 1 28 . 1 . 1 2 2 LEU CD2 C 13 23.827 0.05 . . . . . . . 2 LEU CD . 28101 1 29 . 1 . 1 2 2 LEU N N 15 120.976 0.12 . . . . . . . 2 LEU N . 28101 1 30 . 1 . 1 3 3 GLU H H 1 8.804 0.01 . . . . . . . 3 GLU H . 28101 1 31 . 1 . 1 3 3 GLU HA H 1 3.490 0.01 . . . . . . . 3 GLU HA . 28101 1 32 . 1 . 1 3 3 GLU HB2 H 1 2.091 0.04 . . . . . . . 3 GLU HB2 . 28101 1 33 . 1 . 1 3 3 GLU HB3 H 1 1.864 0.02 . . . . . . . 3 GLU HB3 . 28101 1 34 . 1 . 1 3 3 GLU HG2 H 1 2.202 0.02 . . . . . . . 3 GLU HG . 28101 1 35 . 1 . 1 3 3 GLU HG3 H 1 2.202 0.02 . . . . . . . 3 GLU HG . 28101 1 36 . 1 . 1 3 3 GLU C C 13 177.293 0.00 . . . . . . . 3 GLU C . 28101 1 37 . 1 . 1 3 3 GLU CA C 13 60.282 0.04 . . . . . . . 3 GLU CA . 28101 1 38 . 1 . 1 3 3 GLU CB C 13 29.681 0.06 . . . . . . . 3 GLU CB . 28101 1 39 . 1 . 1 3 3 GLU CG C 13 36.255 0.07 . . . . . . . 3 GLU CG . 28101 1 40 . 1 . 1 3 3 GLU N N 15 117.285 0.15 . . . . . . . 3 GLU N . 28101 1 41 . 1 . 1 4 4 LYS H H 1 6.972 0.03 . . . . . . . 4 LYS H . 28101 1 42 . 1 . 1 4 4 LYS HA H 1 3.896 0.01 . . . . . . . 4 LYS HA . 28101 1 43 . 1 . 1 4 4 LYS HB2 H 1 1.812 0.02 . . . . . . . 4 LYS HB . 28101 1 44 . 1 . 1 4 4 LYS HB3 H 1 1.812 0.02 . . . . . . . 4 LYS HB . 28101 1 45 . 1 . 1 4 4 LYS HG2 H 1 1.396 0.02 . . . . . . . 4 LYS HG . 28101 1 46 . 1 . 1 4 4 LYS HG3 H 1 1.396 0.02 . . . . . . . 4 LYS HG . 28101 1 47 . 1 . 1 4 4 LYS HD2 H 1 1.630 0.08 . . . . . . . 4 LYS HD . 28101 1 48 . 1 . 1 4 4 LYS HD3 H 1 1.630 0.08 . . . . . . . 4 LYS HD . 28101 1 49 . 1 . 1 4 4 LYS HE2 H 1 2.961 0.01 . . . . . . . 4 LYS HE . 28101 1 50 . 1 . 1 4 4 LYS HE3 H 1 2.961 0.01 . . . . . . . 4 LYS HE . 28101 1 51 . 1 . 1 4 4 LYS C C 13 178.326 0.00 . . . . . . . 4 LYS C . 28101 1 52 . 1 . 1 4 4 LYS CA C 13 58.965 0.04 . . . . . . . 4 LYS CA . 28101 1 53 . 1 . 1 4 4 LYS CB C 13 32.709 0.16 . . . . . . . 4 LYS CB . 28101 1 54 . 1 . 1 4 4 LYS CG C 13 24.907 0.14 . . . . . . . 4 LYS CG . 28101 1 55 . 1 . 1 4 4 LYS CD C 13 29.270 0.06 . . . . . . . 4 LYS CD . 28101 1 56 . 1 . 1 4 4 LYS CE C 13 42.104 0.03 . . . . . . . 4 LYS CE . 28101 1 57 . 1 . 1 4 4 LYS N N 15 116.585 0.12 . . . . . . . 4 LYS N . 28101 1 58 . 1 . 1 5 5 LEU H H 1 7.363 0.03 . . . . . . . 5 LEU H . 28101 1 59 . 1 . 1 5 5 LEU HA H 1 4.290 0.02 . . . . . . . 5 LEU HA . 28101 1 60 . 1 . 1 5 5 LEU HB2 H 1 1.331 0.01 . . . . . . . 5 LEU HB . 28101 1 61 . 1 . 1 5 5 LEU HB3 H 1 1.331 0.01 . . . . . . . 5 LEU HB . 28101 1 62 . 1 . 1 5 5 LEU HG H 1 0.396 0.02 . . . . . . . 5 LEU HG . 28101 1 63 . 1 . 1 5 5 LEU HD11 H 1 0.727 0.43 . . . . . . . 5 LEU HD . 28101 1 64 . 1 . 1 5 5 LEU HD12 H 1 0.727 0.43 . . . . . . . 5 LEU HD . 28101 1 65 . 1 . 1 5 5 LEU HD13 H 1 0.727 0.43 . . . . . . . 5 LEU HD . 28101 1 66 . 1 . 1 5 5 LEU HD21 H 1 0.727 0.43 . . . . . . . 5 LEU HD . 28101 1 67 . 1 . 1 5 5 LEU HD22 H 1 0.727 0.43 . . . . . . . 5 LEU HD . 28101 1 68 . 1 . 1 5 5 LEU HD23 H 1 0.727 0.43 . . . . . . . 5 LEU HD . 28101 1 69 . 1 . 1 5 5 LEU C C 13 180.717 0.00 . . . . . . . 5 LEU C . 28101 1 70 . 1 . 1 5 5 LEU CA C 13 56.952 0.06 . . . . . . . 5 LEU CA . 28101 1 71 . 1 . 1 5 5 LEU CB C 13 42.126 0.06 . . . . . . . 5 LEU CB . 28101 1 72 . 1 . 1 5 5 LEU CG C 13 25.261 0.02 . . . . . . . 5 LEU CG . 28101 1 73 . 1 . 1 5 5 LEU CD1 C 13 22.823 0.02 . . . . . . . 5 LEU CD1 . 28101 1 74 . 1 . 1 5 5 LEU CD2 C 13 22.863 0.00 . . . . . . . 5 LEU CD2 . 28101 1 75 . 1 . 1 5 5 LEU N N 15 119.336 0.12 . . . . . . . 5 LEU N . 28101 1 76 . 1 . 1 6 6 ILE H H 1 8.361 0.02 . . . . . . . 6 ILE H . 28101 1 77 . 1 . 1 6 6 ILE HA H 1 3.762 0.02 . . . . . . . 6 ILE HA . 28101 1 78 . 1 . 1 6 6 ILE HB H 1 1.471 0.01 . . . . . . . 6 ILE HB . 28101 1 79 . 1 . 1 6 6 ILE HG12 H 1 0.985 0.04 . . . . . . . 6 ILE HG12 . 28101 1 80 . 1 . 1 6 6 ILE HG13 H 1 0.939 0.24 . . . . . . . 6 ILE HG13 . 28101 1 81 . 1 . 1 6 6 ILE HG21 H 1 0.729 0.35 . . . . . . . 6 ILE HG2 . 28101 1 82 . 1 . 1 6 6 ILE HG22 H 1 0.729 0.35 . . . . . . . 6 ILE HG2 . 28101 1 83 . 1 . 1 6 6 ILE HG23 H 1 0.729 0.35 . . . . . . . 6 ILE HG2 . 28101 1 84 . 1 . 1 6 6 ILE HD11 H 1 0.552 0.14 . . . . . . . 6 ILE HD1 . 28101 1 85 . 1 . 1 6 6 ILE HD12 H 1 0.552 0.14 . . . . . . . 6 ILE HD1 . 28101 1 86 . 1 . 1 6 6 ILE HD13 H 1 0.552 0.14 . . . . . . . 6 ILE HD1 . 28101 1 87 . 1 . 1 6 6 ILE C C 13 175.584 0.00 . . . . . . . 6 ILE C . 28101 1 88 . 1 . 1 6 6 ILE CA C 13 61.751 0.68 . . . . . . . 6 ILE CA . 28101 1 89 . 1 . 1 6 6 ILE CB C 13 36.753 0.10 . . . . . . . 6 ILE CB . 28101 1 90 . 1 . 1 6 6 ILE CG1 C 13 27.929 0.05 . . . . . . . 6 ILE CG1 . 28101 1 91 . 1 . 1 6 6 ILE CG2 C 13 17.997 0.06 . . . . . . . 6 ILE CG2 . 28101 1 92 . 1 . 1 6 6 ILE CD1 C 13 12.201 0.13 . . . . . . . 6 ILE CD1 . 28101 1 93 . 1 . 1 6 6 ILE N N 15 117.691 0.11 . . . . . . . 6 ILE N . 28101 1 94 . 1 . 1 7 7 LYS H H 1 8.110 0.01 . . . . . . . 7 LYS H . 28101 1 95 . 1 . 1 7 7 LYS HA H 1 3.784 0.01 . . . . . . . 7 LYS HA . 28101 1 96 . 1 . 1 7 7 LYS HB2 H 1 1.843 0.01 . . . . . . . 7 LYS HB2 . 28101 1 97 . 1 . 1 7 7 LYS HB3 H 1 1.730 0.03 . . . . . . . 7 LYS HB3 . 28101 1 98 . 1 . 1 7 7 LYS HG2 H 1 1.233 0.02 . . . . . . . 7 LYS HG . 28101 1 99 . 1 . 1 7 7 LYS HG3 H 1 1.233 0.02 . . . . . . . 7 LYS HG . 28101 1 100 . 1 . 1 7 7 LYS HD2 H 1 1.594 0.02 . . . . . . . 7 LYS HD . 28101 1 101 . 1 . 1 7 7 LYS HD3 H 1 1.594 0.02 . . . . . . . 7 LYS HD . 28101 1 102 . 1 . 1 7 7 LYS HE2 H 1 2.966 0.01 . . . . . . . 7 LYS HE2 . 28101 1 103 . 1 . 1 7 7 LYS HE3 H 1 2.831 0.02 . . . . . . . 7 LYS HE3 . 28101 1 104 . 1 . 1 7 7 LYS C C 13 179.609 0.00 . . . . . . . 7 LYS C . 28101 1 105 . 1 . 1 7 7 LYS CA C 13 60.547 0.03 . . . . . . . 7 LYS CA . 28101 1 106 . 1 . 1 7 7 LYS CB C 13 31.725 0.01 . . . . . . . 7 LYS CB . 28101 1 107 . 1 . 1 7 7 LYS CG C 13 26.943 0.07 . . . . . . . 7 LYS CG . 28101 1 108 . 1 . 1 7 7 LYS CD C 13 29.355 0.04 . . . . . . . 7 LYS CD . 28101 1 109 . 1 . 1 7 7 LYS CE C 13 42.055 0.03 . . . . . . . 7 LYS CE . 28101 1 110 . 1 . 1 7 7 LYS N N 15 120.934 0.11 . . . . . . . 7 LYS N . 28101 1 111 . 1 . 1 8 8 ASN H H 1 8.003 0.01 . . . . . . . 8 ASN H . 28101 1 112 . 1 . 1 8 8 ASN HA H 1 4.454 0.01 . . . . . . . 8 ASN HA . 28101 1 113 . 1 . 1 8 8 ASN HB2 H 1 2.930 0.01 . . . . . . . 8 ASN HB2 . 28101 1 114 . 1 . 1 8 8 ASN HB3 H 1 2.658 0.01 . . . . . . . 8 ASN HB3 . 28101 1 115 . 1 . 1 8 8 ASN C C 13 176.959 0.00 . . . . . . . 8 ASN C . 28101 1 116 . 1 . 1 8 8 ASN CA C 13 55.865 0.06 . . . . . . . 8 ASN CA . 28101 1 117 . 1 . 1 8 8 ASN CB C 13 38.116 0.02 . . . . . . . 8 ASN CB . 28101 1 118 . 1 . 1 8 8 ASN N N 15 116.863 0.10 . . . . . . . 8 ASN N . 28101 1 119 . 1 . 1 9 9 PHE H H 1 8.118 0.01 . . . . . . . 9 PHE H . 28101 1 120 . 1 . 1 9 9 PHE HA H 1 4.325 0.02 . . . . . . . 9 PHE HA . 28101 1 121 . 1 . 1 9 9 PHE HB2 H 1 3.356 0.01 . . . . . . . 9 PHE HB2 . 28101 1 122 . 1 . 1 9 9 PHE HB3 H 1 3.087 0.02 . . . . . . . 9 PHE HB3 . 28101 1 123 . 1 . 1 9 9 PHE HD1 H 1 7.096 0.00 . . . . . . . 9 PHE HD . 28101 1 124 . 1 . 1 9 9 PHE HD2 H 1 7.096 0.00 . . . . . . . 9 PHE HD . 28101 1 125 . 1 . 1 9 9 PHE HE1 H 1 7.135 0.02 . . . . . . . 9 PHE HE . 28101 1 126 . 1 . 1 9 9 PHE HE2 H 1 7.135 0.02 . . . . . . . 9 PHE HE . 28101 1 127 . 1 . 1 9 9 PHE HZ H 1 6.952 0.01 . . . . . . . 9 PHE HZ . 28101 1 128 . 1 . 1 9 9 PHE C C 13 177.279 0.00 . . . . . . . 9 PHE C . 28101 1 129 . 1 . 1 9 9 PHE CA C 13 62.412 0.05 . . . . . . . 9 PHE CA . 28101 1 130 . 1 . 1 9 9 PHE CB C 13 40.026 0.10 . . . . . . . 9 PHE CB . 28101 1 131 . 1 . 1 9 9 PHE CD1 C 13 130.064 0.00 . . . . . . . 9 PHE CD . 28101 1 132 . 1 . 1 9 9 PHE CD2 C 13 130.064 0.00 . . . . . . . 9 PHE CD . 28101 1 133 . 1 . 1 9 9 PHE CE1 C 13 131.066 0.01 . . . . . . . 9 PHE CE1 . 28101 1 134 . 1 . 1 9 9 PHE CE2 C 13 131.132 0.00 . . . . . . . 9 PHE CE2 . 28101 1 135 . 1 . 1 9 9 PHE CZ C 13 128.203 0.07 . . . . . . . 9 PHE CZ . 28101 1 136 . 1 . 1 9 9 PHE N N 15 122.037 0.08 . . . . . . . 9 PHE N . 28101 1 137 . 1 . 1 10 10 VAL H H 1 8.751 0.01 . . . . . . . 10 VAL H . 28101 1 138 . 1 . 1 10 10 VAL HA H 1 3.475 0.01 . . . . . . . 10 VAL HA . 28101 1 139 . 1 . 1 10 10 VAL HB H 1 1.807 0.01 . . . . . . . 10 VAL HB . 28101 1 140 . 1 . 1 10 10 VAL HG11 H 1 1.072 0.01 . . . . . . . 10 VAL HG1 . 28101 1 141 . 1 . 1 10 10 VAL HG12 H 1 1.072 0.01 . . . . . . . 10 VAL HG1 . 28101 1 142 . 1 . 1 10 10 VAL HG13 H 1 1.072 0.01 . . . . . . . 10 VAL HG1 . 28101 1 143 . 1 . 1 10 10 VAL HG21 H 1 0.507 0.01 . . . . . . . 10 VAL HG2 . 28101 1 144 . 1 . 1 10 10 VAL HG22 H 1 0.507 0.01 . . . . . . . 10 VAL HG2 . 28101 1 145 . 1 . 1 10 10 VAL HG23 H 1 0.507 0.01 . . . . . . . 10 VAL HG2 . 28101 1 146 . 1 . 1 10 10 VAL C C 13 178.071 0.00 . . . . . . . 10 VAL C . 28101 1 147 . 1 . 1 10 10 VAL CA C 13 65.437 0.03 . . . . . . . 10 VAL CA . 28101 1 148 . 1 . 1 10 10 VAL CB C 13 30.928 0.02 . . . . . . . 10 VAL CB . 28101 1 149 . 1 . 1 10 10 VAL CG1 C 13 20.118 0.02 . . . . . . . 10 VAL CG1 . 28101 1 150 . 1 . 1 10 10 VAL CG2 C 13 21.859 0.02 . . . . . . . 10 VAL CG2 . 28101 1 151 . 1 . 1 10 10 VAL N N 15 111.955 0.07 . . . . . . . 10 VAL N . 28101 1 152 . 1 . 1 11 11 ALA H H 1 7.332 0.01 . . . . . . . 11 ALA H . 28101 1 153 . 1 . 1 11 11 ALA HA H 1 4.197 0.02 . . . . . . . 11 ALA HA . 28101 1 154 . 1 . 1 11 11 ALA HB1 H 1 1.492 0.03 . . . . . . . 11 ALA HB . 28101 1 155 . 1 . 1 11 11 ALA HB2 H 1 1.492 0.03 . . . . . . . 11 ALA HB . 28101 1 156 . 1 . 1 11 11 ALA HB3 H 1 1.492 0.03 . . . . . . . 11 ALA HB . 28101 1 157 . 1 . 1 11 11 ALA C C 13 180.185 0.00 . . . . . . . 11 ALA C . 28101 1 158 . 1 . 1 11 11 ALA CA C 13 54.928 0.07 . . . . . . . 11 ALA CA . 28101 1 159 . 1 . 1 11 11 ALA CB C 13 18.053 0.16 . . . . . . . 11 ALA CB . 28101 1 160 . 1 . 1 11 11 ALA N N 15 122.983 0.13 . . . . . . . 11 ALA N . 28101 1 161 . 1 . 1 12 12 TYR H H 1 7.681 0.01 . . . . . . . 12 TYR H . 28101 1 162 . 1 . 1 12 12 TYR HA H 1 4.240 0.01 . . . . . . . 12 TYR HA . 28101 1 163 . 1 . 1 12 12 TYR HB2 H 1 3.134 0.02 . . . . . . . 12 TYR HB2 . 28101 1 164 . 1 . 1 12 12 TYR HB3 H 1 3.080 0.03 . . . . . . . 12 TYR HB3 . 28101 1 165 . 1 . 1 12 12 TYR HD1 H 1 6.939 0.00 . . . . . . . 12 TYR HD . 28101 1 166 . 1 . 1 12 12 TYR HD2 H 1 6.939 0.00 . . . . . . . 12 TYR HD . 28101 1 167 . 1 . 1 12 12 TYR HE1 H 1 6.806 0.00 . . . . . . . 12 TYR HE . 28101 1 168 . 1 . 1 12 12 TYR HE2 H 1 6.806 0.00 . . . . . . . 12 TYR HE . 28101 1 169 . 1 . 1 12 12 TYR C C 13 177.291 0.00 . . . . . . . 12 TYR C . 28101 1 170 . 1 . 1 12 12 TYR CA C 13 59.959 0.04 . . . . . . . 12 TYR CA . 28101 1 171 . 1 . 1 12 12 TYR CB C 13 37.751 0.16 . . . . . . . 12 TYR CB . 28101 1 172 . 1 . 1 12 12 TYR CD1 C 13 133.352 0.04 . . . . . . . 12 TYR CD . 28101 1 173 . 1 . 1 12 12 TYR CD2 C 13 133.352 0.04 . . . . . . . 12 TYR CD . 28101 1 174 . 1 . 1 12 12 TYR CE1 C 13 118.211 0.01 . . . . . . . 12 TYR CE . 28101 1 175 . 1 . 1 12 12 TYR CE2 C 13 118.211 0.01 . . . . . . . 12 TYR CE . 28101 1 176 . 1 . 1 12 12 TYR N N 15 120.969 0.09 . . . . . . . 12 TYR N . 28101 1 177 . 1 . 1 13 13 MET H H 1 7.682 0.01 . . . . . . . 13 MET H . 28101 1 178 . 1 . 1 13 13 MET HA H 1 4.100 0.01 . . . . . . . 13 MET HA . 28101 1 179 . 1 . 1 13 13 MET HB2 H 1 1.914 0.05 . . . . . . . 13 MET HB2 . 28101 1 180 . 1 . 1 13 13 MET HB3 H 1 1.662 0.16 . . . . . . . 13 MET HB3 . 28101 1 181 . 1 . 1 13 13 MET HG2 H 1 2.064 0.02 . . . . . . . 13 MET HG . 28101 1 182 . 1 . 1 13 13 MET HG3 H 1 2.064 0.02 . . . . . . . 13 MET HG . 28101 1 183 . 1 . 1 13 13 MET C C 13 176.486 0.00 . . . . . . . 13 MET C . 28101 1 184 . 1 . 1 13 13 MET CA C 13 54.671 0.03 . . . . . . . 13 MET CA . 28101 1 185 . 1 . 1 13 13 MET CB C 13 32.722 0.11 . . . . . . . 13 MET CB . 28101 1 186 . 1 . 1 13 13 MET CG C 13 32.620 0.03 . . . . . . . 13 MET CG . 28101 1 187 . 1 . 1 13 13 MET N N 15 115.467 0.09 . . . . . . . 13 MET N . 28101 1 188 . 1 . 1 14 14 GLY H H 1 7.617 0.01 . . . . . . . 14 GLY H . 28101 1 189 . 1 . 1 14 14 GLY HA2 H 1 4.055 0.01 . . . . . . . 14 GLY HA2 . 28101 1 190 . 1 . 1 14 14 GLY HA3 H 1 3.943 0.02 . . . . . . . 14 GLY HA3 . 28101 1 191 . 1 . 1 14 14 GLY C C 13 175.671 0.00 . . . . . . . 14 GLY C . 28101 1 192 . 1 . 1 14 14 GLY CA C 13 46.317 0.03 . . . . . . . 14 GLY CA . 28101 1 193 . 1 . 1 14 14 GLY N N 15 107.524 0.10 . . . . . . . 14 GLY N . 28101 1 194 . 1 . 1 15 15 VAL H H 1 7.736 0.01 . . . . . . . 15 VAL H . 28101 1 195 . 1 . 1 15 15 VAL HA H 1 4.774 0.02 . . . . . . . 15 VAL HA . 28101 1 196 . 1 . 1 15 15 VAL HB H 1 2.466 0.02 . . . . . . . 15 VAL HB . 28101 1 197 . 1 . 1 15 15 VAL HG11 H 1 0.838 0.02 . . . . . . . 15 VAL HG1 . 28101 1 198 . 1 . 1 15 15 VAL HG12 H 1 0.838 0.02 . . . . . . . 15 VAL HG1 . 28101 1 199 . 1 . 1 15 15 VAL HG13 H 1 0.838 0.02 . . . . . . . 15 VAL HG1 . 28101 1 200 . 1 . 1 15 15 VAL HG21 H 1 0.720 0.12 . . . . . . . 15 VAL HG2 . 28101 1 201 . 1 . 1 15 15 VAL HG22 H 1 0.720 0.12 . . . . . . . 15 VAL HG2 . 28101 1 202 . 1 . 1 15 15 VAL HG23 H 1 0.720 0.12 . . . . . . . 15 VAL HG2 . 28101 1 203 . 1 . 1 15 15 VAL C C 13 176.052 0.00 . . . . . . . 15 VAL C . 28101 1 204 . 1 . 1 15 15 VAL CA C 13 59.815 0.04 . . . . . . . 15 VAL CA . 28101 1 205 . 1 . 1 15 15 VAL CB C 13 32.198 0.03 . . . . . . . 15 VAL CB . 28101 1 206 . 1 . 1 15 15 VAL CG1 C 13 21.047 0.00 . . . . . . . 15 VAL CG1 . 28101 1 207 . 1 . 1 15 15 VAL CG2 C 13 18.530 0.02 . . . . . . . 15 VAL CG2 . 28101 1 208 . 1 . 1 15 15 VAL N N 15 111.589 0.08 . . . . . . . 15 VAL N . 28101 1 209 . 1 . 1 16 16 ALA H H 1 7.965 0.01 . . . . . . . 16 ALA H . 28101 1 210 . 1 . 1 16 16 ALA HA H 1 3.824 0.01 . . . . . . . 16 ALA HA . 28101 1 211 . 1 . 1 16 16 ALA HB1 H 1 1.345 0.01 . . . . . . . 16 ALA HB . 28101 1 212 . 1 . 1 16 16 ALA HB2 H 1 1.345 0.01 . . . . . . . 16 ALA HB . 28101 1 213 . 1 . 1 16 16 ALA HB3 H 1 1.345 0.01 . . . . . . . 16 ALA HB . 28101 1 214 . 1 . 1 16 16 ALA C C 13 179.441 0.00 . . . . . . . 16 ALA C . 28101 1 215 . 1 . 1 16 16 ALA CA C 13 55.299 0.04 . . . . . . . 16 ALA CA . 28101 1 216 . 1 . 1 16 16 ALA CB C 13 18.773 0.10 . . . . . . . 16 ALA CB . 28101 1 217 . 1 . 1 16 16 ALA N N 15 124.972 0.10 . . . . . . . 16 ALA N . 28101 1 218 . 1 . 1 17 17 SER H H 1 8.404 0.01 . . . . . . . 17 SER H . 28101 1 219 . 1 . 1 17 17 SER HA H 1 4.310 0.02 . . . . . . . 17 SER HA . 28101 1 220 . 1 . 1 17 17 SER HB2 H 1 3.997 0.02 . . . . . . . 17 SER HB2 . 28101 1 221 . 1 . 1 17 17 SER HB3 H 1 3.862 0.02 . . . . . . . 17 SER HB3 . 28101 1 222 . 1 . 1 17 17 SER C C 13 174.659 0.00 . . . . . . . 17 SER C . 28101 1 223 . 1 . 1 17 17 SER CA C 13 60.242 0.16 . . . . . . . 17 SER CA . 28101 1 224 . 1 . 1 17 17 SER CB C 13 62.878 0.04 . . . . . . . 17 SER CB . 28101 1 225 . 1 . 1 17 17 SER N N 15 111.613 0.10 . . . . . . . 17 SER N . 28101 1 226 . 1 . 1 18 18 GLU H H 1 7.903 0.01 . . . . . . . 18 GLU H . 28101 1 227 . 1 . 1 18 18 GLU HA H 1 4.485 0.02 . . . . . . . 18 GLU HA . 28101 1 228 . 1 . 1 18 18 GLU HB2 H 1 2.338 0.02 . . . . . . . 18 GLU HB2 . 28101 1 229 . 1 . 1 18 18 GLU HB3 H 1 1.862 0.02 . . . . . . . 18 GLU HB3 . 28101 1 230 . 1 . 1 18 18 GLU HG2 H 1 2.189 0.02 . . . . . . . 18 GLU HG . 28101 1 231 . 1 . 1 18 18 GLU HG3 H 1 2.189 0.02 . . . . . . . 18 GLU HG . 28101 1 232 . 1 . 1 18 18 GLU C C 13 175.180 0.00 . . . . . . . 18 GLU C . 28101 1 233 . 1 . 1 18 18 GLU CA C 13 55.634 0.05 . . . . . . . 18 GLU CA . 28101 1 234 . 1 . 1 18 18 GLU CB C 13 30.657 0.02 . . . . . . . 18 GLU CB . 28101 1 235 . 1 . 1 18 18 GLU CG C 13 36.786 0.02 . . . . . . . 18 GLU CG . 28101 1 236 . 1 . 1 18 18 GLU N N 15 119.800 0.10 . . . . . . . 18 GLU N . 28101 1 237 . 1 . 1 19 19 LEU H H 1 7.235 0.01 . . . . . . . 19 LEU H . 28101 1 238 . 1 . 1 19 19 LEU HA H 1 4.704 0.01 . . . . . . . 19 LEU HA . 28101 1 239 . 1 . 1 19 19 LEU HB2 H 1 1.986 0.01 . . . . . . . 19 LEU HB2 . 28101 1 240 . 1 . 1 19 19 LEU HB3 H 1 1.441 0.09 . . . . . . . 19 LEU HB3 . 28101 1 241 . 1 . 1 19 19 LEU HG H 1 0.880 0.01 . . . . . . . 19 LEU HG . 28101 1 242 . 1 . 1 19 19 LEU HD11 H 1 1.195 0.14 . . . . . . . 19 LEU HD1 . 28101 1 243 . 1 . 1 19 19 LEU HD12 H 1 1.195 0.14 . . . . . . . 19 LEU HD1 . 28101 1 244 . 1 . 1 19 19 LEU HD13 H 1 1.195 0.14 . . . . . . . 19 LEU HD1 . 28101 1 245 . 1 . 1 19 19 LEU HD21 H 1 0.961 0.10 . . . . . . . 19 LEU HD2 . 28101 1 246 . 1 . 1 19 19 LEU HD22 H 1 0.961 0.10 . . . . . . . 19 LEU HD2 . 28101 1 247 . 1 . 1 19 19 LEU HD23 H 1 0.961 0.10 . . . . . . . 19 LEU HD2 . 28101 1 248 . 1 . 1 19 19 LEU C C 13 175.675 0.00 . . . . . . . 19 LEU C . 28101 1 249 . 1 . 1 19 19 LEU CA C 13 55.750 0.04 . . . . . . . 19 LEU CA . 28101 1 250 . 1 . 1 19 19 LEU CB C 13 43.098 0.04 . . . . . . . 19 LEU CB . 28101 1 251 . 1 . 1 19 19 LEU CG C 13 26.292 0.04 . . . . . . . 19 LEU CG . 28101 1 252 . 1 . 1 19 19 LEU CD1 C 13 24.861 0.03 . . . . . . . 19 LEU CD1 . 28101 1 253 . 1 . 1 19 19 LEU CD2 C 13 24.898 0.05 . . . . . . . 19 LEU CD2 . 28101 1 254 . 1 . 1 19 19 LEU N N 15 121.004 0.09 . . . . . . . 19 LEU N . 28101 1 255 . 1 . 1 20 20 GLU H H 1 9.412 0.01 . . . . . . . 20 GLU H . 28101 1 256 . 1 . 1 20 20 GLU HA H 1 4.716 0.01 . . . . . . . 20 GLU HA . 28101 1 257 . 1 . 1 20 20 GLU HB2 H 1 2.080 0.03 . . . . . . . 20 GLU HB2 . 28101 1 258 . 1 . 1 20 20 GLU HB3 H 1 1.925 0.03 . . . . . . . 20 GLU HB3 . 28101 1 259 . 1 . 1 20 20 GLU HG2 H 1 2.255 0.02 . . . . . . . 20 GLU HG . 28101 1 260 . 1 . 1 20 20 GLU HG3 H 1 2.255 0.02 . . . . . . . 20 GLU HG . 28101 1 261 . 1 . 1 20 20 GLU C C 13 174.104 0.00 . . . . . . . 20 GLU C . 28101 1 262 . 1 . 1 20 20 GLU CA C 13 54.963 0.05 . . . . . . . 20 GLU CA . 28101 1 263 . 1 . 1 20 20 GLU CB C 13 33.031 0.02 . . . . . . . 20 GLU CB . 28101 1 264 . 1 . 1 20 20 GLU CG C 13 36.328 0.03 . . . . . . . 20 GLU CG . 28101 1 265 . 1 . 1 20 20 GLU N N 15 128.295 0.15 . . . . . . . 20 GLU N . 28101 1 266 . 1 . 1 21 21 PHE H H 1 8.575 0.01 . . . . . . . 21 PHE H . 28101 1 267 . 1 . 1 21 21 PHE HA H 1 5.152 0.01 . . . . . . . 21 PHE HA . 28101 1 268 . 1 . 1 21 21 PHE HB2 H 1 2.981 0.02 . . . . . . . 21 PHE HB2 . 28101 1 269 . 1 . 1 21 21 PHE HB3 H 1 2.826 0.01 . . . . . . . 21 PHE HB3 . 28101 1 270 . 1 . 1 21 21 PHE HD1 H 1 6.819 0.01 . . . . . . . 21 PHE HD . 28101 1 271 . 1 . 1 21 21 PHE HD2 H 1 6.819 0.01 . . . . . . . 21 PHE HD . 28101 1 272 . 1 . 1 21 21 PHE HE1 H 1 7.087 0.01 . . . . . . . 21 PHE HE . 28101 1 273 . 1 . 1 21 21 PHE HE2 H 1 7.087 0.01 . . . . . . . 21 PHE HE . 28101 1 274 . 1 . 1 21 21 PHE HZ H 1 7.208 0.00 . . . . . . . 21 PHE HZ . 28101 1 275 . 1 . 1 21 21 PHE C C 13 175.603 0.00 . . . . . . . 21 PHE C . 28101 1 276 . 1 . 1 21 21 PHE CA C 13 55.629 0.11 . . . . . . . 21 PHE CA . 28101 1 277 . 1 . 1 21 21 PHE CB C 13 40.262 0.08 . . . . . . . 21 PHE CB . 28101 1 278 . 1 . 1 21 21 PHE CD1 C 13 131.811 0.06 . . . . . . . 21 PHE CD . 28101 1 279 . 1 . 1 21 21 PHE CD2 C 13 131.811 0.06 . . . . . . . 21 PHE CD . 28101 1 280 . 1 . 1 21 21 PHE CE1 C 13 131.141 0.26 . . . . . . . 21 PHE CE . 28101 1 281 . 1 . 1 21 21 PHE CE2 C 13 131.141 0.26 . . . . . . . 21 PHE CE . 28101 1 282 . 1 . 1 21 21 PHE CZ C 13 129.237 0.02 . . . . . . . 21 PHE CZ . 28101 1 283 . 1 . 1 21 21 PHE N N 15 122.804 0.13 . . . . . . . 21 PHE N . 28101 1 284 . 1 . 1 22 22 ASP H H 1 8.618 0.01 . . . . . . . 22 ASP H . 28101 1 285 . 1 . 1 22 22 ASP HA H 1 4.693 0.01 . . . . . . . 22 ASP HA . 28101 1 286 . 1 . 1 22 22 ASP HB2 H 1 2.757 0.01 . . . . . . . 22 ASP HB2 . 28101 1 287 . 1 . 1 22 22 ASP HB3 H 1 2.486 0.01 . . . . . . . 22 ASP HB3 . 28101 1 288 . 1 . 1 22 22 ASP C C 13 177.379 0.00 . . . . . . . 22 ASP C . 28101 1 289 . 1 . 1 22 22 ASP CA C 13 53.138 0.06 . . . . . . . 22 ASP CA . 28101 1 290 . 1 . 1 22 22 ASP CB C 13 42.892 0.04 . . . . . . . 22 ASP CB . 28101 1 291 . 1 . 1 22 22 ASP N N 15 126.675 0.09 . . . . . . . 22 ASP N . 28101 1 292 . 1 . 1 23 23 ALA H H 1 8.586 0.01 . . . . . . . 23 ALA H . 28101 1 293 . 1 . 1 23 23 ALA HA H 1 4.018 0.01 . . . . . . . 23 ALA HA . 28101 1 294 . 1 . 1 23 23 ALA HB1 H 1 1.399 0.02 . . . . . . . 23 ALA HB . 28101 1 295 . 1 . 1 23 23 ALA HB2 H 1 1.399 0.02 . . . . . . . 23 ALA HB . 28101 1 296 . 1 . 1 23 23 ALA HB3 H 1 1.399 0.02 . . . . . . . 23 ALA HB . 28101 1 297 . 1 . 1 23 23 ALA C C 13 178.070 0.00 . . . . . . . 23 ALA C . 28101 1 298 . 1 . 1 23 23 ALA CA C 13 54.419 0.12 . . . . . . . 23 ALA CA . 28101 1 299 . 1 . 1 23 23 ALA CB C 13 18.509 0.02 . . . . . . . 23 ALA CB . 28101 1 300 . 1 . 1 23 23 ALA N N 15 124.480 0.10 . . . . . . . 23 ALA N . 28101 1 301 . 1 . 1 24 24 ASP H H 1 8.393 0.02 . . . . . . . 24 ASP H . 28101 1 302 . 1 . 1 24 24 ASP HA H 1 4.447 0.01 . . . . . . . 24 ASP HA . 28101 1 303 . 1 . 1 24 24 ASP HB2 H 1 2.889 0.01 . . . . . . . 24 ASP HB2 . 28101 1 304 . 1 . 1 24 24 ASP HB3 H 1 2.559 0.01 . . . . . . . 24 ASP HB3 . 28101 1 305 . 1 . 1 24 24 ASP C C 13 177.185 0.00 . . . . . . . 24 ASP C . 28101 1 306 . 1 . 1 24 24 ASP CA C 13 53.463 0.03 . . . . . . . 24 ASP CA . 28101 1 307 . 1 . 1 24 24 ASP CB C 13 40.032 0.07 . . . . . . . 24 ASP CB . 28101 1 308 . 1 . 1 24 24 ASP N N 15 116.287 0.09 . . . . . . . 24 ASP N . 28101 1 309 . 1 . 1 25 25 GLY H H 1 8.116 0.01 . . . . . . . 25 GLY H . 28101 1 310 . 1 . 1 25 25 GLY HA2 H 1 4.204 0.01 . . . . . . . 25 GLY HA2 . 28101 1 311 . 1 . 1 25 25 GLY HA3 H 1 3.476 0.01 . . . . . . . 25 GLY HA3 . 28101 1 312 . 1 . 1 25 25 GLY C C 13 174.022 0.00 . . . . . . . 25 GLY C . 28101 1 313 . 1 . 1 25 25 GLY CA C 13 45.416 0.02 . . . . . . . 25 GLY CA . 28101 1 314 . 1 . 1 25 25 GLY N N 15 108.855 0.08 . . . . . . . 25 GLY N . 28101 1 315 . 1 . 1 26 26 SER H H 1 7.902 0.01 . . . . . . . 26 SER H . 28101 1 316 . 1 . 1 26 26 SER HA H 1 4.764 0.02 . . . . . . . 26 SER HA . 28101 1 317 . 1 . 1 26 26 SER HB2 H 1 3.821 0.01 . . . . . . . 26 SER HB2 . 28101 1 318 . 1 . 1 26 26 SER HB3 H 1 3.704 0.05 . . . . . . . 26 SER HB3 . 28101 1 319 . 1 . 1 26 26 SER C C 13 172.389 0.00 . . . . . . . 26 SER C . 28101 1 320 . 1 . 1 26 26 SER CA C 13 57.964 0.07 . . . . . . . 26 SER CA . 28101 1 321 . 1 . 1 26 26 SER CB C 13 64.687 0.04 . . . . . . . 26 SER CB . 28101 1 322 . 1 . 1 26 26 SER N N 15 116.126 0.07 . . . . . . . 26 SER N . 28101 1 323 . 1 . 1 27 27 TYR H H 1 8.976 0.06 . . . . . . . 27 TYR H . 28101 1 324 . 1 . 1 27 27 TYR HA H 1 5.313 0.01 . . . . . . . 27 TYR HA . 28101 1 325 . 1 . 1 27 27 TYR HB2 H 1 3.004 0.03 . . . . . . . 27 TYR HB . 28101 1 326 . 1 . 1 27 27 TYR HB3 H 1 3.004 0.03 . . . . . . . 27 TYR HB . 28101 1 327 . 1 . 1 27 27 TYR HD1 H 1 7.098 0.01 . . . . . . . 27 TYR HD . 28101 1 328 . 1 . 1 27 27 TYR HD2 H 1 7.098 0.01 . . . . . . . 27 TYR HD . 28101 1 329 . 1 . 1 27 27 TYR HE1 H 1 6.722 0.01 . . . . . . . 27 TYR HE . 28101 1 330 . 1 . 1 27 27 TYR HE2 H 1 6.722 0.01 . . . . . . . 27 TYR HE . 28101 1 331 . 1 . 1 27 27 TYR C C 13 175.667 0.00 . . . . . . . 27 TYR C . 28101 1 332 . 1 . 1 27 27 TYR CA C 13 57.799 0.05 . . . . . . . 27 TYR CA . 28101 1 333 . 1 . 1 27 27 TYR CB C 13 41.405 0.03 . . . . . . . 27 TYR CB . 28101 1 334 . 1 . 1 27 27 TYR CD1 C 13 133.322 0.09 . . . . . . . 27 TYR CD . 28101 1 335 . 1 . 1 27 27 TYR CD2 C 13 133.322 0.09 . . . . . . . 27 TYR CD . 28101 1 336 . 1 . 1 27 27 TYR CE1 C 13 118.024 0.11 . . . . . . . 27 TYR CE . 28101 1 337 . 1 . 1 27 27 TYR CE2 C 13 118.024 0.11 . . . . . . . 27 TYR CE . 28101 1 338 . 1 . 1 27 27 TYR N N 15 119.826 0.11 . . . . . . . 27 TYR N . 28101 1 339 . 1 . 1 28 28 VAL H H 1 11.567 4.69 . . . . . . . 28 VAL H . 28101 1 340 . 1 . 1 28 28 VAL HA H 1 5.477 0.01 . . . . . . . 28 VAL HA . 28101 1 341 . 1 . 1 28 28 VAL HB H 1 1.923 0.01 . . . . . . . 28 VAL HB . 28101 1 342 . 1 . 1 28 28 VAL HG11 H 1 0.935 0.03 . . . . . . . 28 VAL HG1 . 28101 1 343 . 1 . 1 28 28 VAL HG12 H 1 0.935 0.03 . . . . . . . 28 VAL HG1 . 28101 1 344 . 1 . 1 28 28 VAL HG13 H 1 0.935 0.03 . . . . . . . 28 VAL HG1 . 28101 1 345 . 1 . 1 28 28 VAL HG21 H 1 0.845 0.03 . . . . . . . 28 VAL HG2 . 28101 1 346 . 1 . 1 28 28 VAL HG22 H 1 0.845 0.03 . . . . . . . 28 VAL HG2 . 28101 1 347 . 1 . 1 28 28 VAL HG23 H 1 0.845 0.03 . . . . . . . 28 VAL HG2 . 28101 1 348 . 1 . 1 28 28 VAL C C 13 174.896 0.00 . . . . . . . 28 VAL C . 28101 1 349 . 1 . 1 28 28 VAL CA C 13 59.841 1.33 . . . . . . . 28 VAL CA . 28101 1 350 . 1 . 1 28 28 VAL CB C 13 35.247 0.04 . . . . . . . 28 VAL CB . 28101 1 351 . 1 . 1 28 28 VAL CG1 C 13 21.262 0.01 . . . . . . . 28 VAL CG1 . 28101 1 352 . 1 . 1 28 28 VAL CG2 C 13 21.244 0.03 . . . . . . . 28 VAL CG2 . 28101 1 353 . 1 . 1 28 28 VAL N N 15 121.700 0.12 . . . . . . . 28 VAL N . 28101 1 354 . 1 . 1 29 29 PHE H H 1 8.507 0.01 . . . . . . . 29 PHE H . 28101 1 355 . 1 . 1 29 29 PHE CA C 13 54.199 0.03 . . . . . . . 29 PHE CA . 28101 1 356 . 1 . 1 29 29 PHE CB C 13 37.889 0.00 . . . . . . . 29 PHE CB . 28101 1 357 . 1 . 1 29 29 PHE N N 15 120.677 0.12 . . . . . . . 29 PHE N . 28101 1 358 . 1 . 1 31 31 ILE HA H 1 4.645 0.01 . . . . . . . 31 ILE HA . 28101 1 359 . 1 . 1 31 31 ILE HB H 1 1.884 0.01 . . . . . . . 31 ILE HB . 28101 1 360 . 1 . 1 31 31 ILE HG12 H 1 1.466 0.04 . . . . . . . 31 ILE HG1 . 28101 1 361 . 1 . 1 31 31 ILE HG13 H 1 1.466 0.04 . . . . . . . 31 ILE HG1 . 28101 1 362 . 1 . 1 31 31 ILE HG21 H 1 0.950 0.39 . . . . . . . 31 ILE HG2 . 28101 1 363 . 1 . 1 31 31 ILE HG22 H 1 0.950 0.39 . . . . . . . 31 ILE HG2 . 28101 1 364 . 1 . 1 31 31 ILE HG23 H 1 0.950 0.39 . . . . . . . 31 ILE HG2 . 28101 1 365 . 1 . 1 31 31 ILE HD11 H 1 0.988 0.01 . . . . . . . 31 ILE HD1 . 28101 1 366 . 1 . 1 31 31 ILE HD12 H 1 0.988 0.01 . . . . . . . 31 ILE HD1 . 28101 1 367 . 1 . 1 31 31 ILE HD13 H 1 0.988 0.01 . . . . . . . 31 ILE HD1 . 28101 1 368 . 1 . 1 31 31 ILE C C 13 174.466 0.00 . . . . . . . 31 ILE C . 28101 1 369 . 1 . 1 31 31 ILE CA C 13 60.379 0.17 . . . . . . . 31 ILE CA . 28101 1 370 . 1 . 1 31 31 ILE CB C 13 39.771 0.04 . . . . . . . 31 ILE CB . 28101 1 371 . 1 . 1 31 31 ILE CG1 C 13 28.071 0.11 . . . . . . . 31 ILE CG1 . 28101 1 372 . 1 . 1 31 31 ILE CG2 C 13 18.636 0.08 . . . . . . . 31 ILE CG2 . 28101 1 373 . 1 . 1 31 31 ILE CD1 C 13 13.912 0.03 . . . . . . . 31 ILE CD1 . 28101 1 374 . 1 . 1 32 32 SER H H 1 8.442 0.01 . . . . . . . 32 SER H . 28101 1 375 . 1 . 1 32 32 SER HA H 1 4.662 0.01 . . . . . . . 32 SER HA . 28101 1 376 . 1 . 1 32 32 SER HB2 H 1 4.287 0.02 . . . . . . . 32 SER HB . 28101 1 377 . 1 . 1 32 32 SER HB3 H 1 4.287 0.02 . . . . . . . 32 SER HB . 28101 1 378 . 1 . 1 32 32 SER C C 13 172.096 0.00 . . . . . . . 32 SER C . 28101 1 379 . 1 . 1 32 32 SER CA C 13 56.697 0.17 . . . . . . . 32 SER CA . 28101 1 380 . 1 . 1 32 32 SER CB C 13 65.891 0.03 . . . . . . . 32 SER CB . 28101 1 381 . 1 . 1 32 32 SER N N 15 116.377 0.13 . . . . . . . 32 SER N . 28101 1 382 . 1 . 1 33 33 SER H H 1 8.822 0.01 . . . . . . . 33 SER H . 28101 1 383 . 1 . 1 33 33 SER HA H 1 4.269 0.01 . . . . . . . 33 SER HA . 28101 1 384 . 1 . 1 33 33 SER HB2 H 1 3.953 0.01 . . . . . . . 33 SER HB . 28101 1 385 . 1 . 1 33 33 SER HB3 H 1 3.953 0.01 . . . . . . . 33 SER HB . 28101 1 386 . 1 . 1 33 33 SER C C 13 174.799 0.00 . . . . . . . 33 SER C . 28101 1 387 . 1 . 1 33 33 SER CA C 13 61.087 0.10 . . . . . . . 33 SER CA . 28101 1 388 . 1 . 1 33 33 SER CB C 13 62.764 0.05 . . . . . . . 33 SER CB . 28101 1 389 . 1 . 1 33 33 SER N N 15 113.988 0.12 . . . . . . . 33 SER N . 28101 1 390 . 1 . 1 34 34 LEU H H 1 7.867 0.01 . . . . . . . 34 LEU H . 28101 1 391 . 1 . 1 34 34 LEU HA H 1 4.536 0.01 . . . . . . . 34 LEU HA . 28101 1 392 . 1 . 1 34 34 LEU HB2 H 1 1.585 0.02 . . . . . . . 34 LEU HB . 28101 1 393 . 1 . 1 34 34 LEU HB3 H 1 1.585 0.02 . . . . . . . 34 LEU HB . 28101 1 394 . 1 . 1 34 34 LEU HG H 1 1.568 0.03 . . . . . . . 34 LEU HG . 28101 1 395 . 1 . 1 34 34 LEU HD11 H 1 0.879 0.03 . . . . . . . 34 LEU HD1 . 28101 1 396 . 1 . 1 34 34 LEU HD12 H 1 0.879 0.03 . . . . . . . 34 LEU HD1 . 28101 1 397 . 1 . 1 34 34 LEU HD13 H 1 0.879 0.03 . . . . . . . 34 LEU HD1 . 28101 1 398 . 1 . 1 34 34 LEU HD21 H 1 0.836 0.03 . . . . . . . 34 LEU HD2 . 28101 1 399 . 1 . 1 34 34 LEU HD22 H 1 0.836 0.03 . . . . . . . 34 LEU HD2 . 28101 1 400 . 1 . 1 34 34 LEU HD23 H 1 0.836 0.03 . . . . . . . 34 LEU HD2 . 28101 1 401 . 1 . 1 34 34 LEU C C 13 176.328 0.00 . . . . . . . 34 LEU C . 28101 1 402 . 1 . 1 34 34 LEU CA C 13 55.380 0.03 . . . . . . . 34 LEU CA . 28101 1 403 . 1 . 1 34 34 LEU CB C 13 45.060 0.01 . . . . . . . 34 LEU CB . 28101 1 404 . 1 . 1 34 34 LEU CG C 13 27.119 0.13 . . . . . . . 34 LEU CG . 28101 1 405 . 1 . 1 34 34 LEU CD1 C 13 25.466 0.02 . . . . . . . 34 LEU CD1 . 28101 1 406 . 1 . 1 34 34 LEU CD2 C 13 23.559 0.02 . . . . . . . 34 LEU CD2 . 28101 1 407 . 1 . 1 34 34 LEU N N 15 118.687 0.09 . . . . . . . 34 LEU N . 28101 1 408 . 1 . 1 35 35 VAL H H 1 7.365 0.01 . . . . . . . 35 VAL H . 28101 1 409 . 1 . 1 35 35 VAL CA C 13 62.194 0.00 . . . . . . . 35 VAL CA . 28101 1 410 . 1 . 1 35 35 VAL CB C 13 33.984 0.00 . . . . . . . 35 VAL CB . 28101 1 411 . 1 . 1 35 35 VAL N N 15 118.372 0.10 . . . . . . . 35 VAL N . 28101 1 412 . 1 . 1 37 37 MET HA H 1 5.287 0.01 . . . . . . . 37 MET HA . 28101 1 413 . 1 . 1 37 37 MET HB2 H 1 1.360 0.25 . . . . . . . 37 MET HB2 . 28101 1 414 . 1 . 1 37 37 MET HB3 H 1 1.135 0.24 . . . . . . . 37 MET HB3 . 28101 1 415 . 1 . 1 37 37 MET HG2 H 1 2.158 0.02 . . . . . . . 37 MET HG2 . 28101 1 416 . 1 . 1 37 37 MET HG3 H 1 1.991 0.04 . . . . . . . 37 MET HG3 . 28101 1 417 . 1 . 1 37 37 MET C C 13 173.630 0.00 . . . . . . . 37 MET C . 28101 1 418 . 1 . 1 37 37 MET CA C 13 53.378 0.02 . . . . . . . 37 MET CA . 28101 1 419 . 1 . 1 37 37 MET CB C 13 35.331 0.04 . . . . . . . 37 MET CB . 28101 1 420 . 1 . 1 37 37 MET CG C 13 32.833 0.01 . . . . . . . 37 MET CG . 28101 1 421 . 1 . 1 38 38 ARG H H 1 8.982 0.01 . . . . . . . 38 ARG H . 28101 1 422 . 1 . 1 38 38 ARG HA H 1 5.662 0.01 . . . . . . . 38 ARG HA . 28101 1 423 . 1 . 1 38 38 ARG HB2 H 1 1.777 0.02 . . . . . . . 38 ARG HB . 28101 1 424 . 1 . 1 38 38 ARG HB3 H 1 1.777 0.02 . . . . . . . 38 ARG HB . 28101 1 425 . 1 . 1 38 38 ARG HG2 H 1 1.605 0.07 . . . . . . . 38 ARG HG2 . 28101 1 426 . 1 . 1 38 38 ARG HG3 H 1 1.414 0.05 . . . . . . . 38 ARG HG3 . 28101 1 427 . 1 . 1 38 38 ARG HD2 H 1 3.184 0.03 . . . . . . . 38 ARG HD2 . 28101 1 428 . 1 . 1 38 38 ARG HD3 H 1 2.958 0.01 . . . . . . . 38 ARG HD3 . 28101 1 429 . 1 . 1 38 38 ARG C C 13 175.753 0.00 . . . . . . . 38 ARG C . 28101 1 430 . 1 . 1 38 38 ARG CA C 13 54.140 0.04 . . . . . . . 38 ARG CA . 28101 1 431 . 1 . 1 38 38 ARG CB C 13 34.318 0.07 . . . . . . . 38 ARG CB . 28101 1 432 . 1 . 1 38 38 ARG CG C 13 28.165 0.05 . . . . . . . 38 ARG CG . 28101 1 433 . 1 . 1 38 38 ARG CD C 13 43.259 0.03 . . . . . . . 38 ARG CD . 28101 1 434 . 1 . 1 38 38 ARG N N 15 121.918 0.10 . . . . . . . 38 ARG N . 28101 1 435 . 1 . 1 39 39 VAL H H 1 9.560 0.01 . . . . . . . 39 VAL H . 28101 1 436 . 1 . 1 39 39 VAL HA H 1 5.334 0.01 . . . . . . . 39 VAL HA . 28101 1 437 . 1 . 1 39 39 VAL HB H 1 2.137 0.01 . . . . . . . 39 VAL HB . 28101 1 438 . 1 . 1 39 39 VAL HG11 H 1 1.113 0.01 . . . . . . . 39 VAL HG1 . 28101 1 439 . 1 . 1 39 39 VAL HG12 H 1 1.113 0.01 . . . . . . . 39 VAL HG1 . 28101 1 440 . 1 . 1 39 39 VAL HG13 H 1 1.113 0.01 . . . . . . . 39 VAL HG1 . 28101 1 441 . 1 . 1 39 39 VAL HG21 H 1 1.108 0.01 . . . . . . . 39 VAL HG2 . 28101 1 442 . 1 . 1 39 39 VAL HG22 H 1 1.108 0.01 . . . . . . . 39 VAL HG2 . 28101 1 443 . 1 . 1 39 39 VAL HG23 H 1 1.108 0.01 . . . . . . . 39 VAL HG2 . 28101 1 444 . 1 . 1 39 39 VAL C C 13 173.900 0.00 . . . . . . . 39 VAL C . 28101 1 445 . 1 . 1 39 39 VAL CA C 13 60.678 0.05 . . . . . . . 39 VAL CA . 28101 1 446 . 1 . 1 39 39 VAL CB C 13 35.353 0.03 . . . . . . . 39 VAL CB . 28101 1 447 . 1 . 1 39 39 VAL CG1 C 13 23.697 0.01 . . . . . . . 39 VAL CG1 . 28101 1 448 . 1 . 1 39 39 VAL CG2 C 13 21.953 0.04 . . . . . . . 39 VAL CG2 . 28101 1 449 . 1 . 1 39 39 VAL N N 15 124.349 0.12 . . . . . . . 39 VAL N . 28101 1 450 . 1 . 1 40 40 ARG H H 1 8.679 0.01 . . . . . . . 40 ARG H . 28101 1 451 . 1 . 1 40 40 ARG HA H 1 4.989 0.01 . . . . . . . 40 ARG HA . 28101 1 452 . 1 . 1 40 40 ARG HB2 H 1 1.744 0.04 . . . . . . . 40 ARG HB . 28101 1 453 . 1 . 1 40 40 ARG HB3 H 1 1.744 0.04 . . . . . . . 40 ARG HB . 28101 1 454 . 1 . 1 40 40 ARG HG2 H 1 1.548 0.02 . . . . . . . 40 ARG HG2 . 28101 1 455 . 1 . 1 40 40 ARG HG3 H 1 1.279 0.04 . . . . . . . 40 ARG HG3 . 28101 1 456 . 1 . 1 40 40 ARG HD2 H 1 3.097 0.03 . . . . . . . 40 ARG HD . 28101 1 457 . 1 . 1 40 40 ARG HD3 H 1 3.097 0.03 . . . . . . . 40 ARG HD . 28101 1 458 . 1 . 1 40 40 ARG C C 13 173.065 0.00 . . . . . . . 40 ARG C . 28101 1 459 . 1 . 1 40 40 ARG CA C 13 54.482 0.08 . . . . . . . 40 ARG CA . 28101 1 460 . 1 . 1 40 40 ARG CB C 13 34.444 0.02 . . . . . . . 40 ARG CB . 28101 1 461 . 1 . 1 40 40 ARG CG C 13 27.141 0.07 . . . . . . . 40 ARG CG . 28101 1 462 . 1 . 1 40 40 ARG CD C 13 43.399 0.00 . . . . . . . 40 ARG CD . 28101 1 463 . 1 . 1 40 40 ARG N N 15 124.300 0.10 . . . . . . . 40 ARG N . 28101 1 464 . 1 . 1 41 41 GLN H H 1 8.973 0.01 . . . . . . . 41 GLN H . 28101 1 465 . 1 . 1 41 41 GLN HA H 1 5.239 0.01 . . . . . . . 41 GLN HA . 28101 1 466 . 1 . 1 41 41 GLN HB2 H 1 2.133 0.04 . . . . . . . 41 GLN HB2 . 28101 1 467 . 1 . 1 41 41 GLN HB3 H 1 1.869 0.03 . . . . . . . 41 GLN HB3 . 28101 1 468 . 1 . 1 41 41 GLN HG2 H 1 2.382 0.02 . . . . . . . 41 GLN HG . 28101 1 469 . 1 . 1 41 41 GLN HG3 H 1 2.382 0.02 . . . . . . . 41 GLN HG . 28101 1 470 . 1 . 1 41 41 GLN C C 13 175.233 0.00 . . . . . . . 41 GLN C . 28101 1 471 . 1 . 1 41 41 GLN CA C 13 54.733 0.05 . . . . . . . 41 GLN CA . 28101 1 472 . 1 . 1 41 41 GLN CB C 13 31.703 0.01 . . . . . . . 41 GLN CB . 28101 1 473 . 1 . 1 41 41 GLN CG C 13 33.349 0.14 . . . . . . . 41 GLN CG . 28101 1 474 . 1 . 1 41 41 GLN N N 15 122.615 0.11 . . . . . . . 41 GLN N . 28101 1 475 . 1 . 1 42 42 ASN H H 1 8.835 0.01 . . . . . . . 42 ASN H . 28101 1 476 . 1 . 1 42 42 ASN HA H 1 4.918 0.01 . . . . . . . 42 ASN HA . 28101 1 477 . 1 . 1 42 42 ASN HB2 H 1 3.118 0.02 . . . . . . . 42 ASN HB2 . 28101 1 478 . 1 . 1 42 42 ASN HB3 H 1 2.819 0.03 . . . . . . . 42 ASN HB3 . 28101 1 479 . 1 . 1 42 42 ASN C C 13 174.134 0.00 . . . . . . . 42 ASN C . 28101 1 480 . 1 . 1 42 42 ASN CA C 13 51.586 0.08 . . . . . . . 42 ASN CA . 28101 1 481 . 1 . 1 42 42 ASN CB C 13 39.606 0.10 . . . . . . . 42 ASN CB . 28101 1 482 . 1 . 1 42 42 ASN N N 15 125.036 0.08 . . . . . . . 42 ASN N . 28101 1 483 . 1 . 1 43 43 ALA H H 1 8.555 0.01 . . . . . . . 43 ALA H . 28101 1 484 . 1 . 1 43 43 ALA HA H 1 4.155 0.01 . . . . . . . 43 ALA HA . 28101 1 485 . 1 . 1 43 43 ALA HB1 H 1 1.470 0.05 . . . . . . . 43 ALA HB . 28101 1 486 . 1 . 1 43 43 ALA HB2 H 1 1.470 0.05 . . . . . . . 43 ALA HB . 28101 1 487 . 1 . 1 43 43 ALA HB3 H 1 1.470 0.05 . . . . . . . 43 ALA HB . 28101 1 488 . 1 . 1 43 43 ALA C C 13 180.232 0.00 . . . . . . . 43 ALA C . 28101 1 489 . 1 . 1 43 43 ALA CA C 13 54.183 0.09 . . . . . . . 43 ALA CA . 28101 1 490 . 1 . 1 43 43 ALA CB C 13 18.590 0.15 . . . . . . . 43 ALA CB . 28101 1 491 . 1 . 1 43 43 ALA N N 15 123.285 0.15 . . . . . . . 43 ALA N . 28101 1 492 . 1 . 1 44 44 ASP H H 1 7.906 0.01 . . . . . . . 44 ASP H . 28101 1 493 . 1 . 1 44 44 ASP HA H 1 4.641 0.01 . . . . . . . 44 ASP HA . 28101 1 494 . 1 . 1 44 44 ASP HB2 H 1 2.782 0.01 . . . . . . . 44 ASP HB2 . 28101 1 495 . 1 . 1 44 44 ASP HB3 H 1 2.641 0.02 . . . . . . . 44 ASP HB3 . 28101 1 496 . 1 . 1 44 44 ASP C C 13 175.755 0.00 . . . . . . . 44 ASP C . 28101 1 497 . 1 . 1 44 44 ASP CA C 13 54.393 0.05 . . . . . . . 44 ASP CA . 28101 1 498 . 1 . 1 44 44 ASP CB C 13 40.538 0.02 . . . . . . . 44 ASP CB . 28101 1 499 . 1 . 1 44 44 ASP N N 15 117.528 0.08 . . . . . . . 44 ASP N . 28101 1 500 . 1 . 1 45 45 GLU H H 1 8.201 0.01 . . . . . . . 45 GLU H . 28101 1 501 . 1 . 1 45 45 GLU HA H 1 3.934 0.02 . . . . . . . 45 GLU HA . 28101 1 502 . 1 . 1 45 45 GLU HB2 H 1 2.356 0.01 . . . . . . . 45 GLU HB2 . 28101 1 503 . 1 . 1 45 45 GLU HB3 H 1 2.180 0.06 . . . . . . . 45 GLU HB3 . 28101 1 504 . 1 . 1 45 45 GLU HG2 H 1 2.223 0.02 . . . . . . . 45 GLU HG . 28101 1 505 . 1 . 1 45 45 GLU HG3 H 1 2.223 0.02 . . . . . . . 45 GLU HG . 28101 1 506 . 1 . 1 45 45 GLU C C 13 175.403 0.00 . . . . . . . 45 GLU C . 28101 1 507 . 1 . 1 45 45 GLU CA C 13 57.936 0.05 . . . . . . . 45 GLU CA . 28101 1 508 . 1 . 1 45 45 GLU CB C 13 28.238 0.03 . . . . . . . 45 GLU CB . 28101 1 509 . 1 . 1 45 45 GLU CG C 13 36.999 0.03 . . . . . . . 45 GLU CG . 28101 1 510 . 1 . 1 45 45 GLU N N 15 113.716 0.09 . . . . . . . 45 GLU N . 28101 1 511 . 1 . 1 46 46 GLU H H 1 7.815 0.01 . . . . . . . 46 GLU H . 28101 1 512 . 1 . 1 46 46 GLU HA H 1 4.331 0.04 . . . . . . . 46 GLU HA . 28101 1 513 . 1 . 1 46 46 GLU HB2 H 1 1.903 0.02 . . . . . . . 46 GLU HB . 28101 1 514 . 1 . 1 46 46 GLU HB3 H 1 1.903 0.02 . . . . . . . 46 GLU HB . 28101 1 515 . 1 . 1 46 46 GLU HG2 H 1 2.108 0.07 . . . . . . . 46 GLU HG . 28101 1 516 . 1 . 1 46 46 GLU HG3 H 1 2.108 0.07 . . . . . . . 46 GLU HG . 28101 1 517 . 1 . 1 46 46 GLU C C 13 175.166 0.00 . . . . . . . 46 GLU C . 28101 1 518 . 1 . 1 46 46 GLU CA C 13 56.866 0.06 . . . . . . . 46 GLU CA . 28101 1 519 . 1 . 1 46 46 GLU CB C 13 31.161 0.03 . . . . . . . 46 GLU CB . 28101 1 520 . 1 . 1 46 46 GLU CG C 13 37.212 0.02 . . . . . . . 46 GLU CG . 28101 1 521 . 1 . 1 46 46 GLU N N 15 118.885 0.09 . . . . . . . 46 GLU N . 28101 1 522 . 1 . 1 47 47 ILE H H 1 8.798 0.01 . . . . . . . 47 ILE H . 28101 1 523 . 1 . 1 47 47 ILE HA H 1 4.277 0.74 . . . . . . . 47 ILE HA . 28101 1 524 . 1 . 1 47 47 ILE HB H 1 1.619 0.01 . . . . . . . 47 ILE HB . 28101 1 525 . 1 . 1 47 47 ILE HG12 H 1 1.759 0.02 . . . . . . . 47 ILE HG1 . 28101 1 526 . 1 . 1 47 47 ILE HG13 H 1 1.759 0.02 . . . . . . . 47 ILE HG1 . 28101 1 527 . 1 . 1 47 47 ILE HG21 H 1 0.769 0.04 . . . . . . . 47 ILE HG2 . 28101 1 528 . 1 . 1 47 47 ILE HG22 H 1 0.769 0.04 . . . . . . . 47 ILE HG2 . 28101 1 529 . 1 . 1 47 47 ILE HG23 H 1 0.769 0.04 . . . . . . . 47 ILE HG2 . 28101 1 530 . 1 . 1 47 47 ILE HD11 H 1 1.070 0.99 . . . . . . . 47 ILE HD1 . 28101 1 531 . 1 . 1 47 47 ILE HD12 H 1 1.070 0.99 . . . . . . . 47 ILE HD1 . 28101 1 532 . 1 . 1 47 47 ILE HD13 H 1 1.070 0.99 . . . . . . . 47 ILE HD1 . 28101 1 533 . 1 . 1 47 47 ILE C C 13 174.200 0.00 . . . . . . . 47 ILE C . 28101 1 534 . 1 . 1 47 47 ILE CA C 13 60.946 0.03 . . . . . . . 47 ILE CA . 28101 1 535 . 1 . 1 47 47 ILE CB C 13 39.636 0.03 . . . . . . . 47 ILE CB . 28101 1 536 . 1 . 1 47 47 ILE CG1 C 13 28.882 0.01 . . . . . . . 47 ILE CG1 . 28101 1 537 . 1 . 1 47 47 ILE CG2 C 13 17.915 0.01 . . . . . . . 47 ILE CG2 . 28101 1 538 . 1 . 1 47 47 ILE CD1 C 13 14.286 0.01 . . . . . . . 47 ILE CD1 . 28101 1 539 . 1 . 1 47 47 ILE N N 15 123.437 0.09 . . . . . . . 47 ILE N . 28101 1 540 . 1 . 1 48 48 ILE H H 1 9.166 0.01 . . . . . . . 48 ILE H . 28101 1 541 . 1 . 1 48 48 ILE HA H 1 4.587 0.01 . . . . . . . 48 ILE HA . 28101 1 542 . 1 . 1 48 48 ILE HB H 1 1.782 0.01 . . . . . . . 48 ILE HB . 28101 1 543 . 1 . 1 48 48 ILE HG12 H 1 1.366 0.07 . . . . . . . 48 ILE HG12 . 28101 1 544 . 1 . 1 48 48 ILE HG13 H 1 1.134 0.07 . . . . . . . 48 ILE HG13 . 28101 1 545 . 1 . 1 48 48 ILE HG21 H 1 0.756 0.03 . . . . . . . 48 ILE HG2 . 28101 1 546 . 1 . 1 48 48 ILE HG22 H 1 0.756 0.03 . . . . . . . 48 ILE HG2 . 28101 1 547 . 1 . 1 48 48 ILE HG23 H 1 0.756 0.03 . . . . . . . 48 ILE HG2 . 28101 1 548 . 1 . 1 48 48 ILE HD11 H 1 0.716 0.01 . . . . . . . 48 ILE HD1 . 28101 1 549 . 1 . 1 48 48 ILE HD12 H 1 0.716 0.01 . . . . . . . 48 ILE HD1 . 28101 1 550 . 1 . 1 48 48 ILE HD13 H 1 0.716 0.01 . . . . . . . 48 ILE HD1 . 28101 1 551 . 1 . 1 48 48 ILE C C 13 176.151 0.00 . . . . . . . 48 ILE C . 28101 1 552 . 1 . 1 48 48 ILE CA C 13 60.136 0.13 . . . . . . . 48 ILE CA . 28101 1 553 . 1 . 1 48 48 ILE CB C 13 38.570 0.03 . . . . . . . 48 ILE CB . 28101 1 554 . 1 . 1 48 48 ILE CG1 C 13 27.517 0.01 . . . . . . . 48 ILE CG1 . 28101 1 555 . 1 . 1 48 48 ILE CG2 C 13 18.400 0.01 . . . . . . . 48 ILE CG2 . 28101 1 556 . 1 . 1 48 48 ILE CD1 C 13 12.559 0.01 . . . . . . . 48 ILE CD1 . 28101 1 557 . 1 . 1 48 48 ILE N N 15 126.735 0.11 . . . . . . . 48 ILE N . 28101 1 558 . 1 . 1 49 49 ILE H H 1 9.123 0.01 . . . . . . . 49 ILE H . 28101 1 559 . 1 . 1 49 49 ILE HA H 1 4.627 0.03 . . . . . . . 49 ILE HA . 28101 1 560 . 1 . 1 49 49 ILE HB H 1 1.784 0.01 . . . . . . . 49 ILE HB . 28101 1 561 . 1 . 1 49 49 ILE HG12 H 1 1.012 0.17 . . . . . . . 49 ILE HG1 . 28101 1 562 . 1 . 1 49 49 ILE HG13 H 1 1.012 0.17 . . . . . . . 49 ILE HG1 . 28101 1 563 . 1 . 1 49 49 ILE HG21 H 1 0.797 0.03 . . . . . . . 49 ILE HG2 . 28101 1 564 . 1 . 1 49 49 ILE HG22 H 1 0.797 0.03 . . . . . . . 49 ILE HG2 . 28101 1 565 . 1 . 1 49 49 ILE HG23 H 1 0.797 0.03 . . . . . . . 49 ILE HG2 . 28101 1 566 . 1 . 1 49 49 ILE HD11 H 1 0.579 0.04 . . . . . . . 49 ILE HD1 . 28101 1 567 . 1 . 1 49 49 ILE HD12 H 1 0.579 0.04 . . . . . . . 49 ILE HD1 . 28101 1 568 . 1 . 1 49 49 ILE HD13 H 1 0.579 0.04 . . . . . . . 49 ILE HD1 . 28101 1 569 . 1 . 1 49 49 ILE C C 13 174.434 0.00 . . . . . . . 49 ILE C . 28101 1 570 . 1 . 1 49 49 ILE CA C 13 60.574 0.20 . . . . . . . 49 ILE CA . 28101 1 571 . 1 . 1 49 49 ILE CB C 13 40.236 0.04 . . . . . . . 49 ILE CB . 28101 1 572 . 1 . 1 49 49 ILE CG1 C 13 27.456 0.13 . . . . . . . 49 ILE CG1 . 28101 1 573 . 1 . 1 49 49 ILE CG2 C 13 18.551 0.01 . . . . . . . 49 ILE CG2 . 28101 1 574 . 1 . 1 49 49 ILE CD1 C 13 14.847 0.01 . . . . . . . 49 ILE CD1 . 28101 1 575 . 1 . 1 49 49 ILE N N 15 129.333 0.10 . . . . . . . 49 ILE N . 28101 1 576 . 1 . 1 50 50 SER H H 1 9.392 0.39 . . . . . . . 50 SER H . 28101 1 577 . 1 . 1 50 50 SER HA H 1 5.611 0.02 . . . . . . . 50 SER HA . 28101 1 578 . 1 . 1 50 50 SER HB2 H 1 3.712 0.03 . . . . . . . 50 SER HB2 . 28101 1 579 . 1 . 1 50 50 SER HB3 H 1 3.504 0.03 . . . . . . . 50 SER HB3 . 28101 1 580 . 1 . 1 50 50 SER CA C 13 57.388 2.55 . . . . . . . 50 SER CA . 28101 1 581 . 1 . 1 50 50 SER CB C 13 64.719 2.46 . . . . . . . 50 SER CB . 28101 1 582 . 1 . 1 50 50 SER N N 15 121.120 0.53 . . . . . . . 50 SER N . 28101 1 583 . 1 . 1 51 51 ALA H H 1 9.204 0.05 . . . . . . . 51 ALA H . 28101 1 584 . 1 . 1 51 51 ALA CA C 13 51.725 1.24 . . . . . . . 51 ALA CA . 28101 1 585 . 1 . 1 51 51 ALA CB C 13 19.290 0.00 . . . . . . . 51 ALA CB . 28101 1 586 . 1 . 1 51 51 ALA N N 15 125.648 1.63 . . . . . . . 51 ALA N . 28101 1 587 . 1 . 1 52 52 PHE H H 1 7.890 0.01 . . . . . . . 52 PHE H . 28101 1 588 . 1 . 1 52 52 PHE CA C 13 55.114 0.00 . . . . . . . 52 PHE CA . 28101 1 589 . 1 . 1 52 52 PHE CB C 13 42.432 0.02 . . . . . . . 52 PHE CB . 28101 1 590 . 1 . 1 52 52 PHE N N 15 120.827 0.15 . . . . . . . 52 PHE N . 28101 1 591 . 1 . 1 53 53 LEU H H 1 7.992 0.00 . . . . . . . 53 LEU H . 28101 1 592 . 1 . 1 53 53 LEU HA H 1 4.326 0.01 . . . . . . . 53 LEU HA . 28101 1 593 . 1 . 1 53 53 LEU HB2 H 1 1.578 0.02 . . . . . . . 53 LEU HB . 28101 1 594 . 1 . 1 53 53 LEU HB3 H 1 1.578 0.02 . . . . . . . 53 LEU HB . 28101 1 595 . 1 . 1 53 53 LEU HG H 1 1.548 0.02 . . . . . . . 53 LEU HG . 28101 1 596 . 1 . 1 53 53 LEU HD11 H 1 0.879 0.02 . . . . . . . 53 LEU HD1 . 28101 1 597 . 1 . 1 53 53 LEU HD12 H 1 0.879 0.02 . . . . . . . 53 LEU HD1 . 28101 1 598 . 1 . 1 53 53 LEU HD13 H 1 0.879 0.02 . . . . . . . 53 LEU HD1 . 28101 1 599 . 1 . 1 53 53 LEU HD21 H 1 0.807 0.04 . . . . . . . 53 LEU HD2 . 28101 1 600 . 1 . 1 53 53 LEU HD22 H 1 0.807 0.04 . . . . . . . 53 LEU HD2 . 28101 1 601 . 1 . 1 53 53 LEU HD23 H 1 0.807 0.04 . . . . . . . 53 LEU HD2 . 28101 1 602 . 1 . 1 53 53 LEU C C 13 177.842 0.00 . . . . . . . 53 LEU C . 28101 1 603 . 1 . 1 53 53 LEU CA C 13 55.204 0.06 . . . . . . . 53 LEU CA . 28101 1 604 . 1 . 1 53 53 LEU CB C 13 42.478 0.03 . . . . . . . 53 LEU CB . 28101 1 605 . 1 . 1 53 53 LEU CG C 13 26.955 0.02 . . . . . . . 53 LEU CG . 28101 1 606 . 1 . 1 53 53 LEU CD1 C 13 24.983 0.00 . . . . . . . 53 LEU CD1 . 28101 1 607 . 1 . 1 53 53 LEU CD2 C 13 23.308 0.06 . . . . . . . 53 LEU CD2 . 28101 1 608 . 1 . 1 53 53 LEU N N 15 121.169 0.01 . . . . . . . 53 LEU N . 28101 1 609 . 1 . 1 54 54 GLY H H 1 8.361 0.01 . . . . . . . 54 GLY H . 28101 1 610 . 1 . 1 54 54 GLY HA2 H 1 3.930 0.01 . . . . . . . 54 GLY HA . 28101 1 611 . 1 . 1 54 54 GLY HA3 H 1 3.930 0.01 . . . . . . . 54 GLY HA . 28101 1 612 . 1 . 1 54 54 GLY C C 13 173.905 0.00 . . . . . . . 54 GLY C . 28101 1 613 . 1 . 1 54 54 GLY CA C 13 45.386 0.05 . . . . . . . 54 GLY CA . 28101 1 614 . 1 . 1 54 54 GLY N N 15 109.372 0.11 . . . . . . . 54 GLY N . 28101 1 615 . 1 . 1 55 55 GLU H H 1 8.070 0.01 . . . . . . . 55 GLU H . 28101 1 616 . 1 . 1 55 55 GLU HA H 1 4.245 0.02 . . . . . . . 55 GLU HA . 28101 1 617 . 1 . 1 55 55 GLU HB2 H 1 1.949 0.01 . . . . . . . 55 GLU HB . 28101 1 618 . 1 . 1 55 55 GLU HB3 H 1 1.949 0.01 . . . . . . . 55 GLU HB . 28101 1 619 . 1 . 1 55 55 GLU HG2 H 1 2.228 0.01 . . . . . . . 55 GLU HG . 28101 1 620 . 1 . 1 55 55 GLU HG3 H 1 2.228 0.01 . . . . . . . 55 GLU HG . 28101 1 621 . 1 . 1 55 55 GLU C C 13 176.062 0.00 . . . . . . . 55 GLU C . 28101 1 622 . 1 . 1 55 55 GLU CA C 13 56.539 0.12 . . . . . . . 55 GLU CA . 28101 1 623 . 1 . 1 55 55 GLU CB C 13 30.356 0.06 . . . . . . . 55 GLU CB . 28101 1 624 . 1 . 1 55 55 GLU CG C 13 36.309 0.03 . . . . . . . 55 GLU CG . 28101 1 625 . 1 . 1 55 55 GLU N N 15 121.382 0.10 . . . . . . . 55 GLU N . 28101 1 626 . 1 . 1 56 56 ILE H H 1 8.204 0.01 . . . . . . . 56 ILE H . 28101 1 627 . 1 . 1 56 56 ILE CA C 13 60.950 0.00 . . . . . . . 56 ILE CA . 28101 1 628 . 1 . 1 56 56 ILE CB C 13 38.550 0.00 . . . . . . . 56 ILE CB . 28101 1 629 . 1 . 1 56 56 ILE N N 15 123.343 0.11 . . . . . . . 56 ILE N . 28101 1 630 . 1 . 1 57 57 PRO HA H 1 4.416 0.01 . . . . . . . 57 PRO HA . 28101 1 631 . 1 . 1 57 57 PRO HB2 H 1 1.874 0.05 . . . . . . . 57 PRO HB . 28101 1 632 . 1 . 1 57 57 PRO HB3 H 1 1.874 0.05 . . . . . . . 57 PRO HB . 28101 1 633 . 1 . 1 57 57 PRO HG2 H 1 1.976 0.06 . . . . . . . 57 PRO HG . 28101 1 634 . 1 . 1 57 57 PRO HG3 H 1 1.976 0.06 . . . . . . . 57 PRO HG . 28101 1 635 . 1 . 1 57 57 PRO HD2 H 1 3.147 0.62 . . . . . . . 57 PRO HD . 28101 1 636 . 1 . 1 57 57 PRO HD3 H 1 3.147 0.62 . . . . . . . 57 PRO HD . 28101 1 637 . 1 . 1 57 57 PRO C C 13 176.970 0.00 . . . . . . . 57 PRO C . 28101 1 638 . 1 . 1 57 57 PRO CA C 13 63.036 0.03 . . . . . . . 57 PRO CA . 28101 1 639 . 1 . 1 57 57 PRO CB C 13 32.296 0.01 . . . . . . . 57 PRO CB . 28101 1 640 . 1 . 1 57 57 PRO CG C 13 27.731 0.06 . . . . . . . 57 PRO CG . 28101 1 641 . 1 . 1 57 57 PRO CD C 13 51.044 0.06 . . . . . . . 57 PRO CD . 28101 1 642 . 1 . 1 58 58 ALA H H 1 8.565 0.01 . . . . . . . 58 ALA H . 28101 1 643 . 1 . 1 58 58 ALA HA H 1 4.162 0.03 . . . . . . . 58 ALA HA . 28101 1 644 . 1 . 1 58 58 ALA HB1 H 1 1.436 0.01 . . . . . . . 58 ALA HB . 28101 1 645 . 1 . 1 58 58 ALA HB2 H 1 1.436 0.01 . . . . . . . 58 ALA HB . 28101 1 646 . 1 . 1 58 58 ALA HB3 H 1 1.436 0.01 . . . . . . . 58 ALA HB . 28101 1 647 . 1 . 1 58 58 ALA C C 13 178.159 0.00 . . . . . . . 58 ALA C . 28101 1 648 . 1 . 1 58 58 ALA CA C 13 54.025 0.10 . . . . . . . 58 ALA CA . 28101 1 649 . 1 . 1 58 58 ALA CB C 13 18.494 0.16 . . . . . . . 58 ALA CB . 28101 1 650 . 1 . 1 58 58 ALA N N 15 124.498 0.12 . . . . . . . 58 ALA N . 28101 1 651 . 1 . 1 59 59 SER H H 1 7.889 0.01 . . . . . . . 59 SER H . 28101 1 652 . 1 . 1 59 59 SER HA H 1 4.269 0.01 . . . . . . . 59 SER HA . 28101 1 653 . 1 . 1 59 59 SER HB2 H 1 4.004 0.01 . . . . . . . 59 SER HB2 . 28101 1 654 . 1 . 1 59 59 SER HB3 H 1 3.874 0.07 . . . . . . . 59 SER HB3 . 28101 1 655 . 1 . 1 59 59 SER C C 13 174.469 0.00 . . . . . . . 59 SER C . 28101 1 656 . 1 . 1 59 59 SER CA C 13 58.401 0.04 . . . . . . . 59 SER CA . 28101 1 657 . 1 . 1 59 59 SER CB C 13 63.226 0.03 . . . . . . . 59 SER CB . 28101 1 658 . 1 . 1 59 59 SER N N 15 109.857 0.10 . . . . . . . 59 SER N . 28101 1 659 . 1 . 1 60 60 MET H H 1 7.845 0.01 . . . . . . . 60 MET H . 28101 1 660 . 1 . 1 60 60 MET CA C 13 56.008 0.17 . . . . . . . 60 MET CA . 28101 1 661 . 1 . 1 60 60 MET CB C 13 32.349 1.37 . . . . . . . 60 MET CB . 28101 1 662 . 1 . 1 60 60 MET N N 15 122.274 0.09 . . . . . . . 60 MET N . 28101 1 663 . 1 . 1 61 61 ASP H H 1 8.329 0.02 . . . . . . . 61 ASP H . 28101 1 664 . 1 . 1 61 61 ASP HA H 1 4.136 0.00 . . . . . . . 61 ASP HA . 28101 1 665 . 1 . 1 61 61 ASP CA C 13 56.115 0.13 . . . . . . . 61 ASP CA . 28101 1 666 . 1 . 1 61 61 ASP CB C 13 42.203 0.02 . . . . . . . 61 ASP CB . 28101 1 667 . 1 . 1 61 61 ASP N N 15 123.480 0.02 . . . . . . . 61 ASP N . 28101 1 668 . 1 . 1 62 62 ILE H H 1 8.119 0.00 . . . . . . . 62 ILE H . 28101 1 669 . 1 . 1 62 62 ILE HA H 1 3.889 0.01 . . . . . . . 62 ILE HA . 28101 1 670 . 1 . 1 62 62 ILE HB H 1 1.872 0.01 . . . . . . . 62 ILE HB . 28101 1 671 . 1 . 1 62 62 ILE HG12 H 1 1.455 0.01 . . . . . . . 62 ILE HG12 . 28101 1 672 . 1 . 1 62 62 ILE HG13 H 1 1.228 0.01 . . . . . . . 62 ILE HG13 . 28101 1 673 . 1 . 1 62 62 ILE HG21 H 1 0.917 0.01 . . . . . . . 62 ILE HG2 . 28101 1 674 . 1 . 1 62 62 ILE HG22 H 1 0.917 0.01 . . . . . . . 62 ILE HG2 . 28101 1 675 . 1 . 1 62 62 ILE HG23 H 1 0.917 0.01 . . . . . . . 62 ILE HG2 . 28101 1 676 . 1 . 1 62 62 ILE HD11 H 1 0.822 0.01 . . . . . . . 62 ILE HD1 . 28101 1 677 . 1 . 1 62 62 ILE HD12 H 1 0.822 0.01 . . . . . . . 62 ILE HD1 . 28101 1 678 . 1 . 1 62 62 ILE HD13 H 1 0.822 0.01 . . . . . . . 62 ILE HD1 . 28101 1 679 . 1 . 1 62 62 ILE C C 13 176.688 0.00 . . . . . . . 62 ILE C . 28101 1 680 . 1 . 1 62 62 ILE CA C 13 62.930 1.51 . . . . . . . 62 ILE CA . 28101 1 681 . 1 . 1 62 62 ILE CB C 13 38.351 0.18 . . . . . . . 62 ILE CB . 28101 1 682 . 1 . 1 62 62 ILE CG1 C 13 28.362 0.01 . . . . . . . 62 ILE CG1 . 28101 1 683 . 1 . 1 62 62 ILE CG2 C 13 18.095 0.01 . . . . . . . 62 ILE CG2 . 28101 1 684 . 1 . 1 62 62 ILE CD1 C 13 13.542 0.04 . . . . . . . 62 ILE CD1 . 28101 1 685 . 1 . 1 62 62 ILE N N 15 118.243 0.04 . . . . . . . 62 ILE N . 28101 1 686 . 1 . 1 63 63 GLU H H 1 8.273 0.01 . . . . . . . 63 GLU H . 28101 1 687 . 1 . 1 63 63 GLU HA H 1 4.081 0.02 . . . . . . . 63 GLU HA . 28101 1 688 . 1 . 1 63 63 GLU HB2 H 1 2.074 0.06 . . . . . . . 63 GLU HB . 28101 1 689 . 1 . 1 63 63 GLU HB3 H 1 2.074 0.06 . . . . . . . 63 GLU HB . 28101 1 690 . 1 . 1 63 63 GLU HG2 H 1 2.336 0.03 . . . . . . . 63 GLU HG2 . 28101 1 691 . 1 . 1 63 63 GLU HG3 H 1 2.228 0.04 . . . . . . . 63 GLU HG3 . 28101 1 692 . 1 . 1 63 63 GLU C C 13 179.797 0.00 . . . . . . . 63 GLU C . 28101 1 693 . 1 . 1 63 63 GLU CA C 13 59.771 0.04 . . . . . . . 63 GLU CA . 28101 1 694 . 1 . 1 63 63 GLU CB C 13 29.163 0.05 . . . . . . . 63 GLU CB . 28101 1 695 . 1 . 1 63 63 GLU CG C 13 36.791 0.02 . . . . . . . 63 GLU CG . 28101 1 696 . 1 . 1 63 63 GLU N N 15 121.556 0.11 . . . . . . . 63 GLU N . 28101 1 697 . 1 . 1 64 64 LYS H H 1 7.931 0.01 . . . . . . . 64 LYS H . 28101 1 698 . 1 . 1 64 64 LYS HA H 1 4.111 0.01 . . . . . . . 64 LYS HA . 28101 1 699 . 1 . 1 64 64 LYS HB2 H 1 1.823 0.02 . . . . . . . 64 LYS HB2 . 28101 1 700 . 1 . 1 64 64 LYS HB3 H 1 1.703 0.05 . . . . . . . 64 LYS HB3 . 28101 1 701 . 1 . 1 64 64 LYS HG2 H 1 1.383 0.01 . . . . . . . 64 LYS HG . 28101 1 702 . 1 . 1 64 64 LYS HG3 H 1 1.383 0.01 . . . . . . . 64 LYS HG . 28101 1 703 . 1 . 1 64 64 LYS HD2 H 1 1.594 0.05 . . . . . . . 64 LYS HD . 28101 1 704 . 1 . 1 64 64 LYS HD3 H 1 1.594 0.05 . . . . . . . 64 LYS HD . 28101 1 705 . 1 . 1 64 64 LYS HE2 H 1 2.964 0.01 . . . . . . . 64 LYS HE . 28101 1 706 . 1 . 1 64 64 LYS HE3 H 1 2.964 0.01 . . . . . . . 64 LYS HE . 28101 1 707 . 1 . 1 64 64 LYS C C 13 178.890 0.00 . . . . . . . 64 LYS C . 28101 1 708 . 1 . 1 64 64 LYS CA C 13 58.777 0.03 . . . . . . . 64 LYS CA . 28101 1 709 . 1 . 1 64 64 LYS CB C 13 32.520 0.01 . . . . . . . 64 LYS CB . 28101 1 710 . 1 . 1 64 64 LYS CG C 13 25.471 0.01 . . . . . . . 64 LYS CG . 28101 1 711 . 1 . 1 64 64 LYS CD C 13 29.272 0.01 . . . . . . . 64 LYS CD . 28101 1 712 . 1 . 1 64 64 LYS CE C 13 42.143 0.02 . . . . . . . 64 LYS CE . 28101 1 713 . 1 . 1 64 64 LYS N N 15 120.431 0.09 . . . . . . . 64 LYS N . 28101 1 714 . 1 . 1 65 65 ALA H H 1 7.983 0.01 . . . . . . . 65 ALA H . 28101 1 715 . 1 . 1 65 65 ALA HA H 1 4.121 0.02 . . . . . . . 65 ALA HA . 28101 1 716 . 1 . 1 65 65 ALA HB1 H 1 1.446 0.02 . . . . . . . 65 ALA HB . 28101 1 717 . 1 . 1 65 65 ALA HB2 H 1 1.446 0.02 . . . . . . . 65 ALA HB . 28101 1 718 . 1 . 1 65 65 ALA HB3 H 1 1.446 0.02 . . . . . . . 65 ALA HB . 28101 1 719 . 1 . 1 65 65 ALA C C 13 179.828 0.00 . . . . . . . 65 ALA C . 28101 1 720 . 1 . 1 65 65 ALA CA C 13 55.086 0.02 . . . . . . . 65 ALA CA . 28101 1 721 . 1 . 1 65 65 ALA CB C 13 18.559 0.02 . . . . . . . 65 ALA CB . 28101 1 722 . 1 . 1 65 65 ALA N N 15 122.457 0.10 . . . . . . . 65 ALA N . 28101 1 723 . 1 . 1 66 66 TYR H H 1 8.500 0.01 . . . . . . . 66 TYR H . 28101 1 724 . 1 . 1 66 66 TYR HA H 1 4.266 0.04 . . . . . . . 66 TYR HA . 28101 1 725 . 1 . 1 66 66 TYR HB2 H 1 2.964 0.13 . . . . . . . 66 TYR HB2 . 28101 1 726 . 1 . 1 66 66 TYR HB3 H 1 2.764 0.12 . . . . . . . 66 TYR HB3 . 28101 1 727 . 1 . 1 66 66 TYR HD1 H 1 7.094 0.00 . . . . . . . 66 TYR HD . 28101 1 728 . 1 . 1 66 66 TYR HD2 H 1 7.094 0.00 . . . . . . . 66 TYR HD . 28101 1 729 . 1 . 1 66 66 TYR HE1 H 1 6.756 0.01 . . . . . . . 66 TYR HE . 28101 1 730 . 1 . 1 66 66 TYR HE2 H 1 6.756 0.01 . . . . . . . 66 TYR HE . 28101 1 731 . 1 . 1 66 66 TYR C C 13 177.344 0.00 . . . . . . . 66 TYR C . 28101 1 732 . 1 . 1 66 66 TYR CA C 13 60.489 0.30 . . . . . . . 66 TYR CA . 28101 1 733 . 1 . 1 66 66 TYR CB C 13 38.154 0.10 . . . . . . . 66 TYR CB . 28101 1 734 . 1 . 1 66 66 TYR CD1 C 13 132.707 0.02 . . . . . . . 66 TYR CD . 28101 1 735 . 1 . 1 66 66 TYR CD2 C 13 132.707 0.02 . . . . . . . 66 TYR CD . 28101 1 736 . 1 . 1 66 66 TYR CE1 C 13 118.236 0.03 . . . . . . . 66 TYR CE . 28101 1 737 . 1 . 1 66 66 TYR CE2 C 13 118.236 0.03 . . . . . . . 66 TYR CE . 28101 1 738 . 1 . 1 66 66 TYR N N 15 119.030 0.09 . . . . . . . 66 TYR N . 28101 1 739 . 1 . 1 67 67 ALA H H 1 7.943 0.01 . . . . . . . 67 ALA H . 28101 1 740 . 1 . 1 67 67 ALA HA H 1 4.041 0.02 . . . . . . . 67 ALA HA . 28101 1 741 . 1 . 1 67 67 ALA HB1 H 1 1.485 0.01 . . . . . . . 67 ALA HB . 28101 1 742 . 1 . 1 67 67 ALA HB2 H 1 1.485 0.01 . . . . . . . 67 ALA HB . 28101 1 743 . 1 . 1 67 67 ALA HB3 H 1 1.485 0.01 . . . . . . . 67 ALA HB . 28101 1 744 . 1 . 1 67 67 ALA C C 13 177.257 0.00 . . . . . . . 67 ALA C . 28101 1 745 . 1 . 1 67 67 ALA CA C 13 55.080 0.05 . . . . . . . 67 ALA CA . 28101 1 746 . 1 . 1 67 67 ALA CB C 13 18.072 0.07 . . . . . . . 67 ALA CB . 28101 1 747 . 1 . 1 67 67 ALA N N 15 121.218 0.07 . . . . . . . 67 ALA N . 28101 1 748 . 1 . 1 68 68 ARG H H 1 7.901 0.01 . . . . . . . 68 ARG H . 28101 1 749 . 1 . 1 68 68 ARG HA H 1 4.134 0.01 . . . . . . . 68 ARG HA . 28101 1 750 . 1 . 1 68 68 ARG HB2 H 1 1.927 0.01 . . . . . . . 68 ARG HB . 28101 1 751 . 1 . 1 68 68 ARG HB3 H 1 1.927 0.01 . . . . . . . 68 ARG HB . 28101 1 752 . 1 . 1 68 68 ARG HG2 H 1 1.649 0.04 . . . . . . . 68 ARG HG . 28101 1 753 . 1 . 1 68 68 ARG HG3 H 1 1.649 0.04 . . . . . . . 68 ARG HG . 28101 1 754 . 1 . 1 68 68 ARG HD2 H 1 3.155 0.01 . . . . . . . 68 ARG HD . 28101 1 755 . 1 . 1 68 68 ARG HD3 H 1 3.155 0.01 . . . . . . . 68 ARG HD . 28101 1 756 . 1 . 1 68 68 ARG C C 13 178.936 0.00 . . . . . . . 68 ARG C . 28101 1 757 . 1 . 1 68 68 ARG CA C 13 58.398 0.10 . . . . . . . 68 ARG CA . 28101 1 758 . 1 . 1 68 68 ARG CB C 13 30.109 0.08 . . . . . . . 68 ARG CB . 28101 1 759 . 1 . 1 68 68 ARG CG C 13 27.338 0.05 . . . . . . . 68 ARG CG . 28101 1 760 . 1 . 1 68 68 ARG CD C 13 43.291 0.06 . . . . . . . 68 ARG CD . 28101 1 761 . 1 . 1 68 68 ARG N N 15 117.507 0.06 . . . . . . . 68 ARG N . 28101 1 762 . 1 . 1 69 69 MET H H 1 7.976 0.01 . . . . . . . 69 MET H . 28101 1 763 . 1 . 1 69 69 MET HA H 1 4.075 0.01 . . . . . . . 69 MET HA . 28101 1 764 . 1 . 1 69 69 MET HB2 H 1 1.976 0.08 . . . . . . . 69 MET HB . 28101 1 765 . 1 . 1 69 69 MET HB3 H 1 1.976 0.08 . . . . . . . 69 MET HB . 28101 1 766 . 1 . 1 69 69 MET HG2 H 1 2.323 0.12 . . . . . . . 69 MET HG2 . 28101 1 767 . 1 . 1 69 69 MET HG3 H 1 2.189 0.15 . . . . . . . 69 MET HG3 . 28101 1 768 . 1 . 1 69 69 MET C C 13 177.904 0.00 . . . . . . . 69 MET C . 28101 1 769 . 1 . 1 69 69 MET CA C 13 57.959 0.51 . . . . . . . 69 MET CA . 28101 1 770 . 1 . 1 69 69 MET CB C 13 32.208 0.36 . . . . . . . 69 MET CB . 28101 1 771 . 1 . 1 69 69 MET CG C 13 32.162 0.07 . . . . . . . 69 MET CG . 28101 1 772 . 1 . 1 69 69 MET N N 15 119.667 0.11 . . . . . . . 69 MET N . 28101 1 773 . 1 . 1 70 70 MET H H 1 7.977 0.13 . . . . . . . 70 MET H . 28101 1 774 . 1 . 1 70 70 MET HA H 1 3.882 0.01 . . . . . . . 70 MET HA . 28101 1 775 . 1 . 1 70 70 MET HB2 H 1 1.970 0.08 . . . . . . . 70 MET HB . 28101 1 776 . 1 . 1 70 70 MET HB3 H 1 1.970 0.08 . . . . . . . 70 MET HB . 28101 1 777 . 1 . 1 70 70 MET HG2 H 1 2.345 0.06 . . . . . . . 70 MET HG2 . 28101 1 778 . 1 . 1 70 70 MET HG3 H 1 2.216 0.06 . . . . . . . 70 MET HG3 . 28101 1 779 . 1 . 1 70 70 MET C C 13 177.929 0.00 . . . . . . . 70 MET C . 28101 1 780 . 1 . 1 70 70 MET CA C 13 54.358 4.16 . . . . . . . 70 MET CA . 28101 1 781 . 1 . 1 70 70 MET CB C 13 31.766 0.16 . . . . . . . 70 MET CB . 28101 1 782 . 1 . 1 70 70 MET CG C 13 32.271 0.11 . . . . . . . 70 MET CG . 28101 1 783 . 1 . 1 70 70 MET N N 15 117.469 0.81 . . . . . . . 70 MET N . 28101 1 784 . 1 . 1 71 71 GLU H H 1 7.863 0.05 . . . . . . . 71 GLU H . 28101 1 785 . 1 . 1 71 71 GLU HA H 1 4.157 0.01 . . . . . . . 71 GLU HA . 28101 1 786 . 1 . 1 71 71 GLU HB2 H 1 2.080 0.01 . . . . . . . 71 GLU HB . 28101 1 787 . 1 . 1 71 71 GLU HB3 H 1 2.080 0.01 . . . . . . . 71 GLU HB . 28101 1 788 . 1 . 1 71 71 GLU HG2 H 1 2.380 0.02 . . . . . . . 71 GLU HG2 . 28101 1 789 . 1 . 1 71 71 GLU HG3 H 1 2.202 0.06 . . . . . . . 71 GLU HG3 . 28101 1 790 . 1 . 1 71 71 GLU C C 13 177.552 0.00 . . . . . . . 71 GLU C . 28101 1 791 . 1 . 1 71 71 GLU CA C 13 57.756 0.04 . . . . . . . 71 GLU CA . 28101 1 792 . 1 . 1 71 71 GLU CB C 13 29.904 0.05 . . . . . . . 71 GLU CB . 28101 1 793 . 1 . 1 71 71 GLU CG C 13 36.348 0.03 . . . . . . . 71 GLU CG . 28101 1 794 . 1 . 1 71 71 GLU N N 15 119.494 1.50 . . . . . . . 71 GLU N . 28101 1 795 . 1 . 1 72 72 GLY H H 1 7.947 0.01 . . . . . . . 72 GLY H . 28101 1 796 . 1 . 1 72 72 GLY HA2 H 1 4.029 0.01 . . . . . . . 72 GLY HA2 . 28101 1 797 . 1 . 1 72 72 GLY HA3 H 1 3.866 0.02 . . . . . . . 72 GLY HA3 . 28101 1 798 . 1 . 1 72 72 GLY C C 13 174.031 0.00 . . . . . . . 72 GLY C . 28101 1 799 . 1 . 1 72 72 GLY CA C 13 45.520 0.09 . . . . . . . 72 GLY CA . 28101 1 800 . 1 . 1 72 72 GLY N N 15 107.135 0.10 . . . . . . . 72 GLY N . 28101 1 801 . 1 . 1 73 73 ASN H H 1 8.105 0.01 . . . . . . . 73 ASN H . 28101 1 802 . 1 . 1 73 73 ASN HA H 1 4.667 0.01 . . . . . . . 73 ASN HA . 28101 1 803 . 1 . 1 73 73 ASN HB2 H 1 2.805 0.07 . . . . . . . 73 ASN HB2 . 28101 1 804 . 1 . 1 73 73 ASN HB3 H 1 2.717 0.07 . . . . . . . 73 ASN HB3 . 28101 1 805 . 1 . 1 73 73 ASN C C 13 177.319 0.00 . . . . . . . 73 ASN C . 28101 1 806 . 1 . 1 73 73 ASN CA C 13 53.625 0.02 . . . . . . . 73 ASN CA . 28101 1 807 . 1 . 1 73 73 ASN CB C 13 38.706 0.05 . . . . . . . 73 ASN CB . 28101 1 808 . 1 . 1 73 73 ASN N N 15 117.876 0.07 . . . . . . . 73 ASN N . 28101 1 809 . 1 . 1 74 74 LEU H H 1 8.118 0.01 . . . . . . . 74 LEU H . 28101 1 810 . 1 . 1 74 74 LEU HA H 1 4.114 0.01 . . . . . . . 74 LEU HA . 28101 1 811 . 1 . 1 74 74 LEU HB2 H 1 1.401 0.05 . . . . . . . 74 LEU HB2 . 28101 1 812 . 1 . 1 74 74 LEU HB3 H 1 1.221 0.03 . . . . . . . 74 LEU HB3 . 28101 1 813 . 1 . 1 74 74 LEU HG H 1 1.332 0.03 . . . . . . . 74 LEU HG . 28101 1 814 . 1 . 1 74 74 LEU HD11 H 1 0.679 0.07 . . . . . . . 74 LEU HD1 . 28101 1 815 . 1 . 1 74 74 LEU HD12 H 1 0.679 0.07 . . . . . . . 74 LEU HD1 . 28101 1 816 . 1 . 1 74 74 LEU HD13 H 1 0.679 0.07 . . . . . . . 74 LEU HD1 . 28101 1 817 . 1 . 1 74 74 LEU HD21 H 1 0.668 0.03 . . . . . . . 74 LEU HD2 . 28101 1 818 . 1 . 1 74 74 LEU HD22 H 1 0.668 0.03 . . . . . . . 74 LEU HD2 . 28101 1 819 . 1 . 1 74 74 LEU HD23 H 1 0.668 0.03 . . . . . . . 74 LEU HD2 . 28101 1 820 . 1 . 1 74 74 LEU C C 13 177.296 0.00 . . . . . . . 74 LEU C . 28101 1 821 . 1 . 1 74 74 LEU CA C 13 56.011 0.20 . . . . . . . 74 LEU CA . 28101 1 822 . 1 . 1 74 74 LEU CB C 13 42.124 0.02 . . . . . . . 74 LEU CB . 28101 1 823 . 1 . 1 74 74 LEU CG C 13 26.970 0.19 . . . . . . . 74 LEU CG . 28101 1 824 . 1 . 1 74 74 LEU CD1 C 13 25.005 0.26 . . . . . . . 74 LEU CD1 . 28101 1 825 . 1 . 1 74 74 LEU CD2 C 13 23.429 0.06 . . . . . . . 74 LEU CD2 . 28101 1 826 . 1 . 1 74 74 LEU N N 15 120.859 0.09 . . . . . . . 74 LEU N . 28101 1 827 . 1 . 1 75 75 PHE H H 1 8.132 0.05 . . . . . . . 75 PHE H . 28101 1 828 . 1 . 1 75 75 PHE HA H 1 4.548 0.01 . . . . . . . 75 PHE HA . 28101 1 829 . 1 . 1 75 75 PHE HB2 H 1 3.090 0.08 . . . . . . . 75 PHE HB2 . 28101 1 830 . 1 . 1 75 75 PHE HB3 H 1 2.933 0.02 . . . . . . . 75 PHE HB3 . 28101 1 831 . 1 . 1 75 75 PHE HD1 H 1 7.301 0.02 . . . . . . . 75 PHE HD . 28101 1 832 . 1 . 1 75 75 PHE HD2 H 1 7.301 0.02 . . . . . . . 75 PHE HD . 28101 1 833 . 1 . 1 75 75 PHE HE1 H 1 7.386 0.01 . . . . . . . 75 PHE HE . 28101 1 834 . 1 . 1 75 75 PHE HE2 H 1 7.386 0.01 . . . . . . . 75 PHE HE . 28101 1 835 . 1 . 1 75 75 PHE HZ H 1 7.333 0.03 . . . . . . . 75 PHE HZ . 28101 1 836 . 1 . 1 75 75 PHE C C 13 176.399 0.00 . . . . . . . 75 PHE C . 28101 1 837 . 1 . 1 75 75 PHE CA C 13 57.786 0.06 . . . . . . . 75 PHE CA . 28101 1 838 . 1 . 1 75 75 PHE CB C 13 39.219 0.10 . . . . . . . 75 PHE CB . 28101 1 839 . 1 . 1 75 75 PHE CD1 C 13 132.106 0.06 . . . . . . . 75 PHE CD . 28101 1 840 . 1 . 1 75 75 PHE CD2 C 13 132.106 0.06 . . . . . . . 75 PHE CD . 28101 1 841 . 1 . 1 75 75 PHE CE1 C 13 131.539 0.02 . . . . . . . 75 PHE CE . 28101 1 842 . 1 . 1 75 75 PHE CE2 C 13 131.539 0.02 . . . . . . . 75 PHE CE . 28101 1 843 . 1 . 1 75 75 PHE CZ C 13 130.296 0.00 . . . . . . . 75 PHE CZ . 28101 1 844 . 1 . 1 75 75 PHE N N 15 118.573 0.62 . . . . . . . 75 PHE N . 28101 1 845 . 1 . 1 76 76 GLY H H 1 8.125 0.01 . . . . . . . 76 GLY H . 28101 1 846 . 1 . 1 76 76 GLY HA2 H 1 3.971 0.03 . . . . . . . 76 GLY HA2 . 28101 1 847 . 1 . 1 76 76 GLY HA3 H 1 3.863 0.02 . . . . . . . 76 GLY HA3 . 28101 1 848 . 1 . 1 76 76 GLY C C 13 174.626 0.00 . . . . . . . 76 GLY C . 28101 1 849 . 1 . 1 76 76 GLY CA C 13 45.728 0.05 . . . . . . . 76 GLY CA . 28101 1 850 . 1 . 1 76 76 GLY N N 15 109.663 0.09 . . . . . . . 76 GLY N . 28101 1 851 . 1 . 1 77 77 GLN H H 1 8.238 0.01 . . . . . . . 77 GLN H . 28101 1 852 . 1 . 1 77 77 GLN HA H 1 4.300 0.01 . . . . . . . 77 GLN HA . 28101 1 853 . 1 . 1 77 77 GLN HB2 H 1 2.157 0.05 . . . . . . . 77 GLN HB2 . 28101 1 854 . 1 . 1 77 77 GLN HB3 H 1 2.003 0.06 . . . . . . . 77 GLN HB3 . 28101 1 855 . 1 . 1 77 77 GLN HG2 H 1 2.329 0.01 . . . . . . . 77 GLN HG . 28101 1 856 . 1 . 1 77 77 GLN HG3 H 1 2.329 0.01 . . . . . . . 77 GLN HG . 28101 1 857 . 1 . 1 77 77 GLN C C 13 176.449 0.00 . . . . . . . 77 GLN C . 28101 1 858 . 1 . 1 77 77 GLN CA C 13 56.367 0.06 . . . . . . . 77 GLN CA . 28101 1 859 . 1 . 1 77 77 GLN CB C 13 29.437 0.04 . . . . . . . 77 GLN CB . 28101 1 860 . 1 . 1 77 77 GLN CG C 13 33.859 0.01 . . . . . . . 77 GLN CG . 28101 1 861 . 1 . 1 77 77 GLN N N 15 119.577 0.07 . . . . . . . 77 GLN N . 28101 1 862 . 1 . 1 78 78 GLU H H 1 8.661 0.01 . . . . . . . 78 GLU H . 28101 1 863 . 1 . 1 78 78 GLU HA H 1 4.320 0.03 . . . . . . . 78 GLU HA . 28101 1 864 . 1 . 1 78 78 GLU HB2 H 1 2.144 0.06 . . . . . . . 78 GLU HB2 . 28101 1 865 . 1 . 1 78 78 GLU HB3 H 1 1.998 0.06 . . . . . . . 78 GLU HB3 . 28101 1 866 . 1 . 1 78 78 GLU HG2 H 1 2.291 0.04 . . . . . . . 78 GLU HG . 28101 1 867 . 1 . 1 78 78 GLU HG3 H 1 2.291 0.04 . . . . . . . 78 GLU HG . 28101 1 868 . 1 . 1 78 78 GLU C C 13 177.014 0.00 . . . . . . . 78 GLU C . 28101 1 869 . 1 . 1 78 78 GLU CA C 13 57.004 0.08 . . . . . . . 78 GLU CA . 28101 1 870 . 1 . 1 78 78 GLU CB C 13 29.889 0.03 . . . . . . . 78 GLU CB . 28101 1 871 . 1 . 1 78 78 GLU CG C 13 36.316 0.02 . . . . . . . 78 GLU CG . 28101 1 872 . 1 . 1 78 78 GLU N N 15 121.100 0.12 . . . . . . . 78 GLU N . 28101 1 873 . 1 . 1 79 79 THR H H 1 8.143 0.01 . . . . . . . 79 THR H . 28101 1 874 . 1 . 1 79 79 THR HA H 1 4.298 0.02 . . . . . . . 79 THR HA . 28101 1 875 . 1 . 1 79 79 THR HB H 1 4.238 0.03 . . . . . . . 79 THR HB . 28101 1 876 . 1 . 1 79 79 THR HG21 H 1 1.143 0.02 . . . . . . . 79 THR HG2 . 28101 1 877 . 1 . 1 79 79 THR HG22 H 1 1.143 0.02 . . . . . . . 79 THR HG2 . 28101 1 878 . 1 . 1 79 79 THR HG23 H 1 1.143 0.02 . . . . . . . 79 THR HG2 . 28101 1 879 . 1 . 1 79 79 THR C C 13 175.385 0.00 . . . . . . . 79 THR C . 28101 1 880 . 1 . 1 79 79 THR CA C 13 62.039 0.07 . . . . . . . 79 THR CA . 28101 1 881 . 1 . 1 79 79 THR CB C 13 69.695 0.06 . . . . . . . 79 THR CB . 28101 1 882 . 1 . 1 79 79 THR CG2 C 13 21.664 0.04 . . . . . . . 79 THR CG2 . 28101 1 883 . 1 . 1 79 79 THR N N 15 113.801 0.10 . . . . . . . 79 THR N . 28101 1 884 . 1 . 1 80 80 GLY H H 1 8.438 0.01 . . . . . . . 80 GLY H . 28101 1 885 . 1 . 1 80 80 GLY HA2 H 1 4.040 0.03 . . . . . . . 80 GLY HA2 . 28101 1 886 . 1 . 1 80 80 GLY HA3 H 1 3.876 0.05 . . . . . . . 80 GLY HA3 . 28101 1 887 . 1 . 1 80 80 GLY C C 13 174.665 0.00 . . . . . . . 80 GLY C . 28101 1 888 . 1 . 1 80 80 GLY CA C 13 45.762 0.12 . . . . . . . 80 GLY CA . 28101 1 889 . 1 . 1 80 80 GLY N N 15 111.412 0.09 . . . . . . . 80 GLY N . 28101 1 890 . 1 . 1 81 81 GLY H H 1 8.181 0.01 . . . . . . . 81 GLY H . 28101 1 891 . 1 . 1 81 81 GLY HA2 H 1 3.877 0.01 . . . . . . . 81 GLY HA . 28101 1 892 . 1 . 1 81 81 GLY HA3 H 1 3.877 0.01 . . . . . . . 81 GLY HA . 28101 1 893 . 1 . 1 81 81 GLY C C 13 173.312 0.00 . . . . . . . 81 GLY C . 28101 1 894 . 1 . 1 81 81 GLY CA C 13 45.258 0.03 . . . . . . . 81 GLY CA . 28101 1 895 . 1 . 1 81 81 GLY N N 15 107.970 0.07 . . . . . . . 81 GLY N . 28101 1 896 . 1 . 1 82 82 ALA H H 1 7.841 0.02 . . . . . . . 82 ALA H . 28101 1 897 . 1 . 1 82 82 ALA HA H 1 4.540 0.07 . . . . . . . 82 ALA HA . 28101 1 898 . 1 . 1 82 82 ALA HB1 H 1 1.129 0.01 . . . . . . . 82 ALA HB . 28101 1 899 . 1 . 1 82 82 ALA HB2 H 1 1.129 0.01 . . . . . . . 82 ALA HB . 28101 1 900 . 1 . 1 82 82 ALA HB3 H 1 1.129 0.01 . . . . . . . 82 ALA HB . 28101 1 901 . 1 . 1 82 82 ALA C C 13 174.636 0.00 . . . . . . . 82 ALA C . 28101 1 902 . 1 . 1 82 82 ALA CA C 13 51.482 0.11 . . . . . . . 82 ALA CA . 28101 1 903 . 1 . 1 82 82 ALA CB C 13 20.607 0.09 . . . . . . . 82 ALA CB . 28101 1 904 . 1 . 1 82 82 ALA N N 15 122.659 0.10 . . . . . . . 82 ALA N . 28101 1 905 . 1 . 1 83 83 ALA H H 1 8.560 0.01 . . . . . . . 83 ALA H . 28101 1 906 . 1 . 1 83 83 ALA CA C 13 51.498 0.06 . . . . . . . 83 ALA CA . 28101 1 907 . 1 . 1 83 83 ALA CB C 13 21.506 0.00 . . . . . . . 83 ALA CB . 28101 1 908 . 1 . 1 83 83 ALA N N 15 122.894 0.13 . . . . . . . 83 ALA N . 28101 1 909 . 1 . 1 84 84 LEU HA H 1 4.318 0.01 . . . . . . . 84 LEU HA . 28101 1 910 . 1 . 1 84 84 LEU HB2 H 1 2.235 0.04 . . . . . . . 84 LEU HB . 28101 1 911 . 1 . 1 84 84 LEU HB3 H 1 2.235 0.04 . . . . . . . 84 LEU HB . 28101 1 912 . 1 . 1 84 84 LEU HG H 1 1.647 0.03 . . . . . . . 84 LEU HG . 28101 1 913 . 1 . 1 84 84 LEU HD11 H 1 0.829 0.07 . . . . . . . 84 LEU HD1 . 28101 1 914 . 1 . 1 84 84 LEU HD12 H 1 0.829 0.07 . . . . . . . 84 LEU HD1 . 28101 1 915 . 1 . 1 84 84 LEU HD13 H 1 0.829 0.07 . . . . . . . 84 LEU HD1 . 28101 1 916 . 1 . 1 84 84 LEU HD21 H 1 0.775 0.05 . . . . . . . 84 LEU HD2 . 28101 1 917 . 1 . 1 84 84 LEU HD22 H 1 0.775 0.05 . . . . . . . 84 LEU HD2 . 28101 1 918 . 1 . 1 84 84 LEU HD23 H 1 0.775 0.05 . . . . . . . 84 LEU HD2 . 28101 1 919 . 1 . 1 84 84 LEU C C 13 178.255 0.00 . . . . . . . 84 LEU C . 28101 1 920 . 1 . 1 84 84 LEU CA C 13 55.540 0.44 . . . . . . . 84 LEU CA . 28101 1 921 . 1 . 1 84 84 LEU CB C 13 41.990 0.11 . . . . . . . 84 LEU CB . 28101 1 922 . 1 . 1 84 84 LEU CG C 13 24.872 0.16 . . . . . . . 84 LEU CG . 28101 1 923 . 1 . 1 84 84 LEU CD1 C 13 26.145 0.45 . . . . . . . 84 LEU CD1 . 28101 1 924 . 1 . 1 84 84 LEU CD2 C 13 15.868 10.65 . . . . . . . 84 LEU CD2 . 28101 1 925 . 1 . 1 85 85 GLY H H 1 8.349 0.12 . . . . . . . 85 GLY H . 28101 1 926 . 1 . 1 85 85 GLY CA C 13 45.695 0.12 . . . . . . . 85 GLY CA . 28101 1 927 . 1 . 1 85 85 GLY N N 15 108.439 0.39 . . . . . . . 85 GLY N . 28101 1 928 . 1 . 1 86 86 LEU H H 1 7.942 0.13 . . . . . . . 86 LEU H . 28101 1 929 . 1 . 1 86 86 LEU HA H 1 4.297 0.01 . . . . . . . 86 LEU HA . 28101 1 930 . 1 . 1 86 86 LEU HB2 H 1 1.588 0.02 . . . . . . . 86 LEU HB2 . 28101 1 931 . 1 . 1 86 86 LEU HB3 H 1 1.485 0.04 . . . . . . . 86 LEU HB3 . 28101 1 932 . 1 . 1 86 86 LEU HG H 1 1.438 0.04 . . . . . . . 86 LEU HG . 28101 1 933 . 1 . 1 86 86 LEU HD11 H 1 0.889 0.02 . . . . . . . 86 LEU HD1 . 28101 1 934 . 1 . 1 86 86 LEU HD12 H 1 0.889 0.02 . . . . . . . 86 LEU HD1 . 28101 1 935 . 1 . 1 86 86 LEU HD13 H 1 0.889 0.02 . . . . . . . 86 LEU HD1 . 28101 1 936 . 1 . 1 86 86 LEU HD21 H 1 0.821 0.05 . . . . . . . 86 LEU HD2 . 28101 1 937 . 1 . 1 86 86 LEU HD22 H 1 0.821 0.05 . . . . . . . 86 LEU HD2 . 28101 1 938 . 1 . 1 86 86 LEU HD23 H 1 0.821 0.05 . . . . . . . 86 LEU HD2 . 28101 1 939 . 1 . 1 86 86 LEU C C 13 177.601 0.00 . . . . . . . 86 LEU C . 28101 1 940 . 1 . 1 86 86 LEU CA C 13 55.162 0.05 . . . . . . . 86 LEU CA . 28101 1 941 . 1 . 1 86 86 LEU CB C 13 42.456 0.10 . . . . . . . 86 LEU CB . 28101 1 942 . 1 . 1 86 86 LEU CG C 13 26.964 0.04 . . . . . . . 86 LEU CG . 28101 1 943 . 1 . 1 86 86 LEU CD1 C 13 22.625 7.68 . . . . . . . 86 LEU CD1 . 28101 1 944 . 1 . 1 86 86 LEU CD2 C 13 20.987 7.14 . . . . . . . 86 LEU CD2 . 28101 1 945 . 1 . 1 86 86 LEU N N 15 120.160 0.27 . . . . . . . 86 LEU N . 28101 1 946 . 1 . 1 87 87 ASP H H 1 8.144 0.01 . . . . . . . 87 ASP H . 28101 1 947 . 1 . 1 87 87 ASP HA H 1 3.997 0.69 . . . . . . . 87 ASP HA . 28101 1 948 . 1 . 1 87 87 ASP HB2 H 1 2.782 0.02 . . . . . . . 87 ASP HB . 28101 1 949 . 1 . 1 87 87 ASP HB3 H 1 2.782 0.02 . . . . . . . 87 ASP HB . 28101 1 950 . 1 . 1 87 87 ASP C C 13 177.555 0.00 . . . . . . . 87 ASP C . 28101 1 951 . 1 . 1 87 87 ASP CA C 13 50.701 13.29 . . . . . . . 87 ASP CA . 28101 1 952 . 1 . 1 87 87 ASP CB C 13 42.332 0.15 . . . . . . . 87 ASP CB . 28101 1 953 . 1 . 1 87 87 ASP N N 15 121.261 0.14 . . . . . . . 87 ASP N . 28101 1 954 . 1 . 1 88 88 SER H H 1 8.278 0.01 . . . . . . . 88 SER H . 28101 1 955 . 1 . 1 88 88 SER CA C 13 58.391 0.02 . . . . . . . 88 SER CA . 28101 1 956 . 1 . 1 88 88 SER CB C 13 63.707 0.00 . . . . . . . 88 SER CB . 28101 1 957 . 1 . 1 88 88 SER N N 15 116.477 0.07 . . . . . . . 88 SER N . 28101 1 958 . 1 . 1 89 89 ASP HA H 1 4.694 0.02 . . . . . . . 89 ASP HA . 28101 1 959 . 1 . 1 89 89 ASP HB2 H 1 2.548 0.02 . . . . . . . 89 ASP HB2 . 28101 1 960 . 1 . 1 89 89 ASP HB3 H 1 2.384 0.02 . . . . . . . 89 ASP HB3 . 28101 1 961 . 1 . 1 89 89 ASP C C 13 175.872 0.00 . . . . . . . 89 ASP C . 28101 1 962 . 1 . 1 89 89 ASP CA C 13 54.181 0.12 . . . . . . . 89 ASP CA . 28101 1 963 . 1 . 1 89 89 ASP CB C 13 41.786 0.15 . . . . . . . 89 ASP CB . 28101 1 964 . 1 . 1 90 90 GLY H H 1 8.095 0.06 . . . . . . . 90 GLY H . 28101 1 965 . 1 . 1 90 90 GLY HA2 H 1 4.011 0.02 . . . . . . . 90 GLY HA2 . 28101 1 966 . 1 . 1 90 90 GLY HA3 H 1 3.752 0.08 . . . . . . . 90 GLY HA3 . 28101 1 967 . 1 . 1 90 90 GLY C C 13 177.125 0.00 . . . . . . . 90 GLY C . 28101 1 968 . 1 . 1 90 90 GLY CA C 13 46.376 2.64 . . . . . . . 90 GLY CA . 28101 1 969 . 1 . 1 90 90 GLY N N 15 107.757 0.32 . . . . . . . 90 GLY N . 28101 1 970 . 1 . 1 91 91 HIS H H 1 8.165 0.02 . . . . . . . 91 HIS H . 28101 1 971 . 1 . 1 91 91 HIS CA C 13 55.812 0.02 . . . . . . . 91 HIS CA . 28101 1 972 . 1 . 1 91 91 HIS CB C 13 29.139 0.40 . . . . . . . 91 HIS CB . 28101 1 973 . 1 . 1 91 91 HIS N N 15 119.626 0.12 . . . . . . . 91 HIS N . 28101 1 974 . 1 . 1 92 92 ALA H H 1 7.327 0.00 . . . . . . . 92 ALA H . 28101 1 975 . 1 . 1 92 92 ALA N N 15 120.981 0.00 . . . . . . . 92 ALA N . 28101 1 976 . 1 . 1 93 93 VAL H H 1 7.320 0.00 . . . . . . . 93 VAL H . 28101 1 977 . 1 . 1 93 93 VAL HA H 1 3.883 0.00 . . . . . . . 93 VAL HA . 28101 1 978 . 1 . 1 93 93 VAL HB H 1 1.834 0.00 . . . . . . . 93 VAL HB . 28101 1 979 . 1 . 1 93 93 VAL HG11 H 1 1.524 0.00 . . . . . . . 93 VAL HG1 . 28101 1 980 . 1 . 1 93 93 VAL HG12 H 1 1.524 0.00 . . . . . . . 93 VAL HG1 . 28101 1 981 . 1 . 1 93 93 VAL HG13 H 1 1.524 0.00 . . . . . . . 93 VAL HG1 . 28101 1 982 . 1 . 1 93 93 VAL HG21 H 1 1.394 0.00 . . . . . . . 93 VAL HG2 . 28101 1 983 . 1 . 1 93 93 VAL HG22 H 1 1.394 0.00 . . . . . . . 93 VAL HG2 . 28101 1 984 . 1 . 1 93 93 VAL HG23 H 1 1.394 0.00 . . . . . . . 93 VAL HG2 . 28101 1 985 . 1 . 1 93 93 VAL C C 13 178.661 0.00 . . . . . . . 93 VAL C . 28101 1 986 . 1 . 1 93 93 VAL CA C 13 59.441 0.00 . . . . . . . 93 VAL CA . 28101 1 987 . 1 . 1 93 93 VAL CB C 13 32.487 0.00 . . . . . . . 93 VAL CB . 28101 1 988 . 1 . 1 93 93 VAL N N 15 116.742 0.02 . . . . . . . 93 VAL N . 28101 1 989 . 1 . 1 94 94 LEU H H 1 7.685 0.01 . . . . . . . 94 LEU H . 28101 1 990 . 1 . 1 94 94 LEU N N 15 119.562 0.02 . . . . . . . 94 LEU N . 28101 1 991 . 1 . 1 95 95 VAL HA H 1 5.092 0.01 . . . . . . . 95 VAL HA . 28101 1 992 . 1 . 1 95 95 VAL HB H 1 1.760 0.01 . . . . . . . 95 VAL HB . 28101 1 993 . 1 . 1 95 95 VAL HG11 H 1 0.744 0.01 . . . . . . . 95 VAL HG . 28101 1 994 . 1 . 1 95 95 VAL HG12 H 1 0.744 0.01 . . . . . . . 95 VAL HG . 28101 1 995 . 1 . 1 95 95 VAL HG13 H 1 0.744 0.01 . . . . . . . 95 VAL HG . 28101 1 996 . 1 . 1 95 95 VAL HG21 H 1 0.744 0.01 . . . . . . . 95 VAL HG . 28101 1 997 . 1 . 1 95 95 VAL HG22 H 1 0.744 0.01 . . . . . . . 95 VAL HG . 28101 1 998 . 1 . 1 95 95 VAL HG23 H 1 0.744 0.01 . . . . . . . 95 VAL HG . 28101 1 999 . 1 . 1 95 95 VAL C C 13 175.281 0.00 . . . . . . . 95 VAL C . 28101 1 1000 . 1 . 1 95 95 VAL CA C 13 60.957 0.07 . . . . . . . 95 VAL CA . 28101 1 1001 . 1 . 1 95 95 VAL CB C 13 35.230 0.07 . . . . . . . 95 VAL CB . 28101 1 1002 . 1 . 1 95 95 VAL CG1 C 13 21.397 0.11 . . . . . . . 95 VAL CG# . 28101 1 1003 . 1 . 1 95 95 VAL CG2 C 13 21.397 0.11 . . . . . . . 95 VAL CG# . 28101 1 1004 . 1 . 1 96 96 ARG H H 1 9.234 0.01 . . . . . . . 96 ARG H . 28101 1 1005 . 1 . 1 96 96 ARG HA H 1 4.663 0.02 . . . . . . . 96 ARG HA . 28101 1 1006 . 1 . 1 96 96 ARG HB2 H 1 1.562 0.02 . . . . . . . 96 ARG HB . 28101 1 1007 . 1 . 1 96 96 ARG HB3 H 1 1.562 0.02 . . . . . . . 96 ARG HB . 28101 1 1008 . 1 . 1 96 96 ARG HG2 H 1 1.428 0.02 . . . . . . . 96 ARG HG . 28101 1 1009 . 1 . 1 96 96 ARG HG3 H 1 1.428 0.02 . . . . . . . 96 ARG HG . 28101 1 1010 . 1 . 1 96 96 ARG HD2 H 1 2.905 0.06 . . . . . . . 96 ARG HD . 28101 1 1011 . 1 . 1 96 96 ARG HD3 H 1 2.905 0.06 . . . . . . . 96 ARG HD . 28101 1 1012 . 1 . 1 96 96 ARG C C 13 173.196 0.00 . . . . . . . 96 ARG C . 28101 1 1013 . 1 . 1 96 96 ARG CA C 13 54.631 0.14 . . . . . . . 96 ARG CA . 28101 1 1014 . 1 . 1 96 96 ARG CB C 13 34.740 0.03 . . . . . . . 96 ARG CB . 28101 1 1015 . 1 . 1 96 96 ARG CG C 13 27.605 0.04 . . . . . . . 96 ARG CG . 28101 1 1016 . 1 . 1 96 96 ARG CD C 13 35.011 13.13 . . . . . . . 96 ARG CD . 28101 1 1017 . 1 . 1 96 96 ARG N N 15 127.476 0.13 . . . . . . . 96 ARG N . 28101 1 1018 . 1 . 1 97 97 ARG H H 1 8.598 0.01 . . . . . . . 97 ARG H . 28101 1 1019 . 1 . 1 97 97 ARG HA H 1 5.143 0.01 . . . . . . . 97 ARG HA . 28101 1 1020 . 1 . 1 97 97 ARG HB2 H 1 1.631 0.01 . . . . . . . 97 ARG HB . 28101 1 1021 . 1 . 1 97 97 ARG HB3 H 1 1.631 0.01 . . . . . . . 97 ARG HB . 28101 1 1022 . 1 . 1 97 97 ARG HG2 H 1 1.322 0.01 . . . . . . . 97 ARG HG . 28101 1 1023 . 1 . 1 97 97 ARG HG3 H 1 1.322 0.01 . . . . . . . 97 ARG HG . 28101 1 1024 . 1 . 1 97 97 ARG HD2 H 1 3.075 0.02 . . . . . . . 97 ARG HD . 28101 1 1025 . 1 . 1 97 97 ARG HD3 H 1 3.075 0.02 . . . . . . . 97 ARG HD . 28101 1 1026 . 1 . 1 97 97 ARG C C 13 175.567 0.00 . . . . . . . 97 ARG C . 28101 1 1027 . 1 . 1 97 97 ARG CA C 13 54.949 0.05 . . . . . . . 97 ARG CA . 28101 1 1028 . 1 . 1 97 97 ARG CB C 13 31.832 0.04 . . . . . . . 97 ARG CB . 28101 1 1029 . 1 . 1 97 97 ARG CG C 13 27.671 0.04 . . . . . . . 97 ARG CG . 28101 1 1030 . 1 . 1 97 97 ARG CD C 13 43.375 0.02 . . . . . . . 97 ARG CD . 28101 1 1031 . 1 . 1 97 97 ARG N N 15 125.981 0.12 . . . . . . . 97 ARG N . 28101 1 1032 . 1 . 1 98 98 VAL H H 1 9.395 0.01 . . . . . . . 98 VAL H . 28101 1 1033 . 1 . 1 98 98 VAL CA C 13 58.156 0.01 . . . . . . . 98 VAL CA . 28101 1 1034 . 1 . 1 98 98 VAL CB C 13 33.985 0.00 . . . . . . . 98 VAL CB . 28101 1 1035 . 1 . 1 98 98 VAL N N 15 122.821 0.14 . . . . . . . 98 VAL N . 28101 1 1036 . 1 . 1 99 99 PRO HA H 1 4.430 0.02 . . . . . . . 99 PRO HA . 28101 1 1037 . 1 . 1 99 99 PRO HB2 H 1 2.402 0.03 . . . . . . . 99 PRO HB2 . 28101 1 1038 . 1 . 1 99 99 PRO HB3 H 1 1.858 0.02 . . . . . . . 99 PRO HB3 . 28101 1 1039 . 1 . 1 99 99 PRO HG2 H 1 1.991 0.03 . . . . . . . 99 PRO HG . 28101 1 1040 . 1 . 1 99 99 PRO HG3 H 1 1.991 0.03 . . . . . . . 99 PRO HG . 28101 1 1041 . 1 . 1 99 99 PRO HD2 H 1 3.874 0.02 . . . . . . . 99 PRO HD . 28101 1 1042 . 1 . 1 99 99 PRO HD3 H 1 3.874 0.02 . . . . . . . 99 PRO HD . 28101 1 1043 . 1 . 1 99 99 PRO C C 13 176.390 0.00 . . . . . . . 99 PRO C . 28101 1 1044 . 1 . 1 99 99 PRO CA C 13 63.053 0.03 . . . . . . . 99 PRO CA . 28101 1 1045 . 1 . 1 99 99 PRO CB C 13 32.500 0.05 . . . . . . . 99 PRO CB . 28101 1 1046 . 1 . 1 99 99 PRO CG C 13 27.731 0.07 . . . . . . . 99 PRO CG . 28101 1 1047 . 1 . 1 99 99 PRO CD C 13 50.952 0.08 . . . . . . . 99 PRO CD . 28101 1 1048 . 1 . 1 100 100 GLY H H 1 8.200 0.01 . . . . . . . 100 GLY H . 28101 1 1049 . 1 . 1 100 100 GLY HA2 H 1 3.839 0.01 . . . . . . . 100 GLY HA . 28101 1 1050 . 1 . 1 100 100 GLY HA3 H 1 3.839 0.01 . . . . . . . 100 GLY HA . 28101 1 1051 . 1 . 1 100 100 GLY C C 13 174.950 0.00 . . . . . . . 100 GLY C . 28101 1 1052 . 1 . 1 100 100 GLY CA C 13 46.940 0.03 . . . . . . . 100 GLY CA . 28101 1 1053 . 1 . 1 100 100 GLY N N 15 106.368 0.13 . . . . . . . 100 GLY N . 28101 1 1054 . 1 . 1 101 101 GLU H H 1 7.938 0.02 . . . . . . . 101 GLU H . 28101 1 1055 . 1 . 1 101 101 GLU HA H 1 4.382 0.02 . . . . . . . 101 GLU HA . 28101 1 1056 . 1 . 1 101 101 GLU HB2 H 1 2.084 0.02 . . . . . . . 101 GLU HB2 . 28101 1 1057 . 1 . 1 101 101 GLU HB3 H 1 1.938 0.02 . . . . . . . 101 GLU HB3 . 28101 1 1058 . 1 . 1 101 101 GLU HG2 H 1 2.201 0.03 . . . . . . . 101 GLU HG . 28101 1 1059 . 1 . 1 101 101 GLU HG3 H 1 2.201 0.03 . . . . . . . 101 GLU HG . 28101 1 1060 . 1 . 1 101 101 GLU C C 13 175.338 0.00 . . . . . . . 101 GLU C . 28101 1 1061 . 1 . 1 101 101 GLU CA C 13 55.859 0.06 . . . . . . . 101 GLU CA . 28101 1 1062 . 1 . 1 101 101 GLU CB C 13 28.693 0.04 . . . . . . . 101 GLU CB . 28101 1 1063 . 1 . 1 101 101 GLU CG C 13 36.158 0.01 . . . . . . . 101 GLU CG . 28101 1 1064 . 1 . 1 101 101 GLU N N 15 117.389 0.13 . . . . . . . 101 GLU N . 28101 1 1065 . 1 . 1 102 102 VAL H H 1 7.305 0.02 . . . . . . . 102 VAL H . 28101 1 1066 . 1 . 1 102 102 VAL HA H 1 4.353 0.01 . . . . . . . 102 VAL HA . 28101 1 1067 . 1 . 1 102 102 VAL HB H 1 2.403 0.01 . . . . . . . 102 VAL HB . 28101 1 1068 . 1 . 1 102 102 VAL HG11 H 1 1.200 0.02 . . . . . . . 102 VAL HG1 . 28101 1 1069 . 1 . 1 102 102 VAL HG12 H 1 1.200 0.02 . . . . . . . 102 VAL HG1 . 28101 1 1070 . 1 . 1 102 102 VAL HG13 H 1 1.200 0.02 . . . . . . . 102 VAL HG1 . 28101 1 1071 . 1 . 1 102 102 VAL HG21 H 1 0.960 0.01 . . . . . . . 102 VAL HG2 . 28101 1 1072 . 1 . 1 102 102 VAL HG22 H 1 0.960 0.01 . . . . . . . 102 VAL HG2 . 28101 1 1073 . 1 . 1 102 102 VAL HG23 H 1 0.960 0.01 . . . . . . . 102 VAL HG2 . 28101 1 1074 . 1 . 1 102 102 VAL C C 13 173.704 0.00 . . . . . . . 102 VAL C . 28101 1 1075 . 1 . 1 102 102 VAL CA C 13 60.735 0.03 . . . . . . . 102 VAL CA . 28101 1 1076 . 1 . 1 102 102 VAL CB C 13 33.240 0.04 . . . . . . . 102 VAL CB . 28101 1 1077 . 1 . 1 102 102 VAL CG1 C 13 21.209 0.08 . . . . . . . 102 VAL CG1 . 28101 1 1078 . 1 . 1 102 102 VAL CG2 C 13 21.283 0.18 . . . . . . . 102 VAL CG2 . 28101 1 1079 . 1 . 1 102 102 VAL N N 15 120.607 0.14 . . . . . . . 102 VAL N . 28101 1 1080 . 1 . 1 103 103 SER H H 1 8.858 0.01 . . . . . . . 103 SER H . 28101 1 1081 . 1 . 1 103 103 SER HA H 1 4.482 0.01 . . . . . . . 103 SER HA . 28101 1 1082 . 1 . 1 103 103 SER HB2 H 1 4.357 0.02 . . . . . . . 103 SER HB2 . 28101 1 1083 . 1 . 1 103 103 SER HB3 H 1 4.066 0.01 . . . . . . . 103 SER HB3 . 28101 1 1084 . 1 . 1 103 103 SER C C 13 174.910 0.00 . . . . . . . 103 SER C . 28101 1 1085 . 1 . 1 103 103 SER CA C 13 56.946 0.04 . . . . . . . 103 SER CA . 28101 1 1086 . 1 . 1 103 103 SER CB C 13 65.617 0.02 . . . . . . . 103 SER CB . 28101 1 1087 . 1 . 1 103 103 SER N N 15 120.759 0.13 . . . . . . . 103 SER N . 28101 1 1088 . 1 . 1 104 104 GLN H H 1 8.941 0.01 . . . . . . . 104 GLN H . 28101 1 1089 . 1 . 1 104 104 GLN HA H 1 3.792 0.01 . . . . . . . 104 GLN HA . 28101 1 1090 . 1 . 1 104 104 GLN HB2 H 1 2.167 0.02 . . . . . . . 104 GLN HB2 . 28101 1 1091 . 1 . 1 104 104 GLN HB3 H 1 1.993 0.03 . . . . . . . 104 GLN HB3 . 28101 1 1092 . 1 . 1 104 104 GLN HG2 H 1 2.348 0.01 . . . . . . . 104 GLN HG . 28101 1 1093 . 1 . 1 104 104 GLN HG3 H 1 2.348 0.01 . . . . . . . 104 GLN HG . 28101 1 1094 . 1 . 1 104 104 GLN C C 13 178.457 0.00 . . . . . . . 104 GLN C . 28101 1 1095 . 1 . 1 104 104 GLN CA C 13 59.306 0.04 . . . . . . . 104 GLN CA . 28101 1 1096 . 1 . 1 104 104 GLN CB C 13 29.069 0.10 . . . . . . . 104 GLN CB . 28101 1 1097 . 1 . 1 104 104 GLN CG C 13 33.751 0.08 . . . . . . . 104 GLN CG . 28101 1 1098 . 1 . 1 104 104 GLN N N 15 121.411 0.09 . . . . . . . 104 GLN N . 28101 1 1099 . 1 . 1 105 105 GLU H H 1 8.950 0.01 . . . . . . . 105 GLU H . 28101 1 1100 . 1 . 1 105 105 GLU HA H 1 4.044 0.01 . . . . . . . 105 GLU HA . 28101 1 1101 . 1 . 1 105 105 GLU HB2 H 1 1.927 0.03 . . . . . . . 105 GLU HB . 28101 1 1102 . 1 . 1 105 105 GLU HB3 H 1 1.927 0.03 . . . . . . . 105 GLU HB . 28101 1 1103 . 1 . 1 105 105 GLU HG2 H 1 2.397 0.01 . . . . . . . 105 GLU HG2 . 28101 1 1104 . 1 . 1 105 105 GLU HG3 H 1 2.222 0.02 . . . . . . . 105 GLU HG3 . 28101 1 1105 . 1 . 1 105 105 GLU C C 13 179.315 0.00 . . . . . . . 105 GLU C . 28101 1 1106 . 1 . 1 105 105 GLU CA C 13 60.119 0.04 . . . . . . . 105 GLU CA . 28101 1 1107 . 1 . 1 105 105 GLU CB C 13 28.846 0.02 . . . . . . . 105 GLU CB . 28101 1 1108 . 1 . 1 105 105 GLU CG C 13 37.043 0.08 . . . . . . . 105 GLU CG . 28101 1 1109 . 1 . 1 105 105 GLU N N 15 118.200 0.09 . . . . . . . 105 GLU N . 28101 1 1110 . 1 . 1 106 106 ASP H H 1 7.964 0.01 . . . . . . . 106 ASP H . 28101 1 1111 . 1 . 1 106 106 ASP HA H 1 4.277 0.01 . . . . . . . 106 ASP HA . 28101 1 1112 . 1 . 1 106 106 ASP HB2 H 1 2.819 0.01 . . . . . . . 106 ASP HB2 . 28101 1 1113 . 1 . 1 106 106 ASP HB3 H 1 2.349 0.03 . . . . . . . 106 ASP HB3 . 28101 1 1114 . 1 . 1 106 106 ASP C C 13 177.815 0.00 . . . . . . . 106 ASP C . 28101 1 1115 . 1 . 1 106 106 ASP CA C 13 56.882 0.06 . . . . . . . 106 ASP CA . 28101 1 1116 . 1 . 1 106 106 ASP CB C 13 39.464 0.04 . . . . . . . 106 ASP CB . 28101 1 1117 . 1 . 1 106 106 ASP N N 15 121.509 0.09 . . . . . . . 106 ASP N . 28101 1 1118 . 1 . 1 107 107 PHE H H 1 8.814 0.01 . . . . . . . 107 PHE H . 28101 1 1119 . 1 . 1 107 107 PHE HA H 1 4.017 0.01 . . . . . . . 107 PHE HA . 28101 1 1120 . 1 . 1 107 107 PHE HB2 H 1 3.166 0.02 . . . . . . . 107 PHE HB . 28101 1 1121 . 1 . 1 107 107 PHE HB3 H 1 3.166 0.02 . . . . . . . 107 PHE HB . 28101 1 1122 . 1 . 1 107 107 PHE HD1 H 1 7.254 0.00 . . . . . . . 107 PHE HD . 28101 1 1123 . 1 . 1 107 107 PHE HD2 H 1 7.254 0.00 . . . . . . . 107 PHE HD . 28101 1 1124 . 1 . 1 107 107 PHE HE1 H 1 7.342 0.01 . . . . . . . 107 PHE HE . 28101 1 1125 . 1 . 1 107 107 PHE HE2 H 1 7.342 0.01 . . . . . . . 107 PHE HE . 28101 1 1126 . 1 . 1 107 107 PHE HZ H 1 7.109 0.00 . . . . . . . 107 PHE HZ . 28101 1 1127 . 1 . 1 107 107 PHE C C 13 176.245 0.00 . . . . . . . 107 PHE C . 28101 1 1128 . 1 . 1 107 107 PHE CA C 13 62.461 0.04 . . . . . . . 107 PHE CA . 28101 1 1129 . 1 . 1 107 107 PHE CB C 13 39.582 0.05 . . . . . . . 107 PHE CB . 28101 1 1130 . 1 . 1 107 107 PHE CD1 C 13 131.912 0.06 . . . . . . . 107 PHE CD . 28101 1 1131 . 1 . 1 107 107 PHE CD2 C 13 131.912 0.06 . . . . . . . 107 PHE CD . 28101 1 1132 . 1 . 1 107 107 PHE CE1 C 13 131.345 0.09 . . . . . . . 107 PHE CE . 28101 1 1133 . 1 . 1 107 107 PHE CE2 C 13 131.345 0.09 . . . . . . . 107 PHE CE . 28101 1 1134 . 1 . 1 107 107 PHE CZ C 13 131.870 0.06 . . . . . . . 107 PHE CZ . 28101 1 1135 . 1 . 1 107 107 PHE N N 15 121.903 0.08 . . . . . . . 107 PHE N . 28101 1 1136 . 1 . 1 108 108 ALA H H 1 7.940 0.01 . . . . . . . 108 ALA H . 28101 1 1137 . 1 . 1 108 108 ALA HA H 1 3.839 0.01 . . . . . . . 108 ALA HA . 28101 1 1138 . 1 . 1 108 108 ALA HB1 H 1 1.666 0.01 . . . . . . . 108 ALA HB . 28101 1 1139 . 1 . 1 108 108 ALA HB2 H 1 1.666 0.01 . . . . . . . 108 ALA HB . 28101 1 1140 . 1 . 1 108 108 ALA HB3 H 1 1.666 0.01 . . . . . . . 108 ALA HB . 28101 1 1141 . 1 . 1 108 108 ALA C C 13 179.784 0.00 . . . . . . . 108 ALA C . 28101 1 1142 . 1 . 1 108 108 ALA CA C 13 55.290 0.02 . . . . . . . 108 ALA CA . 28101 1 1143 . 1 . 1 108 108 ALA CB C 13 17.871 0.03 . . . . . . . 108 ALA CB . 28101 1 1144 . 1 . 1 108 108 ALA N N 15 118.841 0.09 . . . . . . . 108 ALA N . 28101 1 1145 . 1 . 1 109 109 SER H H 1 7.760 0.01 . . . . . . . 109 SER H . 28101 1 1146 . 1 . 1 109 109 SER HA H 1 4.259 0.03 . . . . . . . 109 SER HA . 28101 1 1147 . 1 . 1 109 109 SER HB2 H 1 3.920 0.06 . . . . . . . 109 SER HB2 . 28101 1 1148 . 1 . 1 109 109 SER HB3 H 1 3.795 0.01 . . . . . . . 109 SER HB3 . 28101 1 1149 . 1 . 1 109 109 SER C C 13 177.696 0.00 . . . . . . . 109 SER C . 28101 1 1150 . 1 . 1 109 109 SER CA C 13 61.712 0.14 . . . . . . . 109 SER CA . 28101 1 1151 . 1 . 1 109 109 SER CB C 13 62.557 0.08 . . . . . . . 109 SER CB . 28101 1 1152 . 1 . 1 109 109 SER N N 15 113.943 0.10 . . . . . . . 109 SER N . 28101 1 1153 . 1 . 1 110 110 TYR H H 1 8.384 0.01 . . . . . . . 110 TYR H . 28101 1 1154 . 1 . 1 110 110 TYR HA H 1 4.343 0.01 . . . . . . . 110 TYR HA . 28101 1 1155 . 1 . 1 110 110 TYR HB2 H 1 2.952 0.02 . . . . . . . 110 TYR HB2 . 28101 1 1156 . 1 . 1 110 110 TYR HB3 H 1 2.639 0.01 . . . . . . . 110 TYR HB3 . 28101 1 1157 . 1 . 1 110 110 TYR HD1 H 1 6.943 0.01 . . . . . . . 110 TYR HD . 28101 1 1158 . 1 . 1 110 110 TYR HD2 H 1 6.943 0.01 . . . . . . . 110 TYR HD . 28101 1 1159 . 1 . 1 110 110 TYR HE1 H 1 6.822 0.01 . . . . . . . 110 TYR HE . 28101 1 1160 . 1 . 1 110 110 TYR HE2 H 1 6.822 0.01 . . . . . . . 110 TYR HE . 28101 1 1161 . 1 . 1 110 110 TYR C C 13 178.980 0.00 . . . . . . . 110 TYR C . 28101 1 1162 . 1 . 1 110 110 TYR CA C 13 60.849 0.05 . . . . . . . 110 TYR CA . 28101 1 1163 . 1 . 1 110 110 TYR CB C 13 37.475 0.06 . . . . . . . 110 TYR CB . 28101 1 1164 . 1 . 1 110 110 TYR CD1 C 13 132.655 0.02 . . . . . . . 110 TYR CD . 28101 1 1165 . 1 . 1 110 110 TYR CD2 C 13 132.655 0.02 . . . . . . . 110 TYR CD . 28101 1 1166 . 1 . 1 110 110 TYR CE1 C 13 118.227 0.00 . . . . . . . 110 TYR CE . 28101 1 1167 . 1 . 1 110 110 TYR CE2 C 13 118.227 0.00 . . . . . . . 110 TYR CE . 28101 1 1168 . 1 . 1 110 110 TYR N N 15 122.655 0.10 . . . . . . . 110 TYR N . 28101 1 1169 . 1 . 1 111 111 ILE H H 1 7.836 0.01 . . . . . . . 111 ILE H . 28101 1 1170 . 1 . 1 111 111 ILE HA H 1 3.285 0.01 . . . . . . . 111 ILE HA . 28101 1 1171 . 1 . 1 111 111 ILE HB H 1 1.525 0.01 . . . . . . . 111 ILE HB . 28101 1 1172 . 1 . 1 111 111 ILE HG12 H 1 0.699 0.02 . . . . . . . 111 ILE HG1 . 28101 1 1173 . 1 . 1 111 111 ILE HG13 H 1 0.699 0.02 . . . . . . . 111 ILE HG1 . 28101 1 1174 . 1 . 1 111 111 ILE HG21 H 1 0.692 0.02 . . . . . . . 111 ILE HG2 . 28101 1 1175 . 1 . 1 111 111 ILE HG22 H 1 0.692 0.02 . . . . . . . 111 ILE HG2 . 28101 1 1176 . 1 . 1 111 111 ILE HG23 H 1 0.692 0.02 . . . . . . . 111 ILE HG2 . 28101 1 1177 . 1 . 1 111 111 ILE HD11 H 1 0.450 0.02 . . . . . . . 111 ILE HD1 . 28101 1 1178 . 1 . 1 111 111 ILE HD12 H 1 0.450 0.02 . . . . . . . 111 ILE HD1 . 28101 1 1179 . 1 . 1 111 111 ILE HD13 H 1 0.450 0.02 . . . . . . . 111 ILE HD1 . 28101 1 1180 . 1 . 1 111 111 ILE C C 13 177.507 0.00 . . . . . . . 111 ILE C . 28101 1 1181 . 1 . 1 111 111 ILE CA C 13 65.221 0.05 . . . . . . . 111 ILE CA . 28101 1 1182 . 1 . 1 111 111 ILE CB C 13 35.976 0.04 . . . . . . . 111 ILE CB . 28101 1 1183 . 1 . 1 111 111 ILE CG1 C 13 28.377 0.05 . . . . . . . 111 ILE CG1 . 28101 1 1184 . 1 . 1 111 111 ILE CG2 C 13 17.913 0.01 . . . . . . . 111 ILE CG2 . 28101 1 1185 . 1 . 1 111 111 ILE CD1 C 13 20.934 4.71 . . . . . . . 111 ILE CD1 . 28101 1 1186 . 1 . 1 111 111 ILE N N 15 120.508 0.11 . . . . . . . 111 ILE N . 28101 1 1187 . 1 . 1 112 112 GLU H H 1 8.430 0.01 . . . . . . . 112 GLU H . 28101 1 1188 . 1 . 1 112 112 GLU HA H 1 3.914 0.01 . . . . . . . 112 GLU HA . 28101 1 1189 . 1 . 1 112 112 GLU HB2 H 1 2.099 0.04 . . . . . . . 112 GLU HB . 28101 1 1190 . 1 . 1 112 112 GLU HB3 H 1 2.099 0.04 . . . . . . . 112 GLU HB . 28101 1 1191 . 1 . 1 112 112 GLU HG2 H 1 2.494 0.01 . . . . . . . 112 GLU HG2 . 28101 1 1192 . 1 . 1 112 112 GLU HG3 H 1 2.247 0.02 . . . . . . . 112 GLU HG3 . 28101 1 1193 . 1 . 1 112 112 GLU C C 13 178.574 0.00 . . . . . . . 112 GLU C . 28101 1 1194 . 1 . 1 112 112 GLU CA C 13 59.961 0.05 . . . . . . . 112 GLU CA . 28101 1 1195 . 1 . 1 112 112 GLU CB C 13 29.442 0.03 . . . . . . . 112 GLU CB . 28101 1 1196 . 1 . 1 112 112 GLU CG C 13 36.740 0.01 . . . . . . . 112 GLU CG . 28101 1 1197 . 1 . 1 112 112 GLU N N 15 119.666 0.14 . . . . . . . 112 GLU N . 28101 1 1198 . 1 . 1 113 113 SER H H 1 7.979 0.01 . . . . . . . 113 SER H . 28101 1 1199 . 1 . 1 113 113 SER HA H 1 4.266 0.01 . . . . . . . 113 SER HA . 28101 1 1200 . 1 . 1 113 113 SER HB2 H 1 4.012 0.02 . . . . . . . 113 SER HB . 28101 1 1201 . 1 . 1 113 113 SER HB3 H 1 4.012 0.02 . . . . . . . 113 SER HB . 28101 1 1202 . 1 . 1 113 113 SER C C 13 176.656 0.00 . . . . . . . 113 SER C . 28101 1 1203 . 1 . 1 113 113 SER CA C 13 61.729 0.05 . . . . . . . 113 SER CA . 28101 1 1204 . 1 . 1 113 113 SER CB C 13 62.727 0.04 . . . . . . . 113 SER CB . 28101 1 1205 . 1 . 1 113 113 SER N N 15 114.276 0.10 . . . . . . . 113 SER N . 28101 1 1206 . 1 . 1 114 114 VAL H H 1 7.628 0.01 . . . . . . . 114 VAL H . 28101 1 1207 . 1 . 1 114 114 VAL HA H 1 3.574 0.01 . . . . . . . 114 VAL HA . 28101 1 1208 . 1 . 1 114 114 VAL HB H 1 2.087 0.02 . . . . . . . 114 VAL HB . 28101 1 1209 . 1 . 1 114 114 VAL HG11 H 1 0.796 0.05 . . . . . . . 114 VAL HG1 . 28101 1 1210 . 1 . 1 114 114 VAL HG12 H 1 0.796 0.05 . . . . . . . 114 VAL HG1 . 28101 1 1211 . 1 . 1 114 114 VAL HG13 H 1 0.796 0.05 . . . . . . . 114 VAL HG1 . 28101 1 1212 . 1 . 1 114 114 VAL HG21 H 1 0.736 0.02 . . . . . . . 114 VAL HG2 . 28101 1 1213 . 1 . 1 114 114 VAL HG22 H 1 0.736 0.02 . . . . . . . 114 VAL HG2 . 28101 1 1214 . 1 . 1 114 114 VAL HG23 H 1 0.736 0.02 . . . . . . . 114 VAL HG2 . 28101 1 1215 . 1 . 1 114 114 VAL C C 13 177.238 0.00 . . . . . . . 114 VAL C . 28101 1 1216 . 1 . 1 114 114 VAL CA C 13 66.850 0.07 . . . . . . . 114 VAL CA . 28101 1 1217 . 1 . 1 114 114 VAL CB C 13 31.254 0.05 . . . . . . . 114 VAL CB . 28101 1 1218 . 1 . 1 114 114 VAL CG1 C 13 21.904 0.17 . . . . . . . 114 VAL CG1 . 28101 1 1219 . 1 . 1 114 114 VAL CG2 C 13 22.261 0.03 . . . . . . . 114 VAL CG2 . 28101 1 1220 . 1 . 1 114 114 VAL N N 15 122.807 0.07 . . . . . . . 114 VAL N . 28101 1 1221 . 1 . 1 115 115 LEU H H 1 8.333 0.01 . . . . . . . 115 LEU H . 28101 1 1222 . 1 . 1 115 115 LEU HA H 1 3.915 0.02 . . . . . . . 115 LEU HA . 28101 1 1223 . 1 . 1 115 115 LEU HB2 H 1 1.857 0.07 . . . . . . . 115 LEU HB2 . 28101 1 1224 . 1 . 1 115 115 LEU HB3 H 1 1.616 0.03 . . . . . . . 115 LEU HB3 . 28101 1 1225 . 1 . 1 115 115 LEU HG H 1 1.677 0.01 . . . . . . . 115 LEU HG . 28101 1 1226 . 1 . 1 115 115 LEU HD11 H 1 0.915 0.02 . . . . . . . 115 LEU HD . 28101 1 1227 . 1 . 1 115 115 LEU HD12 H 1 0.915 0.02 . . . . . . . 115 LEU HD . 28101 1 1228 . 1 . 1 115 115 LEU HD13 H 1 0.915 0.02 . . . . . . . 115 LEU HD . 28101 1 1229 . 1 . 1 115 115 LEU HD21 H 1 0.915 0.02 . . . . . . . 115 LEU HD . 28101 1 1230 . 1 . 1 115 115 LEU HD22 H 1 0.915 0.02 . . . . . . . 115 LEU HD . 28101 1 1231 . 1 . 1 115 115 LEU HD23 H 1 0.915 0.02 . . . . . . . 115 LEU HD . 28101 1 1232 . 1 . 1 115 115 LEU C C 13 178.528 0.00 . . . . . . . 115 LEU C . 28101 1 1233 . 1 . 1 115 115 LEU CA C 13 58.299 0.04 . . . . . . . 115 LEU CA . 28101 1 1234 . 1 . 1 115 115 LEU CB C 13 41.216 0.02 . . . . . . . 115 LEU CB . 28101 1 1235 . 1 . 1 115 115 LEU CG C 13 27.066 0.06 . . . . . . . 115 LEU CG . 28101 1 1236 . 1 . 1 115 115 LEU CD1 C 13 24.381 0.01 . . . . . . . 115 LEU CD . 28101 1 1237 . 1 . 1 115 115 LEU CD2 C 13 24.381 0.01 . . . . . . . 115 LEU CD . 28101 1 1238 . 1 . 1 115 115 LEU N N 15 120.626 0.12 . . . . . . . 115 LEU N . 28101 1 1239 . 1 . 1 116 116 ASN H H 1 8.452 0.01 . . . . . . . 116 ASN H . 28101 1 1240 . 1 . 1 116 116 ASN HA H 1 4.476 0.01 . . . . . . . 116 ASN HA . 28101 1 1241 . 1 . 1 116 116 ASN HB2 H 1 2.877 0.02 . . . . . . . 116 ASN HB2 . 28101 1 1242 . 1 . 1 116 116 ASN HB3 H 1 2.740 0.03 . . . . . . . 116 ASN HB3 . 28101 1 1243 . 1 . 1 116 116 ASN C C 13 178.487 0.00 . . . . . . . 116 ASN C . 28101 1 1244 . 1 . 1 116 116 ASN CA C 13 56.290 0.17 . . . . . . . 116 ASN CA . 28101 1 1245 . 1 . 1 116 116 ASN CB C 13 38.271 0.07 . . . . . . . 116 ASN CB . 28101 1 1246 . 1 . 1 116 116 ASN N N 15 117.193 0.13 . . . . . . . 116 ASN N . 28101 1 1247 . 1 . 1 117 117 TYR H H 1 7.941 0.01 . . . . . . . 117 TYR H . 28101 1 1248 . 1 . 1 117 117 TYR HA H 1 4.282 0.01 . . . . . . . 117 TYR HA . 28101 1 1249 . 1 . 1 117 117 TYR HB2 H 1 3.070 0.02 . . . . . . . 117 TYR HB2 . 28101 1 1250 . 1 . 1 117 117 TYR HB3 H 1 3.121 0.05 . . . . . . . 117 TYR HB3 . 28101 1 1251 . 1 . 1 117 117 TYR HD1 H 1 7.170 0.01 . . . . . . . 117 TYR HD1 . 28101 1 1252 . 1 . 1 117 117 TYR HD2 H 1 7.029 0.00 . . . . . . . 117 TYR HD2 . 28101 1 1253 . 1 . 1 117 117 TYR HE1 H 1 6.877 0.00 . . . . . . . 117 TYR HE1 . 28101 1 1254 . 1 . 1 117 117 TYR HE2 H 1 6.702 0.00 . . . . . . . 117 TYR HE2 . 28101 1 1255 . 1 . 1 117 117 TYR C C 13 177.582 0.00 . . . . . . . 117 TYR C . 28101 1 1256 . 1 . 1 117 117 TYR CA C 13 60.973 0.04 . . . . . . . 117 TYR CA . 28101 1 1257 . 1 . 1 117 117 TYR CB C 13 38.313 0.05 . . . . . . . 117 TYR CB . 28101 1 1258 . 1 . 1 117 117 TYR CD1 C 13 133.541 0.00 . . . . . . . 117 TYR CD1 . 28101 1 1259 . 1 . 1 117 117 TYR CD2 C 13 132.945 0.01 . . . . . . . 117 TYR CD2 . 28101 1 1260 . 1 . 1 117 117 TYR CE1 C 13 118.558 0.03 . . . . . . . 117 TYR CE1 . 28101 1 1261 . 1 . 1 117 117 TYR CE2 C 13 118.167 0.01 . . . . . . . 117 TYR CE2 . 28101 1 1262 . 1 . 1 117 117 TYR N N 15 121.247 0.10 . . . . . . . 117 TYR N . 28101 1 1263 . 1 . 1 118 118 ALA H H 1 8.695 0.01 . . . . . . . 118 ALA H . 28101 1 1264 . 1 . 1 118 118 ALA HA H 1 3.959 0.01 . . . . . . . 118 ALA HA . 28101 1 1265 . 1 . 1 118 118 ALA HB1 H 1 1.417 0.01 . . . . . . . 118 ALA HB . 28101 1 1266 . 1 . 1 118 118 ALA HB2 H 1 1.417 0.01 . . . . . . . 118 ALA HB . 28101 1 1267 . 1 . 1 118 118 ALA HB3 H 1 1.417 0.01 . . . . . . . 118 ALA HB . 28101 1 1268 . 1 . 1 118 118 ALA C C 13 178.917 0.00 . . . . . . . 118 ALA C . 28101 1 1269 . 1 . 1 118 118 ALA CA C 13 55.440 0.03 . . . . . . . 118 ALA CA . 28101 1 1270 . 1 . 1 118 118 ALA CB C 13 18.280 0.06 . . . . . . . 118 ALA CB . 28101 1 1271 . 1 . 1 118 118 ALA N N 15 121.638 0.17 . . . . . . . 118 ALA N . 28101 1 1272 . 1 . 1 119 119 GLU H H 1 8.477 0.01 . . . . . . . 119 GLU H . 28101 1 1273 . 1 . 1 119 119 GLU HA H 1 3.935 0.02 . . . . . . . 119 GLU HA . 28101 1 1274 . 1 . 1 119 119 GLU HB2 H 1 2.204 0.05 . . . . . . . 119 GLU HB2 . 28101 1 1275 . 1 . 1 119 119 GLU HB3 H 1 2.099 0.05 . . . . . . . 119 GLU HB3 . 28101 1 1276 . 1 . 1 119 119 GLU HG2 H 1 2.515 0.01 . . . . . . . 119 GLU HG . 28101 1 1277 . 1 . 1 119 119 GLU HG3 H 1 2.515 0.01 . . . . . . . 119 GLU HG . 28101 1 1278 . 1 . 1 119 119 GLU C C 13 179.017 0.00 . . . . . . . 119 GLU C . 28101 1 1279 . 1 . 1 119 119 GLU CA C 13 59.856 0.06 . . . . . . . 119 GLU CA . 28101 1 1280 . 1 . 1 119 119 GLU CB C 13 29.336 0.31 . . . . . . . 119 GLU CB . 28101 1 1281 . 1 . 1 119 119 GLU CG C 13 37.141 0.01 . . . . . . . 119 GLU CG . 28101 1 1282 . 1 . 1 119 119 GLU N N 15 116.020 0.13 . . . . . . . 119 GLU N . 28101 1 1283 . 1 . 1 120 120 ALA H H 1 7.668 0.01 . . . . . . . 120 ALA H . 28101 1 1284 . 1 . 1 120 120 ALA HA H 1 4.194 0.01 . . . . . . . 120 ALA HA . 28101 1 1285 . 1 . 1 120 120 ALA HB1 H 1 1.451 0.01 . . . . . . . 120 ALA HB . 28101 1 1286 . 1 . 1 120 120 ALA HB2 H 1 1.451 0.01 . . . . . . . 120 ALA HB . 28101 1 1287 . 1 . 1 120 120 ALA HB3 H 1 1.451 0.01 . . . . . . . 120 ALA HB . 28101 1 1288 . 1 . 1 120 120 ALA C C 13 176.259 0.00 . . . . . . . 120 ALA C . 28101 1 1289 . 1 . 1 120 120 ALA CA C 13 54.803 0.13 . . . . . . . 120 ALA CA . 28101 1 1290 . 1 . 1 120 120 ALA CB C 13 18.141 0.02 . . . . . . . 120 ALA CB . 28101 1 1291 . 1 . 1 120 120 ALA N N 15 122.185 0.10 . . . . . . . 120 ALA N . 28101 1 1292 . 1 . 1 121 121 TRP H H 1 8.248 0.01 . . . . . . . 121 TRP H . 28101 1 1293 . 1 . 1 121 121 TRP HA H 1 4.250 0.01 . . . . . . . 121 TRP HA . 28101 1 1294 . 1 . 1 121 121 TRP HB2 H 1 3.301 0.10 . . . . . . . 121 TRP HB2 . 28101 1 1295 . 1 . 1 121 121 TRP HB3 H 1 3.141 0.07 . . . . . . . 121 TRP HB3 . 28101 1 1296 . 1 . 1 121 121 TRP HD1 H 1 7.402 0.07 . . . . . . . 121 TRP HD1 . 28101 1 1297 . 1 . 1 121 121 TRP HE3 H 1 7.026 0.01 . . . . . . . 121 TRP HE3 . 28101 1 1298 . 1 . 1 121 121 TRP HZ2 H 1 7.232 0.01 . . . . . . . 121 TRP HZ2 . 28101 1 1299 . 1 . 1 121 121 TRP HZ3 H 1 6.888 0.01 . . . . . . . 121 TRP HZ3 . 28101 1 1300 . 1 . 1 121 121 TRP HH2 H 1 6.976 0.01 . . . . . . . 121 TRP HH2 . 28101 1 1301 . 1 . 1 121 121 TRP C C 13 177.865 0.00 . . . . . . . 121 TRP C . 28101 1 1302 . 1 . 1 121 121 TRP CA C 13 60.222 0.09 . . . . . . . 121 TRP CA . 28101 1 1303 . 1 . 1 121 121 TRP CB C 13 29.057 0.08 . . . . . . . 121 TRP CB . 28101 1 1304 . 1 . 1 121 121 TRP CD1 C 13 120.387 0.17 . . . . . . . 121 TRP CD1 . 28101 1 1305 . 1 . 1 121 121 TRP CE3 C 13 126.281 0.06 . . . . . . . 121 TRP CE3 . 28101 1 1306 . 1 . 1 121 121 TRP CZ2 C 13 114.059 0.06 . . . . . . . 121 TRP CZ2 . 28101 1 1307 . 1 . 1 121 121 TRP CZ3 C 13 121.493 0.07 . . . . . . . 121 TRP CZ3 . 28101 1 1308 . 1 . 1 121 121 TRP CH2 C 13 124.019 0.12 . . . . . . . 121 TRP CH2 . 28101 1 1309 . 1 . 1 121 121 TRP N N 15 120.889 0.10 . . . . . . . 121 TRP N . 28101 1 1310 . 1 . 1 122 122 LEU H H 1 8.234 0.01 . . . . . . . 122 LEU H . 28101 1 1311 . 1 . 1 122 122 LEU HA H 1 3.893 0.12 . . . . . . . 122 LEU HA . 28101 1 1312 . 1 . 1 122 122 LEU HB2 H 1 1.889 0.02 . . . . . . . 122 LEU HB2 . 28101 1 1313 . 1 . 1 122 122 LEU HB3 H 1 1.386 0.04 . . . . . . . 122 LEU HB3 . 28101 1 1314 . 1 . 1 122 122 LEU HG H 1 1.506 0.35 . . . . . . . 122 LEU HG . 28101 1 1315 . 1 . 1 122 122 LEU HD11 H 1 0.840 0.02 . . . . . . . 122 LEU HD1 . 28101 1 1316 . 1 . 1 122 122 LEU HD12 H 1 0.840 0.02 . . . . . . . 122 LEU HD1 . 28101 1 1317 . 1 . 1 122 122 LEU HD13 H 1 0.840 0.02 . . . . . . . 122 LEU HD1 . 28101 1 1318 . 1 . 1 122 122 LEU HD21 H 1 0.830 0.03 . . . . . . . 122 LEU HD2 . 28101 1 1319 . 1 . 1 122 122 LEU HD22 H 1 0.830 0.03 . . . . . . . 122 LEU HD2 . 28101 1 1320 . 1 . 1 122 122 LEU HD23 H 1 0.830 0.03 . . . . . . . 122 LEU HD2 . 28101 1 1321 . 1 . 1 122 122 LEU C C 13 177.101 0.00 . . . . . . . 122 LEU C . 28101 1 1322 . 1 . 1 122 122 LEU CA C 13 57.710 0.08 . . . . . . . 122 LEU CA . 28101 1 1323 . 1 . 1 122 122 LEU CB C 13 41.792 0.04 . . . . . . . 122 LEU CB . 28101 1 1324 . 1 . 1 122 122 LEU CG C 13 26.975 0.10 . . . . . . . 122 LEU CG . 28101 1 1325 . 1 . 1 122 122 LEU CD1 C 13 25.992 0.01 . . . . . . . 122 LEU CD1 . 28101 1 1326 . 1 . 1 122 122 LEU CD2 C 13 23.690 0.01 . . . . . . . 122 LEU CD2 . 28101 1 1327 . 1 . 1 122 122 LEU N N 15 117.546 0.09 . . . . . . . 122 LEU N . 28101 1 1328 . 1 . 1 123 123 GLU H H 1 7.924 0.01 . . . . . . . 123 GLU H . 28101 1 1329 . 1 . 1 123 123 GLU HA H 1 4.073 0.01 . . . . . . . 123 GLU HA . 28101 1 1330 . 1 . 1 123 123 GLU HB2 H 1 2.094 0.01 . . . . . . . 123 GLU HB . 28101 1 1331 . 1 . 1 123 123 GLU HB3 H 1 2.094 0.01 . . . . . . . 123 GLU HB . 28101 1 1332 . 1 . 1 123 123 GLU HG2 H 1 2.250 0.02 . . . . . . . 123 GLU HG . 28101 1 1333 . 1 . 1 123 123 GLU HG3 H 1 2.250 0.02 . . . . . . . 123 GLU HG . 28101 1 1334 . 1 . 1 123 123 GLU C C 13 179.090 0.00 . . . . . . . 123 GLU C . 28101 1 1335 . 1 . 1 123 123 GLU CA C 13 58.951 0.04 . . . . . . . 123 GLU CA . 28101 1 1336 . 1 . 1 123 123 GLU CB C 13 29.444 0.03 . . . . . . . 123 GLU CB . 28101 1 1337 . 1 . 1 123 123 GLU CG C 13 36.269 0.03 . . . . . . . 123 GLU CG . 28101 1 1338 . 1 . 1 123 123 GLU N N 15 119.616 0.11 . . . . . . . 123 GLU N . 28101 1 1339 . 1 . 1 124 124 ASP H H 1 9.977 4.19 . . . . . . . 124 ASP H . 28101 1 1340 . 1 . 1 124 124 ASP HA H 1 4.397 0.01 . . . . . . . 124 ASP HA . 28101 1 1341 . 1 . 1 124 124 ASP HB2 H 1 2.632 0.01 . . . . . . . 124 ASP HB . 28101 1 1342 . 1 . 1 124 124 ASP HB3 H 1 2.632 0.01 . . . . . . . 124 ASP HB . 28101 1 1343 . 1 . 1 124 124 ASP C C 13 177.911 0.00 . . . . . . . 124 ASP C . 28101 1 1344 . 1 . 1 124 124 ASP CA C 13 56.766 0.06 . . . . . . . 124 ASP CA . 28101 1 1345 . 1 . 1 124 124 ASP CB C 13 41.343 0.01 . . . . . . . 124 ASP CB . 28101 1 1346 . 1 . 1 124 124 ASP N N 15 121.167 0.10 . . . . . . . 124 ASP N . 28101 1 1347 . 1 . 1 125 125 LEU H H 1 7.903 0.01 . . . . . . . 125 LEU H . 28101 1 1348 . 1 . 1 125 125 LEU HA H 1 4.054 0.01 . . . . . . . 125 LEU HA . 28101 1 1349 . 1 . 1 125 125 LEU HB2 H 1 1.567 0.06 . . . . . . . 125 LEU HB2 . 28101 1 1350 . 1 . 1 125 125 LEU HB3 H 1 1.463 0.02 . . . . . . . 125 LEU HB3 . 28101 1 1351 . 1 . 1 125 125 LEU HG H 1 1.526 0.01 . . . . . . . 125 LEU HG . 28101 1 1352 . 1 . 1 125 125 LEU HD11 H 1 0.566 0.06 . . . . . . . 125 LEU HD1 . 28101 1 1353 . 1 . 1 125 125 LEU HD12 H 1 0.566 0.06 . . . . . . . 125 LEU HD1 . 28101 1 1354 . 1 . 1 125 125 LEU HD13 H 1 0.566 0.06 . . . . . . . 125 LEU HD1 . 28101 1 1355 . 1 . 1 125 125 LEU HD21 H 1 0.637 0.04 . . . . . . . 125 LEU HD2 . 28101 1 1356 . 1 . 1 125 125 LEU HD22 H 1 0.637 0.04 . . . . . . . 125 LEU HD2 . 28101 1 1357 . 1 . 1 125 125 LEU HD23 H 1 0.637 0.04 . . . . . . . 125 LEU HD2 . 28101 1 1358 . 1 . 1 125 125 LEU C C 13 178.081 0.00 . . . . . . . 125 LEU C . 28101 1 1359 . 1 . 1 125 125 LEU CA C 13 55.920 0.04 . . . . . . . 125 LEU CA . 28101 1 1360 . 1 . 1 125 125 LEU CB C 13 42.442 0.02 . . . . . . . 125 LEU CB . 28101 1 1361 . 1 . 1 125 125 LEU CG C 13 26.845 0.05 . . . . . . . 125 LEU CG . 28101 1 1362 . 1 . 1 125 125 LEU CD1 C 13 25.170 0.02 . . . . . . . 125 LEU CD1 . 28101 1 1363 . 1 . 1 125 125 LEU CD2 C 13 23.444 0.06 . . . . . . . 125 LEU CD2 . 28101 1 1364 . 1 . 1 125 125 LEU N N 15 118.738 0.10 . . . . . . . 125 LEU N . 28101 1 1365 . 1 . 1 126 126 GLY H H 1 7.877 0.01 . . . . . . . 126 GLY H . 28101 1 1366 . 1 . 1 126 126 GLY HA2 H 1 3.904 0.01 . . . . . . . 126 GLY HA . 28101 1 1367 . 1 . 1 126 126 GLY HA3 H 1 3.904 0.01 . . . . . . . 126 GLY HA . 28101 1 1368 . 1 . 1 126 126 GLY C C 13 175.051 0.00 . . . . . . . 126 GLY C . 28101 1 1369 . 1 . 1 126 126 GLY CA C 13 45.962 0.06 . . . . . . . 126 GLY CA . 28101 1 1370 . 1 . 1 126 126 GLY N N 15 106.780 0.11 . . . . . . . 126 GLY N . 28101 1 1371 . 1 . 1 127 127 LEU H H 1 7.858 0.02 . . . . . . . 127 LEU H . 28101 1 1372 . 1 . 1 127 127 LEU HA H 1 4.332 0.01 . . . . . . . 127 LEU HA . 28101 1 1373 . 1 . 1 127 127 LEU HB2 H 1 1.588 0.03 . . . . . . . 127 LEU HB . 28101 1 1374 . 1 . 1 127 127 LEU HB3 H 1 1.588 0.03 . . . . . . . 127 LEU HB . 28101 1 1375 . 1 . 1 127 127 LEU HG H 1 1.617 0.02 . . . . . . . 127 LEU HG . 28101 1 1376 . 1 . 1 127 127 LEU HD11 H 1 0.848 0.04 . . . . . . . 127 LEU HD1 . 28101 1 1377 . 1 . 1 127 127 LEU HD12 H 1 0.848 0.04 . . . . . . . 127 LEU HD1 . 28101 1 1378 . 1 . 1 127 127 LEU HD13 H 1 0.848 0.04 . . . . . . . 127 LEU HD1 . 28101 1 1379 . 1 . 1 127 127 LEU HD21 H 1 0.843 0.02 . . . . . . . 127 LEU HD2 . 28101 1 1380 . 1 . 1 127 127 LEU HD22 H 1 0.843 0.02 . . . . . . . 127 LEU HD2 . 28101 1 1381 . 1 . 1 127 127 LEU HD23 H 1 0.843 0.02 . . . . . . . 127 LEU HD2 . 28101 1 1382 . 1 . 1 127 127 LEU C C 13 177.178 0.00 . . . . . . . 127 LEU C . 28101 1 1383 . 1 . 1 127 127 LEU CA C 13 55.139 0.03 . . . . . . . 127 LEU CA . 28101 1 1384 . 1 . 1 127 127 LEU CB C 13 42.472 0.02 . . . . . . . 127 LEU CB . 28101 1 1385 . 1 . 1 127 127 LEU CG C 13 27.028 0.07 . . . . . . . 127 LEU CG . 28101 1 1386 . 1 . 1 127 127 LEU CD1 C 13 25.439 0.05 . . . . . . . 127 LEU CD1 . 28101 1 1387 . 1 . 1 127 127 LEU CD2 C 13 23.246 0.02 . . . . . . . 127 LEU CD2 . 28101 1 1388 . 1 . 1 127 127 LEU N N 15 120.409 0.08 . . . . . . . 127 LEU N . 28101 1 1389 . 1 . 1 128 128 SER H H 1 7.963 0.01 . . . . . . . 128 SER H . 28101 1 1390 . 1 . 1 128 128 SER HA H 1 4.397 0.03 . . . . . . . 128 SER HA . 28101 1 1391 . 1 . 1 128 128 SER HB2 H 1 3.818 0.01 . . . . . . . 128 SER HB . 28101 1 1392 . 1 . 1 128 128 SER HB3 H 1 3.818 0.01 . . . . . . . 128 SER HB . 28101 1 1393 . 1 . 1 128 128 SER C C 13 174.324 0.00 . . . . . . . 128 SER C . 28101 1 1394 . 1 . 1 128 128 SER CA C 13 58.210 0.06 . . . . . . . 128 SER CA . 28101 1 1395 . 1 . 1 128 128 SER CB C 13 63.867 0.03 . . . . . . . 128 SER CB . 28101 1 1396 . 1 . 1 128 128 SER N N 15 115.047 0.11 . . . . . . . 128 SER N . 28101 1 1397 . 1 . 1 129 129 LYS H H 1 10.074 3.41 . . . . . . . 129 LYS H . 28101 1 1398 . 1 . 1 129 129 LYS HA H 1 4.384 0.01 . . . . . . . 129 LYS HA . 28101 1 1399 . 1 . 1 129 129 LYS HB2 H 1 1.836 0.02 . . . . . . . 129 LYS HB2 . 28101 1 1400 . 1 . 1 129 129 LYS HB3 H 1 1.713 0.02 . . . . . . . 129 LYS HB3 . 28101 1 1401 . 1 . 1 129 129 LYS HG2 H 1 1.387 0.03 . . . . . . . 129 LYS HG . 28101 1 1402 . 1 . 1 129 129 LYS HG3 H 1 1.387 0.03 . . . . . . . 129 LYS HG . 28101 1 1403 . 1 . 1 129 129 LYS HD2 H 1 1.491 0.16 . . . . . . . 129 LYS HD . 28101 1 1404 . 1 . 1 129 129 LYS HD3 H 1 1.491 0.16 . . . . . . . 129 LYS HD . 28101 1 1405 . 1 . 1 129 129 LYS HE2 H 1 2.959 0.01 . . . . . . . 129 LYS HE . 28101 1 1406 . 1 . 1 129 129 LYS HE3 H 1 2.959 0.01 . . . . . . . 129 LYS HE . 28101 1 1407 . 1 . 1 129 129 LYS C C 13 176.648 0.00 . . . . . . . 129 LYS C . 28101 1 1408 . 1 . 1 129 129 LYS CA C 13 55.962 0.96 . . . . . . . 129 LYS CA . 28101 1 1409 . 1 . 1 129 129 LYS CB C 13 33.103 0.01 . . . . . . . 129 LYS CB . 28101 1 1410 . 1 . 1 129 129 LYS CG C 13 24.647 0.01 . . . . . . . 129 LYS CG . 28101 1 1411 . 1 . 1 129 129 LYS CD C 13 29.136 0.01 . . . . . . . 129 LYS CD . 28101 1 1412 . 1 . 1 129 129 LYS CE C 13 42.179 0.02 . . . . . . . 129 LYS CE . 28101 1 1413 . 1 . 1 129 129 LYS N N 15 121.300 3.35 . . . . . . . 129 LYS N . 28101 1 1414 . 1 . 1 130 130 THR H H 1 8.230 0.01 . . . . . . . 130 THR H . 28101 1 1415 . 1 . 1 130 130 THR HA H 1 4.309 0.01 . . . . . . . 130 THR HA . 28101 1 1416 . 1 . 1 130 130 THR HB H 1 4.186 0.01 . . . . . . . 130 THR HB . 28101 1 1417 . 1 . 1 130 130 THR HG21 H 1 1.175 0.01 . . . . . . . 130 THR HG2 . 28101 1 1418 . 1 . 1 130 130 THR HG22 H 1 1.175 0.01 . . . . . . . 130 THR HG2 . 28101 1 1419 . 1 . 1 130 130 THR HG23 H 1 1.175 0.01 . . . . . . . 130 THR HG2 . 28101 1 1420 . 1 . 1 130 130 THR C C 13 174.579 0.00 . . . . . . . 130 THR C . 28101 1 1421 . 1 . 1 130 130 THR CA C 13 62.236 0.49 . . . . . . . 130 THR CA . 28101 1 1422 . 1 . 1 130 130 THR CB C 13 69.871 0.03 . . . . . . . 130 THR CB . 28101 1 1423 . 1 . 1 130 130 THR CG2 C 13 21.702 0.06 . . . . . . . 130 THR CG2 . 28101 1 1424 . 1 . 1 130 130 THR N N 15 115.739 0.11 . . . . . . . 130 THR N . 28101 1 1425 . 1 . 1 131 131 GLU H H 1 8.443 0.01 . . . . . . . 131 GLU H . 28101 1 1426 . 1 . 1 131 131 GLU HA H 1 4.306 0.01 . . . . . . . 131 GLU HA . 28101 1 1427 . 1 . 1 131 131 GLU HB2 H 1 2.048 0.01 . . . . . . . 131 GLU HB2 . 28101 1 1428 . 1 . 1 131 131 GLU HB3 H 1 1.907 0.02 . . . . . . . 131 GLU HB3 . 28101 1 1429 . 1 . 1 131 131 GLU HG2 H 1 2.220 0.02 . . . . . . . 131 GLU HG . 28101 1 1430 . 1 . 1 131 131 GLU HG3 H 1 2.220 0.02 . . . . . . . 131 GLU HG . 28101 1 1431 . 1 . 1 131 131 GLU C C 13 176.121 0.00 . . . . . . . 131 GLU C . 28101 1 1432 . 1 . 1 131 131 GLU CA C 13 56.541 0.04 . . . . . . . 131 GLU CA . 28101 1 1433 . 1 . 1 131 131 GLU CB C 13 30.302 0.12 . . . . . . . 131 GLU CB . 28101 1 1434 . 1 . 1 131 131 GLU CG C 13 36.244 0.03 . . . . . . . 131 GLU CG . 28101 1 1435 . 1 . 1 131 131 GLU N N 15 123.275 0.10 . . . . . . . 131 GLU N . 28101 1 1436 . 1 . 1 132 132 GLN H H 1 8.365 0.01 . . . . . . . 132 GLN H . 28101 1 1437 . 1 . 1 132 132 GLN HA H 1 4.320 0.01 . . . . . . . 132 GLN HA . 28101 1 1438 . 1 . 1 132 132 GLN HB2 H 1 2.085 0.05 . . . . . . . 132 GLN HB2 . 28101 1 1439 . 1 . 1 132 132 GLN HB3 H 1 1.937 0.03 . . . . . . . 132 GLN HB3 . 28101 1 1440 . 1 . 1 132 132 GLN HG2 H 1 2.355 0.01 . . . . . . . 132 GLN HG . 28101 1 1441 . 1 . 1 132 132 GLN HG3 H 1 2.355 0.01 . . . . . . . 132 GLN HG . 28101 1 1442 . 1 . 1 132 132 GLN C C 13 174.961 0.00 . . . . . . . 132 GLN C . 28101 1 1443 . 1 . 1 132 132 GLN CA C 13 55.780 0.03 . . . . . . . 132 GLN CA . 28101 1 1444 . 1 . 1 132 132 GLN CB C 13 29.849 0.04 . . . . . . . 132 GLN CB . 28101 1 1445 . 1 . 1 132 132 GLN CG C 13 33.833 0.01 . . . . . . . 132 GLN CG . 28101 1 1446 . 1 . 1 132 132 GLN N N 15 121.706 0.09 . . . . . . . 132 GLN N . 28101 1 1447 . 1 . 1 133 133 GLU H H 1 8.090 0.01 . . . . . . . 133 GLU H . 28101 1 1448 . 1 . 1 133 133 GLU CA C 13 58.120 0.03 . . . . . . . 133 GLU CA . 28101 1 1449 . 1 . 1 133 133 GLU CB C 13 31.200 0.00 . . . . . . . 133 GLU CB . 28101 1 1450 . 1 . 1 133 133 GLU N N 15 128.025 0.13 . . . . . . . 133 GLU N . 28101 1 stop_ save_