data_28104 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28104 _Entry.Title ; Backbone and ILV methyl assignments of human Interleukin-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-23 _Entry.Accession_date 2020-03-23 _Entry.Last_release_date 2020-03-23 _Entry.Original_release_date 2020-03-23 _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 Viviane 'De Paula' . S . . 28104 2 Nikolaos Sgourakis . G. . . 28104 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28104 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 318 28104 '15N chemical shifts' 126 28104 '1H chemical shifts' 303 28104 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-07-16 2020-03-23 update BMRB 'update entry citation' 28104 1 . . 2020-12-02 2020-03-23 original author 'original release' 28104 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28104 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33514730 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone-independent NMR resonance assignments of methyl probes in large proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 691 _Citation.Page_last 691 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Santrupti Nerli S. . . . 28104 1 2 Viviane 'De Paula' V. S. . . 28104 1 3 Andrew McShan A. C. . . 28104 1 4 Nikolaos Sgourakis N. G. . . 28104 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28104 _Assembly.ID 1 _Assembly.Name 'Human Interleukin-2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _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 'Human Interleukin-2' 1 $Human_Interleukin-2 A . yes native no no . . . 28104 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 58 58 SG . 1 . 1 CYS 105 105 SG . . . . . . . . . . . . 28104 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1m47 . . . . . . 28104 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Human_Interleukin-2 _Entity.Sf_category entity _Entity.Sf_framecode Human_Interleukin-2 _Entity.Entry_ID 28104 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Human_Interleukin-2 _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 ; APTSSSTKKTQLQLEHLLLD LQMILNGINNYKNPKLTRML TFKFYMPKKATELKHLQCLE EELKPLEEVLNLAQSKNFHL RPRDLISNINVIVLELKGSE TTFMCEYADETATIVEFLNR WITFSQSIISTLT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C125S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 28104 1 2 . PRO . 28104 1 3 . THR . 28104 1 4 . SER . 28104 1 5 . SER . 28104 1 6 . SER . 28104 1 7 . THR . 28104 1 8 . LYS . 28104 1 9 . LYS . 28104 1 10 . THR . 28104 1 11 . GLN . 28104 1 12 . LEU . 28104 1 13 . GLN . 28104 1 14 . LEU . 28104 1 15 . GLU . 28104 1 16 . HIS . 28104 1 17 . LEU . 28104 1 18 . LEU . 28104 1 19 . LEU . 28104 1 20 . ASP . 28104 1 21 . LEU . 28104 1 22 . GLN . 28104 1 23 . MET . 28104 1 24 . ILE . 28104 1 25 . LEU . 28104 1 26 . ASN . 28104 1 27 . GLY . 28104 1 28 . ILE . 28104 1 29 . ASN . 28104 1 30 . ASN . 28104 1 31 . TYR . 28104 1 32 . LYS . 28104 1 33 . ASN . 28104 1 34 . PRO . 28104 1 35 . LYS . 28104 1 36 . LEU . 28104 1 37 . THR . 28104 1 38 . ARG . 28104 1 39 . MET . 28104 1 40 . LEU . 28104 1 41 . THR . 28104 1 42 . PHE . 28104 1 43 . LYS . 28104 1 44 . PHE . 28104 1 45 . TYR . 28104 1 46 . MET . 28104 1 47 . PRO . 28104 1 48 . LYS . 28104 1 49 . LYS . 28104 1 50 . ALA . 28104 1 51 . THR . 28104 1 52 . GLU . 28104 1 53 . LEU . 28104 1 54 . LYS . 28104 1 55 . HIS . 28104 1 56 . LEU . 28104 1 57 . GLN . 28104 1 58 . CYS . 28104 1 59 . LEU . 28104 1 60 . GLU . 28104 1 61 . GLU . 28104 1 62 . GLU . 28104 1 63 . LEU . 28104 1 64 . LYS . 28104 1 65 . PRO . 28104 1 66 . LEU . 28104 1 67 . GLU . 28104 1 68 . GLU . 28104 1 69 . VAL . 28104 1 70 . LEU . 28104 1 71 . ASN . 28104 1 72 . LEU . 28104 1 73 . ALA . 28104 1 74 . GLN . 28104 1 75 . SER . 28104 1 76 . LYS . 28104 1 77 . ASN . 28104 1 78 . PHE . 28104 1 79 . HIS . 28104 1 80 . LEU . 28104 1 81 . ARG . 28104 1 82 . PRO . 28104 1 83 . ARG . 28104 1 84 . ASP . 28104 1 85 . LEU . 28104 1 86 . ILE . 28104 1 87 . SER . 28104 1 88 . ASN . 28104 1 89 . ILE . 28104 1 90 . ASN . 28104 1 91 . VAL . 28104 1 92 . ILE . 28104 1 93 . VAL . 28104 1 94 . LEU . 28104 1 95 . GLU . 28104 1 96 . LEU . 28104 1 97 . LYS . 28104 1 98 . GLY . 28104 1 99 . SER . 28104 1 100 . GLU . 28104 1 101 . THR . 28104 1 102 . THR . 28104 1 103 . PHE . 28104 1 104 . MET . 28104 1 105 . CYS . 28104 1 106 . GLU . 28104 1 107 . TYR . 28104 1 108 . ALA . 28104 1 109 . ASP . 28104 1 110 . GLU . 28104 1 111 . THR . 28104 1 112 . ALA . 28104 1 113 . THR . 28104 1 114 . ILE . 28104 1 115 . VAL . 28104 1 116 . GLU . 28104 1 117 . PHE . 28104 1 118 . LEU . 28104 1 119 . ASN . 28104 1 120 . ARG . 28104 1 121 . TRP . 28104 1 122 . ILE . 28104 1 123 . THR . 28104 1 124 . PHE . 28104 1 125 . SER . 28104 1 126 . GLN . 28104 1 127 . SER . 28104 1 128 . ILE . 28104 1 129 . ILE . 28104 1 130 . SER . 28104 1 131 . THR . 28104 1 132 . LEU . 28104 1 133 . THR . 28104 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 . ALA 1 1 28104 1 . PRO 2 2 28104 1 . THR 3 3 28104 1 . SER 4 4 28104 1 . SER 5 5 28104 1 . SER 6 6 28104 1 . THR 7 7 28104 1 . LYS 8 8 28104 1 . LYS 9 9 28104 1 . THR 10 10 28104 1 . GLN 11 11 28104 1 . LEU 12 12 28104 1 . GLN 13 13 28104 1 . LEU 14 14 28104 1 . GLU 15 15 28104 1 . HIS 16 16 28104 1 . LEU 17 17 28104 1 . LEU 18 18 28104 1 . LEU 19 19 28104 1 . ASP 20 20 28104 1 . LEU 21 21 28104 1 . GLN 22 22 28104 1 . MET 23 23 28104 1 . ILE 24 24 28104 1 . LEU 25 25 28104 1 . ASN 26 26 28104 1 . GLY 27 27 28104 1 . ILE 28 28 28104 1 . ASN 29 29 28104 1 . ASN 30 30 28104 1 . TYR 31 31 28104 1 . LYS 32 32 28104 1 . ASN 33 33 28104 1 . PRO 34 34 28104 1 . LYS 35 35 28104 1 . LEU 36 36 28104 1 . THR 37 37 28104 1 . ARG 38 38 28104 1 . MET 39 39 28104 1 . LEU 40 40 28104 1 . THR 41 41 28104 1 . PHE 42 42 28104 1 . LYS 43 43 28104 1 . PHE 44 44 28104 1 . TYR 45 45 28104 1 . MET 46 46 28104 1 . PRO 47 47 28104 1 . LYS 48 48 28104 1 . LYS 49 49 28104 1 . ALA 50 50 28104 1 . THR 51 51 28104 1 . GLU 52 52 28104 1 . LEU 53 53 28104 1 . LYS 54 54 28104 1 . HIS 55 55 28104 1 . LEU 56 56 28104 1 . GLN 57 57 28104 1 . CYS 58 58 28104 1 . LEU 59 59 28104 1 . GLU 60 60 28104 1 . GLU 61 61 28104 1 . GLU 62 62 28104 1 . LEU 63 63 28104 1 . LYS 64 64 28104 1 . PRO 65 65 28104 1 . LEU 66 66 28104 1 . GLU 67 67 28104 1 . GLU 68 68 28104 1 . VAL 69 69 28104 1 . LEU 70 70 28104 1 . ASN 71 71 28104 1 . LEU 72 72 28104 1 . ALA 73 73 28104 1 . GLN 74 74 28104 1 . SER 75 75 28104 1 . LYS 76 76 28104 1 . ASN 77 77 28104 1 . PHE 78 78 28104 1 . HIS 79 79 28104 1 . LEU 80 80 28104 1 . ARG 81 81 28104 1 . PRO 82 82 28104 1 . ARG 83 83 28104 1 . ASP 84 84 28104 1 . LEU 85 85 28104 1 . ILE 86 86 28104 1 . SER 87 87 28104 1 . ASN 88 88 28104 1 . ILE 89 89 28104 1 . ASN 90 90 28104 1 . VAL 91 91 28104 1 . ILE 92 92 28104 1 . VAL 93 93 28104 1 . LEU 94 94 28104 1 . GLU 95 95 28104 1 . LEU 96 96 28104 1 . LYS 97 97 28104 1 . GLY 98 98 28104 1 . SER 99 99 28104 1 . GLU 100 100 28104 1 . THR 101 101 28104 1 . THR 102 102 28104 1 . PHE 103 103 28104 1 . MET 104 104 28104 1 . CYS 105 105 28104 1 . GLU 106 106 28104 1 . TYR 107 107 28104 1 . ALA 108 108 28104 1 . ASP 109 109 28104 1 . GLU 110 110 28104 1 . THR 111 111 28104 1 . ALA 112 112 28104 1 . THR 113 113 28104 1 . ILE 114 114 28104 1 . VAL 115 115 28104 1 . GLU 116 116 28104 1 . PHE 117 117 28104 1 . LEU 118 118 28104 1 . ASN 119 119 28104 1 . ARG 120 120 28104 1 . TRP 121 121 28104 1 . ILE 122 122 28104 1 . THR 123 123 28104 1 . PHE 124 124 28104 1 . SER 125 125 28104 1 . GLN 126 126 28104 1 . SER 127 127 28104 1 . ILE 128 128 28104 1 . ILE 129 129 28104 1 . SER 130 130 28104 1 . THR 131 131 28104 1 . LEU 132 132 28104 1 . THR 133 133 28104 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 28104 _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 $Human_Interleukin-2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28104 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 28104 _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 $Human_Interleukin-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 28104 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28104 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human Interleukin-2' '[U-13C; U-15N; U-2H; ILVmethyl]' . . 1 $Human_Interleukin-2 . . 0.4 . . mM . . . . 28104 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28104 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28104 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 28104 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human Interleukin-2' '[U-100% 13C; U-100% 15N; ILVmethyl]' . . 1 $Human_Interleukin-2 . . 0.9 . . mM . . . . 28104 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28104 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28104 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 28104 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human Interleukin-2' '[U-13C; U-15N; U-2H; IL(CD2)V(CG2)methyl]' . . 1 $Human_Interleukin-2 . . 0.4 . . mM . . . . 28104 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28104 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28104 3 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 28104 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '20mM sodium phosphate, 50mM sodium chloride, pH 6.0' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 28104 1 pH 6.0 . pH 28104 1 pressure 1 . atm 28104 1 temperature 298 . K 28104 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28104 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28104 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28104 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 28104 _Software.ID 2 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28104 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28104 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28104 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 28104 _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 Bruker Avance . 800 . . . 28104 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 28104 _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 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28104 1 2 '3D HN(COCA)CB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28104 1 3 '2D 1H-15N TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28104 1 4 '1H-13C SOFAST HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28104 1 5 '1H-15N SOFAST HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28104 1 6 '3D Hn-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28104 1 7 '3D Cm-CmHm SOFAST HMQC NOESY HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28104 1 8 '3D N-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28104 1 9 '1H-13C SOFAST HMQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28104 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 28104 _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 internal direct 0.251449530 . . . . . 28104 1 H 1 DSS 'methyl protons' . . . . ppm 0 na indirect 1 . . . . . 28104 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 28104 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 28104 _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 '3D HNCA' . . . 28104 1 2 '3D HN(COCA)CB' . . . 28104 1 3 '2D 1H-15N TROSY' . . . 28104 1 4 '1H-13C SOFAST HMQC' . . . 28104 1 5 '1H-15N SOFAST HMQC' . . . 28104 1 6 '3D Hn-CmHm SOFAST NOESY HMQC' . . . 28104 1 7 '3D Cm-CmHm SOFAST HMQC NOESY HMQC' . . . 28104 1 8 '3D N-CmHm SOFAST NOESY HMQC' . . . 28104 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 ALA CA C 13 50.520 0.000 . 1 . . . . . 1 ALA CA . 28104 1 2 . 1 . 1 1 1 ALA CB C 13 17.320 0.000 . 1 . . . . . 1 ALA CB . 28104 1 3 . 1 . 1 2 2 PRO CA C 13 62.470 0.000 . 1 . . . . . 2 PRO CA . 28104 1 4 . 1 . 1 2 2 PRO CB C 13 31.930 0.000 . 1 . . . . . 2 PRO CB . 28104 1 5 . 1 . 1 3 3 THR H H 1 8.218 0.000 . 1 . . . . . 3 THR H . 28104 1 6 . 1 . 1 3 3 THR CA C 13 61.147 0.000 . 1 . . . . . 3 THR CA . 28104 1 7 . 1 . 1 3 3 THR CB C 13 69.250 0.000 . 1 . . . . . 3 THR CB . 28104 1 8 . 1 . 1 3 3 THR N N 15 115.695 0.000 . 1 . . . . . 3 THR N . 28104 1 9 . 1 . 1 4 4 SER H H 1 8.368 0.000 . 1 . . . . . 4 SER H . 28104 1 10 . 1 . 1 4 4 SER CA C 13 57.813 0.000 . 1 . . . . . 4 SER CA . 28104 1 11 . 1 . 1 4 4 SER CB C 13 63.400 0.000 . 1 . . . . . 4 SER CB . 28104 1 12 . 1 . 1 4 4 SER N N 15 119.498 0.000 . 1 . . . . . 4 SER N . 28104 1 13 . 1 . 1 5 5 SER H H 1 8.418 0.000 . 1 . . . . . 5 SER H . 28104 1 14 . 1 . 1 5 5 SER CA C 13 58.620 0.000 . 1 . . . . . 5 SER CA . 28104 1 15 . 1 . 1 5 5 SER CB C 13 63.140 0.000 . 1 . . . . . 5 SER CB . 28104 1 16 . 1 . 1 5 5 SER N N 15 119.611 0.000 . 1 . . . . . 5 SER N . 28104 1 17 . 1 . 1 6 6 SER H H 1 8.185 0.000 . 1 . . . . . 6 SER H . 28104 1 18 . 1 . 1 6 6 SER CA C 13 58.890 0.000 . 1 . . . . . 6 SER CA . 28104 1 19 . 1 . 1 6 6 SER CB C 13 68.653 0.000 . 1 . . . . . 6 SER CB . 28104 1 20 . 1 . 1 6 6 SER N N 15 119.152 0.000 . 1 . . . . . 6 SER N . 28104 1 21 . 1 . 1 7 7 THR H H 1 8.191 0.000 . 1 . . . . . 7 THR H . 28104 1 22 . 1 . 1 7 7 THR CA C 13 63.810 0.000 . 1 . . . . . 7 THR CA . 28104 1 23 . 1 . 1 7 7 THR CB C 13 68.580 0.000 . 1 . . . . . 7 THR CB . 28104 1 24 . 1 . 1 7 7 THR N N 15 119.145 0.000 . 1 . . . . . 7 THR N . 28104 1 25 . 1 . 1 8 8 LYS H H 1 8.029 0.000 . 1 . . . . . 8 LYS H . 28104 1 26 . 1 . 1 8 8 LYS CA C 13 57.559 0.000 . 1 . . . . . 8 LYS CA . 28104 1 27 . 1 . 1 8 8 LYS CB C 13 31.400 0.000 . 1 . . . . . 8 LYS CB . 28104 1 28 . 1 . 1 8 8 LYS N N 15 123.732 0.000 . 1 . . . . . 8 LYS N . 28104 1 29 . 1 . 1 9 9 LYS H H 1 7.948 0.000 . 1 . . . . . 9 LYS H . 28104 1 30 . 1 . 1 9 9 LYS CA C 13 58.771 0.000 . 1 . . . . . 9 LYS CA . 28104 1 31 . 1 . 1 9 9 LYS CB C 13 31.400 0.000 . 1 . . . . . 9 LYS CB . 28104 1 32 . 1 . 1 9 9 LYS N N 15 121.516 0.000 . 1 . . . . . 9 LYS N . 28104 1 33 . 1 . 1 10 10 THR H H 1 7.858 0.000 . 1 . . . . . 10 THR H . 28104 1 34 . 1 . 1 10 10 THR CA C 13 65.854 0.000 . 1 . . . . . 10 THR CA . 28104 1 35 . 1 . 1 10 10 THR CB C 13 67.920 0.000 . 1 . . . . . 10 THR CB . 28104 1 36 . 1 . 1 10 10 THR N N 15 117.957 0.000 . 1 . . . . . 10 THR N . 28104 1 37 . 1 . 1 11 11 GLN H H 1 8.290 0.000 . 1 . . . . . 11 GLN H . 28104 1 38 . 1 . 1 11 11 GLN CA C 13 59.603 0.000 . 1 . . . . . 11 GLN CA . 28104 1 39 . 1 . 1 11 11 GLN CB C 13 27.395 0.000 . 1 . . . . . 11 GLN CB . 28104 1 40 . 1 . 1 11 11 GLN N N 15 121.833 0.000 . 1 . . . . . 11 GLN N . 28104 1 41 . 1 . 1 12 12 LEU H H 1 7.937 0.000 . 1 . . . . . 12 LEU H . 28104 1 42 . 1 . 1 12 12 LEU HD11 H 1 0.894 0.000 . 1 . . . . . 12 LEU HD11 . 28104 1 43 . 1 . 1 12 12 LEU HD12 H 1 0.894 0.000 . 1 . . . . . 12 LEU HD12 . 28104 1 44 . 1 . 1 12 12 LEU HD13 H 1 0.894 0.000 . 1 . . . . . 12 LEU HD13 . 28104 1 45 . 1 . 1 12 12 LEU HD21 H 1 0.885 0.000 . 1 . . . . . 12 LEU HD21 . 28104 1 46 . 1 . 1 12 12 LEU HD22 H 1 0.885 0.000 . 1 . . . . . 12 LEU HD22 . 28104 1 47 . 1 . 1 12 12 LEU HD23 H 1 0.885 0.000 . 1 . . . . . 12 LEU HD23 . 28104 1 48 . 1 . 1 12 12 LEU CA C 13 57.359 0.000 . 1 . . . . . 12 LEU CA . 28104 1 49 . 1 . 1 12 12 LEU CB C 13 41.220 0.000 . 1 . . . . . 12 LEU CB . 28104 1 50 . 1 . 1 12 12 LEU CD1 C 13 24.905 0.000 . 1 . . . . . 12 LEU CD1 . 28104 1 51 . 1 . 1 12 12 LEU CD2 C 13 23.988 0.000 . 1 . . . . . 12 LEU CD2 . 28104 1 52 . 1 . 1 12 12 LEU N N 15 120.182 0.000 . 1 . . . . . 12 LEU N . 28104 1 53 . 1 . 1 13 13 GLN H H 1 8.054 0.000 . 1 . . . . . 13 GLN H . 28104 1 54 . 1 . 1 13 13 GLN CA C 13 58.336 0.000 . 1 . . . . . 13 GLN CA . 28104 1 55 . 1 . 1 13 13 GLN CB C 13 28.430 0.000 . 1 . . . . . 13 GLN CB . 28104 1 56 . 1 . 1 13 13 GLN N N 15 119.762 0.000 . 1 . . . . . 13 GLN N . 28104 1 57 . 1 . 1 14 14 LEU H H 1 8.277 0.000 . 1 . . . . . 14 LEU H . 28104 1 58 . 1 . 1 14 14 LEU HD11 H 1 0.867 0.000 . 1 . . . . . 14 LEU HD11 . 28104 1 59 . 1 . 1 14 14 LEU HD12 H 1 0.867 0.000 . 1 . . . . . 14 LEU HD12 . 28104 1 60 . 1 . 1 14 14 LEU HD13 H 1 0.867 0.000 . 1 . . . . . 14 LEU HD13 . 28104 1 61 . 1 . 1 14 14 LEU HD21 H 1 0.921 0.000 . 1 . . . . . 14 LEU HD21 . 28104 1 62 . 1 . 1 14 14 LEU HD22 H 1 0.921 0.000 . 1 . . . . . 14 LEU HD22 . 28104 1 63 . 1 . 1 14 14 LEU HD23 H 1 0.921 0.000 . 1 . . . . . 14 LEU HD23 . 28104 1 64 . 1 . 1 14 14 LEU CA C 13 57.353 0.000 . 1 . . . . . 14 LEU CA . 28104 1 65 . 1 . 1 14 14 LEU CB C 13 41.731 0.000 . 1 . . . . . 14 LEU CB . 28104 1 66 . 1 . 1 14 14 LEU CD1 C 13 27.177 0.000 . 1 . . . . . 14 LEU CD1 . 28104 1 67 . 1 . 1 14 14 LEU CD2 C 13 23.736 0.000 . 1 . . . . . 14 LEU CD2 . 28104 1 68 . 1 . 1 14 14 LEU N N 15 121.601 0.000 . 1 . . . . . 14 LEU N . 28104 1 69 . 1 . 1 15 15 GLU H H 1 8.564 0.000 . 1 . . . . . 15 GLU H . 28104 1 70 . 1 . 1 15 15 GLU CA C 13 59.137 0.000 . 1 . . . . . 15 GLU CA . 28104 1 71 . 1 . 1 15 15 GLU CB C 13 28.470 0.000 . 1 . . . . . 15 GLU CB . 28104 1 72 . 1 . 1 15 15 GLU N N 15 120.728 0.000 . 1 . . . . . 15 GLU N . 28104 1 73 . 1 . 1 16 16 HIS H H 1 8.073 0.000 . 1 . . . . . 16 HIS H . 28104 1 74 . 1 . 1 16 16 HIS CA C 13 57.560 0.000 . 1 . . . . . 16 HIS CA . 28104 1 75 . 1 . 1 16 16 HIS CB C 13 28.809 0.000 . 1 . . . . . 16 HIS CB . 28104 1 76 . 1 . 1 16 16 HIS N N 15 120.862 0.000 . 1 . . . . . 16 HIS N . 28104 1 77 . 1 . 1 17 17 LEU H H 1 8.465 0.000 . 1 . . . . . 17 LEU H . 28104 1 78 . 1 . 1 17 17 LEU HD11 H 1 0.876 0.000 . 1 . . . . . 17 LEU HD11 . 28104 1 79 . 1 . 1 17 17 LEU HD12 H 1 0.876 0.000 . 1 . . . . . 17 LEU HD12 . 28104 1 80 . 1 . 1 17 17 LEU HD13 H 1 0.876 0.000 . 1 . . . . . 17 LEU HD13 . 28104 1 81 . 1 . 1 17 17 LEU HD21 H 1 0.883 0.000 . 1 . . . . . 17 LEU HD21 . 28104 1 82 . 1 . 1 17 17 LEU HD22 H 1 0.883 0.000 . 1 . . . . . 17 LEU HD22 . 28104 1 83 . 1 . 1 17 17 LEU HD23 H 1 0.883 0.000 . 1 . . . . . 17 LEU HD23 . 28104 1 84 . 1 . 1 17 17 LEU CA C 13 57.960 0.000 . 1 . . . . . 17 LEU CA . 28104 1 85 . 1 . 1 17 17 LEU CB C 13 41.259 0.000 . 1 . . . . . 17 LEU CB . 28104 1 86 . 1 . 1 17 17 LEU CD1 C 13 24.822 0.000 . 1 . . . . . 17 LEU CD1 . 28104 1 87 . 1 . 1 17 17 LEU CD2 C 13 26.130 0.000 . 1 . . . . . 17 LEU CD2 . 28104 1 88 . 1 . 1 17 17 LEU N N 15 123.922 0.000 . 1 . . . . . 17 LEU N . 28104 1 89 . 1 . 1 18 18 LEU H H 1 8.575 0.000 . 1 . . . . . 18 LEU H . 28104 1 90 . 1 . 1 18 18 LEU HD11 H 1 1.032 0.000 . 1 . . . . . 18 LEU HD11 . 28104 1 91 . 1 . 1 18 18 LEU HD12 H 1 1.032 0.000 . 1 . . . . . 18 LEU HD12 . 28104 1 92 . 1 . 1 18 18 LEU HD13 H 1 1.032 0.000 . 1 . . . . . 18 LEU HD13 . 28104 1 93 . 1 . 1 18 18 LEU HD21 H 1 0.957 0.000 . 1 . . . . . 18 LEU HD21 . 28104 1 94 . 1 . 1 18 18 LEU HD22 H 1 0.957 0.000 . 1 . . . . . 18 LEU HD22 . 28104 1 95 . 1 . 1 18 18 LEU HD23 H 1 0.957 0.000 . 1 . . . . . 18 LEU HD23 . 28104 1 96 . 1 . 1 18 18 LEU CA C 13 58.153 0.000 . 1 . . . . . 18 LEU CA . 28104 1 97 . 1 . 1 18 18 LEU CB C 13 41.967 0.000 . 1 . . . . . 18 LEU CB . 28104 1 98 . 1 . 1 18 18 LEU CD1 C 13 26.009 0.000 . 1 . . . . . 18 LEU CD1 . 28104 1 99 . 1 . 1 18 18 LEU CD2 C 13 26.544 0.000 . 1 . . . . . 18 LEU CD2 . 28104 1 100 . 1 . 1 18 18 LEU N N 15 120.904 0.000 . 1 . . . . . 18 LEU N . 28104 1 101 . 1 . 1 19 19 LEU H H 1 7.877 0.000 . 1 . . . . . 19 LEU H . 28104 1 102 . 1 . 1 19 19 LEU HD11 H 1 0.928 0.000 . 1 . . . . . 19 LEU HD11 . 28104 1 103 . 1 . 1 19 19 LEU HD12 H 1 0.928 0.000 . 1 . . . . . 19 LEU HD12 . 28104 1 104 . 1 . 1 19 19 LEU HD13 H 1 0.928 0.000 . 1 . . . . . 19 LEU HD13 . 28104 1 105 . 1 . 1 19 19 LEU HD21 H 1 0.904 0.000 . 1 . . . . . 19 LEU HD21 . 28104 1 106 . 1 . 1 19 19 LEU HD22 H 1 0.904 0.000 . 1 . . . . . 19 LEU HD22 . 28104 1 107 . 1 . 1 19 19 LEU HD23 H 1 0.904 0.000 . 1 . . . . . 19 LEU HD23 . 28104 1 108 . 1 . 1 19 19 LEU CD1 C 13 24.512 0.000 . 1 . . . . . 19 LEU CD1 . 28104 1 109 . 1 . 1 19 19 LEU CD2 C 13 24.349 0.000 . 1 . . . . . 19 LEU CD2 . 28104 1 110 . 1 . 1 19 19 LEU N N 15 120.264 0.000 . 1 . . . . . 19 LEU N . 28104 1 111 . 1 . 1 20 20 ASP H H 1 8.315 0.000 . 1 . . . . . 20 ASP H . 28104 1 112 . 1 . 1 20 20 ASP CA C 13 58.245 0.000 . 1 . . . . . 20 ASP CA . 28104 1 113 . 1 . 1 20 20 ASP N N 15 120.272 0.000 . 1 . . . . . 20 ASP N . 28104 1 114 . 1 . 1 21 21 LEU H H 1 8.472 0.000 . 1 . . . . . 21 LEU H . 28104 1 115 . 1 . 1 21 21 LEU HD11 H 1 0.781 0.000 . 1 . . . . . 21 LEU HD11 . 28104 1 116 . 1 . 1 21 21 LEU HD12 H 1 0.781 0.000 . 1 . . . . . 21 LEU HD12 . 28104 1 117 . 1 . 1 21 21 LEU HD13 H 1 0.781 0.000 . 1 . . . . . 21 LEU HD13 . 28104 1 118 . 1 . 1 21 21 LEU HD21 H 1 0.703 0.000 . 1 . . . . . 21 LEU HD21 . 28104 1 119 . 1 . 1 21 21 LEU HD22 H 1 0.703 0.000 . 1 . . . . . 21 LEU HD22 . 28104 1 120 . 1 . 1 21 21 LEU HD23 H 1 0.703 0.000 . 1 . . . . . 21 LEU HD23 . 28104 1 121 . 1 . 1 21 21 LEU CA C 13 57.790 0.000 . 1 . . . . . 21 LEU CA . 28104 1 122 . 1 . 1 21 21 LEU CB C 13 41.750 0.000 . 1 . . . . . 21 LEU CB . 28104 1 123 . 1 . 1 21 21 LEU CD1 C 13 26.720 0.000 . 1 . . . . . 21 LEU CD1 . 28104 1 124 . 1 . 1 21 21 LEU CD2 C 13 21.761 0.000 . 1 . . . . . 21 LEU CD2 . 28104 1 125 . 1 . 1 21 21 LEU N N 15 120.004 0.000 . 1 . . . . . 21 LEU N . 28104 1 126 . 1 . 1 22 22 GLN H H 1 8.738 0.000 . 1 . . . . . 22 GLN H . 28104 1 127 . 1 . 1 22 22 GLN CA C 13 58.585 0.000 . 1 . . . . . 22 GLN CA . 28104 1 128 . 1 . 1 22 22 GLN CB C 13 28.470 0.000 . 1 . . . . . 22 GLN CB . 28104 1 129 . 1 . 1 22 22 GLN N N 15 119.506 0.000 . 1 . . . . . 22 GLN N . 28104 1 130 . 1 . 1 23 23 MET H H 1 8.552 0.000 . 1 . . . . . 23 MET H . 28104 1 131 . 1 . 1 23 23 MET CA C 13 58.702 0.000 . 1 . . . . . 23 MET CA . 28104 1 132 . 1 . 1 23 23 MET CB C 13 32.252 0.000 . 1 . . . . . 23 MET CB . 28104 1 133 . 1 . 1 23 23 MET N N 15 121.236 0.000 . 1 . . . . . 23 MET N . 28104 1 134 . 1 . 1 24 24 ILE H H 1 7.828 0.000 . 1 . . . . . 24 ILE H . 28104 1 135 . 1 . 1 24 24 ILE HD11 H 1 0.750 0.000 . 1 . . . . . 24 ILE HD11 . 28104 1 136 . 1 . 1 24 24 ILE HD12 H 1 0.750 0.000 . 1 . . . . . 24 ILE HD12 . 28104 1 137 . 1 . 1 24 24 ILE HD13 H 1 0.750 0.000 . 1 . . . . . 24 ILE HD13 . 28104 1 138 . 1 . 1 24 24 ILE CA C 13 65.152 0.000 . 1 . . . . . 24 ILE CA . 28104 1 139 . 1 . 1 24 24 ILE CB C 13 37.015 0.000 . 1 . . . . . 24 ILE CB . 28104 1 140 . 1 . 1 24 24 ILE CD1 C 13 13.801 0.000 . 1 . . . . . 24 ILE CD1 . 28104 1 141 . 1 . 1 24 24 ILE N N 15 121.298 0.000 . 1 . . . . . 24 ILE N . 28104 1 142 . 1 . 1 25 25 LEU H H 1 8.171 0.000 . 1 . . . . . 25 LEU H . 28104 1 143 . 1 . 1 25 25 LEU HD11 H 1 0.987 0.000 . 1 . . . . . 25 LEU HD11 . 28104 1 144 . 1 . 1 25 25 LEU HD12 H 1 0.987 0.000 . 1 . . . . . 25 LEU HD12 . 28104 1 145 . 1 . 1 25 25 LEU HD13 H 1 0.987 0.000 . 1 . . . . . 25 LEU HD13 . 28104 1 146 . 1 . 1 25 25 LEU HD21 H 1 0.915 0.000 . 1 . . . . . 25 LEU HD21 . 28104 1 147 . 1 . 1 25 25 LEU HD22 H 1 0.915 0.000 . 1 . . . . . 25 LEU HD22 . 28104 1 148 . 1 . 1 25 25 LEU HD23 H 1 0.915 0.000 . 1 . . . . . 25 LEU HD23 . 28104 1 149 . 1 . 1 25 25 LEU CA C 13 57.628 0.000 . 1 . . . . . 25 LEU CA . 28104 1 150 . 1 . 1 25 25 LEU CB C 13 41.220 0.000 . 1 . . . . . 25 LEU CB . 28104 1 151 . 1 . 1 25 25 LEU CD1 C 13 23.905 0.000 . 1 . . . . . 25 LEU CD1 . 28104 1 152 . 1 . 1 25 25 LEU CD2 C 13 26.525 0.000 . 1 . . . . . 25 LEU CD2 . 28104 1 153 . 1 . 1 25 25 LEU N N 15 121.530 0.000 . 1 . . . . . 25 LEU N . 28104 1 154 . 1 . 1 26 26 ASN H H 1 8.795 0.000 . 1 . . . . . 26 ASN H . 28104 1 155 . 1 . 1 26 26 ASN CA C 13 55.043 0.000 . 1 . . . . . 26 ASN CA . 28104 1 156 . 1 . 1 26 26 ASN CB C 13 38.040 0.000 . 1 . . . . . 26 ASN CB . 28104 1 157 . 1 . 1 26 26 ASN N N 15 117.495 0.000 . 1 . . . . . 26 ASN N . 28104 1 158 . 1 . 1 27 27 GLY H H 1 7.717 0.000 . 1 . . . . . 27 GLY H . 28104 1 159 . 1 . 1 27 27 GLY CA C 13 45.815 0.000 . 1 . . . . . 27 GLY CA . 28104 1 160 . 1 . 1 27 27 GLY N N 15 107.582 0.000 . 1 . . . . . 27 GLY N . 28104 1 161 . 1 . 1 28 28 ILE H H 1 7.726 0.000 . 1 . . . . . 28 ILE H . 28104 1 162 . 1 . 1 28 28 ILE HD11 H 1 0.690 0.000 . 1 . . . . . 28 ILE HD11 . 28104 1 163 . 1 . 1 28 28 ILE HD12 H 1 0.690 0.000 . 1 . . . . . 28 ILE HD12 . 28104 1 164 . 1 . 1 28 28 ILE HD13 H 1 0.690 0.000 . 1 . . . . . 28 ILE HD13 . 28104 1 165 . 1 . 1 28 28 ILE CA C 13 61.738 0.000 . 1 . . . . . 28 ILE CA . 28104 1 166 . 1 . 1 28 28 ILE CB C 13 38.170 0.000 . 1 . . . . . 28 ILE CB . 28104 1 167 . 1 . 1 28 28 ILE CD1 C 13 14.282 0.000 . 1 . . . . . 28 ILE CD1 . 28104 1 168 . 1 . 1 28 28 ILE N N 15 117.355 0.000 . 1 . . . . . 28 ILE N . 28104 1 169 . 1 . 1 29 29 ASN H H 1 8.213 0.000 . 1 . . . . . 29 ASN H . 28104 1 170 . 1 . 1 29 29 ASN CA C 13 52.907 0.000 . 1 . . . . . 29 ASN CA . 28104 1 171 . 1 . 1 29 29 ASN CB C 13 38.170 0.000 . 1 . . . . . 29 ASN CB . 28104 1 172 . 1 . 1 29 29 ASN N N 15 119.854 0.000 . 1 . . . . . 29 ASN N . 28104 1 173 . 1 . 1 30 30 ASN H H 1 7.709 0.000 . 1 . . . . . 30 ASN H . 28104 1 174 . 1 . 1 30 30 ASN CA C 13 52.771 0.000 . 1 . . . . . 30 ASN CA . 28104 1 175 . 1 . 1 30 30 ASN CB C 13 39.360 0.000 . 1 . . . . . 30 ASN CB . 28104 1 176 . 1 . 1 30 30 ASN N N 15 118.138 0.000 . 1 . . . . . 30 ASN N . 28104 1 177 . 1 . 1 31 31 TYR H H 1 7.867 0.000 . 1 . . . . . 31 TYR H . 28104 1 178 . 1 . 1 31 31 TYR CA C 13 57.430 0.000 . 1 . . . . . 31 TYR CA . 28104 1 179 . 1 . 1 31 31 TYR CB C 13 38.040 0.000 . 1 . . . . . 31 TYR CB . 28104 1 180 . 1 . 1 31 31 TYR N N 15 122.049 0.000 . 1 . . . . . 31 TYR N . 28104 1 181 . 1 . 1 32 32 LYS H H 1 8.197 0.000 . 1 . . . . . 32 LYS H . 28104 1 182 . 1 . 1 32 32 LYS CA C 13 55.546 0.000 . 1 . . . . . 32 LYS CA . 28104 1 183 . 1 . 1 32 32 LYS CB C 13 31.130 0.000 . 1 . . . . . 32 LYS CB . 28104 1 184 . 1 . 1 32 32 LYS N N 15 122.476 0.000 . 1 . . . . . 32 LYS N . 28104 1 185 . 1 . 1 33 33 ASN H H 1 7.820 0.000 . 1 . . . . . 33 ASN H . 28104 1 186 . 1 . 1 33 33 ASN CA C 13 50.377 0.000 . 1 . . . . . 33 ASN CA . 28104 1 187 . 1 . 1 33 33 ASN CB C 13 39.360 0.000 . 1 . . . . . 33 ASN CB . 28104 1 188 . 1 . 1 33 33 ASN N N 15 121.011 0.000 . 1 . . . . . 33 ASN N . 28104 1 189 . 1 . 1 34 34 PRO CA C 13 63.930 0.000 . 1 . . . . . 34 PRO CA . 28104 1 190 . 1 . 1 34 34 PRO CB C 13 31.930 0.000 . 1 . . . . . 34 PRO CB . 28104 1 191 . 1 . 1 35 35 LYS H H 1 8.025 0.000 . 1 . . . . . 35 LYS H . 28104 1 192 . 1 . 1 35 35 LYS CA C 13 55.451 0.000 . 1 . . . . . 35 LYS CA . 28104 1 193 . 1 . 1 35 35 LYS CB C 13 31.345 0.000 . 1 . . . . . 35 LYS CB . 28104 1 194 . 1 . 1 35 35 LYS N N 15 117.963 0.000 . 1 . . . . . 35 LYS N . 28104 1 195 . 1 . 1 36 36 LEU H H 1 7.627 0.000 . 1 . . . . . 36 LEU H . 28104 1 196 . 1 . 1 36 36 LEU HD11 H 1 1.014 0.000 . 1 . . . . . 36 LEU HD11 . 28104 1 197 . 1 . 1 36 36 LEU HD12 H 1 1.014 0.000 . 1 . . . . . 36 LEU HD12 . 28104 1 198 . 1 . 1 36 36 LEU HD13 H 1 1.014 0.000 . 1 . . . . . 36 LEU HD13 . 28104 1 199 . 1 . 1 36 36 LEU HD21 H 1 1.037 0.000 . 1 . . . . . 36 LEU HD21 . 28104 1 200 . 1 . 1 36 36 LEU HD22 H 1 1.037 0.000 . 1 . . . . . 36 LEU HD22 . 28104 1 201 . 1 . 1 36 36 LEU HD23 H 1 1.037 0.000 . 1 . . . . . 36 LEU HD23 . 28104 1 202 . 1 . 1 36 36 LEU CA C 13 57.722 0.000 . 1 . . . . . 36 LEU CA . 28104 1 203 . 1 . 1 36 36 LEU CB C 13 40.983 0.000 . 1 . . . . . 36 LEU CB . 28104 1 204 . 1 . 1 36 36 LEU CD1 C 13 23.003 0.000 . 1 . . . . . 36 LEU CD1 . 28104 1 205 . 1 . 1 36 36 LEU CD2 C 13 25.319 0.000 . 1 . . . . . 36 LEU CD2 . 28104 1 206 . 1 . 1 36 36 LEU N N 15 123.514 0.000 . 1 . . . . . 36 LEU N . 28104 1 207 . 1 . 1 37 37 THR H H 1 8.153 0.000 . 1 . . . . . 37 THR H . 28104 1 208 . 1 . 1 37 37 THR CA C 13 65.747 0.000 . 1 . . . . . 37 THR CA . 28104 1 209 . 1 . 1 37 37 THR CB C 13 68.050 0.000 . 1 . . . . . 37 THR CB . 28104 1 210 . 1 . 1 37 37 THR N N 15 113.465 0.000 . 1 . . . . . 37 THR N . 28104 1 211 . 1 . 1 38 38 ARG H H 1 7.668 0.000 . 1 . . . . . 38 ARG H . 28104 1 212 . 1 . 1 38 38 ARG CA C 13 57.696 0.000 . 1 . . . . . 38 ARG CA . 28104 1 213 . 1 . 1 38 38 ARG CB C 13 29.270 0.000 . 1 . . . . . 38 ARG CB . 28104 1 214 . 1 . 1 38 38 ARG N N 15 122.007 0.000 . 1 . . . . . 38 ARG N . 28104 1 215 . 1 . 1 39 39 MET H H 1 8.434 0.000 . 1 . . . . . 39 MET H . 28104 1 216 . 1 . 1 39 39 MET CA C 13 59.040 0.000 . 1 . . . . . 39 MET CA . 28104 1 217 . 1 . 1 39 39 MET CB C 13 33.120 0.000 . 1 . . . . . 39 MET CB . 28104 1 218 . 1 . 1 39 39 MET N N 15 121.187 0.000 . 1 . . . . . 39 MET N . 28104 1 219 . 1 . 1 40 40 LEU H H 1 8.055 0.000 . 1 . . . . . 40 LEU H . 28104 1 220 . 1 . 1 40 40 LEU HD11 H 1 0.977 0.000 . 1 . . . . . 40 LEU HD11 . 28104 1 221 . 1 . 1 40 40 LEU HD12 H 1 0.977 0.000 . 1 . . . . . 40 LEU HD12 . 28104 1 222 . 1 . 1 40 40 LEU HD13 H 1 0.977 0.000 . 1 . . . . . 40 LEU HD13 . 28104 1 223 . 1 . 1 40 40 LEU HD21 H 1 0.992 0.000 . 1 . . . . . 40 LEU HD21 . 28104 1 224 . 1 . 1 40 40 LEU HD22 H 1 0.992 0.000 . 1 . . . . . 40 LEU HD22 . 28104 1 225 . 1 . 1 40 40 LEU HD23 H 1 0.992 0.000 . 1 . . . . . 40 LEU HD23 . 28104 1 226 . 1 . 1 40 40 LEU CA C 13 56.110 0.000 . 1 . . . . . 40 LEU CA . 28104 1 227 . 1 . 1 40 40 LEU CB C 13 40.960 0.000 . 1 . . . . . 40 LEU CB . 28104 1 228 . 1 . 1 40 40 LEU CD1 C 13 25.542 0.000 . 1 . . . . . 40 LEU CD1 . 28104 1 229 . 1 . 1 40 40 LEU CD2 C 13 22.109 0.000 . 1 . . . . . 40 LEU CD2 . 28104 1 230 . 1 . 1 40 40 LEU N N 15 118.641 0.000 . 1 . . . . . 40 LEU N . 28104 1 231 . 1 . 1 41 41 THR H H 1 7.603 0.000 . 1 . . . . . 41 THR H . 28104 1 232 . 1 . 1 41 41 THR CA C 13 62.610 0.000 . 1 . . . . . 41 THR CA . 28104 1 233 . 1 . 1 41 41 THR CB C 13 69.640 0.000 . 1 . . . . . 41 THR CB . 28104 1 234 . 1 . 1 41 41 THR N N 15 110.133 0.000 . 1 . . . . . 41 THR N . 28104 1 235 . 1 . 1 42 42 PHE H H 1 6.993 0.000 . 1 . . . . . 42 PHE H . 28104 1 236 . 1 . 1 42 42 PHE CA C 13 58.490 0.000 . 1 . . . . . 42 PHE CA . 28104 1 237 . 1 . 1 42 42 PHE CB C 13 39.360 0.000 . 1 . . . . . 42 PHE CB . 28104 1 238 . 1 . 1 42 42 PHE N N 15 122.823 0.000 . 1 . . . . . 42 PHE N . 28104 1 239 . 1 . 1 43 43 LYS H H 1 8.287 0.000 . 1 . . . . . 43 LYS H . 28104 1 240 . 1 . 1 43 43 LYS CA C 13 54.814 0.000 . 1 . . . . . 43 LYS CA . 28104 1 241 . 1 . 1 43 43 LYS CB C 13 32.990 0.000 . 1 . . . . . 43 LYS CB . 28104 1 242 . 1 . 1 43 43 LYS N N 15 125.272 0.000 . 1 . . . . . 43 LYS N . 28104 1 243 . 1 . 1 44 44 PHE H H 1 9.170 0.000 . 1 . . . . . 44 PHE H . 28104 1 244 . 1 . 1 44 44 PHE CA C 13 57.160 0.000 . 1 . . . . . 44 PHE CA . 28104 1 245 . 1 . 1 44 44 PHE CB C 13 40.960 0.000 . 1 . . . . . 44 PHE CB . 28104 1 246 . 1 . 1 44 44 PHE N N 15 122.574 0.000 . 1 . . . . . 44 PHE N . 28104 1 247 . 1 . 1 45 45 TYR H H 1 7.564 0.000 . 1 . . . . . 45 TYR H . 28104 1 248 . 1 . 1 45 45 TYR CA C 13 57.284 0.000 . 1 . . . . . 45 TYR CA . 28104 1 249 . 1 . 1 45 45 TYR CB C 13 39.230 0.000 . 1 . . . . . 45 TYR CB . 28104 1 250 . 1 . 1 45 45 TYR N N 15 120.977 0.000 . 1 . . . . . 45 TYR N . 28104 1 251 . 1 . 1 46 46 MET H H 1 9.724 0.000 . 1 . . . . . 46 MET H . 28104 1 252 . 1 . 1 46 46 MET CA C 13 50.903 0.000 . 1 . . . . . 46 MET CA . 28104 1 253 . 1 . 1 46 46 MET CB C 13 33.390 0.000 . 1 . . . . . 46 MET CB . 28104 1 254 . 1 . 1 46 46 MET N N 15 122.641 0.000 . 1 . . . . . 46 MET N . 28104 1 255 . 1 . 1 47 47 PRO CA C 13 61.310 0.000 . 1 . . . . . 47 PRO CA . 28104 1 256 . 1 . 1 47 47 PRO CB C 13 31.530 0.000 . 1 . . . . . 47 PRO CB . 28104 1 257 . 1 . 1 48 48 LYS H H 1 8.763 0.000 . 1 . . . . . 48 LYS H . 28104 1 258 . 1 . 1 48 48 LYS CA C 13 58.890 0.000 . 1 . . . . . 48 LYS CA . 28104 1 259 . 1 . 1 48 48 LYS CB C 13 32.190 0.000 . 1 . . . . . 48 LYS CB . 28104 1 260 . 1 . 1 48 48 LYS N N 15 125.494 0.000 . 1 . . . . . 48 LYS N . 28104 1 261 . 1 . 1 49 49 LYS H H 1 7.698 0.000 . 1 . . . . . 49 LYS H . 28104 1 262 . 1 . 1 49 49 LYS CA C 13 54.492 0.000 . 1 . . . . . 49 LYS CA . 28104 1 263 . 1 . 1 49 49 LYS CB C 13 34.320 0.000 . 1 . . . . . 49 LYS CB . 28104 1 264 . 1 . 1 49 49 LYS N N 15 116.964 0.000 . 1 . . . . . 49 LYS N . 28104 1 265 . 1 . 1 50 50 ALA H H 1 8.336 0.000 . 1 . . . . . 50 ALA H . 28104 1 266 . 1 . 1 50 50 ALA CA C 13 50.720 0.000 . 1 . . . . . 50 ALA CA . 28104 1 267 . 1 . 1 50 50 ALA CB C 13 17.320 0.000 . 1 . . . . . 50 ALA CB . 28104 1 268 . 1 . 1 50 50 ALA N N 15 127.473 0.000 . 1 . . . . . 50 ALA N . 28104 1 269 . 1 . 1 51 51 THR H H 1 10.081 0.000 . 1 . . . . . 51 THR H . 28104 1 270 . 1 . 1 51 51 THR CA C 13 61.424 0.000 . 1 . . . . . 51 THR CA . 28104 1 271 . 1 . 1 51 51 THR CB C 13 70.970 0.000 . 1 . . . . . 51 THR CB . 28104 1 272 . 1 . 1 51 51 THR N N 15 117.355 0.000 . 1 . . . . . 51 THR N . 28104 1 273 . 1 . 1 52 52 GLU H H 1 9.081 0.000 . 1 . . . . . 52 GLU H . 28104 1 274 . 1 . 1 52 52 GLU CA C 13 54.110 0.000 . 1 . . . . . 52 GLU CA . 28104 1 275 . 1 . 1 52 52 GLU CB C 13 33.390 0.000 . 1 . . . . . 52 GLU CB . 28104 1 276 . 1 . 1 52 52 GLU N N 15 124.975 0.000 . 1 . . . . . 52 GLU N . 28104 1 277 . 1 . 1 53 53 LEU H H 1 8.855 0.000 . 1 . . . . . 53 LEU H . 28104 1 278 . 1 . 1 53 53 LEU HD11 H 1 1.042 0.000 . 1 . . . . . 53 LEU HD11 . 28104 1 279 . 1 . 1 53 53 LEU HD12 H 1 1.042 0.000 . 1 . . . . . 53 LEU HD12 . 28104 1 280 . 1 . 1 53 53 LEU HD13 H 1 1.042 0.000 . 1 . . . . . 53 LEU HD13 . 28104 1 281 . 1 . 1 53 53 LEU HD21 H 1 0.990 0.000 . 1 . . . . . 53 LEU HD21 . 28104 1 282 . 1 . 1 53 53 LEU HD22 H 1 0.990 0.000 . 1 . . . . . 53 LEU HD22 . 28104 1 283 . 1 . 1 53 53 LEU HD23 H 1 0.990 0.000 . 1 . . . . . 53 LEU HD23 . 28104 1 284 . 1 . 1 53 53 LEU CA C 13 58.495 0.000 . 1 . . . . . 53 LEU CA . 28104 1 285 . 1 . 1 53 53 LEU CB C 13 39.666 0.000 . 1 . . . . . 53 LEU CB . 28104 1 286 . 1 . 1 53 53 LEU CD1 C 13 25.759 0.000 . 1 . . . . . 53 LEU CD1 . 28104 1 287 . 1 . 1 53 53 LEU CD2 C 13 24.216 0.000 . 1 . . . . . 53 LEU CD2 . 28104 1 288 . 1 . 1 53 53 LEU N N 15 122.941 0.000 . 1 . . . . . 53 LEU N . 28104 1 289 . 1 . 1 54 54 LYS H H 1 8.408 0.000 . 1 . . . . . 54 LYS H . 28104 1 290 . 1 . 1 54 54 LYS CA C 13 57.690 0.000 . 1 . . . . . 54 LYS CA . 28104 1 291 . 1 . 1 54 54 LYS CB C 13 30.470 0.000 . 1 . . . . . 54 LYS CB . 28104 1 292 . 1 . 1 54 54 LYS N N 15 116.450 0.000 . 1 . . . . . 54 LYS N . 28104 1 293 . 1 . 1 55 55 HIS H H 1 7.865 0.000 . 1 . . . . . 55 HIS H . 28104 1 294 . 1 . 1 55 55 HIS CA C 13 57.793 0.000 . 1 . . . . . 55 HIS CA . 28104 1 295 . 1 . 1 55 55 HIS CB C 13 30.330 0.000 . 1 . . . . . 55 HIS CB . 28104 1 296 . 1 . 1 55 55 HIS N N 15 120.603 0.000 . 1 . . . . . 55 HIS N . 28104 1 297 . 1 . 1 56 56 LEU H H 1 8.436 0.000 . 1 . . . . . 56 LEU H . 28104 1 298 . 1 . 1 56 56 LEU HD11 H 1 1.053 0.000 . 1 . . . . . 56 LEU HD11 . 28104 1 299 . 1 . 1 56 56 LEU HD12 H 1 1.053 0.000 . 1 . . . . . 56 LEU HD12 . 28104 1 300 . 1 . 1 56 56 LEU HD13 H 1 1.053 0.000 . 1 . . . . . 56 LEU HD13 . 28104 1 301 . 1 . 1 56 56 LEU HD21 H 1 0.740 0.000 . 1 . . . . . 56 LEU HD21 . 28104 1 302 . 1 . 1 56 56 LEU HD22 H 1 0.740 0.000 . 1 . . . . . 56 LEU HD22 . 28104 1 303 . 1 . 1 56 56 LEU HD23 H 1 0.740 0.000 . 1 . . . . . 56 LEU HD23 . 28104 1 304 . 1 . 1 56 56 LEU CA C 13 56.711 0.000 . 1 . . . . . 56 LEU CA . 28104 1 305 . 1 . 1 56 56 LEU CB C 13 41.220 0.000 . 1 . . . . . 56 LEU CB . 28104 1 306 . 1 . 1 56 56 LEU CD1 C 13 27.907 0.000 . 1 . . . . . 56 LEU CD1 . 28104 1 307 . 1 . 1 56 56 LEU CD2 C 13 24.855 0.000 . 1 . . . . . 56 LEU CD2 . 28104 1 308 . 1 . 1 56 56 LEU N N 15 121.243 0.000 . 1 . . . . . 56 LEU N . 28104 1 309 . 1 . 1 57 57 GLN H H 1 7.871 0.000 . 1 . . . . . 57 GLN H . 28104 1 310 . 1 . 1 57 57 GLN CA C 13 58.358 0.000 . 1 . . . . . 57 GLN CA . 28104 1 311 . 1 . 1 57 57 GLN CB C 13 28.870 0.000 . 1 . . . . . 57 GLN CB . 28104 1 312 . 1 . 1 57 57 GLN N N 15 122.941 0.000 . 1 . . . . . 57 GLN N . 28104 1 313 . 1 . 1 58 58 CYS H H 1 8.023 0.000 . 1 . . . . . 58 CYS H . 28104 1 314 . 1 . 1 58 58 CYS CA C 13 55.605 0.000 . 1 . . . . . 58 CYS CA . 28104 1 315 . 1 . 1 58 58 CYS N N 15 114.608 0.000 . 1 . . . . . 58 CYS N . 28104 1 316 . 1 . 1 59 59 LEU H H 1 6.759 0.000 . 1 . . . . . 59 LEU H . 28104 1 317 . 1 . 1 59 59 LEU HD11 H 1 0.099 0.000 . 1 . . . . . 59 LEU HD11 . 28104 1 318 . 1 . 1 59 59 LEU HD12 H 1 0.099 0.000 . 1 . . . . . 59 LEU HD12 . 28104 1 319 . 1 . 1 59 59 LEU HD13 H 1 0.099 0.000 . 1 . . . . . 59 LEU HD13 . 28104 1 320 . 1 . 1 59 59 LEU HD21 H 1 0.256 0.000 . 1 . . . . . 59 LEU HD21 . 28104 1 321 . 1 . 1 59 59 LEU HD22 H 1 0.256 0.000 . 1 . . . . . 59 LEU HD22 . 28104 1 322 . 1 . 1 59 59 LEU HD23 H 1 0.256 0.000 . 1 . . . . . 59 LEU HD23 . 28104 1 323 . 1 . 1 59 59 LEU CA C 13 56.507 0.000 . 1 . . . . . 59 LEU CA . 28104 1 324 . 1 . 1 59 59 LEU CB C 13 38.773 0.000 . 1 . . . . . 59 LEU CB . 28104 1 325 . 1 . 1 59 59 LEU CD1 C 13 22.483 0.000 . 1 . . . . . 59 LEU CD1 . 28104 1 326 . 1 . 1 59 59 LEU CD2 C 13 25.387 0.000 . 1 . . . . . 59 LEU CD2 . 28104 1 327 . 1 . 1 59 59 LEU N N 15 124.258 0.000 . 1 . . . . . 59 LEU N . 28104 1 328 . 1 . 1 60 60 GLU H H 1 7.649 0.000 . 1 . . . . . 60 GLU H . 28104 1 329 . 1 . 1 60 60 GLU CA C 13 58.620 0.000 . 1 . . . . . 60 GLU CA . 28104 1 330 . 1 . 1 60 60 GLU CB C 13 29.270 0.000 . 1 . . . . . 60 GLU CB . 28104 1 331 . 1 . 1 60 60 GLU N N 15 119.909 0.000 . 1 . . . . . 60 GLU N . 28104 1 332 . 1 . 1 61 61 GLU H H 1 7.784 0.000 . 1 . . . . . 61 GLU H . 28104 1 333 . 1 . 1 61 61 GLU CA C 13 58.399 0.000 . 1 . . . . . 61 GLU CA . 28104 1 334 . 1 . 1 61 61 GLU CB C 13 29.270 0.000 . 1 . . . . . 61 GLU CB . 28104 1 335 . 1 . 1 61 61 GLU N N 15 115.941 0.000 . 1 . . . . . 61 GLU N . 28104 1 336 . 1 . 1 62 62 GLU H H 1 7.419 0.000 . 1 . . . . . 62 GLU H . 28104 1 337 . 1 . 1 62 62 GLU CA C 13 54.446 0.000 . 1 . . . . . 62 GLU CA . 28104 1 338 . 1 . 1 62 62 GLU CB C 13 31.581 0.000 . 1 . . . . . 62 GLU CB . 28104 1 339 . 1 . 1 62 62 GLU N N 15 117.373 0.000 . 1 . . . . . 62 GLU N . 28104 1 340 . 1 . 1 63 63 LEU H H 1 7.537 0.000 . 1 . . . . . 63 LEU H . 28104 1 341 . 1 . 1 63 63 LEU HD11 H 1 0.871 0.000 . 1 . . . . . 63 LEU HD11 . 28104 1 342 . 1 . 1 63 63 LEU HD12 H 1 0.871 0.000 . 1 . . . . . 63 LEU HD12 . 28104 1 343 . 1 . 1 63 63 LEU HD13 H 1 0.871 0.000 . 1 . . . . . 63 LEU HD13 . 28104 1 344 . 1 . 1 63 63 LEU HD21 H 1 0.704 0.000 . 1 . . . . . 63 LEU HD21 . 28104 1 345 . 1 . 1 63 63 LEU HD22 H 1 0.704 0.000 . 1 . . . . . 63 LEU HD22 . 28104 1 346 . 1 . 1 63 63 LEU HD23 H 1 0.704 0.000 . 1 . . . . . 63 LEU HD23 . 28104 1 347 . 1 . 1 63 63 LEU CA C 13 57.513 0.000 . 1 . . . . . 63 LEU CA . 28104 1 348 . 1 . 1 63 63 LEU CB C 13 39.808 0.000 . 1 . . . . . 63 LEU CB . 28104 1 349 . 1 . 1 63 63 LEU CD1 C 13 25.488 0.000 . 1 . . . . . 63 LEU CD1 . 28104 1 350 . 1 . 1 63 63 LEU CD2 C 13 22.134 0.000 . 1 . . . . . 63 LEU CD2 . 28104 1 351 . 1 . 1 63 63 LEU N N 15 120.943 0.000 . 1 . . . . . 63 LEU N . 28104 1 352 . 1 . 1 64 64 LYS H H 1 8.494 0.000 . 1 . . . . . 64 LYS H . 28104 1 353 . 1 . 1 64 64 LYS CA C 13 58.177 0.000 . 1 . . . . . 64 LYS CA . 28104 1 354 . 1 . 1 64 64 LYS N N 15 120.360 0.000 . 1 . . . . . 64 LYS N . 28104 1 355 . 1 . 1 65 65 PRO CA C 13 64.901 0.000 . 1 . . . . . 65 PRO CA . 28104 1 356 . 1 . 1 65 65 PRO CB C 13 29.670 0.000 . 1 . . . . . 65 PRO CB . 28104 1 357 . 1 . 1 66 66 LEU H H 1 7.581 0.000 . 1 . . . . . 66 LEU H . 28104 1 358 . 1 . 1 66 66 LEU HD21 H 1 0.854 0.018 . 1 . . . . . 66 LEU HD21 . 28104 1 359 . 1 . 1 66 66 LEU HD22 H 1 0.854 0.018 . 1 . . . . . 66 LEU HD22 . 28104 1 360 . 1 . 1 66 66 LEU HD23 H 1 0.854 0.018 . 1 . . . . . 66 LEU HD23 . 28104 1 361 . 1 . 1 66 66 LEU CA C 13 57.925 0.000 . 1 . . . . . 66 LEU CA . 28104 1 362 . 1 . 1 66 66 LEU CB C 13 41.171 0.000 . 1 . . . . . 66 LEU CB . 28104 1 363 . 1 . 1 66 66 LEU CD1 C 13 23.982 0.000 . 1 . . . . . 66 LEU CD1 . 28104 1 364 . 1 . 1 66 66 LEU CD2 C 13 25.595 0.000 . 1 . . . . . 66 LEU CD2 . 28104 1 365 . 1 . 1 66 66 LEU N N 15 119.399 0.000 . 1 . . . . . 66 LEU N . 28104 1 366 . 1 . 1 67 67 GLU H H 1 8.310 0.000 . 1 . . . . . 67 GLU H . 28104 1 367 . 1 . 1 67 67 GLU CA C 13 59.653 0.000 . 1 . . . . . 67 GLU CA . 28104 1 368 . 1 . 1 67 67 GLU CB C 13 29.270 0.000 . 1 . . . . . 67 GLU CB . 28104 1 369 . 1 . 1 67 67 GLU N N 15 121.633 0.000 . 1 . . . . . 67 GLU N . 28104 1 370 . 1 . 1 68 68 GLU H H 1 7.737 0.000 . 1 . . . . . 68 GLU H . 28104 1 371 . 1 . 1 68 68 GLU CA C 13 58.620 0.000 . 1 . . . . . 68 GLU CA . 28104 1 372 . 1 . 1 68 68 GLU CB C 13 28.470 0.000 . 1 . . . . . 68 GLU CB . 28104 1 373 . 1 . 1 68 68 GLU N N 15 118.098 0.000 . 1 . . . . . 68 GLU N . 28104 1 374 . 1 . 1 69 69 VAL H H 1 7.800 0.000 . 1 . . . . . 69 VAL H . 28104 1 375 . 1 . 1 69 69 VAL HG11 H 1 0.952 0.000 . 1 . . . . . 69 VAL HG11 . 28104 1 376 . 1 . 1 69 69 VAL HG12 H 1 0.952 0.000 . 1 . . . . . 69 VAL HG12 . 28104 1 377 . 1 . 1 69 69 VAL HG13 H 1 0.952 0.000 . 1 . . . . . 69 VAL HG13 . 28104 1 378 . 1 . 1 69 69 VAL HG21 H 1 0.627 0.000 . 1 . . . . . 69 VAL HG21 . 28104 1 379 . 1 . 1 69 69 VAL HG22 H 1 0.627 0.000 . 1 . . . . . 69 VAL HG22 . 28104 1 380 . 1 . 1 69 69 VAL HG23 H 1 0.627 0.000 . 1 . . . . . 69 VAL HG23 . 28104 1 381 . 1 . 1 69 69 VAL CA C 13 65.544 0.000 . 1 . . . . . 69 VAL CA . 28104 1 382 . 1 . 1 69 69 VAL CB C 13 30.922 0.000 . 1 . . . . . 69 VAL CB . 28104 1 383 . 1 . 1 69 69 VAL CG1 C 13 22.973 0.000 . 1 . . . . . 69 VAL CG1 . 28104 1 384 . 1 . 1 69 69 VAL CG2 C 13 23.543 0.000 . 1 . . . . . 69 VAL CG2 . 28104 1 385 . 1 . 1 69 69 VAL N N 15 120.459 0.000 . 1 . . . . . 69 VAL N . 28104 1 386 . 1 . 1 70 70 LEU H H 1 8.166 0.000 . 1 . . . . . 70 LEU H . 28104 1 387 . 1 . 1 70 70 LEU HD11 H 1 0.734 0.000 . 1 . . . . . 70 LEU HD11 . 28104 1 388 . 1 . 1 70 70 LEU HD12 H 1 0.734 0.000 . 1 . . . . . 70 LEU HD12 . 28104 1 389 . 1 . 1 70 70 LEU HD13 H 1 0.734 0.000 . 1 . . . . . 70 LEU HD13 . 28104 1 390 . 1 . 1 70 70 LEU HD21 H 1 0.723 0.000 . 1 . . . . . 70 LEU HD21 . 28104 1 391 . 1 . 1 70 70 LEU HD22 H 1 0.723 0.000 . 1 . . . . . 70 LEU HD22 . 28104 1 392 . 1 . 1 70 70 LEU HD23 H 1 0.723 0.000 . 1 . . . . . 70 LEU HD23 . 28104 1 393 . 1 . 1 70 70 LEU CA C 13 56.814 0.000 . 1 . . . . . 70 LEU CA . 28104 1 394 . 1 . 1 70 70 LEU CB C 13 40.419 0.000 . 1 . . . . . 70 LEU CB . 28104 1 395 . 1 . 1 70 70 LEU CD1 C 13 25.849 0.000 . 1 . . . . . 70 LEU CD1 . 28104 1 396 . 1 . 1 70 70 LEU CD2 C 13 23.182 0.000 . 1 . . . . . 70 LEU CD2 . 28104 1 397 . 1 . 1 70 70 LEU N N 15 120.052 0.000 . 1 . . . . . 70 LEU N . 28104 1 398 . 1 . 1 71 71 ASN H H 1 7.967 0.000 . 1 . . . . . 71 ASN H . 28104 1 399 . 1 . 1 71 71 ASN CA C 13 54.633 0.000 . 1 . . . . . 71 ASN CA . 28104 1 400 . 1 . 1 71 71 ASN CB C 13 37.900 0.000 . 1 . . . . . 71 ASN CB . 28104 1 401 . 1 . 1 71 71 ASN N N 15 118.460 0.000 . 1 . . . . . 71 ASN N . 28104 1 402 . 1 . 1 72 72 LEU H H 1 7.628 0.000 . 1 . . . . . 72 LEU H . 28104 1 403 . 1 . 1 72 72 LEU HD11 H 1 0.974 0.000 . 1 . . . . . 72 LEU HD11 . 28104 1 404 . 1 . 1 72 72 LEU HD12 H 1 0.974 0.000 . 1 . . . . . 72 LEU HD12 . 28104 1 405 . 1 . 1 72 72 LEU HD13 H 1 0.974 0.000 . 1 . . . . . 72 LEU HD13 . 28104 1 406 . 1 . 1 72 72 LEU HD21 H 1 0.940 0.000 . 1 . . . . . 72 LEU HD21 . 28104 1 407 . 1 . 1 72 72 LEU HD22 H 1 0.940 0.000 . 1 . . . . . 72 LEU HD22 . 28104 1 408 . 1 . 1 72 72 LEU HD23 H 1 0.940 0.000 . 1 . . . . . 72 LEU HD23 . 28104 1 409 . 1 . 1 72 72 LEU CA C 13 55.592 0.000 . 1 . . . . . 72 LEU CA . 28104 1 410 . 1 . 1 72 72 LEU CB C 13 41.750 0.000 . 1 . . . . . 72 LEU CB . 28104 1 411 . 1 . 1 72 72 LEU CD1 C 13 26.142 0.000 . 1 . . . . . 72 LEU CD1 . 28104 1 412 . 1 . 1 72 72 LEU CD2 C 13 23.376 0.000 . 1 . . . . . 72 LEU CD2 . 28104 1 413 . 1 . 1 72 72 LEU N N 15 120.474 0.000 . 1 . . . . . 72 LEU N . 28104 1 414 . 1 . 1 73 73 ALA H H 1 7.456 0.000 . 1 . . . . . 73 ALA H . 28104 1 415 . 1 . 1 73 73 ALA CA C 13 51.226 0.000 . 1 . . . . . 73 ALA CA . 28104 1 416 . 1 . 1 73 73 ALA CB C 13 18.650 0.000 . 1 . . . . . 73 ALA CB . 28104 1 417 . 1 . 1 73 73 ALA N N 15 121.534 0.000 . 1 . . . . . 73 ALA N . 28104 1 418 . 1 . 1 74 74 GLN H H 1 7.783 0.000 . 1 . . . . . 74 GLN H . 28104 1 419 . 1 . 1 74 74 GLN CA C 13 55.882 0.000 . 1 . . . . . 74 GLN CA . 28104 1 420 . 1 . 1 74 74 GLN CB C 13 28.610 0.000 . 1 . . . . . 74 GLN CB . 28104 1 421 . 1 . 1 74 74 GLN N N 15 119.458 0.000 . 1 . . . . . 74 GLN N . 28104 1 422 . 1 . 1 75 75 SER H H 1 8.510 0.000 . 1 . . . . . 75 SER H . 28104 1 423 . 1 . 1 75 75 SER N N 15 119.940 0.000 . 1 . . . . . 75 SER N . 28104 1 424 . 1 . 1 76 76 LYS CA C 13 57.218 0.000 . 1 . . . . . 76 LYS CA . 28104 1 425 . 1 . 1 76 76 LYS CB C 13 31.400 0.000 . 1 . . . . . 76 LYS CB . 28104 1 426 . 1 . 1 77 77 ASN H H 1 7.889 0.000 . 1 . . . . . 77 ASN H . 28104 1 427 . 1 . 1 77 77 ASN CA C 13 53.015 0.000 . 1 . . . . . 77 ASN CA . 28104 1 428 . 1 . 1 77 77 ASN CB C 13 38.170 0.000 . 1 . . . . . 77 ASN CB . 28104 1 429 . 1 . 1 77 77 ASN N N 15 117.110 0.000 . 1 . . . . . 77 ASN N . 28104 1 430 . 1 . 1 78 78 PHE H H 1 7.557 0.000 . 1 . . . . . 78 PHE H . 28104 1 431 . 1 . 1 78 78 PHE CA C 13 56.255 0.000 . 1 . . . . . 78 PHE CA . 28104 1 432 . 1 . 1 78 78 PHE CB C 13 40.160 0.000 . 1 . . . . . 78 PHE CB . 28104 1 433 . 1 . 1 78 78 PHE N N 15 120.456 0.000 . 1 . . . . . 78 PHE N . 28104 1 434 . 1 . 1 79 79 HIS H H 1 8.330 0.000 . 1 . . . . . 79 HIS H . 28104 1 435 . 1 . 1 79 79 HIS CA C 13 56.507 0.000 . 1 . . . . . 79 HIS CA . 28104 1 436 . 1 . 1 79 79 HIS CB C 13 29.511 0.000 . 1 . . . . . 79 HIS CB . 28104 1 437 . 1 . 1 79 79 HIS N N 15 120.327 0.000 . 1 . . . . . 79 HIS N . 28104 1 438 . 1 . 1 80 80 LEU H H 1 7.017 0.000 . 1 . . . . . 80 LEU H . 28104 1 439 . 1 . 1 80 80 LEU HD11 H 1 0.816 0.000 . 1 . . . . . 80 LEU HD11 . 28104 1 440 . 1 . 1 80 80 LEU HD12 H 1 0.816 0.000 . 1 . . . . . 80 LEU HD12 . 28104 1 441 . 1 . 1 80 80 LEU HD13 H 1 0.816 0.000 . 1 . . . . . 80 LEU HD13 . 28104 1 442 . 1 . 1 80 80 LEU CA C 13 53.030 0.000 . 1 . . . . . 80 LEU CA . 28104 1 443 . 1 . 1 80 80 LEU CB C 13 43.350 0.000 . 1 . . . . . 80 LEU CB . 28104 1 444 . 1 . 1 80 80 LEU CD1 C 13 25.540 0.000 . 1 . . . . . 80 LEU CD1 . 28104 1 445 . 1 . 1 80 80 LEU CD2 C 13 23.890 0.000 . 1 . . . . . 80 LEU CD2 . 28104 1 446 . 1 . 1 80 80 LEU N N 15 120.258 0.000 . 1 . . . . . 80 LEU N . 28104 1 447 . 1 . 1 81 81 ARG H H 1 8.513 0.000 . 1 . . . . . 81 ARG H . 28104 1 448 . 1 . 1 81 81 ARG CA C 13 53.556 0.000 . 1 . . . . . 81 ARG CA . 28104 1 449 . 1 . 1 81 81 ARG CB C 13 29.270 0.000 . 1 . . . . . 81 ARG CB . 28104 1 450 . 1 . 1 81 81 ARG N N 15 121.876 0.000 . 1 . . . . . 81 ARG N . 28104 1 451 . 1 . 1 82 82 PRO CA C 13 65.577 0.000 . 1 . . . . . 82 PRO CA . 28104 1 452 . 1 . 1 82 82 PRO CB C 13 31.930 0.000 . 1 . . . . . 82 PRO CB . 28104 1 453 . 1 . 1 83 83 ARG H H 1 8.418 0.000 . 1 . . . . . 83 ARG H . 28104 1 454 . 1 . 1 83 83 ARG CA C 13 58.620 0.000 . 1 . . . . . 83 ARG CA . 28104 1 455 . 1 . 1 83 83 ARG CB C 13 30.070 0.000 . 1 . . . . . 83 ARG CB . 28104 1 456 . 1 . 1 83 83 ARG N N 15 116.566 0.000 . 1 . . . . . 83 ARG N . 28104 1 457 . 1 . 1 84 84 ASP H H 1 7.176 0.000 . 1 . . . . . 84 ASP H . 28104 1 458 . 1 . 1 84 84 ASP CA C 13 56.210 0.000 . 1 . . . . . 84 ASP CA . 28104 1 459 . 1 . 1 84 84 ASP CB C 13 39.630 0.000 . 1 . . . . . 84 ASP CB . 28104 1 460 . 1 . 1 84 84 ASP N N 15 120.076 0.000 . 1 . . . . . 84 ASP N . 28104 1 461 . 1 . 1 85 85 LEU H H 1 7.688 0.000 . 1 . . . . . 85 LEU H . 28104 1 462 . 1 . 1 85 85 LEU HD11 H 1 0.843 0.000 . 1 . . . . . 85 LEU HD11 . 28104 1 463 . 1 . 1 85 85 LEU HD12 H 1 0.843 0.000 . 1 . . . . . 85 LEU HD12 . 28104 1 464 . 1 . 1 85 85 LEU HD13 H 1 0.843 0.000 . 1 . . . . . 85 LEU HD13 . 28104 1 465 . 1 . 1 85 85 LEU HD21 H 1 0.912 0.000 . 1 . . . . . 85 LEU HD21 . 28104 1 466 . 1 . 1 85 85 LEU HD22 H 1 0.912 0.000 . 1 . . . . . 85 LEU HD22 . 28104 1 467 . 1 . 1 85 85 LEU HD23 H 1 0.912 0.000 . 1 . . . . . 85 LEU HD23 . 28104 1 468 . 1 . 1 85 85 LEU CA C 13 57.313 0.000 . 1 . . . . . 85 LEU CA . 28104 1 469 . 1 . 1 85 85 LEU CB C 13 41.750 0.000 . 1 . . . . . 85 LEU CB . 28104 1 470 . 1 . 1 85 85 LEU CD1 C 13 25.227 0.000 . 1 . . . . . 85 LEU CD1 . 28104 1 471 . 1 . 1 85 85 LEU CD2 C 13 24.822 0.000 . 1 . . . . . 85 LEU CD2 . 28104 1 472 . 1 . 1 85 85 LEU N N 15 122.877 0.000 . 1 . . . . . 85 LEU N . 28104 1 473 . 1 . 1 86 86 ILE H H 1 8.350 0.000 . 1 . . . . . 86 ILE H . 28104 1 474 . 1 . 1 86 86 ILE HD11 H 1 0.680 0.000 . 1 . . . . . 86 ILE HD11 . 28104 1 475 . 1 . 1 86 86 ILE HD12 H 1 0.680 0.000 . 1 . . . . . 86 ILE HD12 . 28104 1 476 . 1 . 1 86 86 ILE HD13 H 1 0.680 0.000 . 1 . . . . . 86 ILE HD13 . 28104 1 477 . 1 . 1 86 86 ILE CA C 13 62.106 0.000 . 1 . . . . . 86 ILE CA . 28104 1 478 . 1 . 1 86 86 ILE CB C 13 34.980 0.000 . 1 . . . . . 86 ILE CB . 28104 1 479 . 1 . 1 86 86 ILE CD1 C 13 10.179 0.000 . 1 . . . . . 86 ILE CD1 . 28104 1 480 . 1 . 1 86 86 ILE N N 15 119.099 0.000 . 1 . . . . . 86 ILE N . 28104 1 481 . 1 . 1 87 87 SER H H 1 7.931 0.000 . 1 . . . . . 87 SER H . 28104 1 482 . 1 . 1 87 87 SER CA C 13 61.034 0.000 . 1 . . . . . 87 SER CA . 28104 1 483 . 1 . 1 87 87 SER CB C 13 62.470 0.000 . 1 . . . . . 87 SER CB . 28104 1 484 . 1 . 1 87 87 SER N N 15 116.356 0.000 . 1 . . . . . 87 SER N . 28104 1 485 . 1 . 1 88 88 ASN H H 1 7.753 0.000 . 1 . . . . . 88 ASN H . 28104 1 486 . 1 . 1 88 88 ASN CA C 13 56.141 0.000 . 1 . . . . . 88 ASN CA . 28104 1 487 . 1 . 1 88 88 ASN CB C 13 38.170 0.000 . 1 . . . . . 88 ASN CB . 28104 1 488 . 1 . 1 88 88 ASN N N 15 120.665 0.000 . 1 . . . . . 88 ASN N . 28104 1 489 . 1 . 1 89 89 ILE H H 1 8.037 0.000 . 1 . . . . . 89 ILE H . 28104 1 490 . 1 . 1 89 89 ILE HD11 H 1 0.642 0.000 . 1 . . . . . 89 ILE HD11 . 28104 1 491 . 1 . 1 89 89 ILE HD12 H 1 0.642 0.000 . 1 . . . . . 89 ILE HD12 . 28104 1 492 . 1 . 1 89 89 ILE HD13 H 1 0.642 0.000 . 1 . . . . . 89 ILE HD13 . 28104 1 493 . 1 . 1 89 89 ILE CA C 13 65.289 0.000 . 1 . . . . . 89 ILE CA . 28104 1 494 . 1 . 1 89 89 ILE CB C 13 37.536 0.000 . 1 . . . . . 89 ILE CB . 28104 1 495 . 1 . 1 89 89 ILE CD1 C 13 13.783 0.000 . 1 . . . . . 89 ILE CD1 . 28104 1 496 . 1 . 1 89 89 ILE N N 15 120.821 0.000 . 1 . . . . . 89 ILE N . 28104 1 497 . 1 . 1 90 90 ASN H H 1 8.602 0.000 . 1 . . . . . 90 ASN H . 28104 1 498 . 1 . 1 90 90 ASN CA C 13 56.496 0.000 . 1 . . . . . 90 ASN CA . 28104 1 499 . 1 . 1 90 90 ASN CB C 13 39.337 0.000 . 1 . . . . . 90 ASN CB . 28104 1 500 . 1 . 1 90 90 ASN N N 15 119.155 0.000 . 1 . . . . . 90 ASN N . 28104 1 501 . 1 . 1 91 91 VAL H H 1 7.889 0.000 . 1 . . . . . 91 VAL H . 28104 1 502 . 1 . 1 91 91 VAL HG11 H 1 0.981 0.000 . 1 . . . . . 91 VAL HG11 . 28104 1 503 . 1 . 1 91 91 VAL HG12 H 1 0.981 0.000 . 1 . . . . . 91 VAL HG12 . 28104 1 504 . 1 . 1 91 91 VAL HG13 H 1 0.981 0.000 . 1 . . . . . 91 VAL HG13 . 28104 1 505 . 1 . 1 91 91 VAL HG21 H 1 1.140 0.000 . 1 . . . . . 91 VAL HG21 . 28104 1 506 . 1 . 1 91 91 VAL HG22 H 1 1.140 0.000 . 1 . . . . . 91 VAL HG22 . 28104 1 507 . 1 . 1 91 91 VAL HG23 H 1 1.140 0.000 . 1 . . . . . 91 VAL HG23 . 28104 1 508 . 1 . 1 91 91 VAL CA C 13 66.060 0.000 . 1 . . . . . 91 VAL CA . 28104 1 509 . 1 . 1 91 91 VAL CB C 13 31.533 0.000 . 1 . . . . . 91 VAL CB . 28104 1 510 . 1 . 1 91 91 VAL CG1 C 13 21.164 0.000 . 1 . . . . . 91 VAL CG1 . 28104 1 511 . 1 . 1 91 91 VAL CG2 C 13 22.705 0.000 . 1 . . . . . 91 VAL CG2 . 28104 1 512 . 1 . 1 91 91 VAL N N 15 118.495 0.000 . 1 . . . . . 91 VAL N . 28104 1 513 . 1 . 1 92 92 ILE H H 1 7.591 0.000 . 1 . . . . . 92 ILE H . 28104 1 514 . 1 . 1 92 92 ILE HD11 H 1 0.719 0.000 . 1 . . . . . 92 ILE HD11 . 28104 1 515 . 1 . 1 92 92 ILE HD12 H 1 0.719 0.000 . 1 . . . . . 92 ILE HD12 . 28104 1 516 . 1 . 1 92 92 ILE HD13 H 1 0.719 0.000 . 1 . . . . . 92 ILE HD13 . 28104 1 517 . 1 . 1 92 92 ILE CA C 13 64.763 0.000 . 1 . . . . . 92 ILE CA . 28104 1 518 . 1 . 1 92 92 ILE CB C 13 37.645 0.000 . 1 . . . . . 92 ILE CB . 28104 1 519 . 1 . 1 92 92 ILE CD1 C 13 13.582 0.000 . 1 . . . . . 92 ILE CD1 . 28104 1 520 . 1 . 1 92 92 ILE N N 15 122.158 0.000 . 1 . . . . . 92 ILE N . 28104 1 521 . 1 . 1 93 93 VAL H H 1 8.660 0.000 . 1 . . . . . 93 VAL H . 28104 1 522 . 1 . 1 93 93 VAL HG11 H 1 0.881 0.000 . 1 . . . . . 93 VAL HG11 . 28104 1 523 . 1 . 1 93 93 VAL HG12 H 1 0.881 0.000 . 1 . . . . . 93 VAL HG12 . 28104 1 524 . 1 . 1 93 93 VAL HG13 H 1 0.881 0.000 . 1 . . . . . 93 VAL HG13 . 28104 1 525 . 1 . 1 93 93 VAL HG21 H 1 0.986 0.000 . 1 . . . . . 93 VAL HG21 . 28104 1 526 . 1 . 1 93 93 VAL HG22 H 1 0.986 0.000 . 1 . . . . . 93 VAL HG22 . 28104 1 527 . 1 . 1 93 93 VAL HG23 H 1 0.986 0.000 . 1 . . . . . 93 VAL HG23 . 28104 1 528 . 1 . 1 93 93 VAL CA C 13 66.717 0.000 . 1 . . . . . 93 VAL CA . 28104 1 529 . 1 . 1 93 93 VAL CB C 13 30.875 0.000 . 1 . . . . . 93 VAL CB . 28104 1 530 . 1 . 1 93 93 VAL CG1 C 13 22.679 0.000 . 1 . . . . . 93 VAL CG1 . 28104 1 531 . 1 . 1 93 93 VAL CG2 C 13 24.128 0.000 . 1 . . . . . 93 VAL CG2 . 28104 1 532 . 1 . 1 93 93 VAL N N 15 119.596 0.000 . 1 . . . . . 93 VAL N . 28104 1 533 . 1 . 1 94 94 LEU H H 1 7.984 0.000 . 1 . . . . . 94 LEU H . 28104 1 534 . 1 . 1 94 94 LEU HD11 H 1 0.863 0.000 . 1 . . . . . 94 LEU HD11 . 28104 1 535 . 1 . 1 94 94 LEU HD12 H 1 0.863 0.000 . 1 . . . . . 94 LEU HD12 . 28104 1 536 . 1 . 1 94 94 LEU HD13 H 1 0.863 0.000 . 1 . . . . . 94 LEU HD13 . 28104 1 537 . 1 . 1 94 94 LEU HD21 H 1 0.864 0.000 . 1 . . . . . 94 LEU HD21 . 28104 1 538 . 1 . 1 94 94 LEU HD22 H 1 0.864 0.000 . 1 . . . . . 94 LEU HD22 . 28104 1 539 . 1 . 1 94 94 LEU HD23 H 1 0.864 0.000 . 1 . . . . . 94 LEU HD23 . 28104 1 540 . 1 . 1 94 94 LEU CA C 13 57.491 0.000 . 1 . . . . . 94 LEU CA . 28104 1 541 . 1 . 1 94 94 LEU CB C 13 41.077 0.000 . 1 . . . . . 94 LEU CB . 28104 1 542 . 1 . 1 94 94 LEU CD1 C 13 25.107 0.000 . 1 . . . . . 94 LEU CD1 . 28104 1 543 . 1 . 1 94 94 LEU CD2 C 13 23.217 0.000 . 1 . . . . . 94 LEU CD2 . 28104 1 544 . 1 . 1 94 94 LEU N N 15 119.604 0.000 . 1 . . . . . 94 LEU N . 28104 1 545 . 1 . 1 95 95 GLU H H 1 7.619 0.000 . 1 . . . . . 95 GLU H . 28104 1 546 . 1 . 1 95 95 GLU CA C 13 58.298 0.000 . 1 . . . . . 95 GLU CA . 28104 1 547 . 1 . 1 95 95 GLU CB C 13 29.417 0.000 . 1 . . . . . 95 GLU CB . 28104 1 548 . 1 . 1 95 95 GLU N N 15 119.891 0.000 . 1 . . . . . 95 GLU N . 28104 1 549 . 1 . 1 96 96 LEU H H 1 8.244 0.000 . 1 . . . . . 96 LEU H . 28104 1 550 . 1 . 1 96 96 LEU HD11 H 1 0.771 0.000 . 1 . . . . . 96 LEU HD11 . 28104 1 551 . 1 . 1 96 96 LEU HD12 H 1 0.771 0.000 . 1 . . . . . 96 LEU HD12 . 28104 1 552 . 1 . 1 96 96 LEU HD13 H 1 0.771 0.000 . 1 . . . . . 96 LEU HD13 . 28104 1 553 . 1 . 1 96 96 LEU HD21 H 1 1.024 0.000 . 1 . . . . . 96 LEU HD21 . 28104 1 554 . 1 . 1 96 96 LEU HD22 H 1 1.024 0.000 . 1 . . . . . 96 LEU HD22 . 28104 1 555 . 1 . 1 96 96 LEU HD23 H 1 1.024 0.000 . 1 . . . . . 96 LEU HD23 . 28104 1 556 . 1 . 1 96 96 LEU CA C 13 56.100 0.000 . 1 . . . . . 96 LEU CA . 28104 1 557 . 1 . 1 96 96 LEU CB C 13 43.350 0.000 . 1 . . . . . 96 LEU CB . 28104 1 558 . 1 . 1 96 96 LEU CD1 C 13 27.074 0.000 . 1 . . . . . 96 LEU CD1 . 28104 1 559 . 1 . 1 96 96 LEU CD2 C 13 24.139 0.000 . 1 . . . . . 96 LEU CD2 . 28104 1 560 . 1 . 1 96 96 LEU N N 15 119.877 0.000 . 1 . . . . . 96 LEU N . 28104 1 561 . 1 . 1 97 97 LYS H H 1 8.293 0.000 . 1 . . . . . 97 LYS H . 28104 1 562 . 1 . 1 97 97 LYS CA C 13 57.628 0.000 . 1 . . . . . 97 LYS CA . 28104 1 563 . 1 . 1 97 97 LYS CB C 13 32.320 0.000 . 1 . . . . . 97 LYS CB . 28104 1 564 . 1 . 1 97 97 LYS N N 15 117.303 0.000 . 1 . . . . . 97 LYS N . 28104 1 565 . 1 . 1 98 98 GLY H H 1 7.396 0.000 . 1 . . . . . 98 GLY H . 28104 1 566 . 1 . 1 98 98 GLY CA C 13 44.634 0.000 . 1 . . . . . 98 GLY CA . 28104 1 567 . 1 . 1 98 98 GLY N N 15 108.415 0.000 . 1 . . . . . 98 GLY N . 28104 1 568 . 1 . 1 99 99 SER H H 1 8.418 0.000 . 1 . . . . . 99 SER H . 28104 1 569 . 1 . 1 99 99 SER CA C 13 57.922 0.000 . 1 . . . . . 99 SER CA . 28104 1 570 . 1 . 1 99 99 SER CB C 13 63.400 0.000 . 1 . . . . . 99 SER CB . 28104 1 571 . 1 . 1 99 99 SER N N 15 116.689 0.000 . 1 . . . . . 99 SER N . 28104 1 572 . 1 . 1 100 100 GLU H H 1 8.395 0.000 . 1 . . . . . 100 GLU H . 28104 1 573 . 1 . 1 100 100 GLU CA C 13 56.036 0.000 . 1 . . . . . 100 GLU CA . 28104 1 574 . 1 . 1 100 100 GLU CB C 13 29.270 0.000 . 1 . . . . . 100 GLU CB . 28104 1 575 . 1 . 1 100 100 GLU N N 15 123.919 0.000 . 1 . . . . . 100 GLU N . 28104 1 576 . 1 . 1 101 101 THR H H 1 8.083 0.000 . 1 . . . . . 101 THR H . 28104 1 577 . 1 . 1 101 101 THR CA C 13 61.540 0.000 . 1 . . . . . 101 THR CA . 28104 1 578 . 1 . 1 101 101 THR CB C 13 69.250 0.000 . 1 . . . . . 101 THR CB . 28104 1 579 . 1 . 1 101 101 THR N N 15 116.157 0.000 . 1 . . . . . 101 THR N . 28104 1 580 . 1 . 1 102 102 THR H H 1 8.089 0.000 . 1 . . . . . 102 THR H . 28104 1 581 . 1 . 1 102 102 THR CA C 13 61.280 0.000 . 1 . . . . . 102 THR CA . 28104 1 582 . 1 . 1 102 102 THR CB C 13 69.250 0.000 . 1 . . . . . 102 THR CB . 28104 1 583 . 1 . 1 102 102 THR N N 15 116.911 0.000 . 1 . . . . . 102 THR N . 28104 1 584 . 1 . 1 103 103 PHE H H 1 8.234 0.000 . 1 . . . . . 103 PHE H . 28104 1 585 . 1 . 1 103 103 PHE CA C 13 57.290 0.000 . 1 . . . . . 103 PHE CA . 28104 1 586 . 1 . 1 103 103 PHE CB C 13 40.030 0.000 . 1 . . . . . 103 PHE CB . 28104 1 587 . 1 . 1 103 103 PHE N N 15 126.008 0.000 . 1 . . . . . 103 PHE N . 28104 1 588 . 1 . 1 104 104 MET H H 1 7.707 0.000 . 1 . . . . . 104 MET H . 28104 1 589 . 1 . 1 104 104 MET CA C 13 53.236 0.000 . 1 . . . . . 104 MET CA . 28104 1 590 . 1 . 1 104 104 MET CB C 13 32.990 0.000 . 1 . . . . . 104 MET CB . 28104 1 591 . 1 . 1 104 104 MET N N 15 125.922 0.000 . 1 . . . . . 104 MET N . 28104 1 592 . 1 . 1 105 105 CYS H H 1 8.751 0.000 . 1 . . . . . 105 CYS H . 28104 1 593 . 1 . 1 105 105 CYS CA C 13 57.490 0.000 . 1 . . . . . 105 CYS CA . 28104 1 594 . 1 . 1 105 105 CYS CB C 13 45.314 0.000 . 1 . . . . . 105 CYS CB . 28104 1 595 . 1 . 1 105 105 CYS N N 15 124.286 0.000 . 1 . . . . . 105 CYS N . 28104 1 596 . 1 . 1 106 106 GLU H H 1 8.060 0.000 . 1 . . . . . 106 GLU H . 28104 1 597 . 1 . 1 106 106 GLU CA C 13 54.311 0.000 . 1 . . . . . 106 GLU CA . 28104 1 598 . 1 . 1 106 106 GLU CB C 13 30.600 0.000 . 1 . . . . . 106 GLU CB . 28104 1 599 . 1 . 1 106 106 GLU N N 15 128.100 0.000 . 1 . . . . . 106 GLU N . 28104 1 600 . 1 . 1 107 107 TYR H H 1 8.808 0.000 . 1 . . . . . 107 TYR H . 28104 1 601 . 1 . 1 107 107 TYR CA C 13 57.830 0.000 . 1 . . . . . 107 TYR CA . 28104 1 602 . 1 . 1 107 107 TYR CB C 13 39.760 0.000 . 1 . . . . . 107 TYR CB . 28104 1 603 . 1 . 1 107 107 TYR N N 15 126.259 0.000 . 1 . . . . . 107 TYR N . 28104 1 604 . 1 . 1 108 108 ALA H H 1 8.958 0.000 . 1 . . . . . 108 ALA H . 28104 1 605 . 1 . 1 108 108 ALA CA C 13 50.790 0.000 . 1 . . . . . 108 ALA CA . 28104 1 606 . 1 . 1 108 108 ALA CB C 13 18.650 0.000 . 1 . . . . . 108 ALA CB . 28104 1 607 . 1 . 1 108 108 ALA N N 15 124.631 0.000 . 1 . . . . . 108 ALA N . 28104 1 608 . 1 . 1 109 109 ASP H H 1 8.685 0.000 . 1 . . . . . 109 ASP H . 28104 1 609 . 1 . 1 109 109 ASP CA C 13 55.830 0.000 . 1 . . . . . 109 ASP CA . 28104 1 610 . 1 . 1 109 109 ASP CB C 13 40.160 0.000 . 1 . . . . . 109 ASP CB . 28104 1 611 . 1 . 1 109 109 ASP N N 15 122.171 0.000 . 1 . . . . . 109 ASP N . 28104 1 612 . 1 . 1 110 110 GLU H H 1 7.673 0.000 . 1 . . . . . 110 GLU H . 28104 1 613 . 1 . 1 110 110 GLU CA C 13 55.496 0.000 . 1 . . . . . 110 GLU CA . 28104 1 614 . 1 . 1 110 110 GLU CB C 13 29.665 0.000 . 1 . . . . . 110 GLU CB . 28104 1 615 . 1 . 1 110 110 GLU N N 15 118.500 0.000 . 1 . . . . . 110 GLU N . 28104 1 616 . 1 . 1 111 111 THR H H 1 8.212 0.000 . 1 . . . . . 111 THR H . 28104 1 617 . 1 . 1 111 111 THR CA C 13 60.480 0.000 . 1 . . . . . 111 THR CA . 28104 1 618 . 1 . 1 111 111 THR CB C 13 70.570 0.000 . 1 . . . . . 111 THR CB . 28104 1 619 . 1 . 1 111 111 THR N N 15 118.121 0.000 . 1 . . . . . 111 THR N . 28104 1 620 . 1 . 1 112 112 ALA H H 1 9.030 0.000 . 1 . . . . . 112 ALA H . 28104 1 621 . 1 . 1 112 112 ALA CA C 13 49.920 0.000 . 1 . . . . . 112 ALA CA . 28104 1 622 . 1 . 1 112 112 ALA CB C 13 22.900 0.000 . 1 . . . . . 112 ALA CB . 28104 1 623 . 1 . 1 112 112 ALA N N 15 124.329 0.000 . 1 . . . . . 112 ALA N . 28104 1 624 . 1 . 1 113 113 THR H H 1 8.526 0.000 . 1 . . . . . 113 THR H . 28104 1 625 . 1 . 1 113 113 THR CA C 13 60.418 0.000 . 1 . . . . . 113 THR CA . 28104 1 626 . 1 . 1 113 113 THR CB C 13 72.436 0.000 . 1 . . . . . 113 THR CB . 28104 1 627 . 1 . 1 113 113 THR N N 15 110.711 0.000 . 1 . . . . . 113 THR N . 28104 1 628 . 1 . 1 114 114 ILE H H 1 10.185 0.000 . 1 . . . . . 114 ILE H . 28104 1 629 . 1 . 1 114 114 ILE HD11 H 1 0.682 0.000 . 1 . . . . . 114 ILE HD11 . 28104 1 630 . 1 . 1 114 114 ILE HD12 H 1 0.682 0.000 . 1 . . . . . 114 ILE HD12 . 28104 1 631 . 1 . 1 114 114 ILE HD13 H 1 0.682 0.000 . 1 . . . . . 114 ILE HD13 . 28104 1 632 . 1 . 1 114 114 ILE CA C 13 62.774 0.000 . 1 . . . . . 114 ILE CA . 28104 1 633 . 1 . 1 114 114 ILE CB C 13 36.422 0.000 . 1 . . . . . 114 ILE CB . 28104 1 634 . 1 . 1 114 114 ILE CD1 C 13 14.668 0.000 . 1 . . . . . 114 ILE CD1 . 28104 1 635 . 1 . 1 114 114 ILE N N 15 119.784 0.000 . 1 . . . . . 114 ILE N . 28104 1 636 . 1 . 1 115 115 VAL H H 1 6.797 0.000 . 1 . . . . . 115 VAL H . 28104 1 637 . 1 . 1 115 115 VAL HG11 H 1 0.932 0.000 . 1 . . . . . 115 VAL HG11 . 28104 1 638 . 1 . 1 115 115 VAL HG12 H 1 0.932 0.000 . 1 . . . . . 115 VAL HG12 . 28104 1 639 . 1 . 1 115 115 VAL HG13 H 1 0.932 0.000 . 1 . . . . . 115 VAL HG13 . 28104 1 640 . 1 . 1 115 115 VAL HG21 H 1 0.960 0.000 . 1 . . . . . 115 VAL HG21 . 28104 1 641 . 1 . 1 115 115 VAL HG22 H 1 0.960 0.000 . 1 . . . . . 115 VAL HG22 . 28104 1 642 . 1 . 1 115 115 VAL HG23 H 1 0.960 0.000 . 1 . . . . . 115 VAL HG23 . 28104 1 643 . 1 . 1 115 115 VAL CA C 13 66.067 0.000 . 1 . . . . . 115 VAL CA . 28104 1 644 . 1 . 1 115 115 VAL CB C 13 31.956 0.000 . 1 . . . . . 115 VAL CB . 28104 1 645 . 1 . 1 115 115 VAL CG1 C 13 21.031 0.000 . 1 . . . . . 115 VAL CG1 . 28104 1 646 . 1 . 1 115 115 VAL CG2 C 13 22.790 0.000 . 1 . . . . . 115 VAL CG2 . 28104 1 647 . 1 . 1 115 115 VAL N N 15 121.883 0.000 . 1 . . . . . 115 VAL N . 28104 1 648 . 1 . 1 116 116 GLU H H 1 7.196 0.000 . 1 . . . . . 116 GLU H . 28104 1 649 . 1 . 1 116 116 GLU CA C 13 58.536 0.000 . 1 . . . . . 116 GLU CA . 28104 1 650 . 1 . 1 116 116 GLU CB C 13 29.670 0.000 . 1 . . . . . 116 GLU CB . 28104 1 651 . 1 . 1 116 116 GLU N N 15 122.171 0.000 . 1 . . . . . 116 GLU N . 28104 1 652 . 1 . 1 117 117 PHE H H 1 8.839 0.000 . 1 . . . . . 117 PHE H . 28104 1 653 . 1 . 1 117 117 PHE CA C 13 60.537 0.000 . 1 . . . . . 117 PHE CA . 28104 1 654 . 1 . 1 117 117 PHE CB C 13 38.726 0.000 . 1 . . . . . 117 PHE CB . 28104 1 655 . 1 . 1 117 117 PHE N N 15 122.932 0.000 . 1 . . . . . 117 PHE N . 28104 1 656 . 1 . 1 118 118 LEU H H 1 8.300 0.000 . 1 . . . . . 118 LEU H . 28104 1 657 . 1 . 1 118 118 LEU HD11 H 1 0.830 0.000 . 1 . . . . . 118 LEU HD11 . 28104 1 658 . 1 . 1 118 118 LEU HD12 H 1 0.830 0.000 . 1 . . . . . 118 LEU HD12 . 28104 1 659 . 1 . 1 118 118 LEU HD13 H 1 0.830 0.000 . 1 . . . . . 118 LEU HD13 . 28104 1 660 . 1 . 1 118 118 LEU HD21 H 1 0.951 0.000 . 1 . . . . . 118 LEU HD21 . 28104 1 661 . 1 . 1 118 118 LEU HD22 H 1 0.951 0.000 . 1 . . . . . 118 LEU HD22 . 28104 1 662 . 1 . 1 118 118 LEU HD23 H 1 0.951 0.000 . 1 . . . . . 118 LEU HD23 . 28104 1 663 . 1 . 1 118 118 LEU CA C 13 57.581 0.000 . 1 . . . . . 118 LEU CA . 28104 1 664 . 1 . 1 118 118 LEU CB C 13 41.389 0.000 . 1 . . . . . 118 LEU CB . 28104 1 665 . 1 . 1 118 118 LEU CD1 C 13 27.750 0.000 . 1 . . . . . 118 LEU CD1 . 28104 1 666 . 1 . 1 118 118 LEU CD2 C 13 22.798 0.000 . 1 . . . . . 118 LEU CD2 . 28104 1 667 . 1 . 1 118 118 LEU N N 15 120.525 0.000 . 1 . . . . . 118 LEU N . 28104 1 668 . 1 . 1 119 119 ASN H H 1 8.283 0.000 . 1 . . . . . 119 ASN H . 28104 1 669 . 1 . 1 119 119 ASN CA C 13 56.195 0.000 . 1 . . . . . 119 ASN CA . 28104 1 670 . 1 . 1 119 119 ASN CB C 13 37.900 0.000 . 1 . . . . . 119 ASN CB . 28104 1 671 . 1 . 1 119 119 ASN N N 15 117.268 0.000 . 1 . . . . . 119 ASN N . 28104 1 672 . 1 . 1 120 120 ARG H H 1 8.146 0.000 . 1 . . . . . 120 ARG H . 28104 1 673 . 1 . 1 120 120 ARG CA C 13 57.307 0.000 . 1 . . . . . 120 ARG CA . 28104 1 674 . 1 . 1 120 120 ARG CB C 13 28.740 0.000 . 1 . . . . . 120 ARG CB . 28104 1 675 . 1 . 1 120 120 ARG N N 15 122.306 0.000 . 1 . . . . . 120 ARG N . 28104 1 676 . 1 . 1 121 121 TRP H H 1 7.507 0.000 . 1 . . . . . 121 TRP H . 28104 1 677 . 1 . 1 121 121 TRP CA C 13 59.251 0.000 . 1 . . . . . 121 TRP CA . 28104 1 678 . 1 . 1 121 121 TRP CB C 13 29.140 0.000 . 1 . . . . . 121 TRP CB . 28104 1 679 . 1 . 1 121 121 TRP N N 15 122.228 0.000 . 1 . . . . . 121 TRP N . 28104 1 680 . 1 . 1 122 122 ILE H H 1 8.814 0.000 . 1 . . . . . 122 ILE H . 28104 1 681 . 1 . 1 122 122 ILE HD11 H 1 0.735 0.000 . 1 . . . . . 122 ILE HD11 . 28104 1 682 . 1 . 1 122 122 ILE HD12 H 1 0.735 0.000 . 1 . . . . . 122 ILE HD12 . 28104 1 683 . 1 . 1 122 122 ILE HD13 H 1 0.735 0.000 . 1 . . . . . 122 ILE HD13 . 28104 1 684 . 1 . 1 122 122 ILE CA C 13 66.136 0.000 . 1 . . . . . 122 ILE CA . 28104 1 685 . 1 . 1 122 122 ILE CB C 13 37.739 0.000 . 1 . . . . . 122 ILE CB . 28104 1 686 . 1 . 1 122 122 ILE CD1 C 13 14.078 0.000 . 1 . . . . . 122 ILE CD1 . 28104 1 687 . 1 . 1 122 122 ILE N N 15 128.779 0.000 . 1 . . . . . 122 ILE N . 28104 1 688 . 1 . 1 123 123 THR H H 1 8.309 0.000 . 1 . . . . . 123 THR H . 28104 1 689 . 1 . 1 123 123 THR CA C 13 66.195 0.000 . 1 . . . . . 123 THR CA . 28104 1 690 . 1 . 1 123 123 THR CB C 13 68.580 0.000 . 1 . . . . . 123 THR CB . 28104 1 691 . 1 . 1 123 123 THR N N 15 118.437 0.000 . 1 . . . . . 123 THR N . 28104 1 692 . 1 . 1 124 124 PHE H H 1 8.182 0.000 . 1 . . . . . 124 PHE H . 28104 1 693 . 1 . 1 124 124 PHE CA C 13 60.244 0.000 . 1 . . . . . 124 PHE CA . 28104 1 694 . 1 . 1 124 124 PHE CB C 13 38.300 0.000 . 1 . . . . . 124 PHE CB . 28104 1 695 . 1 . 1 124 124 PHE N N 15 123.611 0.000 . 1 . . . . . 124 PHE N . 28104 1 696 . 1 . 1 125 125 SER H H 1 8.066 0.000 . 1 . . . . . 125 SER H . 28104 1 697 . 1 . 1 125 125 SER CA C 13 62.901 0.000 . 1 . . . . . 125 SER CA . 28104 1 698 . 1 . 1 125 125 SER CB C 13 65.153 0.000 . 1 . . . . . 125 SER CB . 28104 1 699 . 1 . 1 125 125 SER N N 15 118.268 0.000 . 1 . . . . . 125 SER N . 28104 1 700 . 1 . 1 126 126 GLN H H 1 8.315 0.000 . 1 . . . . . 126 GLN H . 28104 1 701 . 1 . 1 126 126 GLN CA C 13 58.245 0.000 . 1 . . . . . 126 GLN CA . 28104 1 702 . 1 . 1 126 126 GLN CB C 13 28.470 0.000 . 1 . . . . . 126 GLN CB . 28104 1 703 . 1 . 1 126 126 GLN N N 15 118.075 0.000 . 1 . . . . . 126 GLN N . 28104 1 704 . 1 . 1 127 127 SER H H 1 8.308 0.000 . 1 . . . . . 127 SER H . 28104 1 705 . 1 . 1 127 127 SER CA C 13 61.010 0.000 . 1 . . . . . 127 SER CA . 28104 1 706 . 1 . 1 127 127 SER CB C 13 61.951 0.000 . 1 . . . . . 127 SER CB . 28104 1 707 . 1 . 1 127 127 SER N N 15 117.618 0.000 . 1 . . . . . 127 SER N . 28104 1 708 . 1 . 1 128 128 ILE H H 1 7.809 0.000 . 1 . . . . . 128 ILE H . 28104 1 709 . 1 . 1 128 128 ILE HD11 H 1 0.250 0.000 . 1 . . . . . 128 ILE HD11 . 28104 1 710 . 1 . 1 128 128 ILE HD12 H 1 0.250 0.000 . 1 . . . . . 128 ILE HD12 . 28104 1 711 . 1 . 1 128 128 ILE HD13 H 1 0.250 0.000 . 1 . . . . . 128 ILE HD13 . 28104 1 712 . 1 . 1 128 128 ILE CA C 13 62.339 0.000 . 1 . . . . . 128 ILE CA . 28104 1 713 . 1 . 1 128 128 ILE CB C 13 35.200 0.000 . 1 . . . . . 128 ILE CB . 28104 1 714 . 1 . 1 128 128 ILE CD1 C 13 10.068 0.000 . 1 . . . . . 128 ILE CD1 . 28104 1 715 . 1 . 1 128 128 ILE N N 15 122.854 0.000 . 1 . . . . . 128 ILE N . 28104 1 716 . 1 . 1 129 129 ILE H H 1 8.099 0.000 . 1 . . . . . 129 ILE H . 28104 1 717 . 1 . 1 129 129 ILE HD11 H 1 0.764 0.000 . 1 . . . . . 129 ILE HD11 . 28104 1 718 . 1 . 1 129 129 ILE HD12 H 1 0.764 0.000 . 1 . . . . . 129 ILE HD12 . 28104 1 719 . 1 . 1 129 129 ILE HD13 H 1 0.764 0.000 . 1 . . . . . 129 ILE HD13 . 28104 1 720 . 1 . 1 129 129 ILE CA C 13 65.930 0.000 . 1 . . . . . 129 ILE CA . 28104 1 721 . 1 . 1 129 129 ILE CB C 13 37.640 0.000 . 1 . . . . . 129 ILE CB . 28104 1 722 . 1 . 1 129 129 ILE CD1 C 13 13.760 0.000 . 1 . . . . . 129 ILE CD1 . 28104 1 723 . 1 . 1 129 129 ILE N N 15 123.533 0.000 . 1 . . . . . 129 ILE N . 28104 1 724 . 1 . 1 130 130 SER H H 1 7.712 0.000 . 1 . . . . . 130 SER H . 28104 1 725 . 1 . 1 130 130 SER CA C 13 60.625 0.000 . 1 . . . . . 130 SER CA . 28104 1 726 . 1 . 1 130 130 SER CB C 13 62.740 0.000 . 1 . . . . . 130 SER CB . 28104 1 727 . 1 . 1 130 130 SER N N 15 114.485 0.000 . 1 . . . . . 130 SER N . 28104 1 728 . 1 . 1 131 131 THR H H 1 7.560 0.000 . 1 . . . . . 131 THR H . 28104 1 729 . 1 . 1 131 131 THR CA C 13 61.940 0.000 . 1 . . . . . 131 THR CA . 28104 1 730 . 1 . 1 131 131 THR CB C 13 69.380 0.000 . 1 . . . . . 131 THR CB . 28104 1 731 . 1 . 1 131 131 THR N N 15 112.505 0.000 . 1 . . . . . 131 THR N . 28104 1 732 . 1 . 1 132 132 LEU H H 1 7.428 0.000 . 1 . . . . . 132 LEU H . 28104 1 733 . 1 . 1 132 132 LEU HD11 H 1 0.825 0.000 . 1 . . . . . 132 LEU HD11 . 28104 1 734 . 1 . 1 132 132 LEU HD12 H 1 0.825 0.000 . 1 . . . . . 132 LEU HD12 . 28104 1 735 . 1 . 1 132 132 LEU HD13 H 1 0.825 0.000 . 1 . . . . . 132 LEU HD13 . 28104 1 736 . 1 . 1 132 132 LEU HD21 H 1 0.833 0.000 . 1 . . . . . 132 LEU HD21 . 28104 1 737 . 1 . 1 132 132 LEU HD22 H 1 0.833 0.000 . 1 . . . . . 132 LEU HD22 . 28104 1 738 . 1 . 1 132 132 LEU HD23 H 1 0.833 0.000 . 1 . . . . . 132 LEU HD23 . 28104 1 739 . 1 . 1 132 132 LEU CA C 13 54.824 0.000 . 1 . . . . . 132 LEU CA . 28104 1 740 . 1 . 1 132 132 LEU CB C 13 41.490 0.000 . 1 . . . . . 132 LEU CB . 28104 1 741 . 1 . 1 132 132 LEU CD1 C 13 26.080 0.000 . 1 . . . . . 132 LEU CD1 . 28104 1 742 . 1 . 1 132 132 LEU CD2 C 13 22.503 0.000 . 1 . . . . . 132 LEU CD2 . 28104 1 743 . 1 . 1 132 132 LEU N N 15 124.134 0.000 . 1 . . . . . 132 LEU N . 28104 1 744 . 1 . 1 133 133 THR H H 1 7.425 0.000 . 1 . . . . . 133 THR H . 28104 1 745 . 1 . 1 133 133 THR CA C 13 62.476 0.000 . 1 . . . . . 133 THR CA . 28104 1 746 . 1 . 1 133 133 THR CB C 13 70.570 0.000 . 1 . . . . . 133 THR CB . 28104 1 747 . 1 . 1 133 133 THR N N 15 119.703 0.000 . 1 . . . . . 133 THR N . 28104 1 stop_ save_