data_28106 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28106 _Entry.Title ; Backbone and ILV methyl assignments for HNH domain of SpCas9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-23 _Entry.Accession_date 2020-03-23 _Entry.Last_release_date 2020-03-24 _Entry.Original_release_date 2020-03-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Andrew McShan . . . . 28106 2 Viviane 'De Paula' . S . . 28106 3 Danai Moschidi . S. . . 28106 4 Nikolaos Sgourakis . G. . . 28106 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28106 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 28106 '15N chemical shifts' 92 28106 '1H chemical shifts' 251 28106 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 2020-03-24 update BMRB 'update entry citation' 28106 1 . . 2020-12-02 2020-03-24 original author 'original release' 28106 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28106 _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. . . . 28106 1 2 Viviane 'De Paula' V. S. . . 28106 1 3 Andrew McShan A. C. . . 28106 1 4 Nikolaos Sgourakis N. G. . . 28106 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28106 _Assembly.ID 1 _Assembly.Name 'HNH domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HNH domain' 1 $HNH_domain A . yes native no no . . . 28106 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 4cmp . . . . . . 28106 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HNH_domain _Entity.Sf_category entity _Entity.Sf_framecode HNH_domain _Entity.Entry_ID 28106 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HNH_domain _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 ; NSRERMKRIEEGIKELGSQI LKEHPVENTQLQNEKLYLYY LQNGRDMYVDQELDINRLSD YDVDHIVPQSFLKDDSIDNK VLTRSDKNRGKSDNVPSEEV VKKMKNYWRQLLNAKLITQR KFDNLTKAERGGL ; _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 '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_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 . ASN . 28106 1 2 . SER . 28106 1 3 . ARG . 28106 1 4 . GLU . 28106 1 5 . ARG . 28106 1 6 . MET . 28106 1 7 . LYS . 28106 1 8 . ARG . 28106 1 9 . ILE . 28106 1 10 . GLU . 28106 1 11 . GLU . 28106 1 12 . GLY . 28106 1 13 . ILE . 28106 1 14 . LYS . 28106 1 15 . GLU . 28106 1 16 . LEU . 28106 1 17 . GLY . 28106 1 18 . SER . 28106 1 19 . GLN . 28106 1 20 . ILE . 28106 1 21 . LEU . 28106 1 22 . LYS . 28106 1 23 . GLU . 28106 1 24 . HIS . 28106 1 25 . PRO . 28106 1 26 . VAL . 28106 1 27 . GLU . 28106 1 28 . ASN . 28106 1 29 . THR . 28106 1 30 . GLN . 28106 1 31 . LEU . 28106 1 32 . GLN . 28106 1 33 . ASN . 28106 1 34 . GLU . 28106 1 35 . LYS . 28106 1 36 . LEU . 28106 1 37 . TYR . 28106 1 38 . LEU . 28106 1 39 . TYR . 28106 1 40 . TYR . 28106 1 41 . LEU . 28106 1 42 . GLN . 28106 1 43 . ASN . 28106 1 44 . GLY . 28106 1 45 . ARG . 28106 1 46 . ASP . 28106 1 47 . MET . 28106 1 48 . TYR . 28106 1 49 . VAL . 28106 1 50 . ASP . 28106 1 51 . GLN . 28106 1 52 . GLU . 28106 1 53 . LEU . 28106 1 54 . ASP . 28106 1 55 . ILE . 28106 1 56 . ASN . 28106 1 57 . ARG . 28106 1 58 . LEU . 28106 1 59 . SER . 28106 1 60 . ASP . 28106 1 61 . TYR . 28106 1 62 . ASP . 28106 1 63 . VAL . 28106 1 64 . ASP . 28106 1 65 . HIS . 28106 1 66 . ILE . 28106 1 67 . VAL . 28106 1 68 . PRO . 28106 1 69 . GLN . 28106 1 70 . SER . 28106 1 71 . PHE . 28106 1 72 . LEU . 28106 1 73 . LYS . 28106 1 74 . ASP . 28106 1 75 . ASP . 28106 1 76 . SER . 28106 1 77 . ILE . 28106 1 78 . ASP . 28106 1 79 . ASN . 28106 1 80 . LYS . 28106 1 81 . VAL . 28106 1 82 . LEU . 28106 1 83 . THR . 28106 1 84 . ARG . 28106 1 85 . SER . 28106 1 86 . ASP . 28106 1 87 . LYS . 28106 1 88 . ASN . 28106 1 89 . ARG . 28106 1 90 . GLY . 28106 1 91 . LYS . 28106 1 92 . SER . 28106 1 93 . ASP . 28106 1 94 . ASN . 28106 1 95 . VAL . 28106 1 96 . PRO . 28106 1 97 . SER . 28106 1 98 . GLU . 28106 1 99 . GLU . 28106 1 100 . VAL . 28106 1 101 . VAL . 28106 1 102 . LYS . 28106 1 103 . LYS . 28106 1 104 . MET . 28106 1 105 . LYS . 28106 1 106 . ASN . 28106 1 107 . TYR . 28106 1 108 . TRP . 28106 1 109 . ARG . 28106 1 110 . GLN . 28106 1 111 . LEU . 28106 1 112 . LEU . 28106 1 113 . ASN . 28106 1 114 . ALA . 28106 1 115 . LYS . 28106 1 116 . LEU . 28106 1 117 . ILE . 28106 1 118 . THR . 28106 1 119 . GLN . 28106 1 120 . ARG . 28106 1 121 . LYS . 28106 1 122 . PHE . 28106 1 123 . ASP . 28106 1 124 . ASN . 28106 1 125 . LEU . 28106 1 126 . THR . 28106 1 127 . LYS . 28106 1 128 . ALA . 28106 1 129 . GLU . 28106 1 130 . ARG . 28106 1 131 . GLY . 28106 1 132 . GLY . 28106 1 133 . LEU . 28106 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 . ASN 1 1 28106 1 . SER 2 2 28106 1 . ARG 3 3 28106 1 . GLU 4 4 28106 1 . ARG 5 5 28106 1 . MET 6 6 28106 1 . LYS 7 7 28106 1 . ARG 8 8 28106 1 . ILE 9 9 28106 1 . GLU 10 10 28106 1 . GLU 11 11 28106 1 . GLY 12 12 28106 1 . ILE 13 13 28106 1 . LYS 14 14 28106 1 . GLU 15 15 28106 1 . LEU 16 16 28106 1 . GLY 17 17 28106 1 . SER 18 18 28106 1 . GLN 19 19 28106 1 . ILE 20 20 28106 1 . LEU 21 21 28106 1 . LYS 22 22 28106 1 . GLU 23 23 28106 1 . HIS 24 24 28106 1 . PRO 25 25 28106 1 . VAL 26 26 28106 1 . GLU 27 27 28106 1 . ASN 28 28 28106 1 . THR 29 29 28106 1 . GLN 30 30 28106 1 . LEU 31 31 28106 1 . GLN 32 32 28106 1 . ASN 33 33 28106 1 . GLU 34 34 28106 1 . LYS 35 35 28106 1 . LEU 36 36 28106 1 . TYR 37 37 28106 1 . LEU 38 38 28106 1 . TYR 39 39 28106 1 . TYR 40 40 28106 1 . LEU 41 41 28106 1 . GLN 42 42 28106 1 . ASN 43 43 28106 1 . GLY 44 44 28106 1 . ARG 45 45 28106 1 . ASP 46 46 28106 1 . MET 47 47 28106 1 . TYR 48 48 28106 1 . VAL 49 49 28106 1 . ASP 50 50 28106 1 . GLN 51 51 28106 1 . GLU 52 52 28106 1 . LEU 53 53 28106 1 . ASP 54 54 28106 1 . ILE 55 55 28106 1 . ASN 56 56 28106 1 . ARG 57 57 28106 1 . LEU 58 58 28106 1 . SER 59 59 28106 1 . ASP 60 60 28106 1 . TYR 61 61 28106 1 . ASP 62 62 28106 1 . VAL 63 63 28106 1 . ASP 64 64 28106 1 . HIS 65 65 28106 1 . ILE 66 66 28106 1 . VAL 67 67 28106 1 . PRO 68 68 28106 1 . GLN 69 69 28106 1 . SER 70 70 28106 1 . PHE 71 71 28106 1 . LEU 72 72 28106 1 . LYS 73 73 28106 1 . ASP 74 74 28106 1 . ASP 75 75 28106 1 . SER 76 76 28106 1 . ILE 77 77 28106 1 . ASP 78 78 28106 1 . ASN 79 79 28106 1 . LYS 80 80 28106 1 . VAL 81 81 28106 1 . LEU 82 82 28106 1 . THR 83 83 28106 1 . ARG 84 84 28106 1 . SER 85 85 28106 1 . ASP 86 86 28106 1 . LYS 87 87 28106 1 . ASN 88 88 28106 1 . ARG 89 89 28106 1 . GLY 90 90 28106 1 . LYS 91 91 28106 1 . SER 92 92 28106 1 . ASP 93 93 28106 1 . ASN 94 94 28106 1 . VAL 95 95 28106 1 . PRO 96 96 28106 1 . SER 97 97 28106 1 . GLU 98 98 28106 1 . GLU 99 99 28106 1 . VAL 100 100 28106 1 . VAL 101 101 28106 1 . LYS 102 102 28106 1 . LYS 103 103 28106 1 . MET 104 104 28106 1 . LYS 105 105 28106 1 . ASN 106 106 28106 1 . TYR 107 107 28106 1 . TRP 108 108 28106 1 . ARG 109 109 28106 1 . GLN 110 110 28106 1 . LEU 111 111 28106 1 . LEU 112 112 28106 1 . ASN 113 113 28106 1 . ALA 114 114 28106 1 . LYS 115 115 28106 1 . LEU 116 116 28106 1 . ILE 117 117 28106 1 . THR 118 118 28106 1 . GLN 119 119 28106 1 . ARG 120 120 28106 1 . LYS 121 121 28106 1 . PHE 122 122 28106 1 . ASP 123 123 28106 1 . ASN 124 124 28106 1 . LEU 125 125 28106 1 . THR 126 126 28106 1 . LYS 127 127 28106 1 . ALA 128 128 28106 1 . GLU 129 129 28106 1 . ARG 130 130 28106 1 . GLY 131 131 28106 1 . GLY 132 132 28106 1 . LEU 133 133 28106 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 28106 _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 $HNH_domain . 1314 organism . 'Streptococcus pyogenes' 'Streptococcus pyogenes' . . Bacteria . Streptococcus pyogenes . . . . . . . . . . . . . 28106 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 28106 _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 $HNH_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 28106 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28106 _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 'HNH domain' '[U-15N; U-13C; ILV]' . . 1 $HNH_domain . . 1 . . mM . . . . 28106 1 2 Hepes 'natural abundance' . . . . . . 20 . . mM . . . . 28106 1 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 28106 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 28106 _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 'HNH domain' '[U-15N; U-2H; U-13C-all methyl carbons]' . . 1 $HNH_domain . . 0.3 . . mM . . . . 28106 2 2 Hepes 'natural abundance' . . . . . . 20 . . mM . . . . 28106 2 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 28106 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 28106 _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 'HNH domain' '[U-15N; U-2H; U-13C; IL(CD2)V(CG2)]' . . 1 $HNH_domain . . 0.2 . . mM . . . . 28106 3 2 Hepes 'natural abundance' . . . . . . 20 . . mM . . . . 28106 3 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 28106 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 28106 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '20mM Hepes, 200mM NaCl, pH 7.5' 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' 0.2 . M 28106 1 pH 7.5 . pH 28106 1 pressure 1 . atm 28106 1 temperature 298 . K 28106 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28106 _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' . . 28106 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28106 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28106 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 28106 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28106 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 28106 _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 28106 _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 . . . 28106 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 28106 _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 . . . . . . . . . . . . . . . . . 28106 1 2 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28106 1 3 '3D HN(COCA)CB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28106 1 4 '2D 1H-15N TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28106 1 5 '2D 1H-13C SOFAST HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28106 1 6 '3D Hm-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28106 1 7 '3D Cm-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28106 1 8 '2D 1H-15N SOFAST HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28106 1 9 '2D 1H-13C SOFAST HMQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28106 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 28106 _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 na indirect 0.251449530 . . . . . 28106 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 28106 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.1013 . . . . . 28106 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 28106 _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' . . . 28106 1 2 '3D HNCO' . . . 28106 1 3 '3D HN(COCA)CB' . . . 28106 1 4 '2D 1H-15N TROSY' . . . 28106 1 5 '2D 1H-13C SOFAST HMQC' . . . 28106 1 6 '3D Hm-CmHm SOFAST NOESY HMQC' . . . 28106 1 7 '3D Cm-CmHm SOFAST NOESY HMQC' . . . 28106 1 8 '2D 1H-15N SOFAST HMQC' . . . 28106 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 ASN C C 13 175.527 0.000 . 1 . . . . . 1 ASN C . 28106 1 2 . 1 . 1 1 1 ASN CA C 13 53.016 0.000 . 1 . . . . . 1 ASN CA . 28106 1 3 . 1 . 1 2 2 SER H H 1 8.169 0.000 . 1 . . . . . 2 SER H . 28106 1 4 . 1 . 1 2 2 SER C C 13 174.708 0.000 . 1 . . . . . 2 SER C . 28106 1 5 . 1 . 1 2 2 SER CA C 13 58.838 0.000 . 1 . . . . . 2 SER CA . 28106 1 6 . 1 . 1 2 2 SER CB C 13 64.374 0.000 . 1 . . . . . 2 SER CB . 28106 1 7 . 1 . 1 2 2 SER N N 15 116.965 0.000 . 1 . . . . . 2 SER N . 28106 1 8 . 1 . 1 3 3 ARG H H 1 9.069 0.000 . 1 . . . . . 3 ARG H . 28106 1 9 . 1 . 1 3 3 ARG CA C 13 56.757 0.000 . 1 . . . . . 3 ARG CA . 28106 1 10 . 1 . 1 3 3 ARG CB C 13 28.699 0.000 . 1 . . . . . 3 ARG CB . 28106 1 11 . 1 . 1 3 3 ARG N N 15 120.978 0.000 . 1 . . . . . 3 ARG N . 28106 1 12 . 1 . 1 4 4 GLU C C 13 178.841 0.000 . 1 . . . . . 4 GLU C . 28106 1 13 . 1 . 1 4 4 GLU CA C 13 57.714 0.000 . 1 . . . . . 4 GLU CA . 28106 1 14 . 1 . 1 4 4 GLU CB C 13 28.481 0.000 . 1 . . . . . 4 GLU CB . 28106 1 15 . 1 . 1 5 5 ARG H H 1 8.122 0.000 . 1 . . . . . 5 ARG H . 28106 1 16 . 1 . 1 5 5 ARG C C 13 177.521 0.000 . 1 . . . . . 5 ARG C . 28106 1 17 . 1 . 1 5 5 ARG CA C 13 58.918 0.000 . 1 . . . . . 5 ARG CA . 28106 1 18 . 1 . 1 5 5 ARG CB C 13 29.546 0.000 . 1 . . . . . 5 ARG CB . 28106 1 19 . 1 . 1 5 5 ARG N N 15 120.358 0.000 . 1 . . . . . 5 ARG N . 28106 1 20 . 1 . 1 6 6 MET H H 1 7.626 0.000 . 1 . . . . . 6 MET H . 28106 1 21 . 1 . 1 6 6 MET C C 13 177.508 0.000 . 1 . . . . . 6 MET C . 28106 1 22 . 1 . 1 6 6 MET CA C 13 55.871 0.000 . 1 . . . . . 6 MET CA . 28106 1 23 . 1 . 1 6 6 MET CB C 13 32.745 0.000 . 1 . . . . . 6 MET CB . 28106 1 24 . 1 . 1 6 6 MET N N 15 118.478 0.000 . 1 . . . . . 6 MET N . 28106 1 25 . 1 . 1 7 7 LYS H H 1 7.947 0.000 . 1 . . . . . 7 LYS H . 28106 1 26 . 1 . 1 7 7 LYS CA C 13 57.789 0.000 . 1 . . . . . 7 LYS CA . 28106 1 27 . 1 . 1 7 7 LYS CB C 13 31.427 0.000 . 1 . . . . . 7 LYS CB . 28106 1 28 . 1 . 1 7 7 LYS N N 15 119.407 0.000 . 1 . . . . . 7 LYS N . 28106 1 29 . 1 . 1 8 8 ARG C C 13 177.933 0.000 . 1 . . . . . 8 ARG C . 28106 1 30 . 1 . 1 9 9 ILE H H 1 7.882 0.000 . 1 . . . . . 9 ILE H . 28106 1 31 . 1 . 1 9 9 ILE HD11 H 1 0.989 0.000 . 1 . . . . . 9 ILE HD11 . 28106 1 32 . 1 . 1 9 9 ILE HD12 H 1 0.989 0.000 . 1 . . . . . 9 ILE HD12 . 28106 1 33 . 1 . 1 9 9 ILE HD13 H 1 0.989 0.000 . 1 . . . . . 9 ILE HD13 . 28106 1 34 . 1 . 1 9 9 ILE C C 13 177.071 0.000 . 1 . . . . . 9 ILE C . 28106 1 35 . 1 . 1 9 9 ILE CA C 13 62.573 0.000 . 1 . . . . . 9 ILE CA . 28106 1 36 . 1 . 1 9 9 ILE CB C 13 36.982 0.000 . 1 . . . . . 9 ILE CB . 28106 1 37 . 1 . 1 9 9 ILE CD1 C 13 14.022 0.000 . 1 . . . . . 9 ILE CD1 . 28106 1 38 . 1 . 1 9 9 ILE N N 15 124.605 0.000 . 1 . . . . . 9 ILE N . 28106 1 39 . 1 . 1 10 10 GLU H H 1 8.428 0.000 . 1 . . . . . 10 GLU H . 28106 1 40 . 1 . 1 10 10 GLU C C 13 180.286 0.000 . 1 . . . . . 10 GLU C . 28106 1 41 . 1 . 1 10 10 GLU CA C 13 59.112 0.000 . 1 . . . . . 10 GLU CA . 28106 1 42 . 1 . 1 10 10 GLU CB C 13 27.256 0.000 . 1 . . . . . 10 GLU CB . 28106 1 43 . 1 . 1 10 10 GLU N N 15 120.049 0.000 . 1 . . . . . 10 GLU N . 28106 1 44 . 1 . 1 11 11 GLU H H 1 9.070 0.000 . 1 . . . . . 11 GLU H . 28106 1 45 . 1 . 1 11 11 GLU C C 13 179.525 0.000 . 1 . . . . . 11 GLU C . 28106 1 46 . 1 . 1 11 11 GLU CA C 13 57.856 0.000 . 1 . . . . . 11 GLU CA . 28106 1 47 . 1 . 1 11 11 GLU CB C 13 28.594 0.000 . 1 . . . . . 11 GLU CB . 28106 1 48 . 1 . 1 11 11 GLU N N 15 119.078 0.000 . 1 . . . . . 11 GLU N . 28106 1 49 . 1 . 1 12 12 GLY H H 1 8.058 0.000 . 1 . . . . . 12 GLY H . 28106 1 50 . 1 . 1 12 12 GLY C C 13 175.410 0.000 . 1 . . . . . 12 GLY C . 28106 1 51 . 1 . 1 12 12 GLY CA C 13 46.158 0.000 . 1 . . . . . 12 GLY CA . 28106 1 52 . 1 . 1 12 12 GLY N N 15 108.865 0.000 . 1 . . . . . 12 GLY N . 28106 1 53 . 1 . 1 13 13 ILE H H 1 8.979 0.000 . 1 . . . . . 13 ILE H . 28106 1 54 . 1 . 1 13 13 ILE HD11 H 1 1.035 0.000 . 1 . . . . . 13 ILE HD11 . 28106 1 55 . 1 . 1 13 13 ILE HD12 H 1 1.035 0.000 . 1 . . . . . 13 ILE HD12 . 28106 1 56 . 1 . 1 13 13 ILE HD13 H 1 1.035 0.000 . 1 . . . . . 13 ILE HD13 . 28106 1 57 . 1 . 1 13 13 ILE C C 13 179.312 0.000 . 1 . . . . . 13 ILE C . 28106 1 58 . 1 . 1 13 13 ILE CA C 13 61.316 0.000 . 1 . . . . . 13 ILE CA . 28106 1 59 . 1 . 1 13 13 ILE CB C 13 34.516 0.000 . 1 . . . . . 13 ILE CB . 28106 1 60 . 1 . 1 13 13 ILE CD1 C 13 10.578 0.000 . 1 . . . . . 13 ILE CD1 . 28106 1 61 . 1 . 1 13 13 ILE N N 15 122.964 0.000 . 1 . . . . . 13 ILE N . 28106 1 62 . 1 . 1 14 14 LYS H H 1 7.459 0.000 . 1 . . . . . 14 LYS H . 28106 1 63 . 1 . 1 14 14 LYS C C 13 180.255 0.000 . 1 . . . . . 14 LYS C . 28106 1 64 . 1 . 1 14 14 LYS CA C 13 58.073 0.000 . 1 . . . . . 14 LYS CA . 28106 1 65 . 1 . 1 14 14 LYS CB C 13 30.963 0.000 . 1 . . . . . 14 LYS CB . 28106 1 66 . 1 . 1 14 14 LYS N N 15 120.913 0.000 . 1 . . . . . 14 LYS N . 28106 1 67 . 1 . 1 15 15 GLU H H 1 7.701 0.000 . 1 . . . . . 15 GLU H . 28106 1 68 . 1 . 1 15 15 GLU C C 13 178.825 0.000 . 1 . . . . . 15 GLU C . 28106 1 69 . 1 . 1 15 15 GLU CA C 13 57.650 0.000 . 1 . . . . . 15 GLU CA . 28106 1 70 . 1 . 1 15 15 GLU CB C 13 28.267 0.000 . 1 . . . . . 15 GLU CB . 28106 1 71 . 1 . 1 15 15 GLU N N 15 120.940 0.000 . 1 . . . . . 15 GLU N . 28106 1 72 . 1 . 1 16 16 LEU H H 1 7.987 0.000 . 1 . . . . . 16 LEU H . 28106 1 73 . 1 . 1 16 16 LEU HD11 H 1 0.825 0.000 . 1 . . . . . 16 LEU HD11 . 28106 1 74 . 1 . 1 16 16 LEU HD12 H 1 0.825 0.000 . 1 . . . . . 16 LEU HD12 . 28106 1 75 . 1 . 1 16 16 LEU HD13 H 1 0.825 0.000 . 1 . . . . . 16 LEU HD13 . 28106 1 76 . 1 . 1 16 16 LEU HD21 H 1 0.854 0.000 . 1 . . . . . 16 LEU HD21 . 28106 1 77 . 1 . 1 16 16 LEU HD22 H 1 0.854 0.000 . 1 . . . . . 16 LEU HD22 . 28106 1 78 . 1 . 1 16 16 LEU HD23 H 1 0.854 0.000 . 1 . . . . . 16 LEU HD23 . 28106 1 79 . 1 . 1 16 16 LEU C C 13 178.229 0.000 . 1 . . . . . 16 LEU C . 28106 1 80 . 1 . 1 16 16 LEU CA C 13 54.312 0.000 . 1 . . . . . 16 LEU CA . 28106 1 81 . 1 . 1 16 16 LEU CB C 13 42.240 0.000 . 1 . . . . . 16 LEU CB . 28106 1 82 . 1 . 1 16 16 LEU CD1 C 13 25.564 0.000 . 1 . . . . . 16 LEU CD1 . 28106 1 83 . 1 . 1 16 16 LEU CD2 C 13 23.378 0.000 . 1 . . . . . 16 LEU CD2 . 28106 1 84 . 1 . 1 16 16 LEU N N 15 116.845 0.000 . 1 . . . . . 16 LEU N . 28106 1 85 . 1 . 1 17 17 GLY H H 1 7.960 0.000 . 1 . . . . . 17 GLY H . 28106 1 86 . 1 . 1 17 17 GLY C C 13 175.076 0.000 . 1 . . . . . 17 GLY C . 28106 1 87 . 1 . 1 17 17 GLY CA C 13 44.493 0.000 . 1 . . . . . 17 GLY CA . 28106 1 88 . 1 . 1 17 17 GLY N N 15 108.722 0.000 . 1 . . . . . 17 GLY N . 28106 1 89 . 1 . 1 18 18 SER H H 1 7.222 0.000 . 1 . . . . . 18 SER H . 28106 1 90 . 1 . 1 18 18 SER CA C 13 54.440 0.000 . 1 . . . . . 18 SER CA . 28106 1 91 . 1 . 1 18 18 SER CB C 13 62.591 0.000 . 1 . . . . . 18 SER CB . 28106 1 92 . 1 . 1 18 18 SER N N 15 111.851 0.000 . 1 . . . . . 18 SER N . 28106 1 93 . 1 . 1 19 19 GLN C C 13 177.780 0.000 . 1 . . . . . 19 GLN C . 28106 1 94 . 1 . 1 20 20 ILE H H 1 8.240 0.000 . 1 . . . . . 20 ILE H . 28106 1 95 . 1 . 1 20 20 ILE HD11 H 1 0.674 0.000 . 1 . . . . . 20 ILE HD11 . 28106 1 96 . 1 . 1 20 20 ILE HD12 H 1 0.674 0.000 . 1 . . . . . 20 ILE HD12 . 28106 1 97 . 1 . 1 20 20 ILE HD13 H 1 0.674 0.000 . 1 . . . . . 20 ILE HD13 . 28106 1 98 . 1 . 1 20 20 ILE C C 13 175.818 0.000 . 1 . . . . . 20 ILE C . 28106 1 99 . 1 . 1 20 20 ILE CA C 13 64.490 0.000 . 1 . . . . . 20 ILE CA . 28106 1 100 . 1 . 1 20 20 ILE CB C 13 37.736 0.000 . 1 . . . . . 20 ILE CB . 28106 1 101 . 1 . 1 20 20 ILE CD1 C 13 13.906 0.000 . 1 . . . . . 20 ILE CD1 . 28106 1 102 . 1 . 1 20 20 ILE N N 15 122.262 0.000 . 1 . . . . . 20 ILE N . 28106 1 103 . 1 . 1 21 21 LEU H H 1 8.034 0.000 . 1 . . . . . 21 LEU H . 28106 1 104 . 1 . 1 21 21 LEU HD11 H 1 0.963 0.000 . 1 . . . . . 21 LEU HD11 . 28106 1 105 . 1 . 1 21 21 LEU HD12 H 1 0.963 0.000 . 1 . . . . . 21 LEU HD12 . 28106 1 106 . 1 . 1 21 21 LEU HD13 H 1 0.963 0.000 . 1 . . . . . 21 LEU HD13 . 28106 1 107 . 1 . 1 21 21 LEU HD21 H 1 0.833 0.000 . 1 . . . . . 21 LEU HD21 . 28106 1 108 . 1 . 1 21 21 LEU HD22 H 1 0.833 0.000 . 1 . . . . . 21 LEU HD22 . 28106 1 109 . 1 . 1 21 21 LEU HD23 H 1 0.833 0.000 . 1 . . . . . 21 LEU HD23 . 28106 1 110 . 1 . 1 21 21 LEU C C 13 178.985 0.000 . 1 . . . . . 21 LEU C . 28106 1 111 . 1 . 1 21 21 LEU CA C 13 54.755 0.000 . 1 . . . . . 21 LEU CA . 28106 1 112 . 1 . 1 21 21 LEU CB C 13 40.078 0.000 . 1 . . . . . 21 LEU CB . 28106 1 113 . 1 . 1 21 21 LEU CD1 C 13 25.664 0.000 . 1 . . . . . 21 LEU CD1 . 28106 1 114 . 1 . 1 21 21 LEU CD2 C 13 23.654 0.000 . 1 . . . . . 21 LEU CD2 . 28106 1 115 . 1 . 1 21 21 LEU N N 15 119.932 0.000 . 1 . . . . . 21 LEU N . 28106 1 116 . 1 . 1 22 22 LYS H H 1 7.386 0.000 . 1 . . . . . 22 LYS H . 28106 1 117 . 1 . 1 22 22 LYS C C 13 178.713 0.000 . 1 . . . . . 22 LYS C . 28106 1 118 . 1 . 1 22 22 LYS CA C 13 56.292 0.000 . 1 . . . . . 22 LYS CA . 28106 1 119 . 1 . 1 22 22 LYS CB C 13 31.251 0.000 . 1 . . . . . 22 LYS CB . 28106 1 120 . 1 . 1 22 22 LYS N N 15 119.786 0.000 . 1 . . . . . 22 LYS N . 28106 1 121 . 1 . 1 23 23 GLU H H 1 7.811 0.000 . 1 . . . . . 23 GLU H . 28106 1 122 . 1 . 1 23 23 GLU C C 13 176.854 0.000 . 1 . . . . . 23 GLU C . 28106 1 123 . 1 . 1 23 23 GLU CA C 13 56.773 0.000 . 1 . . . . . 23 GLU CA . 28106 1 124 . 1 . 1 23 23 GLU CB C 13 29.815 0.000 . 1 . . . . . 23 GLU CB . 28106 1 125 . 1 . 1 23 23 GLU N N 15 118.034 0.000 . 1 . . . . . 23 GLU N . 28106 1 126 . 1 . 1 24 24 HIS H H 1 8.148 0.000 . 1 . . . . . 24 HIS H . 28106 1 127 . 1 . 1 24 24 HIS CA C 13 50.934 0.000 . 1 . . . . . 24 HIS CA . 28106 1 128 . 1 . 1 24 24 HIS CB C 13 29.056 0.000 . 1 . . . . . 24 HIS CB . 28106 1 129 . 1 . 1 24 24 HIS N N 15 115.407 0.000 . 1 . . . . . 24 HIS N . 28106 1 130 . 1 . 1 25 25 PRO C C 13 175.961 0.000 . 1 . . . . . 25 PRO C . 28106 1 131 . 1 . 1 25 25 PRO CA C 13 62.707 0.000 . 1 . . . . . 25 PRO CA . 28106 1 132 . 1 . 1 25 25 PRO CB C 13 31.284 0.000 . 1 . . . . . 25 PRO CB . 28106 1 133 . 1 . 1 26 26 VAL H H 1 8.137 0.000 . 1 . . . . . 26 VAL H . 28106 1 134 . 1 . 1 26 26 VAL HG11 H 1 0.299 0.000 . 1 . . . . . 26 VAL HG11 . 28106 1 135 . 1 . 1 26 26 VAL HG12 H 1 0.299 0.000 . 1 . . . . . 26 VAL HG12 . 28106 1 136 . 1 . 1 26 26 VAL HG13 H 1 0.299 0.000 . 1 . . . . . 26 VAL HG13 . 28106 1 137 . 1 . 1 26 26 VAL HG21 H 1 1.014 0.000 . 1 . . . . . 26 VAL HG21 . 28106 1 138 . 1 . 1 26 26 VAL HG22 H 1 1.014 0.000 . 1 . . . . . 26 VAL HG22 . 28106 1 139 . 1 . 1 26 26 VAL HG23 H 1 1.014 0.000 . 1 . . . . . 26 VAL HG23 . 28106 1 140 . 1 . 1 26 26 VAL C C 13 172.056 0.000 . 1 . . . . . 26 VAL C . 28106 1 141 . 1 . 1 26 26 VAL CA C 13 58.396 0.000 . 1 . . . . . 26 VAL CA . 28106 1 142 . 1 . 1 26 26 VAL CB C 13 34.677 0.000 . 1 . . . . . 26 VAL CB . 28106 1 143 . 1 . 1 26 26 VAL CG1 C 13 18.407 0.000 . 1 . . . . . 26 VAL CG1 . 28106 1 144 . 1 . 1 26 26 VAL CG2 C 13 22.653 0.000 . 1 . . . . . 26 VAL CG2 . 28106 1 145 . 1 . 1 26 26 VAL N N 15 121.981 0.000 . 1 . . . . . 26 VAL N . 28106 1 146 . 1 . 1 27 27 GLU H H 1 7.975 0.000 . 1 . . . . . 27 GLU H . 28106 1 147 . 1 . 1 27 27 GLU CA C 13 53.178 0.000 . 1 . . . . . 27 GLU CA . 28106 1 148 . 1 . 1 27 27 GLU CB C 13 31.225 0.000 . 1 . . . . . 27 GLU CB . 28106 1 149 . 1 . 1 27 27 GLU N N 15 123.617 0.000 . 1 . . . . . 27 GLU N . 28106 1 150 . 1 . 1 29 29 THR C C 13 177.439 0.000 . 1 . . . . . 29 THR C . 28106 1 151 . 1 . 1 30 30 GLN H H 1 7.652 0.000 . 1 . . . . . 30 GLN H . 28106 1 152 . 1 . 1 30 30 GLN C C 13 178.210 0.000 . 1 . . . . . 30 GLN C . 28106 1 153 . 1 . 1 30 30 GLN CA C 13 56.522 0.000 . 1 . . . . . 30 GLN CA . 28106 1 154 . 1 . 1 30 30 GLN CB C 13 28.463 0.000 . 1 . . . . . 30 GLN CB . 28106 1 155 . 1 . 1 30 30 GLN N N 15 119.836 0.000 . 1 . . . . . 30 GLN N . 28106 1 156 . 1 . 1 31 31 LEU H H 1 7.356 0.000 . 1 . . . . . 31 LEU H . 28106 1 157 . 1 . 1 31 31 LEU HD11 H 1 0.900 0.000 . 1 . . . . . 31 LEU HD11 . 28106 1 158 . 1 . 1 31 31 LEU HD12 H 1 0.900 0.000 . 1 . . . . . 31 LEU HD12 . 28106 1 159 . 1 . 1 31 31 LEU HD13 H 1 0.900 0.000 . 1 . . . . . 31 LEU HD13 . 28106 1 160 . 1 . 1 31 31 LEU HD21 H 1 0.877 0.000 . 1 . . . . . 31 LEU HD21 . 28106 1 161 . 1 . 1 31 31 LEU HD22 H 1 0.877 0.000 . 1 . . . . . 31 LEU HD22 . 28106 1 162 . 1 . 1 31 31 LEU HD23 H 1 0.877 0.000 . 1 . . . . . 31 LEU HD23 . 28106 1 163 . 1 . 1 31 31 LEU C C 13 175.171 0.000 . 1 . . . . . 31 LEU C . 28106 1 164 . 1 . 1 31 31 LEU CA C 13 53.767 0.000 . 1 . . . . . 31 LEU CA . 28106 1 165 . 1 . 1 31 31 LEU CB C 13 39.505 0.000 . 1 . . . . . 31 LEU CB . 28106 1 166 . 1 . 1 31 31 LEU CD1 C 13 26.926 0.000 . 1 . . . . . 31 LEU CD1 . 28106 1 167 . 1 . 1 31 31 LEU CD2 C 13 22.687 0.009 . 1 . . . . . 31 LEU CD2 . 28106 1 168 . 1 . 1 31 31 LEU N N 15 115.363 0.000 . 1 . . . . . 31 LEU N . 28106 1 169 . 1 . 1 32 32 GLN H H 1 7.046 0.000 . 1 . . . . . 32 GLN H . 28106 1 170 . 1 . 1 32 32 GLN C C 13 176.162 0.000 . 1 . . . . . 32 GLN C . 28106 1 171 . 1 . 1 32 32 GLN CA C 13 55.497 0.000 . 1 . . . . . 32 GLN CA . 28106 1 172 . 1 . 1 32 32 GLN CB C 13 27.698 0.000 . 1 . . . . . 32 GLN CB . 28106 1 173 . 1 . 1 32 32 GLN N N 15 115.409 0.000 . 1 . . . . . 32 GLN N . 28106 1 174 . 1 . 1 33 33 ASN H H 1 7.258 0.000 . 1 . . . . . 33 ASN H . 28106 1 175 . 1 . 1 33 33 ASN C C 13 174.297 0.000 . 1 . . . . . 33 ASN C . 28106 1 176 . 1 . 1 33 33 ASN CA C 13 51.977 0.000 . 1 . . . . . 33 ASN CA . 28106 1 177 . 1 . 1 33 33 ASN CB C 13 38.839 0.000 . 1 . . . . . 33 ASN CB . 28106 1 178 . 1 . 1 33 33 ASN N N 15 118.868 0.000 . 1 . . . . . 33 ASN N . 28106 1 179 . 1 . 1 34 34 GLU H H 1 8.780 0.000 . 1 . . . . . 34 GLU H . 28106 1 180 . 1 . 1 34 34 GLU C C 13 177.305 0.000 . 1 . . . . . 34 GLU C . 28106 1 181 . 1 . 1 34 34 GLU CA C 13 59.333 0.000 . 1 . . . . . 34 GLU CA . 28106 1 182 . 1 . 1 34 34 GLU CB C 13 30.054 0.000 . 1 . . . . . 34 GLU CB . 28106 1 183 . 1 . 1 34 34 GLU N N 15 129.115 0.000 . 1 . . . . . 34 GLU N . 28106 1 184 . 1 . 1 35 35 LYS H H 1 7.869 0.000 . 1 . . . . . 35 LYS H . 28106 1 185 . 1 . 1 35 35 LYS C C 13 177.460 0.000 . 1 . . . . . 35 LYS C . 28106 1 186 . 1 . 1 35 35 LYS CA C 13 59.989 0.000 . 1 . . . . . 35 LYS CA . 28106 1 187 . 1 . 1 35 35 LYS CB C 13 32.445 0.000 . 1 . . . . . 35 LYS CB . 28106 1 188 . 1 . 1 35 35 LYS N N 15 115.575 0.000 . 1 . . . . . 35 LYS N . 28106 1 189 . 1 . 1 36 36 LEU H H 1 7.644 0.000 . 1 . . . . . 36 LEU H . 28106 1 190 . 1 . 1 36 36 LEU HD11 H 1 0.944 0.000 . 1 . . . . . 36 LEU HD11 . 28106 1 191 . 1 . 1 36 36 LEU HD12 H 1 0.944 0.000 . 1 . . . . . 36 LEU HD12 . 28106 1 192 . 1 . 1 36 36 LEU HD13 H 1 0.944 0.000 . 1 . . . . . 36 LEU HD13 . 28106 1 193 . 1 . 1 36 36 LEU HD21 H 1 1.051 0.000 . 1 . . . . . 36 LEU HD21 . 28106 1 194 . 1 . 1 36 36 LEU HD22 H 1 1.051 0.000 . 1 . . . . . 36 LEU HD22 . 28106 1 195 . 1 . 1 36 36 LEU HD23 H 1 1.051 0.000 . 1 . . . . . 36 LEU HD23 . 28106 1 196 . 1 . 1 36 36 LEU C C 13 178.304 0.000 . 1 . . . . . 36 LEU C . 28106 1 197 . 1 . 1 36 36 LEU CA C 13 55.673 0.000 . 1 . . . . . 36 LEU CA . 28106 1 198 . 1 . 1 36 36 LEU CB C 13 41.266 0.000 . 1 . . . . . 36 LEU CB . 28106 1 199 . 1 . 1 36 36 LEU CD1 C 13 24.213 0.000 . 1 . . . . . 36 LEU CD1 . 28106 1 200 . 1 . 1 36 36 LEU CD2 C 13 26.532 0.000 . 1 . . . . . 36 LEU CD2 . 28106 1 201 . 1 . 1 36 36 LEU N N 15 119.846 0.000 . 1 . . . . . 36 LEU N . 28106 1 202 . 1 . 1 37 37 TYR H H 1 8.430 0.000 . 1 . . . . . 37 TYR H . 28106 1 203 . 1 . 1 37 37 TYR C C 13 177.639 0.000 . 1 . . . . . 37 TYR C . 28106 1 204 . 1 . 1 37 37 TYR CA C 13 57.906 0.000 . 1 . . . . . 37 TYR CA . 28106 1 205 . 1 . 1 37 37 TYR CB C 13 37.023 0.000 . 1 . . . . . 37 TYR CB . 28106 1 206 . 1 . 1 37 37 TYR N N 15 117.902 0.000 . 1 . . . . . 37 TYR N . 28106 1 207 . 1 . 1 38 38 LEU H H 1 8.201 0.000 . 1 . . . . . 38 LEU H . 28106 1 208 . 1 . 1 38 38 LEU HD11 H 1 0.697 0.000 . 1 . . . . . 38 LEU HD11 . 28106 1 209 . 1 . 1 38 38 LEU HD12 H 1 0.697 0.000 . 1 . . . . . 38 LEU HD12 . 28106 1 210 . 1 . 1 38 38 LEU HD13 H 1 0.697 0.000 . 1 . . . . . 38 LEU HD13 . 28106 1 211 . 1 . 1 38 38 LEU HD21 H 1 0.795 0.000 . 1 . . . . . 38 LEU HD21 . 28106 1 212 . 1 . 1 38 38 LEU HD22 H 1 0.795 0.000 . 1 . . . . . 38 LEU HD22 . 28106 1 213 . 1 . 1 38 38 LEU HD23 H 1 0.795 0.000 . 1 . . . . . 38 LEU HD23 . 28106 1 214 . 1 . 1 38 38 LEU C C 13 177.384 0.000 . 1 . . . . . 38 LEU C . 28106 1 215 . 1 . 1 38 38 LEU CA C 13 56.808 0.000 . 1 . . . . . 38 LEU CA . 28106 1 216 . 1 . 1 38 38 LEU CB C 13 42.200 0.000 . 1 . . . . . 38 LEU CB . 28106 1 217 . 1 . 1 38 38 LEU CD1 C 13 27.504 0.000 . 1 . . . . . 38 LEU CD1 . 28106 1 218 . 1 . 1 38 38 LEU CD2 C 13 23.873 0.000 . 1 . . . . . 38 LEU CD2 . 28106 1 219 . 1 . 1 38 38 LEU N N 15 116.722 0.000 . 1 . . . . . 38 LEU N . 28106 1 220 . 1 . 1 39 39 TYR H H 1 8.092 0.000 . 1 . . . . . 39 TYR H . 28106 1 221 . 1 . 1 39 39 TYR C C 13 177.227 0.000 . 1 . . . . . 39 TYR C . 28106 1 222 . 1 . 1 39 39 TYR CA C 13 61.617 0.000 . 1 . . . . . 39 TYR CA . 28106 1 223 . 1 . 1 39 39 TYR CB C 13 36.642 0.000 . 1 . . . . . 39 TYR CB . 28106 1 224 . 1 . 1 39 39 TYR N N 15 118.851 0.000 . 1 . . . . . 39 TYR N . 28106 1 225 . 1 . 1 40 40 TYR H H 1 7.756 0.000 . 1 . . . . . 40 TYR H . 28106 1 226 . 1 . 1 40 40 TYR C C 13 179.186 0.000 . 1 . . . . . 40 TYR C . 28106 1 227 . 1 . 1 40 40 TYR CA C 13 62.895 0.000 . 1 . . . . . 40 TYR CA . 28106 1 228 . 1 . 1 40 40 TYR CB C 13 38.931 0.000 . 1 . . . . . 40 TYR CB . 28106 1 229 . 1 . 1 40 40 TYR N N 15 117.942 0.000 . 1 . . . . . 40 TYR N . 28106 1 230 . 1 . 1 41 41 LEU H H 1 8.614 0.000 . 1 . . . . . 41 LEU H . 28106 1 231 . 1 . 1 41 41 LEU HD11 H 1 0.172 0.000 . 1 . . . . . 41 LEU HD11 . 28106 1 232 . 1 . 1 41 41 LEU HD12 H 1 0.172 0.000 . 1 . . . . . 41 LEU HD12 . 28106 1 233 . 1 . 1 41 41 LEU HD13 H 1 0.172 0.000 . 1 . . . . . 41 LEU HD13 . 28106 1 234 . 1 . 1 41 41 LEU HD21 H 1 0.806 0.000 . 1 . . . . . 41 LEU HD21 . 28106 1 235 . 1 . 1 41 41 LEU HD22 H 1 0.806 0.000 . 1 . . . . . 41 LEU HD22 . 28106 1 236 . 1 . 1 41 41 LEU HD23 H 1 0.806 0.000 . 1 . . . . . 41 LEU HD23 . 28106 1 237 . 1 . 1 41 41 LEU C C 13 177.242 0.000 . 1 . . . . . 41 LEU C . 28106 1 238 . 1 . 1 41 41 LEU CA C 13 56.138 0.000 . 1 . . . . . 41 LEU CA . 28106 1 239 . 1 . 1 41 41 LEU CB C 13 41.156 0.000 . 1 . . . . . 41 LEU CB . 28106 1 240 . 1 . 1 41 41 LEU CD1 C 13 25.058 0.000 . 1 . . . . . 41 LEU CD1 . 28106 1 241 . 1 . 1 41 41 LEU CD2 C 13 22.642 0.000 . 1 . . . . . 41 LEU CD2 . 28106 1 242 . 1 . 1 41 41 LEU N N 15 120.495 0.000 . 1 . . . . . 41 LEU N . 28106 1 243 . 1 . 1 42 42 GLN H H 1 7.217 0.000 . 1 . . . . . 42 GLN H . 28106 1 244 . 1 . 1 42 42 GLN C C 13 178.384 0.000 . 1 . . . . . 42 GLN C . 28106 1 245 . 1 . 1 42 42 GLN CA C 13 53.135 0.000 . 1 . . . . . 42 GLN CA . 28106 1 246 . 1 . 1 42 42 GLN CB C 13 26.349 0.000 . 1 . . . . . 42 GLN CB . 28106 1 247 . 1 . 1 42 42 GLN N N 15 111.245 0.000 . 1 . . . . . 42 GLN N . 28106 1 248 . 1 . 1 43 43 ASN H H 1 8.724 0.000 . 1 . . . . . 43 ASN H . 28106 1 249 . 1 . 1 43 43 ASN C C 13 174.761 0.000 . 1 . . . . . 43 ASN C . 28106 1 250 . 1 . 1 43 43 ASN CA C 13 52.490 0.000 . 1 . . . . . 43 ASN CA . 28106 1 251 . 1 . 1 43 43 ASN CB C 13 37.415 0.000 . 1 . . . . . 43 ASN CB . 28106 1 252 . 1 . 1 43 43 ASN N N 15 123.069 0.000 . 1 . . . . . 43 ASN N . 28106 1 253 . 1 . 1 44 44 GLY H H 1 8.313 0.000 . 1 . . . . . 44 GLY H . 28106 1 254 . 1 . 1 44 44 GLY C C 13 173.273 0.000 . 1 . . . . . 44 GLY C . 28106 1 255 . 1 . 1 44 44 GLY CA C 13 43.773 0.000 . 1 . . . . . 44 GLY CA . 28106 1 256 . 1 . 1 44 44 GLY N N 15 102.210 0.000 . 1 . . . . . 44 GLY N . 28106 1 257 . 1 . 1 45 45 ARG H H 1 6.851 0.000 . 1 . . . . . 45 ARG H . 28106 1 258 . 1 . 1 45 45 ARG C C 13 173.588 0.000 . 1 . . . . . 45 ARG C . 28106 1 259 . 1 . 1 45 45 ARG CA C 13 52.893 0.000 . 1 . . . . . 45 ARG CA . 28106 1 260 . 1 . 1 45 45 ARG CB C 13 31.956 0.000 . 1 . . . . . 45 ARG CB . 28106 1 261 . 1 . 1 45 45 ARG N N 15 117.217 0.000 . 1 . . . . . 45 ARG N . 28106 1 262 . 1 . 1 46 46 ASP H H 1 7.964 0.000 . 1 . . . . . 46 ASP H . 28106 1 263 . 1 . 1 46 46 ASP C C 13 174.709 0.000 . 1 . . . . . 46 ASP C . 28106 1 264 . 1 . 1 46 46 ASP CA C 13 52.819 0.000 . 1 . . . . . 46 ASP CA . 28106 1 265 . 1 . 1 46 46 ASP CB C 13 42.128 0.000 . 1 . . . . . 46 ASP CB . 28106 1 266 . 1 . 1 46 46 ASP N N 15 120.743 0.000 . 1 . . . . . 46 ASP N . 28106 1 267 . 1 . 1 47 47 MET H H 1 6.815 0.000 . 1 . . . . . 47 MET H . 28106 1 268 . 1 . 1 47 47 MET C C 13 177.568 0.000 . 1 . . . . . 47 MET C . 28106 1 269 . 1 . 1 47 47 MET CA C 13 54.339 0.000 . 1 . . . . . 47 MET CA . 28106 1 270 . 1 . 1 47 47 MET CB C 13 33.432 0.000 . 1 . . . . . 47 MET CB . 28106 1 271 . 1 . 1 47 47 MET N N 15 120.302 0.000 . 1 . . . . . 47 MET N . 28106 1 272 . 1 . 1 48 48 TYR H H 1 8.927 0.000 . 1 . . . . . 48 TYR H . 28106 1 273 . 1 . 1 48 48 TYR C C 13 174.247 0.000 . 1 . . . . . 48 TYR C . 28106 1 274 . 1 . 1 48 48 TYR CA C 13 52.693 0.000 . 1 . . . . . 48 TYR CA . 28106 1 275 . 1 . 1 48 48 TYR CB C 13 39.427 0.000 . 1 . . . . . 48 TYR CB . 28106 1 276 . 1 . 1 48 48 TYR N N 15 115.442 0.000 . 1 . . . . . 48 TYR N . 28106 1 277 . 1 . 1 49 49 VAL H H 1 7.096 0.000 . 1 . . . . . 49 VAL H . 28106 1 278 . 1 . 1 49 49 VAL HG11 H 1 0.815 0.000 . 1 . . . . . 49 VAL HG11 . 28106 1 279 . 1 . 1 49 49 VAL HG12 H 1 0.815 0.000 . 1 . . . . . 49 VAL HG12 . 28106 1 280 . 1 . 1 49 49 VAL HG13 H 1 0.815 0.000 . 1 . . . . . 49 VAL HG13 . 28106 1 281 . 1 . 1 49 49 VAL HG21 H 1 0.881 0.000 . 1 . . . . . 49 VAL HG21 . 28106 1 282 . 1 . 1 49 49 VAL HG22 H 1 0.881 0.000 . 1 . . . . . 49 VAL HG22 . 28106 1 283 . 1 . 1 49 49 VAL HG23 H 1 0.881 0.000 . 1 . . . . . 49 VAL HG23 . 28106 1 284 . 1 . 1 49 49 VAL CA C 13 58.886 0.000 . 1 . . . . . 49 VAL CA . 28106 1 285 . 1 . 1 49 49 VAL CB C 13 35.699 0.000 . 1 . . . . . 49 VAL CB . 28106 1 286 . 1 . 1 49 49 VAL CG1 C 13 21.537 0.000 . 1 . . . . . 49 VAL CG1 . 28106 1 287 . 1 . 1 49 49 VAL CG2 C 13 21.214 0.000 . 1 . . . . . 49 VAL CG2 . 28106 1 288 . 1 . 1 49 49 VAL N N 15 116.551 0.000 . 1 . . . . . 49 VAL N . 28106 1 289 . 1 . 1 53 53 LEU HD11 H 1 0.369 0.000 . 1 . . . . . 53 LEU HD11 . 28106 1 290 . 1 . 1 53 53 LEU HD12 H 1 0.369 0.000 . 1 . . . . . 53 LEU HD12 . 28106 1 291 . 1 . 1 53 53 LEU HD13 H 1 0.369 0.000 . 1 . . . . . 53 LEU HD13 . 28106 1 292 . 1 . 1 53 53 LEU HD21 H 1 0.111 0.000 . 1 . . . . . 53 LEU HD21 . 28106 1 293 . 1 . 1 53 53 LEU HD22 H 1 0.111 0.000 . 1 . . . . . 53 LEU HD22 . 28106 1 294 . 1 . 1 53 53 LEU HD23 H 1 0.111 0.000 . 1 . . . . . 53 LEU HD23 . 28106 1 295 . 1 . 1 53 53 LEU C C 13 174.636 0.000 . 1 . . . . . 53 LEU C . 28106 1 296 . 1 . 1 53 53 LEU CD1 C 13 26.502 0.000 . 1 . . . . . 53 LEU CD1 . 28106 1 297 . 1 . 1 53 53 LEU CD2 C 13 21.279 0.000 . 1 . . . . . 53 LEU CD2 . 28106 1 298 . 1 . 1 54 54 ASP H H 1 8.490 0.000 . 1 . . . . . 54 ASP H . 28106 1 299 . 1 . 1 54 54 ASP C C 13 177.126 0.000 . 1 . . . . . 54 ASP C . 28106 1 300 . 1 . 1 54 54 ASP CA C 13 51.458 0.000 . 1 . . . . . 54 ASP CA . 28106 1 301 . 1 . 1 54 54 ASP CB C 13 41.069 0.000 . 1 . . . . . 54 ASP CB . 28106 1 302 . 1 . 1 54 54 ASP N N 15 123.384 0.000 . 1 . . . . . 54 ASP N . 28106 1 303 . 1 . 1 55 55 ILE H H 1 8.322 0.000 . 1 . . . . . 55 ILE H . 28106 1 304 . 1 . 1 55 55 ILE HD11 H 1 0.276 0.000 . 1 . . . . . 55 ILE HD11 . 28106 1 305 . 1 . 1 55 55 ILE HD12 H 1 0.276 0.000 . 1 . . . . . 55 ILE HD12 . 28106 1 306 . 1 . 1 55 55 ILE HD13 H 1 0.276 0.000 . 1 . . . . . 55 ILE HD13 . 28106 1 307 . 1 . 1 55 55 ILE C C 13 175.171 0.000 . 1 . . . . . 55 ILE C . 28106 1 308 . 1 . 1 55 55 ILE CA C 13 62.459 0.000 . 1 . . . . . 55 ILE CA . 28106 1 309 . 1 . 1 55 55 ILE CB C 13 36.970 0.000 . 1 . . . . . 55 ILE CB . 28106 1 310 . 1 . 1 55 55 ILE CD1 C 13 14.198 0.000 . 1 . . . . . 55 ILE CD1 . 28106 1 311 . 1 . 1 55 55 ILE N N 15 129.232 0.000 . 1 . . . . . 55 ILE N . 28106 1 312 . 1 . 1 56 56 ASN H H 1 8.380 0.000 . 1 . . . . . 56 ASN H . 28106 1 313 . 1 . 1 56 56 ASN C C 13 176.091 0.000 . 1 . . . . . 56 ASN C . 28106 1 314 . 1 . 1 56 56 ASN CA C 13 52.840 0.000 . 1 . . . . . 56 ASN CA . 28106 1 315 . 1 . 1 56 56 ASN CB C 13 38.321 0.000 . 1 . . . . . 56 ASN CB . 28106 1 316 . 1 . 1 56 56 ASN N N 15 117.537 0.000 . 1 . . . . . 56 ASN N . 28106 1 317 . 1 . 1 57 57 ARG H H 1 7.834 0.000 . 1 . . . . . 57 ARG H . 28106 1 318 . 1 . 1 57 57 ARG CA C 13 59.613 0.000 . 1 . . . . . 57 ARG CA . 28106 1 319 . 1 . 1 57 57 ARG CB C 13 28.623 0.000 . 1 . . . . . 57 ARG CB . 28106 1 320 . 1 . 1 57 57 ARG N N 15 119.849 0.000 . 1 . . . . . 57 ARG N . 28106 1 321 . 1 . 1 58 58 LEU HD11 H 1 0.732 0.000 . 1 . . . . . 58 LEU HD11 . 28106 1 322 . 1 . 1 58 58 LEU HD12 H 1 0.732 0.000 . 1 . . . . . 58 LEU HD12 . 28106 1 323 . 1 . 1 58 58 LEU HD13 H 1 0.732 0.000 . 1 . . . . . 58 LEU HD13 . 28106 1 324 . 1 . 1 58 58 LEU HD21 H 1 0.790 0.000 . 1 . . . . . 58 LEU HD21 . 28106 1 325 . 1 . 1 58 58 LEU HD22 H 1 0.790 0.000 . 1 . . . . . 58 LEU HD22 . 28106 1 326 . 1 . 1 58 58 LEU HD23 H 1 0.790 0.000 . 1 . . . . . 58 LEU HD23 . 28106 1 327 . 1 . 1 58 58 LEU CD1 C 13 25.606 0.000 . 1 . . . . . 58 LEU CD1 . 28106 1 328 . 1 . 1 58 58 LEU CD2 C 13 23.582 0.000 . 1 . . . . . 58 LEU CD2 . 28106 1 329 . 1 . 1 62 62 ASP C C 13 175.327 0.000 . 1 . . . . . 62 ASP C . 28106 1 330 . 1 . 1 63 63 VAL H H 1 8.399 0.000 . 1 . . . . . 63 VAL H . 28106 1 331 . 1 . 1 63 63 VAL HG11 H 1 0.670 0.000 . 1 . . . . . 63 VAL HG11 . 28106 1 332 . 1 . 1 63 63 VAL HG12 H 1 0.670 0.000 . 1 . . . . . 63 VAL HG12 . 28106 1 333 . 1 . 1 63 63 VAL HG13 H 1 0.670 0.000 . 1 . . . . . 63 VAL HG13 . 28106 1 334 . 1 . 1 63 63 VAL HG21 H 1 0.918 0.000 . 1 . . . . . 63 VAL HG21 . 28106 1 335 . 1 . 1 63 63 VAL HG22 H 1 0.918 0.000 . 1 . . . . . 63 VAL HG22 . 28106 1 336 . 1 . 1 63 63 VAL HG23 H 1 0.918 0.000 . 1 . . . . . 63 VAL HG23 . 28106 1 337 . 1 . 1 63 63 VAL C C 13 175.427 0.000 . 1 . . . . . 63 VAL C . 28106 1 338 . 1 . 1 63 63 VAL CA C 13 60.336 0.000 . 1 . . . . . 63 VAL CA . 28106 1 339 . 1 . 1 63 63 VAL CB C 13 30.416 0.000 . 1 . . . . . 63 VAL CB . 28106 1 340 . 1 . 1 63 63 VAL CG1 C 13 21.105 0.000 . 1 . . . . . 63 VAL CG1 . 28106 1 341 . 1 . 1 63 63 VAL CG2 C 13 22.902 0.000 . 1 . . . . . 63 VAL CG2 . 28106 1 342 . 1 . 1 63 63 VAL N N 15 121.657 0.000 . 1 . . . . . 63 VAL N . 28106 1 343 . 1 . 1 64 64 ASP H H 1 9.014 0.000 . 1 . . . . . 64 ASP H . 28106 1 344 . 1 . 1 64 64 ASP CA C 13 51.451 0.000 . 1 . . . . . 64 ASP CA . 28106 1 345 . 1 . 1 64 64 ASP CB C 13 44.968 0.000 . 1 . . . . . 64 ASP CB . 28106 1 346 . 1 . 1 64 64 ASP N N 15 129.572 0.000 . 1 . . . . . 64 ASP N . 28106 1 347 . 1 . 1 66 66 ILE HD11 H 1 0.720 0.000 . 1 . . . . . 66 ILE HD11 . 28106 1 348 . 1 . 1 66 66 ILE HD12 H 1 0.720 0.000 . 1 . . . . . 66 ILE HD12 . 28106 1 349 . 1 . 1 66 66 ILE HD13 H 1 0.720 0.000 . 1 . . . . . 66 ILE HD13 . 28106 1 350 . 1 . 1 66 66 ILE CD1 C 13 15.596 0.000 . 1 . . . . . 66 ILE CD1 . 28106 1 351 . 1 . 1 67 67 VAL HG11 H 1 1.040 0.000 . 1 . . . . . 67 VAL HG11 . 28106 1 352 . 1 . 1 67 67 VAL HG12 H 1 1.040 0.000 . 1 . . . . . 67 VAL HG12 . 28106 1 353 . 1 . 1 67 67 VAL HG13 H 1 1.040 0.000 . 1 . . . . . 67 VAL HG13 . 28106 1 354 . 1 . 1 67 67 VAL HG21 H 1 0.831 0.003 . 1 . . . . . 67 VAL HG21 . 28106 1 355 . 1 . 1 67 67 VAL HG22 H 1 0.831 0.003 . 1 . . . . . 67 VAL HG22 . 28106 1 356 . 1 . 1 67 67 VAL HG23 H 1 0.831 0.003 . 1 . . . . . 67 VAL HG23 . 28106 1 357 . 1 . 1 67 67 VAL CG1 C 13 22.486 0.000 . 1 . . . . . 67 VAL CG1 . 28106 1 358 . 1 . 1 67 67 VAL CG2 C 13 20.736 0.000 . 1 . . . . . 67 VAL CG2 . 28106 1 359 . 1 . 1 70 70 SER C C 13 174.621 0.000 . 1 . . . . . 70 SER C . 28106 1 360 . 1 . 1 71 71 PHE H H 1 7.832 0.000 . 1 . . . . . 71 PHE H . 28106 1 361 . 1 . 1 71 71 PHE C C 13 175.107 0.000 . 1 . . . . . 71 PHE C . 28106 1 362 . 1 . 1 71 71 PHE CA C 13 57.905 0.000 . 1 . . . . . 71 PHE CA . 28106 1 363 . 1 . 1 71 71 PHE CB C 13 39.913 0.000 . 1 . . . . . 71 PHE CB . 28106 1 364 . 1 . 1 71 71 PHE N N 15 121.403 0.000 . 1 . . . . . 71 PHE N . 28106 1 365 . 1 . 1 72 72 LEU H H 1 7.587 0.000 . 1 . . . . . 72 LEU H . 28106 1 366 . 1 . 1 72 72 LEU HD11 H 1 0.913 0.000 . 1 . . . . . 72 LEU HD11 . 28106 1 367 . 1 . 1 72 72 LEU HD12 H 1 0.913 0.000 . 1 . . . . . 72 LEU HD12 . 28106 1 368 . 1 . 1 72 72 LEU HD13 H 1 0.913 0.000 . 1 . . . . . 72 LEU HD13 . 28106 1 369 . 1 . 1 72 72 LEU HD21 H 1 0.882 0.000 . 1 . . . . . 72 LEU HD21 . 28106 1 370 . 1 . 1 72 72 LEU HD22 H 1 0.882 0.000 . 1 . . . . . 72 LEU HD22 . 28106 1 371 . 1 . 1 72 72 LEU HD23 H 1 0.882 0.000 . 1 . . . . . 72 LEU HD23 . 28106 1 372 . 1 . 1 72 72 LEU C C 13 174.234 0.000 . 1 . . . . . 72 LEU C . 28106 1 373 . 1 . 1 72 72 LEU CA C 13 53.350 0.000 . 1 . . . . . 72 LEU CA . 28106 1 374 . 1 . 1 72 72 LEU CB C 13 43.873 0.000 . 1 . . . . . 72 LEU CB . 28106 1 375 . 1 . 1 72 72 LEU CD1 C 13 23.684 0.000 . 1 . . . . . 72 LEU CD1 . 28106 1 376 . 1 . 1 72 72 LEU CD2 C 13 25.617 0.000 . 1 . . . . . 72 LEU CD2 . 28106 1 377 . 1 . 1 72 72 LEU N N 15 120.391 0.000 . 1 . . . . . 72 LEU N . 28106 1 378 . 1 . 1 73 73 LYS H H 1 8.420 0.000 . 1 . . . . . 73 LYS H . 28106 1 379 . 1 . 1 73 73 LYS C C 13 175.290 0.000 . 1 . . . . . 73 LYS C . 28106 1 380 . 1 . 1 73 73 LYS CA C 13 54.177 0.000 . 1 . . . . . 73 LYS CA . 28106 1 381 . 1 . 1 73 73 LYS CB C 13 30.132 0.000 . 1 . . . . . 73 LYS CB . 28106 1 382 . 1 . 1 73 73 LYS N N 15 126.024 0.000 . 1 . . . . . 73 LYS N . 28106 1 383 . 1 . 1 74 74 ASP H H 1 8.212 0.000 . 1 . . . . . 74 ASP H . 28106 1 384 . 1 . 1 74 74 ASP CA C 13 53.162 0.000 . 1 . . . . . 74 ASP CA . 28106 1 385 . 1 . 1 74 74 ASP CB C 13 40.298 0.000 . 1 . . . . . 74 ASP CB . 28106 1 386 . 1 . 1 74 74 ASP N N 15 125.610 0.000 . 1 . . . . . 74 ASP N . 28106 1 387 . 1 . 1 75 75 ASP C C 13 176.198 0.000 . 1 . . . . . 75 ASP C . 28106 1 388 . 1 . 1 76 76 SER H H 1 8.554 0.000 . 1 . . . . . 76 SER H . 28106 1 389 . 1 . 1 76 76 SER C C 13 175.750 0.000 . 1 . . . . . 76 SER C . 28106 1 390 . 1 . 1 76 76 SER CA C 13 57.358 0.000 . 1 . . . . . 76 SER CA . 28106 1 391 . 1 . 1 76 76 SER CB C 13 65.033 0.000 . 1 . . . . . 76 SER CB . 28106 1 392 . 1 . 1 76 76 SER N N 15 118.443 0.000 . 1 . . . . . 76 SER N . 28106 1 393 . 1 . 1 77 77 ILE H H 1 8.599 0.000 . 1 . . . . . 77 ILE H . 28106 1 394 . 1 . 1 77 77 ILE HD11 H 1 0.920 0.000 . 1 . . . . . 77 ILE HD11 . 28106 1 395 . 1 . 1 77 77 ILE HD12 H 1 0.920 0.000 . 1 . . . . . 77 ILE HD12 . 28106 1 396 . 1 . 1 77 77 ILE HD13 H 1 0.920 0.000 . 1 . . . . . 77 ILE HD13 . 28106 1 397 . 1 . 1 77 77 ILE C C 13 177.627 0.000 . 1 . . . . . 77 ILE C . 28106 1 398 . 1 . 1 77 77 ILE CA C 13 60.487 0.000 . 1 . . . . . 77 ILE CA . 28106 1 399 . 1 . 1 77 77 ILE CB C 13 35.874 0.000 . 1 . . . . . 77 ILE CB . 28106 1 400 . 1 . 1 77 77 ILE CD1 C 13 10.763 0.000 . 1 . . . . . 77 ILE CD1 . 28106 1 401 . 1 . 1 77 77 ILE N N 15 121.548 0.000 . 1 . . . . . 77 ILE N . 28106 1 402 . 1 . 1 78 78 ASP H H 1 7.706 0.000 . 1 . . . . . 78 ASP H . 28106 1 403 . 1 . 1 78 78 ASP C C 13 174.605 0.000 . 1 . . . . . 78 ASP C . 28106 1 404 . 1 . 1 78 78 ASP CA C 13 54.939 0.000 . 1 . . . . . 78 ASP CA . 28106 1 405 . 1 . 1 78 78 ASP CB C 13 40.811 0.000 . 1 . . . . . 78 ASP CB . 28106 1 406 . 1 . 1 78 78 ASP N N 15 119.129 0.000 . 1 . . . . . 78 ASP N . 28106 1 407 . 1 . 1 79 79 ASN H H 1 7.777 0.000 . 1 . . . . . 79 ASN H . 28106 1 408 . 1 . 1 79 79 ASN C C 13 174.479 0.000 . 1 . . . . . 79 ASN C . 28106 1 409 . 1 . 1 79 79 ASN CA C 13 49.927 0.000 . 1 . . . . . 79 ASN CA . 28106 1 410 . 1 . 1 79 79 ASN CB C 13 40.214 0.000 . 1 . . . . . 79 ASN CB . 28106 1 411 . 1 . 1 79 79 ASN N N 15 115.602 0.000 . 1 . . . . . 79 ASN N . 28106 1 412 . 1 . 1 80 80 LYS H H 1 7.207 0.000 . 1 . . . . . 80 LYS H . 28106 1 413 . 1 . 1 80 80 LYS C C 13 174.917 0.000 . 1 . . . . . 80 LYS C . 28106 1 414 . 1 . 1 80 80 LYS CA C 13 53.407 0.000 . 1 . . . . . 80 LYS CA . 28106 1 415 . 1 . 1 80 80 LYS CB C 13 38.008 0.000 . 1 . . . . . 80 LYS CB . 28106 1 416 . 1 . 1 80 80 LYS N N 15 119.535 0.000 . 1 . . . . . 80 LYS N . 28106 1 417 . 1 . 1 81 81 VAL H H 1 8.083 0.000 . 1 . . . . . 81 VAL H . 28106 1 418 . 1 . 1 81 81 VAL HG11 H 1 0.622 0.000 . 1 . . . . . 81 VAL HG11 . 28106 1 419 . 1 . 1 81 81 VAL HG12 H 1 0.622 0.000 . 1 . . . . . 81 VAL HG12 . 28106 1 420 . 1 . 1 81 81 VAL HG13 H 1 0.622 0.000 . 1 . . . . . 81 VAL HG13 . 28106 1 421 . 1 . 1 81 81 VAL HG21 H 1 0.298 0.000 . 1 . . . . . 81 VAL HG21 . 28106 1 422 . 1 . 1 81 81 VAL HG22 H 1 0.298 0.000 . 1 . . . . . 81 VAL HG22 . 28106 1 423 . 1 . 1 81 81 VAL HG23 H 1 0.298 0.000 . 1 . . . . . 81 VAL HG23 . 28106 1 424 . 1 . 1 81 81 VAL C C 13 172.620 0.000 . 1 . . . . . 81 VAL C . 28106 1 425 . 1 . 1 81 81 VAL CA C 13 57.118 0.000 . 1 . . . . . 81 VAL CA . 28106 1 426 . 1 . 1 81 81 VAL CB C 13 34.616 0.000 . 1 . . . . . 81 VAL CB . 28106 1 427 . 1 . 1 81 81 VAL CG1 C 13 22.666 0.000 . 1 . . . . . 81 VAL CG1 . 28106 1 428 . 1 . 1 81 81 VAL CG2 C 13 17.948 0.000 . 1 . . . . . 81 VAL CG2 . 28106 1 429 . 1 . 1 81 81 VAL N N 15 108.291 0.000 . 1 . . . . . 81 VAL N . 28106 1 430 . 1 . 1 82 82 LEU H H 1 9.522 0.000 . 1 . . . . . 82 LEU H . 28106 1 431 . 1 . 1 82 82 LEU HD11 H 1 0.976 0.000 . 1 . . . . . 82 LEU HD11 . 28106 1 432 . 1 . 1 82 82 LEU HD12 H 1 0.976 0.000 . 1 . . . . . 82 LEU HD12 . 28106 1 433 . 1 . 1 82 82 LEU HD13 H 1 0.976 0.000 . 1 . . . . . 82 LEU HD13 . 28106 1 434 . 1 . 1 82 82 LEU HD21 H 1 1.014 0.000 . 1 . . . . . 82 LEU HD21 . 28106 1 435 . 1 . 1 82 82 LEU HD22 H 1 1.014 0.000 . 1 . . . . . 82 LEU HD22 . 28106 1 436 . 1 . 1 82 82 LEU HD23 H 1 1.014 0.000 . 1 . . . . . 82 LEU HD23 . 28106 1 437 . 1 . 1 82 82 LEU C C 13 175.486 0.000 . 1 . . . . . 82 LEU C . 28106 1 438 . 1 . 1 82 82 LEU CA C 13 52.080 0.000 . 1 . . . . . 82 LEU CA . 28106 1 439 . 1 . 1 82 82 LEU CB C 13 44.368 0.000 . 1 . . . . . 82 LEU CB . 28106 1 440 . 1 . 1 82 82 LEU CD1 C 13 24.834 0.000 . 1 . . . . . 82 LEU CD1 . 28106 1 441 . 1 . 1 82 82 LEU CD2 C 13 27.459 0.000 . 1 . . . . . 82 LEU CD2 . 28106 1 442 . 1 . 1 82 82 LEU N N 15 125.159 0.000 . 1 . . . . . 82 LEU N . 28106 1 443 . 1 . 1 83 83 THR H H 1 8.888 0.000 . 1 . . . . . 83 THR H . 28106 1 444 . 1 . 1 83 83 THR C C 13 171.197 0.000 . 1 . . . . . 83 THR C . 28106 1 445 . 1 . 1 83 83 THR CA C 13 57.576 0.000 . 1 . . . . . 83 THR CA . 28106 1 446 . 1 . 1 83 83 THR CB C 13 69.405 0.000 . 1 . . . . . 83 THR CB . 28106 1 447 . 1 . 1 83 83 THR N N 15 122.087 0.000 . 1 . . . . . 83 THR N . 28106 1 448 . 1 . 1 84 84 ARG H H 1 8.541 0.000 . 1 . . . . . 84 ARG H . 28106 1 449 . 1 . 1 84 84 ARG CA C 13 57.510 0.000 . 1 . . . . . 84 ARG CA . 28106 1 450 . 1 . 1 84 84 ARG N N 15 127.946 0.000 . 1 . . . . . 84 ARG N . 28106 1 451 . 1 . 1 95 95 VAL HG11 H 1 1.043 0.000 . 1 . . . . . 95 VAL HG11 . 28106 1 452 . 1 . 1 95 95 VAL HG12 H 1 1.043 0.000 . 1 . . . . . 95 VAL HG12 . 28106 1 453 . 1 . 1 95 95 VAL HG13 H 1 1.043 0.000 . 1 . . . . . 95 VAL HG13 . 28106 1 454 . 1 . 1 95 95 VAL HG21 H 1 0.825 0.000 . 1 . . . . . 95 VAL HG21 . 28106 1 455 . 1 . 1 95 95 VAL HG22 H 1 0.825 0.000 . 1 . . . . . 95 VAL HG22 . 28106 1 456 . 1 . 1 95 95 VAL HG23 H 1 0.825 0.000 . 1 . . . . . 95 VAL HG23 . 28106 1 457 . 1 . 1 95 95 VAL CG1 C 13 23.152 0.000 . 1 . . . . . 95 VAL CG1 . 28106 1 458 . 1 . 1 95 95 VAL CG2 C 13 19.047 0.000 . 1 . . . . . 95 VAL CG2 . 28106 1 459 . 1 . 1 97 97 SER C C 13 174.708 0.000 . 1 . . . . . 97 SER C . 28106 1 460 . 1 . 1 98 98 GLU H H 1 9.070 0.000 . 1 . . . . . 98 GLU H . 28106 1 461 . 1 . 1 98 98 GLU C C 13 177.997 0.000 . 1 . . . . . 98 GLU C . 28106 1 462 . 1 . 1 98 98 GLU CA C 13 58.714 0.000 . 1 . . . . . 98 GLU CA . 28106 1 463 . 1 . 1 98 98 GLU CB C 13 30.879 0.000 . 1 . . . . . 98 GLU CB . 28106 1 464 . 1 . 1 98 98 GLU N N 15 120.960 0.000 . 1 . . . . . 98 GLU N . 28106 1 465 . 1 . 1 99 99 GLU H H 1 8.291 0.000 . 1 . . . . . 99 GLU H . 28106 1 466 . 1 . 1 99 99 GLU C C 13 178.914 0.000 . 1 . . . . . 99 GLU C . 28106 1 467 . 1 . 1 99 99 GLU CA C 13 58.197 0.000 . 1 . . . . . 99 GLU CA . 28106 1 468 . 1 . 1 99 99 GLU CB C 13 31.314 0.000 . 1 . . . . . 99 GLU CB . 28106 1 469 . 1 . 1 99 99 GLU N N 15 118.437 0.000 . 1 . . . . . 99 GLU N . 28106 1 470 . 1 . 1 100 100 VAL H H 1 7.327 0.000 . 1 . . . . . 100 VAL H . 28106 1 471 . 1 . 1 100 100 VAL HG11 H 1 1.259 0.000 . 1 . . . . . 100 VAL HG11 . 28106 1 472 . 1 . 1 100 100 VAL HG12 H 1 1.259 0.000 . 1 . . . . . 100 VAL HG12 . 28106 1 473 . 1 . 1 100 100 VAL HG13 H 1 1.259 0.000 . 1 . . . . . 100 VAL HG13 . 28106 1 474 . 1 . 1 100 100 VAL HG21 H 1 1.077 0.000 . 1 . . . . . 100 VAL HG21 . 28106 1 475 . 1 . 1 100 100 VAL HG22 H 1 1.077 0.000 . 1 . . . . . 100 VAL HG22 . 28106 1 476 . 1 . 1 100 100 VAL HG23 H 1 1.077 0.000 . 1 . . . . . 100 VAL HG23 . 28106 1 477 . 1 . 1 100 100 VAL C C 13 178.540 0.000 . 1 . . . . . 100 VAL C . 28106 1 478 . 1 . 1 100 100 VAL CA C 13 65.122 0.000 . 1 . . . . . 100 VAL CA . 28106 1 479 . 1 . 1 100 100 VAL CB C 13 32.423 0.000 . 1 . . . . . 100 VAL CB . 28106 1 480 . 1 . 1 100 100 VAL CG1 C 13 21.395 0.000 . 1 . . . . . 100 VAL CG1 . 28106 1 481 . 1 . 1 100 100 VAL CG2 C 13 23.133 0.000 . 1 . . . . . 100 VAL CG2 . 28106 1 482 . 1 . 1 100 100 VAL N N 15 122.775 0.000 . 1 . . . . . 100 VAL N . 28106 1 483 . 1 . 1 101 101 VAL H H 1 8.139 0.000 . 1 . . . . . 101 VAL H . 28106 1 484 . 1 . 1 101 101 VAL HG11 H 1 1.072 0.000 . 1 . . . . . 101 VAL HG11 . 28106 1 485 . 1 . 1 101 101 VAL HG12 H 1 1.072 0.000 . 1 . . . . . 101 VAL HG12 . 28106 1 486 . 1 . 1 101 101 VAL HG13 H 1 1.072 0.000 . 1 . . . . . 101 VAL HG13 . 28106 1 487 . 1 . 1 101 101 VAL HG21 H 1 1.439 0.000 . 1 . . . . . 101 VAL HG21 . 28106 1 488 . 1 . 1 101 101 VAL HG22 H 1 1.439 0.000 . 1 . . . . . 101 VAL HG22 . 28106 1 489 . 1 . 1 101 101 VAL HG23 H 1 1.439 0.000 . 1 . . . . . 101 VAL HG23 . 28106 1 490 . 1 . 1 101 101 VAL C C 13 177.755 0.000 . 1 . . . . . 101 VAL C . 28106 1 491 . 1 . 1 101 101 VAL CA C 13 64.568 0.000 . 1 . . . . . 101 VAL CA . 28106 1 492 . 1 . 1 101 101 VAL CB C 13 28.556 0.000 . 1 . . . . . 101 VAL CB . 28106 1 493 . 1 . 1 101 101 VAL CG1 C 13 22.869 0.000 . 1 . . . . . 101 VAL CG1 . 28106 1 494 . 1 . 1 101 101 VAL CG2 C 13 23.507 0.000 . 1 . . . . . 101 VAL CG2 . 28106 1 495 . 1 . 1 101 101 VAL N N 15 119.415 0.000 . 1 . . . . . 101 VAL N . 28106 1 496 . 1 . 1 102 102 LYS H H 1 8.031 0.000 . 1 . . . . . 102 LYS H . 28106 1 497 . 1 . 1 102 102 LYS CA C 13 57.990 0.000 . 1 . . . . . 102 LYS CA . 28106 1 498 . 1 . 1 102 102 LYS CB C 13 30.542 0.000 . 1 . . . . . 102 LYS CB . 28106 1 499 . 1 . 1 102 102 LYS N N 15 116.005 0.000 . 1 . . . . . 102 LYS N . 28106 1 500 . 1 . 1 103 103 LYS H H 1 7.155 0.000 . 1 . . . . . 103 LYS H . 28106 1 501 . 1 . 1 103 103 LYS C C 13 178.540 0.000 . 1 . . . . . 103 LYS C . 28106 1 502 . 1 . 1 103 103 LYS CA C 13 56.951 0.000 . 1 . . . . . 103 LYS CA . 28106 1 503 . 1 . 1 103 103 LYS CB C 13 32.423 0.000 . 1 . . . . . 103 LYS CB . 28106 1 504 . 1 . 1 103 103 LYS N N 15 116.940 0.000 . 1 . . . . . 103 LYS N . 28106 1 505 . 1 . 1 104 104 MET H H 1 7.832 0.000 . 1 . . . . . 104 MET H . 28106 1 506 . 1 . 1 104 104 MET C C 13 177.395 0.000 . 1 . . . . . 104 MET C . 28106 1 507 . 1 . 1 104 104 MET CA C 13 52.185 0.000 . 1 . . . . . 104 MET CA . 28106 1 508 . 1 . 1 104 104 MET CB C 13 28.556 0.000 . 1 . . . . . 104 MET CB . 28106 1 509 . 1 . 1 104 104 MET N N 15 114.826 0.000 . 1 . . . . . 104 MET N . 28106 1 510 . 1 . 1 105 105 LYS H H 1 7.830 0.000 . 1 . . . . . 105 LYS H . 28106 1 511 . 1 . 1 105 105 LYS CA C 13 59.616 0.000 . 1 . . . . . 105 LYS CA . 28106 1 512 . 1 . 1 105 105 LYS CB C 13 30.542 0.000 . 1 . . . . . 105 LYS CB . 28106 1 513 . 1 . 1 105 105 LYS N N 15 119.968 0.000 . 1 . . . . . 105 LYS N . 28106 1 514 . 1 . 1 106 106 ASN H H 1 8.340 0.000 . 1 . . . . . 106 ASN H . 28106 1 515 . 1 . 1 106 106 ASN C C 13 177.933 0.000 . 1 . . . . . 106 ASN C . 28106 1 516 . 1 . 1 106 106 ASN CA C 13 55.300 0.000 . 1 . . . . . 106 ASN CA . 28106 1 517 . 1 . 1 106 106 ASN CB C 13 36.844 0.000 . 1 . . . . . 106 ASN CB . 28106 1 518 . 1 . 1 106 106 ASN N N 15 116.625 0.000 . 1 . . . . . 106 ASN N . 28106 1 519 . 1 . 1 107 107 TYR H H 1 7.882 0.000 . 1 . . . . . 107 TYR H . 28106 1 520 . 1 . 1 107 107 TYR C C 13 177.867 0.000 . 1 . . . . . 107 TYR C . 28106 1 521 . 1 . 1 107 107 TYR CA C 13 59.175 0.000 . 1 . . . . . 107 TYR CA . 28106 1 522 . 1 . 1 107 107 TYR CB C 13 36.982 0.000 . 1 . . . . . 107 TYR CB . 28106 1 523 . 1 . 1 107 107 TYR N N 15 124.599 0.000 . 1 . . . . . 107 TYR N . 28106 1 524 . 1 . 1 108 108 TRP H H 1 8.429 0.000 . 1 . . . . . 108 TRP H . 28106 1 525 . 1 . 1 108 108 TRP C C 13 178.827 0.000 . 1 . . . . . 108 TRP C . 28106 1 526 . 1 . 1 108 108 TRP CA C 13 56.676 0.000 . 1 . . . . . 108 TRP CA . 28106 1 527 . 1 . 1 108 108 TRP CB C 13 27.256 0.000 . 1 . . . . . 108 TRP CB . 28106 1 528 . 1 . 1 108 108 TRP N N 15 120.044 0.000 . 1 . . . . . 108 TRP N . 28106 1 529 . 1 . 1 109 109 ARG H H 1 9.071 0.000 . 1 . . . . . 109 ARG H . 28106 1 530 . 1 . 1 109 109 ARG C C 13 178.249 0.000 . 1 . . . . . 109 ARG C . 28106 1 531 . 1 . 1 109 109 ARG CA C 13 57.797 0.000 . 1 . . . . . 109 ARG CA . 28106 1 532 . 1 . 1 109 109 ARG CB C 13 28.594 0.000 . 1 . . . . . 109 ARG CB . 28106 1 533 . 1 . 1 109 109 ARG N N 15 119.071 0.000 . 1 . . . . . 109 ARG N . 28106 1 534 . 1 . 1 110 110 GLN H H 1 7.689 0.000 . 1 . . . . . 110 GLN H . 28106 1 535 . 1 . 1 110 110 GLN C C 13 179.842 0.000 . 1 . . . . . 110 GLN C . 28106 1 536 . 1 . 1 110 110 GLN CA C 13 57.829 0.000 . 1 . . . . . 110 GLN CA . 28106 1 537 . 1 . 1 110 110 GLN CB C 13 27.423 0.000 . 1 . . . . . 110 GLN CB . 28106 1 538 . 1 . 1 110 110 GLN N N 15 120.577 0.000 . 1 . . . . . 110 GLN N . 28106 1 539 . 1 . 1 111 111 LEU HD11 H 1 0.780 0.000 . 1 . . . . . 111 LEU HD11 . 28106 1 540 . 1 . 1 111 111 LEU HD12 H 1 0.780 0.000 . 1 . . . . . 111 LEU HD12 . 28106 1 541 . 1 . 1 111 111 LEU HD13 H 1 0.780 0.000 . 1 . . . . . 111 LEU HD13 . 28106 1 542 . 1 . 1 111 111 LEU HD21 H 1 0.742 0.000 . 1 . . . . . 111 LEU HD21 . 28106 1 543 . 1 . 1 111 111 LEU HD22 H 1 0.742 0.000 . 1 . . . . . 111 LEU HD22 . 28106 1 544 . 1 . 1 111 111 LEU HD23 H 1 0.742 0.000 . 1 . . . . . 111 LEU HD23 . 28106 1 545 . 1 . 1 111 111 LEU C C 13 179.221 0.000 . 1 . . . . . 111 LEU C . 28106 1 546 . 1 . 1 111 111 LEU CD1 C 13 27.144 0.000 . 1 . . . . . 111 LEU CD1 . 28106 1 547 . 1 . 1 111 111 LEU CD2 C 13 21.206 0.000 . 1 . . . . . 111 LEU CD2 . 28106 1 548 . 1 . 1 112 112 LEU H H 1 8.402 0.000 . 1 . . . . . 112 LEU H . 28106 1 549 . 1 . 1 112 112 LEU HD11 H 1 0.653 0.000 . 1 . . . . . 112 LEU HD11 . 28106 1 550 . 1 . 1 112 112 LEU HD12 H 1 0.653 0.000 . 1 . . . . . 112 LEU HD12 . 28106 1 551 . 1 . 1 112 112 LEU HD13 H 1 0.653 0.000 . 1 . . . . . 112 LEU HD13 . 28106 1 552 . 1 . 1 112 112 LEU HD21 H 1 0.233 0.000 . 1 . . . . . 112 LEU HD21 . 28106 1 553 . 1 . 1 112 112 LEU HD22 H 1 0.233 0.000 . 1 . . . . . 112 LEU HD22 . 28106 1 554 . 1 . 1 112 112 LEU HD23 H 1 0.233 0.000 . 1 . . . . . 112 LEU HD23 . 28106 1 555 . 1 . 1 112 112 LEU C C 13 180.815 0.000 . 1 . . . . . 112 LEU C . 28106 1 556 . 1 . 1 112 112 LEU CA C 13 56.414 0.000 . 1 . . . . . 112 LEU CA . 28106 1 557 . 1 . 1 112 112 LEU CB C 13 41.107 0.000 . 1 . . . . . 112 LEU CB . 28106 1 558 . 1 . 1 112 112 LEU CD1 C 13 22.971 0.000 . 1 . . . . . 112 LEU CD1 . 28106 1 559 . 1 . 1 112 112 LEU CD2 C 13 25.260 0.000 . 1 . . . . . 112 LEU CD2 . 28106 1 560 . 1 . 1 112 112 LEU N N 15 123.670 0.000 . 1 . . . . . 112 LEU N . 28106 1 561 . 1 . 1 113 113 ASN H H 1 8.491 0.000 . 1 . . . . . 113 ASN H . 28106 1 562 . 1 . 1 113 113 ASN C C 13 176.235 0.000 . 1 . . . . . 113 ASN C . 28106 1 563 . 1 . 1 113 113 ASN CA C 13 54.356 0.000 . 1 . . . . . 113 ASN CA . 28106 1 564 . 1 . 1 113 113 ASN CB C 13 37.082 0.000 . 1 . . . . . 113 ASN CB . 28106 1 565 . 1 . 1 113 113 ASN N N 15 120.912 0.000 . 1 . . . . . 113 ASN N . 28106 1 566 . 1 . 1 114 114 ALA H H 1 7.344 0.000 . 1 . . . . . 114 ALA H . 28106 1 567 . 1 . 1 114 114 ALA C C 13 174.933 0.000 . 1 . . . . . 114 ALA C . 28106 1 568 . 1 . 1 114 114 ALA CA C 13 50.925 0.000 . 1 . . . . . 114 ALA CA . 28106 1 569 . 1 . 1 114 114 ALA CB C 13 18.584 0.000 . 1 . . . . . 114 ALA CB . 28106 1 570 . 1 . 1 114 114 ALA N N 15 120.313 0.000 . 1 . . . . . 114 ALA N . 28106 1 571 . 1 . 1 115 115 LYS H H 1 7.877 0.000 . 1 . . . . . 115 LYS H . 28106 1 572 . 1 . 1 115 115 LYS C C 13 176.487 0.000 . 1 . . . . . 115 LYS C . 28106 1 573 . 1 . 1 115 115 LYS CA C 13 56.386 0.000 . 1 . . . . . 115 LYS CA . 28106 1 574 . 1 . 1 115 115 LYS CB C 13 27.267 0.000 . 1 . . . . . 115 LYS CB . 28106 1 575 . 1 . 1 115 115 LYS N N 15 112.226 0.000 . 1 . . . . . 115 LYS N . 28106 1 576 . 1 . 1 116 116 LEU H H 1 8.309 0.000 . 1 . . . . . 116 LEU H . 28106 1 577 . 1 . 1 116 116 LEU HD11 H 1 0.930 0.000 . 1 . . . . . 116 LEU HD11 . 28106 1 578 . 1 . 1 116 116 LEU HD12 H 1 0.930 0.000 . 1 . . . . . 116 LEU HD12 . 28106 1 579 . 1 . 1 116 116 LEU HD13 H 1 0.930 0.000 . 1 . . . . . 116 LEU HD13 . 28106 1 580 . 1 . 1 116 116 LEU HD21 H 1 1.108 0.000 . 1 . . . . . 116 LEU HD21 . 28106 1 581 . 1 . 1 116 116 LEU HD22 H 1 1.108 0.000 . 1 . . . . . 116 LEU HD22 . 28106 1 582 . 1 . 1 116 116 LEU HD23 H 1 1.108 0.000 . 1 . . . . . 116 LEU HD23 . 28106 1 583 . 1 . 1 116 116 LEU C C 13 177.765 0.000 . 1 . . . . . 116 LEU C . 28106 1 584 . 1 . 1 116 116 LEU CA C 13 54.909 0.000 . 1 . . . . . 116 LEU CA . 28106 1 585 . 1 . 1 116 116 LEU CB C 13 40.787 0.000 . 1 . . . . . 116 LEU CB . 28106 1 586 . 1 . 1 116 116 LEU CD1 C 13 26.620 0.000 . 1 . . . . . 116 LEU CD1 . 28106 1 587 . 1 . 1 116 116 LEU CD2 C 13 23.781 0.000 . 1 . . . . . 116 LEU CD2 . 28106 1 588 . 1 . 1 116 116 LEU N N 15 119.978 0.000 . 1 . . . . . 116 LEU N . 28106 1 589 . 1 . 1 117 117 ILE H H 1 6.949 0.000 . 1 . . . . . 117 ILE H . 28106 1 590 . 1 . 1 117 117 ILE HD11 H 1 0.855 0.000 . 1 . . . . . 117 ILE HD11 . 28106 1 591 . 1 . 1 117 117 ILE HD12 H 1 0.855 0.000 . 1 . . . . . 117 ILE HD12 . 28106 1 592 . 1 . 1 117 117 ILE HD13 H 1 0.855 0.000 . 1 . . . . . 117 ILE HD13 . 28106 1 593 . 1 . 1 117 117 ILE C C 13 174.133 0.000 . 1 . . . . . 117 ILE C . 28106 1 594 . 1 . 1 117 117 ILE CA C 13 57.811 0.000 . 1 . . . . . 117 ILE CA . 28106 1 595 . 1 . 1 117 117 ILE CB C 13 40.855 0.000 . 1 . . . . . 117 ILE CB . 28106 1 596 . 1 . 1 117 117 ILE CD1 C 13 14.557 0.000 . 1 . . . . . 117 ILE CD1 . 28106 1 597 . 1 . 1 117 117 ILE N N 15 107.602 0.000 . 1 . . . . . 117 ILE N . 28106 1 598 . 1 . 1 118 118 THR H H 1 7.002 0.000 . 1 . . . . . 118 THR H . 28106 1 599 . 1 . 1 118 118 THR C C 13 175.372 0.000 . 1 . . . . . 118 THR C . 28106 1 600 . 1 . 1 118 118 THR CA C 13 58.736 0.000 . 1 . . . . . 118 THR CA . 28106 1 601 . 1 . 1 118 118 THR CB C 13 71.381 0.000 . 1 . . . . . 118 THR CB . 28106 1 602 . 1 . 1 118 118 THR N N 15 110.121 0.000 . 1 . . . . . 118 THR N . 28106 1 603 . 1 . 1 119 119 GLN H H 1 8.849 0.000 . 1 . . . . . 119 GLN H . 28106 1 604 . 1 . 1 119 119 GLN C C 13 177.283 0.000 . 1 . . . . . 119 GLN C . 28106 1 605 . 1 . 1 119 119 GLN CA C 13 57.092 0.000 . 1 . . . . . 119 GLN CA . 28106 1 606 . 1 . 1 119 119 GLN CB C 13 27.734 0.000 . 1 . . . . . 119 GLN CB . 28106 1 607 . 1 . 1 119 119 GLN N N 15 121.443 0.000 . 1 . . . . . 119 GLN N . 28106 1 608 . 1 . 1 120 120 ARG H H 1 8.090 0.000 . 1 . . . . . 120 ARG H . 28106 1 609 . 1 . 1 120 120 ARG C C 13 177.424 0.000 . 1 . . . . . 120 ARG C . 28106 1 610 . 1 . 1 120 120 ARG CA C 13 57.751 0.000 . 1 . . . . . 120 ARG CA . 28106 1 611 . 1 . 1 120 120 ARG CB C 13 29.123 0.000 . 1 . . . . . 120 ARG CB . 28106 1 612 . 1 . 1 120 120 ARG N N 15 118.869 0.000 . 1 . . . . . 120 ARG N . 28106 1 613 . 1 . 1 121 121 LYS H H 1 7.549 0.000 . 1 . . . . . 121 LYS H . 28106 1 614 . 1 . 1 121 121 LYS C C 13 177.909 0.000 . 1 . . . . . 121 LYS C . 28106 1 615 . 1 . 1 121 121 LYS CA C 13 58.788 0.000 . 1 . . . . . 121 LYS CA . 28106 1 616 . 1 . 1 121 121 LYS CB C 13 31.888 0.000 . 1 . . . . . 121 LYS CB . 28106 1 617 . 1 . 1 121 121 LYS N N 15 120.483 0.000 . 1 . . . . . 121 LYS N . 28106 1 618 . 1 . 1 122 122 PHE H H 1 8.326 0.000 . 1 . . . . . 122 PHE H . 28106 1 619 . 1 . 1 122 122 PHE C C 13 177.890 0.000 . 1 . . . . . 122 PHE C . 28106 1 620 . 1 . 1 122 122 PHE CA C 13 61.110 0.000 . 1 . . . . . 122 PHE CA . 28106 1 621 . 1 . 1 122 122 PHE CB C 13 39.002 0.000 . 1 . . . . . 122 PHE CB . 28106 1 622 . 1 . 1 122 122 PHE N N 15 119.144 0.000 . 1 . . . . . 122 PHE N . 28106 1 623 . 1 . 1 123 123 ASP H H 1 9.305 0.000 . 1 . . . . . 123 ASP H . 28106 1 624 . 1 . 1 123 123 ASP C C 13 178.557 0.000 . 1 . . . . . 123 ASP C . 28106 1 625 . 1 . 1 123 123 ASP CA C 13 55.822 0.000 . 1 . . . . . 123 ASP CA . 28106 1 626 . 1 . 1 123 123 ASP CB C 13 38.889 0.000 . 1 . . . . . 123 ASP CB . 28106 1 627 . 1 . 1 123 123 ASP N N 15 122.944 0.000 . 1 . . . . . 123 ASP N . 28106 1 628 . 1 . 1 124 124 ASN H H 1 8.007 0.000 . 1 . . . . . 124 ASN H . 28106 1 629 . 1 . 1 124 124 ASN C C 13 176.440 0.000 . 1 . . . . . 124 ASN C . 28106 1 630 . 1 . 1 124 124 ASN CA C 13 54.297 0.000 . 1 . . . . . 124 ASN CA . 28106 1 631 . 1 . 1 124 124 ASN CB C 13 36.730 0.000 . 1 . . . . . 124 ASN CB . 28106 1 632 . 1 . 1 124 124 ASN N N 15 119.947 0.000 . 1 . . . . . 124 ASN N . 28106 1 633 . 1 . 1 125 125 LEU H H 1 8.203 0.000 . 1 . . . . . 125 LEU H . 28106 1 634 . 1 . 1 125 125 LEU HD11 H 1 -0.349 0.000 . 1 . . . . . 125 LEU HD11 . 28106 1 635 . 1 . 1 125 125 LEU HD12 H 1 -0.349 0.000 . 1 . . . . . 125 LEU HD12 . 28106 1 636 . 1 . 1 125 125 LEU HD13 H 1 -0.349 0.000 . 1 . . . . . 125 LEU HD13 . 28106 1 637 . 1 . 1 125 125 LEU HD21 H 1 0.268 0.000 . 1 . . . . . 125 LEU HD21 . 28106 1 638 . 1 . 1 125 125 LEU HD22 H 1 0.268 0.000 . 1 . . . . . 125 LEU HD22 . 28106 1 639 . 1 . 1 125 125 LEU HD23 H 1 0.268 0.000 . 1 . . . . . 125 LEU HD23 . 28106 1 640 . 1 . 1 125 125 LEU C C 13 178.084 0.000 . 1 . . . . . 125 LEU C . 28106 1 641 . 1 . 1 125 125 LEU CA C 13 56.476 0.000 . 1 . . . . . 125 LEU CA . 28106 1 642 . 1 . 1 125 125 LEU CB C 13 39.725 0.000 . 1 . . . . . 125 LEU CB . 28106 1 643 . 1 . 1 125 125 LEU CD1 C 13 25.714 0.000 . 1 . . . . . 125 LEU CD1 . 28106 1 644 . 1 . 1 125 125 LEU CD2 C 13 22.949 0.000 . 1 . . . . . 125 LEU CD2 . 28106 1 645 . 1 . 1 125 125 LEU N N 15 119.391 0.000 . 1 . . . . . 125 LEU N . 28106 1 646 . 1 . 1 126 126 THR H H 1 7.026 0.000 . 1 . . . . . 126 THR H . 28106 1 647 . 1 . 1 126 126 THR C C 13 175.182 0.000 . 1 . . . . . 126 THR C . 28106 1 648 . 1 . 1 126 126 THR CA C 13 59.661 0.000 . 1 . . . . . 126 THR CA . 28106 1 649 . 1 . 1 126 126 THR CB C 13 69.328 0.000 . 1 . . . . . 126 THR CB . 28106 1 650 . 1 . 1 126 126 THR N N 15 101.752 0.000 . 1 . . . . . 126 THR N . 28106 1 651 . 1 . 1 127 127 LYS H H 1 7.070 0.000 . 1 . . . . . 127 LYS H . 28106 1 652 . 1 . 1 127 127 LYS CA C 13 58.304 0.000 . 1 . . . . . 127 LYS CA . 28106 1 653 . 1 . 1 127 127 LYS CB C 13 32.225 0.000 . 1 . . . . . 127 LYS CB . 28106 1 654 . 1 . 1 127 127 LYS N N 15 124.731 0.000 . 1 . . . . . 127 LYS N . 28106 1 655 . 1 . 1 128 128 ALA C C 13 180.177 0.000 . 1 . . . . . 128 ALA C . 28106 1 656 . 1 . 1 129 129 GLU H H 1 8.095 0.000 . 1 . . . . . 129 GLU H . 28106 1 657 . 1 . 1 129 129 GLU C C 13 176.940 0.000 . 1 . . . . . 129 GLU C . 28106 1 658 . 1 . 1 129 129 GLU CA C 13 56.306 0.000 . 1 . . . . . 129 GLU CA . 28106 1 659 . 1 . 1 129 129 GLU CB C 13 29.376 0.000 . 1 . . . . . 129 GLU CB . 28106 1 660 . 1 . 1 129 129 GLU N N 15 114.570 0.000 . 1 . . . . . 129 GLU N . 28106 1 661 . 1 . 1 130 130 ARG H H 1 7.739 0.000 . 1 . . . . . 130 ARG H . 28106 1 662 . 1 . 1 130 130 ARG CA C 13 53.539 0.000 . 1 . . . . . 130 ARG CA . 28106 1 663 . 1 . 1 130 130 ARG CB C 13 29.262 0.000 . 1 . . . . . 130 ARG CB . 28106 1 664 . 1 . 1 130 130 ARG N N 15 119.083 0.000 . 1 . . . . . 130 ARG N . 28106 1 665 . 1 . 1 133 133 LEU HD11 H 1 0.535 0.000 . 1 . . . . . 133 LEU HD11 . 28106 1 666 . 1 . 1 133 133 LEU HD12 H 1 0.535 0.000 . 1 . . . . . 133 LEU HD12 . 28106 1 667 . 1 . 1 133 133 LEU HD13 H 1 0.535 0.000 . 1 . . . . . 133 LEU HD13 . 28106 1 668 . 1 . 1 133 133 LEU HD21 H 1 0.566 0.000 . 1 . . . . . 133 LEU HD21 . 28106 1 669 . 1 . 1 133 133 LEU HD22 H 1 0.566 0.000 . 1 . . . . . 133 LEU HD22 . 28106 1 670 . 1 . 1 133 133 LEU HD23 H 1 0.566 0.000 . 1 . . . . . 133 LEU HD23 . 28106 1 671 . 1 . 1 133 133 LEU CD1 C 13 25.432 0.000 . 1 . . . . . 133 LEU CD1 . 28106 1 672 . 1 . 1 133 133 LEU CD2 C 13 22.727 0.000 . 1 . . . . . 133 LEU CD2 . 28106 1 stop_ save_