data_34443 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34443 _Entry.Title ; Timeless couples G quadruplex detection with processing by DDX11 during DNA replication ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-31 _Entry.Accession_date 2019-10-31 _Entry.Last_release_date 2020-06-25 _Entry.Original_release_date 2020-06-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 L. 'Lerner Koch' L. . . . 34443 2 S. Holzer S. . . . 34443 3 M. Kilkenny M. L. . . 34443 4 P. Murat P. . . . 34443 5 S. Svikovic S. . . . 34443 6 D. Schiavone D. . . . 34443 7 A. Bittleston A. . . . 34443 8 J. Maman J. D. . . 34443 9 D. Branzei D. . . . 34443 10 K. Stott K. . . . 34443 11 L. Pellegrini L. . . . 34443 12 E. Sale E. J. . . 34443 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '3-helix bundle' . 34443 'DNA BINDING PROTEIN' . 34443 'DNA-binding protein' . 34443 'tandem repeat' . 34443 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34443 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 638 34443 '15N chemical shifts' 151 34443 '1H chemical shifts' 1041 34443 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 . . 2020-08-16 2019-10-31 update BMRB 'update entry citation' 34443 1 . . 2020-06-26 2019-10-31 original author 'original release' 34443 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TAZ 'BMRB Entry Tracking System' 34443 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34443 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32705708 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Timeless couples G quadruplex detection with processing by DDX11 during DNA replication ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Embo J.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM EMJODG _Citation.Journal_ISSN 1460-2075 _Citation.Journal_CSD 0897 _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 e104185 _Citation.Page_last e104185 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Leticia Lerner L. K. . . 34443 1 2 Sandro Holzer S. . . . 34443 1 3 Mairi Kilkenny M. L. . . 34443 1 4 Sasa Svikovic S. . . . 34443 1 5 Pierre Murat P. . . . 34443 1 6 Davide Schiavone D. . . . 34443 1 7 Cara Eldridge C. B. . . 34443 1 8 Alice Bittleston A. . . . 34443 1 9 Joseph Maman J. D. . . 34443 1 10 Dana Branzei D. . . . 34443 1 11 Katherine Stott K. . . . 34443 1 12 Luca Pellegrini L. . . . 34443 1 13 Julian Sale J. E. . . 34443 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34443 _Assembly.ID 1 _Assembly.Name 'Protein timeless homolog' _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 unit_1 1 $entity_1 A B yes . . . . . . 34443 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34443 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DPSRRAPTWSPEEEAHLREL YLANKDVEGQDVVEAILAHL NTVPRTRKQIIHHLVQMGLA DSVKDFQRKGTHIVLWTGDQ ELELQRLFEEFRDSDDVLGH IMKNITAKRSRARIVDKLLA LGLVAERRELYKKRQKKLAS S ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16359.771 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID hTIM common 34443 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . 34443 1 2 . PRO . 34443 1 3 . SER . 34443 1 4 . ARG . 34443 1 5 . ARG . 34443 1 6 . ALA . 34443 1 7 . PRO . 34443 1 8 . THR . 34443 1 9 . TRP . 34443 1 10 . SER . 34443 1 11 . PRO . 34443 1 12 . GLU . 34443 1 13 . GLU . 34443 1 14 . GLU . 34443 1 15 . ALA . 34443 1 16 . HIS . 34443 1 17 . LEU . 34443 1 18 . ARG . 34443 1 19 . GLU . 34443 1 20 . LEU . 34443 1 21 . TYR . 34443 1 22 . LEU . 34443 1 23 . ALA . 34443 1 24 . ASN . 34443 1 25 . LYS . 34443 1 26 . ASP . 34443 1 27 . VAL . 34443 1 28 . GLU . 34443 1 29 . GLY . 34443 1 30 . GLN . 34443 1 31 . ASP . 34443 1 32 . VAL . 34443 1 33 . VAL . 34443 1 34 . GLU . 34443 1 35 . ALA . 34443 1 36 . ILE . 34443 1 37 . LEU . 34443 1 38 . ALA . 34443 1 39 . HIS . 34443 1 40 . LEU . 34443 1 41 . ASN . 34443 1 42 . THR . 34443 1 43 . VAL . 34443 1 44 . PRO . 34443 1 45 . ARG . 34443 1 46 . THR . 34443 1 47 . ARG . 34443 1 48 . LYS . 34443 1 49 . GLN . 34443 1 50 . ILE . 34443 1 51 . ILE . 34443 1 52 . HIS . 34443 1 53 . HIS . 34443 1 54 . LEU . 34443 1 55 . VAL . 34443 1 56 . GLN . 34443 1 57 . MET . 34443 1 58 . GLY . 34443 1 59 . LEU . 34443 1 60 . ALA . 34443 1 61 . ASP . 34443 1 62 . SER . 34443 1 63 . VAL . 34443 1 64 . LYS . 34443 1 65 . ASP . 34443 1 66 . PHE . 34443 1 67 . GLN . 34443 1 68 . ARG . 34443 1 69 . LYS . 34443 1 70 . GLY . 34443 1 71 . THR . 34443 1 72 . HIS . 34443 1 73 . ILE . 34443 1 74 . VAL . 34443 1 75 . LEU . 34443 1 76 . TRP . 34443 1 77 . THR . 34443 1 78 . GLY . 34443 1 79 . ASP . 34443 1 80 . GLN . 34443 1 81 . GLU . 34443 1 82 . LEU . 34443 1 83 . GLU . 34443 1 84 . LEU . 34443 1 85 . GLN . 34443 1 86 . ARG . 34443 1 87 . LEU . 34443 1 88 . PHE . 34443 1 89 . GLU . 34443 1 90 . GLU . 34443 1 91 . PHE . 34443 1 92 . ARG . 34443 1 93 . ASP . 34443 1 94 . SER . 34443 1 95 . ASP . 34443 1 96 . ASP . 34443 1 97 . VAL . 34443 1 98 . LEU . 34443 1 99 . GLY . 34443 1 100 . HIS . 34443 1 101 . ILE . 34443 1 102 . MET . 34443 1 103 . LYS . 34443 1 104 . ASN . 34443 1 105 . ILE . 34443 1 106 . THR . 34443 1 107 . ALA . 34443 1 108 . LYS . 34443 1 109 . ARG . 34443 1 110 . SER . 34443 1 111 . ARG . 34443 1 112 . ALA . 34443 1 113 . ARG . 34443 1 114 . ILE . 34443 1 115 . VAL . 34443 1 116 . ASP . 34443 1 117 . LYS . 34443 1 118 . LEU . 34443 1 119 . LEU . 34443 1 120 . ALA . 34443 1 121 . LEU . 34443 1 122 . GLY . 34443 1 123 . LEU . 34443 1 124 . VAL . 34443 1 125 . ALA . 34443 1 126 . GLU . 34443 1 127 . ARG . 34443 1 128 . ARG . 34443 1 129 . GLU . 34443 1 130 . LEU . 34443 1 131 . TYR . 34443 1 132 . LYS . 34443 1 133 . LYS . 34443 1 134 . ARG . 34443 1 135 . GLN . 34443 1 136 . LYS . 34443 1 137 . LYS . 34443 1 138 . LEU . 34443 1 139 . ALA . 34443 1 140 . SER . 34443 1 141 . SER . 34443 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 . ASP 1 1 34443 1 . PRO 2 2 34443 1 . SER 3 3 34443 1 . ARG 4 4 34443 1 . ARG 5 5 34443 1 . ALA 6 6 34443 1 . PRO 7 7 34443 1 . THR 8 8 34443 1 . TRP 9 9 34443 1 . SER 10 10 34443 1 . PRO 11 11 34443 1 . GLU 12 12 34443 1 . GLU 13 13 34443 1 . GLU 14 14 34443 1 . ALA 15 15 34443 1 . HIS 16 16 34443 1 . LEU 17 17 34443 1 . ARG 18 18 34443 1 . GLU 19 19 34443 1 . LEU 20 20 34443 1 . TYR 21 21 34443 1 . LEU 22 22 34443 1 . ALA 23 23 34443 1 . ASN 24 24 34443 1 . LYS 25 25 34443 1 . ASP 26 26 34443 1 . VAL 27 27 34443 1 . GLU 28 28 34443 1 . GLY 29 29 34443 1 . GLN 30 30 34443 1 . ASP 31 31 34443 1 . VAL 32 32 34443 1 . VAL 33 33 34443 1 . GLU 34 34 34443 1 . ALA 35 35 34443 1 . ILE 36 36 34443 1 . LEU 37 37 34443 1 . ALA 38 38 34443 1 . HIS 39 39 34443 1 . LEU 40 40 34443 1 . ASN 41 41 34443 1 . THR 42 42 34443 1 . VAL 43 43 34443 1 . PRO 44 44 34443 1 . ARG 45 45 34443 1 . THR 46 46 34443 1 . ARG 47 47 34443 1 . LYS 48 48 34443 1 . GLN 49 49 34443 1 . ILE 50 50 34443 1 . ILE 51 51 34443 1 . HIS 52 52 34443 1 . HIS 53 53 34443 1 . LEU 54 54 34443 1 . VAL 55 55 34443 1 . GLN 56 56 34443 1 . MET 57 57 34443 1 . GLY 58 58 34443 1 . LEU 59 59 34443 1 . ALA 60 60 34443 1 . ASP 61 61 34443 1 . SER 62 62 34443 1 . VAL 63 63 34443 1 . LYS 64 64 34443 1 . ASP 65 65 34443 1 . PHE 66 66 34443 1 . GLN 67 67 34443 1 . ARG 68 68 34443 1 . LYS 69 69 34443 1 . GLY 70 70 34443 1 . THR 71 71 34443 1 . HIS 72 72 34443 1 . ILE 73 73 34443 1 . VAL 74 74 34443 1 . LEU 75 75 34443 1 . TRP 76 76 34443 1 . THR 77 77 34443 1 . GLY 78 78 34443 1 . ASP 79 79 34443 1 . GLN 80 80 34443 1 . GLU 81 81 34443 1 . LEU 82 82 34443 1 . GLU 83 83 34443 1 . LEU 84 84 34443 1 . GLN 85 85 34443 1 . ARG 86 86 34443 1 . LEU 87 87 34443 1 . PHE 88 88 34443 1 . GLU 89 89 34443 1 . GLU 90 90 34443 1 . PHE 91 91 34443 1 . ARG 92 92 34443 1 . ASP 93 93 34443 1 . SER 94 94 34443 1 . ASP 95 95 34443 1 . ASP 96 96 34443 1 . VAL 97 97 34443 1 . LEU 98 98 34443 1 . GLY 99 99 34443 1 . HIS 100 100 34443 1 . ILE 101 101 34443 1 . MET 102 102 34443 1 . LYS 103 103 34443 1 . ASN 104 104 34443 1 . ILE 105 105 34443 1 . THR 106 106 34443 1 . ALA 107 107 34443 1 . LYS 108 108 34443 1 . ARG 109 109 34443 1 . SER 110 110 34443 1 . ARG 111 111 34443 1 . ALA 112 112 34443 1 . ARG 113 113 34443 1 . ILE 114 114 34443 1 . VAL 115 115 34443 1 . ASP 116 116 34443 1 . LYS 117 117 34443 1 . LEU 118 118 34443 1 . LEU 119 119 34443 1 . ALA 120 120 34443 1 . LEU 121 121 34443 1 . GLY 122 122 34443 1 . LEU 123 123 34443 1 . VAL 124 124 34443 1 . ALA 125 125 34443 1 . GLU 126 126 34443 1 . ARG 127 127 34443 1 . ARG 128 128 34443 1 . GLU 129 129 34443 1 . LEU 130 130 34443 1 . TYR 131 131 34443 1 . LYS 132 132 34443 1 . LYS 133 133 34443 1 . ARG 134 134 34443 1 . GLN 135 135 34443 1 . LYS 136 136 34443 1 . LYS 137 137 34443 1 . LEU 138 138 34443 1 . ALA 139 139 34443 1 . SER 140 140 34443 1 . SER 141 141 34443 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 34443 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TIMELESS, TIM, TIM1, TIMELESS1' . 34443 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 34443 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34443 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34443 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] TimDBD, 10 mM NA sodium phosphate, 40 mM NA potassium chloride, 0.5 mM NA EDTA, 90% H2O/10% D2O' _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 TimDBD '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34443 1 2 'sodium phosphate' NA . . . . . . 10 . . mM . . . . 34443 1 3 'potassium chloride' NA . . . . . . 40 . . mM . . . . 34443 1 4 EDTA NA . . . . . . 0.5 . . mM . . . . 34443 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34443 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34443 1 pH 6.4 . pH 34443 1 pressure 1 . atm 34443 1 temperature 298 . K 34443 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34443 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34443 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34443 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34443 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34443 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34443 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34443 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34443 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34443 3 . 'peak picking' 34443 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34443 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34443 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34443 _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 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 34443 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 34443 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 34443 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34443 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34443 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34443 _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 0.000 internal indirect 0.25144953 . . . . . 34443 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34443 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34443 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34443 _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 $chem_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 1H-15N NOESY' . . . 34443 1 2 '3D 1H-13C NOESY' . . . 34443 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 ASP HA H 1 4.598 0.002 . 1 . . . . B 1 ASP HA . 34443 1 2 . 1 . 1 1 1 ASP HB2 H 1 2.658 0.002 . 2 . . . . B 1 ASP HB2 . 34443 1 3 . 1 . 1 1 1 ASP HB3 H 1 2.722 0.005 . 2 . . . . B 1 ASP HB3 . 34443 1 4 . 1 . 1 1 1 ASP CA C 13 54.620 0.006 . 1 . . . . B 1 ASP CA . 34443 1 5 . 1 . 1 1 1 ASP CB C 13 41.213 0.001 . 1 . . . . B 1 ASP CB . 34443 1 6 . 1 . 1 3 3 SER H H 1 8.307 0.000 . 1 . . . . B 3 SER H . 34443 1 7 . 1 . 1 3 3 SER HA H 1 4.471 0.000 . 1 . . . . B 3 SER HA . 34443 1 8 . 1 . 1 3 3 SER HB2 H 1 3.877 0.000 . 2 . . . . B 3 SER HB2 . 34443 1 9 . 1 . 1 3 3 SER HB3 H 1 3.936 0.000 . 2 . . . . B 3 SER HB3 . 34443 1 10 . 1 . 1 3 3 SER C C 13 175.196 0.000 . 1 . . . . B 3 SER C . 34443 1 11 . 1 . 1 3 3 SER CA C 13 58.823 0.031 . 1 . . . . B 3 SER CA . 34443 1 12 . 1 . 1 3 3 SER CB C 13 63.594 0.009 . 1 . . . . B 3 SER CB . 34443 1 13 . 1 . 1 3 3 SER N N 15 116.850 0.000 . 1 . . . . B 3 SER N . 34443 1 14 . 1 . 1 4 4 ARG H H 1 8.258 0.003 . 1 . . . . B 4 ARG H . 34443 1 15 . 1 . 1 4 4 ARG HA H 1 4.309 0.001 . 1 . . . . B 4 ARG HA . 34443 1 16 . 1 . 1 4 4 ARG HB2 H 1 1.797 0.000 . 2 . . . . B 4 ARG HB2 . 34443 1 17 . 1 . 1 4 4 ARG HB3 H 1 1.885 0.000 . 2 . . . . B 4 ARG HB3 . 34443 1 18 . 1 . 1 4 4 ARG HG2 H 1 1.667 0.000 . 1 . . . . B 4 ARG HG2 . 34443 1 19 . 1 . 1 4 4 ARG HG3 H 1 1.667 0.000 . 1 . . . . B 4 ARG HG3 . 34443 1 20 . 1 . 1 4 4 ARG HD2 H 1 3.202 0.000 . 1 . . . . B 4 ARG HD2 . 34443 1 21 . 1 . 1 4 4 ARG HD3 H 1 3.202 0.000 . 1 . . . . B 4 ARG HD3 . 34443 1 22 . 1 . 1 4 4 ARG C C 13 176.201 0.000 . 1 . . . . B 4 ARG C . 34443 1 23 . 1 . 1 4 4 ARG CA C 13 56.360 0.025 . 1 . . . . B 4 ARG CA . 34443 1 24 . 1 . 1 4 4 ARG CB C 13 30.486 0.009 . 1 . . . . B 4 ARG CB . 34443 1 25 . 1 . 1 4 4 ARG CG C 13 27.085 0.061 . 1 . . . . B 4 ARG CG . 34443 1 26 . 1 . 1 4 4 ARG CD C 13 43.341 0.000 . 1 . . . . B 4 ARG CD . 34443 1 27 . 1 . 1 4 4 ARG N N 15 122.328 0.007 . 1 . . . . B 4 ARG N . 34443 1 28 . 1 . 1 5 5 ARG H H 1 8.153 0.002 . 1 . . . . B 5 ARG H . 34443 1 29 . 1 . 1 5 5 ARG HA H 1 4.307 0.003 . 1 . . . . B 5 ARG HA . 34443 1 30 . 1 . 1 5 5 ARG HB2 H 1 1.742 0.001 . 2 . . . . B 5 ARG HB2 . 34443 1 31 . 1 . 1 5 5 ARG HB3 H 1 1.836 0.001 . 2 . . . . B 5 ARG HB3 . 34443 1 32 . 1 . 1 5 5 ARG HG2 H 1 1.633 0.004 . 1 . . . . B 5 ARG HG2 . 34443 1 33 . 1 . 1 5 5 ARG HG3 H 1 1.633 0.004 . 1 . . . . B 5 ARG HG3 . 34443 1 34 . 1 . 1 5 5 ARG HD2 H 1 3.196 0.000 . 1 . . . . B 5 ARG HD2 . 34443 1 35 . 1 . 1 5 5 ARG HD3 H 1 3.196 0.000 . 1 . . . . B 5 ARG HD3 . 34443 1 36 . 1 . 1 5 5 ARG C C 13 175.752 0.000 . 1 . . . . B 5 ARG C . 34443 1 37 . 1 . 1 5 5 ARG CA C 13 55.758 0.019 . 1 . . . . B 5 ARG CA . 34443 1 38 . 1 . 1 5 5 ARG CB C 13 30.897 0.011 . 1 . . . . B 5 ARG CB . 34443 1 39 . 1 . 1 5 5 ARG CG C 13 27.044 0.035 . 1 . . . . B 5 ARG CG . 34443 1 40 . 1 . 1 5 5 ARG CD C 13 43.317 0.001 . 1 . . . . B 5 ARG CD . 34443 1 41 . 1 . 1 5 5 ARG N N 15 121.497 0.009 . 1 . . . . B 5 ARG N . 34443 1 42 . 1 . 1 6 6 ALA H H 1 8.346 0.002 . 1 . . . . B 6 ALA H . 34443 1 43 . 1 . 1 6 6 ALA HA H 1 4.561 0.003 . 1 . . . . B 6 ALA HA . 34443 1 44 . 1 . 1 6 6 ALA HB1 H 1 1.338 0.004 . 1 . . . . B 6 ALA HB1 . 34443 1 45 . 1 . 1 6 6 ALA HB2 H 1 1.338 0.004 . 1 . . . . B 6 ALA HB2 . 34443 1 46 . 1 . 1 6 6 ALA HB3 H 1 1.338 0.004 . 1 . . . . B 6 ALA HB3 . 34443 1 47 . 1 . 1 6 6 ALA CA C 13 50.391 0.010 . 1 . . . . B 6 ALA CA . 34443 1 48 . 1 . 1 6 6 ALA CB C 13 18.252 0.015 . 1 . . . . B 6 ALA CB . 34443 1 49 . 1 . 1 6 6 ALA N N 15 126.885 0.015 . 1 . . . . B 6 ALA N . 34443 1 50 . 1 . 1 7 7 PRO HA H 1 4.453 0.002 . 1 . . . . B 7 PRO HA . 34443 1 51 . 1 . 1 7 7 PRO HB2 H 1 1.716 0.005 . 2 . . . . B 7 PRO HB2 . 34443 1 52 . 1 . 1 7 7 PRO HB3 H 1 2.230 0.004 . 2 . . . . B 7 PRO HB3 . 34443 1 53 . 1 . 1 7 7 PRO HG2 H 1 1.945 0.004 . 1 . . . . B 7 PRO HG2 . 34443 1 54 . 1 . 1 7 7 PRO HG3 H 1 1.945 0.004 . 1 . . . . B 7 PRO HG3 . 34443 1 55 . 1 . 1 7 7 PRO HD2 H 1 3.548 0.006 . 2 . . . . B 7 PRO HD2 . 34443 1 56 . 1 . 1 7 7 PRO HD3 H 1 3.811 0.003 . 2 . . . . B 7 PRO HD3 . 34443 1 57 . 1 . 1 7 7 PRO C C 13 177.032 0.000 . 1 . . . . B 7 PRO C . 34443 1 58 . 1 . 1 7 7 PRO CA C 13 62.871 0.016 . 1 . . . . B 7 PRO CA . 34443 1 59 . 1 . 1 7 7 PRO CB C 13 31.887 0.031 . 1 . . . . B 7 PRO CB . 34443 1 60 . 1 . 1 7 7 PRO CG C 13 27.389 0.038 . 1 . . . . B 7 PRO CG . 34443 1 61 . 1 . 1 7 7 PRO CD C 13 50.536 0.037 . 1 . . . . B 7 PRO CD . 34443 1 62 . 1 . 1 8 8 THR H H 1 8.351 0.003 . 1 . . . . B 8 THR H . 34443 1 63 . 1 . 1 8 8 THR HA H 1 4.238 0.002 . 1 . . . . B 8 THR HA . 34443 1 64 . 1 . 1 8 8 THR HB H 1 4.209 0.003 . 1 . . . . B 8 THR HB . 34443 1 65 . 1 . 1 8 8 THR HG21 H 1 1.248 0.003 . 1 . . . . B 8 THR HG21 . 34443 1 66 . 1 . 1 8 8 THR HG22 H 1 1.248 0.003 . 1 . . . . B 8 THR HG22 . 34443 1 67 . 1 . 1 8 8 THR HG23 H 1 1.248 0.003 . 1 . . . . B 8 THR HG23 . 34443 1 68 . 1 . 1 8 8 THR C C 13 174.954 0.000 . 1 . . . . B 8 THR C . 34443 1 69 . 1 . 1 8 8 THR CA C 13 62.343 0.010 . 1 . . . . B 8 THR CA . 34443 1 70 . 1 . 1 8 8 THR CB C 13 69.914 0.015 . 1 . . . . B 8 THR CB . 34443 1 71 . 1 . 1 8 8 THR CG2 C 13 21.880 0.051 . 1 . . . . B 8 THR CG2 . 34443 1 72 . 1 . 1 8 8 THR N N 15 116.919 0.038 . 1 . . . . B 8 THR N . 34443 1 73 . 1 . 1 9 9 TRP H H 1 8.689 0.003 . 1 . . . . B 9 TRP H . 34443 1 74 . 1 . 1 9 9 TRP HA H 1 4.484 0.004 . 1 . . . . B 9 TRP HA . 34443 1 75 . 1 . 1 9 9 TRP HB2 H 1 2.885 0.000 . 1 . . . . B 9 TRP HB2 . 34443 1 76 . 1 . 1 9 9 TRP HB3 H 1 2.885 0.000 . 1 . . . . B 9 TRP HB3 . 34443 1 77 . 1 . 1 9 9 TRP HD1 H 1 6.979 0.000 . 1 . . . . B 9 TRP HD1 . 34443 1 78 . 1 . 1 9 9 TRP HE1 H 1 9.899 0.005 . 1 . . . . B 9 TRP HE1 . 34443 1 79 . 1 . 1 9 9 TRP HE3 H 1 7.077 0.000 . 1 . . . . B 9 TRP HE3 . 34443 1 80 . 1 . 1 9 9 TRP HZ2 H 1 6.922 0.003 . 1 . . . . B 9 TRP HZ2 . 34443 1 81 . 1 . 1 9 9 TRP HZ3 H 1 6.805 0.000 . 1 . . . . B 9 TRP HZ3 . 34443 1 82 . 1 . 1 9 9 TRP HH2 H 1 6.719 0.000 . 1 . . . . B 9 TRP HH2 . 34443 1 83 . 1 . 1 9 9 TRP C C 13 175.808 0.000 . 1 . . . . B 9 TRP C . 34443 1 84 . 1 . 1 9 9 TRP CA C 13 56.569 0.024 . 1 . . . . B 9 TRP CA . 34443 1 85 . 1 . 1 9 9 TRP CB C 13 29.309 0.050 . 1 . . . . B 9 TRP CB . 34443 1 86 . 1 . 1 9 9 TRP CD1 C 13 126.579 0.000 . 1 . . . . B 9 TRP CD1 . 34443 1 87 . 1 . 1 9 9 TRP CE3 C 13 119.375 0.000 . 1 . . . . B 9 TRP CE3 . 34443 1 88 . 1 . 1 9 9 TRP CZ2 C 13 112.426 0.017 . 1 . . . . B 9 TRP CZ2 . 34443 1 89 . 1 . 1 9 9 TRP CZ3 C 13 121.474 0.000 . 1 . . . . B 9 TRP CZ3 . 34443 1 90 . 1 . 1 9 9 TRP CH2 C 13 122.423 0.000 . 1 . . . . B 9 TRP CH2 . 34443 1 91 . 1 . 1 9 9 TRP N N 15 124.917 0.015 . 1 . . . . B 9 TRP N . 34443 1 92 . 1 . 1 9 9 TRP NE1 N 15 129.441 0.000 . 1 . . . . B 9 TRP NE1 . 34443 1 93 . 1 . 1 10 10 SER H H 1 8.816 0.003 . 1 . . . . B 10 SER H . 34443 1 94 . 1 . 1 10 10 SER HA H 1 4.946 0.003 . 1 . . . . B 10 SER HA . 34443 1 95 . 1 . 1 10 10 SER HB2 H 1 4.065 0.007 . 2 . . . . B 10 SER HB2 . 34443 1 96 . 1 . 1 10 10 SER HB3 H 1 4.480 0.006 . 2 . . . . B 10 SER HB3 . 34443 1 97 . 1 . 1 10 10 SER CA C 13 56.340 0.005 . 1 . . . . B 10 SER CA . 34443 1 98 . 1 . 1 10 10 SER CB C 13 63.423 0.105 . 1 . . . . B 10 SER CB . 34443 1 99 . 1 . 1 10 10 SER N N 15 122.031 0.019 . 1 . . . . B 10 SER N . 34443 1 100 . 1 . 1 11 11 PRO HA H 1 4.521 0.002 . 1 . . . . B 11 PRO HA . 34443 1 101 . 1 . 1 11 11 PRO HB2 H 1 1.999 0.005 . 2 . . . . B 11 PRO HB2 . 34443 1 102 . 1 . 1 11 11 PRO HB3 H 1 2.488 0.004 . 2 . . . . B 11 PRO HB3 . 34443 1 103 . 1 . 1 11 11 PRO HG2 H 1 2.151 0.002 . 2 . . . . B 11 PRO HG2 . 34443 1 104 . 1 . 1 11 11 PRO HG3 H 1 2.283 0.004 . 2 . . . . B 11 PRO HG3 . 34443 1 105 . 1 . 1 11 11 PRO HD2 H 1 3.990 0.004 . 1 . . . . B 11 PRO HD2 . 34443 1 106 . 1 . 1 11 11 PRO HD3 H 1 3.990 0.004 . 1 . . . . B 11 PRO HD3 . 34443 1 107 . 1 . 1 11 11 PRO C C 13 178.830 0.000 . 1 . . . . B 11 PRO C . 34443 1 108 . 1 . 1 11 11 PRO CA C 13 65.730 0.027 . 1 . . . . B 11 PRO CA . 34443 1 109 . 1 . 1 11 11 PRO CB C 13 31.755 0.022 . 1 . . . . B 11 PRO CB . 34443 1 110 . 1 . 1 11 11 PRO CG C 13 28.225 0.058 . 1 . . . . B 11 PRO CG . 34443 1 111 . 1 . 1 11 11 PRO CD C 13 50.363 0.018 . 1 . . . . B 11 PRO CD . 34443 1 112 . 1 . 1 12 12 GLU H H 1 8.974 0.003 . 1 . . . . B 12 GLU H . 34443 1 113 . 1 . 1 12 12 GLU HA H 1 4.140 0.006 . 1 . . . . B 12 GLU HA . 34443 1 114 . 1 . 1 12 12 GLU HB2 H 1 1.978 0.007 . 2 . . . . B 12 GLU HB2 . 34443 1 115 . 1 . 1 12 12 GLU HB3 H 1 2.129 0.011 . 2 . . . . B 12 GLU HB3 . 34443 1 116 . 1 . 1 12 12 GLU HG2 H 1 2.294 0.007 . 2 . . . . B 12 GLU HG2 . 34443 1 117 . 1 . 1 12 12 GLU HG3 H 1 2.450 0.007 . 2 . . . . B 12 GLU HG3 . 34443 1 118 . 1 . 1 12 12 GLU C C 13 178.178 0.000 . 1 . . . . B 12 GLU C . 34443 1 119 . 1 . 1 12 12 GLU CA C 13 60.228 0.071 . 1 . . . . B 12 GLU CA . 34443 1 120 . 1 . 1 12 12 GLU CB C 13 28.880 0.033 . 1 . . . . B 12 GLU CB . 34443 1 121 . 1 . 1 12 12 GLU CG C 13 36.885 0.076 . 1 . . . . B 12 GLU CG . 34443 1 122 . 1 . 1 12 12 GLU N N 15 118.519 0.019 . 1 . . . . B 12 GLU N . 34443 1 123 . 1 . 1 13 13 GLU H H 1 8.043 0.002 . 1 . . . . B 13 GLU H . 34443 1 124 . 1 . 1 13 13 GLU HA H 1 4.248 0.003 . 1 . . . . B 13 GLU HA . 34443 1 125 . 1 . 1 13 13 GLU HB2 H 1 2.405 0.013 . 1 . . . . B 13 GLU HB2 . 34443 1 126 . 1 . 1 13 13 GLU HB3 H 1 2.405 0.013 . 1 . . . . B 13 GLU HB3 . 34443 1 127 . 1 . 1 13 13 GLU HG2 H 1 2.422 0.001 . 1 . . . . B 13 GLU HG2 . 34443 1 128 . 1 . 1 13 13 GLU HG3 H 1 2.422 0.001 . 1 . . . . B 13 GLU HG3 . 34443 1 129 . 1 . 1 13 13 GLU C C 13 178.471 0.000 . 1 . . . . B 13 GLU C . 34443 1 130 . 1 . 1 13 13 GLU CA C 13 59.538 0.041 . 1 . . . . B 13 GLU CA . 34443 1 131 . 1 . 1 13 13 GLU CB C 13 30.978 0.017 . 1 . . . . B 13 GLU CB . 34443 1 132 . 1 . 1 13 13 GLU CG C 13 37.365 0.014 . 1 . . . . B 13 GLU CG . 34443 1 133 . 1 . 1 13 13 GLU N N 15 123.079 0.013 . 1 . . . . B 13 GLU N . 34443 1 134 . 1 . 1 14 14 GLU H H 1 8.722 0.003 . 1 . . . . B 14 GLU H . 34443 1 135 . 1 . 1 14 14 GLU HA H 1 3.982 0.004 . 1 . . . . B 14 GLU HA . 34443 1 136 . 1 . 1 14 14 GLU HB2 H 1 2.076 0.009 . 2 . . . . B 14 GLU HB2 . 34443 1 137 . 1 . 1 14 14 GLU HB3 H 1 2.397 0.008 . 2 . . . . B 14 GLU HB3 . 34443 1 138 . 1 . 1 14 14 GLU HG2 H 1 2.143 0.010 . 2 . . . . B 14 GLU HG2 . 34443 1 139 . 1 . 1 14 14 GLU HG3 H 1 2.846 0.005 . 2 . . . . B 14 GLU HG3 . 34443 1 140 . 1 . 1 14 14 GLU C C 13 177.462 0.000 . 1 . . . . B 14 GLU C . 34443 1 141 . 1 . 1 14 14 GLU CA C 13 60.574 0.043 . 1 . . . . B 14 GLU CA . 34443 1 142 . 1 . 1 14 14 GLU CB C 13 29.874 0.071 . 1 . . . . B 14 GLU CB . 34443 1 143 . 1 . 1 14 14 GLU CG C 13 39.077 0.074 . 1 . . . . B 14 GLU CG . 34443 1 144 . 1 . 1 14 14 GLU N N 15 118.292 0.014 . 1 . . . . B 14 GLU N . 34443 1 145 . 1 . 1 15 15 ALA H H 1 8.275 0.005 . 1 . . . . B 15 ALA H . 34443 1 146 . 1 . 1 15 15 ALA HA H 1 4.200 0.005 . 1 . . . . B 15 ALA HA . 34443 1 147 . 1 . 1 15 15 ALA HB1 H 1 1.566 0.006 . 1 . . . . B 15 ALA HB1 . 34443 1 148 . 1 . 1 15 15 ALA HB2 H 1 1.566 0.006 . 1 . . . . B 15 ALA HB2 . 34443 1 149 . 1 . 1 15 15 ALA HB3 H 1 1.566 0.006 . 1 . . . . B 15 ALA HB3 . 34443 1 150 . 1 . 1 15 15 ALA C C 13 179.029 0.000 . 1 . . . . B 15 ALA C . 34443 1 151 . 1 . 1 15 15 ALA CA C 13 55.207 0.013 . 1 . . . . B 15 ALA CA . 34443 1 152 . 1 . 1 15 15 ALA CB C 13 17.817 0.028 . 1 . . . . B 15 ALA CB . 34443 1 153 . 1 . 1 15 15 ALA N N 15 121.518 0.097 . 1 . . . . B 15 ALA N . 34443 1 154 . 1 . 1 16 16 HIS H H 1 7.988 0.007 . 1 . . . . B 16 HIS H . 34443 1 155 . 1 . 1 16 16 HIS HA H 1 4.726 0.002 . 1 . . . . B 16 HIS HA . 34443 1 156 . 1 . 1 16 16 HIS HB2 H 1 3.380 0.016 . 2 . . . . B 16 HIS HB2 . 34443 1 157 . 1 . 1 16 16 HIS HB3 H 1 3.357 0.008 . 2 . . . . B 16 HIS HB3 . 34443 1 158 . 1 . 1 16 16 HIS HD2 H 1 7.302 0.001 . 1 . . . . B 16 HIS HD2 . 34443 1 159 . 1 . 1 16 16 HIS HE1 H 1 8.312 0.005 . 1 . . . . B 16 HIS HE1 . 34443 1 160 . 1 . 1 16 16 HIS C C 13 176.641 0.000 . 1 . . . . B 16 HIS C . 34443 1 161 . 1 . 1 16 16 HIS CA C 13 57.381 0.016 . 1 . . . . B 16 HIS CA . 34443 1 162 . 1 . 1 16 16 HIS CB C 13 30.196 0.069 . 1 . . . . B 16 HIS CB . 34443 1 163 . 1 . 1 16 16 HIS CD2 C 13 119.384 0.047 . 1 . . . . B 16 HIS CD2 . 34443 1 164 . 1 . 1 16 16 HIS CE1 C 13 137.483 0.000 . 1 . . . . B 16 HIS CE1 . 34443 1 165 . 1 . 1 16 16 HIS N N 15 119.065 0.032 . 1 . . . . B 16 HIS N . 34443 1 166 . 1 . 1 17 17 LEU H H 1 8.775 0.003 . 1 . . . . B 17 LEU H . 34443 1 167 . 1 . 1 17 17 LEU HA H 1 3.961 0.005 . 1 . . . . B 17 LEU HA . 34443 1 168 . 1 . 1 17 17 LEU HB2 H 1 1.773 0.007 . 2 . . . . B 17 LEU HB2 . 34443 1 169 . 1 . 1 17 17 LEU HB3 H 1 2.212 0.014 . 2 . . . . B 17 LEU HB3 . 34443 1 170 . 1 . 1 17 17 LEU HG H 1 1.482 0.006 . 1 . . . . B 17 LEU HG . 34443 1 171 . 1 . 1 17 17 LEU HD11 H 1 1.068 0.003 . 2 . . . . B 17 LEU HD11 . 34443 1 172 . 1 . 1 17 17 LEU HD12 H 1 1.068 0.003 . 2 . . . . B 17 LEU HD12 . 34443 1 173 . 1 . 1 17 17 LEU HD13 H 1 1.068 0.003 . 2 . . . . B 17 LEU HD13 . 34443 1 174 . 1 . 1 17 17 LEU HD21 H 1 0.730 0.004 . 2 . . . . B 17 LEU HD21 . 34443 1 175 . 1 . 1 17 17 LEU HD22 H 1 0.730 0.004 . 2 . . . . B 17 LEU HD22 . 34443 1 176 . 1 . 1 17 17 LEU HD23 H 1 0.730 0.004 . 2 . . . . B 17 LEU HD23 . 34443 1 177 . 1 . 1 17 17 LEU C C 13 176.997 0.000 . 1 . . . . B 17 LEU C . 34443 1 178 . 1 . 1 17 17 LEU CA C 13 58.846 0.025 . 1 . . . . B 17 LEU CA . 34443 1 179 . 1 . 1 17 17 LEU CB C 13 41.708 0.092 . 1 . . . . B 17 LEU CB . 34443 1 180 . 1 . 1 17 17 LEU CG C 13 27.219 0.001 . 1 . . . . B 17 LEU CG . 34443 1 181 . 1 . 1 17 17 LEU CD1 C 13 25.542 0.020 . 2 . . . . B 17 LEU CD1 . 34443 1 182 . 1 . 1 17 17 LEU CD2 C 13 26.531 0.012 . 2 . . . . B 17 LEU CD2 . 34443 1 183 . 1 . 1 17 17 LEU N N 15 120.322 0.035 . 1 . . . . B 17 LEU N . 34443 1 184 . 1 . 1 18 18 ARG H H 1 8.314 0.004 . 1 . . . . B 18 ARG H . 34443 1 185 . 1 . 1 18 18 ARG HA H 1 3.778 0.012 . 1 . . . . B 18 ARG HA . 34443 1 186 . 1 . 1 18 18 ARG HB2 H 1 1.817 0.000 . 2 . . . . B 18 ARG HB2 . 34443 1 187 . 1 . 1 18 18 ARG HB3 H 1 2.066 0.000 . 2 . . . . B 18 ARG HB3 . 34443 1 188 . 1 . 1 18 18 ARG HG2 H 1 1.631 0.001 . 2 . . . . B 18 ARG HG2 . 34443 1 189 . 1 . 1 18 18 ARG HG3 H 1 1.706 0.001 . 2 . . . . B 18 ARG HG3 . 34443 1 190 . 1 . 1 18 18 ARG HD2 H 1 3.332 0.000 . 2 . . . . B 18 ARG HD2 . 34443 1 191 . 1 . 1 18 18 ARG HD3 H 1 3.276 0.000 . 2 . . . . B 18 ARG HD3 . 34443 1 192 . 1 . 1 18 18 ARG C C 13 176.897 0.000 . 1 . . . . B 18 ARG C . 34443 1 193 . 1 . 1 18 18 ARG CA C 13 60.107 0.055 . 1 . . . . B 18 ARG CA . 34443 1 194 . 1 . 1 18 18 ARG CB C 13 30.202 0.069 . 1 . . . . B 18 ARG CB . 34443 1 195 . 1 . 1 18 18 ARG CG C 13 27.863 0.002 . 1 . . . . B 18 ARG CG . 34443 1 196 . 1 . 1 18 18 ARG CD C 13 43.133 0.080 . 1 . . . . B 18 ARG CD . 34443 1 197 . 1 . 1 18 18 ARG N N 15 117.837 0.033 . 1 . . . . B 18 ARG N . 34443 1 198 . 1 . 1 19 19 GLU H H 1 7.991 0.005 . 1 . . . . B 19 GLU H . 34443 1 199 . 1 . 1 19 19 GLU HA H 1 4.025 0.003 . 1 . . . . B 19 GLU HA . 34443 1 200 . 1 . 1 19 19 GLU HB2 H 1 2.232 0.000 . 2 . . . . B 19 GLU HB2 . 34443 1 201 . 1 . 1 19 19 GLU HB3 H 1 2.291 0.000 . 2 . . . . B 19 GLU HB3 . 34443 1 202 . 1 . 1 19 19 GLU HG2 H 1 2.469 0.000 . 2 . . . . B 19 GLU HG2 . 34443 1 203 . 1 . 1 19 19 GLU HG3 H 1 2.369 0.000 . 2 . . . . B 19 GLU HG3 . 34443 1 204 . 1 . 1 19 19 GLU C C 13 178.730 0.000 . 1 . . . . B 19 GLU C . 34443 1 205 . 1 . 1 19 19 GLU CA C 13 59.466 0.084 . 1 . . . . B 19 GLU CA . 34443 1 206 . 1 . 1 19 19 GLU CB C 13 29.678 0.100 . 1 . . . . B 19 GLU CB . 34443 1 207 . 1 . 1 19 19 GLU CG C 13 35.983 0.014 . 1 . . . . B 19 GLU CG . 34443 1 208 . 1 . 1 19 19 GLU N N 15 117.665 0.059 . 1 . . . . B 19 GLU N . 34443 1 209 . 1 . 1 20 20 LEU H H 1 8.675 0.001 . 1 . . . . B 20 LEU H . 34443 1 210 . 1 . 1 20 20 LEU HA H 1 3.959 0.004 . 1 . . . . B 20 LEU HA . 34443 1 211 . 1 . 1 20 20 LEU HB2 H 1 1.143 0.012 . 2 . . . . B 20 LEU HB2 . 34443 1 212 . 1 . 1 20 20 LEU HB3 H 1 2.040 0.016 . 2 . . . . B 20 LEU HB3 . 34443 1 213 . 1 . 1 20 20 LEU HG H 1 1.687 0.005 . 1 . . . . B 20 LEU HG . 34443 1 214 . 1 . 1 20 20 LEU HD11 H 1 0.597 0.006 . 2 . . . . B 20 LEU HD11 . 34443 1 215 . 1 . 1 20 20 LEU HD12 H 1 0.597 0.006 . 2 . . . . B 20 LEU HD12 . 34443 1 216 . 1 . 1 20 20 LEU HD13 H 1 0.597 0.006 . 2 . . . . B 20 LEU HD13 . 34443 1 217 . 1 . 1 20 20 LEU HD21 H 1 0.664 0.006 . 2 . . . . B 20 LEU HD21 . 34443 1 218 . 1 . 1 20 20 LEU HD22 H 1 0.664 0.006 . 2 . . . . B 20 LEU HD22 . 34443 1 219 . 1 . 1 20 20 LEU HD23 H 1 0.664 0.006 . 2 . . . . B 20 LEU HD23 . 34443 1 220 . 1 . 1 20 20 LEU C C 13 178.685 0.000 . 1 . . . . B 20 LEU C . 34443 1 221 . 1 . 1 20 20 LEU CA C 13 57.497 0.030 . 1 . . . . B 20 LEU CA . 34443 1 222 . 1 . 1 20 20 LEU CB C 13 44.308 0.136 . 1 . . . . B 20 LEU CB . 34443 1 223 . 1 . 1 20 20 LEU CG C 13 26.655 0.014 . 1 . . . . B 20 LEU CG . 34443 1 224 . 1 . 1 20 20 LEU CD1 C 13 26.591 0.058 . 2 . . . . B 20 LEU CD1 . 34443 1 225 . 1 . 1 20 20 LEU CD2 C 13 22.935 0.013 . 2 . . . . B 20 LEU CD2 . 34443 1 226 . 1 . 1 20 20 LEU N N 15 119.378 0.019 . 1 . . . . B 20 LEU N . 34443 1 227 . 1 . 1 21 21 TYR H H 1 8.942 0.005 . 1 . . . . B 21 TYR H . 34443 1 228 . 1 . 1 21 21 TYR HA H 1 4.008 0.003 . 1 . . . . B 21 TYR HA . 34443 1 229 . 1 . 1 21 21 TYR HB2 H 1 3.039 0.004 . 1 . . . . B 21 TYR HB2 . 34443 1 230 . 1 . 1 21 21 TYR HB3 H 1 3.039 0.004 . 1 . . . . B 21 TYR HB3 . 34443 1 231 . 1 . 1 21 21 TYR HD1 H 1 6.910 0.000 . 1 . . . . B 21 TYR HD1 . 34443 1 232 . 1 . 1 21 21 TYR HD2 H 1 6.910 0.000 . 1 . . . . B 21 TYR HD2 . 34443 1 233 . 1 . 1 21 21 TYR HE1 H 1 6.846 0.000 . 1 . . . . B 21 TYR HE1 . 34443 1 234 . 1 . 1 21 21 TYR HE2 H 1 6.846 0.000 . 1 . . . . B 21 TYR HE2 . 34443 1 235 . 1 . 1 21 21 TYR C C 13 176.620 0.000 . 1 . . . . B 21 TYR C . 34443 1 236 . 1 . 1 21 21 TYR CA C 13 62.324 0.020 . 1 . . . . B 21 TYR CA . 34443 1 237 . 1 . 1 21 21 TYR CB C 13 38.838 0.065 . 1 . . . . B 21 TYR CB . 34443 1 238 . 1 . 1 21 21 TYR CD1 C 13 132.870 0.000 . 1 . . . . B 21 TYR CD1 . 34443 1 239 . 1 . 1 21 21 TYR CD2 C 13 132.870 0.000 . 1 . . . . B 21 TYR CD2 . 34443 1 240 . 1 . 1 21 21 TYR CE1 C 13 118.363 0.027 . 1 . . . . B 21 TYR CE1 . 34443 1 241 . 1 . 1 21 21 TYR CE2 C 13 118.363 0.027 . 1 . . . . B 21 TYR CE2 . 34443 1 242 . 1 . 1 21 21 TYR N N 15 121.098 0.050 . 1 . . . . B 21 TYR N . 34443 1 243 . 1 . 1 22 22 LEU H H 1 8.558 0.003 . 1 . . . . B 22 LEU H . 34443 1 244 . 1 . 1 22 22 LEU HA H 1 3.714 0.004 . 1 . . . . B 22 LEU HA . 34443 1 245 . 1 . 1 22 22 LEU HB2 H 1 1.454 0.004 . 2 . . . . B 22 LEU HB2 . 34443 1 246 . 1 . 1 22 22 LEU HB3 H 1 1.917 0.004 . 2 . . . . B 22 LEU HB3 . 34443 1 247 . 1 . 1 22 22 LEU HG H 1 2.060 0.003 . 1 . . . . B 22 LEU HG . 34443 1 248 . 1 . 1 22 22 LEU HD11 H 1 0.944 0.005 . 2 . . . . B 22 LEU HD11 . 34443 1 249 . 1 . 1 22 22 LEU HD12 H 1 0.944 0.005 . 2 . . . . B 22 LEU HD12 . 34443 1 250 . 1 . 1 22 22 LEU HD13 H 1 0.944 0.005 . 2 . . . . B 22 LEU HD13 . 34443 1 251 . 1 . 1 22 22 LEU HD21 H 1 0.942 0.004 . 2 . . . . B 22 LEU HD21 . 34443 1 252 . 1 . 1 22 22 LEU HD22 H 1 0.942 0.004 . 2 . . . . B 22 LEU HD22 . 34443 1 253 . 1 . 1 22 22 LEU HD23 H 1 0.942 0.004 . 2 . . . . B 22 LEU HD23 . 34443 1 254 . 1 . 1 22 22 LEU C C 13 178.360 0.000 . 1 . . . . B 22 LEU C . 34443 1 255 . 1 . 1 22 22 LEU CA C 13 57.970 0.032 . 1 . . . . B 22 LEU CA . 34443 1 256 . 1 . 1 22 22 LEU CB C 13 41.102 0.041 . 1 . . . . B 22 LEU CB . 34443 1 257 . 1 . 1 22 22 LEU CG C 13 27.129 0.002 . 1 . . . . B 22 LEU CG . 34443 1 258 . 1 . 1 22 22 LEU CD1 C 13 25.592 0.009 . 2 . . . . B 22 LEU CD1 . 34443 1 259 . 1 . 1 22 22 LEU CD2 C 13 22.157 0.032 . 2 . . . . B 22 LEU CD2 . 34443 1 260 . 1 . 1 22 22 LEU N N 15 117.493 0.079 . 1 . . . . B 22 LEU N . 34443 1 261 . 1 . 1 23 23 ALA H H 1 7.848 0.004 . 1 . . . . B 23 ALA H . 34443 1 262 . 1 . 1 23 23 ALA HA H 1 4.235 0.003 . 1 . . . . B 23 ALA HA . 34443 1 263 . 1 . 1 23 23 ALA HB1 H 1 1.434 0.008 . 1 . . . . B 23 ALA HB1 . 34443 1 264 . 1 . 1 23 23 ALA HB2 H 1 1.434 0.008 . 1 . . . . B 23 ALA HB2 . 34443 1 265 . 1 . 1 23 23 ALA HB3 H 1 1.434 0.008 . 1 . . . . B 23 ALA HB3 . 34443 1 266 . 1 . 1 23 23 ALA C C 13 177.861 0.000 . 1 . . . . B 23 ALA C . 34443 1 267 . 1 . 1 23 23 ALA CA C 13 53.798 0.009 . 1 . . . . B 23 ALA CA . 34443 1 268 . 1 . 1 23 23 ALA CB C 13 19.334 0.031 . 1 . . . . B 23 ALA CB . 34443 1 269 . 1 . 1 23 23 ALA N N 15 117.316 0.041 . 1 . . . . B 23 ALA N . 34443 1 270 . 1 . 1 24 24 ASN H H 1 7.282 0.003 . 1 . . . . B 24 ASN H . 34443 1 271 . 1 . 1 24 24 ASN HA H 1 4.935 0.004 . 1 . . . . B 24 ASN HA . 34443 1 272 . 1 . 1 24 24 ASN HB2 H 1 2.501 0.000 . 2 . . . . B 24 ASN HB2 . 34443 1 273 . 1 . 1 24 24 ASN HB3 H 1 2.575 0.001 . 2 . . . . B 24 ASN HB3 . 34443 1 274 . 1 . 1 24 24 ASN HD21 H 1 7.490 0.002 . 1 . . . . B 24 ASN HD21 . 34443 1 275 . 1 . 1 24 24 ASN HD22 H 1 8.109 0.021 . 1 . . . . B 24 ASN HD22 . 34443 1 276 . 1 . 1 24 24 ASN C C 13 176.128 0.000 . 1 . . . . B 24 ASN C . 34443 1 277 . 1 . 1 24 24 ASN CA C 13 54.328 0.016 . 1 . . . . B 24 ASN CA . 34443 1 278 . 1 . 1 24 24 ASN CB C 13 41.975 0.012 . 1 . . . . B 24 ASN CB . 34443 1 279 . 1 . 1 24 24 ASN N N 15 115.351 0.000 . 1 . . . . B 24 ASN N . 34443 1 280 . 1 . 1 24 24 ASN ND2 N 15 115.339 0.048 . 1 . . . . B 24 ASN ND2 . 34443 1 281 . 1 . 1 25 25 LYS H H 1 8.043 0.005 . 1 . . . . B 25 LYS H . 34443 1 282 . 1 . 1 25 25 LYS HA H 1 3.851 0.009 . 1 . . . . B 25 LYS HA . 34443 1 283 . 1 . 1 25 25 LYS HB2 H 1 1.141 0.005 . 2 . . . . B 25 LYS HB2 . 34443 1 284 . 1 . 1 25 25 LYS HB3 H 1 1.487 0.004 . 2 . . . . B 25 LYS HB3 . 34443 1 285 . 1 . 1 25 25 LYS HG2 H 1 1.147 0.020 . 2 . . . . B 25 LYS HG2 . 34443 1 286 . 1 . 1 25 25 LYS HG3 H 1 1.218 0.016 . 2 . . . . B 25 LYS HG3 . 34443 1 287 . 1 . 1 25 25 LYS HD2 H 1 1.342 0.005 . 1 . . . . B 25 LYS HD2 . 34443 1 288 . 1 . 1 25 25 LYS HD3 H 1 1.342 0.005 . 1 . . . . B 25 LYS HD3 . 34443 1 289 . 1 . 1 25 25 LYS HE2 H 1 2.987 0.010 . 1 . . . . B 25 LYS HE2 . 34443 1 290 . 1 . 1 25 25 LYS HE3 H 1 2.987 0.010 . 1 . . . . B 25 LYS HE3 . 34443 1 291 . 1 . 1 25 25 LYS C C 13 175.956 0.000 . 1 . . . . B 25 LYS C . 34443 1 292 . 1 . 1 25 25 LYS CA C 13 59.344 0.035 . 1 . . . . B 25 LYS CA . 34443 1 293 . 1 . 1 25 25 LYS CB C 13 30.509 0.029 . 1 . . . . B 25 LYS CB . 34443 1 294 . 1 . 1 25 25 LYS CG C 13 22.865 0.009 . 1 . . . . B 25 LYS CG . 34443 1 295 . 1 . 1 25 25 LYS CD C 13 29.343 0.020 . 1 . . . . B 25 LYS CD . 34443 1 296 . 1 . 1 25 25 LYS CE C 13 41.977 0.000 . 1 . . . . B 25 LYS CE . 34443 1 297 . 1 . 1 25 25 LYS N N 15 121.399 0.029 . 1 . . . . B 25 LYS N . 34443 1 298 . 1 . 1 26 26 ASP H H 1 8.544 0.002 . 1 . . . . B 26 ASP H . 34443 1 299 . 1 . 1 26 26 ASP HA H 1 4.824 0.005 . 1 . . . . B 26 ASP HA . 34443 1 300 . 1 . 1 26 26 ASP HB2 H 1 2.485 0.005 . 2 . . . . B 26 ASP HB2 . 34443 1 301 . 1 . 1 26 26 ASP HB3 H 1 2.893 0.002 . 2 . . . . B 26 ASP HB3 . 34443 1 302 . 1 . 1 26 26 ASP C C 13 175.665 0.000 . 1 . . . . B 26 ASP C . 34443 1 303 . 1 . 1 26 26 ASP CA C 13 54.440 0.009 . 1 . . . . B 26 ASP CA . 34443 1 304 . 1 . 1 26 26 ASP CB C 13 40.830 0.035 . 1 . . . . B 26 ASP CB . 34443 1 305 . 1 . 1 26 26 ASP N N 15 118.288 0.021 . 1 . . . . B 26 ASP N . 34443 1 306 . 1 . 1 27 27 VAL H H 1 7.313 0.003 . 1 . . . . B 27 VAL H . 34443 1 307 . 1 . 1 27 27 VAL HA H 1 3.890 0.003 . 1 . . . . B 27 VAL HA . 34443 1 308 . 1 . 1 27 27 VAL HB H 1 2.108 0.007 . 1 . . . . B 27 VAL HB . 34443 1 309 . 1 . 1 27 27 VAL HG11 H 1 0.968 0.003 . 2 . . . . B 27 VAL HG11 . 34443 1 310 . 1 . 1 27 27 VAL HG12 H 1 0.968 0.003 . 2 . . . . B 27 VAL HG12 . 34443 1 311 . 1 . 1 27 27 VAL HG13 H 1 0.968 0.003 . 2 . . . . B 27 VAL HG13 . 34443 1 312 . 1 . 1 27 27 VAL HG21 H 1 0.880 0.002 . 2 . . . . B 27 VAL HG21 . 34443 1 313 . 1 . 1 27 27 VAL HG22 H 1 0.880 0.002 . 2 . . . . B 27 VAL HG22 . 34443 1 314 . 1 . 1 27 27 VAL HG23 H 1 0.880 0.002 . 2 . . . . B 27 VAL HG23 . 34443 1 315 . 1 . 1 27 27 VAL C C 13 176.079 0.000 . 1 . . . . B 27 VAL C . 34443 1 316 . 1 . 1 27 27 VAL CA C 13 63.044 0.013 . 1 . . . . B 27 VAL CA . 34443 1 317 . 1 . 1 27 27 VAL CB C 13 31.640 0.017 . 1 . . . . B 27 VAL CB . 34443 1 318 . 1 . 1 27 27 VAL CG1 C 13 21.452 0.010 . 2 . . . . B 27 VAL CG1 . 34443 1 319 . 1 . 1 27 27 VAL CG2 C 13 21.283 0.008 . 2 . . . . B 27 VAL CG2 . 34443 1 320 . 1 . 1 27 27 VAL N N 15 121.449 0.024 . 1 . . . . B 27 VAL N . 34443 1 321 . 1 . 1 28 28 GLU H H 1 8.630 0.003 . 1 . . . . B 28 GLU H . 34443 1 322 . 1 . 1 28 28 GLU HA H 1 4.148 0.002 . 1 . . . . B 28 GLU HA . 34443 1 323 . 1 . 1 28 28 GLU HB2 H 1 1.987 0.006 . 1 . . . . B 28 GLU HB2 . 34443 1 324 . 1 . 1 28 28 GLU HB3 H 1 1.987 0.006 . 1 . . . . B 28 GLU HB3 . 34443 1 325 . 1 . 1 28 28 GLU HG2 H 1 2.251 0.001 . 2 . . . . B 28 GLU HG2 . 34443 1 326 . 1 . 1 28 28 GLU HG3 H 1 2.302 0.004 . 2 . . . . B 28 GLU HG3 . 34443 1 327 . 1 . 1 28 28 GLU C C 13 177.175 0.000 . 1 . . . . B 28 GLU C . 34443 1 328 . 1 . 1 28 28 GLU CA C 13 57.529 0.025 . 1 . . . . B 28 GLU CA . 34443 1 329 . 1 . 1 28 28 GLU CB C 13 29.953 0.051 . 1 . . . . B 28 GLU CB . 34443 1 330 . 1 . 1 28 28 GLU CG C 13 36.276 0.039 . 1 . . . . B 28 GLU CG . 34443 1 331 . 1 . 1 28 28 GLU N N 15 129.190 0.023 . 1 . . . . B 28 GLU N . 34443 1 332 . 1 . 1 29 29 GLY H H 1 8.853 0.003 . 1 . . . . B 29 GLY H . 34443 1 333 . 1 . 1 29 29 GLY HA2 H 1 3.752 0.006 . 2 . . . . B 29 GLY HA2 . 34443 1 334 . 1 . 1 29 29 GLY HA3 H 1 4.088 0.004 . 2 . . . . B 29 GLY HA3 . 34443 1 335 . 1 . 1 29 29 GLY C C 13 174.220 0.000 . 1 . . . . B 29 GLY C . 34443 1 336 . 1 . 1 29 29 GLY CA C 13 45.862 0.026 . 1 . . . . B 29 GLY CA . 34443 1 337 . 1 . 1 29 29 GLY N N 15 111.501 0.012 . 1 . . . . B 29 GLY N . 34443 1 338 . 1 . 1 30 30 GLN H H 1 7.497 0.003 . 1 . . . . B 30 GLN H . 34443 1 339 . 1 . 1 30 30 GLN HA H 1 4.571 0.003 . 1 . . . . B 30 GLN HA . 34443 1 340 . 1 . 1 30 30 GLN HB2 H 1 1.847 0.007 . 2 . . . . B 30 GLN HB2 . 34443 1 341 . 1 . 1 30 30 GLN HB3 H 1 2.052 0.003 . 2 . . . . B 30 GLN HB3 . 34443 1 342 . 1 . 1 30 30 GLN HG2 H 1 2.145 0.006 . 2 . . . . B 30 GLN HG2 . 34443 1 343 . 1 . 1 30 30 GLN HG3 H 1 2.208 0.006 . 2 . . . . B 30 GLN HG3 . 34443 1 344 . 1 . 1 30 30 GLN HE21 H 1 7.762 0.002 . 1 . . . . B 30 GLN HE21 . 34443 1 345 . 1 . 1 30 30 GLN HE22 H 1 7.041 0.002 . 1 . . . . B 30 GLN HE22 . 34443 1 346 . 1 . 1 30 30 GLN C C 13 175.039 0.000 . 1 . . . . B 30 GLN C . 34443 1 347 . 1 . 1 30 30 GLN CA C 13 54.201 0.035 . 1 . . . . B 30 GLN CA . 34443 1 348 . 1 . 1 30 30 GLN CB C 13 31.707 0.039 . 1 . . . . B 30 GLN CB . 34443 1 349 . 1 . 1 30 30 GLN CG C 13 33.986 0.014 . 1 . . . . B 30 GLN CG . 34443 1 350 . 1 . 1 30 30 GLN N N 15 118.392 0.020 . 1 . . . . B 30 GLN N . 34443 1 351 . 1 . 1 30 30 GLN NE2 N 15 112.258 0.012 . 1 . . . . B 30 GLN NE2 . 34443 1 352 . 1 . 1 31 31 ASP H H 1 8.873 0.003 . 1 . . . . B 31 ASP H . 34443 1 353 . 1 . 1 31 31 ASP HA H 1 4.791 0.007 . 1 . . . . B 31 ASP HA . 34443 1 354 . 1 . 1 31 31 ASP HB2 H 1 2.683 0.008 . 2 . . . . B 31 ASP HB2 . 34443 1 355 . 1 . 1 31 31 ASP HB3 H 1 2.844 0.012 . 2 . . . . B 31 ASP HB3 . 34443 1 356 . 1 . 1 31 31 ASP C C 13 176.850 0.000 . 1 . . . . B 31 ASP C . 34443 1 357 . 1 . 1 31 31 ASP CA C 13 53.837 0.011 . 1 . . . . B 31 ASP CA . 34443 1 358 . 1 . 1 31 31 ASP CB C 13 42.307 0.027 . 1 . . . . B 31 ASP CB . 34443 1 359 . 1 . 1 31 31 ASP N N 15 126.373 0.008 . 1 . . . . B 31 ASP N . 34443 1 360 . 1 . 1 32 32 VAL H H 1 9.100 0.004 . 1 . . . . B 32 VAL H . 34443 1 361 . 1 . 1 32 32 VAL HA H 1 3.959 0.004 . 1 . . . . B 32 VAL HA . 34443 1 362 . 1 . 1 32 32 VAL HB H 1 2.359 0.005 . 1 . . . . B 32 VAL HB . 34443 1 363 . 1 . 1 32 32 VAL HG11 H 1 1.292 0.003 . 2 . . . . B 32 VAL HG11 . 34443 1 364 . 1 . 1 32 32 VAL HG12 H 1 1.292 0.003 . 2 . . . . B 32 VAL HG12 . 34443 1 365 . 1 . 1 32 32 VAL HG13 H 1 1.292 0.003 . 2 . . . . B 32 VAL HG13 . 34443 1 366 . 1 . 1 32 32 VAL HG21 H 1 1.031 0.003 . 2 . . . . B 32 VAL HG21 . 34443 1 367 . 1 . 1 32 32 VAL HG22 H 1 1.031 0.003 . 2 . . . . B 32 VAL HG22 . 34443 1 368 . 1 . 1 32 32 VAL HG23 H 1 1.031 0.003 . 2 . . . . B 32 VAL HG23 . 34443 1 369 . 1 . 1 32 32 VAL C C 13 175.829 0.000 . 1 . . . . B 32 VAL C . 34443 1 370 . 1 . 1 32 32 VAL CA C 13 65.023 0.033 . 1 . . . . B 32 VAL CA . 34443 1 371 . 1 . 1 32 32 VAL CB C 13 31.855 0.081 . 1 . . . . B 32 VAL CB . 34443 1 372 . 1 . 1 32 32 VAL CG1 C 13 20.555 0.009 . 2 . . . . B 32 VAL CG1 . 34443 1 373 . 1 . 1 32 32 VAL CG2 C 13 23.117 0.014 . 2 . . . . B 32 VAL CG2 . 34443 1 374 . 1 . 1 32 32 VAL N N 15 129.136 0.014 . 1 . . . . B 32 VAL N . 34443 1 375 . 1 . 1 33 33 VAL H H 1 7.982 0.006 . 1 . . . . B 33 VAL H . 34443 1 376 . 1 . 1 33 33 VAL HA H 1 3.578 0.005 . 1 . . . . B 33 VAL HA . 34443 1 377 . 1 . 1 33 33 VAL HB H 1 2.334 0.004 . 1 . . . . B 33 VAL HB . 34443 1 378 . 1 . 1 33 33 VAL HG11 H 1 0.948 0.007 . 2 . . . . B 33 VAL HG11 . 34443 1 379 . 1 . 1 33 33 VAL HG12 H 1 0.948 0.007 . 2 . . . . B 33 VAL HG12 . 34443 1 380 . 1 . 1 33 33 VAL HG13 H 1 0.948 0.007 . 2 . . . . B 33 VAL HG13 . 34443 1 381 . 1 . 1 33 33 VAL HG21 H 1 0.941 0.002 . 2 . . . . B 33 VAL HG21 . 34443 1 382 . 1 . 1 33 33 VAL HG22 H 1 0.941 0.002 . 2 . . . . B 33 VAL HG22 . 34443 1 383 . 1 . 1 33 33 VAL HG23 H 1 0.941 0.002 . 2 . . . . B 33 VAL HG23 . 34443 1 384 . 1 . 1 33 33 VAL C C 13 177.231 0.000 . 1 . . . . B 33 VAL C . 34443 1 385 . 1 . 1 33 33 VAL CA C 13 67.061 0.025 . 1 . . . . B 33 VAL CA . 34443 1 386 . 1 . 1 33 33 VAL CB C 13 30.671 0.034 . 1 . . . . B 33 VAL CB . 34443 1 387 . 1 . 1 33 33 VAL CG1 C 13 22.227 0.029 . 2 . . . . B 33 VAL CG1 . 34443 1 388 . 1 . 1 33 33 VAL CG2 C 13 24.083 0.023 . 2 . . . . B 33 VAL CG2 . 34443 1 389 . 1 . 1 33 33 VAL N N 15 121.530 0.026 . 1 . . . . B 33 VAL N . 34443 1 390 . 1 . 1 34 34 GLU H H 1 8.013 0.004 . 1 . . . . B 34 GLU H . 34443 1 391 . 1 . 1 34 34 GLU HA H 1 3.981 0.001 . 1 . . . . B 34 GLU HA . 34443 1 392 . 1 . 1 34 34 GLU HB2 H 1 2.291 0.000 . 2 . . . . B 34 GLU HB2 . 34443 1 393 . 1 . 1 34 34 GLU HB3 H 1 2.232 0.000 . 2 . . . . B 34 GLU HB3 . 34443 1 394 . 1 . 1 34 34 GLU HG2 H 1 2.252 0.000 . 2 . . . . B 34 GLU HG2 . 34443 1 395 . 1 . 1 34 34 GLU HG3 H 1 2.417 0.000 . 2 . . . . B 34 GLU HG3 . 34443 1 396 . 1 . 1 34 34 GLU C C 13 178.245 0.000 . 1 . . . . B 34 GLU C . 34443 1 397 . 1 . 1 34 34 GLU CA C 13 59.192 0.031 . 1 . . . . B 34 GLU CA . 34443 1 398 . 1 . 1 34 34 GLU CB C 13 29.496 0.125 . 1 . . . . B 34 GLU CB . 34443 1 399 . 1 . 1 34 34 GLU CG C 13 36.255 0.019 . 1 . . . . B 34 GLU CG . 34443 1 400 . 1 . 1 34 34 GLU N N 15 119.954 0.025 . 1 . . . . B 34 GLU N . 34443 1 401 . 1 . 1 35 35 ALA H H 1 7.878 0.002 . 1 . . . . B 35 ALA H . 34443 1 402 . 1 . 1 35 35 ALA HA H 1 4.189 0.007 . 1 . . . . B 35 ALA HA . 34443 1 403 . 1 . 1 35 35 ALA HB1 H 1 1.416 0.001 . 1 . . . . B 35 ALA HB1 . 34443 1 404 . 1 . 1 35 35 ALA HB2 H 1 1.416 0.001 . 1 . . . . B 35 ALA HB2 . 34443 1 405 . 1 . 1 35 35 ALA HB3 H 1 1.416 0.001 . 1 . . . . B 35 ALA HB3 . 34443 1 406 . 1 . 1 35 35 ALA C C 13 178.742 0.000 . 1 . . . . B 35 ALA C . 34443 1 407 . 1 . 1 35 35 ALA CA C 13 55.123 0.015 . 1 . . . . B 35 ALA CA . 34443 1 408 . 1 . 1 35 35 ALA CB C 13 17.812 0.039 . 1 . . . . B 35 ALA CB . 34443 1 409 . 1 . 1 35 35 ALA N N 15 121.688 0.067 . 1 . . . . B 35 ALA N . 34443 1 410 . 1 . 1 36 36 ILE H H 1 8.112 0.008 . 1 . . . . B 36 ILE H . 34443 1 411 . 1 . 1 36 36 ILE HA H 1 3.655 0.008 . 1 . . . . B 36 ILE HA . 34443 1 412 . 1 . 1 36 36 ILE HB H 1 2.097 0.008 . 1 . . . . B 36 ILE HB . 34443 1 413 . 1 . 1 36 36 ILE HG12 H 1 2.244 0.011 . 2 . . . . B 36 ILE HG12 . 34443 1 414 . 1 . 1 36 36 ILE HG13 H 1 2.108 0.011 . 2 . . . . B 36 ILE HG13 . 34443 1 415 . 1 . 1 36 36 ILE HG21 H 1 0.982 0.011 . 1 . . . . B 36 ILE HG21 . 34443 1 416 . 1 . 1 36 36 ILE HG22 H 1 0.982 0.011 . 1 . . . . B 36 ILE HG22 . 34443 1 417 . 1 . 1 36 36 ILE HG23 H 1 0.982 0.011 . 1 . . . . B 36 ILE HG23 . 34443 1 418 . 1 . 1 36 36 ILE HD11 H 1 0.993 0.014 . 1 . . . . B 36 ILE HD11 . 34443 1 419 . 1 . 1 36 36 ILE HD12 H 1 0.993 0.014 . 1 . . . . B 36 ILE HD12 . 34443 1 420 . 1 . 1 36 36 ILE HD13 H 1 0.993 0.014 . 1 . . . . B 36 ILE HD13 . 34443 1 421 . 1 . 1 36 36 ILE C C 13 177.411 0.000 . 1 . . . . B 36 ILE C . 34443 1 422 . 1 . 1 36 36 ILE CA C 13 65.821 0.049 . 1 . . . . B 36 ILE CA . 34443 1 423 . 1 . 1 36 36 ILE CB C 13 38.698 0.058 . 1 . . . . B 36 ILE CB . 34443 1 424 . 1 . 1 36 36 ILE CG1 C 13 28.998 0.034 . 1 . . . . B 36 ILE CG1 . 34443 1 425 . 1 . 1 36 36 ILE CG2 C 13 18.897 0.003 . 1 . . . . B 36 ILE CG2 . 34443 1 426 . 1 . 1 36 36 ILE CD1 C 13 15.490 0.062 . 1 . . . . B 36 ILE CD1 . 34443 1 427 . 1 . 1 36 36 ILE N N 15 118.019 0.033 . 1 . . . . B 36 ILE N . 34443 1 428 . 1 . 1 37 37 LEU H H 1 8.593 0.004 . 1 . . . . B 37 LEU H . 34443 1 429 . 1 . 1 37 37 LEU HA H 1 3.932 0.007 . 1 . . . . B 37 LEU HA . 34443 1 430 . 1 . 1 37 37 LEU HB2 H 1 1.556 0.003 . 2 . . . . B 37 LEU HB2 . 34443 1 431 . 1 . 1 37 37 LEU HB3 H 1 1.846 0.003 . 2 . . . . B 37 LEU HB3 . 34443 1 432 . 1 . 1 37 37 LEU HG H 1 1.663 0.000 . 1 . . . . B 37 LEU HG . 34443 1 433 . 1 . 1 37 37 LEU HD11 H 1 0.826 0.005 . 2 . . . . B 37 LEU HD11 . 34443 1 434 . 1 . 1 37 37 LEU HD12 H 1 0.826 0.005 . 2 . . . . B 37 LEU HD12 . 34443 1 435 . 1 . 1 37 37 LEU HD13 H 1 0.826 0.005 . 2 . . . . B 37 LEU HD13 . 34443 1 436 . 1 . 1 37 37 LEU HD21 H 1 0.840 0.009 . 2 . . . . B 37 LEU HD21 . 34443 1 437 . 1 . 1 37 37 LEU HD22 H 1 0.840 0.009 . 2 . . . . B 37 LEU HD22 . 34443 1 438 . 1 . 1 37 37 LEU HD23 H 1 0.840 0.009 . 2 . . . . B 37 LEU HD23 . 34443 1 439 . 1 . 1 37 37 LEU C C 13 177.673 0.000 . 1 . . . . B 37 LEU C . 34443 1 440 . 1 . 1 37 37 LEU CA C 13 57.977 0.032 . 1 . . . . B 37 LEU CA . 34443 1 441 . 1 . 1 37 37 LEU CB C 13 42.177 0.078 . 1 . . . . B 37 LEU CB . 34443 1 442 . 1 . 1 37 37 LEU CG C 13 27.153 0.002 . 1 . . . . B 37 LEU CG . 34443 1 443 . 1 . 1 37 37 LEU CD1 C 13 25.755 0.011 . 2 . . . . B 37 LEU CD1 . 34443 1 444 . 1 . 1 37 37 LEU CD2 C 13 24.215 0.004 . 2 . . . . B 37 LEU CD2 . 34443 1 445 . 1 . 1 37 37 LEU N N 15 119.724 0.028 . 1 . . . . B 37 LEU N . 34443 1 446 . 1 . 1 38 38 ALA H H 1 7.594 0.005 . 1 . . . . B 38 ALA H . 34443 1 447 . 1 . 1 38 38 ALA HA H 1 4.073 0.004 . 1 . . . . B 38 ALA HA . 34443 1 448 . 1 . 1 38 38 ALA HB1 H 1 1.269 0.009 . 1 . . . . B 38 ALA HB1 . 34443 1 449 . 1 . 1 38 38 ALA HB2 H 1 1.269 0.009 . 1 . . . . B 38 ALA HB2 . 34443 1 450 . 1 . 1 38 38 ALA HB3 H 1 1.269 0.009 . 1 . . . . B 38 ALA HB3 . 34443 1 451 . 1 . 1 38 38 ALA C C 13 177.475 0.000 . 1 . . . . B 38 ALA C . 34443 1 452 . 1 . 1 38 38 ALA CA C 13 53.852 0.048 . 1 . . . . B 38 ALA CA . 34443 1 453 . 1 . 1 38 38 ALA CB C 13 18.330 0.022 . 1 . . . . B 38 ALA CB . 34443 1 454 . 1 . 1 38 38 ALA N N 15 118.147 0.030 . 1 . . . . B 38 ALA N . 34443 1 455 . 1 . 1 39 39 HIS H H 1 7.539 0.003 . 1 . . . . B 39 HIS H . 34443 1 456 . 1 . 1 39 39 HIS HA H 1 4.730 0.003 . 1 . . . . B 39 HIS HA . 34443 1 457 . 1 . 1 39 39 HIS HB2 H 1 2.856 0.001 . 2 . . . . B 39 HIS HB2 . 34443 1 458 . 1 . 1 39 39 HIS HB3 H 1 3.464 0.006 . 2 . . . . B 39 HIS HB3 . 34443 1 459 . 1 . 1 39 39 HIS HD2 H 1 7.410 0.006 . 1 . . . . B 39 HIS HD2 . 34443 1 460 . 1 . 1 39 39 HIS HE1 H 1 8.230 0.002 . 1 . . . . B 39 HIS HE1 . 34443 1 461 . 1 . 1 39 39 HIS C C 13 175.054 0.000 . 1 . . . . B 39 HIS C . 34443 1 462 . 1 . 1 39 39 HIS CA C 13 56.432 0.024 . 1 . . . . B 39 HIS CA . 34443 1 463 . 1 . 1 39 39 HIS CB C 13 32.443 0.013 . 1 . . . . B 39 HIS CB . 34443 1 464 . 1 . 1 39 39 HIS CD2 C 13 121.474 0.026 . 1 . . . . B 39 HIS CD2 . 34443 1 465 . 1 . 1 39 39 HIS CE1 C 13 137.567 0.080 . 1 . . . . B 39 HIS CE1 . 34443 1 466 . 1 . 1 39 39 HIS N N 15 112.971 0.012 . 1 . . . . B 39 HIS N . 34443 1 467 . 1 . 1 40 40 LEU H H 1 7.879 0.003 . 1 . . . . B 40 LEU H . 34443 1 468 . 1 . 1 40 40 LEU HA H 1 4.444 0.003 . 1 . . . . B 40 LEU HA . 34443 1 469 . 1 . 1 40 40 LEU HB2 H 1 1.518 0.010 . 2 . . . . B 40 LEU HB2 . 34443 1 470 . 1 . 1 40 40 LEU HB3 H 1 1.906 0.015 . 2 . . . . B 40 LEU HB3 . 34443 1 471 . 1 . 1 40 40 LEU HG H 1 1.894 0.004 . 1 . . . . B 40 LEU HG . 34443 1 472 . 1 . 1 40 40 LEU HD11 H 1 0.983 0.004 . 2 . . . . B 40 LEU HD11 . 34443 1 473 . 1 . 1 40 40 LEU HD12 H 1 0.983 0.004 . 2 . . . . B 40 LEU HD12 . 34443 1 474 . 1 . 1 40 40 LEU HD13 H 1 0.983 0.004 . 2 . . . . B 40 LEU HD13 . 34443 1 475 . 1 . 1 40 40 LEU HD21 H 1 0.951 0.000 . 2 . . . . B 40 LEU HD21 . 34443 1 476 . 1 . 1 40 40 LEU HD22 H 1 0.951 0.000 . 2 . . . . B 40 LEU HD22 . 34443 1 477 . 1 . 1 40 40 LEU HD23 H 1 0.951 0.000 . 2 . . . . B 40 LEU HD23 . 34443 1 478 . 1 . 1 40 40 LEU C C 13 176.055 0.000 . 1 . . . . B 40 LEU C . 34443 1 479 . 1 . 1 40 40 LEU CA C 13 55.292 0.035 . 1 . . . . B 40 LEU CA . 34443 1 480 . 1 . 1 40 40 LEU CB C 13 41.129 0.058 . 1 . . . . B 40 LEU CB . 34443 1 481 . 1 . 1 40 40 LEU CG C 13 26.377 0.000 . 1 . . . . B 40 LEU CG . 34443 1 482 . 1 . 1 40 40 LEU CD1 C 13 25.683 0.081 . 2 . . . . B 40 LEU CD1 . 34443 1 483 . 1 . 1 40 40 LEU CD2 C 13 24.971 0.000 . 2 . . . . B 40 LEU CD2 . 34443 1 484 . 1 . 1 40 40 LEU N N 15 123.848 0.019 . 1 . . . . B 40 LEU N . 34443 1 485 . 1 . 1 41 41 ASN H H 1 8.422 0.003 . 1 . . . . B 41 ASN H . 34443 1 486 . 1 . 1 41 41 ASN HA H 1 4.781 0.005 . 1 . . . . B 41 ASN HA . 34443 1 487 . 1 . 1 41 41 ASN HB2 H 1 2.795 0.002 . 2 . . . . B 41 ASN HB2 . 34443 1 488 . 1 . 1 41 41 ASN HB3 H 1 2.838 0.003 . 2 . . . . B 41 ASN HB3 . 34443 1 489 . 1 . 1 41 41 ASN HD21 H 1 6.749 0.001 . 1 . . . . B 41 ASN HD21 . 34443 1 490 . 1 . 1 41 41 ASN HD22 H 1 7.466 0.001 . 1 . . . . B 41 ASN HD22 . 34443 1 491 . 1 . 1 41 41 ASN C C 13 175.794 0.000 . 1 . . . . B 41 ASN C . 34443 1 492 . 1 . 1 41 41 ASN CA C 13 53.240 0.032 . 1 . . . . B 41 ASN CA . 34443 1 493 . 1 . 1 41 41 ASN CB C 13 38.989 0.018 . 1 . . . . B 41 ASN CB . 34443 1 494 . 1 . 1 41 41 ASN N N 15 119.337 0.022 . 1 . . . . B 41 ASN N . 34443 1 495 . 1 . 1 41 41 ASN ND2 N 15 111.626 0.003 . 1 . . . . B 41 ASN ND2 . 34443 1 496 . 1 . 1 42 42 THR H H 1 8.182 0.002 . 1 . . . . B 42 THR H . 34443 1 497 . 1 . 1 42 42 THR HA H 1 4.204 0.005 . 1 . . . . B 42 THR HA . 34443 1 498 . 1 . 1 42 42 THR HB H 1 4.206 0.005 . 1 . . . . B 42 THR HB . 34443 1 499 . 1 . 1 42 42 THR HG21 H 1 1.237 0.004 . 1 . . . . B 42 THR HG21 . 34443 1 500 . 1 . 1 42 42 THR HG22 H 1 1.237 0.004 . 1 . . . . B 42 THR HG22 . 34443 1 501 . 1 . 1 42 42 THR HG23 H 1 1.237 0.004 . 1 . . . . B 42 THR HG23 . 34443 1 502 . 1 . 1 42 42 THR C C 13 175.029 0.000 . 1 . . . . B 42 THR C . 34443 1 503 . 1 . 1 42 42 THR CA C 13 64.026 0.019 . 1 . . . . B 42 THR CA . 34443 1 504 . 1 . 1 42 42 THR CB C 13 68.935 0.014 . 1 . . . . B 42 THR CB . 34443 1 505 . 1 . 1 42 42 THR CG2 C 13 22.054 0.014 . 1 . . . . B 42 THR CG2 . 34443 1 506 . 1 . 1 42 42 THR N N 15 115.451 0.036 . 1 . . . . B 42 THR N . 34443 1 507 . 1 . 1 43 43 VAL H H 1 7.981 0.003 . 1 . . . . B 43 VAL H . 34443 1 508 . 1 . 1 43 43 VAL HA H 1 4.379 0.002 . 1 . . . . B 43 VAL HA . 34443 1 509 . 1 . 1 43 43 VAL HB H 1 1.903 0.006 . 1 . . . . B 43 VAL HB . 34443 1 510 . 1 . 1 43 43 VAL HG11 H 1 0.716 0.004 . 2 . . . . B 43 VAL HG11 . 34443 1 511 . 1 . 1 43 43 VAL HG12 H 1 0.716 0.004 . 2 . . . . B 43 VAL HG12 . 34443 1 512 . 1 . 1 43 43 VAL HG13 H 1 0.716 0.004 . 2 . . . . B 43 VAL HG13 . 34443 1 513 . 1 . 1 43 43 VAL HG21 H 1 0.735 0.012 . 2 . . . . B 43 VAL HG21 . 34443 1 514 . 1 . 1 43 43 VAL HG22 H 1 0.735 0.012 . 2 . . . . B 43 VAL HG22 . 34443 1 515 . 1 . 1 43 43 VAL HG23 H 1 0.735 0.012 . 2 . . . . B 43 VAL HG23 . 34443 1 516 . 1 . 1 43 43 VAL CA C 13 59.268 0.012 . 1 . . . . B 43 VAL CA . 34443 1 517 . 1 . 1 43 43 VAL CB C 13 33.721 0.007 . 1 . . . . B 43 VAL CB . 34443 1 518 . 1 . 1 43 43 VAL CG1 C 13 19.954 0.006 . 2 . . . . B 43 VAL CG1 . 34443 1 519 . 1 . 1 43 43 VAL CG2 C 13 20.757 0.001 . 2 . . . . B 43 VAL CG2 . 34443 1 520 . 1 . 1 43 43 VAL N N 15 120.747 0.067 . 1 . . . . B 43 VAL N . 34443 1 521 . 1 . 1 44 44 PRO HA H 1 4.374 0.006 . 1 . . . . B 44 PRO HA . 34443 1 522 . 1 . 1 44 44 PRO HB2 H 1 1.871 0.008 . 2 . . . . B 44 PRO HB2 . 34443 1 523 . 1 . 1 44 44 PRO HB3 H 1 2.178 0.008 . 2 . . . . B 44 PRO HB3 . 34443 1 524 . 1 . 1 44 44 PRO HG2 H 1 1.899 0.012 . 2 . . . . B 44 PRO HG2 . 34443 1 525 . 1 . 1 44 44 PRO HG3 H 1 2.050 0.005 . 2 . . . . B 44 PRO HG3 . 34443 1 526 . 1 . 1 44 44 PRO HD2 H 1 3.540 0.004 . 2 . . . . B 44 PRO HD2 . 34443 1 527 . 1 . 1 44 44 PRO HD3 H 1 3.729 0.003 . 2 . . . . B 44 PRO HD3 . 34443 1 528 . 1 . 1 44 44 PRO C C 13 176.300 0.000 . 1 . . . . B 44 PRO C . 34443 1 529 . 1 . 1 44 44 PRO CA C 13 63.609 0.026 . 1 . . . . B 44 PRO CA . 34443 1 530 . 1 . 1 44 44 PRO CB C 13 31.322 0.035 . 1 . . . . B 44 PRO CB . 34443 1 531 . 1 . 1 44 44 PRO CG C 13 27.627 0.114 . 1 . . . . B 44 PRO CG . 34443 1 532 . 1 . 1 44 44 PRO CD C 13 50.750 0.049 . 1 . . . . B 44 PRO CD . 34443 1 533 . 1 . 1 45 45 ARG H H 1 8.110 0.003 . 1 . . . . B 45 ARG H . 34443 1 534 . 1 . 1 45 45 ARG HA H 1 4.796 0.003 . 1 . . . . B 45 ARG HA . 34443 1 535 . 1 . 1 45 45 ARG HB2 H 1 1.674 0.016 . 1 . . . . B 45 ARG HB2 . 34443 1 536 . 1 . 1 45 45 ARG HB3 H 1 1.674 0.016 . 1 . . . . B 45 ARG HB3 . 34443 1 537 . 1 . 1 45 45 ARG HG2 H 1 1.364 0.008 . 2 . . . . B 45 ARG HG2 . 34443 1 538 . 1 . 1 45 45 ARG HG3 H 1 1.519 0.007 . 2 . . . . B 45 ARG HG3 . 34443 1 539 . 1 . 1 45 45 ARG HD2 H 1 2.309 0.006 . 2 . . . . B 45 ARG HD2 . 34443 1 540 . 1 . 1 45 45 ARG HD3 H 1 2.840 0.008 . 2 . . . . B 45 ARG HD3 . 34443 1 541 . 1 . 1 45 45 ARG HE H 1 7.116 0.002 . 1 . . . . B 45 ARG HE . 34443 1 542 . 1 . 1 45 45 ARG C C 13 175.663 0.000 . 1 . . . . B 45 ARG C . 34443 1 543 . 1 . 1 45 45 ARG CA C 13 53.442 0.031 . 1 . . . . B 45 ARG CA . 34443 1 544 . 1 . 1 45 45 ARG CB C 13 34.513 0.078 . 1 . . . . B 45 ARG CB . 34443 1 545 . 1 . 1 45 45 ARG CG C 13 26.321 0.091 . 1 . . . . B 45 ARG CG . 34443 1 546 . 1 . 1 45 45 ARG CD C 13 43.453 0.011 . 1 . . . . B 45 ARG CD . 34443 1 547 . 1 . 1 45 45 ARG N N 15 123.019 0.021 . 1 . . . . B 45 ARG N . 34443 1 548 . 1 . 1 45 45 ARG NE N 15 84.705 0.050 . 1 . . . . B 45 ARG NE . 34443 1 549 . 1 . 1 46 46 THR H H 1 7.684 0.003 . 1 . . . . B 46 THR H . 34443 1 550 . 1 . 1 46 46 THR HA H 1 4.600 0.003 . 1 . . . . B 46 THR HA . 34443 1 551 . 1 . 1 46 46 THR HB H 1 4.714 0.005 . 1 . . . . B 46 THR HB . 34443 1 552 . 1 . 1 46 46 THR HG21 H 1 1.213 0.004 . 1 . . . . B 46 THR HG21 . 34443 1 553 . 1 . 1 46 46 THR HG22 H 1 1.213 0.004 . 1 . . . . B 46 THR HG22 . 34443 1 554 . 1 . 1 46 46 THR HG23 H 1 1.213 0.004 . 1 . . . . B 46 THR HG23 . 34443 1 555 . 1 . 1 46 46 THR C C 13 175.562 0.000 . 1 . . . . B 46 THR C . 34443 1 556 . 1 . 1 46 46 THR CA C 13 59.276 0.024 . 1 . . . . B 46 THR CA . 34443 1 557 . 1 . 1 46 46 THR CB C 13 71.597 0.116 . 1 . . . . B 46 THR CB . 34443 1 558 . 1 . 1 46 46 THR CG2 C 13 21.667 0.018 . 1 . . . . B 46 THR CG2 . 34443 1 559 . 1 . 1 46 46 THR N N 15 108.824 0.013 . 1 . . . . B 46 THR N . 34443 1 560 . 1 . 1 47 47 ARG H H 1 9.011 0.003 . 1 . . . . B 47 ARG H . 34443 1 561 . 1 . 1 47 47 ARG HA H 1 3.743 0.004 . 1 . . . . B 47 ARG HA . 34443 1 562 . 1 . 1 47 47 ARG HB2 H 1 1.853 0.000 . 1 . . . . B 47 ARG HB2 . 34443 1 563 . 1 . 1 47 47 ARG HB3 H 1 1.853 0.000 . 1 . . . . B 47 ARG HB3 . 34443 1 564 . 1 . 1 47 47 ARG HG2 H 1 1.556 0.000 . 2 . . . . B 47 ARG HG2 . 34443 1 565 . 1 . 1 47 47 ARG HG3 H 1 1.742 0.000 . 2 . . . . B 47 ARG HG3 . 34443 1 566 . 1 . 1 47 47 ARG HD2 H 1 3.230 0.029 . 2 . . . . B 47 ARG HD2 . 34443 1 567 . 1 . 1 47 47 ARG HD3 H 1 3.262 0.007 . 2 . . . . B 47 ARG HD3 . 34443 1 568 . 1 . 1 47 47 ARG C C 13 177.122 0.000 . 1 . . . . B 47 ARG C . 34443 1 569 . 1 . 1 47 47 ARG CA C 13 60.359 0.107 . 1 . . . . B 47 ARG CA . 34443 1 570 . 1 . 1 47 47 ARG CB C 13 30.170 0.122 . 1 . . . . B 47 ARG CB . 34443 1 571 . 1 . 1 47 47 ARG CG C 13 28.955 0.003 . 1 . . . . B 47 ARG CG . 34443 1 572 . 1 . 1 47 47 ARG CD C 13 43.438 0.001 . 1 . . . . B 47 ARG CD . 34443 1 573 . 1 . 1 47 47 ARG N N 15 120.883 0.014 . 1 . . . . B 47 ARG N . 34443 1 574 . 1 . 1 48 48 LYS H H 1 8.338 0.003 . 1 . . . . B 48 LYS H . 34443 1 575 . 1 . 1 48 48 LYS HA H 1 3.880 0.004 . 1 . . . . B 48 LYS HA . 34443 1 576 . 1 . 1 48 48 LYS HB2 H 1 1.724 0.003 . 2 . . . . B 48 LYS HB2 . 34443 1 577 . 1 . 1 48 48 LYS HB3 H 1 1.871 0.003 . 2 . . . . B 48 LYS HB3 . 34443 1 578 . 1 . 1 48 48 LYS HG2 H 1 1.334 0.003 . 2 . . . . B 48 LYS HG2 . 34443 1 579 . 1 . 1 48 48 LYS HG3 H 1 1.509 0.004 . 2 . . . . B 48 LYS HG3 . 34443 1 580 . 1 . 1 48 48 LYS HD2 H 1 1.693 0.002 . 1 . . . . B 48 LYS HD2 . 34443 1 581 . 1 . 1 48 48 LYS HD3 H 1 1.693 0.002 . 1 . . . . B 48 LYS HD3 . 34443 1 582 . 1 . 1 48 48 LYS HE2 H 1 2.972 0.006 . 1 . . . . B 48 LYS HE2 . 34443 1 583 . 1 . 1 48 48 LYS HE3 H 1 2.972 0.006 . 1 . . . . B 48 LYS HE3 . 34443 1 584 . 1 . 1 48 48 LYS C C 13 177.984 0.000 . 1 . . . . B 48 LYS C . 34443 1 585 . 1 . 1 48 48 LYS CA C 13 59.954 0.052 . 1 . . . . B 48 LYS CA . 34443 1 586 . 1 . 1 48 48 LYS CB C 13 32.806 0.070 . 1 . . . . B 48 LYS CB . 34443 1 587 . 1 . 1 48 48 LYS CG C 13 25.418 0.011 . 1 . . . . B 48 LYS CG . 34443 1 588 . 1 . 1 48 48 LYS CD C 13 29.488 0.008 . 1 . . . . B 48 LYS CD . 34443 1 589 . 1 . 1 48 48 LYS CE C 13 41.985 0.017 . 1 . . . . B 48 LYS CE . 34443 1 590 . 1 . 1 48 48 LYS N N 15 116.601 0.017 . 1 . . . . B 48 LYS N . 34443 1 591 . 1 . 1 49 49 GLN H H 1 7.716 0.005 . 1 . . . . B 49 GLN H . 34443 1 592 . 1 . 1 49 49 GLN HA H 1 4.222 0.016 . 1 . . . . B 49 GLN HA . 34443 1 593 . 1 . 1 49 49 GLN HB2 H 1 2.196 0.000 . 1 . . . . B 49 GLN HB2 . 34443 1 594 . 1 . 1 49 49 GLN HB3 H 1 2.196 0.000 . 1 . . . . B 49 GLN HB3 . 34443 1 595 . 1 . 1 49 49 GLN HG2 H 1 2.574 0.000 . 2 . . . . B 49 GLN HG2 . 34443 1 596 . 1 . 1 49 49 GLN HG3 H 1 2.282 0.000 . 2 . . . . B 49 GLN HG3 . 34443 1 597 . 1 . 1 49 49 GLN HE21 H 1 7.066 0.002 . 1 . . . . B 49 GLN HE21 . 34443 1 598 . 1 . 1 49 49 GLN HE22 H 1 7.473 0.001 . 1 . . . . B 49 GLN HE22 . 34443 1 599 . 1 . 1 49 49 GLN C C 13 178.805 0.000 . 1 . . . . B 49 GLN C . 34443 1 600 . 1 . 1 49 49 GLN CA C 13 58.949 0.039 . 1 . . . . B 49 GLN CA . 34443 1 601 . 1 . 1 49 49 GLN CB C 13 29.239 0.082 . 1 . . . . B 49 GLN CB . 34443 1 602 . 1 . 1 49 49 GLN CG C 13 34.697 0.011 . 1 . . . . B 49 GLN CG . 34443 1 603 . 1 . 1 49 49 GLN N N 15 117.269 0.070 . 1 . . . . B 49 GLN N . 34443 1 604 . 1 . 1 49 49 GLN NE2 N 15 110.583 0.012 . 1 . . . . B 49 GLN NE2 . 34443 1 605 . 1 . 1 50 50 ILE H H 1 8.203 0.004 . 1 . . . . B 50 ILE H . 34443 1 606 . 1 . 1 50 50 ILE HA H 1 3.779 0.010 . 1 . . . . B 50 ILE HA . 34443 1 607 . 1 . 1 50 50 ILE HB H 1 2.180 0.004 . 1 . . . . B 50 ILE HB . 34443 1 608 . 1 . 1 50 50 ILE HG12 H 1 1.558 0.026 . 2 . . . . B 50 ILE HG12 . 34443 1 609 . 1 . 1 50 50 ILE HG13 H 1 1.601 0.014 . 2 . . . . B 50 ILE HG13 . 34443 1 610 . 1 . 1 50 50 ILE HG21 H 1 0.904 0.011 . 1 . . . . B 50 ILE HG21 . 34443 1 611 . 1 . 1 50 50 ILE HG22 H 1 0.904 0.011 . 1 . . . . B 50 ILE HG22 . 34443 1 612 . 1 . 1 50 50 ILE HG23 H 1 0.904 0.011 . 1 . . . . B 50 ILE HG23 . 34443 1 613 . 1 . 1 50 50 ILE HD11 H 1 0.890 0.004 . 1 . . . . B 50 ILE HD11 . 34443 1 614 . 1 . 1 50 50 ILE HD12 H 1 0.890 0.004 . 1 . . . . B 50 ILE HD12 . 34443 1 615 . 1 . 1 50 50 ILE HD13 H 1 0.890 0.004 . 1 . . . . B 50 ILE HD13 . 34443 1 616 . 1 . 1 50 50 ILE C C 13 176.589 0.000 . 1 . . . . B 50 ILE C . 34443 1 617 . 1 . 1 50 50 ILE CA C 13 64.494 0.041 . 1 . . . . B 50 ILE CA . 34443 1 618 . 1 . 1 50 50 ILE CB C 13 36.758 0.024 . 1 . . . . B 50 ILE CB . 34443 1 619 . 1 . 1 50 50 ILE CG1 C 13 28.869 0.030 . 1 . . . . B 50 ILE CG1 . 34443 1 620 . 1 . 1 50 50 ILE CG2 C 13 18.629 0.022 . 1 . . . . B 50 ILE CG2 . 34443 1 621 . 1 . 1 50 50 ILE CD1 C 13 12.582 0.009 . 1 . . . . B 50 ILE CD1 . 34443 1 622 . 1 . 1 50 50 ILE N N 15 120.438 0.042 . 1 . . . . B 50 ILE N . 34443 1 623 . 1 . 1 51 51 ILE H H 1 8.224 0.005 . 1 . . . . B 51 ILE H . 34443 1 624 . 1 . 1 51 51 ILE HA H 1 2.977 0.006 . 1 . . . . B 51 ILE HA . 34443 1 625 . 1 . 1 51 51 ILE HB H 1 1.614 0.005 . 1 . . . . B 51 ILE HB . 34443 1 626 . 1 . 1 51 51 ILE HG12 H 1 0.081 0.012 . 2 . . . . B 51 ILE HG12 . 34443 1 627 . 1 . 1 51 51 ILE HG13 H 1 1.495 0.005 . 2 . . . . B 51 ILE HG13 . 34443 1 628 . 1 . 1 51 51 ILE HG21 H 1 0.657 0.003 . 1 . . . . B 51 ILE HG21 . 34443 1 629 . 1 . 1 51 51 ILE HG22 H 1 0.657 0.003 . 1 . . . . B 51 ILE HG22 . 34443 1 630 . 1 . 1 51 51 ILE HG23 H 1 0.657 0.003 . 1 . . . . B 51 ILE HG23 . 34443 1 631 . 1 . 1 51 51 ILE HD11 H 1 0.761 0.005 . 1 . . . . B 51 ILE HD11 . 34443 1 632 . 1 . 1 51 51 ILE HD12 H 1 0.761 0.005 . 1 . . . . B 51 ILE HD12 . 34443 1 633 . 1 . 1 51 51 ILE HD13 H 1 0.761 0.005 . 1 . . . . B 51 ILE HD13 . 34443 1 634 . 1 . 1 51 51 ILE C C 13 176.743 0.000 . 1 . . . . B 51 ILE C . 34443 1 635 . 1 . 1 51 51 ILE CA C 13 66.255 0.020 . 1 . . . . B 51 ILE CA . 34443 1 636 . 1 . 1 51 51 ILE CB C 13 38.275 0.113 . 1 . . . . B 51 ILE CB . 34443 1 637 . 1 . 1 51 51 ILE CG1 C 13 29.490 0.020 . 1 . . . . B 51 ILE CG1 . 34443 1 638 . 1 . 1 51 51 ILE CG2 C 13 16.886 0.017 . 1 . . . . B 51 ILE CG2 . 34443 1 639 . 1 . 1 51 51 ILE CD1 C 13 14.164 0.006 . 1 . . . . B 51 ILE CD1 . 34443 1 640 . 1 . 1 51 51 ILE N N 15 119.405 0.039 . 1 . . . . B 51 ILE N . 34443 1 641 . 1 . 1 52 52 HIS H H 1 8.227 0.003 . 1 . . . . B 52 HIS H . 34443 1 642 . 1 . 1 52 52 HIS HA H 1 4.018 0.002 . 1 . . . . B 52 HIS HA . 34443 1 643 . 1 . 1 52 52 HIS HB2 H 1 3.148 0.005 . 2 . . . . B 52 HIS HB2 . 34443 1 644 . 1 . 1 52 52 HIS HB3 H 1 3.236 0.004 . 2 . . . . B 52 HIS HB3 . 34443 1 645 . 1 . 1 52 52 HIS HD2 H 1 7.068 0.004 . 1 . . . . B 52 HIS HD2 . 34443 1 646 . 1 . 1 52 52 HIS HE1 H 1 7.825 0.002 . 1 . . . . B 52 HIS HE1 . 34443 1 647 . 1 . 1 52 52 HIS C C 13 177.569 0.000 . 1 . . . . B 52 HIS C . 34443 1 648 . 1 . 1 52 52 HIS CA C 13 60.176 0.021 . 1 . . . . B 52 HIS CA . 34443 1 649 . 1 . 1 52 52 HIS CB C 13 30.443 0.035 . 1 . . . . B 52 HIS CB . 34443 1 650 . 1 . 1 52 52 HIS CD2 C 13 119.694 0.000 . 1 . . . . B 52 HIS CD2 . 34443 1 651 . 1 . 1 52 52 HIS CE1 C 13 138.037 0.083 . 1 . . . . B 52 HIS CE1 . 34443 1 652 . 1 . 1 52 52 HIS N N 15 115.306 0.016 . 1 . . . . B 52 HIS N . 34443 1 653 . 1 . 1 53 53 HIS H H 1 8.139 0.005 . 1 . . . . B 53 HIS H . 34443 1 654 . 1 . 1 53 53 HIS HA H 1 4.015 0.006 . 1 . . . . B 53 HIS HA . 34443 1 655 . 1 . 1 53 53 HIS HB2 H 1 2.197 0.002 . 2 . . . . B 53 HIS HB2 . 34443 1 656 . 1 . 1 53 53 HIS HB3 H 1 2.892 0.004 . 2 . . . . B 53 HIS HB3 . 34443 1 657 . 1 . 1 53 53 HIS HD2 H 1 5.767 0.001 . 1 . . . . B 53 HIS HD2 . 34443 1 658 . 1 . 1 53 53 HIS HE1 H 1 7.956 0.000 . 1 . . . . B 53 HIS HE1 . 34443 1 659 . 1 . 1 53 53 HIS C C 13 176.530 0.000 . 1 . . . . B 53 HIS C . 34443 1 660 . 1 . 1 53 53 HIS CA C 13 59.597 0.034 . 1 . . . . B 53 HIS CA . 34443 1 661 . 1 . 1 53 53 HIS CB C 13 28.897 0.061 . 1 . . . . B 53 HIS CB . 34443 1 662 . 1 . 1 53 53 HIS CD2 C 13 117.207 0.042 . 1 . . . . B 53 HIS CD2 . 34443 1 663 . 1 . 1 53 53 HIS CE1 C 13 137.032 0.000 . 1 . . . . B 53 HIS CE1 . 34443 1 664 . 1 . 1 53 53 HIS N N 15 118.954 0.038 . 1 . . . . B 53 HIS N . 34443 1 665 . 1 . 1 54 54 LEU H H 1 8.306 0.003 . 1 . . . . B 54 LEU H . 34443 1 666 . 1 . 1 54 54 LEU HA H 1 3.671 0.010 . 1 . . . . B 54 LEU HA . 34443 1 667 . 1 . 1 54 54 LEU HB2 H 1 1.931 0.016 . 2 . . . . B 54 LEU HB2 . 34443 1 668 . 1 . 1 54 54 LEU HB3 H 1 0.741 0.008 . 2 . . . . B 54 LEU HB3 . 34443 1 669 . 1 . 1 54 54 LEU HG H 1 1.720 0.004 . 1 . . . . B 54 LEU HG . 34443 1 670 . 1 . 1 54 54 LEU HD11 H 1 0.378 0.003 . 2 . . . . B 54 LEU HD11 . 34443 1 671 . 1 . 1 54 54 LEU HD12 H 1 0.378 0.003 . 2 . . . . B 54 LEU HD12 . 34443 1 672 . 1 . 1 54 54 LEU HD13 H 1 0.378 0.003 . 2 . . . . B 54 LEU HD13 . 34443 1 673 . 1 . 1 54 54 LEU HD21 H 1 0.431 0.006 . 2 . . . . B 54 LEU HD21 . 34443 1 674 . 1 . 1 54 54 LEU HD22 H 1 0.431 0.006 . 2 . . . . B 54 LEU HD22 . 34443 1 675 . 1 . 1 54 54 LEU HD23 H 1 0.431 0.006 . 2 . . . . B 54 LEU HD23 . 34443 1 676 . 1 . 1 54 54 LEU C C 13 178.168 0.000 . 1 . . . . B 54 LEU C . 34443 1 677 . 1 . 1 54 54 LEU CA C 13 58.223 0.130 . 1 . . . . B 54 LEU CA . 34443 1 678 . 1 . 1 54 54 LEU CB C 13 42.118 0.037 . 1 . . . . B 54 LEU CB . 34443 1 679 . 1 . 1 54 54 LEU CG C 13 26.772 0.006 . 1 . . . . B 54 LEU CG . 34443 1 680 . 1 . 1 54 54 LEU CD1 C 13 23.252 0.012 . 2 . . . . B 54 LEU CD1 . 34443 1 681 . 1 . 1 54 54 LEU CD2 C 13 26.576 0.011 . 2 . . . . B 54 LEU CD2 . 34443 1 682 . 1 . 1 54 54 LEU N N 15 118.698 0.043 . 1 . . . . B 54 LEU N . 34443 1 683 . 1 . 1 55 55 VAL H H 1 7.500 0.003 . 1 . . . . B 55 VAL H . 34443 1 684 . 1 . 1 55 55 VAL HA H 1 3.963 0.003 . 1 . . . . B 55 VAL HA . 34443 1 685 . 1 . 1 55 55 VAL HB H 1 1.997 0.005 . 1 . . . . B 55 VAL HB . 34443 1 686 . 1 . 1 55 55 VAL HG11 H 1 0.814 0.006 . 2 . . . . B 55 VAL HG11 . 34443 1 687 . 1 . 1 55 55 VAL HG12 H 1 0.814 0.006 . 2 . . . . B 55 VAL HG12 . 34443 1 688 . 1 . 1 55 55 VAL HG13 H 1 0.814 0.006 . 2 . . . . B 55 VAL HG13 . 34443 1 689 . 1 . 1 55 55 VAL HG21 H 1 0.792 0.012 . 2 . . . . B 55 VAL HG21 . 34443 1 690 . 1 . 1 55 55 VAL HG22 H 1 0.792 0.012 . 2 . . . . B 55 VAL HG22 . 34443 1 691 . 1 . 1 55 55 VAL HG23 H 1 0.792 0.012 . 2 . . . . B 55 VAL HG23 . 34443 1 692 . 1 . 1 55 55 VAL C C 13 178.870 0.000 . 1 . . . . B 55 VAL C . 34443 1 693 . 1 . 1 55 55 VAL CA C 13 65.173 0.015 . 1 . . . . B 55 VAL CA . 34443 1 694 . 1 . 1 55 55 VAL CB C 13 31.412 0.110 . 1 . . . . B 55 VAL CB . 34443 1 695 . 1 . 1 55 55 VAL CG1 C 13 21.006 0.017 . 2 . . . . B 55 VAL CG1 . 34443 1 696 . 1 . 1 55 55 VAL CG2 C 13 22.116 0.045 . 2 . . . . B 55 VAL CG2 . 34443 1 697 . 1 . 1 55 55 VAL N N 15 118.897 0.022 . 1 . . . . B 55 VAL N . 34443 1 698 . 1 . 1 56 56 GLN H H 1 8.083 0.005 . 1 . . . . B 56 GLN H . 34443 1 699 . 1 . 1 56 56 GLN HA H 1 3.815 0.007 . 1 . . . . B 56 GLN HA . 34443 1 700 . 1 . 1 56 56 GLN HB2 H 1 1.712 0.005 . 2 . . . . B 56 GLN HB2 . 34443 1 701 . 1 . 1 56 56 GLN HB3 H 1 1.848 0.006 . 2 . . . . B 56 GLN HB3 . 34443 1 702 . 1 . 1 56 56 GLN HG2 H 1 2.118 0.002 . 2 . . . . B 56 GLN HG2 . 34443 1 703 . 1 . 1 56 56 GLN HG3 H 1 2.218 0.004 . 2 . . . . B 56 GLN HG3 . 34443 1 704 . 1 . 1 56 56 GLN HE21 H 1 6.853 0.001 . 1 . . . . B 56 GLN HE21 . 34443 1 705 . 1 . 1 56 56 GLN HE22 H 1 7.408 0.002 . 1 . . . . B 56 GLN HE22 . 34443 1 706 . 1 . 1 56 56 GLN C C 13 177.476 0.000 . 1 . . . . B 56 GLN C . 34443 1 707 . 1 . 1 56 56 GLN CA C 13 59.118 0.035 . 1 . . . . B 56 GLN CA . 34443 1 708 . 1 . 1 56 56 GLN CB C 13 28.367 0.049 . 1 . . . . B 56 GLN CB . 34443 1 709 . 1 . 1 56 56 GLN CG C 13 33.687 0.015 . 1 . . . . B 56 GLN CG . 34443 1 710 . 1 . 1 56 56 GLN N N 15 123.077 0.064 . 1 . . . . B 56 GLN N . 34443 1 711 . 1 . 1 56 56 GLN NE2 N 15 112.211 0.012 . 1 . . . . B 56 GLN NE2 . 34443 1 712 . 1 . 1 57 57 MET H H 1 7.869 0.003 . 1 . . . . B 57 MET H . 34443 1 713 . 1 . 1 57 57 MET HA H 1 3.967 0.004 . 1 . . . . B 57 MET HA . 34443 1 714 . 1 . 1 57 57 MET HB2 H 1 1.689 0.005 . 2 . . . . B 57 MET HB2 . 34443 1 715 . 1 . 1 57 57 MET HB3 H 1 2.154 0.009 . 2 . . . . B 57 MET HB3 . 34443 1 716 . 1 . 1 57 57 MET HG2 H 1 1.991 0.003 . 2 . . . . B 57 MET HG2 . 34443 1 717 . 1 . 1 57 57 MET HG3 H 1 2.147 0.003 . 2 . . . . B 57 MET HG3 . 34443 1 718 . 1 . 1 57 57 MET HE1 H 1 1.987 0.000 . 1 . . . . B 57 MET HE1 . 34443 1 719 . 1 . 1 57 57 MET HE2 H 1 1.987 0.000 . 1 . . . . B 57 MET HE2 . 34443 1 720 . 1 . 1 57 57 MET HE3 H 1 1.987 0.000 . 1 . . . . B 57 MET HE3 . 34443 1 721 . 1 . 1 57 57 MET C C 13 176.279 0.000 . 1 . . . . B 57 MET C . 34443 1 722 . 1 . 1 57 57 MET CA C 13 57.004 0.032 . 1 . . . . B 57 MET CA . 34443 1 723 . 1 . 1 57 57 MET CB C 13 35.088 0.049 . 1 . . . . B 57 MET CB . 34443 1 724 . 1 . 1 57 57 MET CG C 13 31.478 0.057 . 1 . . . . B 57 MET CG . 34443 1 725 . 1 . 1 57 57 MET CE C 13 16.705 0.000 . 1 . . . . B 57 MET CE . 34443 1 726 . 1 . 1 57 57 MET N N 15 114.311 0.018 . 1 . . . . B 57 MET N . 34443 1 727 . 1 . 1 58 58 GLY H H 1 7.927 0.005 . 1 . . . . B 58 GLY H . 34443 1 728 . 1 . 1 58 58 GLY HA2 H 1 4.086 0.008 . 2 . . . . B 58 GLY HA2 . 34443 1 729 . 1 . 1 58 58 GLY HA3 H 1 3.908 0.003 . 2 . . . . B 58 GLY HA3 . 34443 1 730 . 1 . 1 58 58 GLY C C 13 175.201 0.000 . 1 . . . . B 58 GLY C . 34443 1 731 . 1 . 1 58 58 GLY CA C 13 45.374 0.026 . 1 . . . . B 58 GLY CA . 34443 1 732 . 1 . 1 58 58 GLY N N 15 107.249 0.068 . 1 . . . . B 58 GLY N . 34443 1 733 . 1 . 1 59 59 LEU H H 1 7.669 0.003 . 1 . . . . B 59 LEU H . 34443 1 734 . 1 . 1 59 59 LEU HA H 1 4.201 0.003 . 1 . . . . B 59 LEU HA . 34443 1 735 . 1 . 1 59 59 LEU HB2 H 1 1.367 0.000 . 2 . . . . B 59 LEU HB2 . 34443 1 736 . 1 . 1 59 59 LEU HB3 H 1 1.251 0.000 . 2 . . . . B 59 LEU HB3 . 34443 1 737 . 1 . 1 59 59 LEU HG H 1 1.463 0.001 . 1 . . . . B 59 LEU HG . 34443 1 738 . 1 . 1 59 59 LEU HD11 H 1 0.925 0.004 . 2 . . . . B 59 LEU HD11 . 34443 1 739 . 1 . 1 59 59 LEU HD12 H 1 0.925 0.004 . 2 . . . . B 59 LEU HD12 . 34443 1 740 . 1 . 1 59 59 LEU HD13 H 1 0.925 0.004 . 2 . . . . B 59 LEU HD13 . 34443 1 741 . 1 . 1 59 59 LEU HD21 H 1 0.823 0.003 . 2 . . . . B 59 LEU HD21 . 34443 1 742 . 1 . 1 59 59 LEU HD22 H 1 0.823 0.003 . 2 . . . . B 59 LEU HD22 . 34443 1 743 . 1 . 1 59 59 LEU HD23 H 1 0.823 0.003 . 2 . . . . B 59 LEU HD23 . 34443 1 744 . 1 . 1 59 59 LEU C C 13 175.351 0.000 . 1 . . . . B 59 LEU C . 34443 1 745 . 1 . 1 59 59 LEU CA C 13 55.502 0.015 . 1 . . . . B 59 LEU CA . 34443 1 746 . 1 . 1 59 59 LEU CB C 13 42.065 0.022 . 1 . . . . B 59 LEU CB . 34443 1 747 . 1 . 1 59 59 LEU CG C 13 27.359 0.000 . 1 . . . . B 59 LEU CG . 34443 1 748 . 1 . 1 59 59 LEU CD1 C 13 23.116 0.022 . 2 . . . . B 59 LEU CD1 . 34443 1 749 . 1 . 1 59 59 LEU CD2 C 13 25.815 0.040 . 2 . . . . B 59 LEU CD2 . 34443 1 750 . 1 . 1 59 59 LEU N N 15 118.971 0.047 . 1 . . . . B 59 LEU N . 34443 1 751 . 1 . 1 60 60 ALA H H 1 7.069 0.003 . 1 . . . . B 60 ALA H . 34443 1 752 . 1 . 1 60 60 ALA HA H 1 4.524 0.005 . 1 . . . . B 60 ALA HA . 34443 1 753 . 1 . 1 60 60 ALA HB1 H 1 1.231 0.003 . 1 . . . . B 60 ALA HB1 . 34443 1 754 . 1 . 1 60 60 ALA HB2 H 1 1.231 0.003 . 1 . . . . B 60 ALA HB2 . 34443 1 755 . 1 . 1 60 60 ALA HB3 H 1 1.231 0.003 . 1 . . . . B 60 ALA HB3 . 34443 1 756 . 1 . 1 60 60 ALA C C 13 175.779 0.000 . 1 . . . . B 60 ALA C . 34443 1 757 . 1 . 1 60 60 ALA CA C 13 50.166 0.016 . 1 . . . . B 60 ALA CA . 34443 1 758 . 1 . 1 60 60 ALA CB C 13 22.536 0.058 . 1 . . . . B 60 ALA CB . 34443 1 759 . 1 . 1 60 60 ALA N N 15 118.293 0.022 . 1 . . . . B 60 ALA N . 34443 1 760 . 1 . 1 61 61 ASP H H 1 8.647 0.005 . 1 . . . . B 61 ASP H . 34443 1 761 . 1 . 1 61 61 ASP HA H 1 4.542 0.004 . 1 . . . . B 61 ASP HA . 34443 1 762 . 1 . 1 61 61 ASP HB2 H 1 2.704 0.003 . 1 . . . . B 61 ASP HB2 . 34443 1 763 . 1 . 1 61 61 ASP HB3 H 1 2.704 0.003 . 1 . . . . B 61 ASP HB3 . 34443 1 764 . 1 . 1 61 61 ASP C C 13 176.310 0.000 . 1 . . . . B 61 ASP C . 34443 1 765 . 1 . 1 61 61 ASP CA C 13 56.083 0.023 . 1 . . . . B 61 ASP CA . 34443 1 766 . 1 . 1 61 61 ASP CB C 13 42.481 0.030 . 1 . . . . B 61 ASP CB . 34443 1 767 . 1 . 1 61 61 ASP N N 15 119.428 0.024 . 1 . . . . B 61 ASP N . 34443 1 768 . 1 . 1 62 62 SER H H 1 7.867 0.003 . 1 . . . . B 62 SER H . 34443 1 769 . 1 . 1 62 62 SER HA H 1 4.582 0.004 . 1 . . . . B 62 SER HA . 34443 1 770 . 1 . 1 62 62 SER HB2 H 1 3.761 0.003 . 2 . . . . B 62 SER HB2 . 34443 1 771 . 1 . 1 62 62 SER HB3 H 1 3.996 0.004 . 2 . . . . B 62 SER HB3 . 34443 1 772 . 1 . 1 62 62 SER C C 13 175.154 0.000 . 1 . . . . B 62 SER C . 34443 1 773 . 1 . 1 62 62 SER CA C 13 57.517 0.013 . 1 . . . . B 62 SER CA . 34443 1 774 . 1 . 1 62 62 SER CB C 13 65.005 0.034 . 1 . . . . B 62 SER CB . 34443 1 775 . 1 . 1 62 62 SER N N 15 111.158 0.019 . 1 . . . . B 62 SER N . 34443 1 776 . 1 . 1 63 63 VAL H H 1 8.669 0.004 . 1 . . . . B 63 VAL H . 34443 1 777 . 1 . 1 63 63 VAL HA H 1 3.951 0.005 . 1 . . . . B 63 VAL HA . 34443 1 778 . 1 . 1 63 63 VAL HB H 1 2.211 0.004 . 1 . . . . B 63 VAL HB . 34443 1 779 . 1 . 1 63 63 VAL HG11 H 1 0.957 0.008 . 2 . . . . B 63 VAL HG11 . 34443 1 780 . 1 . 1 63 63 VAL HG12 H 1 0.957 0.008 . 2 . . . . B 63 VAL HG12 . 34443 1 781 . 1 . 1 63 63 VAL HG13 H 1 0.957 0.008 . 2 . . . . B 63 VAL HG13 . 34443 1 782 . 1 . 1 63 63 VAL HG21 H 1 0.943 0.004 . 2 . . . . B 63 VAL HG21 . 34443 1 783 . 1 . 1 63 63 VAL HG22 H 1 0.943 0.004 . 2 . . . . B 63 VAL HG22 . 34443 1 784 . 1 . 1 63 63 VAL HG23 H 1 0.943 0.004 . 2 . . . . B 63 VAL HG23 . 34443 1 785 . 1 . 1 63 63 VAL C C 13 177.266 0.000 . 1 . . . . B 63 VAL C . 34443 1 786 . 1 . 1 63 63 VAL CA C 13 64.492 0.045 . 1 . . . . B 63 VAL CA . 34443 1 787 . 1 . 1 63 63 VAL CB C 13 31.639 0.029 . 1 . . . . B 63 VAL CB . 34443 1 788 . 1 . 1 63 63 VAL CG1 C 13 19.989 0.006 . 2 . . . . B 63 VAL CG1 . 34443 1 789 . 1 . 1 63 63 VAL CG2 C 13 21.233 0.004 . 2 . . . . B 63 VAL CG2 . 34443 1 790 . 1 . 1 63 63 VAL N N 15 119.646 0.072 . 1 . . . . B 63 VAL N . 34443 1 791 . 1 . 1 64 64 LYS H H 1 8.291 0.003 . 1 . . . . B 64 LYS H . 34443 1 792 . 1 . 1 64 64 LYS HA H 1 4.103 0.005 . 1 . . . . B 64 LYS HA . 34443 1 793 . 1 . 1 64 64 LYS HB2 H 1 1.737 0.003 . 2 . . . . B 64 LYS HB2 . 34443 1 794 . 1 . 1 64 64 LYS HB3 H 1 1.823 0.002 . 2 . . . . B 64 LYS HB3 . 34443 1 795 . 1 . 1 64 64 LYS HG2 H 1 1.415 0.001 . 2 . . . . B 64 LYS HG2 . 34443 1 796 . 1 . 1 64 64 LYS HG3 H 1 1.457 0.000 . 2 . . . . B 64 LYS HG3 . 34443 1 797 . 1 . 1 64 64 LYS HD2 H 1 1.668 0.008 . 1 . . . . B 64 LYS HD2 . 34443 1 798 . 1 . 1 64 64 LYS HD3 H 1 1.668 0.008 . 1 . . . . B 64 LYS HD3 . 34443 1 799 . 1 . 1 64 64 LYS HE2 H 1 2.981 0.002 . 1 . . . . B 64 LYS HE2 . 34443 1 800 . 1 . 1 64 64 LYS HE3 H 1 2.981 0.002 . 1 . . . . B 64 LYS HE3 . 34443 1 801 . 1 . 1 64 64 LYS C C 13 177.223 0.000 . 1 . . . . B 64 LYS C . 34443 1 802 . 1 . 1 64 64 LYS CA C 13 58.231 0.021 . 1 . . . . B 64 LYS CA . 34443 1 803 . 1 . 1 64 64 LYS CB C 13 32.106 0.064 . 1 . . . . B 64 LYS CB . 34443 1 804 . 1 . 1 64 64 LYS CG C 13 25.109 0.019 . 1 . . . . B 64 LYS CG . 34443 1 805 . 1 . 1 64 64 LYS CD C 13 29.178 0.067 . 1 . . . . B 64 LYS CD . 34443 1 806 . 1 . 1 64 64 LYS CE C 13 42.013 0.031 . 1 . . . . B 64 LYS CE . 34443 1 807 . 1 . 1 64 64 LYS N N 15 120.746 0.042 . 1 . . . . B 64 LYS N . 34443 1 808 . 1 . 1 65 65 ASP H H 1 7.702 0.003 . 1 . . . . B 65 ASP H . 34443 1 809 . 1 . 1 65 65 ASP HA H 1 4.407 0.002 . 1 . . . . B 65 ASP HA . 34443 1 810 . 1 . 1 65 65 ASP HB2 H 1 2.420 0.018 . 2 . . . . B 65 ASP HB2 . 34443 1 811 . 1 . 1 65 65 ASP HB3 H 1 2.481 0.000 . 2 . . . . B 65 ASP HB3 . 34443 1 812 . 1 . 1 65 65 ASP C C 13 176.117 0.000 . 1 . . . . B 65 ASP C . 34443 1 813 . 1 . 1 65 65 ASP CA C 13 56.035 0.014 . 1 . . . . B 65 ASP CA . 34443 1 814 . 1 . 1 65 65 ASP CB C 13 40.440 0.025 . 1 . . . . B 65 ASP CB . 34443 1 815 . 1 . 1 65 65 ASP N N 15 118.643 0.021 . 1 . . . . B 65 ASP N . 34443 1 816 . 1 . 1 66 66 PHE H H 1 7.519 0.003 . 1 . . . . B 66 PHE H . 34443 1 817 . 1 . 1 66 66 PHE HA H 1 4.578 0.002 . 1 . . . . B 66 PHE HA . 34443 1 818 . 1 . 1 66 66 PHE HB2 H 1 2.895 0.005 . 2 . . . . B 66 PHE HB2 . 34443 1 819 . 1 . 1 66 66 PHE HB3 H 1 3.367 0.003 . 2 . . . . B 66 PHE HB3 . 34443 1 820 . 1 . 1 66 66 PHE HD1 H 1 7.290 0.003 . 1 . . . . B 66 PHE HD1 . 34443 1 821 . 1 . 1 66 66 PHE HD2 H 1 7.290 0.003 . 1 . . . . B 66 PHE HD2 . 34443 1 822 . 1 . 1 66 66 PHE HE1 H 1 7.088 0.004 . 1 . . . . B 66 PHE HE1 . 34443 1 823 . 1 . 1 66 66 PHE HE2 H 1 7.088 0.004 . 1 . . . . B 66 PHE HE2 . 34443 1 824 . 1 . 1 66 66 PHE HZ H 1 6.930 0.005 . 1 . . . . B 66 PHE HZ . 34443 1 825 . 1 . 1 66 66 PHE C C 13 175.715 0.000 . 1 . . . . B 66 PHE C . 34443 1 826 . 1 . 1 66 66 PHE CA C 13 58.037 0.018 . 1 . . . . B 66 PHE CA . 34443 1 827 . 1 . 1 66 66 PHE CB C 13 39.339 0.055 . 1 . . . . B 66 PHE CB . 34443 1 828 . 1 . 1 66 66 PHE CD1 C 13 132.337 0.040 . 1 . . . . B 66 PHE CD1 . 34443 1 829 . 1 . 1 66 66 PHE CD2 C 13 132.337 0.040 . 1 . . . . B 66 PHE CD2 . 34443 1 830 . 1 . 1 66 66 PHE CE1 C 13 130.634 0.011 . 1 . . . . B 66 PHE CE1 . 34443 1 831 . 1 . 1 66 66 PHE CE2 C 13 130.634 0.011 . 1 . . . . B 66 PHE CE2 . 34443 1 832 . 1 . 1 66 66 PHE CZ C 13 129.105 0.013 . 1 . . . . B 66 PHE CZ . 34443 1 833 . 1 . 1 66 66 PHE N N 15 116.900 0.022 . 1 . . . . B 66 PHE N . 34443 1 834 . 1 . 1 67 67 GLN H H 1 7.804 0.003 . 1 . . . . B 67 GLN H . 34443 1 835 . 1 . 1 67 67 GLN HA H 1 4.399 0.002 . 1 . . . . B 67 GLN HA . 34443 1 836 . 1 . 1 67 67 GLN HB2 H 1 2.055 0.002 . 2 . . . . B 67 GLN HB2 . 34443 1 837 . 1 . 1 67 67 GLN HB3 H 1 2.171 0.003 . 2 . . . . B 67 GLN HB3 . 34443 1 838 . 1 . 1 67 67 GLN HG2 H 1 2.415 0.015 . 1 . . . . B 67 GLN HG2 . 34443 1 839 . 1 . 1 67 67 GLN HG3 H 1 2.415 0.015 . 1 . . . . B 67 GLN HG3 . 34443 1 840 . 1 . 1 67 67 GLN HE21 H 1 7.577 0.001 . 1 . . . . B 67 GLN HE21 . 34443 1 841 . 1 . 1 67 67 GLN HE22 H 1 6.954 0.001 . 1 . . . . B 67 GLN HE22 . 34443 1 842 . 1 . 1 67 67 GLN C C 13 175.899 0.000 . 1 . . . . B 67 GLN C . 34443 1 843 . 1 . 1 67 67 GLN CA C 13 55.839 0.026 . 1 . . . . B 67 GLN CA . 34443 1 844 . 1 . 1 67 67 GLN CB C 13 29.472 0.021 . 1 . . . . B 67 GLN CB . 34443 1 845 . 1 . 1 67 67 GLN CG C 13 33.929 0.009 . 1 . . . . B 67 GLN CG . 34443 1 846 . 1 . 1 67 67 GLN N N 15 120.029 0.019 . 1 . . . . B 67 GLN N . 34443 1 847 . 1 . 1 67 67 GLN NE2 N 15 111.990 0.014 . 1 . . . . B 67 GLN NE2 . 34443 1 848 . 1 . 1 68 68 ARG H H 1 8.362 0.004 . 1 . . . . B 68 ARG H . 34443 1 849 . 1 . 1 68 68 ARG HA H 1 4.340 0.000 . 1 . . . . B 68 ARG HA . 34443 1 850 . 1 . 1 68 68 ARG HB2 H 1 1.851 0.000 . 1 . . . . B 68 ARG HB2 . 34443 1 851 . 1 . 1 68 68 ARG HB3 H 1 1.851 0.000 . 1 . . . . B 68 ARG HB3 . 34443 1 852 . 1 . 1 68 68 ARG HG2 H 1 1.663 0.000 . 1 . . . . B 68 ARG HG2 . 34443 1 853 . 1 . 1 68 68 ARG HG3 H 1 1.663 0.000 . 1 . . . . B 68 ARG HG3 . 34443 1 854 . 1 . 1 68 68 ARG HD2 H 1 3.218 0.005 . 1 . . . . B 68 ARG HD2 . 34443 1 855 . 1 . 1 68 68 ARG HD3 H 1 3.218 0.005 . 1 . . . . B 68 ARG HD3 . 34443 1 856 . 1 . 1 68 68 ARG CA C 13 56.472 0.000 . 1 . . . . B 68 ARG CA . 34443 1 857 . 1 . 1 68 68 ARG CB C 13 30.674 0.000 . 1 . . . . B 68 ARG CB . 34443 1 858 . 1 . 1 68 68 ARG N N 15 122.437 0.032 . 1 . . . . B 68 ARG N . 34443 1 859 . 1 . 1 69 69 LYS H H 1 8.102 0.003 . 1 . . . . B 69 LYS H . 34443 1 860 . 1 . 1 69 69 LYS HA H 1 4.426 0.000 . 1 . . . . B 69 LYS HA . 34443 1 861 . 1 . 1 69 69 LYS HB2 H 1 1.833 0.000 . 1 . . . . B 69 LYS HB2 . 34443 1 862 . 1 . 1 69 69 LYS HB3 H 1 1.833 0.000 . 1 . . . . B 69 LYS HB3 . 34443 1 863 . 1 . 1 69 69 LYS HG2 H 1 1.497 0.000 . 1 . . . . B 69 LYS HG2 . 34443 1 864 . 1 . 1 69 69 LYS HG3 H 1 1.497 0.000 . 1 . . . . B 69 LYS HG3 . 34443 1 865 . 1 . 1 69 69 LYS C C 13 176.675 0.000 . 1 . . . . B 69 LYS C . 34443 1 866 . 1 . 1 69 69 LYS CA C 13 56.325 0.000 . 1 . . . . B 69 LYS CA . 34443 1 867 . 1 . 1 69 69 LYS CB C 13 33.320 0.000 . 1 . . . . B 69 LYS CB . 34443 1 868 . 1 . 1 69 69 LYS CG C 13 24.782 0.000 . 1 . . . . B 69 LYS CG . 34443 1 869 . 1 . 1 69 69 LYS CD C 13 29.140 0.000 . 1 . . . . B 69 LYS CD . 34443 1 870 . 1 . 1 69 69 LYS CE C 13 42.114 0.000 . 1 . . . . B 69 LYS CE . 34443 1 871 . 1 . 1 69 69 LYS N N 15 120.563 0.010 . 1 . . . . B 69 LYS N . 34443 1 872 . 1 . 1 70 70 GLY H H 1 8.548 0.003 . 1 . . . . B 70 GLY H . 34443 1 873 . 1 . 1 70 70 GLY HA2 H 1 4.017 0.003 . 1 . . . . B 70 GLY HA2 . 34443 1 874 . 1 . 1 70 70 GLY HA3 H 1 4.017 0.003 . 1 . . . . B 70 GLY HA3 . 34443 1 875 . 1 . 1 70 70 GLY C C 13 174.774 0.000 . 1 . . . . B 70 GLY C . 34443 1 876 . 1 . 1 70 70 GLY CA C 13 45.309 0.017 . 1 . . . . B 70 GLY CA . 34443 1 877 . 1 . 1 70 70 GLY N N 15 110.193 0.017 . 1 . . . . B 70 GLY N . 34443 1 878 . 1 . 1 71 71 THR H H 1 8.099 0.002 . 1 . . . . B 71 THR H . 34443 1 879 . 1 . 1 71 71 THR HA H 1 4.317 0.003 . 1 . . . . B 71 THR HA . 34443 1 880 . 1 . 1 71 71 THR HB H 1 4.170 0.004 . 1 . . . . B 71 THR HB . 34443 1 881 . 1 . 1 71 71 THR HG21 H 1 1.159 0.011 . 1 . . . . B 71 THR HG21 . 34443 1 882 . 1 . 1 71 71 THR HG22 H 1 1.159 0.011 . 1 . . . . B 71 THR HG22 . 34443 1 883 . 1 . 1 71 71 THR HG23 H 1 1.159 0.011 . 1 . . . . B 71 THR HG23 . 34443 1 884 . 1 . 1 71 71 THR C C 13 174.858 0.000 . 1 . . . . B 71 THR C . 34443 1 885 . 1 . 1 71 71 THR CA C 13 61.892 0.004 . 1 . . . . B 71 THR CA . 34443 1 886 . 1 . 1 71 71 THR CB C 13 69.873 0.016 . 1 . . . . B 71 THR CB . 34443 1 887 . 1 . 1 71 71 THR CG2 C 13 21.533 0.045 . 1 . . . . B 71 THR CG2 . 34443 1 888 . 1 . 1 71 71 THR N N 15 113.575 0.011 . 1 . . . . B 71 THR N . 34443 1 889 . 1 . 1 72 72 HIS H H 1 8.471 0.004 . 1 . . . . B 72 HIS H . 34443 1 890 . 1 . 1 72 72 HIS HA H 1 4.674 0.003 . 1 . . . . B 72 HIS HA . 34443 1 891 . 1 . 1 72 72 HIS HB2 H 1 3.055 0.000 . 2 . . . . B 72 HIS HB2 . 34443 1 892 . 1 . 1 72 72 HIS HB3 H 1 3.138 0.000 . 2 . . . . B 72 HIS HB3 . 34443 1 893 . 1 . 1 72 72 HIS HD2 H 1 7.004 0.004 . 1 . . . . B 72 HIS HD2 . 34443 1 894 . 1 . 1 72 72 HIS HE1 H 1 7.989 0.004 . 1 . . . . B 72 HIS HE1 . 34443 1 895 . 1 . 1 72 72 HIS C C 13 175.174 0.000 . 1 . . . . B 72 HIS C . 34443 1 896 . 1 . 1 72 72 HIS CA C 13 56.001 0.021 . 1 . . . . B 72 HIS CA . 34443 1 897 . 1 . 1 72 72 HIS CB C 13 30.573 0.032 . 1 . . . . B 72 HIS CB . 34443 1 898 . 1 . 1 72 72 HIS CD2 C 13 119.593 0.123 . 1 . . . . B 72 HIS CD2 . 34443 1 899 . 1 . 1 72 72 HIS CE1 C 13 137.848 0.074 . 1 . . . . B 72 HIS CE1 . 34443 1 900 . 1 . 1 72 72 HIS N N 15 122.090 0.027 . 1 . . . . B 72 HIS N . 34443 1 901 . 1 . 1 73 73 ILE H H 1 8.167 0.003 . 1 . . . . B 73 ILE H . 34443 1 902 . 1 . 1 73 73 ILE HA H 1 4.139 0.002 . 1 . . . . B 73 ILE HA . 34443 1 903 . 1 . 1 73 73 ILE HB H 1 1.771 0.004 . 1 . . . . B 73 ILE HB . 34443 1 904 . 1 . 1 73 73 ILE HG12 H 1 1.131 0.006 . 2 . . . . B 73 ILE HG12 . 34443 1 905 . 1 . 1 73 73 ILE HG13 H 1 1.383 0.003 . 2 . . . . B 73 ILE HG13 . 34443 1 906 . 1 . 1 73 73 ILE HG21 H 1 0.821 0.011 . 1 . . . . B 73 ILE HG21 . 34443 1 907 . 1 . 1 73 73 ILE HG22 H 1 0.821 0.011 . 1 . . . . B 73 ILE HG22 . 34443 1 908 . 1 . 1 73 73 ILE HG23 H 1 0.821 0.011 . 1 . . . . B 73 ILE HG23 . 34443 1 909 . 1 . 1 73 73 ILE HD11 H 1 0.808 0.003 . 1 . . . . B 73 ILE HD11 . 34443 1 910 . 1 . 1 73 73 ILE HD12 H 1 0.808 0.003 . 1 . . . . B 73 ILE HD12 . 34443 1 911 . 1 . 1 73 73 ILE HD13 H 1 0.808 0.003 . 1 . . . . B 73 ILE HD13 . 34443 1 912 . 1 . 1 73 73 ILE C C 13 175.812 0.000 . 1 . . . . B 73 ILE C . 34443 1 913 . 1 . 1 73 73 ILE CA C 13 60.902 0.012 . 1 . . . . B 73 ILE CA . 34443 1 914 . 1 . 1 73 73 ILE CB C 13 38.626 0.033 . 1 . . . . B 73 ILE CB . 34443 1 915 . 1 . 1 73 73 ILE CG1 C 13 27.223 0.019 . 1 . . . . B 73 ILE CG1 . 34443 1 916 . 1 . 1 73 73 ILE CG2 C 13 17.346 0.023 . 1 . . . . B 73 ILE CG2 . 34443 1 917 . 1 . 1 73 73 ILE CD1 C 13 12.661 0.012 . 1 . . . . B 73 ILE CD1 . 34443 1 918 . 1 . 1 73 73 ILE N N 15 123.127 0.020 . 1 . . . . B 73 ILE N . 34443 1 919 . 1 . 1 74 74 VAL H H 1 8.400 0.006 . 1 . . . . B 74 VAL H . 34443 1 920 . 1 . 1 74 74 VAL HA H 1 4.093 0.004 . 1 . . . . B 74 VAL HA . 34443 1 921 . 1 . 1 74 74 VAL HB H 1 2.025 0.004 . 1 . . . . B 74 VAL HB . 34443 1 922 . 1 . 1 74 74 VAL HG11 H 1 0.871 0.007 . 2 . . . . B 74 VAL HG11 . 34443 1 923 . 1 . 1 74 74 VAL HG12 H 1 0.871 0.007 . 2 . . . . B 74 VAL HG12 . 34443 1 924 . 1 . 1 74 74 VAL HG13 H 1 0.871 0.007 . 2 . . . . B 74 VAL HG13 . 34443 1 925 . 1 . 1 74 74 VAL HG21 H 1 0.911 0.004 . 2 . . . . B 74 VAL HG21 . 34443 1 926 . 1 . 1 74 74 VAL HG22 H 1 0.911 0.004 . 2 . . . . B 74 VAL HG22 . 34443 1 927 . 1 . 1 74 74 VAL HG23 H 1 0.911 0.004 . 2 . . . . B 74 VAL HG23 . 34443 1 928 . 1 . 1 74 74 VAL C C 13 175.756 0.000 . 1 . . . . B 74 VAL C . 34443 1 929 . 1 . 1 74 74 VAL CA C 13 62.069 0.042 . 1 . . . . B 74 VAL CA . 34443 1 930 . 1 . 1 74 74 VAL CB C 13 32.970 0.056 . 1 . . . . B 74 VAL CB . 34443 1 931 . 1 . 1 74 74 VAL CG1 C 13 21.301 0.024 . 2 . . . . B 74 VAL CG1 . 34443 1 932 . 1 . 1 74 74 VAL CG2 C 13 20.715 0.009 . 2 . . . . B 74 VAL CG2 . 34443 1 933 . 1 . 1 74 74 VAL N N 15 125.348 0.052 . 1 . . . . B 74 VAL N . 34443 1 934 . 1 . 1 75 75 LEU H H 1 8.394 0.003 . 1 . . . . B 75 LEU H . 34443 1 935 . 1 . 1 75 75 LEU HA H 1 4.458 0.010 . 1 . . . . B 75 LEU HA . 34443 1 936 . 1 . 1 75 75 LEU HB2 H 1 1.559 0.000 . 2 . . . . B 75 LEU HB2 . 34443 1 937 . 1 . 1 75 75 LEU HB3 H 1 1.653 0.023 . 2 . . . . B 75 LEU HB3 . 34443 1 938 . 1 . 1 75 75 LEU HG H 1 1.613 0.042 . 1 . . . . B 75 LEU HG . 34443 1 939 . 1 . 1 75 75 LEU HD11 H 1 0.884 0.001 . 2 . . . . B 75 LEU HD11 . 34443 1 940 . 1 . 1 75 75 LEU HD12 H 1 0.884 0.001 . 2 . . . . B 75 LEU HD12 . 34443 1 941 . 1 . 1 75 75 LEU HD13 H 1 0.884 0.001 . 2 . . . . B 75 LEU HD13 . 34443 1 942 . 1 . 1 75 75 LEU HD21 H 1 0.933 0.005 . 2 . . . . B 75 LEU HD21 . 34443 1 943 . 1 . 1 75 75 LEU HD22 H 1 0.933 0.005 . 2 . . . . B 75 LEU HD22 . 34443 1 944 . 1 . 1 75 75 LEU HD23 H 1 0.933 0.005 . 2 . . . . B 75 LEU HD23 . 34443 1 945 . 1 . 1 75 75 LEU C C 13 176.600 0.000 . 1 . . . . B 75 LEU C . 34443 1 946 . 1 . 1 75 75 LEU CA C 13 55.228 0.023 . 1 . . . . B 75 LEU CA . 34443 1 947 . 1 . 1 75 75 LEU CB C 13 42.916 0.122 . 1 . . . . B 75 LEU CB . 34443 1 948 . 1 . 1 75 75 LEU CG C 13 26.846 0.142 . 1 . . . . B 75 LEU CG . 34443 1 949 . 1 . 1 75 75 LEU CD1 C 13 23.585 0.001 . 2 . . . . B 75 LEU CD1 . 34443 1 950 . 1 . 1 75 75 LEU CD2 C 13 24.839 0.007 . 2 . . . . B 75 LEU CD2 . 34443 1 951 . 1 . 1 75 75 LEU N N 15 126.893 0.033 . 1 . . . . B 75 LEU N . 34443 1 952 . 1 . 1 76 76 TRP H H 1 8.660 0.005 . 1 . . . . B 76 TRP H . 34443 1 953 . 1 . 1 76 76 TRP HA H 1 4.936 0.006 . 1 . . . . B 76 TRP HA . 34443 1 954 . 1 . 1 76 76 TRP HB2 H 1 3.125 0.046 . 2 . . . . B 76 TRP HB2 . 34443 1 955 . 1 . 1 76 76 TRP HB3 H 1 3.062 0.011 . 2 . . . . B 76 TRP HB3 . 34443 1 956 . 1 . 1 76 76 TRP HD1 H 1 7.360 0.005 . 1 . . . . B 76 TRP HD1 . 34443 1 957 . 1 . 1 76 76 TRP HE1 H 1 10.466 0.004 . 1 . . . . B 76 TRP HE1 . 34443 1 958 . 1 . 1 76 76 TRP HE3 H 1 7.370 0.005 . 1 . . . . B 76 TRP HE3 . 34443 1 959 . 1 . 1 76 76 TRP HZ2 H 1 7.107 0.004 . 1 . . . . B 76 TRP HZ2 . 34443 1 960 . 1 . 1 76 76 TRP HZ3 H 1 7.045 0.014 . 1 . . . . B 76 TRP HZ3 . 34443 1 961 . 1 . 1 76 76 TRP HH2 H 1 6.890 0.006 . 1 . . . . B 76 TRP HH2 . 34443 1 962 . 1 . 1 76 76 TRP C C 13 176.335 0.000 . 1 . . . . B 76 TRP C . 34443 1 963 . 1 . 1 76 76 TRP CA C 13 56.313 0.053 . 1 . . . . B 76 TRP CA . 34443 1 964 . 1 . 1 76 76 TRP CB C 13 30.517 0.032 . 1 . . . . B 76 TRP CB . 34443 1 965 . 1 . 1 76 76 TRP CD1 C 13 127.592 0.031 . 1 . . . . B 76 TRP CD1 . 34443 1 966 . 1 . 1 76 76 TRP CE3 C 13 119.718 0.035 . 1 . . . . B 76 TRP CE3 . 34443 1 967 . 1 . 1 76 76 TRP CZ2 C 13 113.398 0.040 . 1 . . . . B 76 TRP CZ2 . 34443 1 968 . 1 . 1 76 76 TRP CZ3 C 13 122.046 0.054 . 1 . . . . B 76 TRP CZ3 . 34443 1 969 . 1 . 1 76 76 TRP CH2 C 13 123.648 0.023 . 1 . . . . B 76 TRP CH2 . 34443 1 970 . 1 . 1 76 76 TRP N N 15 131.162 0.019 . 1 . . . . B 76 TRP N . 34443 1 971 . 1 . 1 76 76 TRP NE1 N 15 131.160 0.008 . 1 . . . . B 76 TRP NE1 . 34443 1 972 . 1 . 1 77 77 THR H H 1 8.659 0.003 . 1 . . . . B 77 THR H . 34443 1 973 . 1 . 1 77 77 THR HA H 1 4.660 0.000 . 1 . . . . B 77 THR HA . 34443 1 974 . 1 . 1 77 77 THR HB H 1 4.723 0.009 . 1 . . . . B 77 THR HB . 34443 1 975 . 1 . 1 77 77 THR HG21 H 1 1.214 0.003 . 1 . . . . B 77 THR HG21 . 34443 1 976 . 1 . 1 77 77 THR HG22 H 1 1.214 0.003 . 1 . . . . B 77 THR HG22 . 34443 1 977 . 1 . 1 77 77 THR HG23 H 1 1.214 0.003 . 1 . . . . B 77 THR HG23 . 34443 1 978 . 1 . 1 77 77 THR C C 13 176.059 0.000 . 1 . . . . B 77 THR C . 34443 1 979 . 1 . 1 77 77 THR CA C 13 60.069 0.005 . 1 . . . . B 77 THR CA . 34443 1 980 . 1 . 1 77 77 THR CB C 13 71.115 0.149 . 1 . . . . B 77 THR CB . 34443 1 981 . 1 . 1 77 77 THR CG2 C 13 21.684 0.000 . 1 . . . . B 77 THR CG2 . 34443 1 982 . 1 . 1 77 77 THR N N 15 114.815 0.023 . 1 . . . . B 77 THR N . 34443 1 983 . 1 . 1 78 78 GLY H H 1 9.101 0.007 . 1 . . . . B 78 GLY H . 34443 1 984 . 1 . 1 78 78 GLY HA2 H 1 4.010 0.000 . 1 . . . . B 78 GLY HA2 . 34443 1 985 . 1 . 1 78 78 GLY HA3 H 1 4.010 0.000 . 1 . . . . B 78 GLY HA3 . 34443 1 986 . 1 . 1 78 78 GLY C C 13 176.830 0.000 . 1 . . . . B 78 GLY C . 34443 1 987 . 1 . 1 78 78 GLY CA C 13 47.941 0.037 . 1 . . . . B 78 GLY CA . 34443 1 988 . 1 . 1 78 78 GLY N N 15 109.910 0.017 . 1 . . . . B 78 GLY N . 34443 1 989 . 1 . 1 79 79 ASP H H 1 8.555 0.003 . 1 . . . . B 79 ASP H . 34443 1 990 . 1 . 1 79 79 ASP HA H 1 4.537 0.003 . 1 . . . . B 79 ASP HA . 34443 1 991 . 1 . 1 79 79 ASP HB2 H 1 2.581 0.003 . 2 . . . . B 79 ASP HB2 . 34443 1 992 . 1 . 1 79 79 ASP HB3 H 1 2.703 0.000 . 2 . . . . B 79 ASP HB3 . 34443 1 993 . 1 . 1 79 79 ASP C C 13 178.428 0.000 . 1 . . . . B 79 ASP C . 34443 1 994 . 1 . 1 79 79 ASP CA C 13 57.399 0.018 . 1 . . . . B 79 ASP CA . 34443 1 995 . 1 . 1 79 79 ASP CB C 13 40.413 0.099 . 1 . . . . B 79 ASP CB . 34443 1 996 . 1 . 1 79 79 ASP N N 15 120.345 0.032 . 1 . . . . B 79 ASP N . 34443 1 997 . 1 . 1 80 80 GLN H H 1 7.894 0.006 . 1 . . . . B 80 GLN H . 34443 1 998 . 1 . 1 80 80 GLN HA H 1 4.002 0.000 . 1 . . . . B 80 GLN HA . 34443 1 999 . 1 . 1 80 80 GLN HB2 H 1 2.409 0.000 . 2 . . . . B 80 GLN HB2 . 34443 1 1000 . 1 . 1 80 80 GLN HB3 H 1 2.560 0.000 . 2 . . . . B 80 GLN HB3 . 34443 1 1001 . 1 . 1 80 80 GLN HG2 H 1 2.698 0.000 . 2 . . . . B 80 GLN HG2 . 34443 1 1002 . 1 . 1 80 80 GLN HG3 H 1 2.783 0.000 . 2 . . . . B 80 GLN HG3 . 34443 1 1003 . 1 . 1 80 80 GLN HE21 H 1 7.468 0.004 . 1 . . . . B 80 GLN HE21 . 34443 1 1004 . 1 . 1 80 80 GLN HE22 H 1 6.605 0.006 . 1 . . . . B 80 GLN HE22 . 34443 1 1005 . 1 . 1 80 80 GLN C C 13 179.027 0.000 . 1 . . . . B 80 GLN C . 34443 1 1006 . 1 . 1 80 80 GLN CA C 13 58.594 0.120 . 1 . . . . B 80 GLN CA . 34443 1 1007 . 1 . 1 80 80 GLN CB C 13 28.229 0.000 . 1 . . . . B 80 GLN CB . 34443 1 1008 . 1 . 1 80 80 GLN N N 15 120.860 0.029 . 1 . . . . B 80 GLN N . 34443 1 1009 . 1 . 1 80 80 GLN NE2 N 15 109.499 0.005 . 1 . . . . B 80 GLN NE2 . 34443 1 1010 . 1 . 1 81 81 GLU H H 1 8.656 0.004 . 1 . . . . B 81 GLU H . 34443 1 1011 . 1 . 1 81 81 GLU HA H 1 3.934 0.007 . 1 . . . . B 81 GLU HA . 34443 1 1012 . 1 . 1 81 81 GLU HB2 H 1 1.774 0.000 . 2 . . . . B 81 GLU HB2 . 34443 1 1013 . 1 . 1 81 81 GLU HB3 H 1 1.943 0.000 . 2 . . . . B 81 GLU HB3 . 34443 1 1014 . 1 . 1 81 81 GLU HG2 H 1 2.499 0.000 . 2 . . . . B 81 GLU HG2 . 34443 1 1015 . 1 . 1 81 81 GLU HG3 H 1 2.838 0.000 . 2 . . . . B 81 GLU HG3 . 34443 1 1016 . 1 . 1 81 81 GLU C C 13 177.660 0.000 . 1 . . . . B 81 GLU C . 34443 1 1017 . 1 . 1 81 81 GLU CA C 13 60.643 0.019 . 1 . . . . B 81 GLU CA . 34443 1 1018 . 1 . 1 81 81 GLU CB C 13 30.328 0.000 . 1 . . . . B 81 GLU CB . 34443 1 1019 . 1 . 1 81 81 GLU N N 15 122.351 0.095 . 1 . . . . B 81 GLU N . 34443 1 1020 . 1 . 1 82 82 LEU H H 1 8.156 0.003 . 1 . . . . B 82 LEU H . 34443 1 1021 . 1 . 1 82 82 LEU HA H 1 4.213 0.003 . 1 . . . . B 82 LEU HA . 34443 1 1022 . 1 . 1 82 82 LEU HB2 H 1 1.916 0.000 . 2 . . . . B 82 LEU HB2 . 34443 1 1023 . 1 . 1 82 82 LEU HB3 H 1 1.695 0.004 . 2 . . . . B 82 LEU HB3 . 34443 1 1024 . 1 . 1 82 82 LEU HG H 1 1.809 0.000 . 1 . . . . B 82 LEU HG . 34443 1 1025 . 1 . 1 82 82 LEU HD11 H 1 0.942 0.001 . 2 . . . . B 82 LEU HD11 . 34443 1 1026 . 1 . 1 82 82 LEU HD12 H 1 0.942 0.001 . 2 . . . . B 82 LEU HD12 . 34443 1 1027 . 1 . 1 82 82 LEU HD13 H 1 0.942 0.001 . 2 . . . . B 82 LEU HD13 . 34443 1 1028 . 1 . 1 82 82 LEU HD21 H 1 0.978 0.000 . 2 . . . . B 82 LEU HD21 . 34443 1 1029 . 1 . 1 82 82 LEU HD22 H 1 0.978 0.000 . 2 . . . . B 82 LEU HD22 . 34443 1 1030 . 1 . 1 82 82 LEU HD23 H 1 0.978 0.000 . 2 . . . . B 82 LEU HD23 . 34443 1 1031 . 1 . 1 82 82 LEU C C 13 178.304 0.000 . 1 . . . . B 82 LEU C . 34443 1 1032 . 1 . 1 82 82 LEU CA C 13 58.040 0.039 . 1 . . . . B 82 LEU CA . 34443 1 1033 . 1 . 1 82 82 LEU CB C 13 41.685 0.056 . 1 . . . . B 82 LEU CB . 34443 1 1034 . 1 . 1 82 82 LEU CG C 13 26.993 0.000 . 1 . . . . B 82 LEU CG . 34443 1 1035 . 1 . 1 82 82 LEU CD1 C 13 23.549 0.103 . 2 . . . . B 82 LEU CD1 . 34443 1 1036 . 1 . 1 82 82 LEU CD2 C 13 24.715 0.020 . 2 . . . . B 82 LEU CD2 . 34443 1 1037 . 1 . 1 82 82 LEU N N 15 120.614 0.042 . 1 . . . . B 82 LEU N . 34443 1 1038 . 1 . 1 83 83 GLU H H 1 8.104 0.002 . 1 . . . . B 83 GLU H . 34443 1 1039 . 1 . 1 83 83 GLU HA H 1 4.021 0.003 . 1 . . . . B 83 GLU HA . 34443 1 1040 . 1 . 1 83 83 GLU HB2 H 1 2.385 0.000 . 2 . . . . B 83 GLU HB2 . 34443 1 1041 . 1 . 1 83 83 GLU HB3 H 1 2.227 0.000 . 2 . . . . B 83 GLU HB3 . 34443 1 1042 . 1 . 1 83 83 GLU HG2 H 1 2.367 0.002 . 2 . . . . B 83 GLU HG2 . 34443 1 1043 . 1 . 1 83 83 GLU HG3 H 1 2.459 0.007 . 2 . . . . B 83 GLU HG3 . 34443 1 1044 . 1 . 1 83 83 GLU C C 13 177.072 0.000 . 1 . . . . B 83 GLU C . 34443 1 1045 . 1 . 1 83 83 GLU CA C 13 59.398 0.053 . 1 . . . . B 83 GLU CA . 34443 1 1046 . 1 . 1 83 83 GLU CB C 13 30.203 0.066 . 1 . . . . B 83 GLU CB . 34443 1 1047 . 1 . 1 83 83 GLU CG C 13 36.009 0.023 . 1 . . . . B 83 GLU CG . 34443 1 1048 . 1 . 1 83 83 GLU N N 15 120.568 0.027 . 1 . . . . B 83 GLU N . 34443 1 1049 . 1 . 1 84 84 LEU H H 1 8.030 0.002 . 1 . . . . B 84 LEU H . 34443 1 1050 . 1 . 1 84 84 LEU HA H 1 4.133 0.006 . 1 . . . . B 84 LEU HA . 34443 1 1051 . 1 . 1 84 84 LEU HB2 H 1 2.035 0.005 . 2 . . . . B 84 LEU HB2 . 34443 1 1052 . 1 . 1 84 84 LEU HB3 H 1 1.785 0.006 . 2 . . . . B 84 LEU HB3 . 34443 1 1053 . 1 . 1 84 84 LEU HG H 1 1.464 0.008 . 1 . . . . B 84 LEU HG . 34443 1 1054 . 1 . 1 84 84 LEU HD11 H 1 0.603 0.003 . 2 . . . . B 84 LEU HD11 . 34443 1 1055 . 1 . 1 84 84 LEU HD12 H 1 0.603 0.003 . 2 . . . . B 84 LEU HD12 . 34443 1 1056 . 1 . 1 84 84 LEU HD13 H 1 0.603 0.003 . 2 . . . . B 84 LEU HD13 . 34443 1 1057 . 1 . 1 84 84 LEU HD21 H 1 1.077 0.006 . 2 . . . . B 84 LEU HD21 . 34443 1 1058 . 1 . 1 84 84 LEU HD22 H 1 1.077 0.006 . 2 . . . . B 84 LEU HD22 . 34443 1 1059 . 1 . 1 84 84 LEU HD23 H 1 1.077 0.006 . 2 . . . . B 84 LEU HD23 . 34443 1 1060 . 1 . 1 84 84 LEU C C 13 177.272 0.000 . 1 . . . . B 84 LEU C . 34443 1 1061 . 1 . 1 84 84 LEU CA C 13 58.425 0.022 . 1 . . . . B 84 LEU CA . 34443 1 1062 . 1 . 1 84 84 LEU CB C 13 41.541 0.106 . 1 . . . . B 84 LEU CB . 34443 1 1063 . 1 . 1 84 84 LEU CG C 13 27.055 0.153 . 1 . . . . B 84 LEU CG . 34443 1 1064 . 1 . 1 84 84 LEU CD1 C 13 26.260 0.015 . 2 . . . . B 84 LEU CD1 . 34443 1 1065 . 1 . 1 84 84 LEU CD2 C 13 24.664 0.009 . 2 . . . . B 84 LEU CD2 . 34443 1 1066 . 1 . 1 84 84 LEU N N 15 119.032 0.024 . 1 . . . . B 84 LEU N . 34443 1 1067 . 1 . 1 85 85 GLN H H 1 8.134 0.003 . 1 . . . . B 85 GLN H . 34443 1 1068 . 1 . 1 85 85 GLN HA H 1 3.846 0.000 . 1 . . . . B 85 GLN HA . 34443 1 1069 . 1 . 1 85 85 GLN HB2 H 1 2.224 0.000 . 2 . . . . B 85 GLN HB2 . 34443 1 1070 . 1 . 1 85 85 GLN HB3 H 1 2.272 0.000 . 2 . . . . B 85 GLN HB3 . 34443 1 1071 . 1 . 1 85 85 GLN HG2 H 1 2.486 0.004 . 2 . . . . B 85 GLN HG2 . 34443 1 1072 . 1 . 1 85 85 GLN HG3 H 1 2.310 0.003 . 2 . . . . B 85 GLN HG3 . 34443 1 1073 . 1 . 1 85 85 GLN HE21 H 1 6.848 0.002 . 1 . . . . B 85 GLN HE21 . 34443 1 1074 . 1 . 1 85 85 GLN HE22 H 1 7.239 0.005 . 1 . . . . B 85 GLN HE22 . 34443 1 1075 . 1 . 1 85 85 GLN C C 13 177.248 0.000 . 1 . . . . B 85 GLN C . 34443 1 1076 . 1 . 1 85 85 GLN CA C 13 59.923 0.025 . 1 . . . . B 85 GLN CA . 34443 1 1077 . 1 . 1 85 85 GLN CB C 13 28.401 0.103 . 1 . . . . B 85 GLN CB . 34443 1 1078 . 1 . 1 85 85 GLN CG C 13 34.220 0.060 . 1 . . . . B 85 GLN CG . 34443 1 1079 . 1 . 1 85 85 GLN N N 15 117.205 0.048 . 1 . . . . B 85 GLN N . 34443 1 1080 . 1 . 1 85 85 GLN NE2 N 15 110.221 0.017 . 1 . . . . B 85 GLN NE2 . 34443 1 1081 . 1 . 1 86 86 ARG H H 1 8.381 0.005 . 1 . . . . B 86 ARG H . 34443 1 1082 . 1 . 1 86 86 ARG HA H 1 4.136 0.004 . 1 . . . . B 86 ARG HA . 34443 1 1083 . 1 . 1 86 86 ARG HB2 H 1 2.012 0.010 . 1 . . . . B 86 ARG HB2 . 34443 1 1084 . 1 . 1 86 86 ARG HB3 H 1 2.012 0.010 . 1 . . . . B 86 ARG HB3 . 34443 1 1085 . 1 . 1 86 86 ARG HG2 H 1 1.799 0.006 . 2 . . . . B 86 ARG HG2 . 34443 1 1086 . 1 . 1 86 86 ARG HG3 H 1 1.660 0.009 . 2 . . . . B 86 ARG HG3 . 34443 1 1087 . 1 . 1 86 86 ARG HD2 H 1 3.235 0.017 . 2 . . . . B 86 ARG HD2 . 34443 1 1088 . 1 . 1 86 86 ARG HD3 H 1 3.222 0.008 . 2 . . . . B 86 ARG HD3 . 34443 1 1089 . 1 . 1 86 86 ARG C C 13 178.566 0.000 . 1 . . . . B 86 ARG C . 34443 1 1090 . 1 . 1 86 86 ARG CA C 13 59.599 0.043 . 1 . . . . B 86 ARG CA . 34443 1 1091 . 1 . 1 86 86 ARG CB C 13 29.970 0.083 . 1 . . . . B 86 ARG CB . 34443 1 1092 . 1 . 1 86 86 ARG CG C 13 27.487 0.005 . 1 . . . . B 86 ARG CG . 34443 1 1093 . 1 . 1 86 86 ARG CD C 13 43.444 0.001 . 1 . . . . B 86 ARG CD . 34443 1 1094 . 1 . 1 86 86 ARG N N 15 119.735 0.035 . 1 . . . . B 86 ARG N . 34443 1 1095 . 1 . 1 87 87 LEU H H 1 8.682 0.004 . 1 . . . . B 87 LEU H . 34443 1 1096 . 1 . 1 87 87 LEU HA H 1 4.249 0.002 . 1 . . . . B 87 LEU HA . 34443 1 1097 . 1 . 1 87 87 LEU HB2 H 1 2.210 0.003 . 2 . . . . B 87 LEU HB2 . 34443 1 1098 . 1 . 1 87 87 LEU HB3 H 1 1.505 0.006 . 2 . . . . B 87 LEU HB3 . 34443 1 1099 . 1 . 1 87 87 LEU HG H 1 2.138 0.005 . 1 . . . . B 87 LEU HG . 34443 1 1100 . 1 . 1 87 87 LEU HD11 H 1 1.097 0.005 . 2 . . . . B 87 LEU HD11 . 34443 1 1101 . 1 . 1 87 87 LEU HD12 H 1 1.097 0.005 . 2 . . . . B 87 LEU HD12 . 34443 1 1102 . 1 . 1 87 87 LEU HD13 H 1 1.097 0.005 . 2 . . . . B 87 LEU HD13 . 34443 1 1103 . 1 . 1 87 87 LEU HD21 H 1 1.028 0.003 . 2 . . . . B 87 LEU HD21 . 34443 1 1104 . 1 . 1 87 87 LEU HD22 H 1 1.028 0.003 . 2 . . . . B 87 LEU HD22 . 34443 1 1105 . 1 . 1 87 87 LEU HD23 H 1 1.028 0.003 . 2 . . . . B 87 LEU HD23 . 34443 1 1106 . 1 . 1 87 87 LEU C C 13 177.669 0.000 . 1 . . . . B 87 LEU C . 34443 1 1107 . 1 . 1 87 87 LEU CA C 13 57.576 0.068 . 1 . . . . B 87 LEU CA . 34443 1 1108 . 1 . 1 87 87 LEU CB C 13 43.878 0.123 . 1 . . . . B 87 LEU CB . 34443 1 1109 . 1 . 1 87 87 LEU CG C 13 27.109 0.004 . 1 . . . . B 87 LEU CG . 34443 1 1110 . 1 . 1 87 87 LEU CD1 C 13 23.977 0.024 . 2 . . . . B 87 LEU CD1 . 34443 1 1111 . 1 . 1 87 87 LEU CD2 C 13 27.111 0.004 . 2 . . . . B 87 LEU CD2 . 34443 1 1112 . 1 . 1 87 87 LEU N N 15 120.490 0.030 . 1 . . . . B 87 LEU N . 34443 1 1113 . 1 . 1 88 88 PHE H H 1 8.901 0.004 . 1 . . . . B 88 PHE H . 34443 1 1114 . 1 . 1 88 88 PHE HA H 1 3.941 0.006 . 1 . . . . B 88 PHE HA . 34443 1 1115 . 1 . 1 88 88 PHE HB2 H 1 2.951 0.001 . 2 . . . . B 88 PHE HB2 . 34443 1 1116 . 1 . 1 88 88 PHE HB3 H 1 3.198 0.010 . 2 . . . . B 88 PHE HB3 . 34443 1 1117 . 1 . 1 88 88 PHE HD1 H 1 7.041 0.003 . 1 . . . . B 88 PHE HD1 . 34443 1 1118 . 1 . 1 88 88 PHE HD2 H 1 7.041 0.003 . 1 . . . . B 88 PHE HD2 . 34443 1 1119 . 1 . 1 88 88 PHE HE1 H 1 7.197 0.003 . 1 . . . . B 88 PHE HE1 . 34443 1 1120 . 1 . 1 88 88 PHE HE2 H 1 7.197 0.003 . 1 . . . . B 88 PHE HE2 . 34443 1 1121 . 1 . 1 88 88 PHE HZ H 1 7.093 0.000 . 1 . . . . B 88 PHE HZ . 34443 1 1122 . 1 . 1 88 88 PHE C C 13 176.156 0.000 . 1 . . . . B 88 PHE C . 34443 1 1123 . 1 . 1 88 88 PHE CA C 13 62.858 0.046 . 1 . . . . B 88 PHE CA . 34443 1 1124 . 1 . 1 88 88 PHE CB C 13 39.263 0.037 . 1 . . . . B 88 PHE CB . 34443 1 1125 . 1 . 1 88 88 PHE CD1 C 13 131.793 0.004 . 1 . . . . B 88 PHE CD1 . 34443 1 1126 . 1 . 1 88 88 PHE CD2 C 13 131.793 0.004 . 1 . . . . B 88 PHE CD2 . 34443 1 1127 . 1 . 1 88 88 PHE CE1 C 13 130.949 0.029 . 1 . . . . B 88 PHE CE1 . 34443 1 1128 . 1 . 1 88 88 PHE CE2 C 13 130.949 0.029 . 1 . . . . B 88 PHE CE2 . 34443 1 1129 . 1 . 1 88 88 PHE CZ C 13 131.591 0.000 . 1 . . . . B 88 PHE CZ . 34443 1 1130 . 1 . 1 88 88 PHE N N 15 119.859 0.049 . 1 . . . . B 88 PHE N . 34443 1 1131 . 1 . 1 89 89 GLU H H 1 8.191 0.004 . 1 . . . . B 89 GLU H . 34443 1 1132 . 1 . 1 89 89 GLU HA H 1 3.748 0.008 . 1 . . . . B 89 GLU HA . 34443 1 1133 . 1 . 1 89 89 GLU HB2 H 1 2.062 0.016 . 2 . . . . B 89 GLU HB2 . 34443 1 1134 . 1 . 1 89 89 GLU HB3 H 1 2.201 0.016 . 2 . . . . B 89 GLU HB3 . 34443 1 1135 . 1 . 1 89 89 GLU HG2 H 1 2.398 0.014 . 2 . . . . B 89 GLU HG2 . 34443 1 1136 . 1 . 1 89 89 GLU HG3 H 1 2.517 0.003 . 2 . . . . B 89 GLU HG3 . 34443 1 1137 . 1 . 1 89 89 GLU C C 13 177.913 0.000 . 1 . . . . B 89 GLU C . 34443 1 1138 . 1 . 1 89 89 GLU CA C 13 59.306 0.017 . 1 . . . . B 89 GLU CA . 34443 1 1139 . 1 . 1 89 89 GLU CB C 13 29.080 0.133 . 1 . . . . B 89 GLU CB . 34443 1 1140 . 1 . 1 89 89 GLU CG C 13 36.272 0.017 . 1 . . . . B 89 GLU CG . 34443 1 1141 . 1 . 1 89 89 GLU N N 15 116.333 0.028 . 1 . . . . B 89 GLU N . 34443 1 1142 . 1 . 1 90 90 GLU H H 1 7.919 0.008 . 1 . . . . B 90 GLU H . 34443 1 1143 . 1 . 1 90 90 GLU HA H 1 3.748 0.014 . 1 . . . . B 90 GLU HA . 34443 1 1144 . 1 . 1 90 90 GLU HB2 H 1 1.469 0.009 . 2 . . . . B 90 GLU HB2 . 34443 1 1145 . 1 . 1 90 90 GLU HB3 H 1 1.769 0.000 . 2 . . . . B 90 GLU HB3 . 34443 1 1146 . 1 . 1 90 90 GLU HG2 H 1 1.024 0.003 . 2 . . . . B 90 GLU HG2 . 34443 1 1147 . 1 . 1 90 90 GLU HG3 H 1 1.687 0.002 . 2 . . . . B 90 GLU HG3 . 34443 1 1148 . 1 . 1 90 90 GLU C C 13 177.789 0.000 . 1 . . . . B 90 GLU C . 34443 1 1149 . 1 . 1 90 90 GLU CA C 13 58.908 0.035 . 1 . . . . B 90 GLU CA . 34443 1 1150 . 1 . 1 90 90 GLU CB C 13 29.334 0.217 . 1 . . . . B 90 GLU CB . 34443 1 1151 . 1 . 1 90 90 GLU CG C 13 34.846 0.043 . 1 . . . . B 90 GLU CG . 34443 1 1152 . 1 . 1 90 90 GLU N N 15 118.264 0.043 . 1 . . . . B 90 GLU N . 34443 1 1153 . 1 . 1 91 91 PHE H H 1 7.749 0.005 . 1 . . . . B 91 PHE H . 34443 1 1154 . 1 . 1 91 91 PHE HA H 1 4.810 0.008 . 1 . . . . B 91 PHE HA . 34443 1 1155 . 1 . 1 91 91 PHE HB2 H 1 2.676 0.005 . 2 . . . . B 91 PHE HB2 . 34443 1 1156 . 1 . 1 91 91 PHE HB3 H 1 3.361 0.012 . 2 . . . . B 91 PHE HB3 . 34443 1 1157 . 1 . 1 91 91 PHE HD1 H 1 7.087 0.000 . 1 . . . . B 91 PHE HD1 . 34443 1 1158 . 1 . 1 91 91 PHE HD2 H 1 7.087 0.000 . 1 . . . . B 91 PHE HD2 . 34443 1 1159 . 1 . 1 91 91 PHE HE1 H 1 7.298 0.000 . 1 . . . . B 91 PHE HE1 . 34443 1 1160 . 1 . 1 91 91 PHE HE2 H 1 7.298 0.000 . 1 . . . . B 91 PHE HE2 . 34443 1 1161 . 1 . 1 91 91 PHE HZ H 1 7.095 0.000 . 1 . . . . B 91 PHE HZ . 34443 1 1162 . 1 . 1 91 91 PHE C C 13 176.841 0.000 . 1 . . . . B 91 PHE C . 34443 1 1163 . 1 . 1 91 91 PHE CA C 13 58.431 0.051 . 1 . . . . B 91 PHE CA . 34443 1 1164 . 1 . 1 91 91 PHE CB C 13 39.721 0.119 . 1 . . . . B 91 PHE CB . 34443 1 1165 . 1 . 1 91 91 PHE CD1 C 13 131.061 0.000 . 1 . . . . B 91 PHE CD1 . 34443 1 1166 . 1 . 1 91 91 PHE CD2 C 13 131.061 0.000 . 1 . . . . B 91 PHE CD2 . 34443 1 1167 . 1 . 1 91 91 PHE CE1 C 13 131.267 0.000 . 1 . . . . B 91 PHE CE1 . 34443 1 1168 . 1 . 1 91 91 PHE CE2 C 13 131.267 0.000 . 1 . . . . B 91 PHE CE2 . 34443 1 1169 . 1 . 1 91 91 PHE CZ C 13 131.413 0.000 . 1 . . . . B 91 PHE CZ . 34443 1 1170 . 1 . 1 91 91 PHE N N 15 113.253 0.026 . 1 . . . . B 91 PHE N . 34443 1 1171 . 1 . 1 92 92 ARG H H 1 7.847 0.005 . 1 . . . . B 92 ARG H . 34443 1 1172 . 1 . 1 92 92 ARG HA H 1 3.590 0.008 . 1 . . . . B 92 ARG HA . 34443 1 1173 . 1 . 1 92 92 ARG HB2 H 1 1.092 0.008 . 2 . . . . B 92 ARG HB2 . 34443 1 1174 . 1 . 1 92 92 ARG HB3 H 1 1.521 0.007 . 2 . . . . B 92 ARG HB3 . 34443 1 1175 . 1 . 1 92 92 ARG HG2 H 1 1.265 0.011 . 2 . . . . B 92 ARG HG2 . 34443 1 1176 . 1 . 1 92 92 ARG HG3 H 1 1.514 0.003 . 2 . . . . B 92 ARG HG3 . 34443 1 1177 . 1 . 1 92 92 ARG HD2 H 1 2.909 0.005 . 2 . . . . B 92 ARG HD2 . 34443 1 1178 . 1 . 1 92 92 ARG HD3 H 1 3.028 0.005 . 2 . . . . B 92 ARG HD3 . 34443 1 1179 . 1 . 1 92 92 ARG HE H 1 7.323 0.002 . 1 . . . . B 92 ARG HE . 34443 1 1180 . 1 . 1 92 92 ARG C C 13 175.985 0.000 . 1 . . . . B 92 ARG C . 34443 1 1181 . 1 . 1 92 92 ARG CA C 13 59.634 0.038 . 1 . . . . B 92 ARG CA . 34443 1 1182 . 1 . 1 92 92 ARG CB C 13 29.048 0.077 . 1 . . . . B 92 ARG CB . 34443 1 1183 . 1 . 1 92 92 ARG CG C 13 25.150 0.034 . 1 . . . . B 92 ARG CG . 34443 1 1184 . 1 . 1 92 92 ARG CD C 13 43.944 0.028 . 1 . . . . B 92 ARG CD . 34443 1 1185 . 1 . 1 92 92 ARG N N 15 123.041 0.023 . 1 . . . . B 92 ARG N . 34443 1 1186 . 1 . 1 92 92 ARG NE N 15 85.061 0.010 . 1 . . . . B 92 ARG NE . 34443 1 1187 . 1 . 1 93 93 ASP H H 1 8.381 0.004 . 1 . . . . B 93 ASP H . 34443 1 1188 . 1 . 1 93 93 ASP HA H 1 4.930 0.005 . 1 . . . . B 93 ASP HA . 34443 1 1189 . 1 . 1 93 93 ASP HB2 H 1 2.847 0.009 . 2 . . . . B 93 ASP HB2 . 34443 1 1190 . 1 . 1 93 93 ASP HB3 H 1 2.474 0.003 . 2 . . . . B 93 ASP HB3 . 34443 1 1191 . 1 . 1 93 93 ASP C C 13 175.975 0.000 . 1 . . . . B 93 ASP C . 34443 1 1192 . 1 . 1 93 93 ASP CA C 13 54.025 0.072 . 1 . . . . B 93 ASP CA . 34443 1 1193 . 1 . 1 93 93 ASP CB C 13 40.705 0.024 . 1 . . . . B 93 ASP CB . 34443 1 1194 . 1 . 1 93 93 ASP N N 15 117.849 0.014 . 1 . . . . B 93 ASP N . 34443 1 1195 . 1 . 1 94 94 SER H H 1 7.830 0.003 . 1 . . . . B 94 SER H . 34443 1 1196 . 1 . 1 94 94 SER HA H 1 4.529 0.000 . 1 . . . . B 94 SER HA . 34443 1 1197 . 1 . 1 94 94 SER HB2 H 1 4.005 0.000 . 2 . . . . B 94 SER HB2 . 34443 1 1198 . 1 . 1 94 94 SER HB3 H 1 4.176 0.000 . 2 . . . . B 94 SER HB3 . 34443 1 1199 . 1 . 1 94 94 SER C C 13 174.579 0.000 . 1 . . . . B 94 SER C . 34443 1 1200 . 1 . 1 94 94 SER CA C 13 58.571 0.012 . 1 . . . . B 94 SER CA . 34443 1 1201 . 1 . 1 94 94 SER CB C 13 65.205 0.020 . 1 . . . . B 94 SER CB . 34443 1 1202 . 1 . 1 94 94 SER N N 15 116.033 0.011 . 1 . . . . B 94 SER N . 34443 1 1203 . 1 . 1 95 95 ASP H H 1 8.712 0.002 . 1 . . . . B 95 ASP H . 34443 1 1204 . 1 . 1 95 95 ASP HA H 1 4.534 0.002 . 1 . . . . B 95 ASP HA . 34443 1 1205 . 1 . 1 95 95 ASP HB2 H 1 2.777 0.005 . 1 . . . . B 95 ASP HB2 . 34443 1 1206 . 1 . 1 95 95 ASP HB3 H 1 2.777 0.005 . 1 . . . . B 95 ASP HB3 . 34443 1 1207 . 1 . 1 95 95 ASP C C 13 176.061 0.000 . 1 . . . . B 95 ASP C . 34443 1 1208 . 1 . 1 95 95 ASP CA C 13 55.394 0.053 . 1 . . . . B 95 ASP CA . 34443 1 1209 . 1 . 1 95 95 ASP CB C 13 40.757 0.069 . 1 . . . . B 95 ASP CB . 34443 1 1210 . 1 . 1 95 95 ASP N N 15 119.351 0.012 . 1 . . . . B 95 ASP N . 34443 1 1211 . 1 . 1 96 96 ASP H H 1 7.877 0.003 . 1 . . . . B 96 ASP H . 34443 1 1212 . 1 . 1 96 96 ASP HA H 1 4.787 0.000 . 1 . . . . B 96 ASP HA . 34443 1 1213 . 1 . 1 96 96 ASP HB2 H 1 2.543 0.018 . 2 . . . . B 96 ASP HB2 . 34443 1 1214 . 1 . 1 96 96 ASP HB3 H 1 2.575 0.014 . 2 . . . . B 96 ASP HB3 . 34443 1 1215 . 1 . 1 96 96 ASP C C 13 175.336 0.000 . 1 . . . . B 96 ASP C . 34443 1 1216 . 1 . 1 96 96 ASP CA C 13 53.107 0.079 . 1 . . . . B 96 ASP CA . 34443 1 1217 . 1 . 1 96 96 ASP CB C 13 39.803 0.089 . 1 . . . . B 96 ASP CB . 34443 1 1218 . 1 . 1 96 96 ASP N N 15 117.640 0.028 . 1 . . . . B 96 ASP N . 34443 1 1219 . 1 . 1 97 97 VAL H H 1 8.638 0.003 . 1 . . . . B 97 VAL H . 34443 1 1220 . 1 . 1 97 97 VAL HA H 1 3.664 0.005 . 1 . . . . B 97 VAL HA . 34443 1 1221 . 1 . 1 97 97 VAL HB H 1 2.196 0.003 . 1 . . . . B 97 VAL HB . 34443 1 1222 . 1 . 1 97 97 VAL HG11 H 1 0.994 0.005 . 2 . . . . B 97 VAL HG11 . 34443 1 1223 . 1 . 1 97 97 VAL HG12 H 1 0.994 0.005 . 2 . . . . B 97 VAL HG12 . 34443 1 1224 . 1 . 1 97 97 VAL HG13 H 1 0.994 0.005 . 2 . . . . B 97 VAL HG13 . 34443 1 1225 . 1 . 1 97 97 VAL HG21 H 1 1.044 0.006 . 2 . . . . B 97 VAL HG21 . 34443 1 1226 . 1 . 1 97 97 VAL HG22 H 1 1.044 0.006 . 2 . . . . B 97 VAL HG22 . 34443 1 1227 . 1 . 1 97 97 VAL HG23 H 1 1.044 0.006 . 2 . . . . B 97 VAL HG23 . 34443 1 1228 . 1 . 1 97 97 VAL C C 13 176.556 0.000 . 1 . . . . B 97 VAL C . 34443 1 1229 . 1 . 1 97 97 VAL CA C 13 66.419 0.061 . 1 . . . . B 97 VAL CA . 34443 1 1230 . 1 . 1 97 97 VAL CB C 13 31.408 0.047 . 1 . . . . B 97 VAL CB . 34443 1 1231 . 1 . 1 97 97 VAL CG1 C 13 22.416 0.019 . 2 . . . . B 97 VAL CG1 . 34443 1 1232 . 1 . 1 97 97 VAL CG2 C 13 20.222 0.021 . 2 . . . . B 97 VAL CG2 . 34443 1 1233 . 1 . 1 97 97 VAL N N 15 125.346 0.015 . 1 . . . . B 97 VAL N . 34443 1 1234 . 1 . 1 98 98 LEU H H 1 8.581 0.005 . 1 . . . . B 98 LEU H . 34443 1 1235 . 1 . 1 98 98 LEU HA H 1 3.986 0.008 . 1 . . . . B 98 LEU HA . 34443 1 1236 . 1 . 1 98 98 LEU HB2 H 1 1.433 0.008 . 2 . . . . B 98 LEU HB2 . 34443 1 1237 . 1 . 1 98 98 LEU HB3 H 1 1.822 0.006 . 2 . . . . B 98 LEU HB3 . 34443 1 1238 . 1 . 1 98 98 LEU HG H 1 1.708 0.000 . 1 . . . . B 98 LEU HG . 34443 1 1239 . 1 . 1 98 98 LEU HD11 H 1 0.849 0.002 . 2 . . . . B 98 LEU HD11 . 34443 1 1240 . 1 . 1 98 98 LEU HD12 H 1 0.849 0.002 . 2 . . . . B 98 LEU HD12 . 34443 1 1241 . 1 . 1 98 98 LEU HD13 H 1 0.849 0.002 . 2 . . . . B 98 LEU HD13 . 34443 1 1242 . 1 . 1 98 98 LEU HD21 H 1 0.889 0.003 . 2 . . . . B 98 LEU HD21 . 34443 1 1243 . 1 . 1 98 98 LEU HD22 H 1 0.889 0.003 . 2 . . . . B 98 LEU HD22 . 34443 1 1244 . 1 . 1 98 98 LEU HD23 H 1 0.889 0.003 . 2 . . . . B 98 LEU HD23 . 34443 1 1245 . 1 . 1 98 98 LEU C C 13 177.877 0.000 . 1 . . . . B 98 LEU C . 34443 1 1246 . 1 . 1 98 98 LEU CA C 13 57.534 0.100 . 1 . . . . B 98 LEU CA . 34443 1 1247 . 1 . 1 98 98 LEU CB C 13 41.519 0.042 . 1 . . . . B 98 LEU CB . 34443 1 1248 . 1 . 1 98 98 LEU CG C 13 27.223 0.000 . 1 . . . . B 98 LEU CG . 34443 1 1249 . 1 . 1 98 98 LEU CD1 C 13 24.236 0.000 . 2 . . . . B 98 LEU CD1 . 34443 1 1250 . 1 . 1 98 98 LEU CD2 C 13 25.051 0.001 . 2 . . . . B 98 LEU CD2 . 34443 1 1251 . 1 . 1 98 98 LEU N N 15 119.177 0.076 . 1 . . . . B 98 LEU N . 34443 1 1252 . 1 . 1 99 99 GLY H H 1 7.844 0.004 . 1 . . . . B 99 GLY H . 34443 1 1253 . 1 . 1 99 99 GLY HA2 H 1 3.824 0.001 . 2 . . . . B 99 GLY HA2 . 34443 1 1254 . 1 . 1 99 99 GLY HA3 H 1 3.604 0.007 . 2 . . . . B 99 GLY HA3 . 34443 1 1255 . 1 . 1 99 99 GLY C C 13 176.841 0.000 . 1 . . . . B 99 GLY C . 34443 1 1256 . 1 . 1 99 99 GLY CA C 13 47.581 0.050 . 1 . . . . B 99 GLY CA . 34443 1 1257 . 1 . 1 99 99 GLY N N 15 107.745 0.047 . 1 . . . . B 99 GLY N . 34443 1 1258 . 1 . 1 100 100 HIS H H 1 7.751 0.003 . 1 . . . . B 100 HIS H . 34443 1 1259 . 1 . 1 100 100 HIS HA H 1 3.945 0.013 . 1 . . . . B 100 HIS HA . 34443 1 1260 . 1 . 1 100 100 HIS HB2 H 1 0.989 0.011 . 2 . . . . B 100 HIS HB2 . 34443 1 1261 . 1 . 1 100 100 HIS HB3 H 1 2.292 0.002 . 2 . . . . B 100 HIS HB3 . 34443 1 1262 . 1 . 1 100 100 HIS HD2 H 1 7.084 0.000 . 1 . . . . B 100 HIS HD2 . 34443 1 1263 . 1 . 1 100 100 HIS HE1 H 1 7.975 0.000 . 1 . . . . B 100 HIS HE1 . 34443 1 1264 . 1 . 1 100 100 HIS C C 13 177.871 0.000 . 1 . . . . B 100 HIS C . 34443 1 1265 . 1 . 1 100 100 HIS CA C 13 59.917 0.061 . 1 . . . . B 100 HIS CA . 34443 1 1266 . 1 . 1 100 100 HIS CB C 13 28.534 0.074 . 1 . . . . B 100 HIS CB . 34443 1 1267 . 1 . 1 100 100 HIS CD2 C 13 120.843 0.000 . 1 . . . . B 100 HIS CD2 . 34443 1 1268 . 1 . 1 100 100 HIS CE1 C 13 138.212 0.000 . 1 . . . . B 100 HIS CE1 . 34443 1 1269 . 1 . 1 100 100 HIS N N 15 119.306 0.036 . 1 . . . . B 100 HIS N . 34443 1 1270 . 1 . 1 101 101 ILE H H 1 8.308 0.007 . 1 . . . . B 101 ILE H . 34443 1 1271 . 1 . 1 101 101 ILE HA H 1 3.630 0.014 . 1 . . . . B 101 ILE HA . 34443 1 1272 . 1 . 1 101 101 ILE HB H 1 2.043 0.000 . 1 . . . . B 101 ILE HB . 34443 1 1273 . 1 . 1 101 101 ILE HG21 H 1 0.987 0.002 . 1 . . . . B 101 ILE HG21 . 34443 1 1274 . 1 . 1 101 101 ILE HG22 H 1 0.987 0.002 . 1 . . . . B 101 ILE HG22 . 34443 1 1275 . 1 . 1 101 101 ILE HG23 H 1 0.987 0.002 . 1 . . . . B 101 ILE HG23 . 34443 1 1276 . 1 . 1 101 101 ILE HD11 H 1 1.016 0.010 . 1 . . . . B 101 ILE HD11 . 34443 1 1277 . 1 . 1 101 101 ILE HD12 H 1 1.016 0.010 . 1 . . . . B 101 ILE HD12 . 34443 1 1278 . 1 . 1 101 101 ILE HD13 H 1 1.016 0.010 . 1 . . . . B 101 ILE HD13 . 34443 1 1279 . 1 . 1 101 101 ILE C C 13 177.056 0.000 . 1 . . . . B 101 ILE C . 34443 1 1280 . 1 . 1 101 101 ILE CA C 13 67.205 0.042 . 1 . . . . B 101 ILE CA . 34443 1 1281 . 1 . 1 101 101 ILE CB C 13 38.414 0.076 . 1 . . . . B 101 ILE CB . 34443 1 1282 . 1 . 1 101 101 ILE CG2 C 13 17.856 0.014 . 1 . . . . B 101 ILE CG2 . 34443 1 1283 . 1 . 1 101 101 ILE CD1 C 13 15.270 0.158 . 1 . . . . B 101 ILE CD1 . 34443 1 1284 . 1 . 1 101 101 ILE N N 15 120.781 0.050 . 1 . . . . B 101 ILE N . 34443 1 1285 . 1 . 1 102 102 MET H H 1 8.597 0.004 . 1 . . . . B 102 MET H . 34443 1 1286 . 1 . 1 102 102 MET HA H 1 4.049 0.000 . 1 . . . . B 102 MET HA . 34443 1 1287 . 1 . 1 102 102 MET HB2 H 1 2.114 0.000 . 2 . . . . B 102 MET HB2 . 34443 1 1288 . 1 . 1 102 102 MET HB3 H 1 2.178 0.000 . 2 . . . . B 102 MET HB3 . 34443 1 1289 . 1 . 1 102 102 MET HG2 H 1 2.581 0.000 . 2 . . . . B 102 MET HG2 . 34443 1 1290 . 1 . 1 102 102 MET HG3 H 1 2.738 0.000 . 2 . . . . B 102 MET HG3 . 34443 1 1291 . 1 . 1 102 102 MET HE1 H 1 2.159 0.000 . 1 . . . . B 102 MET HE1 . 34443 1 1292 . 1 . 1 102 102 MET HE2 H 1 2.159 0.000 . 1 . . . . B 102 MET HE2 . 34443 1 1293 . 1 . 1 102 102 MET HE3 H 1 2.159 0.000 . 1 . . . . B 102 MET HE3 . 34443 1 1294 . 1 . 1 102 102 MET C C 13 177.481 0.000 . 1 . . . . B 102 MET C . 34443 1 1295 . 1 . 1 102 102 MET CA C 13 58.413 0.119 . 1 . . . . B 102 MET CA . 34443 1 1296 . 1 . 1 102 102 MET CB C 13 32.092 0.085 . 1 . . . . B 102 MET CB . 34443 1 1297 . 1 . 1 102 102 MET CG C 13 32.457 0.003 . 1 . . . . B 102 MET CG . 34443 1 1298 . 1 . 1 102 102 MET CE C 13 16.266 0.000 . 1 . . . . B 102 MET CE . 34443 1 1299 . 1 . 1 102 102 MET N N 15 116.345 0.031 . 1 . . . . B 102 MET N . 34443 1 1300 . 1 . 1 103 103 LYS H H 1 7.471 0.003 . 1 . . . . B 103 LYS H . 34443 1 1301 . 1 . 1 103 103 LYS HA H 1 4.150 0.007 . 1 . . . . B 103 LYS HA . 34443 1 1302 . 1 . 1 103 103 LYS HB2 H 1 1.806 0.003 . 1 . . . . B 103 LYS HB2 . 34443 1 1303 . 1 . 1 103 103 LYS HB3 H 1 1.806 0.003 . 1 . . . . B 103 LYS HB3 . 34443 1 1304 . 1 . 1 103 103 LYS HG2 H 1 1.447 0.008 . 1 . . . . B 103 LYS HG2 . 34443 1 1305 . 1 . 1 103 103 LYS HG3 H 1 1.447 0.008 . 1 . . . . B 103 LYS HG3 . 34443 1 1306 . 1 . 1 103 103 LYS HD2 H 1 1.576 0.004 . 2 . . . . B 103 LYS HD2 . 34443 1 1307 . 1 . 1 103 103 LYS HD3 H 1 1.582 0.010 . 2 . . . . B 103 LYS HD3 . 34443 1 1308 . 1 . 1 103 103 LYS HE2 H 1 2.884 0.003 . 1 . . . . B 103 LYS HE2 . 34443 1 1309 . 1 . 1 103 103 LYS HE3 H 1 2.884 0.003 . 1 . . . . B 103 LYS HE3 . 34443 1 1310 . 1 . 1 103 103 LYS C C 13 176.669 0.000 . 1 . . . . B 103 LYS C . 34443 1 1311 . 1 . 1 103 103 LYS CA C 13 58.103 0.061 . 1 . . . . B 103 LYS CA . 34443 1 1312 . 1 . 1 103 103 LYS CB C 13 33.237 0.025 . 1 . . . . B 103 LYS CB . 34443 1 1313 . 1 . 1 103 103 LYS CG C 13 24.959 0.004 . 1 . . . . B 103 LYS CG . 34443 1 1314 . 1 . 1 103 103 LYS CD C 13 29.134 0.023 . 1 . . . . B 103 LYS CD . 34443 1 1315 . 1 . 1 103 103 LYS CE C 13 42.025 0.006 . 1 . . . . B 103 LYS CE . 34443 1 1316 . 1 . 1 103 103 LYS N N 15 115.835 0.024 . 1 . . . . B 103 LYS N . 34443 1 1317 . 1 . 1 104 104 ASN H H 1 7.371 0.004 . 1 . . . . B 104 ASN H . 34443 1 1318 . 1 . 1 104 104 ASN HA H 1 4.821 0.001 . 1 . . . . B 104 ASN HA . 34443 1 1319 . 1 . 1 104 104 ASN HB2 H 1 2.892 0.001 . 2 . . . . B 104 ASN HB2 . 34443 1 1320 . 1 . 1 104 104 ASN HB3 H 1 2.616 0.005 . 2 . . . . B 104 ASN HB3 . 34443 1 1321 . 1 . 1 104 104 ASN C C 13 175.120 0.000 . 1 . . . . B 104 ASN C . 34443 1 1322 . 1 . 1 104 104 ASN CA C 13 54.537 0.091 . 1 . . . . B 104 ASN CA . 34443 1 1323 . 1 . 1 104 104 ASN CB C 13 42.949 0.056 . 1 . . . . B 104 ASN CB . 34443 1 1324 . 1 . 1 104 104 ASN N N 15 114.752 0.033 . 1 . . . . B 104 ASN N . 34443 1 1325 . 1 . 1 105 105 ILE H H 1 8.079 0.003 . 1 . . . . B 105 ILE H . 34443 1 1326 . 1 . 1 105 105 ILE HA H 1 4.217 0.007 . 1 . . . . B 105 ILE HA . 34443 1 1327 . 1 . 1 105 105 ILE HB H 1 1.955 0.003 . 1 . . . . B 105 ILE HB . 34443 1 1328 . 1 . 1 105 105 ILE HG12 H 1 1.401 0.009 . 2 . . . . B 105 ILE HG12 . 34443 1 1329 . 1 . 1 105 105 ILE HG13 H 1 1.573 0.003 . 2 . . . . B 105 ILE HG13 . 34443 1 1330 . 1 . 1 105 105 ILE HG21 H 1 1.032 0.004 . 1 . . . . B 105 ILE HG21 . 34443 1 1331 . 1 . 1 105 105 ILE HG22 H 1 1.032 0.004 . 1 . . . . B 105 ILE HG22 . 34443 1 1332 . 1 . 1 105 105 ILE HG23 H 1 1.032 0.004 . 1 . . . . B 105 ILE HG23 . 34443 1 1333 . 1 . 1 105 105 ILE HD11 H 1 1.046 0.004 . 1 . . . . B 105 ILE HD11 . 34443 1 1334 . 1 . 1 105 105 ILE HD12 H 1 1.046 0.004 . 1 . . . . B 105 ILE HD12 . 34443 1 1335 . 1 . 1 105 105 ILE HD13 H 1 1.046 0.004 . 1 . . . . B 105 ILE HD13 . 34443 1 1336 . 1 . 1 105 105 ILE C C 13 175.719 0.000 . 1 . . . . B 105 ILE C . 34443 1 1337 . 1 . 1 105 105 ILE CA C 13 62.554 0.086 . 1 . . . . B 105 ILE CA . 34443 1 1338 . 1 . 1 105 105 ILE CB C 13 39.075 0.042 . 1 . . . . B 105 ILE CB . 34443 1 1339 . 1 . 1 105 105 ILE CG1 C 13 28.496 0.100 . 1 . . . . B 105 ILE CG1 . 34443 1 1340 . 1 . 1 105 105 ILE CG2 C 13 16.954 0.009 . 1 . . . . B 105 ILE CG2 . 34443 1 1341 . 1 . 1 105 105 ILE CD1 C 13 15.003 0.019 . 1 . . . . B 105 ILE CD1 . 34443 1 1342 . 1 . 1 105 105 ILE N N 15 122.203 0.024 . 1 . . . . B 105 ILE N . 34443 1 1343 . 1 . 1 106 106 THR H H 1 9.162 0.005 . 1 . . . . B 106 THR H . 34443 1 1344 . 1 . 1 106 106 THR HA H 1 4.062 0.005 . 1 . . . . B 106 THR HA . 34443 1 1345 . 1 . 1 106 106 THR HB H 1 4.366 0.006 . 1 . . . . B 106 THR HB . 34443 1 1346 . 1 . 1 106 106 THR HG21 H 1 1.305 0.003 . 1 . . . . B 106 THR HG21 . 34443 1 1347 . 1 . 1 106 106 THR HG22 H 1 1.305 0.003 . 1 . . . . B 106 THR HG22 . 34443 1 1348 . 1 . 1 106 106 THR HG23 H 1 1.305 0.003 . 1 . . . . B 106 THR HG23 . 34443 1 1349 . 1 . 1 106 106 THR C C 13 175.354 0.000 . 1 . . . . B 106 THR C . 34443 1 1350 . 1 . 1 106 106 THR CA C 13 65.482 0.064 . 1 . . . . B 106 THR CA . 34443 1 1351 . 1 . 1 106 106 THR CB C 13 68.926 0.032 . 1 . . . . B 106 THR CB . 34443 1 1352 . 1 . 1 106 106 THR CG2 C 13 21.553 0.019 . 1 . . . . B 106 THR CG2 . 34443 1 1353 . 1 . 1 106 106 THR N N 15 120.464 0.043 . 1 . . . . B 106 THR N . 34443 1 1354 . 1 . 1 107 107 ALA H H 1 7.638 0.004 . 1 . . . . B 107 ALA H . 34443 1 1355 . 1 . 1 107 107 ALA HA H 1 4.456 0.003 . 1 . . . . B 107 ALA HA . 34443 1 1356 . 1 . 1 107 107 ALA HB1 H 1 1.155 0.005 . 1 . . . . B 107 ALA HB1 . 34443 1 1357 . 1 . 1 107 107 ALA HB2 H 1 1.155 0.005 . 1 . . . . B 107 ALA HB2 . 34443 1 1358 . 1 . 1 107 107 ALA HB3 H 1 1.155 0.005 . 1 . . . . B 107 ALA HB3 . 34443 1 1359 . 1 . 1 107 107 ALA C C 13 175.855 0.000 . 1 . . . . B 107 ALA C . 34443 1 1360 . 1 . 1 107 107 ALA CA C 13 50.884 0.021 . 1 . . . . B 107 ALA CA . 34443 1 1361 . 1 . 1 107 107 ALA CB C 13 18.747 0.045 . 1 . . . . B 107 ALA CB . 34443 1 1362 . 1 . 1 107 107 ALA N N 15 125.047 0.029 . 1 . . . . B 107 ALA N . 34443 1 1363 . 1 . 1 108 108 LYS H H 1 8.192 0.004 . 1 . . . . B 108 LYS H . 34443 1 1364 . 1 . 1 108 108 LYS HA H 1 4.084 0.007 . 1 . . . . B 108 LYS HA . 34443 1 1365 . 1 . 1 108 108 LYS HB2 H 1 1.734 0.000 . 1 . . . . B 108 LYS HB2 . 34443 1 1366 . 1 . 1 108 108 LYS HB3 H 1 1.734 0.000 . 1 . . . . B 108 LYS HB3 . 34443 1 1367 . 1 . 1 108 108 LYS HG2 H 1 1.400 0.000 . 2 . . . . B 108 LYS HG2 . 34443 1 1368 . 1 . 1 108 108 LYS HG3 H 1 1.460 0.000 . 2 . . . . B 108 LYS HG3 . 34443 1 1369 . 1 . 1 108 108 LYS HD2 H 1 1.603 0.000 . 1 . . . . B 108 LYS HD2 . 34443 1 1370 . 1 . 1 108 108 LYS HD3 H 1 1.603 0.000 . 1 . . . . B 108 LYS HD3 . 34443 1 1371 . 1 . 1 108 108 LYS HE2 H 1 2.975 0.014 . 2 . . . . B 108 LYS HE2 . 34443 1 1372 . 1 . 1 108 108 LYS HE3 H 1 2.999 0.010 . 2 . . . . B 108 LYS HE3 . 34443 1 1373 . 1 . 1 108 108 LYS C C 13 176.180 0.000 . 1 . . . . B 108 LYS C . 34443 1 1374 . 1 . 1 108 108 LYS CA C 13 56.166 0.011 . 1 . . . . B 108 LYS CA . 34443 1 1375 . 1 . 1 108 108 LYS CB C 13 31.248 0.017 . 1 . . . . B 108 LYS CB . 34443 1 1376 . 1 . 1 108 108 LYS CG C 13 24.417 0.016 . 1 . . . . B 108 LYS CG . 34443 1 1377 . 1 . 1 108 108 LYS CD C 13 28.440 0.024 . 1 . . . . B 108 LYS CD . 34443 1 1378 . 1 . 1 108 108 LYS CE C 13 42.728 0.071 . 1 . . . . B 108 LYS CE . 34443 1 1379 . 1 . 1 108 108 LYS N N 15 120.765 0.017 . 1 . . . . B 108 LYS N . 34443 1 1380 . 1 . 1 109 109 ARG H H 1 7.640 0.003 . 1 . . . . B 109 ARG H . 34443 1 1381 . 1 . 1 109 109 ARG HA H 1 4.602 0.004 . 1 . . . . B 109 ARG HA . 34443 1 1382 . 1 . 1 109 109 ARG HB2 H 1 1.483 0.005 . 2 . . . . B 109 ARG HB2 . 34443 1 1383 . 1 . 1 109 109 ARG HB3 H 1 1.785 0.010 . 2 . . . . B 109 ARG HB3 . 34443 1 1384 . 1 . 1 109 109 ARG HG2 H 1 1.466 0.010 . 2 . . . . B 109 ARG HG2 . 34443 1 1385 . 1 . 1 109 109 ARG HG3 H 1 1.364 0.011 . 2 . . . . B 109 ARG HG3 . 34443 1 1386 . 1 . 1 109 109 ARG HD2 H 1 2.424 0.007 . 2 . . . . B 109 ARG HD2 . 34443 1 1387 . 1 . 1 109 109 ARG HD3 H 1 2.787 0.008 . 2 . . . . B 109 ARG HD3 . 34443 1 1388 . 1 . 1 109 109 ARG HE H 1 6.515 0.003 . 1 . . . . B 109 ARG HE . 34443 1 1389 . 1 . 1 109 109 ARG C C 13 175.295 0.000 . 1 . . . . B 109 ARG C . 34443 1 1390 . 1 . 1 109 109 ARG CA C 13 53.579 0.101 . 1 . . . . B 109 ARG CA . 34443 1 1391 . 1 . 1 109 109 ARG CB C 13 34.735 0.056 . 1 . . . . B 109 ARG CB . 34443 1 1392 . 1 . 1 109 109 ARG CG C 13 27.254 0.082 . 1 . . . . B 109 ARG CG . 34443 1 1393 . 1 . 1 109 109 ARG CD C 13 43.544 0.054 . 1 . . . . B 109 ARG CD . 34443 1 1394 . 1 . 1 109 109 ARG N N 15 121.090 0.028 . 1 . . . . B 109 ARG N . 34443 1 1395 . 1 . 1 109 109 ARG NE N 15 83.649 0.021 . 1 . . . . B 109 ARG NE . 34443 1 1396 . 1 . 1 110 110 SER H H 1 8.376 0.004 . 1 . . . . B 110 SER H . 34443 1 1397 . 1 . 1 110 110 SER HA H 1 4.446 0.000 . 1 . . . . B 110 SER HA . 34443 1 1398 . 1 . 1 110 110 SER HB2 H 1 3.992 0.000 . 2 . . . . B 110 SER HB2 . 34443 1 1399 . 1 . 1 110 110 SER HB3 H 1 4.290 0.000 . 2 . . . . B 110 SER HB3 . 34443 1 1400 . 1 . 1 110 110 SER C C 13 175.183 0.000 . 1 . . . . B 110 SER C . 34443 1 1401 . 1 . 1 110 110 SER CA C 13 57.221 0.073 . 1 . . . . B 110 SER CA . 34443 1 1402 . 1 . 1 110 110 SER CB C 13 64.773 0.001 . 1 . . . . B 110 SER CB . 34443 1 1403 . 1 . 1 110 110 SER N N 15 115.921 0.021 . 1 . . . . B 110 SER N . 34443 1 1404 . 1 . 1 111 111 ARG H H 1 9.009 0.005 . 1 . . . . B 111 ARG H . 34443 1 1405 . 1 . 1 111 111 ARG HA H 1 3.985 0.000 . 1 . . . . B 111 ARG HA . 34443 1 1406 . 1 . 1 111 111 ARG HB2 H 1 1.941 0.000 . 2 . . . . B 111 ARG HB2 . 34443 1 1407 . 1 . 1 111 111 ARG HB3 H 1 1.866 0.000 . 2 . . . . B 111 ARG HB3 . 34443 1 1408 . 1 . 1 111 111 ARG HG2 H 1 1.633 0.000 . 2 . . . . B 111 ARG HG2 . 34443 1 1409 . 1 . 1 111 111 ARG HG3 H 1 1.750 0.000 . 2 . . . . B 111 ARG HG3 . 34443 1 1410 . 1 . 1 111 111 ARG HD2 H 1 3.242 0.000 . 2 . . . . B 111 ARG HD2 . 34443 1 1411 . 1 . 1 111 111 ARG HD3 H 1 3.294 0.000 . 2 . . . . B 111 ARG HD3 . 34443 1 1412 . 1 . 1 111 111 ARG HE H 1 7.420 0.004 . 1 . . . . B 111 ARG HE . 34443 1 1413 . 1 . 1 111 111 ARG C C 13 177.441 0.000 . 1 . . . . B 111 ARG C . 34443 1 1414 . 1 . 1 111 111 ARG CA C 13 60.551 0.048 . 1 . . . . B 111 ARG CA . 34443 1 1415 . 1 . 1 111 111 ARG CB C 13 30.765 0.038 . 1 . . . . B 111 ARG CB . 34443 1 1416 . 1 . 1 111 111 ARG CG C 13 28.741 0.007 . 1 . . . . B 111 ARG CG . 34443 1 1417 . 1 . 1 111 111 ARG CD C 13 43.240 0.000 . 1 . . . . B 111 ARG CD . 34443 1 1418 . 1 . 1 111 111 ARG N N 15 123.376 0.062 . 1 . . . . B 111 ARG N . 34443 1 1419 . 1 . 1 111 111 ARG NE N 15 83.878 0.013 . 1 . . . . B 111 ARG NE . 34443 1 1420 . 1 . 1 112 112 ALA H H 1 8.529 0.003 . 1 . . . . B 112 ALA H . 34443 1 1421 . 1 . 1 112 112 ALA HA H 1 4.066 0.000 . 1 . . . . B 112 ALA HA . 34443 1 1422 . 1 . 1 112 112 ALA HB1 H 1 1.444 0.000 . 1 . . . . B 112 ALA HB1 . 34443 1 1423 . 1 . 1 112 112 ALA HB2 H 1 1.444 0.000 . 1 . . . . B 112 ALA HB2 . 34443 1 1424 . 1 . 1 112 112 ALA HB3 H 1 1.444 0.000 . 1 . . . . B 112 ALA HB3 . 34443 1 1425 . 1 . 1 112 112 ALA C C 13 178.686 0.000 . 1 . . . . B 112 ALA C . 34443 1 1426 . 1 . 1 112 112 ALA CA C 13 55.292 0.017 . 1 . . . . B 112 ALA CA . 34443 1 1427 . 1 . 1 112 112 ALA CB C 13 18.519 0.027 . 1 . . . . B 112 ALA CB . 34443 1 1428 . 1 . 1 112 112 ALA N N 15 118.491 0.025 . 1 . . . . B 112 ALA N . 34443 1 1429 . 1 . 1 113 113 ARG H H 1 7.553 0.003 . 1 . . . . B 113 ARG H . 34443 1 1430 . 1 . 1 113 113 ARG HA H 1 4.331 0.002 . 1 . . . . B 113 ARG HA . 34443 1 1431 . 1 . 1 113 113 ARG HB2 H 1 2.212 0.000 . 1 . . . . B 113 ARG HB2 . 34443 1 1432 . 1 . 1 113 113 ARG HB3 H 1 2.212 0.000 . 1 . . . . B 113 ARG HB3 . 34443 1 1433 . 1 . 1 113 113 ARG HG2 H 1 1.916 0.000 . 1 . . . . B 113 ARG HG2 . 34443 1 1434 . 1 . 1 113 113 ARG HG3 H 1 1.916 0.000 . 1 . . . . B 113 ARG HG3 . 34443 1 1435 . 1 . 1 113 113 ARG HD2 H 1 3.382 0.002 . 2 . . . . B 113 ARG HD2 . 34443 1 1436 . 1 . 1 113 113 ARG HD3 H 1 3.227 0.000 . 2 . . . . B 113 ARG HD3 . 34443 1 1437 . 1 . 1 113 113 ARG C C 13 179.101 0.000 . 1 . . . . B 113 ARG C . 34443 1 1438 . 1 . 1 113 113 ARG CA C 13 58.284 0.025 . 1 . . . . B 113 ARG CA . 34443 1 1439 . 1 . 1 113 113 ARG CB C 13 30.521 0.003 . 1 . . . . B 113 ARG CB . 34443 1 1440 . 1 . 1 113 113 ARG CG C 13 27.364 0.002 . 1 . . . . B 113 ARG CG . 34443 1 1441 . 1 . 1 113 113 ARG CD C 13 43.240 0.038 . 1 . . . . B 113 ARG CD . 34443 1 1442 . 1 . 1 113 113 ARG N N 15 115.181 0.029 . 1 . . . . B 113 ARG N . 34443 1 1443 . 1 . 1 114 114 ILE H H 1 8.101 0.003 . 1 . . . . B 114 ILE H . 34443 1 1444 . 1 . 1 114 114 ILE HA H 1 3.869 0.005 . 1 . . . . B 114 ILE HA . 34443 1 1445 . 1 . 1 114 114 ILE HB H 1 2.257 0.006 . 1 . . . . B 114 ILE HB . 34443 1 1446 . 1 . 1 114 114 ILE HG12 H 1 1.238 0.006 . 2 . . . . B 114 ILE HG12 . 34443 1 1447 . 1 . 1 114 114 ILE HG13 H 1 1.847 0.004 . 2 . . . . B 114 ILE HG13 . 34443 1 1448 . 1 . 1 114 114 ILE HG21 H 1 0.947 0.003 . 1 . . . . B 114 ILE HG21 . 34443 1 1449 . 1 . 1 114 114 ILE HG22 H 1 0.947 0.003 . 1 . . . . B 114 ILE HG22 . 34443 1 1450 . 1 . 1 114 114 ILE HG23 H 1 0.947 0.003 . 1 . . . . B 114 ILE HG23 . 34443 1 1451 . 1 . 1 114 114 ILE HD11 H 1 0.949 0.004 . 1 . . . . B 114 ILE HD11 . 34443 1 1452 . 1 . 1 114 114 ILE HD12 H 1 0.949 0.004 . 1 . . . . B 114 ILE HD12 . 34443 1 1453 . 1 . 1 114 114 ILE HD13 H 1 0.949 0.004 . 1 . . . . B 114 ILE HD13 . 34443 1 1454 . 1 . 1 114 114 ILE C C 13 176.844 0.000 . 1 . . . . B 114 ILE C . 34443 1 1455 . 1 . 1 114 114 ILE CA C 13 65.455 0.036 . 1 . . . . B 114 ILE CA . 34443 1 1456 . 1 . 1 114 114 ILE CB C 13 37.176 0.127 . 1 . . . . B 114 ILE CB . 34443 1 1457 . 1 . 1 114 114 ILE CG1 C 13 29.532 0.021 . 1 . . . . B 114 ILE CG1 . 34443 1 1458 . 1 . 1 114 114 ILE CG2 C 13 18.222 0.025 . 1 . . . . B 114 ILE CG2 . 34443 1 1459 . 1 . 1 114 114 ILE CD1 C 13 13.642 0.007 . 1 . . . . B 114 ILE CD1 . 34443 1 1460 . 1 . 1 114 114 ILE N N 15 122.340 0.045 . 1 . . . . B 114 ILE N . 34443 1 1461 . 1 . 1 115 115 VAL H H 1 8.560 0.005 . 1 . . . . B 115 VAL H . 34443 1 1462 . 1 . 1 115 115 VAL HA H 1 3.347 0.006 . 1 . . . . B 115 VAL HA . 34443 1 1463 . 1 . 1 115 115 VAL HB H 1 2.217 0.005 . 1 . . . . B 115 VAL HB . 34443 1 1464 . 1 . 1 115 115 VAL HG11 H 1 1.121 0.006 . 2 . . . . B 115 VAL HG11 . 34443 1 1465 . 1 . 1 115 115 VAL HG12 H 1 1.121 0.006 . 2 . . . . B 115 VAL HG12 . 34443 1 1466 . 1 . 1 115 115 VAL HG13 H 1 1.121 0.006 . 2 . . . . B 115 VAL HG13 . 34443 1 1467 . 1 . 1 115 115 VAL HG21 H 1 0.954 0.004 . 2 . . . . B 115 VAL HG21 . 34443 1 1468 . 1 . 1 115 115 VAL HG22 H 1 0.954 0.004 . 2 . . . . B 115 VAL HG22 . 34443 1 1469 . 1 . 1 115 115 VAL HG23 H 1 0.954 0.004 . 2 . . . . B 115 VAL HG23 . 34443 1 1470 . 1 . 1 115 115 VAL C C 13 176.939 0.000 . 1 . . . . B 115 VAL C . 34443 1 1471 . 1 . 1 115 115 VAL CA C 13 67.983 0.067 . 1 . . . . B 115 VAL CA . 34443 1 1472 . 1 . 1 115 115 VAL CB C 13 31.550 0.040 . 1 . . . . B 115 VAL CB . 34443 1 1473 . 1 . 1 115 115 VAL CG1 C 13 24.452 0.009 . 2 . . . . B 115 VAL CG1 . 34443 1 1474 . 1 . 1 115 115 VAL CG2 C 13 21.621 0.015 . 2 . . . . B 115 VAL CG2 . 34443 1 1475 . 1 . 1 115 115 VAL N N 15 120.882 0.018 . 1 . . . . B 115 VAL N . 34443 1 1476 . 1 . 1 116 116 ASP H H 1 8.114 0.003 . 1 . . . . B 116 ASP H . 34443 1 1477 . 1 . 1 116 116 ASP HA H 1 4.290 0.004 . 1 . . . . B 116 ASP HA . 34443 1 1478 . 1 . 1 116 116 ASP HB2 H 1 2.654 0.004 . 2 . . . . B 116 ASP HB2 . 34443 1 1479 . 1 . 1 116 116 ASP HB3 H 1 2.803 0.003 . 2 . . . . B 116 ASP HB3 . 34443 1 1480 . 1 . 1 116 116 ASP C C 13 178.026 0.000 . 1 . . . . B 116 ASP C . 34443 1 1481 . 1 . 1 116 116 ASP CA C 13 57.455 0.030 . 1 . . . . B 116 ASP CA . 34443 1 1482 . 1 . 1 116 116 ASP CB C 13 40.779 0.083 . 1 . . . . B 116 ASP CB . 34443 1 1483 . 1 . 1 116 116 ASP N N 15 116.649 0.027 . 1 . . . . B 116 ASP N . 34443 1 1484 . 1 . 1 117 117 LYS H H 1 7.543 0.004 . 1 . . . . B 117 LYS H . 34443 1 1485 . 1 . 1 117 117 LYS HA H 1 4.013 0.004 . 1 . . . . B 117 LYS HA . 34443 1 1486 . 1 . 1 117 117 LYS HB2 H 1 1.334 0.000 . 2 . . . . B 117 LYS HB2 . 34443 1 1487 . 1 . 1 117 117 LYS HB3 H 1 1.562 0.005 . 2 . . . . B 117 LYS HB3 . 34443 1 1488 . 1 . 1 117 117 LYS HG2 H 1 -0.947 0.000 . 1 . . . . B 117 LYS HG2 . 34443 1 1489 . 1 . 1 117 117 LYS HG3 H 1 -0.947 0.000 . 1 . . . . B 117 LYS HG3 . 34443 1 1490 . 1 . 1 117 117 LYS HD2 H 1 0.557 0.000 . 2 . . . . B 117 LYS HD2 . 34443 1 1491 . 1 . 1 117 117 LYS HD3 H 1 1.164 0.000 . 2 . . . . B 117 LYS HD3 . 34443 1 1492 . 1 . 1 117 117 LYS C C 13 177.027 0.000 . 1 . . . . B 117 LYS C . 34443 1 1493 . 1 . 1 117 117 LYS CA C 13 56.633 0.084 . 1 . . . . B 117 LYS CA . 34443 1 1494 . 1 . 1 117 117 LYS CB C 13 31.279 0.141 . 1 . . . . B 117 LYS CB . 34443 1 1495 . 1 . 1 117 117 LYS CG C 13 23.340 0.000 . 1 . . . . B 117 LYS CG . 34443 1 1496 . 1 . 1 117 117 LYS CD C 13 27.538 0.013 . 1 . . . . B 117 LYS CD . 34443 1 1497 . 1 . 1 117 117 LYS N N 15 121.131 0.043 . 1 . . . . B 117 LYS N . 34443 1 1498 . 1 . 1 118 118 LEU H H 1 8.403 0.006 . 1 . . . . B 118 LEU H . 34443 1 1499 . 1 . 1 118 118 LEU HA H 1 3.655 0.002 . 1 . . . . B 118 LEU HA . 34443 1 1500 . 1 . 1 118 118 LEU HB2 H 1 1.538 0.000 . 2 . . . . B 118 LEU HB2 . 34443 1 1501 . 1 . 1 118 118 LEU HB3 H 1 2.024 0.000 . 2 . . . . B 118 LEU HB3 . 34443 1 1502 . 1 . 1 118 118 LEU HG H 1 1.885 0.005 . 1 . . . . B 118 LEU HG . 34443 1 1503 . 1 . 1 118 118 LEU HD11 H 1 0.500 0.004 . 2 . . . . B 118 LEU HD11 . 34443 1 1504 . 1 . 1 118 118 LEU HD12 H 1 0.500 0.004 . 2 . . . . B 118 LEU HD12 . 34443 1 1505 . 1 . 1 118 118 LEU HD13 H 1 0.500 0.004 . 2 . . . . B 118 LEU HD13 . 34443 1 1506 . 1 . 1 118 118 LEU HD21 H 1 0.755 0.005 . 2 . . . . B 118 LEU HD21 . 34443 1 1507 . 1 . 1 118 118 LEU HD22 H 1 0.755 0.005 . 2 . . . . B 118 LEU HD22 . 34443 1 1508 . 1 . 1 118 118 LEU HD23 H 1 0.755 0.005 . 2 . . . . B 118 LEU HD23 . 34443 1 1509 . 1 . 1 118 118 LEU C C 13 178.264 0.000 . 1 . . . . B 118 LEU C . 34443 1 1510 . 1 . 1 118 118 LEU CA C 13 58.466 0.094 . 1 . . . . B 118 LEU CA . 34443 1 1511 . 1 . 1 118 118 LEU CB C 13 41.837 0.043 . 1 . . . . B 118 LEU CB . 34443 1 1512 . 1 . 1 118 118 LEU CG C 13 26.717 0.017 . 1 . . . . B 118 LEU CG . 34443 1 1513 . 1 . 1 118 118 LEU CD1 C 13 23.687 0.025 . 2 . . . . B 118 LEU CD1 . 34443 1 1514 . 1 . 1 118 118 LEU CD2 C 13 26.988 0.020 . 2 . . . . B 118 LEU CD2 . 34443 1 1515 . 1 . 1 118 118 LEU N N 15 120.091 0.102 . 1 . . . . B 118 LEU N . 34443 1 1516 . 1 . 1 119 119 LEU H H 1 7.886 0.003 . 1 . . . . B 119 LEU H . 34443 1 1517 . 1 . 1 119 119 LEU HA H 1 4.143 0.009 . 1 . . . . B 119 LEU HA . 34443 1 1518 . 1 . 1 119 119 LEU HB2 H 1 1.753 0.003 . 2 . . . . B 119 LEU HB2 . 34443 1 1519 . 1 . 1 119 119 LEU HB3 H 1 1.537 0.005 . 2 . . . . B 119 LEU HB3 . 34443 1 1520 . 1 . 1 119 119 LEU HG H 1 1.543 0.003 . 1 . . . . B 119 LEU HG . 34443 1 1521 . 1 . 1 119 119 LEU HD11 H 1 0.796 0.007 . 2 . . . . B 119 LEU HD11 . 34443 1 1522 . 1 . 1 119 119 LEU HD12 H 1 0.796 0.007 . 2 . . . . B 119 LEU HD12 . 34443 1 1523 . 1 . 1 119 119 LEU HD13 H 1 0.796 0.007 . 2 . . . . B 119 LEU HD13 . 34443 1 1524 . 1 . 1 119 119 LEU HD21 H 1 0.652 0.004 . 2 . . . . B 119 LEU HD21 . 34443 1 1525 . 1 . 1 119 119 LEU HD22 H 1 0.652 0.004 . 2 . . . . B 119 LEU HD22 . 34443 1 1526 . 1 . 1 119 119 LEU HD23 H 1 0.652 0.004 . 2 . . . . B 119 LEU HD23 . 34443 1 1527 . 1 . 1 119 119 LEU C C 13 179.375 0.000 . 1 . . . . B 119 LEU C . 34443 1 1528 . 1 . 1 119 119 LEU CA C 13 57.499 0.035 . 1 . . . . B 119 LEU CA . 34443 1 1529 . 1 . 1 119 119 LEU CB C 13 41.897 0.069 . 1 . . . . B 119 LEU CB . 34443 1 1530 . 1 . 1 119 119 LEU CG C 13 27.246 0.021 . 1 . . . . B 119 LEU CG . 34443 1 1531 . 1 . 1 119 119 LEU CD1 C 13 25.866 0.015 . 2 . . . . B 119 LEU CD1 . 34443 1 1532 . 1 . 1 119 119 LEU CD2 C 13 23.944 0.011 . 2 . . . . B 119 LEU CD2 . 34443 1 1533 . 1 . 1 119 119 LEU N N 15 118.165 0.025 . 1 . . . . B 119 LEU N . 34443 1 1534 . 1 . 1 120 120 ALA H H 1 8.157 0.005 . 1 . . . . B 120 ALA H . 34443 1 1535 . 1 . 1 120 120 ALA HA H 1 4.056 0.003 . 1 . . . . B 120 ALA HA . 34443 1 1536 . 1 . 1 120 120 ALA HB1 H 1 1.446 0.004 . 1 . . . . B 120 ALA HB1 . 34443 1 1537 . 1 . 1 120 120 ALA HB2 H 1 1.446 0.004 . 1 . . . . B 120 ALA HB2 . 34443 1 1538 . 1 . 1 120 120 ALA HB3 H 1 1.446 0.004 . 1 . . . . B 120 ALA HB3 . 34443 1 1539 . 1 . 1 120 120 ALA C C 13 178.831 0.000 . 1 . . . . B 120 ALA C . 34443 1 1540 . 1 . 1 120 120 ALA CA C 13 55.189 0.021 . 1 . . . . B 120 ALA CA . 34443 1 1541 . 1 . 1 120 120 ALA CB C 13 18.400 0.024 . 1 . . . . B 120 ALA CB . 34443 1 1542 . 1 . 1 120 120 ALA N N 15 125.051 0.069 . 1 . . . . B 120 ALA N . 34443 1 1543 . 1 . 1 121 121 LEU H H 1 8.146 0.002 . 1 . . . . B 121 LEU H . 34443 1 1544 . 1 . 1 121 121 LEU HA H 1 4.150 0.006 . 1 . . . . B 121 LEU HA . 34443 1 1545 . 1 . 1 121 121 LEU HB2 H 1 1.614 0.006 . 2 . . . . B 121 LEU HB2 . 34443 1 1546 . 1 . 1 121 121 LEU HB3 H 1 1.449 0.014 . 2 . . . . B 121 LEU HB3 . 34443 1 1547 . 1 . 1 121 121 LEU HG H 1 1.568 0.006 . 1 . . . . B 121 LEU HG . 34443 1 1548 . 1 . 1 121 121 LEU HD11 H 1 0.723 0.007 . 2 . . . . B 121 LEU HD11 . 34443 1 1549 . 1 . 1 121 121 LEU HD12 H 1 0.723 0.007 . 2 . . . . B 121 LEU HD12 . 34443 1 1550 . 1 . 1 121 121 LEU HD13 H 1 0.723 0.007 . 2 . . . . B 121 LEU HD13 . 34443 1 1551 . 1 . 1 121 121 LEU HD21 H 1 0.591 0.005 . 2 . . . . B 121 LEU HD21 . 34443 1 1552 . 1 . 1 121 121 LEU HD22 H 1 0.591 0.005 . 2 . . . . B 121 LEU HD22 . 34443 1 1553 . 1 . 1 121 121 LEU HD23 H 1 0.591 0.005 . 2 . . . . B 121 LEU HD23 . 34443 1 1554 . 1 . 1 121 121 LEU C C 13 176.932 0.000 . 1 . . . . B 121 LEU C . 34443 1 1555 . 1 . 1 121 121 LEU CA C 13 55.067 0.055 . 1 . . . . B 121 LEU CA . 34443 1 1556 . 1 . 1 121 121 LEU CB C 13 43.178 0.073 . 1 . . . . B 121 LEU CB . 34443 1 1557 . 1 . 1 121 121 LEU CG C 13 26.438 0.003 . 1 . . . . B 121 LEU CG . 34443 1 1558 . 1 . 1 121 121 LEU CD1 C 13 21.936 0.009 . 2 . . . . B 121 LEU CD1 . 34443 1 1559 . 1 . 1 121 121 LEU CD2 C 13 26.431 0.018 . 2 . . . . B 121 LEU CD2 . 34443 1 1560 . 1 . 1 121 121 LEU N N 15 115.365 0.017 . 1 . . . . B 121 LEU N . 34443 1 1561 . 1 . 1 122 122 GLY H H 1 7.836 0.003 . 1 . . . . B 122 GLY H . 34443 1 1562 . 1 . 1 122 122 GLY HA2 H 1 3.994 0.001 . 2 . . . . B 122 GLY HA2 . 34443 1 1563 . 1 . 1 122 122 GLY HA3 H 1 3.781 0.000 . 2 . . . . B 122 GLY HA3 . 34443 1 1564 . 1 . 1 122 122 GLY C C 13 175.228 0.000 . 1 . . . . B 122 GLY C . 34443 1 1565 . 1 . 1 122 122 GLY CA C 13 45.472 0.035 . 1 . . . . B 122 GLY CA . 34443 1 1566 . 1 . 1 122 122 GLY N N 15 107.267 0.019 . 1 . . . . B 122 GLY N . 34443 1 1567 . 1 . 1 123 123 LEU H H 1 7.574 0.003 . 1 . . . . B 123 LEU H . 34443 1 1568 . 1 . 1 123 123 LEU HA H 1 3.961 0.007 . 1 . . . . B 123 LEU HA . 34443 1 1569 . 1 . 1 123 123 LEU HB2 H 1 1.059 0.008 . 2 . . . . B 123 LEU HB2 . 34443 1 1570 . 1 . 1 123 123 LEU HB3 H 1 0.614 0.002 . 2 . . . . B 123 LEU HB3 . 34443 1 1571 . 1 . 1 123 123 LEU HG H 1 1.350 0.002 . 1 . . . . B 123 LEU HG . 34443 1 1572 . 1 . 1 123 123 LEU HD11 H 1 0.626 0.006 . 2 . . . . B 123 LEU HD11 . 34443 1 1573 . 1 . 1 123 123 LEU HD12 H 1 0.626 0.006 . 2 . . . . B 123 LEU HD12 . 34443 1 1574 . 1 . 1 123 123 LEU HD13 H 1 0.626 0.006 . 2 . . . . B 123 LEU HD13 . 34443 1 1575 . 1 . 1 123 123 LEU HD21 H 1 0.792 0.007 . 2 . . . . B 123 LEU HD21 . 34443 1 1576 . 1 . 1 123 123 LEU HD22 H 1 0.792 0.007 . 2 . . . . B 123 LEU HD22 . 34443 1 1577 . 1 . 1 123 123 LEU HD23 H 1 0.792 0.007 . 2 . . . . B 123 LEU HD23 . 34443 1 1578 . 1 . 1 123 123 LEU C C 13 176.184 0.000 . 1 . . . . B 123 LEU C . 34443 1 1579 . 1 . 1 123 123 LEU CA C 13 56.144 0.022 . 1 . . . . B 123 LEU CA . 34443 1 1580 . 1 . 1 123 123 LEU CB C 13 40.753 0.090 . 1 . . . . B 123 LEU CB . 34443 1 1581 . 1 . 1 123 123 LEU CG C 13 26.936 0.065 . 1 . . . . B 123 LEU CG . 34443 1 1582 . 1 . 1 123 123 LEU CD1 C 13 25.832 0.000 . 2 . . . . B 123 LEU CD1 . 34443 1 1583 . 1 . 1 123 123 LEU CD2 C 13 22.145 0.000 . 2 . . . . B 123 LEU CD2 . 34443 1 1584 . 1 . 1 123 123 LEU N N 15 119.030 0.049 . 1 . . . . B 123 LEU N . 34443 1 1585 . 1 . 1 124 124 VAL H H 1 6.798 0.003 . 1 . . . . B 124 VAL H . 34443 1 1586 . 1 . 1 124 124 VAL HA H 1 4.268 0.008 . 1 . . . . B 124 VAL HA . 34443 1 1587 . 1 . 1 124 124 VAL HB H 1 1.888 0.003 . 1 . . . . B 124 VAL HB . 34443 1 1588 . 1 . 1 124 124 VAL HG11 H 1 0.803 0.003 . 2 . . . . B 124 VAL HG11 . 34443 1 1589 . 1 . 1 124 124 VAL HG12 H 1 0.803 0.003 . 2 . . . . B 124 VAL HG12 . 34443 1 1590 . 1 . 1 124 124 VAL HG13 H 1 0.803 0.003 . 2 . . . . B 124 VAL HG13 . 34443 1 1591 . 1 . 1 124 124 VAL HG21 H 1 0.511 0.005 . 2 . . . . B 124 VAL HG21 . 34443 1 1592 . 1 . 1 124 124 VAL HG22 H 1 0.511 0.005 . 2 . . . . B 124 VAL HG22 . 34443 1 1593 . 1 . 1 124 124 VAL HG23 H 1 0.511 0.005 . 2 . . . . B 124 VAL HG23 . 34443 1 1594 . 1 . 1 124 124 VAL C C 13 174.812 0.000 . 1 . . . . B 124 VAL C . 34443 1 1595 . 1 . 1 124 124 VAL CA C 13 59.260 0.023 . 1 . . . . B 124 VAL CA . 34443 1 1596 . 1 . 1 124 124 VAL CB C 13 34.810 0.033 . 1 . . . . B 124 VAL CB . 34443 1 1597 . 1 . 1 124 124 VAL CG1 C 13 22.528 0.006 . 2 . . . . B 124 VAL CG1 . 34443 1 1598 . 1 . 1 124 124 VAL CG2 C 13 19.551 0.008 . 2 . . . . B 124 VAL CG2 . 34443 1 1599 . 1 . 1 124 124 VAL N N 15 109.209 0.030 . 1 . . . . B 124 VAL N . 34443 1 1600 . 1 . 1 125 125 ALA H H 1 8.866 0.004 . 1 . . . . B 125 ALA H . 34443 1 1601 . 1 . 1 125 125 ALA HA H 1 4.304 0.023 . 1 . . . . B 125 ALA HA . 34443 1 1602 . 1 . 1 125 125 ALA HB1 H 1 1.463 0.004 . 1 . . . . B 125 ALA HB1 . 34443 1 1603 . 1 . 1 125 125 ALA HB2 H 1 1.463 0.004 . 1 . . . . B 125 ALA HB2 . 34443 1 1604 . 1 . 1 125 125 ALA HB3 H 1 1.463 0.004 . 1 . . . . B 125 ALA HB3 . 34443 1 1605 . 1 . 1 125 125 ALA C C 13 177.029 0.000 . 1 . . . . B 125 ALA C . 34443 1 1606 . 1 . 1 125 125 ALA CA C 13 53.299 0.042 . 1 . . . . B 125 ALA CA . 34443 1 1607 . 1 . 1 125 125 ALA CB C 13 20.183 0.045 . 1 . . . . B 125 ALA CB . 34443 1 1608 . 1 . 1 125 125 ALA N N 15 124.990 0.038 . 1 . . . . B 125 ALA N . 34443 1 1609 . 1 . 1 126 126 GLU H H 1 7.632 0.004 . 1 . . . . B 126 GLU H . 34443 1 1610 . 1 . 1 126 126 GLU HA H 1 4.561 0.001 . 1 . . . . B 126 GLU HA . 34443 1 1611 . 1 . 1 126 126 GLU HB2 H 1 1.954 0.000 . 2 . . . . B 126 GLU HB2 . 34443 1 1612 . 1 . 1 126 126 GLU HB3 H 1 2.221 0.000 . 2 . . . . B 126 GLU HB3 . 34443 1 1613 . 1 . 1 126 126 GLU HG2 H 1 2.296 0.000 . 2 . . . . B 126 GLU HG2 . 34443 1 1614 . 1 . 1 126 126 GLU HG3 H 1 2.204 0.000 . 2 . . . . B 126 GLU HG3 . 34443 1 1615 . 1 . 1 126 126 GLU C C 13 176.085 0.000 . 1 . . . . B 126 GLU C . 34443 1 1616 . 1 . 1 126 126 GLU CA C 13 54.651 0.035 . 1 . . . . B 126 GLU CA . 34443 1 1617 . 1 . 1 126 126 GLU CB C 13 33.035 0.043 . 1 . . . . B 126 GLU CB . 34443 1 1618 . 1 . 1 126 126 GLU CG C 13 36.060 0.013 . 1 . . . . B 126 GLU CG . 34443 1 1619 . 1 . 1 126 126 GLU N N 15 114.485 0.026 . 1 . . . . B 126 GLU N . 34443 1 1620 . 1 . 1 127 127 ARG H H 1 9.034 0.004 . 1 . . . . B 127 ARG H . 34443 1 1621 . 1 . 1 127 127 ARG HA H 1 3.745 0.000 . 1 . . . . B 127 ARG HA . 34443 1 1622 . 1 . 1 127 127 ARG HB2 H 1 1.853 0.000 . 1 . . . . B 127 ARG HB2 . 34443 1 1623 . 1 . 1 127 127 ARG HB3 H 1 1.853 0.000 . 1 . . . . B 127 ARG HB3 . 34443 1 1624 . 1 . 1 127 127 ARG HG2 H 1 1.552 0.000 . 2 . . . . B 127 ARG HG2 . 34443 1 1625 . 1 . 1 127 127 ARG HG3 H 1 1.742 0.000 . 2 . . . . B 127 ARG HG3 . 34443 1 1626 . 1 . 1 127 127 ARG HD2 H 1 3.206 0.000 . 2 . . . . B 127 ARG HD2 . 34443 1 1627 . 1 . 1 127 127 ARG HD3 H 1 3.254 0.000 . 2 . . . . B 127 ARG HD3 . 34443 1 1628 . 1 . 1 127 127 ARG C C 13 177.136 0.000 . 1 . . . . B 127 ARG C . 34443 1 1629 . 1 . 1 127 127 ARG CA C 13 59.957 0.029 . 1 . . . . B 127 ARG CA . 34443 1 1630 . 1 . 1 127 127 ARG CB C 13 30.476 0.000 . 1 . . . . B 127 ARG CB . 34443 1 1631 . 1 . 1 127 127 ARG CG C 13 28.817 0.006 . 1 . . . . B 127 ARG CG . 34443 1 1632 . 1 . 1 127 127 ARG CD C 13 43.441 0.000 . 1 . . . . B 127 ARG CD . 34443 1 1633 . 1 . 1 127 127 ARG N N 15 123.771 0.044 . 1 . . . . B 127 ARG N . 34443 1 1634 . 1 . 1 128 128 ARG H H 1 8.614 0.003 . 1 . . . . B 128 ARG H . 34443 1 1635 . 1 . 1 128 128 ARG HA H 1 4.048 0.000 . 1 . . . . B 128 ARG HA . 34443 1 1636 . 1 . 1 128 128 ARG HB2 H 1 1.853 0.000 . 1 . . . . B 128 ARG HB2 . 34443 1 1637 . 1 . 1 128 128 ARG HB3 H 1 1.853 0.000 . 1 . . . . B 128 ARG HB3 . 34443 1 1638 . 1 . 1 128 128 ARG HG2 H 1 1.641 0.000 . 1 . . . . B 128 ARG HG2 . 34443 1 1639 . 1 . 1 128 128 ARG HG3 H 1 1.641 0.000 . 1 . . . . B 128 ARG HG3 . 34443 1 1640 . 1 . 1 128 128 ARG HD2 H 1 3.201 0.000 . 1 . . . . B 128 ARG HD2 . 34443 1 1641 . 1 . 1 128 128 ARG HD3 H 1 3.201 0.000 . 1 . . . . B 128 ARG HD3 . 34443 1 1642 . 1 . 1 128 128 ARG C C 13 177.217 0.000 . 1 . . . . B 128 ARG C . 34443 1 1643 . 1 . 1 128 128 ARG CA C 13 58.164 0.016 . 1 . . . . B 128 ARG CA . 34443 1 1644 . 1 . 1 128 128 ARG CB C 13 29.665 0.001 . 1 . . . . B 128 ARG CB . 34443 1 1645 . 1 . 1 128 128 ARG CG C 13 26.806 0.000 . 1 . . . . B 128 ARG CG . 34443 1 1646 . 1 . 1 128 128 ARG CD C 13 43.367 0.013 . 1 . . . . B 128 ARG CD . 34443 1 1647 . 1 . 1 128 128 ARG N N 15 115.712 0.021 . 1 . . . . B 128 ARG N . 34443 1 1648 . 1 . 1 129 129 GLU H H 1 7.794 0.005 . 1 . . . . B 129 GLU H . 34443 1 1649 . 1 . 1 129 129 GLU HA H 1 4.123 0.018 . 1 . . . . B 129 GLU HA . 34443 1 1650 . 1 . 1 129 129 GLU HB2 H 1 2.174 0.000 . 2 . . . . B 129 GLU HB2 . 34443 1 1651 . 1 . 1 129 129 GLU HB3 H 1 2.240 0.000 . 2 . . . . B 129 GLU HB3 . 34443 1 1652 . 1 . 1 129 129 GLU HG2 H 1 2.398 0.000 . 1 . . . . B 129 GLU HG2 . 34443 1 1653 . 1 . 1 129 129 GLU HG3 H 1 2.398 0.000 . 1 . . . . B 129 GLU HG3 . 34443 1 1654 . 1 . 1 129 129 GLU C C 13 177.167 0.000 . 1 . . . . B 129 GLU C . 34443 1 1655 . 1 . 1 129 129 GLU CA C 13 58.170 0.023 . 1 . . . . B 129 GLU CA . 34443 1 1656 . 1 . 1 129 129 GLU CB C 13 30.237 0.096 . 1 . . . . B 129 GLU CB . 34443 1 1657 . 1 . 1 129 129 GLU CG C 13 37.272 0.076 . 1 . . . . B 129 GLU CG . 34443 1 1658 . 1 . 1 129 129 GLU N N 15 119.181 0.075 . 1 . . . . B 129 GLU N . 34443 1 1659 . 1 . 1 130 130 LEU H H 1 7.765 0.004 . 1 . . . . B 130 LEU H . 34443 1 1660 . 1 . 1 130 130 LEU HA H 1 4.299 0.000 . 1 . . . . B 130 LEU HA . 34443 1 1661 . 1 . 1 130 130 LEU HB2 H 1 1.411 0.000 . 2 . . . . B 130 LEU HB2 . 34443 1 1662 . 1 . 1 130 130 LEU HB3 H 1 1.680 0.000 . 2 . . . . B 130 LEU HB3 . 34443 1 1663 . 1 . 1 130 130 LEU HG H 1 1.642 0.000 . 1 . . . . B 130 LEU HG . 34443 1 1664 . 1 . 1 130 130 LEU HD11 H 1 0.972 0.000 . 2 . . . . B 130 LEU HD11 . 34443 1 1665 . 1 . 1 130 130 LEU HD12 H 1 0.972 0.000 . 2 . . . . B 130 LEU HD12 . 34443 1 1666 . 1 . 1 130 130 LEU HD13 H 1 0.972 0.000 . 2 . . . . B 130 LEU HD13 . 34443 1 1667 . 1 . 1 130 130 LEU HD21 H 1 0.928 0.000 . 2 . . . . B 130 LEU HD21 . 34443 1 1668 . 1 . 1 130 130 LEU HD22 H 1 0.928 0.000 . 2 . . . . B 130 LEU HD22 . 34443 1 1669 . 1 . 1 130 130 LEU HD23 H 1 0.928 0.000 . 2 . . . . B 130 LEU HD23 . 34443 1 1670 . 1 . 1 130 130 LEU C C 13 176.238 0.000 . 1 . . . . B 130 LEU C . 34443 1 1671 . 1 . 1 130 130 LEU CA C 13 55.220 0.016 . 1 . . . . B 130 LEU CA . 34443 1 1672 . 1 . 1 130 130 LEU CB C 13 41.722 0.054 . 1 . . . . B 130 LEU CB . 34443 1 1673 . 1 . 1 130 130 LEU CG C 13 27.027 0.000 . 1 . . . . B 130 LEU CG . 34443 1 1674 . 1 . 1 130 130 LEU CD1 C 13 26.831 0.060 . 2 . . . . B 130 LEU CD1 . 34443 1 1675 . 1 . 1 130 130 LEU CD2 C 13 23.802 0.008 . 2 . . . . B 130 LEU CD2 . 34443 1 1676 . 1 . 1 130 130 LEU N N 15 116.968 0.028 . 1 . . . . B 130 LEU N . 34443 1 1677 . 1 . 1 131 131 TYR H H 1 7.422 0.006 . 1 . . . . B 131 TYR H . 34443 1 1678 . 1 . 1 131 131 TYR HA H 1 4.734 0.004 . 1 . . . . B 131 TYR HA . 34443 1 1679 . 1 . 1 131 131 TYR HB2 H 1 2.835 0.011 . 2 . . . . B 131 TYR HB2 . 34443 1 1680 . 1 . 1 131 131 TYR HB3 H 1 3.283 0.007 . 2 . . . . B 131 TYR HB3 . 34443 1 1681 . 1 . 1 131 131 TYR HD1 H 1 7.121 0.004 . 1 . . . . B 131 TYR HD1 . 34443 1 1682 . 1 . 1 131 131 TYR HD2 H 1 7.121 0.004 . 1 . . . . B 131 TYR HD2 . 34443 1 1683 . 1 . 1 131 131 TYR HE1 H 1 6.740 0.004 . 1 . . . . B 131 TYR HE1 . 34443 1 1684 . 1 . 1 131 131 TYR HE2 H 1 6.740 0.004 . 1 . . . . B 131 TYR HE2 . 34443 1 1685 . 1 . 1 131 131 TYR C C 13 175.768 0.000 . 1 . . . . B 131 TYR C . 34443 1 1686 . 1 . 1 131 131 TYR CA C 13 56.901 0.096 . 1 . . . . B 131 TYR CA . 34443 1 1687 . 1 . 1 131 131 TYR CB C 13 38.704 0.026 . 1 . . . . B 131 TYR CB . 34443 1 1688 . 1 . 1 131 131 TYR CD1 C 13 132.934 0.043 . 1 . . . . B 131 TYR CD1 . 34443 1 1689 . 1 . 1 131 131 TYR CD2 C 13 132.934 0.043 . 1 . . . . B 131 TYR CD2 . 34443 1 1690 . 1 . 1 131 131 TYR CE1 C 13 117.949 0.056 . 1 . . . . B 131 TYR CE1 . 34443 1 1691 . 1 . 1 131 131 TYR CE2 C 13 117.949 0.056 . 1 . . . . B 131 TYR CE2 . 34443 1 1692 . 1 . 1 131 131 TYR N N 15 117.915 0.036 . 1 . . . . B 131 TYR N . 34443 1 1693 . 1 . 1 132 132 LYS H H 1 7.874 0.002 . 1 . . . . B 132 LYS H . 34443 1 1694 . 1 . 1 132 132 LYS HA H 1 4.377 0.010 . 1 . . . . B 132 LYS HA . 34443 1 1695 . 1 . 1 132 132 LYS HB2 H 1 1.862 0.000 . 2 . . . . B 132 LYS HB2 . 34443 1 1696 . 1 . 1 132 132 LYS HB3 H 1 1.849 0.004 . 1 . . . . B 132 LYS HB3 . 34443 1 1697 . 1 . 1 132 132 LYS HG2 H 1 1.483 0.035 . 1 . . . . B 132 LYS HG2 . 34443 1 1698 . 1 . 1 132 132 LYS HG3 H 1 1.483 0.035 . 1 . . . . B 132 LYS HG3 . 34443 1 1699 . 1 . 1 132 132 LYS HD2 H 1 1.732 0.000 . 1 . . . . B 132 LYS HD2 . 34443 1 1700 . 1 . 1 132 132 LYS HD3 H 1 1.732 0.000 . 1 . . . . B 132 LYS HD3 . 34443 1 1701 . 1 . 1 132 132 LYS HE2 H 1 3.004 0.035 . 1 . . . . B 132 LYS HE2 . 34443 1 1702 . 1 . 1 132 132 LYS HE3 H 1 3.004 0.035 . 1 . . . . B 132 LYS HE3 . 34443 1 1703 . 1 . 1 132 132 LYS C C 13 176.254 0.000 . 1 . . . . B 132 LYS C . 34443 1 1704 . 1 . 1 132 132 LYS CA C 13 56.664 0.040 . 1 . . . . B 132 LYS CA . 34443 1 1705 . 1 . 1 132 132 LYS CB C 13 33.445 0.042 . 1 . . . . B 132 LYS CB . 34443 1 1706 . 1 . 1 132 132 LYS CG C 13 24.782 0.034 . 1 . . . . B 132 LYS CG . 34443 1 1707 . 1 . 1 132 132 LYS CD C 13 29.327 0.012 . 1 . . . . B 132 LYS CD . 34443 1 1708 . 1 . 1 132 132 LYS CE C 13 42.148 0.057 . 1 . . . . B 132 LYS CE . 34443 1 1709 . 1 . 1 132 132 LYS N N 15 121.556 0.052 . 1 . . . . B 132 LYS N . 34443 1 1710 . 1 . 1 133 133 LYS H H 1 8.491 0.004 . 1 . . . . B 133 LYS H . 34443 1 1711 . 1 . 1 133 133 LYS HA H 1 4.381 0.006 . 1 . . . . B 133 LYS HA . 34443 1 1712 . 1 . 1 133 133 LYS HB2 H 1 1.872 0.000 . 2 . . . . B 133 LYS HB2 . 34443 1 1713 . 1 . 1 133 133 LYS HB3 H 1 1.838 0.007 . 1 . . . . B 133 LYS HB3 . 34443 1 1714 . 1 . 1 133 133 LYS HG2 H 1 1.523 0.000 . 2 . . . . B 133 LYS HG2 . 34443 1 1715 . 1 . 1 133 133 LYS HG3 H 1 1.508 0.017 . 1 . . . . B 133 LYS HG3 . 34443 1 1716 . 1 . 1 133 133 LYS HD2 H 1 1.735 0.001 . 1 . . . . B 133 LYS HD2 . 34443 1 1717 . 1 . 1 133 133 LYS HD3 H 1 1.735 0.001 . 1 . . . . B 133 LYS HD3 . 34443 1 1718 . 1 . 1 133 133 LYS HE2 H 1 3.016 0.022 . 1 . . . . B 133 LYS HE2 . 34443 1 1719 . 1 . 1 133 133 LYS HE3 H 1 3.016 0.022 . 1 . . . . B 133 LYS HE3 . 34443 1 1720 . 1 . 1 133 133 LYS C C 13 176.413 0.000 . 1 . . . . B 133 LYS C . 34443 1 1721 . 1 . 1 133 133 LYS CA C 13 56.322 0.020 . 1 . . . . B 133 LYS CA . 34443 1 1722 . 1 . 1 133 133 LYS CB C 13 33.142 0.027 . 1 . . . . B 133 LYS CB . 34443 1 1723 . 1 . 1 133 133 LYS CG C 13 24.879 0.009 . 1 . . . . B 133 LYS CG . 34443 1 1724 . 1 . 1 133 133 LYS CD C 13 29.231 0.008 . 1 . . . . B 133 LYS CD . 34443 1 1725 . 1 . 1 133 133 LYS CE C 13 42.129 0.080 . 1 . . . . B 133 LYS CE . 34443 1 1726 . 1 . 1 133 133 LYS N N 15 123.061 0.036 . 1 . . . . B 133 LYS N . 34443 1 1727 . 1 . 1 134 134 ARG H H 1 8.532 0.002 . 1 . . . . B 134 ARG H . 34443 1 1728 . 1 . 1 134 134 ARG HA H 1 4.361 0.008 . 1 . . . . B 134 ARG HA . 34443 1 1729 . 1 . 1 134 134 ARG HB2 H 1 1.830 0.013 . 1 . . . . B 134 ARG HB2 . 34443 1 1730 . 1 . 1 134 134 ARG HB3 H 1 1.830 0.013 . 1 . . . . B 134 ARG HB3 . 34443 1 1731 . 1 . 1 134 134 ARG HG2 H 1 1.701 0.006 . 1 . . . . B 134 ARG HG2 . 34443 1 1732 . 1 . 1 134 134 ARG HG3 H 1 1.701 0.006 . 1 . . . . B 134 ARG HG3 . 34443 1 1733 . 1 . 1 134 134 ARG HD2 H 1 3.239 0.013 . 1 . . . . B 134 ARG HD2 . 34443 1 1734 . 1 . 1 134 134 ARG HD3 H 1 3.239 0.013 . 1 . . . . B 134 ARG HD3 . 34443 1 1735 . 1 . 1 134 134 ARG C C 13 176.164 0.000 . 1 . . . . B 134 ARG C . 34443 1 1736 . 1 . 1 134 134 ARG CA C 13 56.161 0.017 . 1 . . . . B 134 ARG CA . 34443 1 1737 . 1 . 1 134 134 ARG CB C 13 30.948 0.063 . 1 . . . . B 134 ARG CB . 34443 1 1738 . 1 . 1 134 134 ARG CG C 13 27.155 0.036 . 1 . . . . B 134 ARG CG . 34443 1 1739 . 1 . 1 134 134 ARG CD C 13 43.429 0.015 . 1 . . . . B 134 ARG CD . 34443 1 1740 . 1 . 1 134 134 ARG N N 15 123.171 0.027 . 1 . . . . B 134 ARG N . 34443 1 1741 . 1 . 1 135 135 GLN H H 1 8.525 0.002 . 1 . . . . B 135 GLN H . 34443 1 1742 . 1 . 1 135 135 GLN HA H 1 4.344 0.009 . 1 . . . . B 135 GLN HA . 34443 1 1743 . 1 . 1 135 135 GLN HB2 H 1 2.007 0.023 . 2 . . . . B 135 GLN HB2 . 34443 1 1744 . 1 . 1 135 135 GLN HB3 H 1 2.073 0.030 . 2 . . . . B 135 GLN HB3 . 34443 1 1745 . 1 . 1 135 135 GLN HG2 H 1 2.389 0.010 . 1 . . . . B 135 GLN HG2 . 34443 1 1746 . 1 . 1 135 135 GLN HG3 H 1 2.389 0.010 . 1 . . . . B 135 GLN HG3 . 34443 1 1747 . 1 . 1 135 135 GLN HE21 H 1 7.612 0.006 . 1 . . . . B 135 GLN HE21 . 34443 1 1748 . 1 . 1 135 135 GLN HE22 H 1 6.937 0.003 . 1 . . . . B 135 GLN HE22 . 34443 1 1749 . 1 . 1 135 135 GLN C C 13 175.910 0.000 . 1 . . . . B 135 GLN C . 34443 1 1750 . 1 . 1 135 135 GLN CA C 13 55.770 0.053 . 1 . . . . B 135 GLN CA . 34443 1 1751 . 1 . 1 135 135 GLN CB C 13 29.739 0.053 . 1 . . . . B 135 GLN CB . 34443 1 1752 . 1 . 1 135 135 GLN CG C 13 33.823 0.011 . 1 . . . . B 135 GLN CG . 34443 1 1753 . 1 . 1 135 135 GLN N N 15 122.299 0.012 . 1 . . . . B 135 GLN N . 34443 1 1754 . 1 . 1 135 135 GLN NE2 N 15 112.689 0.109 . 1 . . . . B 135 GLN NE2 . 34443 1 1755 . 1 . 1 136 136 LYS H H 1 8.458 0.003 . 1 . . . . B 136 LYS H . 34443 1 1756 . 1 . 1 136 136 LYS HA H 1 4.303 0.007 . 1 . . . . B 136 LYS HA . 34443 1 1757 . 1 . 1 136 136 LYS HB2 H 1 1.783 0.016 . 2 . . . . B 136 LYS HB2 . 34443 1 1758 . 1 . 1 136 136 LYS HB3 H 1 1.798 0.013 . 2 . . . . B 136 LYS HB3 . 34443 1 1759 . 1 . 1 136 136 LYS HG2 H 1 1.440 0.010 . 2 . . . . B 136 LYS HG2 . 34443 1 1760 . 1 . 1 136 136 LYS HG3 H 1 1.444 0.009 . 2 . . . . B 136 LYS HG3 . 34443 1 1761 . 1 . 1 136 136 LYS HD2 H 1 1.695 0.003 . 1 . . . . B 136 LYS HD2 . 34443 1 1762 . 1 . 1 136 136 LYS HD3 H 1 1.695 0.003 . 1 . . . . B 136 LYS HD3 . 34443 1 1763 . 1 . 1 136 136 LYS HE2 H 1 3.011 0.011 . 1 . . . . B 136 LYS HE2 . 34443 1 1764 . 1 . 1 136 136 LYS HE3 H 1 3.011 0.011 . 1 . . . . B 136 LYS HE3 . 34443 1 1765 . 1 . 1 136 136 LYS C C 13 176.195 0.000 . 1 . . . . B 136 LYS C . 34443 1 1766 . 1 . 1 136 136 LYS CA C 13 56.358 0.031 . 1 . . . . B 136 LYS CA . 34443 1 1767 . 1 . 1 136 136 LYS CB C 13 33.182 0.038 . 1 . . . . B 136 LYS CB . 34443 1 1768 . 1 . 1 136 136 LYS CG C 13 24.775 0.017 . 1 . . . . B 136 LYS CG . 34443 1 1769 . 1 . 1 136 136 LYS CD C 13 29.178 0.035 . 1 . . . . B 136 LYS CD . 34443 1 1770 . 1 . 1 136 136 LYS CE C 13 42.124 0.018 . 1 . . . . B 136 LYS CE . 34443 1 1771 . 1 . 1 136 136 LYS N N 15 123.754 0.013 . 1 . . . . B 136 LYS N . 34443 1 1772 . 1 . 1 137 137 LYS H H 1 8.425 0.003 . 1 . . . . B 137 LYS H . 34443 1 1773 . 1 . 1 137 137 LYS HA H 1 4.302 0.009 . 1 . . . . B 137 LYS HA . 34443 1 1774 . 1 . 1 137 137 LYS HB2 H 1 1.796 0.011 . 2 . . . . B 137 LYS HB2 . 34443 1 1775 . 1 . 1 137 137 LYS HB3 H 1 1.786 0.013 . 2 . . . . B 137 LYS HB3 . 34443 1 1776 . 1 . 1 137 137 LYS HG2 H 1 1.439 0.009 . 2 . . . . B 137 LYS HG2 . 34443 1 1777 . 1 . 1 137 137 LYS HG3 H 1 1.441 0.009 . 2 . . . . B 137 LYS HG3 . 34443 1 1778 . 1 . 1 137 137 LYS HD2 H 1 1.695 0.003 . 1 . . . . B 137 LYS HD2 . 34443 1 1779 . 1 . 1 137 137 LYS HD3 H 1 1.695 0.003 . 1 . . . . B 137 LYS HD3 . 34443 1 1780 . 1 . 1 137 137 LYS HE2 H 1 3.011 0.010 . 1 . . . . B 137 LYS HE2 . 34443 1 1781 . 1 . 1 137 137 LYS HE3 H 1 3.011 0.010 . 1 . . . . B 137 LYS HE3 . 34443 1 1782 . 1 . 1 137 137 LYS C C 13 176.232 0.000 . 1 . . . . B 137 LYS C . 34443 1 1783 . 1 . 1 137 137 LYS CA C 13 56.339 0.020 . 1 . . . . B 137 LYS CA . 34443 1 1784 . 1 . 1 137 137 LYS CB C 13 33.155 0.022 . 1 . . . . B 137 LYS CB . 34443 1 1785 . 1 . 1 137 137 LYS CG C 13 24.763 0.034 . 1 . . . . B 137 LYS CG . 34443 1 1786 . 1 . 1 137 137 LYS CD C 13 29.165 0.016 . 1 . . . . B 137 LYS CD . 34443 1 1787 . 1 . 1 137 137 LYS CE C 13 42.128 0.012 . 1 . . . . B 137 LYS CE . 34443 1 1788 . 1 . 1 137 137 LYS N N 15 123.539 0.016 . 1 . . . . B 137 LYS N . 34443 1 1789 . 1 . 1 138 138 LEU H H 1 8.368 0.002 . 1 . . . . B 138 LEU H . 34443 1 1790 . 1 . 1 138 138 LEU HA H 1 4.358 0.010 . 1 . . . . B 138 LEU HA . 34443 1 1791 . 1 . 1 138 138 LEU HB2 H 1 1.623 0.014 . 2 . . . . B 138 LEU HB2 . 34443 1 1792 . 1 . 1 138 138 LEU HB3 H 1 1.638 0.009 . 2 . . . . B 138 LEU HB3 . 34443 1 1793 . 1 . 1 138 138 LEU HG H 1 1.649 0.001 . 1 . . . . B 138 LEU HG . 34443 1 1794 . 1 . 1 138 138 LEU HD11 H 1 0.887 0.011 . 2 . . . . B 138 LEU HD11 . 34443 1 1795 . 1 . 1 138 138 LEU HD12 H 1 0.887 0.011 . 2 . . . . B 138 LEU HD12 . 34443 1 1796 . 1 . 1 138 138 LEU HD13 H 1 0.887 0.011 . 2 . . . . B 138 LEU HD13 . 34443 1 1797 . 1 . 1 138 138 LEU HD21 H 1 0.933 0.009 . 2 . . . . B 138 LEU HD21 . 34443 1 1798 . 1 . 1 138 138 LEU HD22 H 1 0.933 0.009 . 2 . . . . B 138 LEU HD22 . 34443 1 1799 . 1 . 1 138 138 LEU HD23 H 1 0.933 0.009 . 2 . . . . B 138 LEU HD23 . 34443 1 1800 . 1 . 1 138 138 LEU C C 13 176.711 0.000 . 1 . . . . B 138 LEU C . 34443 1 1801 . 1 . 1 138 138 LEU CA C 13 55.015 0.032 . 1 . . . . B 138 LEU CA . 34443 1 1802 . 1 . 1 138 138 LEU CB C 13 42.488 0.019 . 1 . . . . B 138 LEU CB . 34443 1 1803 . 1 . 1 138 138 LEU CG C 13 26.985 0.063 . 1 . . . . B 138 LEU CG . 34443 1 1804 . 1 . 1 138 138 LEU CD1 C 13 23.479 0.021 . 2 . . . . B 138 LEU CD1 . 34443 1 1805 . 1 . 1 138 138 LEU CD2 C 13 24.874 0.022 . 2 . . . . B 138 LEU CD2 . 34443 1 1806 . 1 . 1 138 138 LEU N N 15 124.533 0.020 . 1 . . . . B 138 LEU N . 34443 1 1807 . 1 . 1 139 139 ALA H H 1 8.371 0.002 . 1 . . . . B 139 ALA H . 34443 1 1808 . 1 . 1 139 139 ALA HA H 1 4.381 0.008 . 1 . . . . B 139 ALA HA . 34443 1 1809 . 1 . 1 139 139 ALA HB1 H 1 1.438 0.004 . 1 . . . . B 139 ALA HB1 . 34443 1 1810 . 1 . 1 139 139 ALA HB2 H 1 1.438 0.004 . 1 . . . . B 139 ALA HB2 . 34443 1 1811 . 1 . 1 139 139 ALA HB3 H 1 1.438 0.004 . 1 . . . . B 139 ALA HB3 . 34443 1 1812 . 1 . 1 139 139 ALA C C 13 177.024 0.000 . 1 . . . . B 139 ALA C . 34443 1 1813 . 1 . 1 139 139 ALA CA C 13 52.485 0.010 . 1 . . . . B 139 ALA CA . 34443 1 1814 . 1 . 1 139 139 ALA CB C 13 19.432 0.024 . 1 . . . . B 139 ALA CB . 34443 1 1815 . 1 . 1 139 139 ALA N N 15 125.160 0.022 . 1 . . . . B 139 ALA N . 34443 1 1816 . 1 . 1 140 140 SER H H 1 8.290 0.003 . 1 . . . . B 140 SER H . 34443 1 1817 . 1 . 1 140 140 SER HA H 1 4.489 0.010 . 1 . . . . B 140 SER HA . 34443 1 1818 . 1 . 1 140 140 SER HB2 H 1 3.915 0.005 . 1 . . . . B 140 SER HB2 . 34443 1 1819 . 1 . 1 140 140 SER HB3 H 1 3.904 0.021 . 2 . . . . B 140 SER HB3 . 34443 1 1820 . 1 . 1 140 140 SER C C 13 174.483 0.000 . 1 . . . . B 140 SER C . 34443 1 1821 . 1 . 1 140 140 SER CA C 13 58.272 0.020 . 1 . . . . B 140 SER CA . 34443 1 1822 . 1 . 1 140 140 SER CB C 13 63.996 0.011 . 1 . . . . B 140 SER CB . 34443 1 1823 . 1 . 1 140 140 SER N N 15 115.220 0.016 . 1 . . . . B 140 SER N . 34443 1 1824 . 1 . 1 141 141 SER H H 1 7.981 0.003 . 1 . . . . B 141 SER H . 34443 1 1825 . 1 . 1 141 141 SER HA H 1 4.289 0.002 . 1 . . . . B 141 SER HA . 34443 1 1826 . 1 . 1 141 141 SER HB2 H 1 3.875 0.003 . 1 . . . . B 141 SER HB2 . 34443 1 1827 . 1 . 1 141 141 SER HB3 H 1 3.875 0.003 . 1 . . . . B 141 SER HB3 . 34443 1 1828 . 1 . 1 141 141 SER CA C 13 60.049 0.003 . 1 . . . . B 141 SER CA . 34443 1 1829 . 1 . 1 141 141 SER CB C 13 64.824 0.005 . 1 . . . . B 141 SER CB . 34443 1 1830 . 1 . 1 141 141 SER N N 15 122.917 0.007 . 1 . . . . B 141 SER N . 34443 1 stop_ save_