data_27961 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27961 _Entry.Title ; NMR resonance assignments of the hazelnut allergen isoform Cor a 1.0402 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-27 _Entry.Accession_date 2019-06-27 _Entry.Last_release_date 2019-06-27 _Entry.Original_release_date 2019-06-27 _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 _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 Sebastian Fuehrer . . . . 27961 2 Ricarda Zeindl . . . . 27961 3 Martin Tollinger . . . . 27961 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27961 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 665 27961 '15N chemical shifts' 156 27961 '1H chemical shifts' 998 27961 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 . . 2020-03-31 2019-06-27 update BMRB 'update entry citation' 27961 1 . . 2019-11-08 2019-06-27 original author 'original release' 27961 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27965 'Cor a 1.0401' 27961 BMRB 27967 'Cor a 1.0403' 27961 BMRB 28016 'Cor a 1.0404' 27961 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27961 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31691092 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the four isoforms of the hazelnut allergen Cor a 1.04 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 45 _Citation.Page_last 49 _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 Sebastian Fuehrer . . . . 27961 1 2 Ricarda Zeindl . . . . 27961 1 3 Martin Tollinger . . . . 27961 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27961 _Assembly.ID 1 _Assembly.Name 'Cor a 1.0402' _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 'Cor a 1.0402' 1 $Cor_a_1.0402 A . yes native no no . . . 27961 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cor_a_1.0402 _Entity.Sf_category entity _Entity.Sf_framecode Cor_a_1.0402 _Entity.Entry_ID 27961 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cor_a_1.0402 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GVFSYEDEATSVIPPARLFK SFVLDADNLIPKVAPQHFTG AENLEGNGGPGTIKKITFAE GSEFKYMKHKVEEIDHANFK YCYSIIEGGPLGHTLEKISY EIKMAAAPHGGGSILKITSK YHTKGNASISEEEIKAGKEK AAGLFKAVEAYLLAHPDTYC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27961 1 2 . VAL . 27961 1 3 . PHE . 27961 1 4 . SER . 27961 1 5 . TYR . 27961 1 6 . GLU . 27961 1 7 . ASP . 27961 1 8 . GLU . 27961 1 9 . ALA . 27961 1 10 . THR . 27961 1 11 . SER . 27961 1 12 . VAL . 27961 1 13 . ILE . 27961 1 14 . PRO . 27961 1 15 . PRO . 27961 1 16 . ALA . 27961 1 17 . ARG . 27961 1 18 . LEU . 27961 1 19 . PHE . 27961 1 20 . LYS . 27961 1 21 . SER . 27961 1 22 . PHE . 27961 1 23 . VAL . 27961 1 24 . LEU . 27961 1 25 . ASP . 27961 1 26 . ALA . 27961 1 27 . ASP . 27961 1 28 . ASN . 27961 1 29 . LEU . 27961 1 30 . ILE . 27961 1 31 . PRO . 27961 1 32 . LYS . 27961 1 33 . VAL . 27961 1 34 . ALA . 27961 1 35 . PRO . 27961 1 36 . GLN . 27961 1 37 . HIS . 27961 1 38 . PHE . 27961 1 39 . THR . 27961 1 40 . GLY . 27961 1 41 . ALA . 27961 1 42 . GLU . 27961 1 43 . ASN . 27961 1 44 . LEU . 27961 1 45 . GLU . 27961 1 46 . GLY . 27961 1 47 . ASN . 27961 1 48 . GLY . 27961 1 49 . GLY . 27961 1 50 . PRO . 27961 1 51 . GLY . 27961 1 52 . THR . 27961 1 53 . ILE . 27961 1 54 . LYS . 27961 1 55 . LYS . 27961 1 56 . ILE . 27961 1 57 . THR . 27961 1 58 . PHE . 27961 1 59 . ALA . 27961 1 60 . GLU . 27961 1 61 . GLY . 27961 1 62 . SER . 27961 1 63 . GLU . 27961 1 64 . PHE . 27961 1 65 . LYS . 27961 1 66 . TYR . 27961 1 67 . MET . 27961 1 68 . LYS . 27961 1 69 . HIS . 27961 1 70 . LYS . 27961 1 71 . VAL . 27961 1 72 . GLU . 27961 1 73 . GLU . 27961 1 74 . ILE . 27961 1 75 . ASP . 27961 1 76 . HIS . 27961 1 77 . ALA . 27961 1 78 . ASN . 27961 1 79 . PHE . 27961 1 80 . LYS . 27961 1 81 . TYR . 27961 1 82 . CYS . 27961 1 83 . TYR . 27961 1 84 . SER . 27961 1 85 . ILE . 27961 1 86 . ILE . 27961 1 87 . GLU . 27961 1 88 . GLY . 27961 1 89 . GLY . 27961 1 90 . PRO . 27961 1 91 . LEU . 27961 1 92 . GLY . 27961 1 93 . HIS . 27961 1 94 . THR . 27961 1 95 . LEU . 27961 1 96 . GLU . 27961 1 97 . LYS . 27961 1 98 . ILE . 27961 1 99 . SER . 27961 1 100 . TYR . 27961 1 101 . GLU . 27961 1 102 . ILE . 27961 1 103 . LYS . 27961 1 104 . MET . 27961 1 105 . ALA . 27961 1 106 . ALA . 27961 1 107 . ALA . 27961 1 108 . PRO . 27961 1 109 . HIS . 27961 1 110 . GLY . 27961 1 111 . GLY . 27961 1 112 . GLY . 27961 1 113 . SER . 27961 1 114 . ILE . 27961 1 115 . LEU . 27961 1 116 . LYS . 27961 1 117 . ILE . 27961 1 118 . THR . 27961 1 119 . SER . 27961 1 120 . LYS . 27961 1 121 . TYR . 27961 1 122 . HIS . 27961 1 123 . THR . 27961 1 124 . LYS . 27961 1 125 . GLY . 27961 1 126 . ASN . 27961 1 127 . ALA . 27961 1 128 . SER . 27961 1 129 . ILE . 27961 1 130 . SER . 27961 1 131 . GLU . 27961 1 132 . GLU . 27961 1 133 . GLU . 27961 1 134 . ILE . 27961 1 135 . LYS . 27961 1 136 . ALA . 27961 1 137 . GLY . 27961 1 138 . LYS . 27961 1 139 . GLU . 27961 1 140 . LYS . 27961 1 141 . ALA . 27961 1 142 . ALA . 27961 1 143 . GLY . 27961 1 144 . LEU . 27961 1 145 . PHE . 27961 1 146 . LYS . 27961 1 147 . ALA . 27961 1 148 . VAL . 27961 1 149 . GLU . 27961 1 150 . ALA . 27961 1 151 . TYR . 27961 1 152 . LEU . 27961 1 153 . LEU . 27961 1 154 . ALA . 27961 1 155 . HIS . 27961 1 156 . PRO . 27961 1 157 . ASP . 27961 1 158 . THR . 27961 1 159 . TYR . 27961 1 160 . CYS . 27961 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 . GLY 1 1 27961 1 . VAL 2 2 27961 1 . PHE 3 3 27961 1 . SER 4 4 27961 1 . TYR 5 5 27961 1 . GLU 6 6 27961 1 . ASP 7 7 27961 1 . GLU 8 8 27961 1 . ALA 9 9 27961 1 . THR 10 10 27961 1 . SER 11 11 27961 1 . VAL 12 12 27961 1 . ILE 13 13 27961 1 . PRO 14 14 27961 1 . PRO 15 15 27961 1 . ALA 16 16 27961 1 . ARG 17 17 27961 1 . LEU 18 18 27961 1 . PHE 19 19 27961 1 . LYS 20 20 27961 1 . SER 21 21 27961 1 . PHE 22 22 27961 1 . VAL 23 23 27961 1 . LEU 24 24 27961 1 . ASP 25 25 27961 1 . ALA 26 26 27961 1 . ASP 27 27 27961 1 . ASN 28 28 27961 1 . LEU 29 29 27961 1 . ILE 30 30 27961 1 . PRO 31 31 27961 1 . LYS 32 32 27961 1 . VAL 33 33 27961 1 . ALA 34 34 27961 1 . PRO 35 35 27961 1 . GLN 36 36 27961 1 . HIS 37 37 27961 1 . PHE 38 38 27961 1 . THR 39 39 27961 1 . GLY 40 40 27961 1 . ALA 41 41 27961 1 . GLU 42 42 27961 1 . ASN 43 43 27961 1 . LEU 44 44 27961 1 . GLU 45 45 27961 1 . GLY 46 46 27961 1 . ASN 47 47 27961 1 . GLY 48 48 27961 1 . GLY 49 49 27961 1 . PRO 50 50 27961 1 . GLY 51 51 27961 1 . THR 52 52 27961 1 . ILE 53 53 27961 1 . LYS 54 54 27961 1 . LYS 55 55 27961 1 . ILE 56 56 27961 1 . THR 57 57 27961 1 . PHE 58 58 27961 1 . ALA 59 59 27961 1 . GLU 60 60 27961 1 . GLY 61 61 27961 1 . SER 62 62 27961 1 . GLU 63 63 27961 1 . PHE 64 64 27961 1 . LYS 65 65 27961 1 . TYR 66 66 27961 1 . MET 67 67 27961 1 . LYS 68 68 27961 1 . HIS 69 69 27961 1 . LYS 70 70 27961 1 . VAL 71 71 27961 1 . GLU 72 72 27961 1 . GLU 73 73 27961 1 . ILE 74 74 27961 1 . ASP 75 75 27961 1 . HIS 76 76 27961 1 . ALA 77 77 27961 1 . ASN 78 78 27961 1 . PHE 79 79 27961 1 . LYS 80 80 27961 1 . TYR 81 81 27961 1 . CYS 82 82 27961 1 . TYR 83 83 27961 1 . SER 84 84 27961 1 . ILE 85 85 27961 1 . ILE 86 86 27961 1 . GLU 87 87 27961 1 . GLY 88 88 27961 1 . GLY 89 89 27961 1 . PRO 90 90 27961 1 . LEU 91 91 27961 1 . GLY 92 92 27961 1 . HIS 93 93 27961 1 . THR 94 94 27961 1 . LEU 95 95 27961 1 . GLU 96 96 27961 1 . LYS 97 97 27961 1 . ILE 98 98 27961 1 . SER 99 99 27961 1 . TYR 100 100 27961 1 . GLU 101 101 27961 1 . ILE 102 102 27961 1 . LYS 103 103 27961 1 . MET 104 104 27961 1 . ALA 105 105 27961 1 . ALA 106 106 27961 1 . ALA 107 107 27961 1 . PRO 108 108 27961 1 . HIS 109 109 27961 1 . GLY 110 110 27961 1 . GLY 111 111 27961 1 . GLY 112 112 27961 1 . SER 113 113 27961 1 . ILE 114 114 27961 1 . LEU 115 115 27961 1 . LYS 116 116 27961 1 . ILE 117 117 27961 1 . THR 118 118 27961 1 . SER 119 119 27961 1 . LYS 120 120 27961 1 . TYR 121 121 27961 1 . HIS 122 122 27961 1 . THR 123 123 27961 1 . LYS 124 124 27961 1 . GLY 125 125 27961 1 . ASN 126 126 27961 1 . ALA 127 127 27961 1 . SER 128 128 27961 1 . ILE 129 129 27961 1 . SER 130 130 27961 1 . GLU 131 131 27961 1 . GLU 132 132 27961 1 . GLU 133 133 27961 1 . ILE 134 134 27961 1 . LYS 135 135 27961 1 . ALA 136 136 27961 1 . GLY 137 137 27961 1 . LYS 138 138 27961 1 . GLU 139 139 27961 1 . LYS 140 140 27961 1 . ALA 141 141 27961 1 . ALA 142 142 27961 1 . GLY 143 143 27961 1 . LEU 144 144 27961 1 . PHE 145 145 27961 1 . LYS 146 146 27961 1 . ALA 147 147 27961 1 . VAL 148 148 27961 1 . GLU 149 149 27961 1 . ALA 150 150 27961 1 . TYR 151 151 27961 1 . LEU 152 152 27961 1 . LEU 153 153 27961 1 . ALA 154 154 27961 1 . HIS 155 155 27961 1 . PRO 156 156 27961 1 . ASP 157 157 27961 1 . THR 158 158 27961 1 . TYR 159 159 27961 1 . CYS 160 160 27961 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 27961 _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 $Cor_a_1.0402 . 13451 organism . 'Corylus avellana' 'European hazelnut' . . Eukaryota Viridiplantae Corylus avellana . . . . . . . . . . . . . 27961 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 27961 _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 $Cor_a_1.0402 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Star (DE3)' . . . . . pET28b(+) . . . 27961 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27961 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cor a 1.0402' '[U-99% 13C; U-99% 15N]' . . 1 $Cor_a_1.0402 . . 0.5 . . mM . . . . 27961 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27961 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27961 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27961 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cor a 1.0402' '[U-99% 15N]' . . 1 $Cor_a_1.0402 . . 0.5 . . mM . . . . 27961 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27961 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27961 2 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 27961 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 . pH 27961 1 pressure 1 . atm 27961 1 temperature 298 . K 27961 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27961 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27961 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27961 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27961 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 27961 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent DD2 . 500 . . . 27961 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 27961 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 2 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 11 '3D (H)CC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27961 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27961 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27961 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.00000000000000 . . . . . 27961 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27961 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27961 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27961 1 2 '2D 1H-15N HSQC NH2 only' . . . 27961 1 3 '2D 1H-13C HSQC' . . . 27961 1 4 '2D 1H-13C HSQC aromatic' . . . 27961 1 5 '3D HNCO' . . . 27961 1 6 '3D HN(CA)CO' . . . 27961 1 7 '3D HNCACB' . . . 27961 1 8 '3D CBCA(CO)NH' . . . 27961 1 9 '3D HCCH-TOCSY' . . . 27961 1 10 '3D 1H-15N TOCSY' . . . 27961 1 11 '3D (H)CC(CO)NH-TOCSY' . . . 27961 1 12 '3D 1H-15N NOESY' . . . 27961 1 13 '3D 1H-13C NOESY' . . . 27961 1 14 '3D 1H-13C NOESY aromatic' . . . 27961 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 GLY HA2 H 1 3.769 0.010 . 1 . . . . . 1 GLY HA2 . 27961 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.769 0.010 . 1 . . . . . 1 GLY HA3 . 27961 1 3 . 1 . 1 1 1 GLY C C 13 169.032 0.10 . 1 . . . . . 1 GLY C . 27961 1 4 . 1 . 1 1 1 GLY CA C 13 43.368 0.002 . 1 . . . . . 1 GLY CA . 27961 1 5 . 1 . 1 2 2 VAL H H 1 8.055 0.007 . 1 . . . . . 2 VAL H . 27961 1 6 . 1 . 1 2 2 VAL HA H 1 4.877 0.015 . 1 . . . . . 2 VAL HA . 27961 1 7 . 1 . 1 2 2 VAL HB H 1 1.627 0.018 . 1 . . . . . 2 VAL HB . 27961 1 8 . 1 . 1 2 2 VAL HG11 H 1 0.440 0.013 . 1 . . . . . 2 VAL MG1 . 27961 1 9 . 1 . 1 2 2 VAL HG12 H 1 0.440 0.013 . 1 . . . . . 2 VAL MG1 . 27961 1 10 . 1 . 1 2 2 VAL HG13 H 1 0.440 0.013 . 1 . . . . . 2 VAL MG1 . 27961 1 11 . 1 . 1 2 2 VAL HG21 H 1 0.440 0.013 . 1 . . . . . 2 VAL MG2 . 27961 1 12 . 1 . 1 2 2 VAL HG22 H 1 0.440 0.013 . 1 . . . . . 2 VAL MG2 . 27961 1 13 . 1 . 1 2 2 VAL HG23 H 1 0.440 0.013 . 1 . . . . . 2 VAL MG2 . 27961 1 14 . 1 . 1 2 2 VAL C C 13 174.571 0.10 . 1 . . . . . 2 VAL C . 27961 1 15 . 1 . 1 2 2 VAL CA C 13 61.240 0.015 . 1 . . . . . 2 VAL CA . 27961 1 16 . 1 . 1 2 2 VAL CB C 13 33.624 0.008 . 1 . . . . . 2 VAL CB . 27961 1 17 . 1 . 1 2 2 VAL CG1 C 13 20.560 0.015 . 1 . . . . . 2 VAL CG1 . 27961 1 18 . 1 . 1 2 2 VAL CG2 C 13 20.560 0.015 . 1 . . . . . 2 VAL CG2 . 27961 1 19 . 1 . 1 2 2 VAL N N 15 120.169 0.003 . 1 . . . . . 2 VAL N . 27961 1 20 . 1 . 1 3 3 PHE H H 1 8.773 0.006 . 1 . . . . . 3 PHE H . 27961 1 21 . 1 . 1 3 3 PHE HA H 1 4.665 0.015 . 1 . . . . . 3 PHE HA . 27961 1 22 . 1 . 1 3 3 PHE HB2 H 1 3.239 0.011 . 2 . . . . . 3 PHE HB2 . 27961 1 23 . 1 . 1 3 3 PHE HB3 H 1 2.894 0.008 . 2 . . . . . 3 PHE HB3 . 27961 1 24 . 1 . 1 3 3 PHE HD1 H 1 7.234 0.003 . 3 . . . . . 3 PHE HD1 . 27961 1 25 . 1 . 1 3 3 PHE HD2 H 1 7.234 0.003 . 3 . . . . . 3 PHE HD2 . 27961 1 26 . 1 . 1 3 3 PHE HE1 H 1 7.399 0.006 . 3 . . . . . 3 PHE HE1 . 27961 1 27 . 1 . 1 3 3 PHE HE2 H 1 7.399 0.006 . 3 . . . . . 3 PHE HE2 . 27961 1 28 . 1 . 1 3 3 PHE C C 13 174.260 0.10 . 1 . . . . . 3 PHE C . 27961 1 29 . 1 . 1 3 3 PHE CA C 13 56.720 0.010 . 1 . . . . . 3 PHE CA . 27961 1 30 . 1 . 1 3 3 PHE CB C 13 42.100 0.001 . 1 . . . . . 3 PHE CB . 27961 1 31 . 1 . 1 3 3 PHE CD1 C 13 132.416 0.015 . 1 . . . . . 3 PHE CD1 . 27961 1 32 . 1 . 1 3 3 PHE CD2 C 13 132.416 0.015 . 1 . . . . . 3 PHE CD2 . 27961 1 33 . 1 . 1 3 3 PHE CE1 C 13 131.323 0.015 . 1 . . . . . 3 PHE CE1 . 27961 1 34 . 1 . 1 3 3 PHE CE2 C 13 131.323 0.015 . 1 . . . . . 3 PHE CE2 . 27961 1 35 . 1 . 1 3 3 PHE N N 15 127.949 0.026 . 1 . . . . . 3 PHE N . 27961 1 36 . 1 . 1 4 4 SER H H 1 8.422 0.009 . 1 . . . . . 4 SER H . 27961 1 37 . 1 . 1 4 4 SER HA H 1 5.588 0.019 . 1 . . . . . 4 SER HA . 27961 1 38 . 1 . 1 4 4 SER HB2 H 1 3.511 0.007 . 1 . . . . . 4 SER HB2 . 27961 1 39 . 1 . 1 4 4 SER HB3 H 1 3.511 0.007 . 1 . . . . . 4 SER HB3 . 27961 1 40 . 1 . 1 4 4 SER C C 13 172.953 0.10 . 1 . . . . . 4 SER C . 27961 1 41 . 1 . 1 4 4 SER CA C 13 56.827 0.007 . 1 . . . . . 4 SER CA . 27961 1 42 . 1 . 1 4 4 SER CB C 13 65.372 0.025 . 1 . . . . . 4 SER CB . 27961 1 43 . 1 . 1 4 4 SER N N 15 118.761 0.033 . 1 . . . . . 4 SER N . 27961 1 44 . 1 . 1 5 5 TYR H H 1 9.024 0.007 . 1 . . . . . 5 TYR H . 27961 1 45 . 1 . 1 5 5 TYR HA H 1 4.761 0.018 . 1 . . . . . 5 TYR HA . 27961 1 46 . 1 . 1 5 5 TYR HB2 H 1 2.894 0.010 . 1 . . . . . 5 TYR HB2 . 27961 1 47 . 1 . 1 5 5 TYR HB3 H 1 2.894 0.010 . 1 . . . . . 5 TYR HB3 . 27961 1 48 . 1 . 1 5 5 TYR HD1 H 1 7.143 0.009 . 3 . . . . . 5 TYR HD1 . 27961 1 49 . 1 . 1 5 5 TYR HD2 H 1 7.143 0.009 . 3 . . . . . 5 TYR HD2 . 27961 1 50 . 1 . 1 5 5 TYR HE1 H 1 6.645 0.017 . 3 . . . . . 5 TYR HE1 . 27961 1 51 . 1 . 1 5 5 TYR HE2 H 1 6.645 0.017 . 3 . . . . . 5 TYR HE2 . 27961 1 52 . 1 . 1 5 5 TYR C C 13 173.836 0.10 . 1 . . . . . 5 TYR C . 27961 1 53 . 1 . 1 5 5 TYR CA C 13 57.353 0.015 . 1 . . . . . 5 TYR CA . 27961 1 54 . 1 . 1 5 5 TYR CB C 13 42.099 0.005 . 1 . . . . . 5 TYR CB . 27961 1 55 . 1 . 1 5 5 TYR CD1 C 13 132.962 0.10 . 1 . . . . . 5 TYR CD1 . 27961 1 56 . 1 . 1 5 5 TYR CD2 C 13 132.962 0.10 . 1 . . . . . 5 TYR CD2 . 27961 1 57 . 1 . 1 5 5 TYR CE1 C 13 118.390 0.009 . 1 . . . . . 5 TYR CE1 . 27961 1 58 . 1 . 1 5 5 TYR CE2 C 13 118.390 0.009 . 1 . . . . . 5 TYR CE2 . 27961 1 59 . 1 . 1 5 5 TYR N N 15 123.147 0.074 . 1 . . . . . 5 TYR N . 27961 1 60 . 1 . 1 6 6 GLU H H 1 8.628 0.014 . 1 . . . . . 6 GLU H . 27961 1 61 . 1 . 1 6 6 GLU HA H 1 5.317 0.016 . 1 . . . . . 6 GLU HA . 27961 1 62 . 1 . 1 6 6 GLU HB2 H 1 1.956 0.009 . 1 . . . . . 6 GLU HB2 . 27961 1 63 . 1 . 1 6 6 GLU HB3 H 1 1.956 0.009 . 1 . . . . . 6 GLU HB3 . 27961 1 64 . 1 . 1 6 6 GLU HG2 H 1 2.237 0.022 . 1 . . . . . 6 GLU HG2 . 27961 1 65 . 1 . 1 6 6 GLU HG3 H 1 2.237 0.022 . 1 . . . . . 6 GLU HG3 . 27961 1 66 . 1 . 1 6 6 GLU C C 13 174.953 0.10 . 1 . . . . . 6 GLU C . 27961 1 67 . 1 . 1 6 6 GLU CA C 13 54.890 0.015 . 1 . . . . . 6 GLU CA . 27961 1 68 . 1 . 1 6 6 GLU CB C 13 33.280 0.015 . 1 . . . . . 6 GLU CB . 27961 1 69 . 1 . 1 6 6 GLU CG C 13 36.360 0.015 . 1 . . . . . 6 GLU CG . 27961 1 70 . 1 . 1 6 6 GLU N N 15 121.564 0.033 . 1 . . . . . 6 GLU N . 27961 1 71 . 1 . 1 7 7 ASP H H 1 8.941 0.014 . 1 . . . . . 7 ASP H . 27961 1 72 . 1 . 1 7 7 ASP HA H 1 5.141 0.014 . 1 . . . . . 7 ASP HA . 27961 1 73 . 1 . 1 7 7 ASP HB2 H 1 2.594 0.007 . 1 . . . . . 7 ASP HB2 . 27961 1 74 . 1 . 1 7 7 ASP HB3 H 1 2.594 0.007 . 1 . . . . . 7 ASP HB3 . 27961 1 75 . 1 . 1 7 7 ASP C C 13 174.391 0.10 . 1 . . . . . 7 ASP C . 27961 1 76 . 1 . 1 7 7 ASP CA C 13 53.400 0.015 . 1 . . . . . 7 ASP CA . 27961 1 77 . 1 . 1 7 7 ASP CB C 13 45.650 0.015 . 1 . . . . . 7 ASP CB . 27961 1 78 . 1 . 1 7 7 ASP N N 15 122.993 0.040 . 1 . . . . . 7 ASP N . 27961 1 79 . 1 . 1 8 8 GLU H H 1 8.534 0.008 . 1 . . . . . 8 GLU H . 27961 1 80 . 1 . 1 8 8 GLU HA H 1 5.461 0.016 . 1 . . . . . 8 GLU HA . 27961 1 81 . 1 . 1 8 8 GLU HB2 H 1 2.137 0.014 . 1 . . . . . 8 GLU HB2 . 27961 1 82 . 1 . 1 8 8 GLU HB3 H 1 2.137 0.014 . 1 . . . . . 8 GLU HB3 . 27961 1 83 . 1 . 1 8 8 GLU HG2 H 1 2.226 0.013 . 1 . . . . . 8 GLU HG2 . 27961 1 84 . 1 . 1 8 8 GLU HG3 H 1 2.226 0.013 . 1 . . . . . 8 GLU HG3 . 27961 1 85 . 1 . 1 8 8 GLU C C 13 174.857 0.10 . 1 . . . . . 8 GLU C . 27961 1 86 . 1 . 1 8 8 GLU CA C 13 54.561 0.001 . 1 . . . . . 8 GLU CA . 27961 1 87 . 1 . 1 8 8 GLU CB C 13 33.969 0.001 . 1 . . . . . 8 GLU CB . 27961 1 88 . 1 . 1 8 8 GLU CG C 13 37.170 0.015 . 1 . . . . . 8 GLU CG . 27961 1 89 . 1 . 1 8 8 GLU N N 15 121.858 0.035 . 1 . . . . . 8 GLU N . 27961 1 90 . 1 . 1 9 9 ALA H H 1 8.991 0.011 . 1 . . . . . 9 ALA H . 27961 1 91 . 1 . 1 9 9 ALA HA H 1 4.786 0.017 . 1 . . . . . 9 ALA HA . 27961 1 92 . 1 . 1 9 9 ALA HB1 H 1 1.158 0.020 . 1 . . . . . 9 ALA MB . 27961 1 93 . 1 . 1 9 9 ALA HB2 H 1 1.158 0.020 . 1 . . . . . 9 ALA MB . 27961 1 94 . 1 . 1 9 9 ALA HB3 H 1 1.158 0.020 . 1 . . . . . 9 ALA MB . 27961 1 95 . 1 . 1 9 9 ALA C C 13 175.473 0.10 . 1 . . . . . 9 ALA C . 27961 1 96 . 1 . 1 9 9 ALA CA C 13 50.772 0.015 . 1 . . . . . 9 ALA CA . 27961 1 97 . 1 . 1 9 9 ALA CB C 13 22.610 0.006 . 1 . . . . . 9 ALA CB . 27961 1 98 . 1 . 1 9 9 ALA N N 15 126.198 0.034 . 1 . . . . . 9 ALA N . 27961 1 99 . 1 . 1 10 10 THR H H 1 8.350 0.004 . 1 . . . . . 10 THR H . 27961 1 100 . 1 . 1 10 10 THR HA H 1 5.030 0.013 . 1 . . . . . 10 THR HA . 27961 1 101 . 1 . 1 10 10 THR HB H 1 4.274 0.015 . 1 . . . . . 10 THR HB . 27961 1 102 . 1 . 1 10 10 THR HG21 H 1 1.185 0.014 . 1 . . . . . 10 THR MG . 27961 1 103 . 1 . 1 10 10 THR HG22 H 1 1.185 0.014 . 1 . . . . . 10 THR MG . 27961 1 104 . 1 . 1 10 10 THR HG23 H 1 1.185 0.014 . 1 . . . . . 10 THR MG . 27961 1 105 . 1 . 1 10 10 THR C C 13 173.353 0.10 . 1 . . . . . 10 THR C . 27961 1 106 . 1 . 1 10 10 THR CA C 13 60.010 0.001 . 1 . . . . . 10 THR CA . 27961 1 107 . 1 . 1 10 10 THR CB C 13 71.372 0.015 . 1 . . . . . 10 THR CB . 27961 1 108 . 1 . 1 10 10 THR CG2 C 13 21.715 0.008 . 1 . . . . . 10 THR CG2 . 27961 1 109 . 1 . 1 10 10 THR N N 15 110.702 0.027 . 1 . . . . . 10 THR N . 27961 1 110 . 1 . 1 11 11 SER H H 1 8.350 0.016 . 1 . . . . . 11 SER H . 27961 1 111 . 1 . 1 11 11 SER HA H 1 5.046 0.020 . 1 . . . . . 11 SER HA . 27961 1 112 . 1 . 1 11 11 SER HB2 H 1 3.386 0.013 . 2 . . . . . 11 SER HB2 . 27961 1 113 . 1 . 1 11 11 SER HB3 H 1 3.785 0.013 . 2 . . . . . 11 SER HB3 . 27961 1 114 . 1 . 1 11 11 SER C C 13 175.365 0.10 . 1 . . . . . 11 SER C . 27961 1 115 . 1 . 1 11 11 SER CA C 13 56.079 0.015 . 1 . . . . . 11 SER CA . 27961 1 116 . 1 . 1 11 11 SER CB C 13 65.850 0.015 . 1 . . . . . 11 SER CB . 27961 1 117 . 1 . 1 11 11 SER N N 15 112.989 0.023 . 1 . . . . . 11 SER N . 27961 1 118 . 1 . 1 12 12 VAL H H 1 8.313 0.012 . 1 . . . . . 12 VAL H . 27961 1 119 . 1 . 1 12 12 VAL HA H 1 4.364 0.023 . 1 . . . . . 12 VAL HA . 27961 1 120 . 1 . 1 12 12 VAL HB H 1 2.394 0.011 . 1 . . . . . 12 VAL HB . 27961 1 121 . 1 . 1 12 12 VAL HG11 H 1 1.016 0.017 . 2 . . . . . 12 VAL MG1 . 27961 1 122 . 1 . 1 12 12 VAL HG12 H 1 1.016 0.017 . 2 . . . . . 12 VAL MG1 . 27961 1 123 . 1 . 1 12 12 VAL HG13 H 1 1.016 0.017 . 2 . . . . . 12 VAL MG1 . 27961 1 124 . 1 . 1 12 12 VAL HG21 H 1 0.902 0.019 . 2 . . . . . 12 VAL MG2 . 27961 1 125 . 1 . 1 12 12 VAL HG22 H 1 0.902 0.019 . 2 . . . . . 12 VAL MG2 . 27961 1 126 . 1 . 1 12 12 VAL HG23 H 1 0.902 0.019 . 2 . . . . . 12 VAL MG2 . 27961 1 127 . 1 . 1 12 12 VAL C C 13 175.872 0.10 . 1 . . . . . 12 VAL C . 27961 1 128 . 1 . 1 12 12 VAL CA C 13 62.670 0.015 . 1 . . . . . 12 VAL CA . 27961 1 129 . 1 . 1 12 12 VAL CB C 13 31.562 0.015 . 1 . . . . . 12 VAL CB . 27961 1 130 . 1 . 1 12 12 VAL CG1 C 13 21.178 0.015 . 2 . . . . . 12 VAL CG1 . 27961 1 131 . 1 . 1 12 12 VAL CG2 C 13 18.856 0.011 . 2 . . . . . 12 VAL CG2 . 27961 1 132 . 1 . 1 12 12 VAL N N 15 121.025 0.040 . 1 . . . . . 12 VAL N . 27961 1 133 . 1 . 1 13 13 ILE H H 1 8.530 0.014 . 1 . . . . . 13 ILE H . 27961 1 134 . 1 . 1 13 13 ILE HA H 1 4.358 0.021 . 1 . . . . . 13 ILE HA . 27961 1 135 . 1 . 1 13 13 ILE HB H 1 2.025 0.011 . 1 . . . . . 13 ILE HB . 27961 1 136 . 1 . 1 13 13 ILE HG12 H 1 1.439 0.05 . 1 . . . . . 13 ILE HG12 . 27961 1 137 . 1 . 1 13 13 ILE HG13 H 1 1.439 0.05 . 1 . . . . . 13 ILE HG13 . 27961 1 138 . 1 . 1 13 13 ILE HG21 H 1 1.149 0.05 . 1 . . . . . 13 ILE MG . 27961 1 139 . 1 . 1 13 13 ILE HG22 H 1 1.149 0.05 . 1 . . . . . 13 ILE MG . 27961 1 140 . 1 . 1 13 13 ILE HG23 H 1 1.149 0.05 . 1 . . . . . 13 ILE MG . 27961 1 141 . 1 . 1 13 13 ILE HD11 H 1 0.767 0.05 . 1 . . . . . 13 ILE MD . 27961 1 142 . 1 . 1 13 13 ILE HD12 H 1 0.767 0.05 . 1 . . . . . 13 ILE MD . 27961 1 143 . 1 . 1 13 13 ILE HD13 H 1 0.767 0.05 . 1 . . . . . 13 ILE MD . 27961 1 144 . 1 . 1 13 13 ILE C C 13 173.556 0.10 . 1 . . . . . 13 ILE C . 27961 1 145 . 1 . 1 13 13 ILE CA C 13 57.114 0.015 . 1 . . . . . 13 ILE CA . 27961 1 146 . 1 . 1 13 13 ILE CB C 13 37.204 0.015 . 1 . . . . . 13 ILE CB . 27961 1 147 . 1 . 1 13 13 ILE CG2 C 13 16.953 0.015 . 1 . . . . . 13 ILE CG2 . 27961 1 148 . 1 . 1 13 13 ILE CD1 C 13 11.240 0.015 . 1 . . . . . 13 ILE CD1 . 27961 1 149 . 1 . 1 13 13 ILE N N 15 125.314 0.025 . 1 . . . . . 13 ILE N . 27961 1 150 . 1 . 1 15 15 PRO HA H 1 3.886 0.015 . 1 . . . . . 15 PRO HA . 27961 1 151 . 1 . 1 15 15 PRO HB2 H 1 1.757 0.012 . 1 . . . . . 15 PRO HB2 . 27961 1 152 . 1 . 1 15 15 PRO HB3 H 1 1.757 0.012 . 1 . . . . . 15 PRO HB3 . 27961 1 153 . 1 . 1 15 15 PRO HG2 H 1 1.761 0.010 . 1 . . . . . 15 PRO HG2 . 27961 1 154 . 1 . 1 15 15 PRO HG3 H 1 1.761 0.010 . 1 . . . . . 15 PRO HG3 . 27961 1 155 . 1 . 1 15 15 PRO HD2 H 1 3.642 0.012 . 1 . . . . . 15 PRO HD2 . 27961 1 156 . 1 . 1 15 15 PRO HD3 H 1 3.642 0.012 . 1 . . . . . 15 PRO HD3 . 27961 1 157 . 1 . 1 15 15 PRO C C 13 177.490 0.10 . 1 . . . . . 15 PRO C . 27961 1 158 . 1 . 1 15 15 PRO CA C 13 65.954 0.015 . 1 . . . . . 15 PRO CA . 27961 1 159 . 1 . 1 15 15 PRO CB C 13 30.622 0.015 . 1 . . . . . 15 PRO CB . 27961 1 160 . 1 . 1 15 15 PRO CG C 13 26.823 0.015 . 1 . . . . . 15 PRO CG . 27961 1 161 . 1 . 1 15 15 PRO CD C 13 49.891 0.015 . 1 . . . . . 15 PRO CD . 27961 1 162 . 1 . 1 16 16 ALA H H 1 8.260 0.012 . 1 . . . . . 16 ALA H . 27961 1 163 . 1 . 1 16 16 ALA HA H 1 3.881 0.019 . 1 . . . . . 16 ALA HA . 27961 1 164 . 1 . 1 16 16 ALA HB1 H 1 1.514 0.012 . 1 . . . . . 16 ALA MB . 27961 1 165 . 1 . 1 16 16 ALA HB2 H 1 1.514 0.012 . 1 . . . . . 16 ALA MB . 27961 1 166 . 1 . 1 16 16 ALA HB3 H 1 1.514 0.012 . 1 . . . . . 16 ALA MB . 27961 1 167 . 1 . 1 16 16 ALA C C 13 180.051 0.10 . 1 . . . . . 16 ALA C . 27961 1 168 . 1 . 1 16 16 ALA CA C 13 55.706 0.015 . 1 . . . . . 16 ALA CA . 27961 1 169 . 1 . 1 16 16 ALA CB C 13 18.245 0.015 . 1 . . . . . 16 ALA CB . 27961 1 170 . 1 . 1 16 16 ALA N N 15 117.800 0.032 . 1 . . . . . 16 ALA N . 27961 1 171 . 1 . 1 17 17 ARG H H 1 6.789 0.011 . 1 . . . . . 17 ARG H . 27961 1 172 . 1 . 1 17 17 ARG HA H 1 4.255 0.014 . 1 . . . . . 17 ARG HA . 27961 1 173 . 1 . 1 17 17 ARG HB2 H 1 1.650 0.017 . 1 . . . . . 17 ARG HB2 . 27961 1 174 . 1 . 1 17 17 ARG HB3 H 1 1.650 0.017 . 1 . . . . . 17 ARG HB3 . 27961 1 175 . 1 . 1 17 17 ARG HG2 H 1 1.571 0.05 . 1 . . . . . 17 ARG HG2 . 27961 1 176 . 1 . 1 17 17 ARG HG3 H 1 1.571 0.05 . 1 . . . . . 17 ARG HG3 . 27961 1 177 . 1 . 1 17 17 ARG HD2 H 1 3.259 0.012 . 1 . . . . . 17 ARG HD2 . 27961 1 178 . 1 . 1 17 17 ARG HD3 H 1 3.259 0.012 . 1 . . . . . 17 ARG HD3 . 27961 1 179 . 1 . 1 17 17 ARG HE H 1 7.099 0.05 . 1 . . . . . 17 ARG HE . 27961 1 180 . 1 . 1 17 17 ARG C C 13 179.156 0.10 . 1 . . . . . 17 ARG C . 27961 1 181 . 1 . 1 17 17 ARG CA C 13 58.935 0.015 . 1 . . . . . 17 ARG CA . 27961 1 182 . 1 . 1 17 17 ARG CB C 13 30.247 0.015 . 1 . . . . . 17 ARG CB . 27961 1 183 . 1 . 1 17 17 ARG CG C 13 29.177 0.015 . 1 . . . . . 17 ARG CG . 27961 1 184 . 1 . 1 17 17 ARG CD C 13 44.236 0.015 . 1 . . . . . 17 ARG CD . 27961 1 185 . 1 . 1 17 17 ARG N N 15 116.067 0.029 . 1 . . . . . 17 ARG N . 27961 1 186 . 1 . 1 17 17 ARG NE N 15 85.951 0.05 . 1 . . . . . 17 ARG NE . 27961 1 187 . 1 . 1 18 18 LEU H H 1 7.644 0.014 . 1 . . . . . 18 LEU H . 27961 1 188 . 1 . 1 18 18 LEU HA H 1 3.862 0.015 . 1 . . . . . 18 LEU HA . 27961 1 189 . 1 . 1 18 18 LEU HB2 H 1 1.611 0.029 . 1 . . . . . 18 LEU HB2 . 27961 1 190 . 1 . 1 18 18 LEU HB3 H 1 1.611 0.029 . 1 . . . . . 18 LEU HB3 . 27961 1 191 . 1 . 1 18 18 LEU HG H 1 1.536 0.05 . 1 . . . . . 18 LEU HG . 27961 1 192 . 1 . 1 18 18 LEU HD11 H 1 0.849 0.022 . 1 . . . . . 18 LEU MD1 . 27961 1 193 . 1 . 1 18 18 LEU HD12 H 1 0.849 0.022 . 1 . . . . . 18 LEU MD1 . 27961 1 194 . 1 . 1 18 18 LEU HD13 H 1 0.849 0.022 . 1 . . . . . 18 LEU MD1 . 27961 1 195 . 1 . 1 18 18 LEU HD21 H 1 0.849 0.022 . 1 . . . . . 18 LEU MD2 . 27961 1 196 . 1 . 1 18 18 LEU HD22 H 1 0.849 0.022 . 1 . . . . . 18 LEU MD2 . 27961 1 197 . 1 . 1 18 18 LEU HD23 H 1 0.849 0.022 . 1 . . . . . 18 LEU MD2 . 27961 1 198 . 1 . 1 18 18 LEU C C 13 177.934 0.10 . 1 . . . . . 18 LEU C . 27961 1 199 . 1 . 1 18 18 LEU CA C 13 57.057 0.015 . 1 . . . . . 18 LEU CA . 27961 1 200 . 1 . 1 18 18 LEU CB C 13 42.646 0.015 . 1 . . . . . 18 LEU CB . 27961 1 201 . 1 . 1 18 18 LEU CG C 13 26.851 0.015 . 1 . . . . . 18 LEU CG . 27961 1 202 . 1 . 1 18 18 LEU CD1 C 13 23.953 0.024 . 1 . . . . . 18 LEU CD1 . 27961 1 203 . 1 . 1 18 18 LEU CD2 C 13 23.953 0.024 . 1 . . . . . 18 LEU CD2 . 27961 1 204 . 1 . 1 18 18 LEU N N 15 120.924 0.033 . 1 . . . . . 18 LEU N . 27961 1 205 . 1 . 1 19 19 PHE H H 1 9.144 0.010 . 1 . . . . . 19 PHE H . 27961 1 206 . 1 . 1 19 19 PHE HA H 1 3.895 0.012 . 1 . . . . . 19 PHE HA . 27961 1 207 . 1 . 1 19 19 PHE HB2 H 1 3.283 0.022 . 2 . . . . . 19 PHE HB2 . 27961 1 208 . 1 . 1 19 19 PHE HB3 H 1 2.986 0.021 . 2 . . . . . 19 PHE HB3 . 27961 1 209 . 1 . 1 19 19 PHE HD1 H 1 7.281 0.010 . 3 . . . . . 19 PHE HD1 . 27961 1 210 . 1 . 1 19 19 PHE HD2 H 1 7.281 0.010 . 3 . . . . . 19 PHE HD2 . 27961 1 211 . 1 . 1 19 19 PHE HE1 H 1 6.907 0.004 . 3 . . . . . 19 PHE HE1 . 27961 1 212 . 1 . 1 19 19 PHE HE2 H 1 6.907 0.004 . 3 . . . . . 19 PHE HE2 . 27961 1 213 . 1 . 1 19 19 PHE C C 13 178.005 0.10 . 1 . . . . . 19 PHE C . 27961 1 214 . 1 . 1 19 19 PHE CA C 13 62.880 0.015 . 1 . . . . . 19 PHE CA . 27961 1 215 . 1 . 1 19 19 PHE CB C 13 40.010 0.015 . 1 . . . . . 19 PHE CB . 27961 1 216 . 1 . 1 19 19 PHE CD1 C 13 132.135 0.004 . 1 . . . . . 19 PHE CD1 . 27961 1 217 . 1 . 1 19 19 PHE CD2 C 13 132.135 0.004 . 1 . . . . . 19 PHE CD2 . 27961 1 218 . 1 . 1 19 19 PHE CE1 C 13 132.773 0.004 . 1 . . . . . 19 PHE CE1 . 27961 1 219 . 1 . 1 19 19 PHE CE2 C 13 132.773 0.004 . 1 . . . . . 19 PHE CE2 . 27961 1 220 . 1 . 1 19 19 PHE N N 15 120.020 0.018 . 1 . . . . . 19 PHE N . 27961 1 221 . 1 . 1 20 20 LYS H H 1 7.919 0.010 . 1 . . . . . 20 LYS H . 27961 1 222 . 1 . 1 20 20 LYS HA H 1 3.871 0.021 . 1 . . . . . 20 LYS HA . 27961 1 223 . 1 . 1 20 20 LYS HB2 H 1 2.028 0.017 . 1 . . . . . 20 LYS HB2 . 27961 1 224 . 1 . 1 20 20 LYS HB3 H 1 2.028 0.017 . 1 . . . . . 20 LYS HB3 . 27961 1 225 . 1 . 1 20 20 LYS HG2 H 1 1.802 0.05 . 1 . . . . . 20 LYS HG2 . 27961 1 226 . 1 . 1 20 20 LYS HG3 H 1 1.802 0.05 . 1 . . . . . 20 LYS HG3 . 27961 1 227 . 1 . 1 20 20 LYS HD2 H 1 2.066 0.012 . 2 . . . . . 20 LYS HD2 . 27961 1 228 . 1 . 1 20 20 LYS HD3 H 1 1.802 0.008 . 2 . . . . . 20 LYS HD3 . 27961 1 229 . 1 . 1 20 20 LYS HE2 H 1 3.014 0.004 . 1 . . . . . 20 LYS HE2 . 27961 1 230 . 1 . 1 20 20 LYS HE3 H 1 3.014 0.004 . 1 . . . . . 20 LYS HE3 . 27961 1 231 . 1 . 1 20 20 LYS C C 13 174.981 0.10 . 1 . . . . . 20 LYS C . 27961 1 232 . 1 . 1 20 20 LYS CA C 13 59.525 0.015 . 1 . . . . . 20 LYS CA . 27961 1 233 . 1 . 1 20 20 LYS CB C 13 33.595 0.015 . 1 . . . . . 20 LYS CB . 27961 1 234 . 1 . 1 20 20 LYS CG C 13 25.986 0.015 . 1 . . . . . 20 LYS CG . 27961 1 235 . 1 . 1 20 20 LYS CD C 13 29.668 0.015 . 1 . . . . . 20 LYS CD . 27961 1 236 . 1 . 1 20 20 LYS CE C 13 41.810 0.015 . 1 . . . . . 20 LYS CE . 27961 1 237 . 1 . 1 20 20 LYS N N 15 116.187 0.021 . 1 . . . . . 20 LYS N . 27961 1 238 . 1 . 1 21 21 SER H H 1 7.026 0.012 . 1 . . . . . 21 SER H . 27961 1 239 . 1 . 1 21 21 SER HA H 1 3.407 0.015 . 1 . . . . . 21 SER HA . 27961 1 240 . 1 . 1 21 21 SER HB2 H 1 3.416 0.023 . 2 . . . . . 21 SER HB2 . 27961 1 241 . 1 . 1 21 21 SER HB3 H 1 3.416 0.016 . 2 . . . . . 21 SER HB3 . 27961 1 242 . 1 . 1 21 21 SER C C 13 173.303 0.10 . 1 . . . . . 21 SER C . 27961 1 243 . 1 . 1 21 21 SER CA C 13 57.770 0.015 . 1 . . . . . 21 SER CA . 27961 1 244 . 1 . 1 21 21 SER CB C 13 62.396 0.015 . 1 . . . . . 21 SER CB . 27961 1 245 . 1 . 1 21 21 SER N N 15 110.283 0.039 . 1 . . . . . 21 SER N . 27961 1 246 . 1 . 1 22 22 PHE H H 1 8.336 0.010 . 1 . . . . . 22 PHE H . 27961 1 247 . 1 . 1 22 22 PHE HA H 1 4.142 0.005 . 1 . . . . . 22 PHE HA . 27961 1 248 . 1 . 1 22 22 PHE HB2 H 1 2.969 0.018 . 1 . . . . . 22 PHE HB2 . 27961 1 249 . 1 . 1 22 22 PHE HB3 H 1 2.969 0.018 . 1 . . . . . 22 PHE HB3 . 27961 1 250 . 1 . 1 22 22 PHE HD1 H 1 6.882 0.001 . 3 . . . . . 22 PHE HD1 . 27961 1 251 . 1 . 1 22 22 PHE HD2 H 1 6.882 0.001 . 3 . . . . . 22 PHE HD2 . 27961 1 252 . 1 . 1 22 22 PHE C C 13 173.231 0.10 . 1 . . . . . 22 PHE C . 27961 1 253 . 1 . 1 22 22 PHE CA C 13 59.644 0.015 . 1 . . . . . 22 PHE CA . 27961 1 254 . 1 . 1 22 22 PHE CB C 13 40.299 0.015 . 1 . . . . . 22 PHE CB . 27961 1 255 . 1 . 1 22 22 PHE CD1 C 13 131.132 0.004 . 1 . . . . . 22 PHE CD1 . 27961 1 256 . 1 . 1 22 22 PHE CD2 C 13 131.132 0.004 . 1 . . . . . 22 PHE CD2 . 27961 1 257 . 1 . 1 22 22 PHE N N 15 120.005 0.029 . 1 . . . . . 22 PHE N . 27961 1 258 . 1 . 1 23 23 VAL H H 1 6.583 0.013 . 1 . . . . . 23 VAL H . 27961 1 259 . 1 . 1 23 23 VAL HA H 1 3.382 0.013 . 1 . . . . . 23 VAL HA . 27961 1 260 . 1 . 1 23 23 VAL HB H 1 2.136 0.009 . 1 . . . . . 23 VAL HB . 27961 1 261 . 1 . 1 23 23 VAL HG11 H 1 0.508 0.013 . 2 . . . . . 23 VAL MG1 . 27961 1 262 . 1 . 1 23 23 VAL HG12 H 1 0.508 0.013 . 2 . . . . . 23 VAL MG1 . 27961 1 263 . 1 . 1 23 23 VAL HG13 H 1 0.508 0.013 . 2 . . . . . 23 VAL MG1 . 27961 1 264 . 1 . 1 23 23 VAL HG21 H 1 -0.378 0.017 . 2 . . . . . 23 VAL MG2 . 27961 1 265 . 1 . 1 23 23 VAL HG22 H 1 -0.378 0.017 . 2 . . . . . 23 VAL MG2 . 27961 1 266 . 1 . 1 23 23 VAL HG23 H 1 -0.378 0.017 . 2 . . . . . 23 VAL MG2 . 27961 1 267 . 1 . 1 23 23 VAL C C 13 178.352 0.10 . 1 . . . . . 23 VAL C . 27961 1 268 . 1 . 1 23 23 VAL CA C 13 63.554 0.015 . 1 . . . . . 23 VAL CA . 27961 1 269 . 1 . 1 23 23 VAL CB C 13 30.273 0.015 . 1 . . . . . 23 VAL CB . 27961 1 270 . 1 . 1 23 23 VAL CG1 C 13 21.398 0.010 . 2 . . . . . 23 VAL CG1 . 27961 1 271 . 1 . 1 23 23 VAL CG2 C 13 19.772 0.015 . 2 . . . . . 23 VAL CG2 . 27961 1 272 . 1 . 1 23 23 VAL N N 15 109.662 0.054 . 1 . . . . . 23 VAL N . 27961 1 273 . 1 . 1 24 24 LEU H H 1 7.618 0.009 . 1 . . . . . 24 LEU H . 27961 1 274 . 1 . 1 24 24 LEU HA H 1 3.768 0.013 . 1 . . . . . 24 LEU HA . 27961 1 275 . 1 . 1 24 24 LEU HB2 H 1 2.013 0.010 . 2 . . . . . 24 LEU HB2 . 27961 1 276 . 1 . 1 24 24 LEU HB3 H 1 1.501 0.017 . 2 . . . . . 24 LEU HB3 . 27961 1 277 . 1 . 1 24 24 LEU HG H 1 1.116 0.023 . 1 . . . . . 24 LEU HG . 27961 1 278 . 1 . 1 24 24 LEU HD11 H 1 1.096 0.015 . 2 . . . . . 24 LEU MD1 . 27961 1 279 . 1 . 1 24 24 LEU HD12 H 1 1.096 0.015 . 2 . . . . . 24 LEU MD1 . 27961 1 280 . 1 . 1 24 24 LEU HD13 H 1 1.096 0.015 . 2 . . . . . 24 LEU MD1 . 27961 1 281 . 1 . 1 24 24 LEU HD21 H 1 0.691 0.021 . 2 . . . . . 24 LEU MD2 . 27961 1 282 . 1 . 1 24 24 LEU HD22 H 1 0.691 0.021 . 2 . . . . . 24 LEU MD2 . 27961 1 283 . 1 . 1 24 24 LEU HD23 H 1 0.691 0.021 . 2 . . . . . 24 LEU MD2 . 27961 1 284 . 1 . 1 24 24 LEU C C 13 177.825 0.10 . 1 . . . . . 24 LEU C . 27961 1 285 . 1 . 1 24 24 LEU CA C 13 57.316 0.015 . 1 . . . . . 24 LEU CA . 27961 1 286 . 1 . 1 24 24 LEU CB C 13 40.491 0.015 . 1 . . . . . 24 LEU CB . 27961 1 287 . 1 . 1 24 24 LEU CG C 13 25.965 0.015 . 1 . . . . . 24 LEU CG . 27961 1 288 . 1 . 1 24 24 LEU CD1 C 13 21.751 0.075 . 2 . . . . . 24 LEU CD1 . 27961 1 289 . 1 . 1 24 24 LEU CD2 C 13 21.826 0.015 . 2 . . . . . 24 LEU CD2 . 27961 1 290 . 1 . 1 24 24 LEU N N 15 114.600 0.046 . 1 . . . . . 24 LEU N . 27961 1 291 . 1 . 1 25 25 ASP H H 1 7.168 0.008 . 1 . . . . . 25 ASP H . 27961 1 292 . 1 . 1 25 25 ASP HA H 1 5.517 0.009 . 1 . . . . . 25 ASP HA . 27961 1 293 . 1 . 1 25 25 ASP HB2 H 1 2.880 0.021 . 2 . . . . . 25 ASP HB2 . 27961 1 294 . 1 . 1 25 25 ASP HB3 H 1 2.669 0.019 . 2 . . . . . 25 ASP HB3 . 27961 1 295 . 1 . 1 25 25 ASP C C 13 177.014 0.10 . 1 . . . . . 25 ASP C . 27961 1 296 . 1 . 1 25 25 ASP CA C 13 52.622 0.015 . 1 . . . . . 25 ASP CA . 27961 1 297 . 1 . 1 25 25 ASP CB C 13 43.426 0.015 . 1 . . . . . 25 ASP CB . 27961 1 298 . 1 . 1 25 25 ASP N N 15 117.807 0.047 . 1 . . . . . 25 ASP N . 27961 1 299 . 1 . 1 26 26 ALA H H 1 6.563 0.010 . 1 . . . . . 26 ALA H . 27961 1 300 . 1 . 1 26 26 ALA HA H 1 3.514 0.010 . 1 . . . . . 26 ALA HA . 27961 1 301 . 1 . 1 26 26 ALA HB1 H 1 1.259 0.013 . 1 . . . . . 26 ALA MB . 27961 1 302 . 1 . 1 26 26 ALA HB2 H 1 1.259 0.013 . 1 . . . . . 26 ALA MB . 27961 1 303 . 1 . 1 26 26 ALA HB3 H 1 1.259 0.013 . 1 . . . . . 26 ALA MB . 27961 1 304 . 1 . 1 26 26 ALA C C 13 178.315 0.10 . 1 . . . . . 26 ALA C . 27961 1 305 . 1 . 1 26 26 ALA CA C 13 56.348 0.015 . 1 . . . . . 26 ALA CA . 27961 1 306 . 1 . 1 26 26 ALA CB C 13 19.023 0.016 . 1 . . . . . 26 ALA CB . 27961 1 307 . 1 . 1 26 26 ALA N N 15 123.119 0.029 . 1 . . . . . 26 ALA N . 27961 1 308 . 1 . 1 27 27 ASP H H 1 8.149 0.004 . 1 . . . . . 27 ASP H . 27961 1 309 . 1 . 1 27 27 ASP HA H 1 4.010 0.016 . 1 . . . . . 27 ASP HA . 27961 1 310 . 1 . 1 27 27 ASP HB2 H 1 2.450 0.011 . 1 . . . . . 27 ASP HB2 . 27961 1 311 . 1 . 1 27 27 ASP HB3 H 1 2.450 0.011 . 1 . . . . . 27 ASP HB3 . 27961 1 312 . 1 . 1 27 27 ASP C C 13 176.319 0.10 . 1 . . . . . 27 ASP C . 27961 1 313 . 1 . 1 27 27 ASP CA C 13 56.907 0.015 . 1 . . . . . 27 ASP CA . 27961 1 314 . 1 . 1 27 27 ASP CB C 13 40.069 0.015 . 1 . . . . . 27 ASP CB . 27961 1 315 . 1 . 1 27 27 ASP N N 15 113.464 0.036 . 1 . . . . . 27 ASP N . 27961 1 316 . 1 . 1 28 28 ASN H H 1 7.154 0.012 . 1 . . . . . 28 ASN H . 27961 1 317 . 1 . 1 28 28 ASN HA H 1 4.708 0.020 . 1 . . . . . 28 ASN HA . 27961 1 318 . 1 . 1 28 28 ASN HB2 H 1 2.666 0.019 . 1 . . . . . 28 ASN HB2 . 27961 1 319 . 1 . 1 28 28 ASN HB3 H 1 2.666 0.019 . 1 . . . . . 28 ASN HB3 . 27961 1 320 . 1 . 1 28 28 ASN HD21 H 1 7.000 0.008 . 2 . . . . . 28 ASN HD21 . 27961 1 321 . 1 . 1 28 28 ASN HD22 H 1 8.410 0.010 . 2 . . . . . 28 ASN HD22 . 27961 1 322 . 1 . 1 28 28 ASN C C 13 176.691 0.10 . 1 . . . . . 28 ASN C . 27961 1 323 . 1 . 1 28 28 ASN CA C 13 53.681 0.015 . 1 . . . . . 28 ASN CA . 27961 1 324 . 1 . 1 28 28 ASN CB C 13 40.504 0.015 . 1 . . . . . 28 ASN CB . 27961 1 325 . 1 . 1 28 28 ASN CG C 13 176.436 0.10 . 1 . . . . . 28 ASN CG . 27961 1 326 . 1 . 1 28 28 ASN N N 15 111.765 0.042 . 1 . . . . . 28 ASN N . 27961 1 327 . 1 . 1 28 28 ASN ND2 N 15 116.657 0.027 . 1 . . . . . 28 ASN ND2 . 27961 1 328 . 1 . 1 29 29 LEU H H 1 8.456 0.011 . 1 . . . . . 29 LEU H . 27961 1 329 . 1 . 1 29 29 LEU HA H 1 3.994 0.027 . 1 . . . . . 29 LEU HA . 27961 1 330 . 1 . 1 29 29 LEU HB2 H 1 1.499 0.015 . 2 . . . . . 29 LEU HB2 . 27961 1 331 . 1 . 1 29 29 LEU HB3 H 1 1.290 0.021 . 2 . . . . . 29 LEU HB3 . 27961 1 332 . 1 . 1 29 29 LEU HG H 1 1.026 0.009 . 1 . . . . . 29 LEU HG . 27961 1 333 . 1 . 1 29 29 LEU HD11 H 1 1.024 0.013 . 1 . . . . . 29 LEU MD1 . 27961 1 334 . 1 . 1 29 29 LEU HD12 H 1 1.024 0.013 . 1 . . . . . 29 LEU MD1 . 27961 1 335 . 1 . 1 29 29 LEU HD13 H 1 1.024 0.013 . 1 . . . . . 29 LEU MD1 . 27961 1 336 . 1 . 1 29 29 LEU HD21 H 1 1.024 0.013 . 1 . . . . . 29 LEU MD2 . 27961 1 337 . 1 . 1 29 29 LEU HD22 H 1 1.024 0.013 . 1 . . . . . 29 LEU MD2 . 27961 1 338 . 1 . 1 29 29 LEU HD23 H 1 1.024 0.013 . 1 . . . . . 29 LEU MD2 . 27961 1 339 . 1 . 1 29 29 LEU C C 13 178.104 0.10 . 1 . . . . . 29 LEU C . 27961 1 340 . 1 . 1 29 29 LEU CA C 13 57.278 0.018 . 1 . . . . . 29 LEU CA . 27961 1 341 . 1 . 1 29 29 LEU CB C 13 43.215 0.015 . 1 . . . . . 29 LEU CB . 27961 1 342 . 1 . 1 29 29 LEU CG C 13 26.323 0.015 . 1 . . . . . 29 LEU CG . 27961 1 343 . 1 . 1 29 29 LEU CD1 C 13 22.531 0.015 . 1 . . . . . 29 LEU CD1 . 27961 1 344 . 1 . 1 29 29 LEU CD2 C 13 22.531 0.015 . 1 . . . . . 29 LEU CD2 . 27961 1 345 . 1 . 1 29 29 LEU N N 15 120.930 0.036 . 1 . . . . . 29 LEU N . 27961 1 346 . 1 . 1 30 30 ILE H H 1 8.281 0.013 . 1 . . . . . 30 ILE H . 27961 1 347 . 1 . 1 30 30 ILE HA H 1 3.441 0.035 . 1 . . . . . 30 ILE HA . 27961 1 348 . 1 . 1 30 30 ILE HB H 1 1.650 0.016 . 1 . . . . . 30 ILE HB . 27961 1 349 . 1 . 1 30 30 ILE HG21 H 1 0.594 0.05 . 1 . . . . . 30 ILE MG . 27961 1 350 . 1 . 1 30 30 ILE HG22 H 1 0.594 0.05 . 1 . . . . . 30 ILE MG . 27961 1 351 . 1 . 1 30 30 ILE HG23 H 1 0.594 0.05 . 1 . . . . . 30 ILE MG . 27961 1 352 . 1 . 1 30 30 ILE HD11 H 1 0.595 0.001 . 1 . . . . . 30 ILE MD . 27961 1 353 . 1 . 1 30 30 ILE HD12 H 1 0.595 0.001 . 1 . . . . . 30 ILE MD . 27961 1 354 . 1 . 1 30 30 ILE HD13 H 1 0.595 0.001 . 1 . . . . . 30 ILE MD . 27961 1 355 . 1 . 1 30 30 ILE C C 13 175.028 0.10 . 1 . . . . . 30 ILE C . 27961 1 356 . 1 . 1 30 30 ILE CA C 13 66.496 0.015 . 1 . . . . . 30 ILE CA . 27961 1 357 . 1 . 1 30 30 ILE CB C 13 33.457 0.015 . 1 . . . . . 30 ILE CB . 27961 1 358 . 1 . 1 30 30 ILE CD1 C 13 12.023 0.015 . 1 . . . . . 30 ILE CD1 . 27961 1 359 . 1 . 1 30 30 ILE N N 15 118.051 0.030 . 1 . . . . . 30 ILE N . 27961 1 360 . 1 . 1 31 31 PRO HA H 1 4.267 0.012 . 1 . . . . . 31 PRO HA . 27961 1 361 . 1 . 1 31 31 PRO HB2 H 1 2.356 0.025 . 1 . . . . . 31 PRO HB2 . 27961 1 362 . 1 . 1 31 31 PRO HB3 H 1 2.356 0.025 . 1 . . . . . 31 PRO HB3 . 27961 1 363 . 1 . 1 31 31 PRO HG2 H 1 2.027 0.011 . 1 . . . . . 31 PRO HG2 . 27961 1 364 . 1 . 1 31 31 PRO HG3 H 1 2.027 0.011 . 1 . . . . . 31 PRO HG3 . 27961 1 365 . 1 . 1 31 31 PRO HD2 H 1 4.265 0.015 . 1 . . . . . 31 PRO HD2 . 27961 1 366 . 1 . 1 31 31 PRO HD3 H 1 4.265 0.015 . 1 . . . . . 31 PRO HD3 . 27961 1 367 . 1 . 1 31 31 PRO C C 13 177.283 0.10 . 1 . . . . . 31 PRO C . 27961 1 368 . 1 . 1 31 31 PRO CA C 13 65.614 0.015 . 1 . . . . . 31 PRO CA . 27961 1 369 . 1 . 1 31 31 PRO CB C 13 31.617 0.015 . 1 . . . . . 31 PRO CB . 27961 1 370 . 1 . 1 31 31 PRO CG C 13 28.103 0.015 . 1 . . . . . 31 PRO CG . 27961 1 371 . 1 . 1 31 31 PRO CD C 13 50.066 0.015 . 1 . . . . . 31 PRO CD . 27961 1 372 . 1 . 1 32 32 LYS H H 1 6.720 0.008 . 1 . . . . . 32 LYS H . 27961 1 373 . 1 . 1 32 32 LYS HA H 1 4.145 0.004 . 1 . . . . . 32 LYS HA . 27961 1 374 . 1 . 1 32 32 LYS HB2 H 1 1.786 0.013 . 1 . . . . . 32 LYS HB2 . 27961 1 375 . 1 . 1 32 32 LYS HB3 H 1 1.786 0.013 . 1 . . . . . 32 LYS HB3 . 27961 1 376 . 1 . 1 32 32 LYS HG2 H 1 1.289 0.022 . 1 . . . . . 32 LYS HG2 . 27961 1 377 . 1 . 1 32 32 LYS HG3 H 1 1.289 0.022 . 1 . . . . . 32 LYS HG3 . 27961 1 378 . 1 . 1 32 32 LYS HD2 H 1 1.542 0.017 . 1 . . . . . 32 LYS HD2 . 27961 1 379 . 1 . 1 32 32 LYS HD3 H 1 1.542 0.017 . 1 . . . . . 32 LYS HD3 . 27961 1 380 . 1 . 1 32 32 LYS HE2 H 1 2.908 0.010 . 1 . . . . . 32 LYS HE2 . 27961 1 381 . 1 . 1 32 32 LYS HE3 H 1 2.908 0.010 . 1 . . . . . 32 LYS HE3 . 27961 1 382 . 1 . 1 32 32 LYS C C 13 178.137 0.10 . 1 . . . . . 32 LYS C . 27961 1 383 . 1 . 1 32 32 LYS CA C 13 58.009 0.015 . 1 . . . . . 32 LYS CA . 27961 1 384 . 1 . 1 32 32 LYS CB C 13 33.162 0.015 . 1 . . . . . 32 LYS CB . 27961 1 385 . 1 . 1 32 32 LYS CG C 13 24.807 0.015 . 1 . . . . . 32 LYS CG . 27961 1 386 . 1 . 1 32 32 LYS CD C 13 29.194 0.015 . 1 . . . . . 32 LYS CD . 27961 1 387 . 1 . 1 32 32 LYS CE C 13 41.887 0.015 . 1 . . . . . 32 LYS CE . 27961 1 388 . 1 . 1 32 32 LYS N N 15 111.785 0.041 . 1 . . . . . 32 LYS N . 27961 1 389 . 1 . 1 33 33 VAL H H 1 7.640 0.009 . 1 . . . . . 33 VAL H . 27961 1 390 . 1 . 1 33 33 VAL HA H 1 4.259 0.017 . 1 . . . . . 33 VAL HA . 27961 1 391 . 1 . 1 33 33 VAL HB H 1 2.018 0.011 . 1 . . . . . 33 VAL HB . 27961 1 392 . 1 . 1 33 33 VAL HG11 H 1 0.630 0.014 . 2 . . . . . 33 VAL MG1 . 27961 1 393 . 1 . 1 33 33 VAL HG12 H 1 0.630 0.014 . 2 . . . . . 33 VAL MG1 . 27961 1 394 . 1 . 1 33 33 VAL HG13 H 1 0.630 0.014 . 2 . . . . . 33 VAL MG1 . 27961 1 395 . 1 . 1 33 33 VAL HG21 H 1 0.628 0.015 . 2 . . . . . 33 VAL MG2 . 27961 1 396 . 1 . 1 33 33 VAL HG22 H 1 0.628 0.015 . 2 . . . . . 33 VAL MG2 . 27961 1 397 . 1 . 1 33 33 VAL HG23 H 1 0.628 0.015 . 2 . . . . . 33 VAL MG2 . 27961 1 398 . 1 . 1 33 33 VAL C C 13 175.713 0.10 . 1 . . . . . 33 VAL C . 27961 1 399 . 1 . 1 33 33 VAL CA C 13 61.737 0.015 . 1 . . . . . 33 VAL CA . 27961 1 400 . 1 . 1 33 33 VAL CB C 13 33.293 0.015 . 1 . . . . . 33 VAL CB . 27961 1 401 . 1 . 1 33 33 VAL CG1 C 13 20.007 0.021 . 2 . . . . . 33 VAL CG1 . 27961 1 402 . 1 . 1 33 33 VAL CG2 C 13 22.001 0.053 . 2 . . . . . 33 VAL CG2 . 27961 1 403 . 1 . 1 33 33 VAL N N 15 112.394 0.058 . 1 . . . . . 33 VAL N . 27961 1 404 . 1 . 1 34 34 ALA H H 1 9.110 0.012 . 1 . . . . . 34 ALA H . 27961 1 405 . 1 . 1 34 34 ALA HA H 1 4.911 0.013 . 1 . . . . . 34 ALA HA . 27961 1 406 . 1 . 1 34 34 ALA HB1 H 1 1.172 0.029 . 1 . . . . . 34 ALA MB . 27961 1 407 . 1 . 1 34 34 ALA HB2 H 1 1.172 0.029 . 1 . . . . . 34 ALA MB . 27961 1 408 . 1 . 1 34 34 ALA HB3 H 1 1.172 0.029 . 1 . . . . . 34 ALA MB . 27961 1 409 . 1 . 1 34 34 ALA C C 13 173.168 0.10 . 1 . . . . . 34 ALA C . 27961 1 410 . 1 . 1 34 34 ALA CA C 13 50.688 0.015 . 1 . . . . . 34 ALA CA . 27961 1 411 . 1 . 1 34 34 ALA CB C 13 19.300 0.015 . 1 . . . . . 34 ALA CB . 27961 1 412 . 1 . 1 34 34 ALA N N 15 125.333 0.015 . 1 . . . . . 34 ALA N . 27961 1 413 . 1 . 1 35 35 PRO HA H 1 4.588 0.05 . 1 . . . . . 35 PRO HA . 27961 1 414 . 1 . 1 35 35 PRO HB2 H 1 1.989 0.019 . 1 . . . . . 35 PRO HB2 . 27961 1 415 . 1 . 1 35 35 PRO HB3 H 1 1.989 0.019 . 1 . . . . . 35 PRO HB3 . 27961 1 416 . 1 . 1 35 35 PRO HG2 H 1 1.994 0.018 . 1 . . . . . 35 PRO HG2 . 27961 1 417 . 1 . 1 35 35 PRO HG3 H 1 1.994 0.018 . 1 . . . . . 35 PRO HG3 . 27961 1 418 . 1 . 1 35 35 PRO HD2 H 1 3.768 0.015 . 1 . . . . . 35 PRO HD2 . 27961 1 419 . 1 . 1 35 35 PRO HD3 H 1 3.768 0.015 . 1 . . . . . 35 PRO HD3 . 27961 1 420 . 1 . 1 35 35 PRO C C 13 177.205 0.10 . 1 . . . . . 35 PRO C . 27961 1 421 . 1 . 1 35 35 PRO CA C 13 64.192 0.015 . 1 . . . . . 35 PRO CA . 27961 1 422 . 1 . 1 35 35 PRO CB C 13 31.178 0.015 . 1 . . . . . 35 PRO CB . 27961 1 423 . 1 . 1 35 35 PRO CG C 13 27.031 0.015 . 1 . . . . . 35 PRO CG . 27961 1 424 . 1 . 1 35 35 PRO CD C 13 50.151 0.015 . 1 . . . . . 35 PRO CD . 27961 1 425 . 1 . 1 36 36 GLN H H 1 8.968 0.009 . 1 . . . . . 36 GLN H . 27961 1 426 . 1 . 1 36 36 GLN HA H 1 4.160 0.013 . 1 . . . . . 36 GLN HA . 27961 1 427 . 1 . 1 36 36 GLN HB2 H 1 2.010 0.011 . 1 . . . . . 36 GLN HB2 . 27961 1 428 . 1 . 1 36 36 GLN HB3 H 1 2.010 0.011 . 1 . . . . . 36 GLN HB3 . 27961 1 429 . 1 . 1 36 36 GLN HG2 H 1 2.014 0.008 . 2 . . . . . 36 GLN HG2 . 27961 1 430 . 1 . 1 36 36 GLN HG3 H 1 2.396 0.011 . 2 . . . . . 36 GLN HG3 . 27961 1 431 . 1 . 1 36 36 GLN HE21 H 1 7.115 0.010 . 2 . . . . . 36 GLN HE21 . 27961 1 432 . 1 . 1 36 36 GLN HE22 H 1 7.518 0.005 . 2 . . . . . 36 GLN HE22 . 27961 1 433 . 1 . 1 36 36 GLN C C 13 176.721 0.10 . 1 . . . . . 36 GLN C . 27961 1 434 . 1 . 1 36 36 GLN CA C 13 57.505 0.015 . 1 . . . . . 36 GLN CA . 27961 1 435 . 1 . 1 36 36 GLN CB C 13 26.734 0.015 . 1 . . . . . 36 GLN CB . 27961 1 436 . 1 . 1 36 36 GLN CG C 13 32.979 0.015 . 1 . . . . . 36 GLN CG . 27961 1 437 . 1 . 1 36 36 GLN CD C 13 181.237 0.10 . 1 . . . . . 36 GLN CD . 27961 1 438 . 1 . 1 36 36 GLN N N 15 118.047 0.001 . 1 . . . . . 36 GLN N . 27961 1 439 . 1 . 1 36 36 GLN NE2 N 15 111.680 0.027 . 1 . . . . . 36 GLN NE2 . 27961 1 440 . 1 . 1 37 37 HIS H H 1 8.323 0.008 . 1 . . . . . 37 HIS H . 27961 1 441 . 1 . 1 37 37 HIS HA H 1 4.545 0.014 . 1 . . . . . 37 HIS HA . 27961 1 442 . 1 . 1 37 37 HIS HB2 H 1 2.913 0.013 . 1 . . . . . 37 HIS HB2 . 27961 1 443 . 1 . 1 37 37 HIS HB3 H 1 2.913 0.013 . 1 . . . . . 37 HIS HB3 . 27961 1 444 . 1 . 1 37 37 HIS HD2 H 1 6.793 0.013 . 1 . . . . . 37 HIS HD2 . 27961 1 445 . 1 . 1 37 37 HIS C C 13 175.869 0.10 . 1 . . . . . 37 HIS C . 27961 1 446 . 1 . 1 37 37 HIS CA C 13 58.992 0.015 . 1 . . . . . 37 HIS CA . 27961 1 447 . 1 . 1 37 37 HIS CB C 13 31.620 0.015 . 1 . . . . . 37 HIS CB . 27961 1 448 . 1 . 1 37 37 HIS CD2 C 13 118.997 0.10 . 1 . . . . . 37 HIS CD2 . 27961 1 449 . 1 . 1 37 37 HIS N N 15 122.185 0.022 . 1 . . . . . 37 HIS N . 27961 1 450 . 1 . 1 38 38 PHE H H 1 7.067 0.015 . 1 . . . . . 38 PHE H . 27961 1 451 . 1 . 1 38 38 PHE CA C 13 58.432 0.015 . 1 . . . . . 38 PHE CA . 27961 1 452 . 1 . 1 38 38 PHE CB C 13 40.783 0.015 . 1 . . . . . 38 PHE CB . 27961 1 453 . 1 . 1 38 38 PHE N N 15 112.601 0.05 . 1 . . . . . 38 PHE N . 27961 1 454 . 1 . 1 39 39 THR HA H 1 4.535 0.020 . 1 . . . . . 39 THR HA . 27961 1 455 . 1 . 1 39 39 THR HB H 1 4.254 0.016 . 1 . . . . . 39 THR HB . 27961 1 456 . 1 . 1 39 39 THR HG21 H 1 1.271 0.007 . 1 . . . . . 39 THR MG . 27961 1 457 . 1 . 1 39 39 THR HG22 H 1 1.271 0.007 . 1 . . . . . 39 THR MG . 27961 1 458 . 1 . 1 39 39 THR HG23 H 1 1.271 0.007 . 1 . . . . . 39 THR MG . 27961 1 459 . 1 . 1 39 39 THR C C 13 175.913 0.10 . 1 . . . . . 39 THR C . 27961 1 460 . 1 . 1 39 39 THR CA C 13 62.312 0.015 . 1 . . . . . 39 THR CA . 27961 1 461 . 1 . 1 39 39 THR CB C 13 69.621 0.015 . 1 . . . . . 39 THR CB . 27961 1 462 . 1 . 1 39 39 THR CG2 C 13 22.771 0.003 . 1 . . . . . 39 THR CG2 . 27961 1 463 . 1 . 1 40 40 GLY H H 1 7.753 0.013 . 1 . . . . . 40 GLY H . 27961 1 464 . 1 . 1 40 40 GLY HA2 H 1 4.002 0.024 . 2 . . . . . 40 GLY HA2 . 27961 1 465 . 1 . 1 40 40 GLY HA3 H 1 4.272 0.015 . 2 . . . . . 40 GLY HA3 . 27961 1 466 . 1 . 1 40 40 GLY C C 13 170.022 0.10 . 1 . . . . . 40 GLY C . 27961 1 467 . 1 . 1 40 40 GLY CA C 13 45.752 0.015 . 1 . . . . . 40 GLY CA . 27961 1 468 . 1 . 1 40 40 GLY N N 15 109.078 0.039 . 1 . . . . . 40 GLY N . 27961 1 469 . 1 . 1 41 41 ALA H H 1 8.464 0.015 . 1 . . . . . 41 ALA H . 27961 1 470 . 1 . 1 41 41 ALA HA H 1 5.172 0.023 . 1 . . . . . 41 ALA HA . 27961 1 471 . 1 . 1 41 41 ALA HB1 H 1 1.019 0.007 . 1 . . . . . 41 ALA MB . 27961 1 472 . 1 . 1 41 41 ALA HB2 H 1 1.019 0.007 . 1 . . . . . 41 ALA MB . 27961 1 473 . 1 . 1 41 41 ALA HB3 H 1 1.019 0.007 . 1 . . . . . 41 ALA MB . 27961 1 474 . 1 . 1 41 41 ALA C C 13 175.479 0.10 . 1 . . . . . 41 ALA C . 27961 1 475 . 1 . 1 41 41 ALA CA C 13 51.046 0.015 . 1 . . . . . 41 ALA CA . 27961 1 476 . 1 . 1 41 41 ALA CB C 13 23.289 0.002 . 1 . . . . . 41 ALA CB . 27961 1 477 . 1 . 1 41 41 ALA N N 15 123.004 0.011 . 1 . . . . . 41 ALA N . 27961 1 478 . 1 . 1 42 42 GLU H H 1 8.352 0.022 . 1 . . . . . 42 GLU H . 27961 1 479 . 1 . 1 42 42 GLU HA H 1 4.571 0.014 . 1 . . . . . 42 GLU HA . 27961 1 480 . 1 . 1 42 42 GLU HB2 H 1 1.889 0.005 . 1 . . . . . 42 GLU HB2 . 27961 1 481 . 1 . 1 42 42 GLU HB3 H 1 1.889 0.005 . 1 . . . . . 42 GLU HB3 . 27961 1 482 . 1 . 1 42 42 GLU HG2 H 1 2.021 0.006 . 1 . . . . . 42 GLU HG2 . 27961 1 483 . 1 . 1 42 42 GLU HG3 H 1 2.021 0.006 . 1 . . . . . 42 GLU HG3 . 27961 1 484 . 1 . 1 42 42 GLU C C 13 174.868 0.10 . 1 . . . . . 42 GLU C . 27961 1 485 . 1 . 1 42 42 GLU CA C 13 54.283 0.015 . 1 . . . . . 42 GLU CA . 27961 1 486 . 1 . 1 42 42 GLU CB C 13 33.916 0.015 . 1 . . . . . 42 GLU CB . 27961 1 487 . 1 . 1 42 42 GLU CG C 13 35.851 0.015 . 1 . . . . . 42 GLU CG . 27961 1 488 . 1 . 1 42 42 GLU N N 15 119.494 0.015 . 1 . . . . . 42 GLU N . 27961 1 489 . 1 . 1 43 43 ASN H H 1 9.136 0.011 . 1 . . . . . 43 ASN H . 27961 1 490 . 1 . 1 43 43 ASN HA H 1 4.795 0.015 . 1 . . . . . 43 ASN HA . 27961 1 491 . 1 . 1 43 43 ASN HB2 H 1 2.768 0.014 . 2 . . . . . 43 ASN HB2 . 27961 1 492 . 1 . 1 43 43 ASN HB3 H 1 2.442 0.010 . 2 . . . . . 43 ASN HB3 . 27961 1 493 . 1 . 1 43 43 ASN HD21 H 1 6.767 0.003 . 2 . . . . . 43 ASN HD21 . 27961 1 494 . 1 . 1 43 43 ASN HD22 H 1 7.365 0.006 . 2 . . . . . 43 ASN HD22 . 27961 1 495 . 1 . 1 43 43 ASN C C 13 175.135 0.10 . 1 . . . . . 43 ASN C . 27961 1 496 . 1 . 1 43 43 ASN CA C 13 53.240 0.015 . 1 . . . . . 43 ASN CA . 27961 1 497 . 1 . 1 43 43 ASN CB C 13 37.370 0.015 . 1 . . . . . 43 ASN CB . 27961 1 498 . 1 . 1 43 43 ASN CG C 13 174.991 0.10 . 1 . . . . . 43 ASN CG . 27961 1 499 . 1 . 1 43 43 ASN N N 15 123.803 0.023 . 1 . . . . . 43 ASN N . 27961 1 500 . 1 . 1 43 43 ASN ND2 N 15 110.082 0.019 . 1 . . . . . 43 ASN ND2 . 27961 1 501 . 1 . 1 44 44 LEU H H 1 9.325 0.008 . 1 . . . . . 44 LEU H . 27961 1 502 . 1 . 1 44 44 LEU HA H 1 4.368 0.024 . 1 . . . . . 44 LEU HA . 27961 1 503 . 1 . 1 44 44 LEU HB2 H 1 1.637 0.010 . 1 . . . . . 44 LEU HB2 . 27961 1 504 . 1 . 1 44 44 LEU HB3 H 1 1.637 0.010 . 1 . . . . . 44 LEU HB3 . 27961 1 505 . 1 . 1 44 44 LEU HG H 1 1.620 0.011 . 1 . . . . . 44 LEU HG . 27961 1 506 . 1 . 1 44 44 LEU HD11 H 1 0.795 0.028 . 1 . . . . . 44 LEU MD1 . 27961 1 507 . 1 . 1 44 44 LEU HD12 H 1 0.795 0.028 . 1 . . . . . 44 LEU MD1 . 27961 1 508 . 1 . 1 44 44 LEU HD13 H 1 0.795 0.028 . 1 . . . . . 44 LEU MD1 . 27961 1 509 . 1 . 1 44 44 LEU HD21 H 1 0.795 0.028 . 1 . . . . . 44 LEU MD2 . 27961 1 510 . 1 . 1 44 44 LEU HD22 H 1 0.795 0.028 . 1 . . . . . 44 LEU MD2 . 27961 1 511 . 1 . 1 44 44 LEU HD23 H 1 0.795 0.028 . 1 . . . . . 44 LEU MD2 . 27961 1 512 . 1 . 1 44 44 LEU C C 13 177.503 0.10 . 1 . . . . . 44 LEU C . 27961 1 513 . 1 . 1 44 44 LEU CA C 13 56.147 0.015 . 1 . . . . . 44 LEU CA . 27961 1 514 . 1 . 1 44 44 LEU CB C 13 42.616 0.015 . 1 . . . . . 44 LEU CB . 27961 1 515 . 1 . 1 44 44 LEU CG C 13 25.587 0.015 . 1 . . . . . 44 LEU CG . 27961 1 516 . 1 . 1 44 44 LEU CD1 C 13 22.249 0.015 . 1 . . . . . 44 LEU CD1 . 27961 1 517 . 1 . 1 44 44 LEU CD2 C 13 22.249 0.015 . 1 . . . . . 44 LEU CD2 . 27961 1 518 . 1 . 1 44 44 LEU N N 15 127.032 0.014 . 1 . . . . . 44 LEU N . 27961 1 519 . 1 . 1 45 45 GLU H H 1 7.704 0.011 . 1 . . . . . 45 GLU H . 27961 1 520 . 1 . 1 45 45 GLU HA H 1 4.547 0.022 . 1 . . . . . 45 GLU HA . 27961 1 521 . 1 . 1 45 45 GLU HB2 H 1 2.126 0.011 . 1 . . . . . 45 GLU HB2 . 27961 1 522 . 1 . 1 45 45 GLU HB3 H 1 2.126 0.011 . 1 . . . . . 45 GLU HB3 . 27961 1 523 . 1 . 1 45 45 GLU HG2 H 1 2.209 0.006 . 1 . . . . . 45 GLU HG2 . 27961 1 524 . 1 . 1 45 45 GLU HG3 H 1 2.209 0.006 . 1 . . . . . 45 GLU HG3 . 27961 1 525 . 1 . 1 45 45 GLU C C 13 175.505 0.10 . 1 . . . . . 45 GLU C . 27961 1 526 . 1 . 1 45 45 GLU CA C 13 55.716 0.015 . 1 . . . . . 45 GLU CA . 27961 1 527 . 1 . 1 45 45 GLU CB C 13 33.267 0.015 . 1 . . . . . 45 GLU CB . 27961 1 528 . 1 . 1 45 45 GLU CG C 13 36.093 0.015 . 1 . . . . . 45 GLU CG . 27961 1 529 . 1 . 1 45 45 GLU N N 15 116.454 0.026 . 1 . . . . . 45 GLU N . 27961 1 530 . 1 . 1 46 46 GLY H H 1 8.506 0.015 . 1 . . . . . 46 GLY H . 27961 1 531 . 1 . 1 46 46 GLY HA2 H 1 3.764 0.012 . 1 . . . . . 46 GLY HA2 . 27961 1 532 . 1 . 1 46 46 GLY HA3 H 1 3.764 0.012 . 1 . . . . . 46 GLY HA3 . 27961 1 533 . 1 . 1 46 46 GLY C C 13 173.543 0.10 . 1 . . . . . 46 GLY C . 27961 1 534 . 1 . 1 46 46 GLY CA C 13 44.591 0.015 . 1 . . . . . 46 GLY CA . 27961 1 535 . 1 . 1 46 46 GLY N N 15 110.052 0.050 . 1 . . . . . 46 GLY N . 27961 1 536 . 1 . 1 47 47 ASN H H 1 8.314 0.009 . 1 . . . . . 47 ASN H . 27961 1 537 . 1 . 1 47 47 ASN HA H 1 4.972 0.020 . 1 . . . . . 47 ASN HA . 27961 1 538 . 1 . 1 47 47 ASN HB2 H 1 3.014 0.012 . 2 . . . . . 47 ASN HB2 . 27961 1 539 . 1 . 1 47 47 ASN HB3 H 1 2.813 0.010 . 2 . . . . . 47 ASN HB3 . 27961 1 540 . 1 . 1 47 47 ASN HD21 H 1 6.818 0.004 . 2 . . . . . 47 ASN HD21 . 27961 1 541 . 1 . 1 47 47 ASN HD22 H 1 7.581 0.012 . 2 . . . . . 47 ASN HD22 . 27961 1 542 . 1 . 1 47 47 ASN C C 13 175.980 0.10 . 1 . . . . . 47 ASN C . 27961 1 543 . 1 . 1 47 47 ASN CA C 13 52.358 0.015 . 1 . . . . . 47 ASN CA . 27961 1 544 . 1 . 1 47 47 ASN CB C 13 39.598 0.015 . 1 . . . . . 47 ASN CB . 27961 1 545 . 1 . 1 47 47 ASN CG C 13 177.735 0.10 . 1 . . . . . 47 ASN CG . 27961 1 546 . 1 . 1 47 47 ASN N N 15 114.318 0.040 . 1 . . . . . 47 ASN N . 27961 1 547 . 1 . 1 47 47 ASN ND2 N 15 111.444 0.036 . 1 . . . . . 47 ASN ND2 . 27961 1 548 . 1 . 1 48 48 GLY H H 1 8.791 0.015 . 1 . . . . . 48 GLY H . 27961 1 549 . 1 . 1 48 48 GLY HA2 H 1 3.417 0.019 . 1 . . . . . 48 GLY HA2 . 27961 1 550 . 1 . 1 48 48 GLY HA3 H 1 3.417 0.019 . 1 . . . . . 48 GLY HA3 . 27961 1 551 . 1 . 1 48 48 GLY C C 13 174.736 0.10 . 1 . . . . . 48 GLY C . 27961 1 552 . 1 . 1 48 48 GLY CA C 13 45.235 0.015 . 1 . . . . . 48 GLY CA . 27961 1 553 . 1 . 1 48 48 GLY N N 15 110.224 0.027 . 1 . . . . . 48 GLY N . 27961 1 554 . 1 . 1 49 49 GLY H H 1 8.080 0.016 . 1 . . . . . 49 GLY H . 27961 1 555 . 1 . 1 49 49 GLY HA2 H 1 4.004 0.019 . 2 . . . . . 49 GLY HA2 . 27961 1 556 . 1 . 1 49 49 GLY HA3 H 1 3.758 0.013 . 2 . . . . . 49 GLY HA3 . 27961 1 557 . 1 . 1 49 49 GLY C C 13 177.085 0.10 . 1 . . . . . 49 GLY C . 27961 1 558 . 1 . 1 49 49 GLY CA C 13 44.066 0.015 . 1 . . . . . 49 GLY CA . 27961 1 559 . 1 . 1 49 49 GLY N N 15 105.956 0.007 . 1 . . . . . 49 GLY N . 27961 1 560 . 1 . 1 50 50 PRO HA H 1 3.868 0.026 . 1 . . . . . 50 PRO HA . 27961 1 561 . 1 . 1 50 50 PRO HB2 H 1 2.272 0.008 . 1 . . . . . 50 PRO HB2 . 27961 1 562 . 1 . 1 50 50 PRO HB3 H 1 2.272 0.008 . 1 . . . . . 50 PRO HB3 . 27961 1 563 . 1 . 1 50 50 PRO HG2 H 1 2.006 0.010 . 1 . . . . . 50 PRO HG2 . 27961 1 564 . 1 . 1 50 50 PRO HG3 H 1 2.006 0.010 . 1 . . . . . 50 PRO HG3 . 27961 1 565 . 1 . 1 50 50 PRO HD2 H 1 3.760 0.012 . 1 . . . . . 50 PRO HD2 . 27961 1 566 . 1 . 1 50 50 PRO HD3 H 1 3.760 0.012 . 1 . . . . . 50 PRO HD3 . 27961 1 567 . 1 . 1 50 50 PRO C C 13 176.425 0.10 . 1 . . . . . 50 PRO C . 27961 1 568 . 1 . 1 50 50 PRO CA C 13 64.876 0.015 . 1 . . . . . 50 PRO CA . 27961 1 569 . 1 . 1 50 50 PRO CB C 13 31.256 0.015 . 1 . . . . . 50 PRO CB . 27961 1 570 . 1 . 1 50 50 PRO CG C 13 28.828 0.015 . 1 . . . . . 50 PRO CG . 27961 1 571 . 1 . 1 50 50 PRO CD C 13 49.869 0.015 . 1 . . . . . 50 PRO CD . 27961 1 572 . 1 . 1 51 51 GLY H H 1 9.189 0.004 . 1 . . . . . 51 GLY H . 27961 1 573 . 1 . 1 51 51 GLY HA2 H 1 3.505 0.014 . 1 . . . . . 51 GLY HA2 . 27961 1 574 . 1 . 1 51 51 GLY HA3 H 1 3.505 0.014 . 1 . . . . . 51 GLY HA3 . 27961 1 575 . 1 . 1 51 51 GLY C C 13 174.202 0.10 . 1 . . . . . 51 GLY C . 27961 1 576 . 1 . 1 51 51 GLY CA C 13 44.738 0.015 . 1 . . . . . 51 GLY CA . 27961 1 577 . 1 . 1 51 51 GLY N N 15 114.568 0.024 . 1 . . . . . 51 GLY N . 27961 1 578 . 1 . 1 52 52 THR H H 1 8.007 0.008 . 1 . . . . . 52 THR H . 27961 1 579 . 1 . 1 52 52 THR HA H 1 4.586 0.018 . 1 . . . . . 52 THR HA . 27961 1 580 . 1 . 1 52 52 THR HB H 1 3.974 0.010 . 1 . . . . . 52 THR HB . 27961 1 581 . 1 . 1 52 52 THR HG21 H 1 1.136 0.014 . 1 . . . . . 52 THR MG . 27961 1 582 . 1 . 1 52 52 THR HG22 H 1 1.136 0.014 . 1 . . . . . 52 THR MG . 27961 1 583 . 1 . 1 52 52 THR HG23 H 1 1.136 0.014 . 1 . . . . . 52 THR MG . 27961 1 584 . 1 . 1 52 52 THR C C 13 173.348 0.10 . 1 . . . . . 52 THR C . 27961 1 585 . 1 . 1 52 52 THR CA C 13 64.402 0.015 . 1 . . . . . 52 THR CA . 27961 1 586 . 1 . 1 52 52 THR CB C 13 69.638 0.015 . 1 . . . . . 52 THR CB . 27961 1 587 . 1 . 1 52 52 THR CG2 C 13 20.106 0.015 . 1 . . . . . 52 THR CG2 . 27961 1 588 . 1 . 1 52 52 THR N N 15 119.148 0.025 . 1 . . . . . 52 THR N . 27961 1 589 . 1 . 1 53 53 ILE H H 1 8.449 0.013 . 1 . . . . . 53 ILE H . 27961 1 590 . 1 . 1 53 53 ILE HA H 1 5.175 0.018 . 1 . . . . . 53 ILE HA . 27961 1 591 . 1 . 1 53 53 ILE HB H 1 1.865 0.024 . 1 . . . . . 53 ILE HB . 27961 1 592 . 1 . 1 53 53 ILE HG12 H 1 1.769 0.005 . 1 . . . . . 53 ILE HG12 . 27961 1 593 . 1 . 1 53 53 ILE HG13 H 1 1.769 0.005 . 1 . . . . . 53 ILE HG13 . 27961 1 594 . 1 . 1 53 53 ILE HG21 H 1 0.926 0.008 . 1 . . . . . 53 ILE MG . 27961 1 595 . 1 . 1 53 53 ILE HG22 H 1 0.926 0.008 . 1 . . . . . 53 ILE MG . 27961 1 596 . 1 . 1 53 53 ILE HG23 H 1 0.926 0.008 . 1 . . . . . 53 ILE MG . 27961 1 597 . 1 . 1 53 53 ILE HD11 H 1 0.828 0.002 . 1 . . . . . 53 ILE MD . 27961 1 598 . 1 . 1 53 53 ILE HD12 H 1 0.828 0.002 . 1 . . . . . 53 ILE MD . 27961 1 599 . 1 . 1 53 53 ILE HD13 H 1 0.828 0.002 . 1 . . . . . 53 ILE MD . 27961 1 600 . 1 . 1 53 53 ILE C C 13 175.237 0.10 . 1 . . . . . 53 ILE C . 27961 1 601 . 1 . 1 53 53 ILE CA C 13 59.036 0.015 . 1 . . . . . 53 ILE CA . 27961 1 602 . 1 . 1 53 53 ILE CB C 13 39.158 0.015 . 1 . . . . . 53 ILE CB . 27961 1 603 . 1 . 1 53 53 ILE CG1 C 13 27.181 0.015 . 1 . . . . . 53 ILE CG1 . 27961 1 604 . 1 . 1 53 53 ILE CG2 C 13 17.743 0.015 . 1 . . . . . 53 ILE CG2 . 27961 1 605 . 1 . 1 53 53 ILE CD1 C 13 11.537 0.015 . 1 . . . . . 53 ILE CD1 . 27961 1 606 . 1 . 1 53 53 ILE N N 15 126.034 0.046 . 1 . . . . . 53 ILE N . 27961 1 607 . 1 . 1 54 54 LYS H H 1 9.535 0.013 . 1 . . . . . 54 LYS H . 27961 1 608 . 1 . 1 54 54 LYS HA H 1 5.256 0.015 . 1 . . . . . 54 LYS HA . 27961 1 609 . 1 . 1 54 54 LYS HB2 H 1 1.498 0.019 . 1 . . . . . 54 LYS HB2 . 27961 1 610 . 1 . 1 54 54 LYS HB3 H 1 1.498 0.019 . 1 . . . . . 54 LYS HB3 . 27961 1 611 . 1 . 1 54 54 LYS HG2 H 1 1.224 0.005 . 1 . . . . . 54 LYS HG2 . 27961 1 612 . 1 . 1 54 54 LYS HG3 H 1 1.224 0.005 . 1 . . . . . 54 LYS HG3 . 27961 1 613 . 1 . 1 54 54 LYS HD2 H 1 1.499 0.014 . 1 . . . . . 54 LYS HD2 . 27961 1 614 . 1 . 1 54 54 LYS HD3 H 1 1.499 0.014 . 1 . . . . . 54 LYS HD3 . 27961 1 615 . 1 . 1 54 54 LYS HE2 H 1 2.723 0.013 . 1 . . . . . 54 LYS HE2 . 27961 1 616 . 1 . 1 54 54 LYS HE3 H 1 2.723 0.013 . 1 . . . . . 54 LYS HE3 . 27961 1 617 . 1 . 1 54 54 LYS C C 13 175.219 0.10 . 1 . . . . . 54 LYS C . 27961 1 618 . 1 . 1 54 54 LYS CA C 13 54.176 0.015 . 1 . . . . . 54 LYS CA . 27961 1 619 . 1 . 1 54 54 LYS CB C 13 36.610 0.015 . 1 . . . . . 54 LYS CB . 27961 1 620 . 1 . 1 54 54 LYS CG C 13 24.705 0.015 . 1 . . . . . 54 LYS CG . 27961 1 621 . 1 . 1 54 54 LYS CD C 13 29.642 0.015 . 1 . . . . . 54 LYS CD . 27961 1 622 . 1 . 1 54 54 LYS CE C 13 41.446 0.015 . 1 . . . . . 54 LYS CE . 27961 1 623 . 1 . 1 54 54 LYS N N 15 126.812 0.020 . 1 . . . . . 54 LYS N . 27961 1 624 . 1 . 1 55 55 LYS H H 1 9.321 0.010 . 1 . . . . . 55 LYS H . 27961 1 625 . 1 . 1 55 55 LYS HA H 1 4.832 0.020 . 1 . . . . . 55 LYS HA . 27961 1 626 . 1 . 1 55 55 LYS HB2 H 1 1.798 0.018 . 1 . . . . . 55 LYS HB2 . 27961 1 627 . 1 . 1 55 55 LYS HB3 H 1 1.798 0.018 . 1 . . . . . 55 LYS HB3 . 27961 1 628 . 1 . 1 55 55 LYS HG2 H 1 1.140 0.009 . 1 . . . . . 55 LYS HG2 . 27961 1 629 . 1 . 1 55 55 LYS HG3 H 1 1.140 0.009 . 1 . . . . . 55 LYS HG3 . 27961 1 630 . 1 . 1 55 55 LYS HD2 H 1 1.384 0.005 . 1 . . . . . 55 LYS HD2 . 27961 1 631 . 1 . 1 55 55 LYS HD3 H 1 1.384 0.005 . 1 . . . . . 55 LYS HD3 . 27961 1 632 . 1 . 1 55 55 LYS C C 13 174.939 0.10 . 1 . . . . . 55 LYS C . 27961 1 633 . 1 . 1 55 55 LYS CA C 13 55.427 0.015 . 1 . . . . . 55 LYS CA . 27961 1 634 . 1 . 1 55 55 LYS CB C 13 35.112 0.015 . 1 . . . . . 55 LYS CB . 27961 1 635 . 1 . 1 55 55 LYS CG C 13 25.345 0.015 . 1 . . . . . 55 LYS CG . 27961 1 636 . 1 . 1 55 55 LYS CD C 13 29.683 0.015 . 1 . . . . . 55 LYS CD . 27961 1 637 . 1 . 1 55 55 LYS CE C 13 41.356 0.015 . 1 . . . . . 55 LYS CE . 27961 1 638 . 1 . 1 55 55 LYS N N 15 123.733 0.016 . 1 . . . . . 55 LYS N . 27961 1 639 . 1 . 1 56 56 ILE H H 1 9.340 0.014 . 1 . . . . . 56 ILE H . 27961 1 640 . 1 . 1 56 56 ILE HA H 1 4.617 0.015 . 1 . . . . . 56 ILE HA . 27961 1 641 . 1 . 1 56 56 ILE HB H 1 1.493 0.019 . 1 . . . . . 56 ILE HB . 27961 1 642 . 1 . 1 56 56 ILE HG21 H 1 0.807 0.005 . 1 . . . . . 56 ILE MG . 27961 1 643 . 1 . 1 56 56 ILE HG22 H 1 0.807 0.005 . 1 . . . . . 56 ILE MG . 27961 1 644 . 1 . 1 56 56 ILE HG23 H 1 0.807 0.005 . 1 . . . . . 56 ILE MG . 27961 1 645 . 1 . 1 56 56 ILE HD11 H 1 -0.081 0.005 . 1 . . . . . 56 ILE MD . 27961 1 646 . 1 . 1 56 56 ILE HD12 H 1 -0.081 0.005 . 1 . . . . . 56 ILE MD . 27961 1 647 . 1 . 1 56 56 ILE HD13 H 1 -0.081 0.005 . 1 . . . . . 56 ILE MD . 27961 1 648 . 1 . 1 56 56 ILE CA C 13 58.636 0.015 . 1 . . . . . 56 ILE CA . 27961 1 649 . 1 . 1 56 56 ILE CB C 13 38.354 0.015 . 1 . . . . . 56 ILE CB . 27961 1 650 . 1 . 1 56 56 ILE CG2 C 13 17.582 0.015 . 1 . . . . . 56 ILE CG2 . 27961 1 651 . 1 . 1 56 56 ILE CD1 C 13 10.940 0.015 . 1 . . . . . 56 ILE CD1 . 27961 1 652 . 1 . 1 56 56 ILE N N 15 132.671 0.040 . 1 . . . . . 56 ILE N . 27961 1 653 . 1 . 1 58 58 PHE C C 13 172.656 0.10 . 1 . . . . . 58 PHE C . 27961 1 654 . 1 . 1 59 59 ALA H H 1 8.749 0.003 . 1 . . . . . 59 ALA H . 27961 1 655 . 1 . 1 59 59 ALA HB1 H 1 1.170 0.005 . 1 . . . . . 59 ALA MB . 27961 1 656 . 1 . 1 59 59 ALA HB2 H 1 1.170 0.005 . 1 . . . . . 59 ALA MB . 27961 1 657 . 1 . 1 59 59 ALA HB3 H 1 1.170 0.005 . 1 . . . . . 59 ALA MB . 27961 1 658 . 1 . 1 59 59 ALA C C 13 177.623 0.10 . 1 . . . . . 59 ALA C . 27961 1 659 . 1 . 1 59 59 ALA CA C 13 51.335 0.015 . 1 . . . . . 59 ALA CA . 27961 1 660 . 1 . 1 59 59 ALA CB C 13 20.529 0.015 . 1 . . . . . 59 ALA CB . 27961 1 661 . 1 . 1 59 59 ALA N N 15 123.052 0.007 . 1 . . . . . 59 ALA N . 27961 1 662 . 1 . 1 60 60 GLU H H 1 8.417 0.004 . 1 . . . . . 60 GLU H . 27961 1 663 . 1 . 1 60 60 GLU HA H 1 4.320 0.005 . 1 . . . . . 60 GLU HA . 27961 1 664 . 1 . 1 60 60 GLU C C 13 175.691 0.10 . 1 . . . . . 60 GLU C . 27961 1 665 . 1 . 1 60 60 GLU CA C 13 51.113 0.015 . 1 . . . . . 60 GLU CA . 27961 1 666 . 1 . 1 60 60 GLU N N 15 123.271 0.021 . 1 . . . . . 60 GLU N . 27961 1 667 . 1 . 1 62 62 SER HA H 1 4.403 0.014 . 1 . . . . . 62 SER HA . 27961 1 668 . 1 . 1 62 62 SER HB2 H 1 3.678 0.008 . 1 . . . . . 62 SER HB2 . 27961 1 669 . 1 . 1 62 62 SER HB3 H 1 3.678 0.008 . 1 . . . . . 62 SER HB3 . 27961 1 670 . 1 . 1 62 62 SER C C 13 173.298 0.10 . 1 . . . . . 62 SER C . 27961 1 671 . 1 . 1 62 62 SER CA C 13 56.640 0.015 . 1 . . . . . 62 SER CA . 27961 1 672 . 1 . 1 62 62 SER CB C 13 64.836 0.015 . 1 . . . . . 62 SER CB . 27961 1 673 . 1 . 1 63 63 GLU H H 1 7.310 0.026 . 1 . . . . . 63 GLU H . 27961 1 674 . 1 . 1 63 63 GLU HA H 1 4.186 0.05 . 1 . . . . . 63 GLU HA . 27961 1 675 . 1 . 1 63 63 GLU C C 13 174.572 0.10 . 1 . . . . . 63 GLU C . 27961 1 676 . 1 . 1 63 63 GLU CA C 13 58.937 0.015 . 1 . . . . . 63 GLU CA . 27961 1 677 . 1 . 1 63 63 GLU CB C 13 30.006 0.015 . 1 . . . . . 63 GLU CB . 27961 1 678 . 1 . 1 63 63 GLU N N 15 120.064 0.042 . 1 . . . . . 63 GLU N . 27961 1 679 . 1 . 1 64 64 PHE H H 1 7.880 0.003 . 1 . . . . . 64 PHE H . 27961 1 680 . 1 . 1 64 64 PHE HA H 1 5.936 0.012 . 1 . . . . . 64 PHE HA . 27961 1 681 . 1 . 1 64 64 PHE HB2 H 1 2.810 0.003 . 2 . . . . . 64 PHE HB2 . 27961 1 682 . 1 . 1 64 64 PHE HB3 H 1 3.018 0.002 . 2 . . . . . 64 PHE HB3 . 27961 1 683 . 1 . 1 64 64 PHE HD1 H 1 6.913 0.008 . 3 . . . . . 64 PHE HD1 . 27961 1 684 . 1 . 1 64 64 PHE HD2 H 1 6.913 0.008 . 3 . . . . . 64 PHE HD2 . 27961 1 685 . 1 . 1 64 64 PHE HE1 H 1 6.768 0.005 . 3 . . . . . 64 PHE HE1 . 27961 1 686 . 1 . 1 64 64 PHE HE2 H 1 6.768 0.005 . 3 . . . . . 64 PHE HE2 . 27961 1 687 . 1 . 1 64 64 PHE C C 13 175.203 0.10 . 1 . . . . . 64 PHE C . 27961 1 688 . 1 . 1 64 64 PHE CA C 13 56.154 0.015 . 1 . . . . . 64 PHE CA . 27961 1 689 . 1 . 1 64 64 PHE CB C 13 41.750 0.015 . 1 . . . . . 64 PHE CB . 27961 1 690 . 1 . 1 64 64 PHE CD1 C 13 133.506 0.015 . 1 . . . . . 64 PHE CD1 . 27961 1 691 . 1 . 1 64 64 PHE CD2 C 13 133.506 0.015 . 1 . . . . . 64 PHE CD2 . 27961 1 692 . 1 . 1 64 64 PHE CE1 C 13 130.310 0.015 . 1 . . . . . 64 PHE CE1 . 27961 1 693 . 1 . 1 64 64 PHE CE2 C 13 130.310 0.015 . 1 . . . . . 64 PHE CE2 . 27961 1 694 . 1 . 1 64 64 PHE N N 15 113.472 0.039 . 1 . . . . . 64 PHE N . 27961 1 695 . 1 . 1 67 67 MET HA H 1 5.153 0.007 . 1 . . . . . 67 MET HA . 27961 1 696 . 1 . 1 67 67 MET HB2 H 1 2.401 0.008 . 1 . . . . . 67 MET HB2 . 27961 1 697 . 1 . 1 67 67 MET HB3 H 1 2.401 0.008 . 1 . . . . . 67 MET HB3 . 27961 1 698 . 1 . 1 67 67 MET HG2 H 1 2.402 0.008 . 1 . . . . . 67 MET HG2 . 27961 1 699 . 1 . 1 67 67 MET HG3 H 1 2.402 0.008 . 1 . . . . . 67 MET HG3 . 27961 1 700 . 1 . 1 67 67 MET C C 13 174.271 0.10 . 1 . . . . . 67 MET C . 27961 1 701 . 1 . 1 67 67 MET CA C 13 54.682 0.015 . 1 . . . . . 67 MET CA . 27961 1 702 . 1 . 1 67 67 MET CB C 13 37.425 0.015 . 1 . . . . . 67 MET CB . 27961 1 703 . 1 . 1 67 67 MET CG C 13 31.667 0.015 . 1 . . . . . 67 MET CG . 27961 1 704 . 1 . 1 68 68 LYS H H 1 8.870 0.009 . 1 . . . . . 68 LYS H . 27961 1 705 . 1 . 1 68 68 LYS HA H 1 5.839 0.014 . 1 . . . . . 68 LYS HA . 27961 1 706 . 1 . 1 68 68 LYS HB2 H 1 1.707 0.017 . 1 . . . . . 68 LYS HB2 . 27961 1 707 . 1 . 1 68 68 LYS HB3 H 1 1.707 0.017 . 1 . . . . . 68 LYS HB3 . 27961 1 708 . 1 . 1 68 68 LYS C C 13 176.043 0.10 . 1 . . . . . 68 LYS C . 27961 1 709 . 1 . 1 68 68 LYS CA C 13 55.082 0.015 . 1 . . . . . 68 LYS CA . 27961 1 710 . 1 . 1 68 68 LYS CB C 13 36.731 0.015 . 1 . . . . . 68 LYS CB . 27961 1 711 . 1 . 1 68 68 LYS N N 15 118.347 0.047 . 1 . . . . . 68 LYS N . 27961 1 712 . 1 . 1 69 69 HIS H H 1 9.116 0.010 . 1 . . . . . 69 HIS H . 27961 1 713 . 1 . 1 69 69 HIS HA H 1 6.036 0.014 . 1 . . . . . 69 HIS HA . 27961 1 714 . 1 . 1 69 69 HIS HB2 H 1 2.920 0.018 . 1 . . . . . 69 HIS HB2 . 27961 1 715 . 1 . 1 69 69 HIS HB3 H 1 2.920 0.018 . 1 . . . . . 69 HIS HB3 . 27961 1 716 . 1 . 1 69 69 HIS HD2 H 1 6.717 0.015 . 1 . . . . . 69 HIS HD2 . 27961 1 717 . 1 . 1 69 69 HIS C C 13 174.441 0.10 . 1 . . . . . 69 HIS C . 27961 1 718 . 1 . 1 69 69 HIS CA C 13 52.285 0.10 . 1 . . . . . 69 HIS CA . 27961 1 719 . 1 . 1 69 69 HIS CB C 13 36.469 0.015 . 1 . . . . . 69 HIS CB . 27961 1 720 . 1 . 1 69 69 HIS CD2 C 13 122.683 0.10 . 1 . . . . . 69 HIS CD2 . 27961 1 721 . 1 . 1 69 69 HIS N N 15 122.806 0.036 . 1 . . . . . 69 HIS N . 27961 1 722 . 1 . 1 70 70 LYS H H 1 9.683 0.008 . 1 . . . . . 70 LYS H . 27961 1 723 . 1 . 1 70 70 LYS HA H 1 5.506 0.022 . 1 . . . . . 70 LYS HA . 27961 1 724 . 1 . 1 70 70 LYS HB2 H 1 1.543 0.027 . 1 . . . . . 70 LYS HB2 . 27961 1 725 . 1 . 1 70 70 LYS HB3 H 1 1.543 0.027 . 1 . . . . . 70 LYS HB3 . 27961 1 726 . 1 . 1 70 70 LYS HG2 H 1 1.115 0.019 . 1 . . . . . 70 LYS HG2 . 27961 1 727 . 1 . 1 70 70 LYS HG3 H 1 1.115 0.019 . 1 . . . . . 70 LYS HG3 . 27961 1 728 . 1 . 1 70 70 LYS HD2 H 1 1.586 0.010 . 1 . . . . . 70 LYS HD2 . 27961 1 729 . 1 . 1 70 70 LYS HD3 H 1 1.586 0.010 . 1 . . . . . 70 LYS HD3 . 27961 1 730 . 1 . 1 70 70 LYS HE2 H 1 2.872 0.014 . 1 . . . . . 70 LYS HE2 . 27961 1 731 . 1 . 1 70 70 LYS HE3 H 1 2.872 0.014 . 1 . . . . . 70 LYS HE3 . 27961 1 732 . 1 . 1 70 70 LYS C C 13 176.151 0.10 . 1 . . . . . 70 LYS C . 27961 1 733 . 1 . 1 70 70 LYS CA C 13 54.136 0.015 . 1 . . . . . 70 LYS CA . 27961 1 734 . 1 . 1 70 70 LYS CB C 13 36.390 0.015 . 1 . . . . . 70 LYS CB . 27961 1 735 . 1 . 1 70 70 LYS CG C 13 25.234 0.015 . 1 . . . . . 70 LYS CG . 27961 1 736 . 1 . 1 70 70 LYS CD C 13 29.700 0.015 . 1 . . . . . 70 LYS CD . 27961 1 737 . 1 . 1 70 70 LYS CE C 13 42.144 0.015 . 1 . . . . . 70 LYS CE . 27961 1 738 . 1 . 1 70 70 LYS N N 15 122.876 0.05 . 1 . . . . . 70 LYS N . 27961 1 739 . 1 . 1 71 71 VAL H H 1 9.273 0.010 . 1 . . . . . 71 VAL H . 27961 1 740 . 1 . 1 71 71 VAL HA H 1 3.837 0.015 . 1 . . . . . 71 VAL HA . 27961 1 741 . 1 . 1 71 71 VAL HB H 1 2.205 0.015 . 1 . . . . . 71 VAL HB . 27961 1 742 . 1 . 1 71 71 VAL HG11 H 1 1.005 0.014 . 1 . . . . . 71 VAL MG1 . 27961 1 743 . 1 . 1 71 71 VAL HG12 H 1 1.005 0.014 . 1 . . . . . 71 VAL MG1 . 27961 1 744 . 1 . 1 71 71 VAL HG13 H 1 1.005 0.014 . 1 . . . . . 71 VAL MG1 . 27961 1 745 . 1 . 1 71 71 VAL HG21 H 1 1.005 0.014 . 1 . . . . . 71 VAL MG2 . 27961 1 746 . 1 . 1 71 71 VAL HG22 H 1 1.005 0.014 . 1 . . . . . 71 VAL MG2 . 27961 1 747 . 1 . 1 71 71 VAL HG23 H 1 1.005 0.014 . 1 . . . . . 71 VAL MG2 . 27961 1 748 . 1 . 1 71 71 VAL C C 13 175.982 0.10 . 1 . . . . . 71 VAL C . 27961 1 749 . 1 . 1 71 71 VAL CA C 13 64.281 0.015 . 1 . . . . . 71 VAL CA . 27961 1 750 . 1 . 1 71 71 VAL CB C 13 32.176 0.015 . 1 . . . . . 71 VAL CB . 27961 1 751 . 1 . 1 71 71 VAL CG1 C 13 21.085 0.049 . 1 . . . . . 71 VAL CG1 . 27961 1 752 . 1 . 1 71 71 VAL CG2 C 13 21.085 0.049 . 1 . . . . . 71 VAL CG2 . 27961 1 753 . 1 . 1 71 71 VAL N N 15 128.569 0.024 . 1 . . . . . 71 VAL N . 27961 1 754 . 1 . 1 72 72 GLU H H 1 8.882 0.010 . 1 . . . . . 72 GLU H . 27961 1 755 . 1 . 1 72 72 GLU HA H 1 4.652 0.016 . 1 . . . . . 72 GLU HA . 27961 1 756 . 1 . 1 72 72 GLU HB2 H 1 1.606 0.022 . 1 . . . . . 72 GLU HB2 . 27961 1 757 . 1 . 1 72 72 GLU HB3 H 1 1.606 0.022 . 1 . . . . . 72 GLU HB3 . 27961 1 758 . 1 . 1 72 72 GLU HG2 H 1 2.150 0.004 . 1 . . . . . 72 GLU HG2 . 27961 1 759 . 1 . 1 72 72 GLU HG3 H 1 2.150 0.004 . 1 . . . . . 72 GLU HG3 . 27961 1 760 . 1 . 1 72 72 GLU C C 13 176.393 0.10 . 1 . . . . . 72 GLU C . 27961 1 761 . 1 . 1 72 72 GLU CA C 13 57.369 0.015 . 1 . . . . . 72 GLU CA . 27961 1 762 . 1 . 1 72 72 GLU CB C 13 31.496 0.015 . 1 . . . . . 72 GLU CB . 27961 1 763 . 1 . 1 72 72 GLU CG C 13 35.703 0.015 . 1 . . . . . 72 GLU CG . 27961 1 764 . 1 . 1 72 72 GLU N N 15 128.569 0.012 . 1 . . . . . 72 GLU N . 27961 1 765 . 1 . 1 73 73 GLU H H 1 8.001 0.008 . 1 . . . . . 73 GLU H . 27961 1 766 . 1 . 1 73 73 GLU HA H 1 4.612 0.020 . 1 . . . . . 73 GLU HA . 27961 1 767 . 1 . 1 73 73 GLU HB2 H 1 2.022 0.019 . 1 . . . . . 73 GLU HB2 . 27961 1 768 . 1 . 1 73 73 GLU HB3 H 1 2.022 0.019 . 1 . . . . . 73 GLU HB3 . 27961 1 769 . 1 . 1 73 73 GLU HG2 H 1 2.215 0.009 . 1 . . . . . 73 GLU HG2 . 27961 1 770 . 1 . 1 73 73 GLU HG3 H 1 2.215 0.009 . 1 . . . . . 73 GLU HG3 . 27961 1 771 . 1 . 1 73 73 GLU C C 13 174.430 0.10 . 1 . . . . . 73 GLU C . 27961 1 772 . 1 . 1 73 73 GLU CA C 13 56.668 0.015 . 1 . . . . . 73 GLU CA . 27961 1 773 . 1 . 1 73 73 GLU CB C 13 34.358 0.015 . 1 . . . . . 73 GLU CB . 27961 1 774 . 1 . 1 73 73 GLU CG C 13 36.188 0.015 . 1 . . . . . 73 GLU CG . 27961 1 775 . 1 . 1 73 73 GLU N N 15 117.437 0.028 . 1 . . . . . 73 GLU N . 27961 1 776 . 1 . 1 74 74 ILE H H 1 8.840 0.011 . 1 . . . . . 74 ILE H . 27961 1 777 . 1 . 1 74 74 ILE HA H 1 4.744 0.018 . 1 . . . . . 74 ILE HA . 27961 1 778 . 1 . 1 74 74 ILE HB H 1 1.906 0.020 . 1 . . . . . 74 ILE HB . 27961 1 779 . 1 . 1 74 74 ILE HG12 H 1 1.035 0.014 . 1 . . . . . 74 ILE HG12 . 27961 1 780 . 1 . 1 74 74 ILE HG13 H 1 1.035 0.014 . 1 . . . . . 74 ILE HG13 . 27961 1 781 . 1 . 1 74 74 ILE HG21 H 1 0.784 0.029 . 1 . . . . . 74 ILE MG . 27961 1 782 . 1 . 1 74 74 ILE HG22 H 1 0.784 0.029 . 1 . . . . . 74 ILE MG . 27961 1 783 . 1 . 1 74 74 ILE HG23 H 1 0.784 0.029 . 1 . . . . . 74 ILE MG . 27961 1 784 . 1 . 1 74 74 ILE HD11 H 1 0.854 0.029 . 1 . . . . . 74 ILE MD . 27961 1 785 . 1 . 1 74 74 ILE HD12 H 1 0.854 0.029 . 1 . . . . . 74 ILE MD . 27961 1 786 . 1 . 1 74 74 ILE HD13 H 1 0.854 0.029 . 1 . . . . . 74 ILE MD . 27961 1 787 . 1 . 1 74 74 ILE C C 13 173.619 0.10 . 1 . . . . . 74 ILE C . 27961 1 788 . 1 . 1 74 74 ILE CA C 13 62.292 0.015 . 1 . . . . . 74 ILE CA . 27961 1 789 . 1 . 1 74 74 ILE CB C 13 41.040 0.015 . 1 . . . . . 74 ILE CB . 27961 1 790 . 1 . 1 74 74 ILE CG1 C 13 27.505 0.015 . 1 . . . . . 74 ILE CG1 . 27961 1 791 . 1 . 1 74 74 ILE CG2 C 13 17.568 0.024 . 1 . . . . . 74 ILE CG2 . 27961 1 792 . 1 . 1 74 74 ILE CD1 C 13 14.476 0.015 . 1 . . . . . 74 ILE CD1 . 27961 1 793 . 1 . 1 74 74 ILE N N 15 123.435 0.020 . 1 . . . . . 74 ILE N . 27961 1 794 . 1 . 1 75 75 ASP H H 1 9.325 0.013 . 1 . . . . . 75 ASP H . 27961 1 795 . 1 . 1 75 75 ASP HA H 1 5.131 0.023 . 1 . . . . . 75 ASP HA . 27961 1 796 . 1 . 1 75 75 ASP HB2 H 1 3.002 0.018 . 2 . . . . . 75 ASP HB2 . 27961 1 797 . 1 . 1 75 75 ASP HB3 H 1 2.641 0.012 . 2 . . . . . 75 ASP HB3 . 27961 1 798 . 1 . 1 75 75 ASP C C 13 176.400 0.10 . 1 . . . . . 75 ASP C . 27961 1 799 . 1 . 1 75 75 ASP CA C 13 52.111 0.015 . 1 . . . . . 75 ASP CA . 27961 1 800 . 1 . 1 75 75 ASP CB C 13 41.945 0.015 . 1 . . . . . 75 ASP CB . 27961 1 801 . 1 . 1 75 75 ASP N N 15 127.315 0.024 . 1 . . . . . 75 ASP N . 27961 1 802 . 1 . 1 76 76 HIS H H 1 8.679 0.015 . 1 . . . . . 76 HIS H . 27961 1 803 . 1 . 1 76 76 HIS HA H 1 3.969 0.014 . 1 . . . . . 76 HIS HA . 27961 1 804 . 1 . 1 76 76 HIS HB2 H 1 3.044 0.020 . 1 . . . . . 76 HIS HB2 . 27961 1 805 . 1 . 1 76 76 HIS HB3 H 1 3.044 0.020 . 1 . . . . . 76 HIS HB3 . 27961 1 806 . 1 . 1 76 76 HIS HD2 H 1 7.226 0.003 . 1 . . . . . 76 HIS HD2 . 27961 1 807 . 1 . 1 76 76 HIS C C 13 177.075 0.10 . 1 . . . . . 76 HIS C . 27961 1 808 . 1 . 1 76 76 HIS CA C 13 59.500 0.015 . 1 . . . . . 76 HIS CA . 27961 1 809 . 1 . 1 76 76 HIS CB C 13 31.428 0.015 . 1 . . . . . 76 HIS CB . 27961 1 810 . 1 . 1 76 76 HIS CD2 C 13 118.747 0.10 . 1 . . . . . 76 HIS CD2 . 27961 1 811 . 1 . 1 76 76 HIS N N 15 122.947 0.049 . 1 . . . . . 76 HIS N . 27961 1 812 . 1 . 1 76 76 HIS ND1 N 15 227.083 0.05 . 1 . . . . . 76 HIS ND1 . 27961 1 813 . 1 . 1 76 76 HIS NE2 N 15 166.651 0.05 . 1 . . . . . 76 HIS NE2 . 27961 1 814 . 1 . 1 77 77 ALA H H 1 8.040 0.009 . 1 . . . . . 77 ALA H . 27961 1 815 . 1 . 1 77 77 ALA HA H 1 3.879 0.021 . 1 . . . . . 77 ALA HA . 27961 1 816 . 1 . 1 77 77 ALA HB1 H 1 1.293 0.024 . 1 . . . . . 77 ALA MB . 27961 1 817 . 1 . 1 77 77 ALA HB2 H 1 1.293 0.024 . 1 . . . . . 77 ALA MB . 27961 1 818 . 1 . 1 77 77 ALA HB3 H 1 1.293 0.024 . 1 . . . . . 77 ALA MB . 27961 1 819 . 1 . 1 77 77 ALA C C 13 178.045 0.10 . 1 . . . . . 77 ALA C . 27961 1 820 . 1 . 1 77 77 ALA CA C 13 53.884 0.015 . 1 . . . . . 77 ALA CA . 27961 1 821 . 1 . 1 77 77 ALA CB C 13 18.720 0.027 . 1 . . . . . 77 ALA CB . 27961 1 822 . 1 . 1 77 77 ALA N N 15 119.598 0.040 . 1 . . . . . 77 ALA N . 27961 1 823 . 1 . 1 78 78 ASN H H 1 7.128 0.010 . 1 . . . . . 78 ASN H . 27961 1 824 . 1 . 1 78 78 ASN HA H 1 4.501 0.013 . 1 . . . . . 78 ASN HA . 27961 1 825 . 1 . 1 78 78 ASN HB2 H 1 2.681 0.020 . 2 . . . . . 78 ASN HB2 . 27961 1 826 . 1 . 1 78 78 ASN HB3 H 1 2.158 0.016 . 2 . . . . . 78 ASN HB3 . 27961 1 827 . 1 . 1 78 78 ASN HD21 H 1 6.950 0.010 . 2 . . . . . 78 ASN HD21 . 27961 1 828 . 1 . 1 78 78 ASN HD22 H 1 8.765 0.006 . 2 . . . . . 78 ASN HD22 . 27961 1 829 . 1 . 1 78 78 ASN C C 13 172.705 0.10 . 1 . . . . . 78 ASN C . 27961 1 830 . 1 . 1 78 78 ASN CA C 13 51.835 0.015 . 1 . . . . . 78 ASN CA . 27961 1 831 . 1 . 1 78 78 ASN CB C 13 39.546 0.015 . 1 . . . . . 78 ASN CB . 27961 1 832 . 1 . 1 78 78 ASN N N 15 111.692 0.030 . 1 . . . . . 78 ASN N . 27961 1 833 . 1 . 1 78 78 ASN ND2 N 15 118.531 0.024 . 1 . . . . . 78 ASN ND2 . 27961 1 834 . 1 . 1 79 79 PHE H H 1 6.864 0.004 . 1 . . . . . 79 PHE H . 27961 1 835 . 1 . 1 79 79 PHE HA H 1 3.715 0.015 . 1 . . . . . 79 PHE HA . 27961 1 836 . 1 . 1 79 79 PHE HB2 H 1 2.758 0.011 . 1 . . . . . 79 PHE HB2 . 27961 1 837 . 1 . 1 79 79 PHE HB3 H 1 2.758 0.011 . 1 . . . . . 79 PHE HB3 . 27961 1 838 . 1 . 1 79 79 PHE HD1 H 1 6.630 0.017 . 3 . . . . . 79 PHE HD1 . 27961 1 839 . 1 . 1 79 79 PHE HD2 H 1 6.630 0.017 . 3 . . . . . 79 PHE HD2 . 27961 1 840 . 1 . 1 79 79 PHE HE1 H 1 6.632 0.005 . 3 . . . . . 79 PHE HE1 . 27961 1 841 . 1 . 1 79 79 PHE HE2 H 1 6.632 0.005 . 3 . . . . . 79 PHE HE2 . 27961 1 842 . 1 . 1 79 79 PHE C C 13 173.139 0.10 . 1 . . . . . 79 PHE C . 27961 1 843 . 1 . 1 79 79 PHE CA C 13 56.623 0.015 . 1 . . . . . 79 PHE CA . 27961 1 844 . 1 . 1 79 79 PHE CB C 13 36.176 0.015 . 1 . . . . . 79 PHE CB . 27961 1 845 . 1 . 1 79 79 PHE CD1 C 13 131.190 0.10 . 1 . . . . . 79 PHE CD1 . 27961 1 846 . 1 . 1 79 79 PHE CD2 C 13 131.190 0.10 . 1 . . . . . 79 PHE CD2 . 27961 1 847 . 1 . 1 79 79 PHE N N 15 116.463 0.035 . 1 . . . . . 79 PHE N . 27961 1 848 . 1 . 1 80 80 LYS H H 1 7.945 0.012 . 1 . . . . . 80 LYS H . 27961 1 849 . 1 . 1 80 80 LYS HA H 1 5.786 0.016 . 1 . . . . . 80 LYS HA . 27961 1 850 . 1 . 1 80 80 LYS HB2 H 1 1.583 0.018 . 1 . . . . . 80 LYS HB2 . 27961 1 851 . 1 . 1 80 80 LYS HB3 H 1 1.583 0.018 . 1 . . . . . 80 LYS HB3 . 27961 1 852 . 1 . 1 80 80 LYS HG2 H 1 1.433 0.005 . 1 . . . . . 80 LYS HG2 . 27961 1 853 . 1 . 1 80 80 LYS HG3 H 1 1.433 0.005 . 1 . . . . . 80 LYS HG3 . 27961 1 854 . 1 . 1 80 80 LYS HD2 H 1 1.635 0.008 . 1 . . . . . 80 LYS HD2 . 27961 1 855 . 1 . 1 80 80 LYS HD3 H 1 1.635 0.008 . 1 . . . . . 80 LYS HD3 . 27961 1 856 . 1 . 1 80 80 LYS HE2 H 1 2.811 0.008 . 1 . . . . . 80 LYS HE2 . 27961 1 857 . 1 . 1 80 80 LYS HE3 H 1 2.811 0.008 . 1 . . . . . 80 LYS HE3 . 27961 1 858 . 1 . 1 80 80 LYS C C 13 174.341 0.10 . 1 . . . . . 80 LYS C . 27961 1 859 . 1 . 1 80 80 LYS CA C 13 54.417 0.015 . 1 . . . . . 80 LYS CA . 27961 1 860 . 1 . 1 80 80 LYS CB C 13 37.103 0.015 . 1 . . . . . 80 LYS CB . 27961 1 861 . 1 . 1 80 80 LYS CG C 13 25.797 0.015 . 1 . . . . . 80 LYS CG . 27961 1 862 . 1 . 1 80 80 LYS CD C 13 29.462 0.015 . 1 . . . . . 80 LYS CD . 27961 1 863 . 1 . 1 80 80 LYS CE C 13 41.773 0.015 . 1 . . . . . 80 LYS CE . 27961 1 864 . 1 . 1 80 80 LYS N N 15 118.705 0.020 . 1 . . . . . 80 LYS N . 27961 1 865 . 1 . 1 81 81 TYR H H 1 9.594 0.007 . 1 . . . . . 81 TYR H . 27961 1 866 . 1 . 1 81 81 TYR HA H 1 5.630 0.027 . 1 . . . . . 81 TYR HA . 27961 1 867 . 1 . 1 81 81 TYR HB2 H 1 2.911 0.019 . 2 . . . . . 81 TYR HB2 . 27961 1 868 . 1 . 1 81 81 TYR HB3 H 1 3.128 0.017 . 2 . . . . . 81 TYR HB3 . 27961 1 869 . 1 . 1 81 81 TYR HD1 H 1 7.091 0.015 . 3 . . . . . 81 TYR HD1 . 27961 1 870 . 1 . 1 81 81 TYR HD2 H 1 7.091 0.015 . 3 . . . . . 81 TYR HD2 . 27961 1 871 . 1 . 1 81 81 TYR HE1 H 1 6.520 0.004 . 3 . . . . . 81 TYR HE1 . 27961 1 872 . 1 . 1 81 81 TYR HE2 H 1 6.520 0.004 . 3 . . . . . 81 TYR HE2 . 27961 1 873 . 1 . 1 81 81 TYR C C 13 173.950 0.10 . 1 . . . . . 81 TYR C . 27961 1 874 . 1 . 1 81 81 TYR CA C 13 55.107 0.015 . 1 . . . . . 81 TYR CA . 27961 1 875 . 1 . 1 81 81 TYR CB C 13 44.066 0.015 . 1 . . . . . 81 TYR CB . 27961 1 876 . 1 . 1 81 81 TYR CD1 C 13 132.868 0.015 . 1 . . . . . 81 TYR CD1 . 27961 1 877 . 1 . 1 81 81 TYR CD2 C 13 132.868 0.015 . 1 . . . . . 81 TYR CD2 . 27961 1 878 . 1 . 1 81 81 TYR CE1 C 13 118.370 0.10 . 1 . . . . . 81 TYR CE1 . 27961 1 879 . 1 . 1 81 81 TYR CE2 C 13 118.370 0.10 . 1 . . . . . 81 TYR CE2 . 27961 1 880 . 1 . 1 81 81 TYR N N 15 128.701 0.028 . 1 . . . . . 81 TYR N . 27961 1 881 . 1 . 1 82 82 CYS H H 1 9.028 0.014 . 1 . . . . . 82 CYS H . 27961 1 882 . 1 . 1 82 82 CYS HA H 1 5.734 0.012 . 1 . . . . . 82 CYS HA . 27961 1 883 . 1 . 1 82 82 CYS HB2 H 1 2.835 0.012 . 2 . . . . . 82 CYS HB2 . 27961 1 884 . 1 . 1 82 82 CYS HB3 H 1 3.295 0.024 . 2 . . . . . 82 CYS HB3 . 27961 1 885 . 1 . 1 82 82 CYS C C 13 173.521 0.10 . 1 . . . . . 82 CYS C . 27961 1 886 . 1 . 1 82 82 CYS CA C 13 55.318 0.015 . 1 . . . . . 82 CYS CA . 27961 1 887 . 1 . 1 82 82 CYS CB C 13 30.915 0.015 . 1 . . . . . 82 CYS CB . 27961 1 888 . 1 . 1 82 82 CYS N N 15 124.481 0.025 . 1 . . . . . 82 CYS N . 27961 1 889 . 1 . 1 83 83 TYR H H 1 8.633 0.012 . 1 . . . . . 83 TYR H . 27961 1 890 . 1 . 1 83 83 TYR HA H 1 5.257 0.018 . 1 . . . . . 83 TYR HA . 27961 1 891 . 1 . 1 83 83 TYR HB2 H 1 2.720 0.012 . 1 . . . . . 83 TYR HB2 . 27961 1 892 . 1 . 1 83 83 TYR HB3 H 1 2.720 0.012 . 1 . . . . . 83 TYR HB3 . 27961 1 893 . 1 . 1 83 83 TYR HD1 H 1 6.287 0.009 . 3 . . . . . 83 TYR HD1 . 27961 1 894 . 1 . 1 83 83 TYR HD2 H 1 6.287 0.009 . 3 . . . . . 83 TYR HD2 . 27961 1 895 . 1 . 1 83 83 TYR HE1 H 1 6.047 0.017 . 3 . . . . . 83 TYR HE1 . 27961 1 896 . 1 . 1 83 83 TYR HE2 H 1 6.047 0.017 . 3 . . . . . 83 TYR HE2 . 27961 1 897 . 1 . 1 83 83 TYR C C 13 171.816 0.10 . 1 . . . . . 83 TYR C . 27961 1 898 . 1 . 1 83 83 TYR CA C 13 56.061 0.015 . 1 . . . . . 83 TYR CA . 27961 1 899 . 1 . 1 83 83 TYR CB C 13 41.013 0.015 . 1 . . . . . 83 TYR CB . 27961 1 900 . 1 . 1 83 83 TYR CD1 C 13 133.040 0.10 . 1 . . . . . 83 TYR CD1 . 27961 1 901 . 1 . 1 83 83 TYR CD2 C 13 133.040 0.10 . 1 . . . . . 83 TYR CD2 . 27961 1 902 . 1 . 1 83 83 TYR CE1 C 13 117.738 0.10 . 1 . . . . . 83 TYR CE1 . 27961 1 903 . 1 . 1 83 83 TYR CE2 C 13 117.738 0.10 . 1 . . . . . 83 TYR CE2 . 27961 1 904 . 1 . 1 83 83 TYR N N 15 122.759 0.038 . 1 . . . . . 83 TYR N . 27961 1 905 . 1 . 1 84 84 SER H H 1 9.077 0.011 . 1 . . . . . 84 SER H . 27961 1 906 . 1 . 1 84 84 SER HA H 1 5.514 0.014 . 1 . . . . . 84 SER HA . 27961 1 907 . 1 . 1 84 84 SER HB2 H 1 3.444 0.015 . 1 . . . . . 84 SER HB2 . 27961 1 908 . 1 . 1 84 84 SER HB3 H 1 3.444 0.015 . 1 . . . . . 84 SER HB3 . 27961 1 909 . 1 . 1 84 84 SER C C 13 173.906 0.10 . 1 . . . . . 84 SER C . 27961 1 910 . 1 . 1 84 84 SER CA C 13 56.789 0.015 . 1 . . . . . 84 SER CA . 27961 1 911 . 1 . 1 84 84 SER CB C 13 66.528 0.015 . 1 . . . . . 84 SER CB . 27961 1 912 . 1 . 1 84 84 SER N N 15 113.625 0.050 . 1 . . . . . 84 SER N . 27961 1 913 . 1 . 1 85 85 ILE H H 1 9.569 0.006 . 1 . . . . . 85 ILE H . 27961 1 914 . 1 . 1 85 85 ILE HA H 1 4.747 0.018 . 1 . . . . . 85 ILE HA . 27961 1 915 . 1 . 1 85 85 ILE HB H 1 1.864 0.034 . 1 . . . . . 85 ILE HB . 27961 1 916 . 1 . 1 85 85 ILE HG21 H 1 1.061 0.005 . 1 . . . . . 85 ILE MG . 27961 1 917 . 1 . 1 85 85 ILE HG22 H 1 1.061 0.005 . 1 . . . . . 85 ILE MG . 27961 1 918 . 1 . 1 85 85 ILE HG23 H 1 1.061 0.005 . 1 . . . . . 85 ILE MG . 27961 1 919 . 1 . 1 85 85 ILE C C 13 176.493 0.10 . 1 . . . . . 85 ILE C . 27961 1 920 . 1 . 1 85 85 ILE CA C 13 62.089 0.015 . 1 . . . . . 85 ILE CA . 27961 1 921 . 1 . 1 85 85 ILE CB C 13 38.548 0.015 . 1 . . . . . 85 ILE CB . 27961 1 922 . 1 . 1 85 85 ILE CG2 C 13 17.899 0.015 . 1 . . . . . 85 ILE CG2 . 27961 1 923 . 1 . 1 85 85 ILE CD1 C 13 14.245 0.015 . 1 . . . . . 85 ILE CD1 . 27961 1 924 . 1 . 1 85 85 ILE N N 15 124.758 0.033 . 1 . . . . . 85 ILE N . 27961 1 925 . 1 . 1 86 86 ILE H H 1 8.045 0.011 . 1 . . . . . 86 ILE H . 27961 1 926 . 1 . 1 86 86 ILE HA H 1 4.103 0.008 . 1 . . . . . 86 ILE HA . 27961 1 927 . 1 . 1 86 86 ILE HB H 1 1.705 0.015 . 1 . . . . . 86 ILE HB . 27961 1 928 . 1 . 1 86 86 ILE HG12 H 1 1.253 0.019 . 1 . . . . . 86 ILE HG12 . 27961 1 929 . 1 . 1 86 86 ILE HG13 H 1 1.253 0.019 . 1 . . . . . 86 ILE HG13 . 27961 1 930 . 1 . 1 86 86 ILE HG21 H 1 1.250 0.019 . 1 . . . . . 86 ILE MG . 27961 1 931 . 1 . 1 86 86 ILE HG22 H 1 1.250 0.019 . 1 . . . . . 86 ILE MG . 27961 1 932 . 1 . 1 86 86 ILE HG23 H 1 1.250 0.019 . 1 . . . . . 86 ILE MG . 27961 1 933 . 1 . 1 86 86 ILE HD11 H 1 0.876 0.016 . 1 . . . . . 86 ILE MD . 27961 1 934 . 1 . 1 86 86 ILE HD12 H 1 0.876 0.016 . 1 . . . . . 86 ILE MD . 27961 1 935 . 1 . 1 86 86 ILE HD13 H 1 0.876 0.016 . 1 . . . . . 86 ILE MD . 27961 1 936 . 1 . 1 86 86 ILE C C 13 176.117 0.10 . 1 . . . . . 86 ILE C . 27961 1 937 . 1 . 1 86 86 ILE CA C 13 60.977 0.015 . 1 . . . . . 86 ILE CA . 27961 1 938 . 1 . 1 86 86 ILE CB C 13 39.753 0.015 . 1 . . . . . 86 ILE CB . 27961 1 939 . 1 . 1 86 86 ILE CG1 C 13 26.468 0.015 . 1 . . . . . 86 ILE CG1 . 27961 1 940 . 1 . 1 86 86 ILE CG2 C 13 19.035 0.015 . 1 . . . . . 86 ILE CG2 . 27961 1 941 . 1 . 1 86 86 ILE CD1 C 13 14.394 0.015 . 1 . . . . . 86 ILE CD1 . 27961 1 942 . 1 . 1 86 86 ILE N N 15 115.444 0.029 . 1 . . . . . 86 ILE N . 27961 1 943 . 1 . 1 87 87 GLU H H 1 7.571 0.008 . 1 . . . . . 87 GLU H . 27961 1 944 . 1 . 1 87 87 GLU HA H 1 4.392 0.005 . 1 . . . . . 87 GLU HA . 27961 1 945 . 1 . 1 87 87 GLU HB2 H 1 2.245 0.025 . 1 . . . . . 87 GLU HB2 . 27961 1 946 . 1 . 1 87 87 GLU HB3 H 1 2.265 0.002 . 1 . . . . . 87 GLU HB3 . 27961 1 947 . 1 . 1 87 87 GLU HG2 H 1 2.466 0.005 . 1 . . . . . 87 GLU HG2 . 27961 1 948 . 1 . 1 87 87 GLU HG3 H 1 2.466 0.005 . 1 . . . . . 87 GLU HG3 . 27961 1 949 . 1 . 1 87 87 GLU C C 13 175.029 0.10 . 1 . . . . . 87 GLU C . 27961 1 950 . 1 . 1 87 87 GLU CA C 13 57.452 0.015 . 1 . . . . . 87 GLU CA . 27961 1 951 . 1 . 1 87 87 GLU CB C 13 34.992 0.015 . 1 . . . . . 87 GLU CB . 27961 1 952 . 1 . 1 87 87 GLU CG C 13 37.239 0.015 . 1 . . . . . 87 GLU CG . 27961 1 953 . 1 . 1 87 87 GLU N N 15 122.069 0.030 . 1 . . . . . 87 GLU N . 27961 1 954 . 1 . 1 88 88 GLY H H 1 9.079 0.012 . 1 . . . . . 88 GLY H . 27961 1 955 . 1 . 1 88 88 GLY HA2 H 1 3.865 0.013 . 2 . . . . . 88 GLY HA2 . 27961 1 956 . 1 . 1 88 88 GLY HA3 H 1 4.195 0.015 . 2 . . . . . 88 GLY HA3 . 27961 1 957 . 1 . 1 88 88 GLY C C 13 173.335 0.10 . 1 . . . . . 88 GLY C . 27961 1 958 . 1 . 1 88 88 GLY CA C 13 44.598 0.015 . 1 . . . . . 88 GLY CA . 27961 1 959 . 1 . 1 88 88 GLY N N 15 113.132 0.031 . 1 . . . . . 88 GLY N . 27961 1 960 . 1 . 1 90 90 PRO HA H 1 4.468 0.015 . 1 . . . . . 90 PRO HA . 27961 1 961 . 1 . 1 90 90 PRO HB2 H 1 2.014 0.014 . 2 . . . . . 90 PRO HB2 . 27961 1 962 . 1 . 1 90 90 PRO HB3 H 1 2.251 0.013 . 2 . . . . . 90 PRO HB3 . 27961 1 963 . 1 . 1 90 90 PRO HG2 H 1 2.018 0.019 . 2 . . . . . 90 PRO HG2 . 27961 1 964 . 1 . 1 90 90 PRO HG3 H 1 1.829 0.001 . 2 . . . . . 90 PRO HG3 . 27961 1 965 . 1 . 1 90 90 PRO HD2 H 1 3.649 0.005 . 1 . . . . . 90 PRO HD2 . 27961 1 966 . 1 . 1 90 90 PRO HD3 H 1 3.649 0.005 . 1 . . . . . 90 PRO HD3 . 27961 1 967 . 1 . 1 90 90 PRO C C 13 176.314 0.10 . 1 . . . . . 90 PRO C . 27961 1 968 . 1 . 1 90 90 PRO CA C 13 63.464 0.015 . 1 . . . . . 90 PRO CA . 27961 1 969 . 1 . 1 90 90 PRO CB C 13 32.364 0.015 . 1 . . . . . 90 PRO CB . 27961 1 970 . 1 . 1 90 90 PRO CG C 13 26.799 0.015 . 1 . . . . . 90 PRO CG . 27961 1 971 . 1 . 1 90 90 PRO CD C 13 51.530 0.015 . 1 . . . . . 90 PRO CD . 27961 1 972 . 1 . 1 91 91 LEU H H 1 7.546 0.005 . 1 . . . . . 91 LEU H . 27961 1 973 . 1 . 1 91 91 LEU HA H 1 4.117 0.031 . 1 . . . . . 91 LEU HA . 27961 1 974 . 1 . 1 91 91 LEU HB2 H 1 1.639 0.019 . 1 . . . . . 91 LEU HB2 . 27961 1 975 . 1 . 1 91 91 LEU HB3 H 1 1.639 0.019 . 1 . . . . . 91 LEU HB3 . 27961 1 976 . 1 . 1 91 91 LEU HG H 1 1.773 0.009 . 1 . . . . . 91 LEU HG . 27961 1 977 . 1 . 1 91 91 LEU HD11 H 1 0.687 0.014 . 2 . . . . . 91 LEU MD1 . 27961 1 978 . 1 . 1 91 91 LEU HD12 H 1 0.687 0.014 . 2 . . . . . 91 LEU MD1 . 27961 1 979 . 1 . 1 91 91 LEU HD13 H 1 0.687 0.014 . 2 . . . . . 91 LEU MD1 . 27961 1 980 . 1 . 1 91 91 LEU HD21 H 1 0.688 0.015 . 2 . . . . . 91 LEU MD2 . 27961 1 981 . 1 . 1 91 91 LEU HD22 H 1 0.688 0.015 . 2 . . . . . 91 LEU MD2 . 27961 1 982 . 1 . 1 91 91 LEU HD23 H 1 0.688 0.015 . 2 . . . . . 91 LEU MD2 . 27961 1 983 . 1 . 1 91 91 LEU C C 13 177.552 0.10 . 1 . . . . . 91 LEU C . 27961 1 984 . 1 . 1 91 91 LEU CA C 13 56.379 0.015 . 1 . . . . . 91 LEU CA . 27961 1 985 . 1 . 1 91 91 LEU CB C 13 39.781 0.015 . 1 . . . . . 91 LEU CB . 27961 1 986 . 1 . 1 91 91 LEU CG C 13 26.954 0.015 . 1 . . . . . 91 LEU CG . 27961 1 987 . 1 . 1 91 91 LEU CD1 C 13 22.538 0.015 . 2 . . . . . 91 LEU CD1 . 27961 1 988 . 1 . 1 91 91 LEU CD2 C 13 24.978 0.015 . 2 . . . . . 91 LEU CD2 . 27961 1 989 . 1 . 1 91 91 LEU N N 15 118.626 0.026 . 1 . . . . . 91 LEU N . 27961 1 990 . 1 . 1 92 92 GLY H H 1 7.721 0.005 . 1 . . . . . 92 GLY H . 27961 1 991 . 1 . 1 92 92 GLY HA2 H 1 4.079 0.014 . 2 . . . . . 92 GLY HA2 . 27961 1 992 . 1 . 1 92 92 GLY HA3 H 1 3.870 0.009 . 2 . . . . . 92 GLY HA3 . 27961 1 993 . 1 . 1 92 92 GLY C C 13 174.463 0.10 . 1 . . . . . 92 GLY C . 27961 1 994 . 1 . 1 92 92 GLY CA C 13 46.339 0.015 . 1 . . . . . 92 GLY CA . 27961 1 995 . 1 . 1 92 92 GLY N N 15 105.320 0.031 . 1 . . . . . 92 GLY N . 27961 1 996 . 1 . 1 93 93 HIS HA H 1 3.471 0.009 . 1 . . . . . 93 HIS HA . 27961 1 997 . 1 . 1 93 93 HIS HB2 H 1 3.208 0.007 . 1 . . . . . 93 HIS HB2 . 27961 1 998 . 1 . 1 93 93 HIS HB3 H 1 3.208 0.007 . 1 . . . . . 93 HIS HB3 . 27961 1 999 . 1 . 1 93 93 HIS HD2 H 1 7.049 0.001 . 1 . . . . . 93 HIS HD2 . 27961 1 1000 . 1 . 1 93 93 HIS HE1 H 1 7.870 0.005 . 1 . . . . . 93 HIS HE1 . 27961 1 1001 . 1 . 1 93 93 HIS C C 13 176.687 0.10 . 1 . . . . . 93 HIS C . 27961 1 1002 . 1 . 1 93 93 HIS CA C 13 57.197 0.015 . 1 . . . . . 93 HIS CA . 27961 1 1003 . 1 . 1 93 93 HIS CB C 13 30.973 0.015 . 1 . . . . . 93 HIS CB . 27961 1 1004 . 1 . 1 93 93 HIS CD2 C 13 119.518 0.10 . 1 . . . . . 93 HIS CD2 . 27961 1 1005 . 1 . 1 93 93 HIS CE1 C 13 138.841 0.015 . 1 . . . . . 93 HIS CE1 . 27961 1 1006 . 1 . 1 93 93 HIS ND1 N 15 215.270 0.05 . 1 . . . . . 93 HIS ND1 . 27961 1 1007 . 1 . 1 93 93 HIS NE2 N 15 166.976 0.05 . 1 . . . . . 93 HIS NE2 . 27961 1 1008 . 1 . 1 94 94 THR H H 1 7.945 0.027 . 1 . . . . . 94 THR H . 27961 1 1009 . 1 . 1 94 94 THR HA H 1 4.398 0.008 . 1 . . . . . 94 THR HA . 27961 1 1010 . 1 . 1 94 94 THR HB H 1 4.280 0.019 . 1 . . . . . 94 THR HB . 27961 1 1011 . 1 . 1 94 94 THR HG21 H 1 1.046 0.021 . 1 . . . . . 94 THR MG . 27961 1 1012 . 1 . 1 94 94 THR HG22 H 1 1.046 0.021 . 1 . . . . . 94 THR MG . 27961 1 1013 . 1 . 1 94 94 THR HG23 H 1 1.046 0.021 . 1 . . . . . 94 THR MG . 27961 1 1014 . 1 . 1 94 94 THR C C 13 174.009 0.10 . 1 . . . . . 94 THR C . 27961 1 1015 . 1 . 1 94 94 THR CA C 13 62.349 0.015 . 1 . . . . . 94 THR CA . 27961 1 1016 . 1 . 1 94 94 THR CB C 13 69.756 0.015 . 1 . . . . . 94 THR CB . 27961 1 1017 . 1 . 1 94 94 THR CG2 C 13 22.031 0.006 . 1 . . . . . 94 THR CG2 . 27961 1 1018 . 1 . 1 94 94 THR N N 15 108.766 0.05 . 1 . . . . . 94 THR N . 27961 1 1019 . 1 . 1 95 95 LEU H H 1 7.783 0.011 . 1 . . . . . 95 LEU H . 27961 1 1020 . 1 . 1 95 95 LEU HA H 1 4.944 0.015 . 1 . . . . . 95 LEU HA . 27961 1 1021 . 1 . 1 95 95 LEU HB2 H 1 1.937 0.016 . 1 . . . . . 95 LEU HB2 . 27961 1 1022 . 1 . 1 95 95 LEU HB3 H 1 1.937 0.016 . 1 . . . . . 95 LEU HB3 . 27961 1 1023 . 1 . 1 95 95 LEU HG H 1 1.387 0.013 . 1 . . . . . 95 LEU HG . 27961 1 1024 . 1 . 1 95 95 LEU HD11 H 1 1.023 0.019 . 1 . . . . . 95 LEU MD1 . 27961 1 1025 . 1 . 1 95 95 LEU HD12 H 1 1.023 0.019 . 1 . . . . . 95 LEU MD1 . 27961 1 1026 . 1 . 1 95 95 LEU HD13 H 1 1.023 0.019 . 1 . . . . . 95 LEU MD1 . 27961 1 1027 . 1 . 1 95 95 LEU HD21 H 1 1.023 0.019 . 1 . . . . . 95 LEU MD2 . 27961 1 1028 . 1 . 1 95 95 LEU HD22 H 1 1.023 0.019 . 1 . . . . . 95 LEU MD2 . 27961 1 1029 . 1 . 1 95 95 LEU HD23 H 1 1.023 0.019 . 1 . . . . . 95 LEU MD2 . 27961 1 1030 . 1 . 1 95 95 LEU C C 13 175.469 0.10 . 1 . . . . . 95 LEU C . 27961 1 1031 . 1 . 1 95 95 LEU CA C 13 54.350 0.015 . 1 . . . . . 95 LEU CA . 27961 1 1032 . 1 . 1 95 95 LEU CB C 13 44.070 0.015 . 1 . . . . . 95 LEU CB . 27961 1 1033 . 1 . 1 95 95 LEU CG C 13 25.574 0.015 . 1 . . . . . 95 LEU CG . 27961 1 1034 . 1 . 1 95 95 LEU CD1 C 13 25.574 0.001 . 1 . . . . . 95 LEU CD1 . 27961 1 1035 . 1 . 1 95 95 LEU CD2 C 13 25.574 0.001 . 1 . . . . . 95 LEU CD2 . 27961 1 1036 . 1 . 1 95 95 LEU N N 15 121.366 0.034 . 1 . . . . . 95 LEU N . 27961 1 1037 . 1 . 1 96 96 GLU H H 1 9.149 0.010 . 1 . . . . . 96 GLU H . 27961 1 1038 . 1 . 1 96 96 GLU HA H 1 4.312 0.008 . 1 . . . . . 96 GLU HA . 27961 1 1039 . 1 . 1 96 96 GLU HB2 H 1 1.897 0.009 . 1 . . . . . 96 GLU HB2 . 27961 1 1040 . 1 . 1 96 96 GLU HB3 H 1 1.897 0.009 . 1 . . . . . 96 GLU HB3 . 27961 1 1041 . 1 . 1 96 96 GLU HG2 H 1 2.130 0.013 . 1 . . . . . 96 GLU HG2 . 27961 1 1042 . 1 . 1 96 96 GLU HG3 H 1 2.130 0.013 . 1 . . . . . 96 GLU HG3 . 27961 1 1043 . 1 . 1 96 96 GLU C C 13 176.069 0.10 . 1 . . . . . 96 GLU C . 27961 1 1044 . 1 . 1 96 96 GLU CA C 13 57.169 0.015 . 1 . . . . . 96 GLU CA . 27961 1 1045 . 1 . 1 96 96 GLU CB C 13 31.807 0.015 . 1 . . . . . 96 GLU CB . 27961 1 1046 . 1 . 1 96 96 GLU CG C 13 36.216 0.015 . 1 . . . . . 96 GLU CG . 27961 1 1047 . 1 . 1 96 96 GLU N N 15 122.106 0.015 . 1 . . . . . 96 GLU N . 27961 1 1048 . 1 . 1 97 97 LYS H H 1 7.627 0.010 . 1 . . . . . 97 LYS H . 27961 1 1049 . 1 . 1 97 97 LYS HA H 1 4.703 0.005 . 1 . . . . . 97 LYS HA . 27961 1 1050 . 1 . 1 97 97 LYS C C 13 174.113 0.10 . 1 . . . . . 97 LYS C . 27961 1 1051 . 1 . 1 97 97 LYS CA C 13 56.617 0.015 . 1 . . . . . 97 LYS CA . 27961 1 1052 . 1 . 1 97 97 LYS CB C 13 35.067 0.015 . 1 . . . . . 97 LYS CB . 27961 1 1053 . 1 . 1 97 97 LYS CG C 13 24.145 0.015 . 1 . . . . . 97 LYS CG . 27961 1 1054 . 1 . 1 97 97 LYS CD C 13 29.214 0.015 . 1 . . . . . 97 LYS CD . 27961 1 1055 . 1 . 1 97 97 LYS N N 15 114.199 0.048 . 1 . . . . . 97 LYS N . 27961 1 1056 . 1 . 1 98 98 ILE H H 1 7.572 0.010 . 1 . . . . . 98 ILE H . 27961 1 1057 . 1 . 1 98 98 ILE HA H 1 4.755 0.005 . 1 . . . . . 98 ILE HA . 27961 1 1058 . 1 . 1 98 98 ILE HG21 H 1 -0.173 0.008 . 1 . . . . . 98 ILE MG . 27961 1 1059 . 1 . 1 98 98 ILE HG22 H 1 -0.173 0.008 . 1 . . . . . 98 ILE MG . 27961 1 1060 . 1 . 1 98 98 ILE HG23 H 1 -0.173 0.008 . 1 . . . . . 98 ILE MG . 27961 1 1061 . 1 . 1 98 98 ILE HD11 H 1 0.720 0.005 . 1 . . . . . 98 ILE MD . 27961 1 1062 . 1 . 1 98 98 ILE HD12 H 1 0.720 0.005 . 1 . . . . . 98 ILE MD . 27961 1 1063 . 1 . 1 98 98 ILE HD13 H 1 0.720 0.005 . 1 . . . . . 98 ILE MD . 27961 1 1064 . 1 . 1 98 98 ILE C C 13 174.937 0.10 . 1 . . . . . 98 ILE C . 27961 1 1065 . 1 . 1 98 98 ILE CA C 13 60.820 0.015 . 1 . . . . . 98 ILE CA . 27961 1 1066 . 1 . 1 98 98 ILE CB C 13 41.862 0.015 . 1 . . . . . 98 ILE CB . 27961 1 1067 . 1 . 1 98 98 ILE CG1 C 13 27.269 0.015 . 1 . . . . . 98 ILE CG1 . 27961 1 1068 . 1 . 1 98 98 ILE CG2 C 13 16.089 0.015 . 1 . . . . . 98 ILE CG2 . 27961 1 1069 . 1 . 1 98 98 ILE CD1 C 13 14.707 0.015 . 1 . . . . . 98 ILE CD1 . 27961 1 1070 . 1 . 1 98 98 ILE N N 15 121.760 0.065 . 1 . . . . . 98 ILE N . 27961 1 1071 . 1 . 1 99 99 SER H H 1 9.300 0.009 . 1 . . . . . 99 SER H . 27961 1 1072 . 1 . 1 99 99 SER HA H 1 4.999 0.021 . 1 . . . . . 99 SER HA . 27961 1 1073 . 1 . 1 99 99 SER HB2 H 1 3.889 0.013 . 1 . . . . . 99 SER HB2 . 27961 1 1074 . 1 . 1 99 99 SER HB3 H 1 3.889 0.013 . 1 . . . . . 99 SER HB3 . 27961 1 1075 . 1 . 1 99 99 SER C C 13 171.849 0.10 . 1 . . . . . 99 SER C . 27961 1 1076 . 1 . 1 99 99 SER CA C 13 56.996 0.015 . 1 . . . . . 99 SER CA . 27961 1 1077 . 1 . 1 99 99 SER CB C 13 65.257 0.015 . 1 . . . . . 99 SER CB . 27961 1 1078 . 1 . 1 99 99 SER N N 15 123.129 0.046 . 1 . . . . . 99 SER N . 27961 1 1079 . 1 . 1 100 100 TYR H H 1 9.038 0.011 . 1 . . . . . 100 TYR H . 27961 1 1080 . 1 . 1 100 100 TYR HA H 1 5.388 0.013 . 1 . . . . . 100 TYR HA . 27961 1 1081 . 1 . 1 100 100 TYR HB2 H 1 2.437 0.032 . 2 . . . . . 100 TYR HB2 . 27961 1 1082 . 1 . 1 100 100 TYR HB3 H 1 1.927 0.022 . 2 . . . . . 100 TYR HB3 . 27961 1 1083 . 1 . 1 100 100 TYR HD1 H 1 6.392 0.008 . 3 . . . . . 100 TYR HD1 . 27961 1 1084 . 1 . 1 100 100 TYR HD2 H 1 6.392 0.008 . 3 . . . . . 100 TYR HD2 . 27961 1 1085 . 1 . 1 100 100 TYR HE1 H 1 6.492 0.013 . 3 . . . . . 100 TYR HE1 . 27961 1 1086 . 1 . 1 100 100 TYR HE2 H 1 6.492 0.013 . 3 . . . . . 100 TYR HE2 . 27961 1 1087 . 1 . 1 100 100 TYR C C 13 176.085 0.10 . 1 . . . . . 100 TYR C . 27961 1 1088 . 1 . 1 100 100 TYR CA C 13 56.983 0.015 . 1 . . . . . 100 TYR CA . 27961 1 1089 . 1 . 1 100 100 TYR CB C 13 42.419 0.015 . 1 . . . . . 100 TYR CB . 27961 1 1090 . 1 . 1 100 100 TYR CD1 C 13 133.165 0.015 . 1 . . . . . 100 TYR CD1 . 27961 1 1091 . 1 . 1 100 100 TYR CD2 C 13 133.165 0.015 . 1 . . . . . 100 TYR CD2 . 27961 1 1092 . 1 . 1 100 100 TYR CE1 C 13 117.538 0.015 . 1 . . . . . 100 TYR CE1 . 27961 1 1093 . 1 . 1 100 100 TYR CE2 C 13 117.538 0.015 . 1 . . . . . 100 TYR CE2 . 27961 1 1094 . 1 . 1 100 100 TYR N N 15 121.407 0.043 . 1 . . . . . 100 TYR N . 27961 1 1095 . 1 . 1 101 101 GLU H H 1 8.921 0.010 . 1 . . . . . 101 GLU H . 27961 1 1096 . 1 . 1 101 101 GLU HA H 1 5.154 0.006 . 1 . . . . . 101 GLU HA . 27961 1 1097 . 1 . 1 101 101 GLU HB2 H 1 2.028 0.014 . 2 . . . . . 101 GLU HB2 . 27961 1 1098 . 1 . 1 101 101 GLU HB3 H 1 2.027 0.013 . 2 . . . . . 101 GLU HB3 . 27961 1 1099 . 1 . 1 101 101 GLU HG2 H 1 2.148 0.006 . 1 . . . . . 101 GLU HG2 . 27961 1 1100 . 1 . 1 101 101 GLU HG3 H 1 2.148 0.006 . 1 . . . . . 101 GLU HG3 . 27961 1 1101 . 1 . 1 101 101 GLU C C 13 174.803 0.10 . 1 . . . . . 101 GLU C . 27961 1 1102 . 1 . 1 101 101 GLU CA C 13 55.296 0.015 . 1 . . . . . 101 GLU CA . 27961 1 1103 . 1 . 1 101 101 GLU CB C 13 32.736 0.015 . 1 . . . . . 101 GLU CB . 27961 1 1104 . 1 . 1 101 101 GLU CG C 13 36.700 0.015 . 1 . . . . . 101 GLU CG . 27961 1 1105 . 1 . 1 101 101 GLU N N 15 122.199 0.003 . 1 . . . . . 101 GLU N . 27961 1 1106 . 1 . 1 102 102 ILE H H 1 9.708 0.015 . 1 . . . . . 102 ILE H . 27961 1 1107 . 1 . 1 102 102 ILE HA H 1 4.977 0.011 . 1 . . . . . 102 ILE HA . 27961 1 1108 . 1 . 1 102 102 ILE HB H 1 2.280 0.014 . 1 . . . . . 102 ILE HB . 27961 1 1109 . 1 . 1 102 102 ILE HG12 H 1 1.391 0.011 . 1 . . . . . 102 ILE HG12 . 27961 1 1110 . 1 . 1 102 102 ILE HG13 H 1 1.391 0.011 . 1 . . . . . 102 ILE HG13 . 27961 1 1111 . 1 . 1 102 102 ILE HG21 H 1 1.008 0.012 . 1 . . . . . 102 ILE MG . 27961 1 1112 . 1 . 1 102 102 ILE HG22 H 1 1.008 0.012 . 1 . . . . . 102 ILE MG . 27961 1 1113 . 1 . 1 102 102 ILE HG23 H 1 1.008 0.012 . 1 . . . . . 102 ILE MG . 27961 1 1114 . 1 . 1 102 102 ILE HD11 H 1 0.996 0.010 . 1 . . . . . 102 ILE MD . 27961 1 1115 . 1 . 1 102 102 ILE HD12 H 1 0.996 0.010 . 1 . . . . . 102 ILE MD . 27961 1 1116 . 1 . 1 102 102 ILE HD13 H 1 0.996 0.010 . 1 . . . . . 102 ILE MD . 27961 1 1117 . 1 . 1 102 102 ILE C C 13 174.149 0.10 . 1 . . . . . 102 ILE C . 27961 1 1118 . 1 . 1 102 102 ILE CA C 13 60.729 0.015 . 1 . . . . . 102 ILE CA . 27961 1 1119 . 1 . 1 102 102 ILE CB C 13 40.296 0.015 . 1 . . . . . 102 ILE CB . 27961 1 1120 . 1 . 1 102 102 ILE CG1 C 13 28.596 0.015 . 1 . . . . . 102 ILE CG1 . 27961 1 1121 . 1 . 1 102 102 ILE CG2 C 13 17.645 0.015 . 1 . . . . . 102 ILE CG2 . 27961 1 1122 . 1 . 1 102 102 ILE CD1 C 13 14.588 0.015 . 1 . . . . . 102 ILE CD1 . 27961 1 1123 . 1 . 1 102 102 ILE N N 15 128.101 0.022 . 1 . . . . . 102 ILE N . 27961 1 1124 . 1 . 1 103 103 LYS H H 1 9.073 0.010 . 1 . . . . . 103 LYS H . 27961 1 1125 . 1 . 1 103 103 LYS HA H 1 5.583 0.009 . 1 . . . . . 103 LYS HA . 27961 1 1126 . 1 . 1 103 103 LYS HB2 H 1 2.022 0.012 . 2 . . . . . 103 LYS HB2 . 27961 1 1127 . 1 . 1 103 103 LYS HB3 H 1 1.790 0.020 . 2 . . . . . 103 LYS HB3 . 27961 1 1128 . 1 . 1 103 103 LYS HG2 H 1 1.426 0.009 . 1 . . . . . 103 LYS HG2 . 27961 1 1129 . 1 . 1 103 103 LYS HG3 H 1 1.426 0.009 . 1 . . . . . 103 LYS HG3 . 27961 1 1130 . 1 . 1 103 103 LYS HD2 H 1 1.546 0.016 . 1 . . . . . 103 LYS HD2 . 27961 1 1131 . 1 . 1 103 103 LYS HD3 H 1 1.546 0.016 . 1 . . . . . 103 LYS HD3 . 27961 1 1132 . 1 . 1 103 103 LYS HE2 H 1 2.979 0.005 . 1 . . . . . 103 LYS HE2 . 27961 1 1133 . 1 . 1 103 103 LYS HE3 H 1 2.979 0.005 . 1 . . . . . 103 LYS HE3 . 27961 1 1134 . 1 . 1 103 103 LYS C C 13 175.698 0.10 . 1 . . . . . 103 LYS C . 27961 1 1135 . 1 . 1 103 103 LYS CA C 13 54.587 0.015 . 1 . . . . . 103 LYS CA . 27961 1 1136 . 1 . 1 103 103 LYS CB C 13 36.212 0.015 . 1 . . . . . 103 LYS CB . 27961 1 1137 . 1 . 1 103 103 LYS CG C 13 25.352 0.015 . 1 . . . . . 103 LYS CG . 27961 1 1138 . 1 . 1 103 103 LYS CD C 13 29.334 0.015 . 1 . . . . . 103 LYS CD . 27961 1 1139 . 1 . 1 103 103 LYS CE C 13 42.213 0.015 . 1 . . . . . 103 LYS CE . 27961 1 1140 . 1 . 1 103 103 LYS N N 15 127.359 0.017 . 1 . . . . . 103 LYS N . 27961 1 1141 . 1 . 1 104 104 MET H H 1 8.648 0.010 . 1 . . . . . 104 MET H . 27961 1 1142 . 1 . 1 104 104 MET HA H 1 5.520 0.009 . 1 . . . . . 104 MET HA . 27961 1 1143 . 1 . 1 104 104 MET HB2 H 1 2.030 0.019 . 1 . . . . . 104 MET HB2 . 27961 1 1144 . 1 . 1 104 104 MET HB3 H 1 2.030 0.019 . 1 . . . . . 104 MET HB3 . 27961 1 1145 . 1 . 1 104 104 MET HG2 H 1 2.474 0.005 . 2 . . . . . 104 MET HG2 . 27961 1 1146 . 1 . 1 104 104 MET HG3 H 1 2.690 0.005 . 2 . . . . . 104 MET HG3 . 27961 1 1147 . 1 . 1 104 104 MET C C 13 173.838 0.10 . 1 . . . . . 104 MET C . 27961 1 1148 . 1 . 1 104 104 MET CA C 13 54.165 0.015 . 1 . . . . . 104 MET CA . 27961 1 1149 . 1 . 1 104 104 MET CB C 13 34.916 0.015 . 1 . . . . . 104 MET CB . 27961 1 1150 . 1 . 1 104 104 MET CG C 13 33.443 0.015 . 1 . . . . . 104 MET CG . 27961 1 1151 . 1 . 1 104 104 MET N N 15 122.730 0.025 . 1 . . . . . 104 MET N . 27961 1 1152 . 1 . 1 105 105 ALA H H 1 8.620 0.012 . 1 . . . . . 105 ALA H . 27961 1 1153 . 1 . 1 105 105 ALA HA H 1 4.721 0.005 . 1 . . . . . 105 ALA HA . 27961 1 1154 . 1 . 1 105 105 ALA HB1 H 1 1.409 0.018 . 1 . . . . . 105 ALA MB . 27961 1 1155 . 1 . 1 105 105 ALA HB2 H 1 1.409 0.018 . 1 . . . . . 105 ALA MB . 27961 1 1156 . 1 . 1 105 105 ALA HB3 H 1 1.409 0.018 . 1 . . . . . 105 ALA MB . 27961 1 1157 . 1 . 1 105 105 ALA C C 13 176.022 0.10 . 1 . . . . . 105 ALA C . 27961 1 1158 . 1 . 1 105 105 ALA CA C 13 50.438 0.015 . 1 . . . . . 105 ALA CA . 27961 1 1159 . 1 . 1 105 105 ALA CB C 13 22.851 0.015 . 1 . . . . . 105 ALA CB . 27961 1 1160 . 1 . 1 105 105 ALA N N 15 121.664 0.036 . 1 . . . . . 105 ALA N . 27961 1 1161 . 1 . 1 106 106 ALA H H 1 8.858 0.007 . 1 . . . . . 106 ALA H . 27961 1 1162 . 1 . 1 106 106 ALA HA H 1 4.286 0.013 . 1 . . . . . 106 ALA HA . 27961 1 1163 . 1 . 1 106 106 ALA HB1 H 1 1.404 0.013 . 1 . . . . . 106 ALA MB . 27961 1 1164 . 1 . 1 106 106 ALA HB2 H 1 1.404 0.013 . 1 . . . . . 106 ALA MB . 27961 1 1165 . 1 . 1 106 106 ALA HB3 H 1 1.404 0.013 . 1 . . . . . 106 ALA MB . 27961 1 1166 . 1 . 1 106 106 ALA C C 13 177.319 0.10 . 1 . . . . . 106 ALA C . 27961 1 1167 . 1 . 1 106 106 ALA CA C 13 52.425 0.015 . 1 . . . . . 106 ALA CA . 27961 1 1168 . 1 . 1 106 106 ALA CB C 13 18.433 0.018 . 1 . . . . . 106 ALA CB . 27961 1 1169 . 1 . 1 106 106 ALA N N 15 123.174 0.003 . 1 . . . . . 106 ALA N . 27961 1 1170 . 1 . 1 107 107 ALA H H 1 7.978 0.006 . 1 . . . . . 107 ALA H . 27961 1 1171 . 1 . 1 107 107 ALA HA H 1 4.289 0.015 . 1 . . . . . 107 ALA HA . 27961 1 1172 . 1 . 1 107 107 ALA HB1 H 1 1.174 0.013 . 1 . . . . . 107 ALA MB . 27961 1 1173 . 1 . 1 107 107 ALA HB2 H 1 1.174 0.013 . 1 . . . . . 107 ALA MB . 27961 1 1174 . 1 . 1 107 107 ALA HB3 H 1 1.174 0.013 . 1 . . . . . 107 ALA MB . 27961 1 1175 . 1 . 1 107 107 ALA C C 13 176.462 0.10 . 1 . . . . . 107 ALA C . 27961 1 1176 . 1 . 1 107 107 ALA CA C 13 50.227 0.015 . 1 . . . . . 107 ALA CA . 27961 1 1177 . 1 . 1 107 107 ALA CB C 13 18.167 0.024 . 1 . . . . . 107 ALA CB . 27961 1 1178 . 1 . 1 107 107 ALA N N 15 126.100 0.024 . 1 . . . . . 107 ALA N . 27961 1 1179 . 1 . 1 108 108 PRO HA H 1 4.261 0.015 . 1 . . . . . 108 PRO HA . 27961 1 1180 . 1 . 1 108 108 PRO HB2 H 1 2.223 0.013 . 1 . . . . . 108 PRO HB2 . 27961 1 1181 . 1 . 1 108 108 PRO HB3 H 1 2.223 0.013 . 1 . . . . . 108 PRO HB3 . 27961 1 1182 . 1 . 1 108 108 PRO HG2 H 1 2.027 0.011 . 1 . . . . . 108 PRO HG2 . 27961 1 1183 . 1 . 1 108 108 PRO HG3 H 1 2.027 0.011 . 1 . . . . . 108 PRO HG3 . 27961 1 1184 . 1 . 1 108 108 PRO HD2 H 1 3.762 0.013 . 1 . . . . . 108 PRO HD2 . 27961 1 1185 . 1 . 1 108 108 PRO HD3 H 1 3.762 0.013 . 1 . . . . . 108 PRO HD3 . 27961 1 1186 . 1 . 1 108 108 PRO C C 13 176.182 0.10 . 1 . . . . . 108 PRO C . 27961 1 1187 . 1 . 1 108 108 PRO CA C 13 64.675 0.015 . 1 . . . . . 108 PRO CA . 27961 1 1188 . 1 . 1 108 108 PRO CB C 13 31.684 0.015 . 1 . . . . . 108 PRO CB . 27961 1 1189 . 1 . 1 108 108 PRO CG C 13 27.283 0.015 . 1 . . . . . 108 PRO CG . 27961 1 1190 . 1 . 1 108 108 PRO CD C 13 50.348 0.015 . 1 . . . . . 108 PRO CD . 27961 1 1191 . 1 . 1 109 109 HIS H H 1 7.516 0.008 . 1 . . . . . 109 HIS H . 27961 1 1192 . 1 . 1 109 109 HIS HA H 1 5.123 0.000 . 1 . . . . . 109 HIS HA . 27961 1 1193 . 1 . 1 109 109 HIS HB2 H 1 3.039 0.012 . 1 . . . . . 109 HIS HB2 . 27961 1 1194 . 1 . 1 109 109 HIS HB3 H 1 3.039 0.012 . 1 . . . . . 109 HIS HB3 . 27961 1 1195 . 1 . 1 109 109 HIS HD2 H 1 6.990 0.006 . 1 . . . . . 109 HIS HD2 . 27961 1 1196 . 1 . 1 109 109 HIS HE1 H 1 7.861 0.005 . 1 . . . . . 109 HIS HE1 . 27961 1 1197 . 1 . 1 109 109 HIS C C 13 175.890 0.10 . 1 . . . . . 109 HIS C . 27961 1 1198 . 1 . 1 109 109 HIS CA C 13 55.421 0.015 . 1 . . . . . 109 HIS CA . 27961 1 1199 . 1 . 1 109 109 HIS CB C 13 32.083 0.015 . 1 . . . . . 109 HIS CB . 27961 1 1200 . 1 . 1 109 109 HIS CD2 C 13 120.243 0.10 . 1 . . . . . 109 HIS CD2 . 27961 1 1201 . 1 . 1 109 109 HIS CE1 C 13 138.781 0.015 . 1 . . . . . 109 HIS CE1 . 27961 1 1202 . 1 . 1 109 109 HIS N N 15 113.056 0.017 . 1 . . . . . 109 HIS N . 27961 1 1203 . 1 . 1 109 109 HIS ND1 N 15 208.913 0.05 . 1 . . . . . 109 HIS ND1 . 27961 1 1204 . 1 . 1 109 109 HIS NE2 N 15 170.374 0.05 . 1 . . . . . 109 HIS NE2 . 27961 1 1205 . 1 . 1 110 110 GLY HA2 H 1 3.758 0.015 . 2 . . . . . 110 GLY HA2 . 27961 1 1206 . 1 . 1 110 110 GLY HA3 H 1 4.238 0.022 . 2 . . . . . 110 GLY HA3 . 27961 1 1207 . 1 . 1 110 110 GLY C C 13 175.305 0.10 . 1 . . . . . 110 GLY C . 27961 1 1208 . 1 . 1 110 110 GLY CA C 13 45.736 0.015 . 1 . . . . . 110 GLY CA . 27961 1 1209 . 1 . 1 111 111 GLY H H 1 8.376 0.010 . 1 . . . . . 111 GLY H . 27961 1 1210 . 1 . 1 111 111 GLY HA2 H 1 4.011 0.016 . 1 . . . . . 111 GLY HA2 . 27961 1 1211 . 1 . 1 111 111 GLY HA3 H 1 4.011 0.016 . 1 . . . . . 111 GLY HA3 . 27961 1 1212 . 1 . 1 111 111 GLY C C 13 174.046 0.10 . 1 . . . . . 111 GLY C . 27961 1 1213 . 1 . 1 111 111 GLY CA C 13 45.838 0.015 . 1 . . . . . 111 GLY CA . 27961 1 1214 . 1 . 1 111 111 GLY N N 15 108.217 0.045 . 1 . . . . . 111 GLY N . 27961 1 1215 . 1 . 1 112 112 GLY H H 1 8.063 0.007 . 1 . . . . . 112 GLY H . 27961 1 1216 . 1 . 1 112 112 GLY HA2 H 1 3.777 0.013 . 2 . . . . . 112 GLY HA2 . 27961 1 1217 . 1 . 1 112 112 GLY HA3 H 1 4.150 0.010 . 2 . . . . . 112 GLY HA3 . 27961 1 1218 . 1 . 1 112 112 GLY C C 13 174.923 0.10 . 1 . . . . . 112 GLY C . 27961 1 1219 . 1 . 1 112 112 GLY CA C 13 44.155 0.015 . 1 . . . . . 112 GLY CA . 27961 1 1220 . 1 . 1 112 112 GLY N N 15 107.214 0.028 . 1 . . . . . 112 GLY N . 27961 1 1221 . 1 . 1 113 113 SER H H 1 8.988 0.008 . 1 . . . . . 113 SER H . 27961 1 1222 . 1 . 1 113 113 SER HA H 1 5.468 0.012 . 1 . . . . . 113 SER HA . 27961 1 1223 . 1 . 1 113 113 SER HB2 H 1 3.486 0.011 . 2 . . . . . 113 SER HB2 . 27961 1 1224 . 1 . 1 113 113 SER HB3 H 1 3.362 0.016 . 2 . . . . . 113 SER HB3 . 27961 1 1225 . 1 . 1 113 113 SER C C 13 173.796 0.10 . 1 . . . . . 113 SER C . 27961 1 1226 . 1 . 1 113 113 SER CA C 13 58.812 0.015 . 1 . . . . . 113 SER CA . 27961 1 1227 . 1 . 1 113 113 SER CB C 13 67.839 0.015 . 1 . . . . . 113 SER CB . 27961 1 1228 . 1 . 1 113 113 SER N N 15 118.060 0.021 . 1 . . . . . 113 SER N . 27961 1 1229 . 1 . 1 114 114 ILE H H 1 9.059 0.012 . 1 . . . . . 114 ILE H . 27961 1 1230 . 1 . 1 114 114 ILE HA H 1 4.524 0.013 . 1 . . . . . 114 ILE HA . 27961 1 1231 . 1 . 1 114 114 ILE HB H 1 1.657 0.017 . 1 . . . . . 114 ILE HB . 27961 1 1232 . 1 . 1 114 114 ILE HG12 H 1 1.028 0.008 . 1 . . . . . 114 ILE HG12 . 27961 1 1233 . 1 . 1 114 114 ILE HG13 H 1 1.028 0.008 . 1 . . . . . 114 ILE HG13 . 27961 1 1234 . 1 . 1 114 114 ILE HG21 H 1 1.022 0.009 . 1 . . . . . 114 ILE MG . 27961 1 1235 . 1 . 1 114 114 ILE HG22 H 1 1.022 0.009 . 1 . . . . . 114 ILE MG . 27961 1 1236 . 1 . 1 114 114 ILE HG23 H 1 1.022 0.009 . 1 . . . . . 114 ILE MG . 27961 1 1237 . 1 . 1 114 114 ILE HD11 H 1 0.855 0.011 . 1 . . . . . 114 ILE MD . 27961 1 1238 . 1 . 1 114 114 ILE HD12 H 1 0.855 0.011 . 1 . . . . . 114 ILE MD . 27961 1 1239 . 1 . 1 114 114 ILE HD13 H 1 0.855 0.011 . 1 . . . . . 114 ILE MD . 27961 1 1240 . 1 . 1 114 114 ILE C C 13 174.753 0.10 . 1 . . . . . 114 ILE C . 27961 1 1241 . 1 . 1 114 114 ILE CA C 13 60.525 0.015 . 1 . . . . . 114 ILE CA . 27961 1 1242 . 1 . 1 114 114 ILE CB C 13 40.039 0.015 . 1 . . . . . 114 ILE CB . 27961 1 1243 . 1 . 1 114 114 ILE CG1 C 13 27.352 0.015 . 1 . . . . . 114 ILE CG1 . 27961 1 1244 . 1 . 1 114 114 ILE CG2 C 13 17.752 0.032 . 1 . . . . . 114 ILE CG2 . 27961 1 1245 . 1 . 1 114 114 ILE CD1 C 13 13.104 0.041 . 1 . . . . . 114 ILE CD1 . 27961 1 1246 . 1 . 1 114 114 ILE N N 15 122.275 0.024 . 1 . . . . . 114 ILE N . 27961 1 1247 . 1 . 1 115 115 LEU H H 1 9.129 0.005 . 1 . . . . . 115 LEU H . 27961 1 1248 . 1 . 1 115 115 LEU HA H 1 5.035 0.013 . 1 . . . . . 115 LEU HA . 27961 1 1249 . 1 . 1 115 115 LEU HB2 H 1 1.181 0.010 . 1 . . . . . 115 LEU HB2 . 27961 1 1250 . 1 . 1 115 115 LEU HB3 H 1 1.181 0.010 . 1 . . . . . 115 LEU HB3 . 27961 1 1251 . 1 . 1 115 115 LEU HG H 1 1.184 0.010 . 1 . . . . . 115 LEU HG . 27961 1 1252 . 1 . 1 115 115 LEU HD11 H 1 0.419 0.015 . 1 . . . . . 115 LEU MD1 . 27961 1 1253 . 1 . 1 115 115 LEU HD12 H 1 0.419 0.015 . 1 . . . . . 115 LEU MD1 . 27961 1 1254 . 1 . 1 115 115 LEU HD13 H 1 0.419 0.015 . 1 . . . . . 115 LEU MD1 . 27961 1 1255 . 1 . 1 115 115 LEU HD21 H 1 0.419 0.015 . 1 . . . . . 115 LEU MD2 . 27961 1 1256 . 1 . 1 115 115 LEU HD22 H 1 0.419 0.015 . 1 . . . . . 115 LEU MD2 . 27961 1 1257 . 1 . 1 115 115 LEU HD23 H 1 0.419 0.015 . 1 . . . . . 115 LEU MD2 . 27961 1 1258 . 1 . 1 115 115 LEU C C 13 174.596 0.10 . 1 . . . . . 115 LEU C . 27961 1 1259 . 1 . 1 115 115 LEU CA C 13 54.106 0.015 . 1 . . . . . 115 LEU CA . 27961 1 1260 . 1 . 1 115 115 LEU CB C 13 44.197 0.015 . 1 . . . . . 115 LEU CB . 27961 1 1261 . 1 . 1 115 115 LEU CG C 13 28.512 0.015 . 1 . . . . . 115 LEU CG . 27961 1 1262 . 1 . 1 115 115 LEU CD1 C 13 25.037 0.015 . 1 . . . . . 115 LEU CD1 . 27961 1 1263 . 1 . 1 115 115 LEU CD2 C 13 25.037 0.015 . 1 . . . . . 115 LEU CD2 . 27961 1 1264 . 1 . 1 115 115 LEU N N 15 128.526 0.017 . 1 . . . . . 115 LEU N . 27961 1 1265 . 1 . 1 116 116 LYS H H 1 8.954 0.012 . 1 . . . . . 116 LYS H . 27961 1 1266 . 1 . 1 116 116 LYS HA H 1 5.039 0.015 . 1 . . . . . 116 LYS HA . 27961 1 1267 . 1 . 1 116 116 LYS HB2 H 1 1.789 0.018 . 1 . . . . . 116 LYS HB2 . 27961 1 1268 . 1 . 1 116 116 LYS HB3 H 1 1.789 0.018 . 1 . . . . . 116 LYS HB3 . 27961 1 1269 . 1 . 1 116 116 LYS HG2 H 1 1.406 0.019 . 1 . . . . . 116 LYS HG2 . 27961 1 1270 . 1 . 1 116 116 LYS HG3 H 1 1.406 0.019 . 1 . . . . . 116 LYS HG3 . 27961 1 1271 . 1 . 1 116 116 LYS HD2 H 1 1.622 0.022 . 1 . . . . . 116 LYS HD2 . 27961 1 1272 . 1 . 1 116 116 LYS HD3 H 1 1.622 0.022 . 1 . . . . . 116 LYS HD3 . 27961 1 1273 . 1 . 1 116 116 LYS HE2 H 1 2.839 0.005 . 1 . . . . . 116 LYS HE2 . 27961 1 1274 . 1 . 1 116 116 LYS HE3 H 1 2.839 0.005 . 1 . . . . . 116 LYS HE3 . 27961 1 1275 . 1 . 1 116 116 LYS C C 13 175.489 0.10 . 1 . . . . . 116 LYS C . 27961 1 1276 . 1 . 1 116 116 LYS CA C 13 55.084 0.015 . 1 . . . . . 116 LYS CA . 27961 1 1277 . 1 . 1 116 116 LYS CB C 13 34.860 0.015 . 1 . . . . . 116 LYS CB . 27961 1 1278 . 1 . 1 116 116 LYS CG C 13 24.945 0.015 . 1 . . . . . 116 LYS CG . 27961 1 1279 . 1 . 1 116 116 LYS CD C 13 29.173 0.015 . 1 . . . . . 116 LYS CD . 27961 1 1280 . 1 . 1 116 116 LYS CE C 13 41.955 0.015 . 1 . . . . . 116 LYS CE . 27961 1 1281 . 1 . 1 116 116 LYS N N 15 124.417 0.014 . 1 . . . . . 116 LYS N . 27961 1 1282 . 1 . 1 117 117 ILE H H 1 8.860 0.007 . 1 . . . . . 117 ILE H . 27961 1 1283 . 1 . 1 117 117 ILE HA H 1 5.203 0.015 . 1 . . . . . 117 ILE HA . 27961 1 1284 . 1 . 1 117 117 ILE HB H 1 1.809 0.009 . 1 . . . . . 117 ILE HB . 27961 1 1285 . 1 . 1 117 117 ILE HG12 H 1 0.854 0.008 . 1 . . . . . 117 ILE HG12 . 27961 1 1286 . 1 . 1 117 117 ILE HG13 H 1 0.854 0.008 . 1 . . . . . 117 ILE HG13 . 27961 1 1287 . 1 . 1 117 117 ILE HG21 H 1 1.040 0.009 . 1 . . . . . 117 ILE MG . 27961 1 1288 . 1 . 1 117 117 ILE HG22 H 1 1.040 0.009 . 1 . . . . . 117 ILE MG . 27961 1 1289 . 1 . 1 117 117 ILE HG23 H 1 1.040 0.009 . 1 . . . . . 117 ILE MG . 27961 1 1290 . 1 . 1 117 117 ILE HD11 H 1 1.005 0.016 . 1 . . . . . 117 ILE MD . 27961 1 1291 . 1 . 1 117 117 ILE HD12 H 1 1.005 0.016 . 1 . . . . . 117 ILE MD . 27961 1 1292 . 1 . 1 117 117 ILE HD13 H 1 1.005 0.016 . 1 . . . . . 117 ILE MD . 27961 1 1293 . 1 . 1 117 117 ILE C C 13 176.356 0.10 . 1 . . . . . 117 ILE C . 27961 1 1294 . 1 . 1 117 117 ILE CA C 13 60.373 0.015 . 1 . . . . . 117 ILE CA . 27961 1 1295 . 1 . 1 117 117 ILE CB C 13 41.101 0.015 . 1 . . . . . 117 ILE CB . 27961 1 1296 . 1 . 1 117 117 ILE CG1 C 13 27.988 0.015 . 1 . . . . . 117 ILE CG1 . 27961 1 1297 . 1 . 1 117 117 ILE CG2 C 13 17.463 0.015 . 1 . . . . . 117 ILE CG2 . 27961 1 1298 . 1 . 1 117 117 ILE CD1 C 13 13.766 0.015 . 1 . . . . . 117 ILE CD1 . 27961 1 1299 . 1 . 1 117 117 ILE N N 15 125.558 0.013 . 1 . . . . . 117 ILE N . 27961 1 1300 . 1 . 1 118 118 THR H H 1 9.559 0.006 . 1 . . . . . 118 THR H . 27961 1 1301 . 1 . 1 118 118 THR HA H 1 5.279 0.015 . 1 . . . . . 118 THR HA . 27961 1 1302 . 1 . 1 118 118 THR HB H 1 4.050 0.027 . 1 . . . . . 118 THR HB . 27961 1 1303 . 1 . 1 118 118 THR HG21 H 1 1.147 0.013 . 1 . . . . . 118 THR MG . 27961 1 1304 . 1 . 1 118 118 THR HG22 H 1 1.147 0.013 . 1 . . . . . 118 THR MG . 27961 1 1305 . 1 . 1 118 118 THR HG23 H 1 1.147 0.013 . 1 . . . . . 118 THR MG . 27961 1 1306 . 1 . 1 118 118 THR C C 13 173.968 0.10 . 1 . . . . . 118 THR C . 27961 1 1307 . 1 . 1 118 118 THR CA C 13 61.853 0.015 . 1 . . . . . 118 THR CA . 27961 1 1308 . 1 . 1 118 118 THR CB C 13 69.818 0.015 . 1 . . . . . 118 THR CB . 27961 1 1309 . 1 . 1 118 118 THR CG2 C 13 21.433 0.023 . 1 . . . . . 118 THR CG2 . 27961 1 1310 . 1 . 1 118 118 THR N N 15 128.000 0.018 . 1 . . . . . 118 THR N . 27961 1 1311 . 1 . 1 119 119 SER H H 1 9.284 0.010 . 1 . . . . . 119 SER H . 27961 1 1312 . 1 . 1 119 119 SER HA H 1 4.991 0.018 . 1 . . . . . 119 SER HA . 27961 1 1313 . 1 . 1 119 119 SER HB2 H 1 3.503 0.011 . 1 . . . . . 119 SER HB2 . 27961 1 1314 . 1 . 1 119 119 SER HB3 H 1 3.503 0.011 . 1 . . . . . 119 SER HB3 . 27961 1 1315 . 1 . 1 119 119 SER C C 13 172.720 0.10 . 1 . . . . . 119 SER C . 27961 1 1316 . 1 . 1 119 119 SER CA C 13 56.617 0.006 . 1 . . . . . 119 SER CA . 27961 1 1317 . 1 . 1 119 119 SER CB C 13 65.181 0.042 . 1 . . . . . 119 SER CB . 27961 1 1318 . 1 . 1 119 119 SER N N 15 123.353 0.033 . 1 . . . . . 119 SER N . 27961 1 1319 . 1 . 1 120 120 LYS H H 1 9.027 0.012 . 1 . . . . . 120 LYS H . 27961 1 1320 . 1 . 1 120 120 LYS HA H 1 5.134 0.015 . 1 . . . . . 120 LYS HA . 27961 1 1321 . 1 . 1 120 120 LYS HB2 H 1 1.245 0.022 . 2 . . . . . 120 LYS HB2 . 27961 1 1322 . 1 . 1 120 120 LYS HB3 H 1 1.631 0.010 . 2 . . . . . 120 LYS HB3 . 27961 1 1323 . 1 . 1 120 120 LYS HG2 H 1 1.150 0.012 . 1 . . . . . 120 LYS HG2 . 27961 1 1324 . 1 . 1 120 120 LYS HG3 H 1 1.150 0.012 . 1 . . . . . 120 LYS HG3 . 27961 1 1325 . 1 . 1 120 120 LYS HD2 H 1 1.633 0.012 . 1 . . . . . 120 LYS HD2 . 27961 1 1326 . 1 . 1 120 120 LYS HD3 H 1 1.633 0.012 . 1 . . . . . 120 LYS HD3 . 27961 1 1327 . 1 . 1 120 120 LYS HE2 H 1 2.901 0.009 . 1 . . . . . 120 LYS HE2 . 27961 1 1328 . 1 . 1 120 120 LYS HE3 H 1 2.901 0.009 . 1 . . . . . 120 LYS HE3 . 27961 1 1329 . 1 . 1 120 120 LYS C C 13 174.401 0.10 . 1 . . . . . 120 LYS C . 27961 1 1330 . 1 . 1 120 120 LYS CA C 13 54.909 0.015 . 1 . . . . . 120 LYS CA . 27961 1 1331 . 1 . 1 120 120 LYS CB C 13 34.433 0.015 . 1 . . . . . 120 LYS CB . 27961 1 1332 . 1 . 1 120 120 LYS CG C 13 24.880 0.015 . 1 . . . . . 120 LYS CG . 27961 1 1333 . 1 . 1 120 120 LYS CD C 13 29.305 0.015 . 1 . . . . . 120 LYS CD . 27961 1 1334 . 1 . 1 120 120 LYS CE C 13 41.921 0.015 . 1 . . . . . 120 LYS CE . 27961 1 1335 . 1 . 1 120 120 LYS N N 15 123.392 0.072 . 1 . . . . . 120 LYS N . 27961 1 1336 . 1 . 1 121 121 TYR H H 1 9.604 0.008 . 1 . . . . . 121 TYR H . 27961 1 1337 . 1 . 1 121 121 TYR HA H 1 4.503 0.013 . 1 . . . . . 121 TYR HA . 27961 1 1338 . 1 . 1 121 121 TYR HB2 H 1 3.254 0.016 . 2 . . . . . 121 TYR HB2 . 27961 1 1339 . 1 . 1 121 121 TYR HB3 H 1 2.743 0.024 . 2 . . . . . 121 TYR HB3 . 27961 1 1340 . 1 . 1 121 121 TYR HD1 H 1 7.142 0.007 . 1 . . . . . 121 TYR HD1 . 27961 1 1341 . 1 . 1 121 121 TYR HD2 H 1 7.142 0.007 . 1 . . . . . 121 TYR HD2 . 27961 1 1342 . 1 . 1 121 121 TYR HE1 H 1 6.759 0.016 . 1 . . . . . 121 TYR HE1 . 27961 1 1343 . 1 . 1 121 121 TYR HE2 H 1 6.759 0.016 . 1 . . . . . 121 TYR HE2 . 27961 1 1344 . 1 . 1 121 121 TYR C C 13 174.708 0.10 . 1 . . . . . 121 TYR C . 27961 1 1345 . 1 . 1 121 121 TYR CA C 13 57.891 0.015 . 1 . . . . . 121 TYR CA . 27961 1 1346 . 1 . 1 121 121 TYR CB C 13 39.855 0.015 . 1 . . . . . 121 TYR CB . 27961 1 1347 . 1 . 1 121 121 TYR CD1 C 13 133.492 0.10 . 1 . . . . . 121 TYR CD1 . 27961 1 1348 . 1 . 1 121 121 TYR CD2 C 13 133.492 0.10 . 1 . . . . . 121 TYR CD2 . 27961 1 1349 . 1 . 1 121 121 TYR CE1 C 13 117.898 0.10 . 1 . . . . . 121 TYR CE1 . 27961 1 1350 . 1 . 1 121 121 TYR CE2 C 13 117.898 0.10 . 1 . . . . . 121 TYR CE2 . 27961 1 1351 . 1 . 1 121 121 TYR N N 15 125.534 0.018 . 1 . . . . . 121 TYR N . 27961 1 1352 . 1 . 1 122 122 HIS H H 1 8.552 0.011 . 1 . . . . . 122 HIS H . 27961 1 1353 . 1 . 1 122 122 HIS HA H 1 5.324 0.007 . 1 . . . . . 122 HIS HA . 27961 1 1354 . 1 . 1 122 122 HIS HB2 H 1 3.253 0.013 . 1 . . . . . 122 HIS HB2 . 27961 1 1355 . 1 . 1 122 122 HIS HB3 H 1 3.253 0.013 . 1 . . . . . 122 HIS HB3 . 27961 1 1356 . 1 . 1 122 122 HIS HD2 H 1 6.696 0.014 . 1 . . . . . 122 HIS HD2 . 27961 1 1357 . 1 . 1 122 122 HIS HE1 H 1 7.570 0.015 . 1 . . . . . 122 HIS HE1 . 27961 1 1358 . 1 . 1 122 122 HIS C C 13 175.857 0.10 . 1 . . . . . 122 HIS C . 27961 1 1359 . 1 . 1 122 122 HIS CA C 13 54.914 0.015 . 1 . . . . . 122 HIS CA . 27961 1 1360 . 1 . 1 122 122 HIS CB C 13 30.503 0.015 . 1 . . . . . 122 HIS CB . 27961 1 1361 . 1 . 1 122 122 HIS CD2 C 13 121.594 0.10 . 1 . . . . . 122 HIS CD2 . 27961 1 1362 . 1 . 1 122 122 HIS CE1 C 13 137.666 0.10 . 1 . . . . . 122 HIS CE1 . 27961 1 1363 . 1 . 1 122 122 HIS N N 15 123.745 0.036 . 1 . . . . . 122 HIS N . 27961 1 1364 . 1 . 1 122 122 HIS ND1 N 15 204.432 0.05 . 1 . . . . . 122 HIS ND1 . 27961 1 1365 . 1 . 1 122 122 HIS NE2 N 15 190.843 0.05 . 1 . . . . . 122 HIS NE2 . 27961 1 1366 . 1 . 1 123 123 THR H H 1 9.353 0.012 . 1 . . . . . 123 THR H . 27961 1 1367 . 1 . 1 123 123 THR HA H 1 5.105 0.011 . 1 . . . . . 123 THR HA . 27961 1 1368 . 1 . 1 123 123 THR HB H 1 4.351 0.013 . 1 . . . . . 123 THR HB . 27961 1 1369 . 1 . 1 123 123 THR HG21 H 1 1.150 0.013 . 1 . . . . . 123 THR MG . 27961 1 1370 . 1 . 1 123 123 THR HG22 H 1 1.150 0.013 . 1 . . . . . 123 THR MG . 27961 1 1371 . 1 . 1 123 123 THR HG23 H 1 1.150 0.013 . 1 . . . . . 123 THR MG . 27961 1 1372 . 1 . 1 123 123 THR C C 13 175.040 0.10 . 1 . . . . . 123 THR C . 27961 1 1373 . 1 . 1 123 123 THR CA C 13 59.974 0.015 . 1 . . . . . 123 THR CA . 27961 1 1374 . 1 . 1 123 123 THR CB C 13 70.671 0.015 . 1 . . . . . 123 THR CB . 27961 1 1375 . 1 . 1 123 123 THR CG2 C 13 22.559 0.010 . 1 . . . . . 123 THR CG2 . 27961 1 1376 . 1 . 1 123 123 THR N N 15 115.943 0.024 . 1 . . . . . 123 THR N . 27961 1 1377 . 1 . 1 124 124 LYS H H 1 8.543 0.012 . 1 . . . . . 124 LYS H . 27961 1 1378 . 1 . 1 124 124 LYS HA H 1 4.427 0.017 . 1 . . . . . 124 LYS HA . 27961 1 1379 . 1 . 1 124 124 LYS HB2 H 1 1.622 0.023 . 1 . . . . . 124 LYS HB2 . 27961 1 1380 . 1 . 1 124 124 LYS HB3 H 1 1.622 0.023 . 1 . . . . . 124 LYS HB3 . 27961 1 1381 . 1 . 1 124 124 LYS HG2 H 1 1.381 0.010 . 1 . . . . . 124 LYS HG2 . 27961 1 1382 . 1 . 1 124 124 LYS HG3 H 1 1.381 0.010 . 1 . . . . . 124 LYS HG3 . 27961 1 1383 . 1 . 1 124 124 LYS HD2 H 1 1.637 0.013 . 1 . . . . . 124 LYS HD2 . 27961 1 1384 . 1 . 1 124 124 LYS HD3 H 1 1.637 0.013 . 1 . . . . . 124 LYS HD3 . 27961 1 1385 . 1 . 1 124 124 LYS HE2 H 1 2.868 0.014 . 1 . . . . . 124 LYS HE2 . 27961 1 1386 . 1 . 1 124 124 LYS HE3 H 1 2.868 0.014 . 1 . . . . . 124 LYS HE3 . 27961 1 1387 . 1 . 1 124 124 LYS C C 13 177.542 0.10 . 1 . . . . . 124 LYS C . 27961 1 1388 . 1 . 1 124 124 LYS CA C 13 55.998 0.015 . 1 . . . . . 124 LYS CA . 27961 1 1389 . 1 . 1 124 124 LYS CB C 13 33.605 0.015 . 1 . . . . . 124 LYS CB . 27961 1 1390 . 1 . 1 124 124 LYS CG C 13 25.757 0.015 . 1 . . . . . 124 LYS CG . 27961 1 1391 . 1 . 1 124 124 LYS CD C 13 29.274 0.015 . 1 . . . . . 124 LYS CD . 27961 1 1392 . 1 . 1 124 124 LYS CE C 13 42.068 0.015 . 1 . . . . . 124 LYS CE . 27961 1 1393 . 1 . 1 124 124 LYS N N 15 121.266 0.031 . 1 . . . . . 124 LYS N . 27961 1 1394 . 1 . 1 125 125 GLY H H 1 8.901 0.002 . 1 . . . . . 125 GLY H . 27961 1 1395 . 1 . 1 125 125 GLY HA2 H 1 4.779 0.005 . 1 . . . . . 125 GLY HA2 . 27961 1 1396 . 1 . 1 125 125 GLY HA3 H 1 4.779 0.005 . 1 . . . . . 125 GLY HA3 . 27961 1 1397 . 1 . 1 125 125 GLY C C 13 174.440 0.10 . 1 . . . . . 125 GLY C . 27961 1 1398 . 1 . 1 125 125 GLY CA C 13 46.785 0.015 . 1 . . . . . 125 GLY CA . 27961 1 1399 . 1 . 1 125 125 GLY N N 15 113.956 0.041 . 1 . . . . . 125 GLY N . 27961 1 1400 . 1 . 1 126 126 ASN HA H 1 4.885 0.002 . 1 . . . . . 126 ASN HA . 27961 1 1401 . 1 . 1 126 126 ASN HB2 H 1 2.821 0.006 . 2 . . . . . 126 ASN HB2 . 27961 1 1402 . 1 . 1 126 126 ASN HB3 H 1 2.975 0.002 . 2 . . . . . 126 ASN HB3 . 27961 1 1403 . 1 . 1 126 126 ASN HD21 H 1 6.937 0.008 . 2 . . . . . 126 ASN HD21 . 27961 1 1404 . 1 . 1 126 126 ASN HD22 H 1 7.617 0.002 . 2 . . . . . 126 ASN HD22 . 27961 1 1405 . 1 . 1 126 126 ASN C C 13 175.267 0.10 . 1 . . . . . 126 ASN C . 27961 1 1406 . 1 . 1 126 126 ASN CA C 13 52.491 0.015 . 1 . . . . . 126 ASN CA . 27961 1 1407 . 1 . 1 126 126 ASN CB C 13 38.242 0.015 . 1 . . . . . 126 ASN CB . 27961 1 1408 . 1 . 1 126 126 ASN CG C 13 177.783 0.10 . 1 . . . . . 126 ASN CG . 27961 1 1409 . 1 . 1 126 126 ASN ND2 N 15 112.609 0.006 . 1 . . . . . 126 ASN ND2 . 27961 1 1410 . 1 . 1 127 127 ALA H H 1 7.744 0.011 . 1 . . . . . 127 ALA H . 27961 1 1411 . 1 . 1 127 127 ALA HA H 1 4.376 0.019 . 1 . . . . . 127 ALA HA . 27961 1 1412 . 1 . 1 127 127 ALA HB1 H 1 1.620 0.023 . 1 . . . . . 127 ALA MB . 27961 1 1413 . 1 . 1 127 127 ALA HB2 H 1 1.620 0.023 . 1 . . . . . 127 ALA MB . 27961 1 1414 . 1 . 1 127 127 ALA HB3 H 1 1.620 0.023 . 1 . . . . . 127 ALA MB . 27961 1 1415 . 1 . 1 127 127 ALA C C 13 177.456 0.10 . 1 . . . . . 127 ALA C . 27961 1 1416 . 1 . 1 127 127 ALA CA C 13 52.888 0.015 . 1 . . . . . 127 ALA CA . 27961 1 1417 . 1 . 1 127 127 ALA CB C 13 20.015 0.015 . 1 . . . . . 127 ALA CB . 27961 1 1418 . 1 . 1 127 127 ALA N N 15 122.481 0.006 . 1 . . . . . 127 ALA N . 27961 1 1419 . 1 . 1 128 128 SER H H 1 8.478 0.014 . 1 . . . . . 128 SER H . 27961 1 1420 . 1 . 1 128 128 SER HA H 1 4.463 0.005 . 1 . . . . . 128 SER HA . 27961 1 1421 . 1 . 1 128 128 SER HB2 H 1 3.660 0.016 . 1 . . . . . 128 SER HB2 . 27961 1 1422 . 1 . 1 128 128 SER HB3 H 1 3.660 0.016 . 1 . . . . . 128 SER HB3 . 27961 1 1423 . 1 . 1 128 128 SER C C 13 173.114 0.10 . 1 . . . . . 128 SER C . 27961 1 1424 . 1 . 1 128 128 SER CA C 13 56.613 0.015 . 1 . . . . . 128 SER CA . 27961 1 1425 . 1 . 1 128 128 SER CB C 13 64.657 0.015 . 1 . . . . . 128 SER CB . 27961 1 1426 . 1 . 1 128 128 SER N N 15 116.170 0.038 . 1 . . . . . 128 SER N . 27961 1 1427 . 1 . 1 129 129 ILE H H 1 7.139 0.011 . 1 . . . . . 129 ILE H . 27961 1 1428 . 1 . 1 129 129 ILE HA H 1 4.262 0.011 . 1 . . . . . 129 ILE HA . 27961 1 1429 . 1 . 1 129 129 ILE HB H 1 1.264 0.004 . 1 . . . . . 129 ILE HB . 27961 1 1430 . 1 . 1 129 129 ILE HG12 H 1 1.264 0.007 . 1 . . . . . 129 ILE HG12 . 27961 1 1431 . 1 . 1 129 129 ILE HG13 H 1 1.264 0.007 . 1 . . . . . 129 ILE HG13 . 27961 1 1432 . 1 . 1 129 129 ILE HG21 H 1 0.751 0.019 . 1 . . . . . 129 ILE MG . 27961 1 1433 . 1 . 1 129 129 ILE HG22 H 1 0.751 0.019 . 1 . . . . . 129 ILE MG . 27961 1 1434 . 1 . 1 129 129 ILE HG23 H 1 0.751 0.019 . 1 . . . . . 129 ILE MG . 27961 1 1435 . 1 . 1 129 129 ILE HD11 H 1 0.936 0.036 . 1 . . . . . 129 ILE MD . 27961 1 1436 . 1 . 1 129 129 ILE HD12 H 1 0.936 0.036 . 1 . . . . . 129 ILE MD . 27961 1 1437 . 1 . 1 129 129 ILE HD13 H 1 0.936 0.036 . 1 . . . . . 129 ILE MD . 27961 1 1438 . 1 . 1 129 129 ILE C C 13 174.660 0.10 . 1 . . . . . 129 ILE C . 27961 1 1439 . 1 . 1 129 129 ILE CA C 13 58.540 0.015 . 1 . . . . . 129 ILE CA . 27961 1 1440 . 1 . 1 129 129 ILE CB C 13 39.416 0.015 . 1 . . . . . 129 ILE CB . 27961 1 1441 . 1 . 1 129 129 ILE CG1 C 13 26.951 0.015 . 1 . . . . . 129 ILE CG1 . 27961 1 1442 . 1 . 1 129 129 ILE CG2 C 13 17.483 0.053 . 1 . . . . . 129 ILE CG2 . 27961 1 1443 . 1 . 1 129 129 ILE CD1 C 13 13.221 0.015 . 1 . . . . . 129 ILE CD1 . 27961 1 1444 . 1 . 1 129 129 ILE N N 15 118.845 0.029 . 1 . . . . . 129 ILE N . 27961 1 1445 . 1 . 1 130 130 SER H H 1 8.535 0.009 . 1 . . . . . 130 SER H . 27961 1 1446 . 1 . 1 130 130 SER HA H 1 4.457 0.013 . 1 . . . . . 130 SER HA . 27961 1 1447 . 1 . 1 130 130 SER HB2 H 1 4.227 0.014 . 2 . . . . . 130 SER HB2 . 27961 1 1448 . 1 . 1 130 130 SER HB3 H 1 3.925 0.012 . 2 . . . . . 130 SER HB3 . 27961 1 1449 . 1 . 1 130 130 SER C C 13 174.962 0.10 . 1 . . . . . 130 SER C . 27961 1 1450 . 1 . 1 130 130 SER CA C 13 57.446 0.015 . 1 . . . . . 130 SER CA . 27961 1 1451 . 1 . 1 130 130 SER CB C 13 64.933 0.015 . 1 . . . . . 130 SER CB . 27961 1 1452 . 1 . 1 130 130 SER N N 15 122.174 0.033 . 1 . . . . . 130 SER N . 27961 1 1453 . 1 . 1 131 131 GLU H H 1 8.940 0.006 . 1 . . . . . 131 GLU H . 27961 1 1454 . 1 . 1 131 131 GLU HA H 1 3.848 0.010 . 1 . . . . . 131 GLU HA . 27961 1 1455 . 1 . 1 131 131 GLU HG2 H 1 2.273 0.013 . 1 . . . . . 131 GLU HG2 . 27961 1 1456 . 1 . 1 131 131 GLU HG3 H 1 2.273 0.013 . 1 . . . . . 131 GLU HG3 . 27961 1 1457 . 1 . 1 131 131 GLU C C 13 179.068 0.10 . 1 . . . . . 131 GLU C . 27961 1 1458 . 1 . 1 131 131 GLU CA C 13 59.444 0.015 . 1 . . . . . 131 GLU CA . 27961 1 1459 . 1 . 1 131 131 GLU CB C 13 29.316 0.015 . 1 . . . . . 131 GLU CB . 27961 1 1460 . 1 . 1 131 131 GLU CG C 13 36.496 0.015 . 1 . . . . . 131 GLU CG . 27961 1 1461 . 1 . 1 131 131 GLU N N 15 123.493 0.047 . 1 . . . . . 131 GLU N . 27961 1 1462 . 1 . 1 132 132 GLU H H 1 8.691 0.011 . 1 . . . . . 132 GLU H . 27961 1 1463 . 1 . 1 132 132 GLU HA H 1 3.914 0.020 . 1 . . . . . 132 GLU HA . 27961 1 1464 . 1 . 1 132 132 GLU HB2 H 1 1.993 0.011 . 1 . . . . . 132 GLU HB2 . 27961 1 1465 . 1 . 1 132 132 GLU HB3 H 1 1.993 0.011 . 1 . . . . . 132 GLU HB3 . 27961 1 1466 . 1 . 1 132 132 GLU HG2 H 1 2.345 0.001 . 1 . . . . . 132 GLU HG2 . 27961 1 1467 . 1 . 1 132 132 GLU HG3 H 1 2.345 0.001 . 1 . . . . . 132 GLU HG3 . 27961 1 1468 . 1 . 1 132 132 GLU C C 13 179.237 0.10 . 1 . . . . . 132 GLU C . 27961 1 1469 . 1 . 1 132 132 GLU CA C 13 59.848 0.015 . 1 . . . . . 132 GLU CA . 27961 1 1470 . 1 . 1 132 132 GLU CB C 13 29.138 0.015 . 1 . . . . . 132 GLU CB . 27961 1 1471 . 1 . 1 132 132 GLU CG C 13 36.646 0.015 . 1 . . . . . 132 GLU CG . 27961 1 1472 . 1 . 1 132 132 GLU N N 15 118.621 0.027 . 1 . . . . . 132 GLU N . 27961 1 1473 . 1 . 1 133 133 GLU H H 1 7.669 0.011 . 1 . . . . . 133 GLU H . 27961 1 1474 . 1 . 1 133 133 GLU HA H 1 4.076 0.007 . 1 . . . . . 133 GLU HA . 27961 1 1475 . 1 . 1 133 133 GLU HB2 H 1 2.155 0.015 . 1 . . . . . 133 GLU HB2 . 27961 1 1476 . 1 . 1 133 133 GLU HB3 H 1 2.155 0.015 . 1 . . . . . 133 GLU HB3 . 27961 1 1477 . 1 . 1 133 133 GLU HG2 H 1 2.248 0.006 . 1 . . . . . 133 GLU HG2 . 27961 1 1478 . 1 . 1 133 133 GLU HG3 H 1 2.248 0.006 . 1 . . . . . 133 GLU HG3 . 27961 1 1479 . 1 . 1 133 133 GLU C C 13 179.638 0.10 . 1 . . . . . 133 GLU C . 27961 1 1480 . 1 . 1 133 133 GLU CA C 13 59.182 0.015 . 1 . . . . . 133 GLU CA . 27961 1 1481 . 1 . 1 133 133 GLU CB C 13 29.658 0.015 . 1 . . . . . 133 GLU CB . 27961 1 1482 . 1 . 1 133 133 GLU CG C 13 36.860 0.015 . 1 . . . . . 133 GLU CG . 27961 1 1483 . 1 . 1 133 133 GLU N N 15 121.123 0.040 . 1 . . . . . 133 GLU N . 27961 1 1484 . 1 . 1 134 134 ILE H H 1 7.568 0.006 . 1 . . . . . 134 ILE H . 27961 1 1485 . 1 . 1 134 134 ILE HA H 1 3.486 0.021 . 1 . . . . . 134 ILE HA . 27961 1 1486 . 1 . 1 134 134 ILE HB H 1 1.629 0.015 . 1 . . . . . 134 ILE HB . 27961 1 1487 . 1 . 1 134 134 ILE HG12 H 1 0.994 0.024 . 2 . . . . . 134 ILE HG12 . 27961 1 1488 . 1 . 1 134 134 ILE HG13 H 1 0.485 0.025 . 2 . . . . . 134 ILE HG13 . 27961 1 1489 . 1 . 1 134 134 ILE HG21 H 1 0.336 0.007 . 1 . . . . . 134 ILE MG . 27961 1 1490 . 1 . 1 134 134 ILE HG22 H 1 0.336 0.007 . 1 . . . . . 134 ILE MG . 27961 1 1491 . 1 . 1 134 134 ILE HG23 H 1 0.336 0.007 . 1 . . . . . 134 ILE MG . 27961 1 1492 . 1 . 1 134 134 ILE HD11 H 1 0.041 0.027 . 1 . . . . . 134 ILE MD . 27961 1 1493 . 1 . 1 134 134 ILE HD12 H 1 0.041 0.027 . 1 . . . . . 134 ILE MD . 27961 1 1494 . 1 . 1 134 134 ILE HD13 H 1 0.041 0.027 . 1 . . . . . 134 ILE MD . 27961 1 1495 . 1 . 1 134 134 ILE C C 13 178.869 0.10 . 1 . . . . . 134 ILE C . 27961 1 1496 . 1 . 1 134 134 ILE CA C 13 63.695 0.015 . 1 . . . . . 134 ILE CA . 27961 1 1497 . 1 . 1 134 134 ILE CB C 13 37.268 0.015 . 1 . . . . . 134 ILE CB . 27961 1 1498 . 1 . 1 134 134 ILE CG1 C 13 27.460 0.015 . 1 . . . . . 134 ILE CG1 . 27961 1 1499 . 1 . 1 134 134 ILE CG2 C 13 16.690 0.003 . 1 . . . . . 134 ILE CG2 . 27961 1 1500 . 1 . 1 134 134 ILE CD1 C 13 11.963 0.035 . 1 . . . . . 134 ILE CD1 . 27961 1 1501 . 1 . 1 134 134 ILE N N 15 121.604 0.041 . 1 . . . . . 134 ILE N . 27961 1 1502 . 1 . 1 135 135 LYS H H 1 8.148 0.008 . 1 . . . . . 135 LYS H . 27961 1 1503 . 1 . 1 135 135 LYS HA H 1 3.852 0.010 . 1 . . . . . 135 LYS HA . 27961 1 1504 . 1 . 1 135 135 LYS HB2 H 1 1.867 0.008 . 1 . . . . . 135 LYS HB2 . 27961 1 1505 . 1 . 1 135 135 LYS HB3 H 1 1.867 0.008 . 1 . . . . . 135 LYS HB3 . 27961 1 1506 . 1 . 1 135 135 LYS HG2 H 1 1.401 0.009 . 1 . . . . . 135 LYS HG2 . 27961 1 1507 . 1 . 1 135 135 LYS HG3 H 1 1.401 0.009 . 1 . . . . . 135 LYS HG3 . 27961 1 1508 . 1 . 1 135 135 LYS HD2 H 1 1.633 0.014 . 1 . . . . . 135 LYS HD2 . 27961 1 1509 . 1 . 1 135 135 LYS HD3 H 1 1.633 0.014 . 1 . . . . . 135 LYS HD3 . 27961 1 1510 . 1 . 1 135 135 LYS HE2 H 1 2.935 0.009 . 1 . . . . . 135 LYS HE2 . 27961 1 1511 . 1 . 1 135 135 LYS HE3 H 1 2.935 0.009 . 1 . . . . . 135 LYS HE3 . 27961 1 1512 . 1 . 1 135 135 LYS C C 13 178.545 0.10 . 1 . . . . . 135 LYS C . 27961 1 1513 . 1 . 1 135 135 LYS CA C 13 59.829 0.015 . 1 . . . . . 135 LYS CA . 27961 1 1514 . 1 . 1 135 135 LYS CB C 13 32.512 0.015 . 1 . . . . . 135 LYS CB . 27961 1 1515 . 1 . 1 135 135 LYS CG C 13 25.029 0.015 . 1 . . . . . 135 LYS CG . 27961 1 1516 . 1 . 1 135 135 LYS CD C 13 29.346 0.015 . 1 . . . . . 135 LYS CD . 27961 1 1517 . 1 . 1 135 135 LYS CE C 13 41.955 0.015 . 1 . . . . . 135 LYS CE . 27961 1 1518 . 1 . 1 135 135 LYS N N 15 121.113 0.036 . 1 . . . . . 135 LYS N . 27961 1 1519 . 1 . 1 136 136 ALA H H 1 8.024 0.004 . 1 . . . . . 136 ALA H . 27961 1 1520 . 1 . 1 136 136 ALA HA H 1 4.217 0.007 . 1 . . . . . 136 ALA HA . 27961 1 1521 . 1 . 1 136 136 ALA HB1 H 1 1.515 0.008 . 1 . . . . . 136 ALA MB . 27961 1 1522 . 1 . 1 136 136 ALA HB2 H 1 1.515 0.008 . 1 . . . . . 136 ALA MB . 27961 1 1523 . 1 . 1 136 136 ALA HB3 H 1 1.515 0.008 . 1 . . . . . 136 ALA MB . 27961 1 1524 . 1 . 1 136 136 ALA C C 13 181.220 0.10 . 1 . . . . . 136 ALA C . 27961 1 1525 . 1 . 1 136 136 ALA CA C 13 54.994 0.015 . 1 . . . . . 136 ALA CA . 27961 1 1526 . 1 . 1 136 136 ALA CB C 13 18.017 0.015 . 1 . . . . . 136 ALA CB . 27961 1 1527 . 1 . 1 136 136 ALA N N 15 121.052 0.032 . 1 . . . . . 136 ALA N . 27961 1 1528 . 1 . 1 137 137 GLY H H 1 8.089 0.011 . 1 . . . . . 137 GLY H . 27961 1 1529 . 1 . 1 137 137 GLY HA2 H 1 3.989 0.004 . 1 . . . . . 137 GLY HA2 . 27961 1 1530 . 1 . 1 137 137 GLY HA3 H 1 3.989 0.004 . 1 . . . . . 137 GLY HA3 . 27961 1 1531 . 1 . 1 137 137 GLY C C 13 177.115 0.10 . 1 . . . . . 137 GLY C . 27961 1 1532 . 1 . 1 137 137 GLY CA C 13 47.305 0.015 . 1 . . . . . 137 GLY CA . 27961 1 1533 . 1 . 1 137 137 GLY N N 15 106.367 0.009 . 1 . . . . . 137 GLY N . 27961 1 1534 . 1 . 1 138 138 LYS H H 1 8.190 0.012 . 1 . . . . . 138 LYS H . 27961 1 1535 . 1 . 1 138 138 LYS HA H 1 4.223 0.007 . 1 . . . . . 138 LYS HA . 27961 1 1536 . 1 . 1 138 138 LYS HB2 H 1 1.946 0.008 . 1 . . . . . 138 LYS HB2 . 27961 1 1537 . 1 . 1 138 138 LYS HB3 H 1 1.946 0.008 . 1 . . . . . 138 LYS HB3 . 27961 1 1538 . 1 . 1 138 138 LYS HG2 H 1 1.399 0.007 . 1 . . . . . 138 LYS HG2 . 27961 1 1539 . 1 . 1 138 138 LYS HG3 H 1 1.399 0.007 . 1 . . . . . 138 LYS HG3 . 27961 1 1540 . 1 . 1 138 138 LYS HD2 H 1 1.617 0.009 . 1 . . . . . 138 LYS HD2 . 27961 1 1541 . 1 . 1 138 138 LYS HD3 H 1 1.617 0.009 . 1 . . . . . 138 LYS HD3 . 27961 1 1542 . 1 . 1 138 138 LYS HE2 H 1 2.890 0.005 . 1 . . . . . 138 LYS HE2 . 27961 1 1543 . 1 . 1 138 138 LYS HE3 H 1 2.890 0.005 . 1 . . . . . 138 LYS HE3 . 27961 1 1544 . 1 . 1 138 138 LYS C C 13 179.792 0.10 . 1 . . . . . 138 LYS C . 27961 1 1545 . 1 . 1 138 138 LYS CA C 13 59.546 0.015 . 1 . . . . . 138 LYS CA . 27961 1 1546 . 1 . 1 138 138 LYS CB C 13 32.840 0.015 . 1 . . . . . 138 LYS CB . 27961 1 1547 . 1 . 1 138 138 LYS CG C 13 25.096 0.015 . 1 . . . . . 138 LYS CG . 27961 1 1548 . 1 . 1 138 138 LYS CD C 13 29.920 0.015 . 1 . . . . . 138 LYS CD . 27961 1 1549 . 1 . 1 138 138 LYS CE C 13 41.914 0.015 . 1 . . . . . 138 LYS CE . 27961 1 1550 . 1 . 1 138 138 LYS N N 15 124.487 0.023 . 1 . . . . . 138 LYS N . 27961 1 1551 . 1 . 1 139 139 GLU H H 1 8.367 0.011 . 1 . . . . . 139 GLU H . 27961 1 1552 . 1 . 1 139 139 GLU HA H 1 4.148 0.007 . 1 . . . . . 139 GLU HA . 27961 1 1553 . 1 . 1 139 139 GLU HB2 H 1 2.133 0.011 . 1 . . . . . 139 GLU HB2 . 27961 1 1554 . 1 . 1 139 139 GLU HB3 H 1 2.133 0.011 . 1 . . . . . 139 GLU HB3 . 27961 1 1555 . 1 . 1 139 139 GLU HG2 H 1 2.472 0.012 . 2 . . . . . 139 GLU HG2 . 27961 1 1556 . 1 . 1 139 139 GLU HG3 H 1 2.295 0.005 . 2 . . . . . 139 GLU HG3 . 27961 1 1557 . 1 . 1 139 139 GLU C C 13 180.092 0.10 . 1 . . . . . 139 GLU C . 27961 1 1558 . 1 . 1 139 139 GLU CA C 13 59.284 0.015 . 1 . . . . . 139 GLU CA . 27961 1 1559 . 1 . 1 139 139 GLU CB C 13 29.568 0.015 . 1 . . . . . 139 GLU CB . 27961 1 1560 . 1 . 1 139 139 GLU CG C 13 36.492 0.015 . 1 . . . . . 139 GLU CG . 27961 1 1561 . 1 . 1 139 139 GLU N N 15 120.234 0.024 . 1 . . . . . 139 GLU N . 27961 1 1562 . 1 . 1 140 140 LYS H H 1 8.192 0.011 . 1 . . . . . 140 LYS H . 27961 1 1563 . 1 . 1 140 140 LYS HA H 1 4.156 0.009 . 1 . . . . . 140 LYS HA . 27961 1 1564 . 1 . 1 140 140 LYS HB2 H 1 1.994 0.012 . 1 . . . . . 140 LYS HB2 . 27961 1 1565 . 1 . 1 140 140 LYS HB3 H 1 1.994 0.012 . 1 . . . . . 140 LYS HB3 . 27961 1 1566 . 1 . 1 140 140 LYS HG2 H 1 1.572 0.013 . 1 . . . . . 140 LYS HG2 . 27961 1 1567 . 1 . 1 140 140 LYS HG3 H 1 1.572 0.013 . 1 . . . . . 140 LYS HG3 . 27961 1 1568 . 1 . 1 140 140 LYS HD2 H 1 1.659 0.008 . 2 . . . . . 140 LYS HD2 . 27961 1 1569 . 1 . 1 140 140 LYS HD3 H 1 2.001 0.015 . 2 . . . . . 140 LYS HD3 . 27961 1 1570 . 1 . 1 140 140 LYS HE2 H 1 2.890 0.010 . 1 . . . . . 140 LYS HE2 . 27961 1 1571 . 1 . 1 140 140 LYS HE3 H 1 2.890 0.010 . 1 . . . . . 140 LYS HE3 . 27961 1 1572 . 1 . 1 140 140 LYS C C 13 179.186 0.10 . 1 . . . . . 140 LYS C . 27961 1 1573 . 1 . 1 140 140 LYS CA C 13 59.341 0.015 . 1 . . . . . 140 LYS CA . 27961 1 1574 . 1 . 1 140 140 LYS CB C 13 32.654 0.015 . 1 . . . . . 140 LYS CB . 27961 1 1575 . 1 . 1 140 140 LYS CG C 13 25.370 0.015 . 1 . . . . . 140 LYS CG . 27961 1 1576 . 1 . 1 140 140 LYS CD C 13 29.239 0.015 . 1 . . . . . 140 LYS CD . 27961 1 1577 . 1 . 1 140 140 LYS CE C 13 42.010 0.015 . 1 . . . . . 140 LYS CE . 27961 1 1578 . 1 . 1 140 140 LYS N N 15 121.538 0.037 . 1 . . . . . 140 LYS N . 27961 1 1579 . 1 . 1 141 141 ALA H H 1 7.833 0.011 . 1 . . . . . 141 ALA H . 27961 1 1580 . 1 . 1 141 141 ALA HA H 1 4.105 0.006 . 1 . . . . . 141 ALA HA . 27961 1 1581 . 1 . 1 141 141 ALA HB1 H 1 1.519 0.012 . 1 . . . . . 141 ALA MB . 27961 1 1582 . 1 . 1 141 141 ALA HB2 H 1 1.519 0.012 . 1 . . . . . 141 ALA MB . 27961 1 1583 . 1 . 1 141 141 ALA HB3 H 1 1.519 0.012 . 1 . . . . . 141 ALA MB . 27961 1 1584 . 1 . 1 141 141 ALA C C 13 180.101 0.10 . 1 . . . . . 141 ALA C . 27961 1 1585 . 1 . 1 141 141 ALA CA C 13 55.149 0.015 . 1 . . . . . 141 ALA CA . 27961 1 1586 . 1 . 1 141 141 ALA CB C 13 18.043 0.015 . 1 . . . . . 141 ALA CB . 27961 1 1587 . 1 . 1 141 141 ALA N N 15 121.947 0.044 . 1 . . . . . 141 ALA N . 27961 1 1588 . 1 . 1 142 142 ALA H H 1 8.242 0.012 . 1 . . . . . 142 ALA H . 27961 1 1589 . 1 . 1 142 142 ALA HA H 1 4.246 0.012 . 1 . . . . . 142 ALA HA . 27961 1 1590 . 1 . 1 142 142 ALA HB1 H 1 1.570 0.008 . 1 . . . . . 142 ALA MB . 27961 1 1591 . 1 . 1 142 142 ALA HB2 H 1 1.570 0.008 . 1 . . . . . 142 ALA MB . 27961 1 1592 . 1 . 1 142 142 ALA HB3 H 1 1.570 0.008 . 1 . . . . . 142 ALA MB . 27961 1 1593 . 1 . 1 142 142 ALA C C 13 180.754 0.10 . 1 . . . . . 142 ALA C . 27961 1 1594 . 1 . 1 142 142 ALA CA C 13 55.121 0.015 . 1 . . . . . 142 ALA CA . 27961 1 1595 . 1 . 1 142 142 ALA CB C 13 18.191 0.015 . 1 . . . . . 142 ALA CB . 27961 1 1596 . 1 . 1 142 142 ALA N N 15 121.153 0.019 . 1 . . . . . 142 ALA N . 27961 1 1597 . 1 . 1 143 143 GLY H H 1 8.249 0.013 . 1 . . . . . 143 GLY H . 27961 1 1598 . 1 . 1 143 143 GLY HA2 H 1 3.916 0.009 . 1 . . . . . 143 GLY HA2 . 27961 1 1599 . 1 . 1 143 143 GLY HA3 H 1 3.916 0.009 . 1 . . . . . 143 GLY HA3 . 27961 1 1600 . 1 . 1 143 143 GLY C C 13 176.939 0.10 . 1 . . . . . 143 GLY C . 27961 1 1601 . 1 . 1 143 143 GLY CA C 13 46.890 0.015 . 1 . . . . . 143 GLY CA . 27961 1 1602 . 1 . 1 143 143 GLY N N 15 105.707 0.012 . 1 . . . . . 143 GLY N . 27961 1 1603 . 1 . 1 144 144 LEU H H 1 7.796 0.007 . 1 . . . . . 144 LEU H . 27961 1 1604 . 1 . 1 144 144 LEU HA H 1 3.988 0.007 . 1 . . . . . 144 LEU HA . 27961 1 1605 . 1 . 1 144 144 LEU HB2 H 1 1.783 0.015 . 2 . . . . . 144 LEU HB2 . 27961 1 1606 . 1 . 1 144 144 LEU HB3 H 1 1.364 0.004 . 2 . . . . . 144 LEU HB3 . 27961 1 1607 . 1 . 1 144 144 LEU HG H 1 1.379 0.011 . 1 . . . . . 144 LEU HG . 27961 1 1608 . 1 . 1 144 144 LEU HD11 H 1 0.631 0.011 . 1 . . . . . 144 LEU MD1 . 27961 1 1609 . 1 . 1 144 144 LEU HD12 H 1 0.631 0.011 . 1 . . . . . 144 LEU MD1 . 27961 1 1610 . 1 . 1 144 144 LEU HD13 H 1 0.631 0.011 . 1 . . . . . 144 LEU MD1 . 27961 1 1611 . 1 . 1 144 144 LEU HD21 H 1 0.631 0.011 . 1 . . . . . 144 LEU MD2 . 27961 1 1612 . 1 . 1 144 144 LEU HD22 H 1 0.631 0.011 . 1 . . . . . 144 LEU MD2 . 27961 1 1613 . 1 . 1 144 144 LEU HD23 H 1 0.631 0.011 . 1 . . . . . 144 LEU MD2 . 27961 1 1614 . 1 . 1 144 144 LEU C C 13 178.072 0.10 . 1 . . . . . 144 LEU C . 27961 1 1615 . 1 . 1 144 144 LEU CA C 13 57.915 0.015 . 1 . . . . . 144 LEU CA . 27961 1 1616 . 1 . 1 144 144 LEU CB C 13 41.285 0.015 . 1 . . . . . 144 LEU CB . 27961 1 1617 . 1 . 1 144 144 LEU CG C 13 27.134 0.015 . 1 . . . . . 144 LEU CG . 27961 1 1618 . 1 . 1 144 144 LEU CD1 C 13 23.821 0.050 . 2 . . . . . 144 LEU CD1 . 27961 1 1619 . 1 . 1 144 144 LEU CD2 C 13 23.958 0.015 . 2 . . . . . 144 LEU CD2 . 27961 1 1620 . 1 . 1 144 144 LEU N N 15 124.556 0.034 . 1 . . . . . 144 LEU N . 27961 1 1621 . 1 . 1 145 145 PHE H H 1 7.917 0.006 . 1 . . . . . 145 PHE H . 27961 1 1622 . 1 . 1 145 145 PHE HA H 1 3.774 0.012 . 1 . . . . . 145 PHE HA . 27961 1 1623 . 1 . 1 145 145 PHE HB2 H 1 2.971 0.013 . 1 . . . . . 145 PHE HB2 . 27961 1 1624 . 1 . 1 145 145 PHE HB3 H 1 2.971 0.013 . 1 . . . . . 145 PHE HB3 . 27961 1 1625 . 1 . 1 145 145 PHE HD1 H 1 6.558 0.005 . 3 . . . . . 145 PHE HD1 . 27961 1 1626 . 1 . 1 145 145 PHE HD2 H 1 6.558 0.005 . 3 . . . . . 145 PHE HD2 . 27961 1 1627 . 1 . 1 145 145 PHE HE1 H 1 6.786 0.005 . 3 . . . . . 145 PHE HE1 . 27961 1 1628 . 1 . 1 145 145 PHE HE2 H 1 6.786 0.005 . 3 . . . . . 145 PHE HE2 . 27961 1 1629 . 1 . 1 145 145 PHE C C 13 177.320 0.10 . 1 . . . . . 145 PHE C . 27961 1 1630 . 1 . 1 145 145 PHE CA C 13 61.992 0.015 . 1 . . . . . 145 PHE CA . 27961 1 1631 . 1 . 1 145 145 PHE CB C 13 38.114 0.015 . 1 . . . . . 145 PHE CB . 27961 1 1632 . 1 . 1 145 145 PHE CD1 C 13 131.233 0.015 . 1 . . . . . 145 PHE CD1 . 27961 1 1633 . 1 . 1 145 145 PHE CD2 C 13 131.233 0.015 . 1 . . . . . 145 PHE CD2 . 27961 1 1634 . 1 . 1 145 145 PHE CE1 C 13 130.366 0.015 . 1 . . . . . 145 PHE CE1 . 27961 1 1635 . 1 . 1 145 145 PHE CE2 C 13 130.366 0.015 . 1 . . . . . 145 PHE CE2 . 27961 1 1636 . 1 . 1 145 145 PHE N N 15 117.887 0.032 . 1 . . . . . 145 PHE N . 27961 1 1637 . 1 . 1 146 146 LYS H H 1 8.204 0.006 . 1 . . . . . 146 LYS H . 27961 1 1638 . 1 . 1 146 146 LYS HA H 1 3.825 0.018 . 1 . . . . . 146 LYS HA . 27961 1 1639 . 1 . 1 146 146 LYS HB2 H 1 1.908 0.006 . 1 . . . . . 146 LYS HB2 . 27961 1 1640 . 1 . 1 146 146 LYS HB3 H 1 1.908 0.006 . 1 . . . . . 146 LYS HB3 . 27961 1 1641 . 1 . 1 146 146 LYS HG2 H 1 1.633 0.008 . 1 . . . . . 146 LYS HG2 . 27961 1 1642 . 1 . 1 146 146 LYS HG3 H 1 1.633 0.008 . 1 . . . . . 146 LYS HG3 . 27961 1 1643 . 1 . 1 146 146 LYS HD2 H 1 1.764 0.005 . 1 . . . . . 146 LYS HD2 . 27961 1 1644 . 1 . 1 146 146 LYS HD3 H 1 1.764 0.005 . 1 . . . . . 146 LYS HD3 . 27961 1 1645 . 1 . 1 146 146 LYS HE2 H 1 2.981 0.010 . 1 . . . . . 146 LYS HE2 . 27961 1 1646 . 1 . 1 146 146 LYS HE3 H 1 2.981 0.010 . 1 . . . . . 146 LYS HE3 . 27961 1 1647 . 1 . 1 146 146 LYS C C 13 179.316 0.10 . 1 . . . . . 146 LYS C . 27961 1 1648 . 1 . 1 146 146 LYS CA C 13 58.753 0.015 . 1 . . . . . 146 LYS CA . 27961 1 1649 . 1 . 1 146 146 LYS CB C 13 31.958 0.015 . 1 . . . . . 146 LYS CB . 27961 1 1650 . 1 . 1 146 146 LYS CG C 13 24.958 0.015 . 1 . . . . . 146 LYS CG . 27961 1 1651 . 1 . 1 146 146 LYS CD C 13 28.569 0.015 . 1 . . . . . 146 LYS CD . 27961 1 1652 . 1 . 1 146 146 LYS CE C 13 42.157 0.015 . 1 . . . . . 146 LYS CE . 27961 1 1653 . 1 . 1 146 146 LYS N N 15 117.545 0.030 . 1 . . . . . 146 LYS N . 27961 1 1654 . 1 . 1 147 147 ALA H H 1 7.780 0.006 . 1 . . . . . 147 ALA H . 27961 1 1655 . 1 . 1 147 147 ALA HA H 1 4.262 0.013 . 1 . . . . . 147 ALA HA . 27961 1 1656 . 1 . 1 147 147 ALA HB1 H 1 1.540 0.009 . 1 . . . . . 147 ALA MB . 27961 1 1657 . 1 . 1 147 147 ALA HB2 H 1 1.540 0.009 . 1 . . . . . 147 ALA MB . 27961 1 1658 . 1 . 1 147 147 ALA HB3 H 1 1.540 0.009 . 1 . . . . . 147 ALA MB . 27961 1 1659 . 1 . 1 147 147 ALA C C 13 180.905 0.10 . 1 . . . . . 147 ALA C . 27961 1 1660 . 1 . 1 147 147 ALA CA C 13 54.889 0.015 . 1 . . . . . 147 ALA CA . 27961 1 1661 . 1 . 1 147 147 ALA CB C 13 17.999 0.015 . 1 . . . . . 147 ALA CB . 27961 1 1662 . 1 . 1 147 147 ALA N N 15 122.502 0.029 . 1 . . . . . 147 ALA N . 27961 1 1663 . 1 . 1 148 148 VAL H H 1 8.044 0.013 . 1 . . . . . 148 VAL H . 27961 1 1664 . 1 . 1 148 148 VAL HA H 1 3.498 0.020 . 1 . . . . . 148 VAL HA . 27961 1 1665 . 1 . 1 148 148 VAL HB H 1 2.004 0.017 . 1 . . . . . 148 VAL HB . 27961 1 1666 . 1 . 1 148 148 VAL HG11 H 1 0.839 0.021 . 2 . . . . . 148 VAL MG1 . 27961 1 1667 . 1 . 1 148 148 VAL HG12 H 1 0.839 0.021 . 2 . . . . . 148 VAL MG1 . 27961 1 1668 . 1 . 1 148 148 VAL HG13 H 1 0.839 0.021 . 2 . . . . . 148 VAL MG1 . 27961 1 1669 . 1 . 1 148 148 VAL HG21 H 1 0.842 0.018 . 2 . . . . . 148 VAL MG2 . 27961 1 1670 . 1 . 1 148 148 VAL HG22 H 1 0.842 0.018 . 2 . . . . . 148 VAL MG2 . 27961 1 1671 . 1 . 1 148 148 VAL HG23 H 1 0.842 0.018 . 2 . . . . . 148 VAL MG2 . 27961 1 1672 . 1 . 1 148 148 VAL C C 13 176.994 0.10 . 1 . . . . . 148 VAL C . 27961 1 1673 . 1 . 1 148 148 VAL CA C 13 66.913 0.015 . 1 . . . . . 148 VAL CA . 27961 1 1674 . 1 . 1 148 148 VAL CB C 13 31.293 0.015 . 1 . . . . . 148 VAL CB . 27961 1 1675 . 1 . 1 148 148 VAL CG1 C 13 21.467 0.026 . 2 . . . . . 148 VAL CG1 . 27961 1 1676 . 1 . 1 148 148 VAL CG2 C 13 23.216 0.015 . 2 . . . . . 148 VAL CG2 . 27961 1 1677 . 1 . 1 148 148 VAL N N 15 120.380 0.089 . 1 . . . . . 148 VAL N . 27961 1 1678 . 1 . 1 149 149 GLU H H 1 8.651 0.008 . 1 . . . . . 149 GLU H . 27961 1 1679 . 1 . 1 149 149 GLU HA H 1 3.499 0.019 . 1 . . . . . 149 GLU HA . 27961 1 1680 . 1 . 1 149 149 GLU HB2 H 1 1.924 0.028 . 2 . . . . . 149 GLU HB2 . 27961 1 1681 . 1 . 1 149 149 GLU HB3 H 1 1.630 0.022 . 2 . . . . . 149 GLU HB3 . 27961 1 1682 . 1 . 1 149 149 GLU HG2 H 1 2.008 0.017 . 1 . . . . . 149 GLU HG2 . 27961 1 1683 . 1 . 1 149 149 GLU HG3 H 1 2.008 0.017 . 1 . . . . . 149 GLU HG3 . 27961 1 1684 . 1 . 1 149 149 GLU C C 13 177.402 0.10 . 1 . . . . . 149 GLU C . 27961 1 1685 . 1 . 1 149 149 GLU CA C 13 60.364 0.015 . 1 . . . . . 149 GLU CA . 27961 1 1686 . 1 . 1 149 149 GLU CB C 13 30.298 0.015 . 1 . . . . . 149 GLU CB . 27961 1 1687 . 1 . 1 149 149 GLU CG C 13 37.479 0.015 . 1 . . . . . 149 GLU CG . 27961 1 1688 . 1 . 1 149 149 GLU N N 15 120.762 0.032 . 1 . . . . . 149 GLU N . 27961 1 1689 . 1 . 1 150 150 ALA H H 1 8.084 0.010 . 1 . . . . . 150 ALA H . 27961 1 1690 . 1 . 1 150 150 ALA HA H 1 4.028 0.007 . 1 . . . . . 150 ALA HA . 27961 1 1691 . 1 . 1 150 150 ALA HB1 H 1 1.540 0.004 . 1 . . . . . 150 ALA MB . 27961 1 1692 . 1 . 1 150 150 ALA HB2 H 1 1.540 0.004 . 1 . . . . . 150 ALA MB . 27961 1 1693 . 1 . 1 150 150 ALA HB3 H 1 1.540 0.004 . 1 . . . . . 150 ALA MB . 27961 1 1694 . 1 . 1 150 150 ALA C C 13 181.017 0.10 . 1 . . . . . 150 ALA C . 27961 1 1695 . 1 . 1 150 150 ALA CA C 13 55.264 0.015 . 1 . . . . . 150 ALA CA . 27961 1 1696 . 1 . 1 150 150 ALA CB C 13 17.979 0.015 . 1 . . . . . 150 ALA CB . 27961 1 1697 . 1 . 1 150 150 ALA N N 15 118.480 0.047 . 1 . . . . . 150 ALA N . 27961 1 1698 . 1 . 1 151 151 TYR H H 1 7.715 0.011 . 1 . . . . . 151 TYR H . 27961 1 1699 . 1 . 1 151 151 TYR HA H 1 4.288 0.020 . 1 . . . . . 151 TYR HA . 27961 1 1700 . 1 . 1 151 151 TYR HB2 H 1 3.241 0.009 . 1 . . . . . 151 TYR HB2 . 27961 1 1701 . 1 . 1 151 151 TYR HB3 H 1 3.241 0.009 . 1 . . . . . 151 TYR HB3 . 27961 1 1702 . 1 . 1 151 151 TYR HD1 H 1 7.005 0.011 . 3 . . . . . 151 TYR HD1 . 27961 1 1703 . 1 . 1 151 151 TYR HD2 H 1 7.005 0.011 . 3 . . . . . 151 TYR HD2 . 27961 1 1704 . 1 . 1 151 151 TYR HE1 H 1 6.596 0.007 . 3 . . . . . 151 TYR HE1 . 27961 1 1705 . 1 . 1 151 151 TYR HE2 H 1 6.596 0.007 . 3 . . . . . 151 TYR HE2 . 27961 1 1706 . 1 . 1 151 151 TYR C C 13 178.333 0.10 . 1 . . . . . 151 TYR C . 27961 1 1707 . 1 . 1 151 151 TYR CA C 13 62.225 0.015 . 1 . . . . . 151 TYR CA . 27961 1 1708 . 1 . 1 151 151 TYR CB C 13 38.640 0.015 . 1 . . . . . 151 TYR CB . 27961 1 1709 . 1 . 1 151 151 TYR CD1 C 13 133.422 0.015 . 1 . . . . . 151 TYR CD1 . 27961 1 1710 . 1 . 1 151 151 TYR CD2 C 13 133.422 0.015 . 1 . . . . . 151 TYR CD2 . 27961 1 1711 . 1 . 1 151 151 TYR CE1 C 13 118.098 0.015 . 1 . . . . . 151 TYR CE1 . 27961 1 1712 . 1 . 1 151 151 TYR CE2 C 13 118.098 0.015 . 1 . . . . . 151 TYR CE2 . 27961 1 1713 . 1 . 1 151 151 TYR N N 15 120.238 0.027 . 1 . . . . . 151 TYR N . 27961 1 1714 . 1 . 1 152 152 LEU H H 1 8.538 0.011 . 1 . . . . . 152 LEU H . 27961 1 1715 . 1 . 1 152 152 LEU HA H 1 3.957 0.013 . 1 . . . . . 152 LEU HA . 27961 1 1716 . 1 . 1 152 152 LEU HB2 H 1 1.282 0.017 . 2 . . . . . 152 LEU HB2 . 27961 1 1717 . 1 . 1 152 152 LEU HB3 H 1 2.023 0.010 . 2 . . . . . 152 LEU HB3 . 27961 1 1718 . 1 . 1 152 152 LEU HG H 1 2.017 0.009 . 1 . . . . . 152 LEU HG . 27961 1 1719 . 1 . 1 152 152 LEU C C 13 180.649 0.10 . 1 . . . . . 152 LEU C . 27961 1 1720 . 1 . 1 152 152 LEU CA C 13 57.434 0.015 . 1 . . . . . 152 LEU CA . 27961 1 1721 . 1 . 1 152 152 LEU CB C 13 41.785 0.015 . 1 . . . . . 152 LEU CB . 27961 1 1722 . 1 . 1 152 152 LEU CG C 13 27.785 0.015 . 1 . . . . . 152 LEU CG . 27961 1 1723 . 1 . 1 152 152 LEU N N 15 120.907 0.083 . 1 . . . . . 152 LEU N . 27961 1 1724 . 1 . 1 153 153 LEU H H 1 8.312 0.008 . 1 . . . . . 153 LEU H . 27961 1 1725 . 1 . 1 153 153 LEU HA H 1 4.133 0.017 . 1 . . . . . 153 LEU HA . 27961 1 1726 . 1 . 1 153 153 LEU HB2 H 1 1.399 0.009 . 2 . . . . . 153 LEU HB2 . 27961 1 1727 . 1 . 1 153 153 LEU HB3 H 1 1.784 0.012 . 2 . . . . . 153 LEU HB3 . 27961 1 1728 . 1 . 1 153 153 LEU HG H 1 1.401 0.008 . 1 . . . . . 153 LEU HG . 27961 1 1729 . 1 . 1 153 153 LEU HD11 H 1 0.780 0.016 . 1 . . . . . 153 LEU MD1 . 27961 1 1730 . 1 . 1 153 153 LEU HD12 H 1 0.780 0.016 . 1 . . . . . 153 LEU MD1 . 27961 1 1731 . 1 . 1 153 153 LEU HD13 H 1 0.780 0.016 . 1 . . . . . 153 LEU MD1 . 27961 1 1732 . 1 . 1 153 153 LEU HD21 H 1 0.780 0.016 . 1 . . . . . 153 LEU MD2 . 27961 1 1733 . 1 . 1 153 153 LEU HD22 H 1 0.780 0.016 . 1 . . . . . 153 LEU MD2 . 27961 1 1734 . 1 . 1 153 153 LEU HD23 H 1 0.780 0.016 . 1 . . . . . 153 LEU MD2 . 27961 1 1735 . 1 . 1 153 153 LEU C C 13 178.628 0.10 . 1 . . . . . 153 LEU C . 27961 1 1736 . 1 . 1 153 153 LEU CA C 13 56.960 0.015 . 1 . . . . . 153 LEU CA . 27961 1 1737 . 1 . 1 153 153 LEU CB C 13 42.189 0.015 . 1 . . . . . 153 LEU CB . 27961 1 1738 . 1 . 1 153 153 LEU CG C 13 25.454 0.015 . 1 . . . . . 153 LEU CG . 27961 1 1739 . 1 . 1 153 153 LEU CD1 C 13 22.449 0.015 . 1 . . . . . 153 LEU CD1 . 27961 1 1740 . 1 . 1 153 153 LEU CD2 C 13 22.449 0.015 . 1 . . . . . 153 LEU CD2 . 27961 1 1741 . 1 . 1 153 153 LEU N N 15 119.488 0.002 . 1 . . . . . 153 LEU N . 27961 1 1742 . 1 . 1 154 154 ALA H H 1 7.248 0.010 . 1 . . . . . 154 ALA H . 27961 1 1743 . 1 . 1 154 154 ALA HA H 1 4.123 0.021 . 1 . . . . . 154 ALA HA . 27961 1 1744 . 1 . 1 154 154 ALA HB1 H 1 1.212 0.003 . 1 . . . . . 154 ALA MB . 27961 1 1745 . 1 . 1 154 154 ALA HB2 H 1 1.212 0.003 . 1 . . . . . 154 ALA MB . 27961 1 1746 . 1 . 1 154 154 ALA HB3 H 1 1.212 0.003 . 1 . . . . . 154 ALA MB . 27961 1 1747 . 1 . 1 154 154 ALA C C 13 176.737 0.10 . 1 . . . . . 154 ALA C . 27961 1 1748 . 1 . 1 154 154 ALA CA C 13 52.785 0.015 . 1 . . . . . 154 ALA CA . 27961 1 1749 . 1 . 1 154 154 ALA CB C 13 18.667 0.015 . 1 . . . . . 154 ALA CB . 27961 1 1750 . 1 . 1 154 154 ALA N N 15 119.747 0.013 . 1 . . . . . 154 ALA N . 27961 1 1751 . 1 . 1 155 155 HIS H H 1 7.248 0.006 . 1 . . . . . 155 HIS H . 27961 1 1752 . 1 . 1 155 155 HIS HA H 1 4.895 0.010 . 1 . . . . . 155 HIS HA . 27961 1 1753 . 1 . 1 155 155 HIS HB2 H 1 2.511 0.013 . 2 . . . . . 155 HIS HB2 . 27961 1 1754 . 1 . 1 155 155 HIS HB3 H 1 2.922 0.024 . 2 . . . . . 155 HIS HB3 . 27961 1 1755 . 1 . 1 155 155 HIS HD2 H 1 6.594 0.006 . 1 . . . . . 155 HIS HD2 . 27961 1 1756 . 1 . 1 155 155 HIS HE1 H 1 8.147 0.008 . 1 . . . . . 155 HIS HE1 . 27961 1 1757 . 1 . 1 155 155 HIS C C 13 173.387 0.10 . 1 . . . . . 155 HIS C . 27961 1 1758 . 1 . 1 155 155 HIS CA C 13 53.145 0.015 . 1 . . . . . 155 HIS CA . 27961 1 1759 . 1 . 1 155 155 HIS CB C 13 28.322 0.015 . 1 . . . . . 155 HIS CB . 27961 1 1760 . 1 . 1 155 155 HIS CD2 C 13 122.347 0.015 . 1 . . . . . 155 HIS CD2 . 27961 1 1761 . 1 . 1 155 155 HIS CE1 C 13 136.505 0.015 . 1 . . . . . 155 HIS CE1 . 27961 1 1762 . 1 . 1 155 155 HIS N N 15 114.948 0.017 . 1 . . . . . 155 HIS N . 27961 1 1763 . 1 . 1 155 155 HIS ND1 N 15 171.451 0.005 . 1 . . . . . 155 HIS ND1 . 27961 1 1764 . 1 . 1 155 155 HIS NE2 N 15 176.894 0.005 . 1 . . . . . 155 HIS NE2 . 27961 1 1765 . 1 . 1 156 156 PRO HA H 1 4.442 0.010 . 1 . . . . . 156 PRO HA . 27961 1 1766 . 1 . 1 156 156 PRO HB2 H 1 2.314 0.014 . 2 . . . . . 156 PRO HB2 . 27961 1 1767 . 1 . 1 156 156 PRO HB3 H 1 1.961 0.017 . 2 . . . . . 156 PRO HB3 . 27961 1 1768 . 1 . 1 156 156 PRO HG2 H 1 1.961 0.020 . 1 . . . . . 156 PRO HG2 . 27961 1 1769 . 1 . 1 156 156 PRO HG3 H 1 1.961 0.020 . 1 . . . . . 156 PRO HG3 . 27961 1 1770 . 1 . 1 156 156 PRO HD2 H 1 3.588 0.015 . 2 . . . . . 156 PRO HD2 . 27961 1 1771 . 1 . 1 156 156 PRO HD3 H 1 3.257 0.014 . 2 . . . . . 156 PRO HD3 . 27961 1 1772 . 1 . 1 156 156 PRO C C 13 175.367 0.10 . 1 . . . . . 156 PRO C . 27961 1 1773 . 1 . 1 156 156 PRO CA C 13 64.831 0.015 . 1 . . . . . 156 PRO CA . 27961 1 1774 . 1 . 1 156 156 PRO CB C 13 32.299 0.015 . 1 . . . . . 156 PRO CB . 27961 1 1775 . 1 . 1 156 156 PRO CG C 13 26.701 0.015 . 1 . . . . . 156 PRO CG . 27961 1 1776 . 1 . 1 156 156 PRO CD C 13 50.924 0.015 . 1 . . . . . 156 PRO CD . 27961 1 1777 . 1 . 1 157 157 ASP H H 1 8.714 0.004 . 1 . . . . . 157 ASP H . 27961 1 1778 . 1 . 1 157 157 ASP HA H 1 4.677 0.015 . 1 . . . . . 157 ASP HA . 27961 1 1779 . 1 . 1 157 157 ASP HB2 H 1 2.690 0.007 . 1 . . . . . 157 ASP HB2 . 27961 1 1780 . 1 . 1 157 157 ASP HB3 H 1 2.690 0.007 . 1 . . . . . 157 ASP HB3 . 27961 1 1781 . 1 . 1 157 157 ASP C C 13 176.757 0.10 . 1 . . . . . 157 ASP C . 27961 1 1782 . 1 . 1 157 157 ASP CA C 13 54.098 0.015 . 1 . . . . . 157 ASP CA . 27961 1 1783 . 1 . 1 157 157 ASP CB C 13 40.125 0.015 . 1 . . . . . 157 ASP CB . 27961 1 1784 . 1 . 1 157 157 ASP N N 15 115.788 0.028 . 1 . . . . . 157 ASP N . 27961 1 1785 . 1 . 1 158 158 THR H H 1 7.568 0.003 . 1 . . . . . 158 THR H . 27961 1 1786 . 1 . 1 158 158 THR HA H 1 4.223 0.014 . 1 . . . . . 158 THR HA . 27961 1 1787 . 1 . 1 158 158 THR HB H 1 3.884 0.014 . 1 . . . . . 158 THR HB . 27961 1 1788 . 1 . 1 158 158 THR HG21 H 1 1.217 0.004 . 1 . . . . . 158 THR MG . 27961 1 1789 . 1 . 1 158 158 THR HG22 H 1 1.217 0.004 . 1 . . . . . 158 THR MG . 27961 1 1790 . 1 . 1 158 158 THR HG23 H 1 1.217 0.004 . 1 . . . . . 158 THR MG . 27961 1 1791 . 1 . 1 158 158 THR C C 13 175.123 0.10 . 1 . . . . . 158 THR C . 27961 1 1792 . 1 . 1 158 158 THR CA C 13 61.022 0.015 . 1 . . . . . 158 THR CA . 27961 1 1793 . 1 . 1 158 158 THR CB C 13 70.639 0.015 . 1 . . . . . 158 THR CB . 27961 1 1794 . 1 . 1 158 158 THR CG2 C 13 22.760 0.001 . 1 . . . . . 158 THR CG2 . 27961 1 1795 . 1 . 1 158 158 THR N N 15 110.957 0.047 . 1 . . . . . 158 THR N . 27961 1 1796 . 1 . 1 159 159 TYR H H 1 8.797 0.005 . 1 . . . . . 159 TYR H . 27961 1 1797 . 1 . 1 159 159 TYR HA H 1 4.109 0.002 . 1 . . . . . 159 TYR HA . 27961 1 1798 . 1 . 1 159 159 TYR HB2 H 1 3.021 0.012 . 2 . . . . . 159 TYR HB2 . 27961 1 1799 . 1 . 1 159 159 TYR HB3 H 1 3.242 0.020 . 2 . . . . . 159 TYR HB3 . 27961 1 1800 . 1 . 1 159 159 TYR HD1 H 1 7.012 0.007 . 3 . . . . . 159 TYR HD1 . 27961 1 1801 . 1 . 1 159 159 TYR HD2 H 1 7.012 0.007 . 3 . . . . . 159 TYR HD2 . 27961 1 1802 . 1 . 1 159 159 TYR HE1 H 1 6.781 0.008 . 3 . . . . . 159 TYR HE1 . 27961 1 1803 . 1 . 1 159 159 TYR HE2 H 1 6.781 0.008 . 3 . . . . . 159 TYR HE2 . 27961 1 1804 . 1 . 1 159 159 TYR C C 13 173.810 0.10 . 1 . . . . . 159 TYR C . 27961 1 1805 . 1 . 1 159 159 TYR CA C 13 60.467 0.015 . 1 . . . . . 159 TYR CA . 27961 1 1806 . 1 . 1 159 159 TYR CB C 13 35.716 0.015 . 1 . . . . . 159 TYR CB . 27961 1 1807 . 1 . 1 159 159 TYR CD1 C 13 133.420 0.015 . 1 . . . . . 159 TYR CD1 . 27961 1 1808 . 1 . 1 159 159 TYR CD2 C 13 133.420 0.015 . 1 . . . . . 159 TYR CD2 . 27961 1 1809 . 1 . 1 159 159 TYR CE1 C 13 117.904 0.015 . 1 . . . . . 159 TYR CE1 . 27961 1 1810 . 1 . 1 159 159 TYR CE2 C 13 117.904 0.015 . 1 . . . . . 159 TYR CE2 . 27961 1 1811 . 1 . 1 159 159 TYR N N 15 118.241 0.001 . 1 . . . . . 159 TYR N . 27961 1 1812 . 1 . 1 160 160 CYS H H 1 7.656 0.005 . 1 . . . . . 160 CYS H . 27961 1 1813 . 1 . 1 160 160 CYS HA H 1 4.379 0.017 . 1 . . . . . 160 CYS HA . 27961 1 1814 . 1 . 1 160 160 CYS HB2 H 1 2.875 0.019 . 1 . . . . . 160 CYS HB2 . 27961 1 1815 . 1 . 1 160 160 CYS HB3 H 1 2.875 0.019 . 1 . . . . . 160 CYS HB3 . 27961 1 1816 . 1 . 1 160 160 CYS C C 13 179.496 0.10 . 1 . . . . . 160 CYS C . 27961 1 1817 . 1 . 1 160 160 CYS CA C 13 60.483 0.015 . 1 . . . . . 160 CYS CA . 27961 1 1818 . 1 . 1 160 160 CYS CB C 13 29.082 0.015 . 1 . . . . . 160 CYS CB . 27961 1 1819 . 1 . 1 160 160 CYS N N 15 119.316 0.041 . 1 . . . . . 160 CYS N . 27961 1 stop_ save_