data_28016 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28016 _Entry.Title ; NMR resonance assignments of the hazelnut allergen isoform Cor a 1.0404 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-13 _Entry.Accession_date 2019-09-13 _Entry.Last_release_date 2019-09-13 _Entry.Original_release_date 2019-09-13 _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 . . . . 28016 2 Ricarda Zeindl . . . . 28016 3 Martin Tollinger . . . . 28016 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28016 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 636 28016 '15N chemical shifts' 151 28016 '1H chemical shifts' 955 28016 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 2019-09-13 update BMRB 'update entry citation' 28016 1 . . 2019-11-08 2019-09-13 original author 'original release' 28016 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27961 'Cor a 1.0402' 28016 BMRB 27965 'Cor a 1.0401' 28016 BMRB 27967 'Cor a 1.0403' 28016 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28016 _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 . . . . 28016 1 2 Ricarda Zeindl . . . . 28016 1 3 Martin Tollinger . . . . 28016 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28016 _Assembly.ID 1 _Assembly.Name 'Cor a 1.0404' _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 1.0404' 1 $Cor_a_1.0404 A . yes native no no . . . 28016 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cor_a_1.0404 _Entity.Sf_category entity _Entity.Sf_framecode Cor_a_1.0404 _Entity.Entry_ID 28016 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cor_a_1.0404 _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 SFVLDADNLIPKVAPQHFTS AENLEGNGGPGTIKKITFAE GNEFKYMKHKVEEIDHANFK YCYSIIEGGPLGHTLEKIPY EIKMAAAPHGGGSILKITSK YHTKGNASINEEEIKAGKEK AAGLFKAVEAYLLAHPDAYC ; _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 17443.85 _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 . 28016 1 2 . VAL . 28016 1 3 . PHE . 28016 1 4 . SER . 28016 1 5 . TYR . 28016 1 6 . GLU . 28016 1 7 . ASP . 28016 1 8 . GLU . 28016 1 9 . ALA . 28016 1 10 . THR . 28016 1 11 . SER . 28016 1 12 . VAL . 28016 1 13 . ILE . 28016 1 14 . PRO . 28016 1 15 . PRO . 28016 1 16 . ALA . 28016 1 17 . ARG . 28016 1 18 . LEU . 28016 1 19 . PHE . 28016 1 20 . LYS . 28016 1 21 . SER . 28016 1 22 . PHE . 28016 1 23 . VAL . 28016 1 24 . LEU . 28016 1 25 . ASP . 28016 1 26 . ALA . 28016 1 27 . ASP . 28016 1 28 . ASN . 28016 1 29 . LEU . 28016 1 30 . ILE . 28016 1 31 . PRO . 28016 1 32 . LYS . 28016 1 33 . VAL . 28016 1 34 . ALA . 28016 1 35 . PRO . 28016 1 36 . GLN . 28016 1 37 . HIS . 28016 1 38 . PHE . 28016 1 39 . THR . 28016 1 40 . SER . 28016 1 41 . ALA . 28016 1 42 . GLU . 28016 1 43 . ASN . 28016 1 44 . LEU . 28016 1 45 . GLU . 28016 1 46 . GLY . 28016 1 47 . ASN . 28016 1 48 . GLY . 28016 1 49 . GLY . 28016 1 50 . PRO . 28016 1 51 . GLY . 28016 1 52 . THR . 28016 1 53 . ILE . 28016 1 54 . LYS . 28016 1 55 . LYS . 28016 1 56 . ILE . 28016 1 57 . THR . 28016 1 58 . PHE . 28016 1 59 . ALA . 28016 1 60 . GLU . 28016 1 61 . GLY . 28016 1 62 . ASN . 28016 1 63 . GLU . 28016 1 64 . PHE . 28016 1 65 . LYS . 28016 1 66 . TYR . 28016 1 67 . MET . 28016 1 68 . LYS . 28016 1 69 . HIS . 28016 1 70 . LYS . 28016 1 71 . VAL . 28016 1 72 . GLU . 28016 1 73 . GLU . 28016 1 74 . ILE . 28016 1 75 . ASP . 28016 1 76 . HIS . 28016 1 77 . ALA . 28016 1 78 . ASN . 28016 1 79 . PHE . 28016 1 80 . LYS . 28016 1 81 . TYR . 28016 1 82 . CYS . 28016 1 83 . TYR . 28016 1 84 . SER . 28016 1 85 . ILE . 28016 1 86 . ILE . 28016 1 87 . GLU . 28016 1 88 . GLY . 28016 1 89 . GLY . 28016 1 90 . PRO . 28016 1 91 . LEU . 28016 1 92 . GLY . 28016 1 93 . HIS . 28016 1 94 . THR . 28016 1 95 . LEU . 28016 1 96 . GLU . 28016 1 97 . LYS . 28016 1 98 . ILE . 28016 1 99 . PRO . 28016 1 100 . TYR . 28016 1 101 . GLU . 28016 1 102 . ILE . 28016 1 103 . LYS . 28016 1 104 . MET . 28016 1 105 . ALA . 28016 1 106 . ALA . 28016 1 107 . ALA . 28016 1 108 . PRO . 28016 1 109 . HIS . 28016 1 110 . GLY . 28016 1 111 . GLY . 28016 1 112 . GLY . 28016 1 113 . SER . 28016 1 114 . ILE . 28016 1 115 . LEU . 28016 1 116 . LYS . 28016 1 117 . ILE . 28016 1 118 . THR . 28016 1 119 . SER . 28016 1 120 . LYS . 28016 1 121 . TYR . 28016 1 122 . HIS . 28016 1 123 . THR . 28016 1 124 . LYS . 28016 1 125 . GLY . 28016 1 126 . ASN . 28016 1 127 . ALA . 28016 1 128 . SER . 28016 1 129 . ILE . 28016 1 130 . ASN . 28016 1 131 . GLU . 28016 1 132 . GLU . 28016 1 133 . GLU . 28016 1 134 . ILE . 28016 1 135 . LYS . 28016 1 136 . ALA . 28016 1 137 . GLY . 28016 1 138 . LYS . 28016 1 139 . GLU . 28016 1 140 . LYS . 28016 1 141 . ALA . 28016 1 142 . ALA . 28016 1 143 . GLY . 28016 1 144 . LEU . 28016 1 145 . PHE . 28016 1 146 . LYS . 28016 1 147 . ALA . 28016 1 148 . VAL . 28016 1 149 . GLU . 28016 1 150 . ALA . 28016 1 151 . TYR . 28016 1 152 . LEU . 28016 1 153 . LEU . 28016 1 154 . ALA . 28016 1 155 . HIS . 28016 1 156 . PRO . 28016 1 157 . ASP . 28016 1 158 . ALA . 28016 1 159 . TYR . 28016 1 160 . CYS . 28016 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 28016 1 . VAL 2 2 28016 1 . PHE 3 3 28016 1 . SER 4 4 28016 1 . TYR 5 5 28016 1 . GLU 6 6 28016 1 . ASP 7 7 28016 1 . GLU 8 8 28016 1 . ALA 9 9 28016 1 . THR 10 10 28016 1 . SER 11 11 28016 1 . VAL 12 12 28016 1 . ILE 13 13 28016 1 . PRO 14 14 28016 1 . PRO 15 15 28016 1 . ALA 16 16 28016 1 . ARG 17 17 28016 1 . LEU 18 18 28016 1 . PHE 19 19 28016 1 . LYS 20 20 28016 1 . SER 21 21 28016 1 . PHE 22 22 28016 1 . VAL 23 23 28016 1 . LEU 24 24 28016 1 . ASP 25 25 28016 1 . ALA 26 26 28016 1 . ASP 27 27 28016 1 . ASN 28 28 28016 1 . LEU 29 29 28016 1 . ILE 30 30 28016 1 . PRO 31 31 28016 1 . LYS 32 32 28016 1 . VAL 33 33 28016 1 . ALA 34 34 28016 1 . PRO 35 35 28016 1 . GLN 36 36 28016 1 . HIS 37 37 28016 1 . PHE 38 38 28016 1 . THR 39 39 28016 1 . SER 40 40 28016 1 . ALA 41 41 28016 1 . GLU 42 42 28016 1 . ASN 43 43 28016 1 . LEU 44 44 28016 1 . GLU 45 45 28016 1 . GLY 46 46 28016 1 . ASN 47 47 28016 1 . GLY 48 48 28016 1 . GLY 49 49 28016 1 . PRO 50 50 28016 1 . GLY 51 51 28016 1 . THR 52 52 28016 1 . ILE 53 53 28016 1 . LYS 54 54 28016 1 . LYS 55 55 28016 1 . ILE 56 56 28016 1 . THR 57 57 28016 1 . PHE 58 58 28016 1 . ALA 59 59 28016 1 . GLU 60 60 28016 1 . GLY 61 61 28016 1 . ASN 62 62 28016 1 . GLU 63 63 28016 1 . PHE 64 64 28016 1 . LYS 65 65 28016 1 . TYR 66 66 28016 1 . MET 67 67 28016 1 . LYS 68 68 28016 1 . HIS 69 69 28016 1 . LYS 70 70 28016 1 . VAL 71 71 28016 1 . GLU 72 72 28016 1 . GLU 73 73 28016 1 . ILE 74 74 28016 1 . ASP 75 75 28016 1 . HIS 76 76 28016 1 . ALA 77 77 28016 1 . ASN 78 78 28016 1 . PHE 79 79 28016 1 . LYS 80 80 28016 1 . TYR 81 81 28016 1 . CYS 82 82 28016 1 . TYR 83 83 28016 1 . SER 84 84 28016 1 . ILE 85 85 28016 1 . ILE 86 86 28016 1 . GLU 87 87 28016 1 . GLY 88 88 28016 1 . GLY 89 89 28016 1 . PRO 90 90 28016 1 . LEU 91 91 28016 1 . GLY 92 92 28016 1 . HIS 93 93 28016 1 . THR 94 94 28016 1 . LEU 95 95 28016 1 . GLU 96 96 28016 1 . LYS 97 97 28016 1 . ILE 98 98 28016 1 . PRO 99 99 28016 1 . TYR 100 100 28016 1 . GLU 101 101 28016 1 . ILE 102 102 28016 1 . LYS 103 103 28016 1 . MET 104 104 28016 1 . ALA 105 105 28016 1 . ALA 106 106 28016 1 . ALA 107 107 28016 1 . PRO 108 108 28016 1 . HIS 109 109 28016 1 . GLY 110 110 28016 1 . GLY 111 111 28016 1 . GLY 112 112 28016 1 . SER 113 113 28016 1 . ILE 114 114 28016 1 . LEU 115 115 28016 1 . LYS 116 116 28016 1 . ILE 117 117 28016 1 . THR 118 118 28016 1 . SER 119 119 28016 1 . LYS 120 120 28016 1 . TYR 121 121 28016 1 . HIS 122 122 28016 1 . THR 123 123 28016 1 . LYS 124 124 28016 1 . GLY 125 125 28016 1 . ASN 126 126 28016 1 . ALA 127 127 28016 1 . SER 128 128 28016 1 . ILE 129 129 28016 1 . ASN 130 130 28016 1 . GLU 131 131 28016 1 . GLU 132 132 28016 1 . GLU 133 133 28016 1 . ILE 134 134 28016 1 . LYS 135 135 28016 1 . ALA 136 136 28016 1 . GLY 137 137 28016 1 . LYS 138 138 28016 1 . GLU 139 139 28016 1 . LYS 140 140 28016 1 . ALA 141 141 28016 1 . ALA 142 142 28016 1 . GLY 143 143 28016 1 . LEU 144 144 28016 1 . PHE 145 145 28016 1 . LYS 146 146 28016 1 . ALA 147 147 28016 1 . VAL 148 148 28016 1 . GLU 149 149 28016 1 . ALA 150 150 28016 1 . TYR 151 151 28016 1 . LEU 152 152 28016 1 . LEU 153 153 28016 1 . ALA 154 154 28016 1 . HIS 155 155 28016 1 . PRO 156 156 28016 1 . ASP 157 157 28016 1 . ALA 158 158 28016 1 . TYR 159 159 28016 1 . CYS 160 160 28016 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 28016 _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_1.0404 . 13451 organism . 'Corylus avellana' 'European Hazlenut' . . Eukaryota Viridiplantae Corylus avellana . . . . . . . . . . . . . 28016 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 28016 _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_1.0404 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Star (DE3)' . . . . . 'pET28b (+)' . . . 28016 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28016 _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 1.0404' '[U-99% 13C; U-99% 15N]' . . 1 $Cor_a_1.0404 . . 0.5 . . mM . . . . 28016 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28016 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 28016 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 28016 _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 1.0404' '[U-99% 15N]' . . 1 $Cor_a_1.0404 . . 0.5 . . mM . . . . 28016 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28016 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 28016 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 28016 _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 28016 1 pressure 1 . atm 28016 1 temperature 298 . K 28016 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28016 _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' . . 28016 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28016 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 28016 _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 28016 _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 . . . 28016 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 28016 _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 . . . . . . . . . . . . . . . . 28016 1 2 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 1 11 '3D (H)CC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28016 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 28016 _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 . . . . . 28016 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.00000000000000 . . . . . 28016 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28016 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 28016 _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' . . . 28016 1 2 '2D 1H-15N HSQC NH2 only' . . . 28016 1 3 '2D 1H-13C HSQC' . . . 28016 1 4 '2D 1H-13C HSQC aromatic' . . . 28016 1 5 '3D HNCO' . . . 28016 1 6 '3D HN(CA)CO' . . . 28016 1 7 '3D HNCACB' . . . 28016 1 8 '3D CBCA(CO)NH' . . . 28016 1 9 '3D HCCH-TOCSY' . . . 28016 1 10 '3D 1H-15N TOCSY' . . . 28016 1 11 '3D (H)CC(CO)NH-TOCSY' . . . 28016 1 12 '3D 1H-15N NOESY' . . . 28016 1 13 '3D 1H-13C NOESY' . . . 28016 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 CA C 13 45.812 0.1 . 1 . . . . . 1 GLY CA . 28016 1 2 . 1 . 1 2 2 VAL H H 1 8.083 0.05 . 1 . . . . . 2 VAL H . 28016 1 3 . 1 . 1 2 2 VAL HA H 1 4.736 0.05 . 1 . . . . . 2 VAL HA . 28016 1 4 . 1 . 1 2 2 VAL HB H 1 1.642 0.05 . 1 . . . . . 2 VAL HB . 28016 1 5 . 1 . 1 2 2 VAL HG11 H 1 0.381 0.05 . 1 . . . . . 2 VAL MG1 . 28016 1 6 . 1 . 1 2 2 VAL HG12 H 1 0.381 0.05 . 1 . . . . . 2 VAL MG1 . 28016 1 7 . 1 . 1 2 2 VAL HG13 H 1 0.381 0.05 . 1 . . . . . 2 VAL MG1 . 28016 1 8 . 1 . 1 2 2 VAL HG21 H 1 0.381 0.05 . 1 . . . . . 2 VAL MG2 . 28016 1 9 . 1 . 1 2 2 VAL HG22 H 1 0.381 0.05 . 1 . . . . . 2 VAL MG2 . 28016 1 10 . 1 . 1 2 2 VAL HG23 H 1 0.381 0.05 . 1 . . . . . 2 VAL MG2 . 28016 1 11 . 1 . 1 2 2 VAL C C 13 174.748 0.10 . 1 . . . . . 2 VAL C . 28016 1 12 . 1 . 1 2 2 VAL CA C 13 61.559 0.015 . 1 . . . . . 2 VAL CA . 28016 1 13 . 1 . 1 2 2 VAL CB C 13 32.893 0.015 . 1 . . . . . 2 VAL CB . 28016 1 14 . 1 . 1 2 2 VAL CG1 C 13 20.442 0.015 . 1 . . . . . 2 VAL CG1 . 28016 1 15 . 1 . 1 2 2 VAL CG2 C 13 20.442 0.015 . 1 . . . . . 2 VAL CG2 . 28016 1 16 . 1 . 1 2 2 VAL N N 15 120.876 0.05 . 1 . . . . . 2 VAL N . 28016 1 17 . 1 . 1 3 3 PHE H H 1 8.629 0.05 . 1 . . . . . 3 PHE H . 28016 1 18 . 1 . 1 3 3 PHE HA H 1 4.681 0.05 . 1 . . . . . 3 PHE HA . 28016 1 19 . 1 . 1 3 3 PHE HB2 H 1 3.000 0.05 . 2 . . . . . 3 PHE HB2 . 28016 1 20 . 1 . 1 3 3 PHE HB3 H 1 3.240 0.05 . 2 . . . . . 3 PHE HB3 . 28016 1 21 . 1 . 1 3 3 PHE HD1 H 1 7.290 0.004 . 3 . . . . . 3 PHE HD1 . 28016 1 22 . 1 . 1 3 3 PHE HD2 H 1 7.290 0.004 . 3 . . . . . 3 PHE HD2 . 28016 1 23 . 1 . 1 3 3 PHE HE1 H 1 7.335 0.003 . 3 . . . . . 3 PHE HE1 . 28016 1 24 . 1 . 1 3 3 PHE HE2 H 1 7.335 0.003 . 3 . . . . . 3 PHE HE2 . 28016 1 25 . 1 . 1 3 3 PHE C C 13 174.479 0.10 . 1 . . . . . 3 PHE C . 28016 1 26 . 1 . 1 3 3 PHE CA C 13 56.605 0.015 . 1 . . . . . 3 PHE CA . 28016 1 27 . 1 . 1 3 3 PHE CB C 13 42.139 0.015 . 1 . . . . . 3 PHE CB . 28016 1 28 . 1 . 1 3 3 PHE CD1 C 13 132.696 0.015 . 1 . . . . . 3 PHE CD1 . 28016 1 29 . 1 . 1 3 3 PHE CD2 C 13 132.696 0.015 . 1 . . . . . 3 PHE CD2 . 28016 1 30 . 1 . 1 3 3 PHE CE1 C 13 131.271 0.015 . 1 . . . . . 3 PHE CE1 . 28016 1 31 . 1 . 1 3 3 PHE CE2 C 13 131.271 0.015 . 1 . . . . . 3 PHE CE2 . 28016 1 32 . 1 . 1 3 3 PHE N N 15 128.114 0.05 . 1 . . . . . 3 PHE N . 28016 1 33 . 1 . 1 4 4 SER H H 1 8.408 0.05 . 1 . . . . . 4 SER H . 28016 1 34 . 1 . 1 4 4 SER HA H 1 5.396 0.05 . 1 . . . . . 4 SER HA . 28016 1 35 . 1 . 1 4 4 SER HB2 H 1 3.576 0.05 . 1 . . . . . 4 SER HB2 . 28016 1 36 . 1 . 1 4 4 SER HB3 H 1 3.576 0.05 . 1 . . . . . 4 SER HB3 . 28016 1 37 . 1 . 1 4 4 SER C C 13 172.922 0.10 . 1 . . . . . 4 SER C . 28016 1 38 . 1 . 1 4 4 SER CA C 13 57.084 0.015 . 1 . . . . . 4 SER CA . 28016 1 39 . 1 . 1 4 4 SER CB C 13 64.845 0.015 . 1 . . . . . 4 SER CB . 28016 1 40 . 1 . 1 4 4 SER N N 15 118.534 0.05 . 1 . . . . . 4 SER N . 28016 1 41 . 1 . 1 5 5 TYR H H 1 9.152 0.05 . 1 . . . . . 5 TYR H . 28016 1 42 . 1 . 1 5 5 TYR HA H 1 4.802 0.05 . 1 . . . . . 5 TYR HA . 28016 1 43 . 1 . 1 5 5 TYR HB2 H 1 2.922 0.05 . 2 . . . . . 5 TYR HB2 . 28016 1 44 . 1 . 1 5 5 TYR HB3 H 1 3.112 0.05 . 2 . . . . . 5 TYR HB3 . 28016 1 45 . 1 . 1 5 5 TYR HD1 H 1 7.149 0.007 . 3 . . . . . 5 TYR HD1 . 28016 1 46 . 1 . 1 5 5 TYR HD2 H 1 7.149 0.007 . 3 . . . . . 5 TYR HD2 . 28016 1 47 . 1 . 1 5 5 TYR HE1 H 1 6.602 0.003 . 3 . . . . . 5 TYR HE1 . 28016 1 48 . 1 . 1 5 5 TYR HE2 H 1 6.602 0.003 . 3 . . . . . 5 TYR HE2 . 28016 1 49 . 1 . 1 5 5 TYR C C 13 174.013 0.10 . 1 . . . . . 5 TYR C . 28016 1 50 . 1 . 1 5 5 TYR CA C 13 57.765 0.015 . 1 . . . . . 5 TYR CA . 28016 1 51 . 1 . 1 5 5 TYR CB C 13 41.882 0.015 . 1 . . . . . 5 TYR CB . 28016 1 52 . 1 . 1 5 5 TYR CD1 C 13 133.374 0.015 . 1 . . . . . 5 TYR CD1 . 28016 1 53 . 1 . 1 5 5 TYR CD2 C 13 133.374 0.015 . 1 . . . . . 5 TYR CD2 . 28016 1 54 . 1 . 1 5 5 TYR CE1 C 13 118.241 0.015 . 1 . . . . . 5 TYR CE1 . 28016 1 55 . 1 . 1 5 5 TYR CE2 C 13 118.241 0.015 . 1 . . . . . 5 TYR CE2 . 28016 1 56 . 1 . 1 5 5 TYR N N 15 123.936 0.05 . 1 . . . . . 5 TYR N . 28016 1 57 . 1 . 1 6 6 GLU H H 1 8.509 0.05 . 1 . . . . . 6 GLU H . 28016 1 58 . 1 . 1 6 6 GLU HA H 1 5.241 0.05 . 1 . . . . . 6 GLU HA . 28016 1 59 . 1 . 1 6 6 GLU HB2 H 1 1.894 0.05 . 1 . . . . . 6 GLU HB2 . 28016 1 60 . 1 . 1 6 6 GLU HB3 H 1 1.894 0.05 . 1 . . . . . 6 GLU HB3 . 28016 1 61 . 1 . 1 6 6 GLU HG2 H 1 2.161 0.05 . 1 . . . . . 6 GLU HG2 . 28016 1 62 . 1 . 1 6 6 GLU HG3 H 1 2.161 0.05 . 1 . . . . . 6 GLU HG3 . 28016 1 63 . 1 . 1 6 6 GLU C C 13 174.721 0.10 . 1 . . . . . 6 GLU C . 28016 1 64 . 1 . 1 6 6 GLU CA C 13 55.058 0.015 . 1 . . . . . 6 GLU CA . 28016 1 65 . 1 . 1 6 6 GLU CB C 13 33.401 0.015 . 1 . . . . . 6 GLU CB . 28016 1 66 . 1 . 1 6 6 GLU CG C 13 36.356 0.015 . 1 . . . . . 6 GLU CG . 28016 1 67 . 1 . 1 6 6 GLU N N 15 121.506 0.05 . 1 . . . . . 6 GLU N . 28016 1 68 . 1 . 1 7 7 ASP H H 1 8.949 0.05 . 1 . . . . . 7 ASP H . 28016 1 69 . 1 . 1 7 7 ASP HA H 1 5.131 0.05 . 1 . . . . . 7 ASP HA . 28016 1 70 . 1 . 1 7 7 ASP HB2 H 1 2.643 0.05 . 1 . . . . . 7 ASP HB2 . 28016 1 71 . 1 . 1 7 7 ASP HB3 H 1 2.643 0.05 . 1 . . . . . 7 ASP HB3 . 28016 1 72 . 1 . 1 7 7 ASP C C 13 174.409 0.10 . 1 . . . . . 7 ASP C . 28016 1 73 . 1 . 1 7 7 ASP CA C 13 53.241 0.015 . 1 . . . . . 7 ASP CA . 28016 1 74 . 1 . 1 7 7 ASP CB C 13 45.389 0.015 . 1 . . . . . 7 ASP CB . 28016 1 75 . 1 . 1 7 7 ASP N N 15 123.629 0.05 . 1 . . . . . 7 ASP N . 28016 1 76 . 1 . 1 8 8 GLU H H 1 8.587 0.05 . 1 . . . . . 8 GLU H . 28016 1 77 . 1 . 1 8 8 GLU HA H 1 5.469 0.05 . 1 . . . . . 8 GLU HA . 28016 1 78 . 1 . 1 8 8 GLU HB2 H 1 2.004 0.05 . 1 . . . . . 8 GLU HB2 . 28016 1 79 . 1 . 1 8 8 GLU HB3 H 1 2.004 0.05 . 1 . . . . . 8 GLU HB3 . 28016 1 80 . 1 . 1 8 8 GLU HG2 H 1 2.133 0.05 . 1 . . . . . 8 GLU HG2 . 28016 1 81 . 1 . 1 8 8 GLU HG3 H 1 2.133 0.05 . 1 . . . . . 8 GLU HG3 . 28016 1 82 . 1 . 1 8 8 GLU C C 13 174.991 0.10 . 1 . . . . . 8 GLU C . 28016 1 83 . 1 . 1 8 8 GLU CA C 13 54.596 0.015 . 1 . . . . . 8 GLU CA . 28016 1 84 . 1 . 1 8 8 GLU CB C 13 33.816 0.015 . 1 . . . . . 8 GLU CB . 28016 1 85 . 1 . 1 8 8 GLU CG C 13 37.214 0.015 . 1 . . . . . 8 GLU CG . 28016 1 86 . 1 . 1 8 8 GLU N N 15 121.944 0.05 . 1 . . . . . 8 GLU N . 28016 1 87 . 1 . 1 9 9 ALA H H 1 8.962 0.05 . 1 . . . . . 9 ALA H . 28016 1 88 . 1 . 1 9 9 ALA HA H 1 5.194 0.05 . 1 . . . . . 9 ALA HA . 28016 1 89 . 1 . 1 9 9 ALA HB1 H 1 1.169 0.05 . 1 . . . . . 9 ALA MB . 28016 1 90 . 1 . 1 9 9 ALA HB2 H 1 1.169 0.05 . 1 . . . . . 9 ALA MB . 28016 1 91 . 1 . 1 9 9 ALA HB3 H 1 1.169 0.05 . 1 . . . . . 9 ALA MB . 28016 1 92 . 1 . 1 9 9 ALA C C 13 175.479 0.10 . 1 . . . . . 9 ALA C . 28016 1 93 . 1 . 1 9 9 ALA CA C 13 50.845 0.015 . 1 . . . . . 9 ALA CA . 28016 1 94 . 1 . 1 9 9 ALA CB C 13 22.664 0.015 . 1 . . . . . 9 ALA CB . 28016 1 95 . 1 . 1 9 9 ALA N N 15 126.151 0.05 . 1 . . . . . 9 ALA N . 28016 1 96 . 1 . 1 10 10 THR H H 1 8.364 0.05 . 1 . . . . . 10 THR H . 28016 1 97 . 1 . 1 10 10 THR HA H 1 5.029 0.05 . 1 . . . . . 10 THR HA . 28016 1 98 . 1 . 1 10 10 THR HB H 1 4.256 0.05 . 1 . . . . . 10 THR HB . 28016 1 99 . 1 . 1 10 10 THR HG21 H 1 1.213 0.05 . 1 . . . . . 10 THR MG . 28016 1 100 . 1 . 1 10 10 THR HG22 H 1 1.213 0.05 . 1 . . . . . 10 THR MG . 28016 1 101 . 1 . 1 10 10 THR HG23 H 1 1.213 0.05 . 1 . . . . . 10 THR MG . 28016 1 102 . 1 . 1 10 10 THR C C 13 173.389 0.10 . 1 . . . . . 10 THR C . 28016 1 103 . 1 . 1 10 10 THR CA C 13 60.003 0.015 . 1 . . . . . 10 THR CA . 28016 1 104 . 1 . 1 10 10 THR CB C 13 71.325 0.015 . 1 . . . . . 10 THR CB . 28016 1 105 . 1 . 1 10 10 THR CG2 C 13 21.743 0.015 . 1 . . . . . 10 THR CG2 . 28016 1 106 . 1 . 1 10 10 THR N N 15 110.660 0.05 . 1 . . . . . 10 THR N . 28016 1 107 . 1 . 1 11 11 SER H H 1 8.372 0.05 . 1 . . . . . 11 SER H . 28016 1 108 . 1 . 1 11 11 SER HA H 1 5.119 0.05 . 1 . . . . . 11 SER HA . 28016 1 109 . 1 . 1 11 11 SER HB2 H 1 3.366 0.05 . 2 . . . . . 11 SER HB2 . 28016 1 110 . 1 . 1 11 11 SER HB3 H 1 3.804 0.05 . 2 . . . . . 11 SER HB3 . 28016 1 111 . 1 . 1 11 11 SER C C 13 175.413 0.10 . 1 . . . . . 11 SER C . 28016 1 112 . 1 . 1 11 11 SER CA C 13 55.953 0.015 . 1 . . . . . 11 SER CA . 28016 1 113 . 1 . 1 11 11 SER CB C 13 65.858 0.015 . 1 . . . . . 11 SER CB . 28016 1 114 . 1 . 1 11 11 SER N N 15 112.947 0.05 . 1 . . . . . 11 SER N . 28016 1 115 . 1 . 1 12 12 VAL H H 1 8.264 0.05 . 1 . . . . . 12 VAL H . 28016 1 116 . 1 . 1 12 12 VAL HA H 1 4.358 0.05 . 1 . . . . . 12 VAL HA . 28016 1 117 . 1 . 1 12 12 VAL HB H 1 2.431 0.05 . 1 . . . . . 12 VAL HB . 28016 1 118 . 1 . 1 12 12 VAL HG11 H 1 1.017 0.05 . 1 . . . . . 12 VAL MG1 . 28016 1 119 . 1 . 1 12 12 VAL HG12 H 1 1.017 0.05 . 1 . . . . . 12 VAL MG1 . 28016 1 120 . 1 . 1 12 12 VAL HG13 H 1 1.017 0.05 . 1 . . . . . 12 VAL MG1 . 28016 1 121 . 1 . 1 12 12 VAL HG21 H 1 1.017 0.05 . 1 . . . . . 12 VAL MG2 . 28016 1 122 . 1 . 1 12 12 VAL HG22 H 1 1.017 0.05 . 1 . . . . . 12 VAL MG2 . 28016 1 123 . 1 . 1 12 12 VAL HG23 H 1 1.017 0.05 . 1 . . . . . 12 VAL MG2 . 28016 1 124 . 1 . 1 12 12 VAL C C 13 175.906 0.10 . 1 . . . . . 12 VAL C . 28016 1 125 . 1 . 1 12 12 VAL CA C 13 62.712 0.015 . 1 . . . . . 12 VAL CA . 28016 1 126 . 1 . 1 12 12 VAL CB C 13 31.264 0.015 . 1 . . . . . 12 VAL CB . 28016 1 127 . 1 . 1 12 12 VAL CG1 C 13 18.879 0.015 . 2 . . . . . 12 VAL CG1 . 28016 1 128 . 1 . 1 12 12 VAL CG2 C 13 21.357 0.015 . 2 . . . . . 12 VAL CG2 . 28016 1 129 . 1 . 1 12 12 VAL N N 15 120.822 0.05 . 1 . . . . . 12 VAL N . 28016 1 130 . 1 . 1 13 13 ILE H H 1 8.546 0.05 . 1 . . . . . 13 ILE H . 28016 1 131 . 1 . 1 13 13 ILE HA H 1 4.403 0.05 . 1 . . . . . 13 ILE HA . 28016 1 132 . 1 . 1 13 13 ILE HB H 1 2.053 0.05 . 1 . . . . . 13 ILE HB . 28016 1 133 . 1 . 1 13 13 ILE HG21 H 1 1.147 0.05 . 1 . . . . . 13 ILE MG . 28016 1 134 . 1 . 1 13 13 ILE HG22 H 1 1.147 0.05 . 1 . . . . . 13 ILE MG . 28016 1 135 . 1 . 1 13 13 ILE HG23 H 1 1.147 0.05 . 1 . . . . . 13 ILE MG . 28016 1 136 . 1 . 1 13 13 ILE HD11 H 1 0.822 0.05 . 1 . . . . . 13 ILE MD . 28016 1 137 . 1 . 1 13 13 ILE HD12 H 1 0.822 0.05 . 1 . . . . . 13 ILE MD . 28016 1 138 . 1 . 1 13 13 ILE HD13 H 1 0.822 0.05 . 1 . . . . . 13 ILE MD . 28016 1 139 . 1 . 1 13 13 ILE C C 13 173.604 0.10 . 1 . . . . . 13 ILE C . 28016 1 140 . 1 . 1 13 13 ILE CA C 13 57.041 0.015 . 1 . . . . . 13 ILE CA . 28016 1 141 . 1 . 1 13 13 ILE CB C 13 37.386 0.015 . 1 . . . . . 13 ILE CB . 28016 1 142 . 1 . 1 13 13 ILE CG2 C 13 16.877 0.015 . 1 . . . . . 13 ILE CG2 . 28016 1 143 . 1 . 1 13 13 ILE CD1 C 13 11.585 0.015 . 1 . . . . . 13 ILE CD1 . 28016 1 144 . 1 . 1 13 13 ILE N N 15 125.238 0.05 . 1 . . . . . 13 ILE N . 28016 1 145 . 1 . 1 15 15 PRO HA H 1 3.922 0.05 . 1 . . . . . 15 PRO HA . 28016 1 146 . 1 . 1 15 15 PRO HB2 H 1 1.384 0.05 . 2 . . . . . 15 PRO HB2 . 28016 1 147 . 1 . 1 15 15 PRO HB3 H 1 1.822 0.05 . 2 . . . . . 15 PRO HB3 . 28016 1 148 . 1 . 1 15 15 PRO HG2 H 1 0.949 0.05 . 1 . . . . . 15 PRO HG2 . 28016 1 149 . 1 . 1 15 15 PRO HG3 H 1 0.949 0.05 . 1 . . . . . 15 PRO HG3 . 28016 1 150 . 1 . 1 15 15 PRO HD2 H 1 3.605 0.05 . 1 . . . . . 15 PRO HD2 . 28016 1 151 . 1 . 1 15 15 PRO HD3 H 1 3.605 0.05 . 1 . . . . . 15 PRO HD3 . 28016 1 152 . 1 . 1 15 15 PRO C C 13 177.585 0.10 . 1 . . . . . 15 PRO C . 28016 1 153 . 1 . 1 15 15 PRO CA C 13 65.690 0.015 . 1 . . . . . 15 PRO CA . 28016 1 154 . 1 . 1 15 15 PRO CB C 13 30.513 0.015 . 1 . . . . . 15 PRO CB . 28016 1 155 . 1 . 1 15 15 PRO CG C 13 26.966 0.015 . 1 . . . . . 15 PRO CG . 28016 1 156 . 1 . 1 15 15 PRO CD C 13 50.267 0.015 . 1 . . . . . 15 PRO CD . 28016 1 157 . 1 . 1 16 16 ALA H H 1 8.257 0.05 . 1 . . . . . 16 ALA H . 28016 1 158 . 1 . 1 16 16 ALA HA H 1 3.883 0.05 . 1 . . . . . 16 ALA HA . 28016 1 159 . 1 . 1 16 16 ALA HB1 H 1 1.507 0.05 . 1 . . . . . 16 ALA MB . 28016 1 160 . 1 . 1 16 16 ALA HB2 H 1 1.507 0.05 . 1 . . . . . 16 ALA MB . 28016 1 161 . 1 . 1 16 16 ALA HB3 H 1 1.507 0.05 . 1 . . . . . 16 ALA MB . 28016 1 162 . 1 . 1 16 16 ALA C C 13 180.124 0.10 . 1 . . . . . 16 ALA C . 28016 1 163 . 1 . 1 16 16 ALA CA C 13 55.646 0.015 . 1 . . . . . 16 ALA CA . 28016 1 164 . 1 . 1 16 16 ALA CB C 13 18.319 0.015 . 1 . . . . . 16 ALA CB . 28016 1 165 . 1 . 1 16 16 ALA N N 15 117.912 0.05 . 1 . . . . . 16 ALA N . 28016 1 166 . 1 . 1 17 17 ARG H H 1 6.822 0.05 . 1 . . . . . 17 ARG H . 28016 1 167 . 1 . 1 17 17 ARG HA H 1 4.202 0.05 . 1 . . . . . 17 ARG HA . 28016 1 168 . 1 . 1 17 17 ARG HB2 H 1 1.737 0.05 . 1 . . . . . 17 ARG HB2 . 28016 1 169 . 1 . 1 17 17 ARG HB3 H 1 1.737 0.05 . 1 . . . . . 17 ARG HB3 . 28016 1 170 . 1 . 1 17 17 ARG HG2 H 1 1.359 0.05 . 1 . . . . . 17 ARG HG2 . 28016 1 171 . 1 . 1 17 17 ARG HG3 H 1 1.359 0.05 . 1 . . . . . 17 ARG HG3 . 28016 1 172 . 1 . 1 17 17 ARG HD2 H 1 3.265 0.05 . 1 . . . . . 17 ARG HD2 . 28016 1 173 . 1 . 1 17 17 ARG HD3 H 1 3.265 0.05 . 1 . . . . . 17 ARG HD3 . 28016 1 174 . 1 . 1 17 17 ARG HE H 1 6.703 0.05 . 1 . . . . . 17 ARG HE . 28016 1 175 . 1 . 1 17 17 ARG C C 13 179.073 0.10 . 1 . . . . . 17 ARG C . 28016 1 176 . 1 . 1 17 17 ARG CA C 13 58.871 0.015 . 1 . . . . . 17 ARG CA . 28016 1 177 . 1 . 1 17 17 ARG CB C 13 30.155 0.015 . 1 . . . . . 17 ARG CB . 28016 1 178 . 1 . 1 17 17 ARG CG C 13 28.911 0.015 . 1 . . . . . 17 ARG CG . 28016 1 179 . 1 . 1 17 17 ARG CD C 13 44.199 0.015 . 1 . . . . . 17 ARG CD . 28016 1 180 . 1 . 1 17 17 ARG N N 15 116.079 0.05 . 1 . . . . . 17 ARG N . 28016 1 181 . 1 . 1 17 17 ARG NE N 15 85.501 0.05 . 1 . . . . . 17 ARG NE . 28016 1 182 . 1 . 1 18 18 LEU H H 1 7.681 0.05 . 1 . . . . . 18 LEU H . 28016 1 183 . 1 . 1 18 18 LEU HA H 1 3.842 0.05 . 1 . . . . . 18 LEU HA . 28016 1 184 . 1 . 1 18 18 LEU HB2 H 1 1.564 0.05 . 1 . . . . . 18 LEU HB2 . 28016 1 185 . 1 . 1 18 18 LEU HB3 H 1 1.564 0.05 . 1 . . . . . 18 LEU HB3 . 28016 1 186 . 1 . 1 18 18 LEU HG H 1 1.564 0.05 . 1 . . . . . 18 LEU HG . 28016 1 187 . 1 . 1 18 18 LEU HD11 H 1 0.831 0.05 . 1 . . . . . 18 LEU MD1 . 28016 1 188 . 1 . 1 18 18 LEU HD12 H 1 0.831 0.05 . 1 . . . . . 18 LEU MD1 . 28016 1 189 . 1 . 1 18 18 LEU HD13 H 1 0.831 0.05 . 1 . . . . . 18 LEU MD1 . 28016 1 190 . 1 . 1 18 18 LEU HD21 H 1 0.831 0.05 . 1 . . . . . 18 LEU MD2 . 28016 1 191 . 1 . 1 18 18 LEU HD22 H 1 0.831 0.05 . 1 . . . . . 18 LEU MD2 . 28016 1 192 . 1 . 1 18 18 LEU HD23 H 1 0.831 0.05 . 1 . . . . . 18 LEU MD2 . 28016 1 193 . 1 . 1 18 18 LEU C C 13 177.894 0.10 . 1 . . . . . 18 LEU C . 28016 1 194 . 1 . 1 18 18 LEU CA C 13 57.075 0.015 . 1 . . . . . 18 LEU CA . 28016 1 195 . 1 . 1 18 18 LEU CB C 13 42.713 0.015 . 1 . . . . . 18 LEU CB . 28016 1 196 . 1 . 1 18 18 LEU CD1 C 13 24.216 0.015 . 1 . . . . . 18 LEU CD1 . 28016 1 197 . 1 . 1 18 18 LEU CD2 C 13 24.216 0.015 . 1 . . . . . 18 LEU CD2 . 28016 1 198 . 1 . 1 18 18 LEU N N 15 120.994 0.05 . 1 . . . . . 18 LEU N . 28016 1 199 . 1 . 1 19 19 PHE H H 1 9.194 0.05 . 1 . . . . . 19 PHE H . 28016 1 200 . 1 . 1 19 19 PHE HA H 1 3.917 0.05 . 1 . . . . . 19 PHE HA . 28016 1 201 . 1 . 1 19 19 PHE HB2 H 1 3.335 0.05 . 2 . . . . . 19 PHE HB2 . 28016 1 202 . 1 . 1 19 19 PHE HB3 H 1 2.982 0.05 . 2 . . . . . 19 PHE HB3 . 28016 1 203 . 1 . 1 19 19 PHE C C 13 177.989 0.10 . 1 . . . . . 19 PHE C . 28016 1 204 . 1 . 1 19 19 PHE CA C 13 62.798 0.015 . 1 . . . . . 19 PHE CA . 28016 1 205 . 1 . 1 19 19 PHE CB C 13 39.986 0.015 . 1 . . . . . 19 PHE CB . 28016 1 206 . 1 . 1 19 19 PHE N N 15 120.104 0.05 . 1 . . . . . 19 PHE N . 28016 1 207 . 1 . 1 20 20 LYS H H 1 7.898 0.05 . 1 . . . . . 20 LYS H . 28016 1 208 . 1 . 1 20 20 LYS HA H 1 3.878 0.05 . 1 . . . . . 20 LYS HA . 28016 1 209 . 1 . 1 20 20 LYS HB2 H 1 2.038 0.05 . 1 . . . . . 20 LYS HB2 . 28016 1 210 . 1 . 1 20 20 LYS HB3 H 1 2.038 0.05 . 1 . . . . . 20 LYS HB3 . 28016 1 211 . 1 . 1 20 20 LYS HG2 H 1 1.823 0.05 . 1 . . . . . 20 LYS HG2 . 28016 1 212 . 1 . 1 20 20 LYS HG3 H 1 1.823 0.05 . 1 . . . . . 20 LYS HG3 . 28016 1 213 . 1 . 1 20 20 LYS HD2 H 1 2.038 0.05 . 1 . . . . . 20 LYS HD2 . 28016 1 214 . 1 . 1 20 20 LYS HD3 H 1 2.038 0.05 . 1 . . . . . 20 LYS HD3 . 28016 1 215 . 1 . 1 20 20 LYS HE2 H 1 3.045 0.05 . 1 . . . . . 20 LYS HE2 . 28016 1 216 . 1 . 1 20 20 LYS HE3 H 1 3.045 0.05 . 1 . . . . . 20 LYS HE3 . 28016 1 217 . 1 . 1 20 20 LYS C C 13 174.870 0.10 . 1 . . . . . 20 LYS C . 28016 1 218 . 1 . 1 20 20 LYS CA C 13 59.320 0.015 . 1 . . . . . 20 LYS CA . 28016 1 219 . 1 . 1 20 20 LYS CB C 13 33.617 0.015 . 1 . . . . . 20 LYS CB . 28016 1 220 . 1 . 1 20 20 LYS CG C 13 25.799 0.015 . 1 . . . . . 20 LYS CG . 28016 1 221 . 1 . 1 20 20 LYS CD C 13 29.787 0.015 . 1 . . . . . 20 LYS CD . 28016 1 222 . 1 . 1 20 20 LYS CE C 13 41.915 0.015 . 1 . . . . . 20 LYS CE . 28016 1 223 . 1 . 1 20 20 LYS N N 15 116.083 0.05 . 1 . . . . . 20 LYS N . 28016 1 224 . 1 . 1 21 21 SER H H 1 6.995 0.05 . 1 . . . . . 21 SER H . 28016 1 225 . 1 . 1 21 21 SER HA H 1 3.995 0.05 . 1 . . . . . 21 SER HA . 28016 1 226 . 1 . 1 21 21 SER HB2 H 1 3.317 0.05 . 1 . . . . . 21 SER HB2 . 28016 1 227 . 1 . 1 21 21 SER HB3 H 1 3.317 0.05 . 1 . . . . . 21 SER HB3 . 28016 1 228 . 1 . 1 21 21 SER C C 13 173.145 0.10 . 1 . . . . . 21 SER C . 28016 1 229 . 1 . 1 21 21 SER CA C 13 57.751 0.015 . 1 . . . . . 21 SER CA . 28016 1 230 . 1 . 1 21 21 SER CB C 13 62.622 0.015 . 1 . . . . . 21 SER CB . 28016 1 231 . 1 . 1 21 21 SER N N 15 110.258 0.05 . 1 . . . . . 21 SER N . 28016 1 232 . 1 . 1 22 22 PHE H H 1 8.337 0.05 . 1 . . . . . 22 PHE H . 28016 1 233 . 1 . 1 22 22 PHE HB2 H 1 3.000 0.05 . 1 . . . . . 22 PHE HB2 . 28016 1 234 . 1 . 1 22 22 PHE HB3 H 1 3.000 0.05 . 1 . . . . . 22 PHE HB3 . 28016 1 235 . 1 . 1 22 22 PHE HD1 H 1 6.888 0.001 . 3 . . . . . 22 PHE HD1 . 28016 1 236 . 1 . 1 22 22 PHE HD2 H 1 6.888 0.001 . 3 . . . . . 22 PHE HD2 . 28016 1 237 . 1 . 1 22 22 PHE HE1 H 1 7.052 0.05 . 3 . . . . . 22 PHE HE1 . 28016 1 238 . 1 . 1 22 22 PHE HE2 H 1 7.052 0.05 . 3 . . . . . 22 PHE HE2 . 28016 1 239 . 1 . 1 22 22 PHE C C 13 173.186 0.10 . 1 . . . . . 22 PHE C . 28016 1 240 . 1 . 1 22 22 PHE CA C 13 59.560 0.015 . 1 . . . . . 22 PHE CA . 28016 1 241 . 1 . 1 22 22 PHE CB C 13 40.731 0.015 . 1 . . . . . 22 PHE CB . 28016 1 242 . 1 . 1 22 22 PHE CD1 C 13 131.149 0.015 . 1 . . . . . 22 PHE CD1 . 28016 1 243 . 1 . 1 22 22 PHE CD2 C 13 131.149 0.015 . 1 . . . . . 22 PHE CD2 . 28016 1 244 . 1 . 1 22 22 PHE CE1 C 13 130.714 0.015 . 1 . . . . . 22 PHE CE1 . 28016 1 245 . 1 . 1 22 22 PHE CE2 C 13 130.714 0.015 . 1 . . . . . 22 PHE CE2 . 28016 1 246 . 1 . 1 22 22 PHE N N 15 119.984 0.05 . 1 . . . . . 22 PHE N . 28016 1 247 . 1 . 1 23 23 VAL H H 1 6.584 0.05 . 1 . . . . . 23 VAL H . 28016 1 248 . 1 . 1 23 23 VAL HA H 1 3.420 0.05 . 1 . . . . . 23 VAL HA . 28016 1 249 . 1 . 1 23 23 VAL HB H 1 1.425 0.05 . 1 . . . . . 23 VAL HB . 28016 1 250 . 1 . 1 23 23 VAL HG11 H 1 -0.363 0.009 . 2 . . . . . 23 VAL MG1 . 28016 1 251 . 1 . 1 23 23 VAL HG12 H 1 -0.363 0.009 . 2 . . . . . 23 VAL MG1 . 28016 1 252 . 1 . 1 23 23 VAL HG13 H 1 -0.363 0.009 . 2 . . . . . 23 VAL MG1 . 28016 1 253 . 1 . 1 23 23 VAL HG21 H 1 0.606 0.05 . 2 . . . . . 23 VAL MG2 . 28016 1 254 . 1 . 1 23 23 VAL HG22 H 1 0.606 0.05 . 2 . . . . . 23 VAL MG2 . 28016 1 255 . 1 . 1 23 23 VAL HG23 H 1 0.606 0.05 . 2 . . . . . 23 VAL MG2 . 28016 1 256 . 1 . 1 23 23 VAL C C 13 178.415 0.10 . 1 . . . . . 23 VAL C . 28016 1 257 . 1 . 1 23 23 VAL CA C 13 63.445 0.015 . 1 . . . . . 23 VAL CA . 28016 1 258 . 1 . 1 23 23 VAL CB C 13 30.087 0.015 . 1 . . . . . 23 VAL CB . 28016 1 259 . 1 . 1 23 23 VAL CG1 C 13 19.858 0.056 . 2 . . . . . 23 VAL CG1 . 28016 1 260 . 1 . 1 23 23 VAL CG2 C 13 21.704 0.015 . 2 . . . . . 23 VAL CG2 . 28016 1 261 . 1 . 1 23 23 VAL N N 15 109.753 0.05 . 1 . . . . . 23 VAL N . 28016 1 262 . 1 . 1 24 24 LEU H H 1 7.665 0.05 . 1 . . . . . 24 LEU H . 28016 1 263 . 1 . 1 24 24 LEU HA H 1 3.690 0.05 . 1 . . . . . 24 LEU HA . 28016 1 264 . 1 . 1 24 24 LEU HB2 H 1 1.490 0.05 . 2 . . . . . 24 LEU HB2 . 28016 1 265 . 1 . 1 24 24 LEU HB3 H 1 1.941 0.05 . 2 . . . . . 24 LEU HB3 . 28016 1 266 . 1 . 1 24 24 LEU HG H 1 1.074 0.05 . 1 . . . . . 24 LEU HG . 28016 1 267 . 1 . 1 24 24 LEU HD11 H 1 0.651 0.05 . 1 . . . . . 24 LEU MD1 . 28016 1 268 . 1 . 1 24 24 LEU HD12 H 1 0.651 0.05 . 1 . . . . . 24 LEU MD1 . 28016 1 269 . 1 . 1 24 24 LEU HD13 H 1 0.651 0.05 . 1 . . . . . 24 LEU MD1 . 28016 1 270 . 1 . 1 24 24 LEU HD21 H 1 0.651 0.05 . 1 . . . . . 24 LEU MD2 . 28016 1 271 . 1 . 1 24 24 LEU HD22 H 1 0.651 0.05 . 1 . . . . . 24 LEU MD2 . 28016 1 272 . 1 . 1 24 24 LEU HD23 H 1 0.651 0.05 . 1 . . . . . 24 LEU MD2 . 28016 1 273 . 1 . 1 24 24 LEU C C 13 177.818 0.10 . 1 . . . . . 24 LEU C . 28016 1 274 . 1 . 1 24 24 LEU CA C 13 57.462 0.015 . 1 . . . . . 24 LEU CA . 28016 1 275 . 1 . 1 24 24 LEU CB C 13 40.177 0.015 . 1 . . . . . 24 LEU CB . 28016 1 276 . 1 . 1 24 24 LEU CG C 13 26.149 0.015 . 1 . . . . . 24 LEU CG . 28016 1 277 . 1 . 1 24 24 LEU CD1 C 13 21.832 0.015 . 1 . . . . . 24 LEU CD1 . 28016 1 278 . 1 . 1 24 24 LEU CD2 C 13 21.832 0.015 . 1 . . . . . 24 LEU CD2 . 28016 1 279 . 1 . 1 24 24 LEU N N 15 114.742 0.05 . 1 . . . . . 24 LEU N . 28016 1 280 . 1 . 1 25 25 ASP H H 1 7.143 0.05 . 1 . . . . . 25 ASP H . 28016 1 281 . 1 . 1 25 25 ASP HA H 1 5.531 0.05 . 1 . . . . . 25 ASP HA . 28016 1 282 . 1 . 1 25 25 ASP HB2 H 1 2.607 0.05 . 2 . . . . . 25 ASP HB2 . 28016 1 283 . 1 . 1 25 25 ASP HB3 H 1 2.889 0.05 . 2 . . . . . 25 ASP HB3 . 28016 1 284 . 1 . 1 25 25 ASP C C 13 176.973 0.10 . 1 . . . . . 25 ASP C . 28016 1 285 . 1 . 1 25 25 ASP CA C 13 52.707 0.015 . 1 . . . . . 25 ASP CA . 28016 1 286 . 1 . 1 25 25 ASP CB C 13 43.178 0.015 . 1 . . . . . 25 ASP CB . 28016 1 287 . 1 . 1 25 25 ASP N N 15 117.725 0.05 . 1 . . . . . 25 ASP N . 28016 1 288 . 1 . 1 26 26 ALA H H 1 6.519 0.05 . 1 . . . . . 26 ALA H . 28016 1 289 . 1 . 1 26 26 ALA HB1 H 1 1.238 0.05 . 1 . . . . . 26 ALA MB . 28016 1 290 . 1 . 1 26 26 ALA HB2 H 1 1.238 0.05 . 1 . . . . . 26 ALA MB . 28016 1 291 . 1 . 1 26 26 ALA HB3 H 1 1.238 0.05 . 1 . . . . . 26 ALA MB . 28016 1 292 . 1 . 1 26 26 ALA C C 13 178.335 0.10 . 1 . . . . . 26 ALA C . 28016 1 293 . 1 . 1 26 26 ALA CA C 13 56.352 0.015 . 1 . . . . . 26 ALA CA . 28016 1 294 . 1 . 1 26 26 ALA CB C 13 19.095 0.015 . 1 . . . . . 26 ALA CB . 28016 1 295 . 1 . 1 26 26 ALA N N 15 122.859 0.05 . 1 . . . . . 26 ALA N . 28016 1 296 . 1 . 1 27 27 ASP H H 1 8.143 0.05 . 1 . . . . . 27 ASP H . 28016 1 297 . 1 . 1 27 27 ASP HA H 1 4.030 0.05 . 1 . . . . . 27 ASP HA . 28016 1 298 . 1 . 1 27 27 ASP HB2 H 1 2.417 0.05 . 2 . . . . . 27 ASP HB2 . 28016 1 299 . 1 . 1 27 27 ASP HB3 H 1 2.535 0.05 . 2 . . . . . 27 ASP HB3 . 28016 1 300 . 1 . 1 27 27 ASP C C 13 176.324 0.10 . 1 . . . . . 27 ASP C . 28016 1 301 . 1 . 1 27 27 ASP CA C 13 56.951 0.015 . 1 . . . . . 27 ASP CA . 28016 1 302 . 1 . 1 27 27 ASP CB C 13 40.031 0.015 . 1 . . . . . 27 ASP CB . 28016 1 303 . 1 . 1 27 27 ASP N N 15 113.343 0.05 . 1 . . . . . 27 ASP N . 28016 1 304 . 1 . 1 28 28 ASN H H 1 7.132 0.05 . 1 . . . . . 28 ASN H . 28016 1 305 . 1 . 1 28 28 ASN HA H 1 4.689 0.05 . 1 . . . . . 28 ASN HA . 28016 1 306 . 1 . 1 28 28 ASN HB2 H 1 2.671 0.05 . 1 . . . . . 28 ASN HB2 . 28016 1 307 . 1 . 1 28 28 ASN HB3 H 1 2.671 0.05 . 1 . . . . . 28 ASN HB3 . 28016 1 308 . 1 . 1 28 28 ASN HD21 H 1 6.994 0.05 . 2 . . . . . 28 ASN HD21 . 28016 1 309 . 1 . 1 28 28 ASN HD22 H 1 8.461 0.05 . 2 . . . . . 28 ASN HD22 . 28016 1 310 . 1 . 1 28 28 ASN C C 13 176.648 0.10 . 1 . . . . . 28 ASN C . 28016 1 311 . 1 . 1 28 28 ASN CA C 13 53.684 0.015 . 1 . . . . . 28 ASN CA . 28016 1 312 . 1 . 1 28 28 ASN CB C 13 40.473 0.015 . 1 . . . . . 28 ASN CB . 28016 1 313 . 1 . 1 28 28 ASN CG C 13 176.448 0.10 . 1 . . . . . 28 ASN CG . 28016 1 314 . 1 . 1 28 28 ASN N N 15 111.620 0.05 . 1 . . . . . 28 ASN N . 28016 1 315 . 1 . 1 28 28 ASN ND2 N 15 116.813 0.001 . 1 . . . . . 28 ASN ND2 . 28016 1 316 . 1 . 1 29 29 LEU H H 1 8.429 0.05 . 1 . . . . . 29 LEU H . 28016 1 317 . 1 . 1 29 29 LEU HA H 1 4.034 0.05 . 1 . . . . . 29 LEU HA . 28016 1 318 . 1 . 1 29 29 LEU HB2 H 1 1.229 0.05 . 1 . . . . . 29 LEU HB2 . 28016 1 319 . 1 . 1 29 29 LEU HB3 H 1 1.229 0.05 . 1 . . . . . 29 LEU HB3 . 28016 1 320 . 1 . 1 29 29 LEU HG H 1 1.266 0.05 . 1 . . . . . 29 LEU HG . 28016 1 321 . 1 . 1 29 29 LEU HD11 H 1 0.501 0.05 . 1 . . . . . 29 LEU MD1 . 28016 1 322 . 1 . 1 29 29 LEU HD12 H 1 0.501 0.05 . 1 . . . . . 29 LEU MD1 . 28016 1 323 . 1 . 1 29 29 LEU HD13 H 1 0.501 0.05 . 1 . . . . . 29 LEU MD1 . 28016 1 324 . 1 . 1 29 29 LEU HD21 H 1 0.501 0.05 . 1 . . . . . 29 LEU MD2 . 28016 1 325 . 1 . 1 29 29 LEU HD22 H 1 0.501 0.05 . 1 . . . . . 29 LEU MD2 . 28016 1 326 . 1 . 1 29 29 LEU HD23 H 1 0.501 0.05 . 1 . . . . . 29 LEU MD2 . 28016 1 327 . 1 . 1 29 29 LEU C C 13 178.005 0.10 . 1 . . . . . 29 LEU C . 28016 1 328 . 1 . 1 29 29 LEU CA C 13 57.124 0.015 . 1 . . . . . 29 LEU CA . 28016 1 329 . 1 . 1 29 29 LEU CB C 13 43.002 0.015 . 1 . . . . . 29 LEU CB . 28016 1 330 . 1 . 1 29 29 LEU CG C 13 26.460 0.015 . 1 . . . . . 29 LEU CG . 28016 1 331 . 1 . 1 29 29 LEU CD1 C 13 22.291 0.015 . 2 . . . . . 29 LEU CD1 . 28016 1 332 . 1 . 1 29 29 LEU CD2 C 13 26.460 0.015 . 2 . . . . . 29 LEU CD2 . 28016 1 333 . 1 . 1 29 29 LEU N N 15 120.797 0.05 . 1 . . . . . 29 LEU N . 28016 1 334 . 1 . 1 30 30 ILE H H 1 8.297 0.05 . 1 . . . . . 30 ILE H . 28016 1 335 . 1 . 1 30 30 ILE HA H 1 3.482 0.05 . 1 . . . . . 30 ILE HA . 28016 1 336 . 1 . 1 30 30 ILE HD11 H 1 0.588 0.05 . 1 . . . . . 30 ILE MD . 28016 1 337 . 1 . 1 30 30 ILE HD12 H 1 0.588 0.05 . 1 . . . . . 30 ILE MD . 28016 1 338 . 1 . 1 30 30 ILE HD13 H 1 0.588 0.05 . 1 . . . . . 30 ILE MD . 28016 1 339 . 1 . 1 30 30 ILE C C 13 174.904 0.10 . 1 . . . . . 30 ILE C . 28016 1 340 . 1 . 1 30 30 ILE CA C 13 66.520 0.015 . 1 . . . . . 30 ILE CA . 28016 1 341 . 1 . 1 30 30 ILE CB C 13 33.392 0.015 . 1 . . . . . 30 ILE CB . 28016 1 342 . 1 . 1 30 30 ILE CD1 C 13 11.869 0.015 . 1 . . . . . 30 ILE CD1 . 28016 1 343 . 1 . 1 30 30 ILE N N 15 117.777 0.05 . 1 . . . . . 30 ILE N . 28016 1 344 . 1 . 1 31 31 PRO HA H 1 4.334 0.05 . 1 . . . . . 31 PRO HA . 28016 1 345 . 1 . 1 31 31 PRO HB2 H 1 2.372 0.05 . 1 . . . . . 31 PRO HB2 . 28016 1 346 . 1 . 1 31 31 PRO HB3 H 1 2.372 0.05 . 1 . . . . . 31 PRO HB3 . 28016 1 347 . 1 . 1 31 31 PRO HG2 H 1 1.520 0.05 . 1 . . . . . 31 PRO HG2 . 28016 1 348 . 1 . 1 31 31 PRO HG3 H 1 1.520 0.05 . 1 . . . . . 31 PRO HG3 . 28016 1 349 . 1 . 1 31 31 PRO C C 13 177.444 0.10 . 1 . . . . . 31 PRO C . 28016 1 350 . 1 . 1 31 31 PRO CA C 13 65.617 0.015 . 1 . . . . . 31 PRO CA . 28016 1 351 . 1 . 1 31 31 PRO CB C 13 31.824 0.015 . 1 . . . . . 31 PRO CB . 28016 1 352 . 1 . 1 31 31 PRO CG C 13 28.530 0.015 . 1 . . . . . 31 PRO CG . 28016 1 353 . 1 . 1 31 31 PRO CD C 13 50.516 0.015 . 1 . . . . . 31 PRO CD . 28016 1 354 . 1 . 1 32 32 LYS H H 1 6.758 0.05 . 1 . . . . . 32 LYS H . 28016 1 355 . 1 . 1 32 32 LYS HA H 1 4.133 0.05 . 1 . . . . . 32 LYS HA . 28016 1 356 . 1 . 1 32 32 LYS HB2 H 1 1.772 0.05 . 1 . . . . . 32 LYS HB2 . 28016 1 357 . 1 . 1 32 32 LYS HB3 H 1 1.772 0.05 . 1 . . . . . 32 LYS HB3 . 28016 1 358 . 1 . 1 32 32 LYS HG2 H 1 1.288 0.05 . 2 . . . . . 32 LYS HG2 . 28016 1 359 . 1 . 1 32 32 LYS HG3 H 1 1.466 0.05 . 2 . . . . . 32 LYS HG3 . 28016 1 360 . 1 . 1 32 32 LYS HD2 H 1 1.572 0.05 . 1 . . . . . 32 LYS HD2 . 28016 1 361 . 1 . 1 32 32 LYS HD3 H 1 1.572 0.05 . 1 . . . . . 32 LYS HD3 . 28016 1 362 . 1 . 1 32 32 LYS HE2 H 1 2.901 0.05 . 1 . . . . . 32 LYS HE2 . 28016 1 363 . 1 . 1 32 32 LYS HE3 H 1 2.901 0.05 . 1 . . . . . 32 LYS HE3 . 28016 1 364 . 1 . 1 32 32 LYS C C 13 178.115 0.10 . 1 . . . . . 32 LYS C . 28016 1 365 . 1 . 1 32 32 LYS CA C 13 57.791 0.015 . 1 . . . . . 32 LYS CA . 28016 1 366 . 1 . 1 32 32 LYS CB C 13 33.245 0.015 . 1 . . . . . 32 LYS CB . 28016 1 367 . 1 . 1 32 32 LYS CG C 13 24.911 0.015 . 1 . . . . . 32 LYS CG . 28016 1 368 . 1 . 1 32 32 LYS CD C 13 29.335 0.015 . 1 . . . . . 32 LYS CD . 28016 1 369 . 1 . 1 32 32 LYS CE C 13 42.095 0.015 . 1 . . . . . 32 LYS CE . 28016 1 370 . 1 . 1 32 32 LYS N N 15 111.839 0.05 . 1 . . . . . 32 LYS N . 28016 1 371 . 1 . 1 33 33 VAL H H 1 7.614 0.05 . 1 . . . . . 33 VAL H . 28016 1 372 . 1 . 1 33 33 VAL HA H 1 4.197 0.05 . 1 . . . . . 33 VAL HA . 28016 1 373 . 1 . 1 33 33 VAL HB H 1 1.989 0.05 . 1 . . . . . 33 VAL HB . 28016 1 374 . 1 . 1 33 33 VAL HG11 H 1 0.668 0.05 . 2 . . . . . 33 VAL MG1 . 28016 1 375 . 1 . 1 33 33 VAL HG12 H 1 0.668 0.05 . 2 . . . . . 33 VAL MG1 . 28016 1 376 . 1 . 1 33 33 VAL HG13 H 1 0.668 0.05 . 2 . . . . . 33 VAL MG1 . 28016 1 377 . 1 . 1 33 33 VAL HG21 H 1 0.595 0.05 . 2 . . . . . 33 VAL MG2 . 28016 1 378 . 1 . 1 33 33 VAL HG22 H 1 0.595 0.05 . 2 . . . . . 33 VAL MG2 . 28016 1 379 . 1 . 1 33 33 VAL HG23 H 1 0.595 0.05 . 2 . . . . . 33 VAL MG2 . 28016 1 380 . 1 . 1 33 33 VAL C C 13 175.822 0.10 . 1 . . . . . 33 VAL C . 28016 1 381 . 1 . 1 33 33 VAL CA C 13 61.830 0.015 . 1 . . . . . 33 VAL CA . 28016 1 382 . 1 . 1 33 33 VAL CB C 13 33.103 0.015 . 1 . . . . . 33 VAL CB . 28016 1 383 . 1 . 1 33 33 VAL CG1 C 13 21.938 0.015 . 2 . . . . . 33 VAL CG1 . 28016 1 384 . 1 . 1 33 33 VAL CG2 C 13 20.215 0.015 . 2 . . . . . 33 VAL CG2 . 28016 1 385 . 1 . 1 33 33 VAL N N 15 112.655 0.05 . 1 . . . . . 33 VAL N . 28016 1 386 . 1 . 1 35 35 PRO HA H 1 4.588 0.05 . 1 . . . . . 35 PRO HA . 28016 1 387 . 1 . 1 35 35 PRO HB2 H 1 2.469 0.05 . 2 . . . . . 35 PRO HB2 . 28016 1 388 . 1 . 1 35 35 PRO HB3 H 1 2.014 0.05 . 2 . . . . . 35 PRO HB3 . 28016 1 389 . 1 . 1 35 35 PRO HG2 H 1 1.935 0.05 . 1 . . . . . 35 PRO HG2 . 28016 1 390 . 1 . 1 35 35 PRO HG3 H 1 1.935 0.05 . 1 . . . . . 35 PRO HG3 . 28016 1 391 . 1 . 1 35 35 PRO HD2 H 1 3.779 0.05 . 1 . . . . . 35 PRO HD2 . 28016 1 392 . 1 . 1 35 35 PRO HD3 H 1 3.779 0.05 . 1 . . . . . 35 PRO HD3 . 28016 1 393 . 1 . 1 35 35 PRO C C 13 177.441 0.10 . 1 . . . . . 35 PRO C . 28016 1 394 . 1 . 1 35 35 PRO CA C 13 64.148 0.015 . 1 . . . . . 35 PRO CA . 28016 1 395 . 1 . 1 35 35 PRO CB C 13 31.048 0.015 . 1 . . . . . 35 PRO CB . 28016 1 396 . 1 . 1 35 35 PRO CG C 13 27.140 0.015 . 1 . . . . . 35 PRO CG . 28016 1 397 . 1 . 1 36 36 GLN H H 1 8.992 0.05 . 1 . . . . . 36 GLN H . 28016 1 398 . 1 . 1 36 36 GLN HA H 1 4.196 0.05 . 1 . . . . . 36 GLN HA . 28016 1 399 . 1 . 1 36 36 GLN HB2 H 1 1.837 0.05 . 1 . . . . . 36 GLN HB2 . 28016 1 400 . 1 . 1 36 36 GLN HB3 H 1 1.837 0.05 . 1 . . . . . 36 GLN HB3 . 28016 1 401 . 1 . 1 36 36 GLN HE21 H 1 7.495 0.05 . 2 . . . . . 36 GLN HE21 . 28016 1 402 . 1 . 1 36 36 GLN HE22 H 1 7.093 0.05 . 2 . . . . . 36 GLN HE22 . 28016 1 403 . 1 . 1 36 36 GLN C C 13 176.092 0.10 . 1 . . . . . 36 GLN C . 28016 1 404 . 1 . 1 36 36 GLN CA C 13 56.963 0.015 . 1 . . . . . 36 GLN CA . 28016 1 405 . 1 . 1 36 36 GLN CB C 13 27.161 0.015 . 1 . . . . . 36 GLN CB . 28016 1 406 . 1 . 1 36 36 GLN CD C 13 181.223 0.10 . 1 . . . . . 36 GLN CD . 28016 1 407 . 1 . 1 36 36 GLN N N 15 117.929 0.05 . 1 . . . . . 36 GLN N . 28016 1 408 . 1 . 1 36 36 GLN NE2 N 15 111.740 0.010 . 1 . . . . . 36 GLN NE2 . 28016 1 409 . 1 . 1 39 39 THR HG21 H 1 1.274 0.05 . 1 . . . . . 39 THR MG . 28016 1 410 . 1 . 1 39 39 THR HG22 H 1 1.274 0.05 . 1 . . . . . 39 THR MG . 28016 1 411 . 1 . 1 39 39 THR HG23 H 1 1.274 0.05 . 1 . . . . . 39 THR MG . 28016 1 412 . 1 . 1 39 39 THR CG2 C 13 22.870 0.015 . 1 . . . . . 39 THR CG2 . 28016 1 413 . 1 . 1 40 40 SER H H 1 7.775 0.05 . 1 . . . . . 40 SER H . 28016 1 414 . 1 . 1 40 40 SER HA H 1 4.685 0.05 . 1 . . . . . 40 SER HA . 28016 1 415 . 1 . 1 40 40 SER HB2 H 1 3.829 0.05 . 1 . . . . . 40 SER HB2 . 28016 1 416 . 1 . 1 40 40 SER HB3 H 1 3.829 0.05 . 1 . . . . . 40 SER HB3 . 28016 1 417 . 1 . 1 40 40 SER C C 13 171.220 0.10 . 1 . . . . . 40 SER C . 28016 1 418 . 1 . 1 40 40 SER CA C 13 58.128 0.015 . 1 . . . . . 40 SER CA . 28016 1 419 . 1 . 1 40 40 SER CB C 13 65.077 0.015 . 1 . . . . . 40 SER CB . 28016 1 420 . 1 . 1 40 40 SER N N 15 112.752 0.05 . 1 . . . . . 40 SER N . 28016 1 421 . 1 . 1 41 41 ALA H H 1 8.668 0.05 . 1 . . . . . 41 ALA H . 28016 1 422 . 1 . 1 41 41 ALA HA H 1 5.147 0.05 . 1 . . . . . 41 ALA HA . 28016 1 423 . 1 . 1 41 41 ALA HB1 H 1 1.006 0.05 . 1 . . . . . 41 ALA MB . 28016 1 424 . 1 . 1 41 41 ALA HB2 H 1 1.006 0.05 . 1 . . . . . 41 ALA MB . 28016 1 425 . 1 . 1 41 41 ALA HB3 H 1 1.006 0.05 . 1 . . . . . 41 ALA MB . 28016 1 426 . 1 . 1 41 41 ALA C C 13 175.430 0.10 . 1 . . . . . 41 ALA C . 28016 1 427 . 1 . 1 41 41 ALA CA C 13 51.068 0.015 . 1 . . . . . 41 ALA CA . 28016 1 428 . 1 . 1 41 41 ALA CB C 13 23.050 0.015 . 1 . . . . . 41 ALA CB . 28016 1 429 . 1 . 1 41 41 ALA N N 15 124.270 0.05 . 1 . . . . . 41 ALA N . 28016 1 430 . 1 . 1 42 42 GLU H H 1 8.373 0.05 . 1 . . . . . 42 GLU H . 28016 1 431 . 1 . 1 42 42 GLU HA H 1 4.593 0.05 . 1 . . . . . 42 GLU HA . 28016 1 432 . 1 . 1 42 42 GLU HB2 H 1 1.964 0.05 . 1 . . . . . 42 GLU HB2 . 28016 1 433 . 1 . 1 42 42 GLU HB3 H 1 1.964 0.05 . 1 . . . . . 42 GLU HB3 . 28016 1 434 . 1 . 1 42 42 GLU HG2 H 1 2.039 0.05 . 1 . . . . . 42 GLU HG2 . 28016 1 435 . 1 . 1 42 42 GLU HG3 H 1 2.039 0.05 . 1 . . . . . 42 GLU HG3 . 28016 1 436 . 1 . 1 42 42 GLU C C 13 174.751 0.10 . 1 . . . . . 42 GLU C . 28016 1 437 . 1 . 1 42 42 GLU CA C 13 54.067 0.015 . 1 . . . . . 42 GLU CA . 28016 1 438 . 1 . 1 42 42 GLU CB C 13 34.005 0.015 . 1 . . . . . 42 GLU CB . 28016 1 439 . 1 . 1 42 42 GLU CG C 13 35.951 0.015 . 1 . . . . . 42 GLU CG . 28016 1 440 . 1 . 1 42 42 GLU N N 15 119.394 0.05 . 1 . . . . . 42 GLU N . 28016 1 441 . 1 . 1 43 43 ASN H H 1 9.124 0.05 . 1 . . . . . 43 ASN H . 28016 1 442 . 1 . 1 43 43 ASN HA H 1 4.891 0.05 . 1 . . . . . 43 ASN HA . 28016 1 443 . 1 . 1 43 43 ASN HB2 H 1 2.399 0.05 . 2 . . . . . 43 ASN HB2 . 28016 1 444 . 1 . 1 43 43 ASN HB3 H 1 2.800 0.05 . 2 . . . . . 43 ASN HB3 . 28016 1 445 . 1 . 1 43 43 ASN HD21 H 1 7.372 0.05 . 2 . . . . . 43 ASN HD21 . 28016 1 446 . 1 . 1 43 43 ASN HD22 H 1 6.795 0.05 . 2 . . . . . 43 ASN HD22 . 28016 1 447 . 1 . 1 43 43 ASN C C 13 175.099 0.10 . 1 . . . . . 43 ASN C . 28016 1 448 . 1 . 1 43 43 ASN CA C 13 53.439 0.015 . 1 . . . . . 43 ASN CA . 28016 1 449 . 1 . 1 43 43 ASN CB C 13 37.390 0.015 . 1 . . . . . 43 ASN CB . 28016 1 450 . 1 . 1 43 43 ASN CG C 13 174.971 0.10 . 1 . . . . . 43 ASN CG . 28016 1 451 . 1 . 1 43 43 ASN N N 15 123.636 0.05 . 1 . . . . . 43 ASN N . 28016 1 452 . 1 . 1 43 43 ASN ND2 N 15 110.314 0.005 . 1 . . . . . 43 ASN ND2 . 28016 1 453 . 1 . 1 44 44 LEU H H 1 9.287 0.05 . 1 . . . . . 44 LEU H . 28016 1 454 . 1 . 1 44 44 LEU HA H 1 4.325 0.05 . 1 . . . . . 44 LEU HA . 28016 1 455 . 1 . 1 44 44 LEU HB2 H 1 1.670 0.05 . 1 . . . . . 44 LEU HB2 . 28016 1 456 . 1 . 1 44 44 LEU HB3 H 1 1.670 0.05 . 1 . . . . . 44 LEU HB3 . 28016 1 457 . 1 . 1 44 44 LEU HG H 1 1.612 0.05 . 1 . . . . . 44 LEU HG . 28016 1 458 . 1 . 1 44 44 LEU HD11 H 1 0.829 0.05 . 1 . . . . . 44 LEU MD1 . 28016 1 459 . 1 . 1 44 44 LEU HD12 H 1 0.829 0.05 . 1 . . . . . 44 LEU MD1 . 28016 1 460 . 1 . 1 44 44 LEU HD13 H 1 0.829 0.05 . 1 . . . . . 44 LEU MD1 . 28016 1 461 . 1 . 1 44 44 LEU HD21 H 1 0.829 0.05 . 1 . . . . . 44 LEU MD2 . 28016 1 462 . 1 . 1 44 44 LEU HD22 H 1 0.829 0.05 . 1 . . . . . 44 LEU MD2 . 28016 1 463 . 1 . 1 44 44 LEU HD23 H 1 0.829 0.05 . 1 . . . . . 44 LEU MD2 . 28016 1 464 . 1 . 1 44 44 LEU C C 13 177.493 0.10 . 1 . . . . . 44 LEU C . 28016 1 465 . 1 . 1 44 44 LEU CA C 13 56.188 0.015 . 1 . . . . . 44 LEU CA . 28016 1 466 . 1 . 1 44 44 LEU CB C 13 42.696 0.015 . 1 . . . . . 44 LEU CB . 28016 1 467 . 1 . 1 44 44 LEU CG C 13 27.333 0.015 . 1 . . . . . 44 LEU CG . 28016 1 468 . 1 . 1 44 44 LEU CD1 C 13 22.465 0.015 . 2 . . . . . 44 LEU CD1 . 28016 1 469 . 1 . 1 44 44 LEU CD2 C 13 25.502 0.015 . 2 . . . . . 44 LEU CD2 . 28016 1 470 . 1 . 1 44 44 LEU N N 15 127.292 0.05 . 1 . . . . . 44 LEU N . 28016 1 471 . 1 . 1 45 45 GLU H H 1 7.699 0.05 . 1 . . . . . 45 GLU H . 28016 1 472 . 1 . 1 45 45 GLU HA H 1 4.526 0.05 . 1 . . . . . 45 GLU HA . 28016 1 473 . 1 . 1 45 45 GLU HB2 H 1 2.090 0.05 . 1 . . . . . 45 GLU HB2 . 28016 1 474 . 1 . 1 45 45 GLU HB3 H 1 2.090 0.05 . 1 . . . . . 45 GLU HB3 . 28016 1 475 . 1 . 1 45 45 GLU HG2 H 1 2.214 0.05 . 1 . . . . . 45 GLU HG2 . 28016 1 476 . 1 . 1 45 45 GLU HG3 H 1 2.214 0.05 . 1 . . . . . 45 GLU HG3 . 28016 1 477 . 1 . 1 45 45 GLU C C 13 175.578 0.10 . 1 . . . . . 45 GLU C . 28016 1 478 . 1 . 1 45 45 GLU CA C 13 55.776 0.015 . 1 . . . . . 45 GLU CA . 28016 1 479 . 1 . 1 45 45 GLU CB C 13 33.125 0.015 . 1 . . . . . 45 GLU CB . 28016 1 480 . 1 . 1 45 45 GLU CG C 13 36.081 0.015 . 1 . . . . . 45 GLU CG . 28016 1 481 . 1 . 1 45 45 GLU N N 15 116.060 0.05 . 1 . . . . . 45 GLU N . 28016 1 482 . 1 . 1 46 46 GLY H H 1 8.494 0.05 . 1 . . . . . 46 GLY H . 28016 1 483 . 1 . 1 46 46 GLY HA2 H 1 3.771 0.05 . 2 . . . . . 46 GLY HA2 . 28016 1 484 . 1 . 1 46 46 GLY HA3 H 1 4.582 0.05 . 2 . . . . . 46 GLY HA3 . 28016 1 485 . 1 . 1 46 46 GLY C C 13 173.523 0.10 . 1 . . . . . 46 GLY C . 28016 1 486 . 1 . 1 46 46 GLY CA C 13 44.774 0.015 . 1 . . . . . 46 GLY CA . 28016 1 487 . 1 . 1 46 46 GLY N N 15 109.785 0.05 . 1 . . . . . 46 GLY N . 28016 1 488 . 1 . 1 47 47 ASN H H 1 8.305 0.05 . 1 . . . . . 47 ASN H . 28016 1 489 . 1 . 1 47 47 ASN HA H 1 4.975 0.05 . 1 . . . . . 47 ASN HA . 28016 1 490 . 1 . 1 47 47 ASN HB2 H 1 2.806 0.05 . 2 . . . . . 47 ASN HB2 . 28016 1 491 . 1 . 1 47 47 ASN HB3 H 1 3.017 0.05 . 2 . . . . . 47 ASN HB3 . 28016 1 492 . 1 . 1 47 47 ASN HD21 H 1 7.582 0.05 . 2 . . . . . 47 ASN HD21 . 28016 1 493 . 1 . 1 47 47 ASN HD22 H 1 6.821 0.05 . 2 . . . . . 47 ASN HD22 . 28016 1 494 . 1 . 1 47 47 ASN C C 13 176.012 0.10 . 1 . . . . . 47 ASN C . 28016 1 495 . 1 . 1 47 47 ASN CA C 13 52.300 0.015 . 1 . . . . . 47 ASN CA . 28016 1 496 . 1 . 1 47 47 ASN CB C 13 39.530 0.015 . 1 . . . . . 47 ASN CB . 28016 1 497 . 1 . 1 47 47 ASN CG C 13 177.756 0.10 . 1 . . . . . 47 ASN CG . 28016 1 498 . 1 . 1 47 47 ASN N N 15 114.262 0.05 . 1 . . . . . 47 ASN N . 28016 1 499 . 1 . 1 47 47 ASN ND2 N 15 111.408 0.001 . 1 . . . . . 47 ASN ND2 . 28016 1 500 . 1 . 1 48 48 GLY H H 1 8.800 0.05 . 1 . . . . . 48 GLY H . 28016 1 501 . 1 . 1 48 48 GLY HA2 H 1 3.442 0.05 . 1 . . . . . 48 GLY HA2 . 28016 1 502 . 1 . 1 48 48 GLY HA3 H 1 3.442 0.05 . 1 . . . . . 48 GLY HA3 . 28016 1 503 . 1 . 1 48 48 GLY C C 13 174.726 0.10 . 1 . . . . . 48 GLY C . 28016 1 504 . 1 . 1 48 48 GLY CA C 13 45.226 0.015 . 1 . . . . . 48 GLY CA . 28016 1 505 . 1 . 1 48 48 GLY N N 15 110.139 0.05 . 1 . . . . . 48 GLY N . 28016 1 506 . 1 . 1 49 49 GLY H H 1 8.087 0.05 . 1 . . . . . 49 GLY H . 28016 1 507 . 1 . 1 49 49 GLY HA2 H 1 4.069 0.05 . 1 . . . . . 49 GLY HA2 . 28016 1 508 . 1 . 1 49 49 GLY HA3 H 1 4.069 0.05 . 1 . . . . . 49 GLY HA3 . 28016 1 509 . 1 . 1 49 49 GLY C C 13 172.214 0.10 . 1 . . . . . 49 GLY C . 28016 1 510 . 1 . 1 49 49 GLY CA C 13 44.228 0.015 . 1 . . . . . 49 GLY CA . 28016 1 511 . 1 . 1 49 49 GLY N N 15 105.955 0.05 . 1 . . . . . 49 GLY N . 28016 1 512 . 1 . 1 50 50 PRO HB2 H 1 2.266 0.05 . 2 . . . . . 50 PRO HB2 . 28016 1 513 . 1 . 1 50 50 PRO HB3 H 1 2.004 0.05 . 2 . . . . . 50 PRO HB3 . 28016 1 514 . 1 . 1 50 50 PRO HG2 H 1 2.004 0.05 . 1 . . . . . 50 PRO HG2 . 28016 1 515 . 1 . 1 50 50 PRO HG3 H 1 2.004 0.05 . 1 . . . . . 50 PRO HG3 . 28016 1 516 . 1 . 1 50 50 PRO HD2 H 1 3.785 0.05 . 1 . . . . . 50 PRO HD2 . 28016 1 517 . 1 . 1 50 50 PRO HD3 H 1 3.785 0.05 . 1 . . . . . 50 PRO HD3 . 28016 1 518 . 1 . 1 50 50 PRO C C 13 176.412 0.10 . 1 . . . . . 50 PRO C . 28016 1 519 . 1 . 1 50 50 PRO CA C 13 64.651 0.015 . 1 . . . . . 50 PRO CA . 28016 1 520 . 1 . 1 50 50 PRO CB C 13 31.301 0.015 . 1 . . . . . 50 PRO CB . 28016 1 521 . 1 . 1 50 50 PRO CG C 13 29.004 0.015 . 1 . . . . . 50 PRO CG . 28016 1 522 . 1 . 1 50 50 PRO CD C 13 49.927 0.015 . 1 . . . . . 50 PRO CD . 28016 1 523 . 1 . 1 51 51 GLY H H 1 9.168 0.05 . 1 . . . . . 51 GLY H . 28016 1 524 . 1 . 1 51 51 GLY HA2 H 1 3.493 0.05 . 2 . . . . . 51 GLY HA2 . 28016 1 525 . 1 . 1 51 51 GLY HA3 H 1 4.543 0.05 . 2 . . . . . 51 GLY HA3 . 28016 1 526 . 1 . 1 51 51 GLY C C 13 174.216 0.10 . 1 . . . . . 51 GLY C . 28016 1 527 . 1 . 1 51 51 GLY CA C 13 44.881 0.015 . 1 . . . . . 51 GLY CA . 28016 1 528 . 1 . 1 51 51 GLY N N 15 114.612 0.05 . 1 . . . . . 51 GLY N . 28016 1 529 . 1 . 1 52 52 THR H H 1 8.016 0.05 . 1 . . . . . 52 THR H . 28016 1 530 . 1 . 1 52 52 THR HA H 1 4.611 0.05 . 1 . . . . . 52 THR HA . 28016 1 531 . 1 . 1 52 52 THR HB H 1 3.900 0.05 . 1 . . . . . 52 THR HB . 28016 1 532 . 1 . 1 52 52 THR HG21 H 1 1.148 0.05 . 1 . . . . . 52 THR MG . 28016 1 533 . 1 . 1 52 52 THR HG22 H 1 1.148 0.05 . 1 . . . . . 52 THR MG . 28016 1 534 . 1 . 1 52 52 THR HG23 H 1 1.148 0.05 . 1 . . . . . 52 THR MG . 28016 1 535 . 1 . 1 52 52 THR C C 13 173.416 0.10 . 1 . . . . . 52 THR C . 28016 1 536 . 1 . 1 52 52 THR CA C 13 64.216 0.015 . 1 . . . . . 52 THR CA . 28016 1 537 . 1 . 1 52 52 THR CB C 13 69.727 0.015 . 1 . . . . . 52 THR CB . 28016 1 538 . 1 . 1 52 52 THR CG2 C 13 20.117 0.015 . 1 . . . . . 52 THR CG2 . 28016 1 539 . 1 . 1 52 52 THR N N 15 119.068 0.05 . 1 . . . . . 52 THR N . 28016 1 540 . 1 . 1 53 53 ILE H H 1 8.405 0.05 . 1 . . . . . 53 ILE H . 28016 1 541 . 1 . 1 53 53 ILE HA H 1 5.126 0.05 . 1 . . . . . 53 ILE HA . 28016 1 542 . 1 . 1 53 53 ILE HB H 1 1.899 0.05 . 1 . . . . . 53 ILE HB . 28016 1 543 . 1 . 1 53 53 ILE HG12 H 1 1.140 0.05 . 1 . . . . . 53 ILE HG12 . 28016 1 544 . 1 . 1 53 53 ILE HG13 H 1 1.140 0.05 . 1 . . . . . 53 ILE HG13 . 28016 1 545 . 1 . 1 53 53 ILE HG21 H 1 0.929 0.05 . 1 . . . . . 53 ILE MG . 28016 1 546 . 1 . 1 53 53 ILE HG22 H 1 0.929 0.05 . 1 . . . . . 53 ILE MG . 28016 1 547 . 1 . 1 53 53 ILE HG23 H 1 0.929 0.05 . 1 . . . . . 53 ILE MG . 28016 1 548 . 1 . 1 53 53 ILE HD11 H 1 0.777 0.007 . 1 . . . . . 53 ILE MD . 28016 1 549 . 1 . 1 53 53 ILE HD12 H 1 0.777 0.007 . 1 . . . . . 53 ILE MD . 28016 1 550 . 1 . 1 53 53 ILE HD13 H 1 0.777 0.007 . 1 . . . . . 53 ILE MD . 28016 1 551 . 1 . 1 53 53 ILE C C 13 175.026 0.10 . 1 . . . . . 53 ILE C . 28016 1 552 . 1 . 1 53 53 ILE CA C 13 58.973 0.015 . 1 . . . . . 53 ILE CA . 28016 1 553 . 1 . 1 53 53 ILE CB C 13 38.977 0.015 . 1 . . . . . 53 ILE CB . 28016 1 554 . 1 . 1 53 53 ILE CG1 C 13 27.044 0.015 . 1 . . . . . 53 ILE CG1 . 28016 1 555 . 1 . 1 53 53 ILE CG2 C 13 17.632 0.015 . 1 . . . . . 53 ILE CG2 . 28016 1 556 . 1 . 1 53 53 ILE CD1 C 13 10.824 0.097 . 1 . . . . . 53 ILE CD1 . 28016 1 557 . 1 . 1 53 53 ILE N N 15 125.876 0.05 . 1 . . . . . 53 ILE N . 28016 1 558 . 1 . 1 54 54 LYS H H 1 9.510 0.05 . 1 . . . . . 54 LYS H . 28016 1 559 . 1 . 1 54 54 LYS HA H 1 5.304 0.05 . 1 . . . . . 54 LYS HA . 28016 1 560 . 1 . 1 54 54 LYS HB2 H 1 1.459 0.05 . 1 . . . . . 54 LYS HB2 . 28016 1 561 . 1 . 1 54 54 LYS HB3 H 1 1.459 0.05 . 1 . . . . . 54 LYS HB3 . 28016 1 562 . 1 . 1 54 54 LYS HD2 H 1 1.486 0.05 . 1 . . . . . 54 LYS HD2 . 28016 1 563 . 1 . 1 54 54 LYS HD3 H 1 1.486 0.05 . 1 . . . . . 54 LYS HD3 . 28016 1 564 . 1 . 1 54 54 LYS C C 13 175.111 0.10 . 1 . . . . . 54 LYS C . 28016 1 565 . 1 . 1 54 54 LYS CA C 13 53.842 0.015 . 1 . . . . . 54 LYS CA . 28016 1 566 . 1 . 1 54 54 LYS CB C 13 36.343 0.015 . 1 . . . . . 54 LYS CB . 28016 1 567 . 1 . 1 54 54 LYS CG C 13 24.681 0.015 . 1 . . . . . 54 LYS CG . 28016 1 568 . 1 . 1 54 54 LYS CD C 13 29.888 0.015 . 1 . . . . . 54 LYS CD . 28016 1 569 . 1 . 1 54 54 LYS CE C 13 41.033 0.015 . 1 . . . . . 54 LYS CE . 28016 1 570 . 1 . 1 54 54 LYS N N 15 127.337 0.05 . 1 . . . . . 54 LYS N . 28016 1 571 . 1 . 1 55 55 LYS H H 1 9.350 0.05 . 1 . . . . . 55 LYS H . 28016 1 572 . 1 . 1 55 55 LYS HA H 1 4.920 0.05 . 1 . . . . . 55 LYS HA . 28016 1 573 . 1 . 1 55 55 LYS HB2 H 1 1.779 0.05 . 1 . . . . . 55 LYS HB2 . 28016 1 574 . 1 . 1 55 55 LYS HB3 H 1 1.779 0.05 . 1 . . . . . 55 LYS HB3 . 28016 1 575 . 1 . 1 55 55 LYS HD2 H 1 1.387 0.05 . 1 . . . . . 55 LYS HD2 . 28016 1 576 . 1 . 1 55 55 LYS HD3 H 1 1.387 0.05 . 1 . . . . . 55 LYS HD3 . 28016 1 577 . 1 . 1 55 55 LYS C C 13 175.088 0.10 . 1 . . . . . 55 LYS C . 28016 1 578 . 1 . 1 55 55 LYS CA C 13 54.777 0.015 . 1 . . . . . 55 LYS CA . 28016 1 579 . 1 . 1 55 55 LYS CB C 13 35.788 0.015 . 1 . . . . . 55 LYS CB . 28016 1 580 . 1 . 1 55 55 LYS CG C 13 26.164 0.015 . 1 . . . . . 55 LYS CG . 28016 1 581 . 1 . 1 55 55 LYS CD C 13 29.855 0.015 . 1 . . . . . 55 LYS CD . 28016 1 582 . 1 . 1 55 55 LYS CE C 13 41.503 0.015 . 1 . . . . . 55 LYS CE . 28016 1 583 . 1 . 1 55 55 LYS N N 15 124.053 0.05 . 1 . . . . . 55 LYS N . 28016 1 584 . 1 . 1 56 56 ILE H H 1 9.353 0.05 . 1 . . . . . 56 ILE H . 28016 1 585 . 1 . 1 56 56 ILE HA H 1 4.611 0.05 . 1 . . . . . 56 ILE HA . 28016 1 586 . 1 . 1 56 56 ILE HB H 1 1.368 0.05 . 1 . . . . . 56 ILE HB . 28016 1 587 . 1 . 1 56 56 ILE HG21 H 1 0.280 0.05 . 1 . . . . . 56 ILE MG . 28016 1 588 . 1 . 1 56 56 ILE HG22 H 1 0.280 0.05 . 1 . . . . . 56 ILE MG . 28016 1 589 . 1 . 1 56 56 ILE HG23 H 1 0.280 0.05 . 1 . . . . . 56 ILE MG . 28016 1 590 . 1 . 1 56 56 ILE HD11 H 1 -0.081 0.05 . 1 . . . . . 56 ILE MD . 28016 1 591 . 1 . 1 56 56 ILE HD12 H 1 -0.081 0.05 . 1 . . . . . 56 ILE MD . 28016 1 592 . 1 . 1 56 56 ILE HD13 H 1 -0.081 0.05 . 1 . . . . . 56 ILE MD . 28016 1 593 . 1 . 1 56 56 ILE C C 13 175.441 0.10 . 1 . . . . . 56 ILE C . 28016 1 594 . 1 . 1 56 56 ILE CA C 13 59.469 0.015 . 1 . . . . . 56 ILE CA . 28016 1 595 . 1 . 1 56 56 ILE CB C 13 38.116 0.015 . 1 . . . . . 56 ILE CB . 28016 1 596 . 1 . 1 56 56 ILE CG2 C 13 17.451 0.015 . 1 . . . . . 56 ILE CG2 . 28016 1 597 . 1 . 1 56 56 ILE CD1 C 13 11.940 0.056 . 1 . . . . . 56 ILE CD1 . 28016 1 598 . 1 . 1 56 56 ILE N N 15 132.560 0.05 . 1 . . . . . 56 ILE N . 28016 1 599 . 1 . 1 57 57 THR H H 1 8.743 0.05 . 1 . . . . . 57 THR H . 28016 1 600 . 1 . 1 57 57 THR HA H 1 5.065 0.05 . 1 . . . . . 57 THR HA . 28016 1 601 . 1 . 1 57 57 THR HB H 1 4.082 0.05 . 1 . . . . . 57 THR HB . 28016 1 602 . 1 . 1 57 57 THR HG21 H 1 1.167 0.05 . 1 . . . . . 57 THR MG . 28016 1 603 . 1 . 1 57 57 THR HG22 H 1 1.167 0.05 . 1 . . . . . 57 THR MG . 28016 1 604 . 1 . 1 57 57 THR HG23 H 1 1.167 0.05 . 1 . . . . . 57 THR MG . 28016 1 605 . 1 . 1 57 57 THR C C 13 173.410 0.10 . 1 . . . . . 57 THR C . 28016 1 606 . 1 . 1 57 57 THR CA C 13 62.207 0.015 . 1 . . . . . 57 THR CA . 28016 1 607 . 1 . 1 57 57 THR CB C 13 70.197 0.015 . 1 . . . . . 57 THR CB . 28016 1 608 . 1 . 1 57 57 THR CG2 C 13 21.540 0.015 . 1 . . . . . 57 THR CG2 . 28016 1 609 . 1 . 1 57 57 THR N N 15 123.866 0.05 . 1 . . . . . 57 THR N . 28016 1 610 . 1 . 1 62 62 ASN HD21 H 1 6.877 0.05 . 2 . . . . . 62 ASN HD21 . 28016 1 611 . 1 . 1 62 62 ASN HD22 H 1 7.565 0.05 . 2 . . . . . 62 ASN HD22 . 28016 1 612 . 1 . 1 62 62 ASN CG C 13 177.154 0.10 . 1 . . . . . 62 ASN CG . 28016 1 613 . 1 . 1 62 62 ASN ND2 N 15 113.002 0.004 . 1 . . . . . 62 ASN ND2 . 28016 1 614 . 1 . 1 64 64 PHE H H 1 7.912 0.05 . 1 . . . . . 64 PHE H . 28016 1 615 . 1 . 1 64 64 PHE HA H 1 5.942 0.05 . 1 . . . . . 64 PHE HA . 28016 1 616 . 1 . 1 64 64 PHE HD1 H 1 7.035 0.001 . 3 . . . . . 64 PHE HD1 . 28016 1 617 . 1 . 1 64 64 PHE HD2 H 1 7.035 0.001 . 3 . . . . . 64 PHE HD2 . 28016 1 618 . 1 . 1 64 64 PHE CB C 13 41.616 0.015 . 1 . . . . . 64 PHE CB . 28016 1 619 . 1 . 1 64 64 PHE CD1 C 13 132.892 0.015 . 1 . . . . . 64 PHE CD1 . 28016 1 620 . 1 . 1 64 64 PHE CD2 C 13 132.892 0.015 . 1 . . . . . 64 PHE CD2 . 28016 1 621 . 1 . 1 64 64 PHE N N 15 113.431 0.05 . 1 . . . . . 64 PHE N . 28016 1 622 . 1 . 1 66 66 TYR HD1 H 1 6.909 0.005 . 3 . . . . . 66 TYR HD1 . 28016 1 623 . 1 . 1 66 66 TYR HD2 H 1 6.909 0.005 . 3 . . . . . 66 TYR HD2 . 28016 1 624 . 1 . 1 66 66 TYR HE1 H 1 6.751 0.05 . 3 . . . . . 66 TYR HE1 . 28016 1 625 . 1 . 1 66 66 TYR HE2 H 1 6.751 0.05 . 3 . . . . . 66 TYR HE2 . 28016 1 626 . 1 . 1 66 66 TYR CB C 13 41.914 0.015 . 1 . . . . . 66 TYR CB . 28016 1 627 . 1 . 1 66 66 TYR CD1 C 13 133.474 0.015 . 1 . . . . . 66 TYR CD1 . 28016 1 628 . 1 . 1 66 66 TYR CD2 C 13 133.474 0.015 . 1 . . . . . 66 TYR CD2 . 28016 1 629 . 1 . 1 67 67 MET HA H 1 5.205 0.05 . 1 . . . . . 67 MET HA . 28016 1 630 . 1 . 1 67 67 MET HG2 H 1 2.455 0.05 . 1 . . . . . 67 MET HG2 . 28016 1 631 . 1 . 1 67 67 MET HG3 H 1 2.455 0.05 . 1 . . . . . 67 MET HG3 . 28016 1 632 . 1 . 1 67 67 MET C C 13 174.304 0.10 . 1 . . . . . 67 MET C . 28016 1 633 . 1 . 1 67 67 MET CA C 13 54.671 0.015 . 1 . . . . . 67 MET CA . 28016 1 634 . 1 . 1 67 67 MET CB C 13 37.810 0.015 . 1 . . . . . 67 MET CB . 28016 1 635 . 1 . 1 67 67 MET CG C 13 31.644 0.015 . 1 . . . . . 67 MET CG . 28016 1 636 . 1 . 1 68 68 LYS H H 1 8.899 0.05 . 1 . . . . . 68 LYS H . 28016 1 637 . 1 . 1 68 68 LYS HA H 1 5.861 0.05 . 1 . . . . . 68 LYS HA . 28016 1 638 . 1 . 1 68 68 LYS HB2 H 1 1.769 0.05 . 1 . . . . . 68 LYS HB2 . 28016 1 639 . 1 . 1 68 68 LYS HB3 H 1 1.769 0.05 . 1 . . . . . 68 LYS HB3 . 28016 1 640 . 1 . 1 68 68 LYS C C 13 176.098 0.10 . 1 . . . . . 68 LYS C . 28016 1 641 . 1 . 1 68 68 LYS CA C 13 54.965 0.015 . 1 . . . . . 68 LYS CA . 28016 1 642 . 1 . 1 68 68 LYS CB C 13 36.743 0.015 . 1 . . . . . 68 LYS CB . 28016 1 643 . 1 . 1 68 68 LYS N N 15 118.223 0.05 . 1 . . . . . 68 LYS N . 28016 1 644 . 1 . 1 69 69 HIS H H 1 9.119 0.05 . 1 . . . . . 69 HIS H . 28016 1 645 . 1 . 1 69 69 HIS HA H 1 5.956 0.05 . 1 . . . . . 69 HIS HA . 28016 1 646 . 1 . 1 69 69 HIS C C 13 174.673 0.10 . 1 . . . . . 69 HIS C . 28016 1 647 . 1 . 1 69 69 HIS CA C 13 52.227 0.015 . 1 . . . . . 69 HIS CA . 28016 1 648 . 1 . 1 69 69 HIS CB C 13 36.766 0.015 . 1 . . . . . 69 HIS CB . 28016 1 649 . 1 . 1 69 69 HIS N N 15 122.249 0.05 . 1 . . . . . 69 HIS N . 28016 1 650 . 1 . 1 70 70 LYS H H 1 9.559 0.05 . 1 . . . . . 70 LYS H . 28016 1 651 . 1 . 1 70 70 LYS HA H 1 5.459 0.05 . 1 . . . . . 70 LYS HA . 28016 1 652 . 1 . 1 70 70 LYS HB2 H 1 1.603 0.05 . 2 . . . . . 70 LYS HB2 . 28016 1 653 . 1 . 1 70 70 LYS HB3 H 1 1.913 0.05 . 2 . . . . . 70 LYS HB3 . 28016 1 654 . 1 . 1 70 70 LYS HG2 H 1 1.147 0.05 . 1 . . . . . 70 LYS HG2 . 28016 1 655 . 1 . 1 70 70 LYS HG3 H 1 1.147 0.05 . 1 . . . . . 70 LYS HG3 . 28016 1 656 . 1 . 1 70 70 LYS HD2 H 1 1.603 0.05 . 1 . . . . . 70 LYS HD2 . 28016 1 657 . 1 . 1 70 70 LYS HD3 H 1 1.603 0.05 . 1 . . . . . 70 LYS HD3 . 28016 1 658 . 1 . 1 70 70 LYS HE2 H 1 2.905 0.05 . 1 . . . . . 70 LYS HE2 . 28016 1 659 . 1 . 1 70 70 LYS HE3 H 1 2.905 0.05 . 1 . . . . . 70 LYS HE3 . 28016 1 660 . 1 . 1 70 70 LYS C C 13 176.285 0.10 . 1 . . . . . 70 LYS C . 28016 1 661 . 1 . 1 70 70 LYS CA C 13 54.247 0.015 . 1 . . . . . 70 LYS CA . 28016 1 662 . 1 . 1 70 70 LYS CB C 13 35.977 0.015 . 1 . . . . . 70 LYS CB . 28016 1 663 . 1 . 1 70 70 LYS CG C 13 25.266 0.015 . 1 . . . . . 70 LYS CG . 28016 1 664 . 1 . 1 70 70 LYS CD C 13 29.674 0.015 . 1 . . . . . 70 LYS CD . 28016 1 665 . 1 . 1 70 70 LYS CE C 13 42.378 0.015 . 1 . . . . . 70 LYS CE . 28016 1 666 . 1 . 1 70 70 LYS N N 15 122.846 0.05 . 1 . . . . . 70 LYS N . 28016 1 667 . 1 . 1 71 71 VAL H H 1 9.362 0.05 . 1 . . . . . 71 VAL H . 28016 1 668 . 1 . 1 71 71 VAL HA H 1 3.794 0.05 . 1 . . . . . 71 VAL HA . 28016 1 669 . 1 . 1 71 71 VAL HB H 1 2.140 0.05 . 1 . . . . . 71 VAL HB . 28016 1 670 . 1 . 1 71 71 VAL HG11 H 1 1.009 0.05 . 1 . . . . . 71 VAL MG1 . 28016 1 671 . 1 . 1 71 71 VAL HG12 H 1 1.009 0.05 . 1 . . . . . 71 VAL MG1 . 28016 1 672 . 1 . 1 71 71 VAL HG13 H 1 1.009 0.05 . 1 . . . . . 71 VAL MG1 . 28016 1 673 . 1 . 1 71 71 VAL HG21 H 1 1.009 0.05 . 1 . . . . . 71 VAL MG2 . 28016 1 674 . 1 . 1 71 71 VAL HG22 H 1 1.009 0.05 . 1 . . . . . 71 VAL MG2 . 28016 1 675 . 1 . 1 71 71 VAL HG23 H 1 1.009 0.05 . 1 . . . . . 71 VAL MG2 . 28016 1 676 . 1 . 1 71 71 VAL C C 13 175.950 0.10 . 1 . . . . . 71 VAL C . 28016 1 677 . 1 . 1 71 71 VAL CA C 13 64.477 0.015 . 1 . . . . . 71 VAL CA . 28016 1 678 . 1 . 1 71 71 VAL CB C 13 32.584 0.015 . 1 . . . . . 71 VAL CB . 28016 1 679 . 1 . 1 71 71 VAL CG1 C 13 20.990 0.015 . 1 . . . . . 71 VAL CG1 . 28016 1 680 . 1 . 1 71 71 VAL CG2 C 13 20.990 0.015 . 1 . . . . . 71 VAL CG2 . 28016 1 681 . 1 . 1 71 71 VAL N N 15 128.847 0.05 . 1 . . . . . 71 VAL N . 28016 1 682 . 1 . 1 72 72 GLU H H 1 8.950 0.05 . 1 . . . . . 72 GLU H . 28016 1 683 . 1 . 1 72 72 GLU HA H 1 4.713 0.05 . 1 . . . . . 72 GLU HA . 28016 1 684 . 1 . 1 72 72 GLU HB2 H 1 1.589 0.05 . 1 . . . . . 72 GLU HB2 . 28016 1 685 . 1 . 1 72 72 GLU HB3 H 1 1.589 0.05 . 1 . . . . . 72 GLU HB3 . 28016 1 686 . 1 . 1 72 72 GLU HG2 H 1 2.133 0.05 . 1 . . . . . 72 GLU HG2 . 28016 1 687 . 1 . 1 72 72 GLU HG3 H 1 2.133 0.05 . 1 . . . . . 72 GLU HG3 . 28016 1 688 . 1 . 1 72 72 GLU C C 13 176.252 0.10 . 1 . . . . . 72 GLU C . 28016 1 689 . 1 . 1 72 72 GLU CA C 13 57.445 0.015 . 1 . . . . . 72 GLU CA . 28016 1 690 . 1 . 1 72 72 GLU CB C 13 31.735 0.015 . 1 . . . . . 72 GLU CB . 28016 1 691 . 1 . 1 72 72 GLU CG C 13 36.020 0.015 . 1 . . . . . 72 GLU CG . 28016 1 692 . 1 . 1 72 72 GLU N N 15 128.552 0.05 . 1 . . . . . 72 GLU N . 28016 1 693 . 1 . 1 73 73 GLU H H 1 8.040 0.05 . 1 . . . . . 73 GLU H . 28016 1 694 . 1 . 1 73 73 GLU HA H 1 4.588 0.05 . 1 . . . . . 73 GLU HA . 28016 1 695 . 1 . 1 73 73 GLU HB2 H 1 1.921 0.05 . 1 . . . . . 73 GLU HB2 . 28016 1 696 . 1 . 1 73 73 GLU HB3 H 1 1.921 0.05 . 1 . . . . . 73 GLU HB3 . 28016 1 697 . 1 . 1 73 73 GLU HG2 H 1 2.221 0.05 . 1 . . . . . 73 GLU HG2 . 28016 1 698 . 1 . 1 73 73 GLU HG3 H 1 2.221 0.05 . 1 . . . . . 73 GLU HG3 . 28016 1 699 . 1 . 1 73 73 GLU C C 13 174.301 0.10 . 1 . . . . . 73 GLU C . 28016 1 700 . 1 . 1 73 73 GLU CA C 13 56.710 0.015 . 1 . . . . . 73 GLU CA . 28016 1 701 . 1 . 1 73 73 GLU CB C 13 34.244 0.015 . 1 . . . . . 73 GLU CB . 28016 1 702 . 1 . 1 73 73 GLU CG C 13 36.175 0.015 . 1 . . . . . 73 GLU CG . 28016 1 703 . 1 . 1 73 73 GLU N N 15 117.556 0.05 . 1 . . . . . 73 GLU N . 28016 1 704 . 1 . 1 74 74 ILE H H 1 8.850 0.05 . 1 . . . . . 74 ILE H . 28016 1 705 . 1 . 1 74 74 ILE HA H 1 4.704 0.05 . 1 . . . . . 74 ILE HA . 28016 1 706 . 1 . 1 74 74 ILE HB H 1 1.933 0.05 . 1 . . . . . 74 ILE HB . 28016 1 707 . 1 . 1 74 74 ILE HG12 H 1 1.385 0.05 . 1 . . . . . 74 ILE HG12 . 28016 1 708 . 1 . 1 74 74 ILE HG13 H 1 1.385 0.05 . 1 . . . . . 74 ILE HG13 . 28016 1 709 . 1 . 1 74 74 ILE HG21 H 1 1.066 0.05 . 1 . . . . . 74 ILE MG . 28016 1 710 . 1 . 1 74 74 ILE HG22 H 1 1.066 0.05 . 1 . . . . . 74 ILE MG . 28016 1 711 . 1 . 1 74 74 ILE HG23 H 1 1.066 0.05 . 1 . . . . . 74 ILE MG . 28016 1 712 . 1 . 1 74 74 ILE HD11 H 1 0.810 0.05 . 1 . . . . . 74 ILE MD . 28016 1 713 . 1 . 1 74 74 ILE HD12 H 1 0.810 0.05 . 1 . . . . . 74 ILE MD . 28016 1 714 . 1 . 1 74 74 ILE HD13 H 1 0.810 0.05 . 1 . . . . . 74 ILE MD . 28016 1 715 . 1 . 1 74 74 ILE C C 13 173.775 0.10 . 1 . . . . . 74 ILE C . 28016 1 716 . 1 . 1 74 74 ILE CA C 13 62.346 0.015 . 1 . . . . . 74 ILE CA . 28016 1 717 . 1 . 1 74 74 ILE CB C 13 41.041 0.015 . 1 . . . . . 74 ILE CB . 28016 1 718 . 1 . 1 74 74 ILE CG1 C 13 27.245 0.015 . 1 . . . . . 74 ILE CG1 . 28016 1 719 . 1 . 1 74 74 ILE CG2 C 13 17.709 0.015 . 1 . . . . . 74 ILE CG2 . 28016 1 720 . 1 . 1 74 74 ILE CD1 C 13 14.104 0.015 . 1 . . . . . 74 ILE CD1 . 28016 1 721 . 1 . 1 74 74 ILE N N 15 123.733 0.05 . 1 . . . . . 74 ILE N . 28016 1 722 . 1 . 1 75 75 ASP H H 1 9.325 0.05 . 1 . . . . . 75 ASP H . 28016 1 723 . 1 . 1 75 75 ASP HA H 1 5.112 0.05 . 1 . . . . . 75 ASP HA . 28016 1 724 . 1 . 1 75 75 ASP HB2 H 1 2.981 0.05 . 2 . . . . . 75 ASP HB2 . 28016 1 725 . 1 . 1 75 75 ASP HB3 H 1 2.665 0.05 . 2 . . . . . 75 ASP HB3 . 28016 1 726 . 1 . 1 75 75 ASP C C 13 176.294 0.10 . 1 . . . . . 75 ASP C . 28016 1 727 . 1 . 1 75 75 ASP CA C 13 52.029 0.015 . 1 . . . . . 75 ASP CA . 28016 1 728 . 1 . 1 75 75 ASP CB C 13 41.691 0.015 . 1 . . . . . 75 ASP CB . 28016 1 729 . 1 . 1 75 75 ASP N N 15 127.292 0.05 . 1 . . . . . 75 ASP N . 28016 1 730 . 1 . 1 76 76 HIS H H 1 8.640 0.05 . 1 . . . . . 76 HIS H . 28016 1 731 . 1 . 1 76 76 HIS HA H 1 3.987 0.05 . 1 . . . . . 76 HIS HA . 28016 1 732 . 1 . 1 76 76 HIS HB2 H 1 3.085 0.05 . 1 . . . . . 76 HIS HB2 . 28016 1 733 . 1 . 1 76 76 HIS HB3 H 1 3.085 0.05 . 1 . . . . . 76 HIS HB3 . 28016 1 734 . 1 . 1 76 76 HIS HD2 H 1 7.234 0.002 . 1 . . . . . 76 HIS HD2 . 28016 1 735 . 1 . 1 76 76 HIS C C 13 177.136 0.10 . 1 . . . . . 76 HIS C . 28016 1 736 . 1 . 1 76 76 HIS CA C 13 59.551 0.015 . 1 . . . . . 76 HIS CA . 28016 1 737 . 1 . 1 76 76 HIS CB C 13 31.180 0.015 . 1 . . . . . 76 HIS CB . 28016 1 738 . 1 . 1 76 76 HIS CD2 C 13 118.712 0.015 . 1 . . . . . 76 HIS CD2 . 28016 1 739 . 1 . 1 76 76 HIS N N 15 122.815 0.05 . 1 . . . . . 76 HIS N . 28016 1 740 . 1 . 1 76 76 HIS ND1 N 15 227.646 0.05 . 1 . . . . . 76 HIS ND1 . 28016 1 741 . 1 . 1 76 76 HIS NE2 N 15 165.993 0.05 . 1 . . . . . 76 HIS NE2 . 28016 1 742 . 1 . 1 77 77 ALA H H 1 8.048 0.05 . 1 . . . . . 77 ALA H . 28016 1 743 . 1 . 1 77 77 ALA HA H 1 3.865 0.05 . 1 . . . . . 77 ALA HA . 28016 1 744 . 1 . 1 77 77 ALA HB1 H 1 1.290 0.05 . 1 . . . . . 77 ALA MB . 28016 1 745 . 1 . 1 77 77 ALA HB2 H 1 1.290 0.05 . 1 . . . . . 77 ALA MB . 28016 1 746 . 1 . 1 77 77 ALA HB3 H 1 1.290 0.05 . 1 . . . . . 77 ALA MB . 28016 1 747 . 1 . 1 77 77 ALA C C 13 177.973 0.10 . 1 . . . . . 77 ALA C . 28016 1 748 . 1 . 1 77 77 ALA CA C 13 53.844 0.015 . 1 . . . . . 77 ALA CA . 28016 1 749 . 1 . 1 77 77 ALA CB C 13 18.832 0.015 . 1 . . . . . 77 ALA CB . 28016 1 750 . 1 . 1 77 77 ALA N N 15 119.533 0.05 . 1 . . . . . 77 ALA N . 28016 1 751 . 1 . 1 78 78 ASN H H 1 7.105 0.05 . 1 . . . . . 78 ASN H . 28016 1 752 . 1 . 1 78 78 ASN HA H 1 4.463 0.05 . 1 . . . . . 78 ASN HA . 28016 1 753 . 1 . 1 78 78 ASN HB2 H 1 2.169 0.05 . 2 . . . . . 78 ASN HB2 . 28016 1 754 . 1 . 1 78 78 ASN HB3 H 1 2.702 0.05 . 2 . . . . . 78 ASN HB3 . 28016 1 755 . 1 . 1 78 78 ASN HD21 H 1 6.955 0.05 . 2 . . . . . 78 ASN HD21 . 28016 1 756 . 1 . 1 78 78 ASN HD22 H 1 8.785 0.05 . 2 . . . . . 78 ASN HD22 . 28016 1 757 . 1 . 1 78 78 ASN C C 13 172.690 0.10 . 1 . . . . . 78 ASN C . 28016 1 758 . 1 . 1 78 78 ASN CA C 13 51.688 0.015 . 1 . . . . . 78 ASN CA . 28016 1 759 . 1 . 1 78 78 ASN CB C 13 39.440 0.015 . 1 . . . . . 78 ASN CB . 28016 1 760 . 1 . 1 78 78 ASN CG C 13 177.511 0.10 . 1 . . . . . 78 ASN CG . 28016 1 761 . 1 . 1 78 78 ASN N N 15 111.623 0.05 . 1 . . . . . 78 ASN N . 28016 1 762 . 1 . 1 78 78 ASN ND2 N 15 118.567 0.05 . 1 . . . . . 78 ASN ND2 . 28016 1 763 . 1 . 1 79 79 PHE H H 1 6.829 0.05 . 1 . . . . . 79 PHE H . 28016 1 764 . 1 . 1 79 79 PHE HA H 1 3.712 0.05 . 1 . . . . . 79 PHE HA . 28016 1 765 . 1 . 1 79 79 PHE HB2 H 1 2.587 0.05 . 1 . . . . . 79 PHE HB2 . 28016 1 766 . 1 . 1 79 79 PHE HB3 H 1 2.587 0.05 . 1 . . . . . 79 PHE HB3 . 28016 1 767 . 1 . 1 79 79 PHE HD1 H 1 6.648 0.003 . 3 . . . . . 79 PHE HD1 . 28016 1 768 . 1 . 1 79 79 PHE HD2 H 1 6.648 0.003 . 3 . . . . . 79 PHE HD2 . 28016 1 769 . 1 . 1 79 79 PHE HE1 H 1 7.235 0.002 . 3 . . . . . 79 PHE HE1 . 28016 1 770 . 1 . 1 79 79 PHE HE2 H 1 7.235 0.002 . 3 . . . . . 79 PHE HE2 . 28016 1 771 . 1 . 1 79 79 PHE C C 13 173.123 0.10 . 1 . . . . . 79 PHE C . 28016 1 772 . 1 . 1 79 79 PHE CA C 13 56.403 0.015 . 1 . . . . . 79 PHE CA . 28016 1 773 . 1 . 1 79 79 PHE CB C 13 36.207 0.015 . 1 . . . . . 79 PHE CB . 28016 1 774 . 1 . 1 79 79 PHE CD1 C 13 131.194 0.015 . 1 . . . . . 79 PHE CD1 . 28016 1 775 . 1 . 1 79 79 PHE CD2 C 13 131.194 0.015 . 1 . . . . . 79 PHE CD2 . 28016 1 776 . 1 . 1 79 79 PHE CE1 C 13 132.004 0.015 . 1 . . . . . 79 PHE CE1 . 28016 1 777 . 1 . 1 79 79 PHE CE2 C 13 132.004 0.015 . 1 . . . . . 79 PHE CE2 . 28016 1 778 . 1 . 1 79 79 PHE N N 15 116.302 0.05 . 1 . . . . . 79 PHE N . 28016 1 779 . 1 . 1 80 80 LYS H H 1 7.930 0.05 . 1 . . . . . 80 LYS H . 28016 1 780 . 1 . 1 80 80 LYS HA H 1 5.760 0.05 . 1 . . . . . 80 LYS HA . 28016 1 781 . 1 . 1 80 80 LYS HB2 H 1 1.827 0.05 . 1 . . . . . 80 LYS HB2 . 28016 1 782 . 1 . 1 80 80 LYS HB3 H 1 1.827 0.05 . 1 . . . . . 80 LYS HB3 . 28016 1 783 . 1 . 1 80 80 LYS HG2 H 1 1.534 0.05 . 1 . . . . . 80 LYS HG2 . 28016 1 784 . 1 . 1 80 80 LYS HG3 H 1 1.534 0.05 . 1 . . . . . 80 LYS HG3 . 28016 1 785 . 1 . 1 80 80 LYS HD2 H 1 1.647 0.05 . 1 . . . . . 80 LYS HD2 . 28016 1 786 . 1 . 1 80 80 LYS HD3 H 1 1.647 0.05 . 1 . . . . . 80 LYS HD3 . 28016 1 787 . 1 . 1 80 80 LYS HE2 H 1 2.789 0.05 . 1 . . . . . 80 LYS HE2 . 28016 1 788 . 1 . 1 80 80 LYS HE3 H 1 2.789 0.05 . 1 . . . . . 80 LYS HE3 . 28016 1 789 . 1 . 1 80 80 LYS C C 13 174.246 0.10 . 1 . . . . . 80 LYS C . 28016 1 790 . 1 . 1 80 80 LYS CA C 13 54.477 0.015 . 1 . . . . . 80 LYS CA . 28016 1 791 . 1 . 1 80 80 LYS CB C 13 37.050 0.015 . 1 . . . . . 80 LYS CB . 28016 1 792 . 1 . 1 80 80 LYS CG C 13 25.869 0.015 . 1 . . . . . 80 LYS CG . 28016 1 793 . 1 . 1 80 80 LYS CD C 13 29.835 0.015 . 1 . . . . . 80 LYS CD . 28016 1 794 . 1 . 1 80 80 LYS N N 15 118.841 0.05 . 1 . . . . . 80 LYS N . 28016 1 795 . 1 . 1 81 81 TYR H H 1 9.635 0.05 . 1 . . . . . 81 TYR H . 28016 1 796 . 1 . 1 81 81 TYR HA H 1 5.621 0.05 . 1 . . . . . 81 TYR HA . 28016 1 797 . 1 . 1 81 81 TYR HB2 H 1 3.023 0.05 . 1 . . . . . 81 TYR HB2 . 28016 1 798 . 1 . 1 81 81 TYR HB3 H 1 3.023 0.05 . 1 . . . . . 81 TYR HB3 . 28016 1 799 . 1 . 1 81 81 TYR HD1 H 1 7.106 0.001 . 3 . . . . . 81 TYR HD1 . 28016 1 800 . 1 . 1 81 81 TYR HD2 H 1 7.106 0.001 . 3 . . . . . 81 TYR HD2 . 28016 1 801 . 1 . 1 81 81 TYR HE1 H 1 6.543 0.05 . 3 . . . . . 81 TYR HE1 . 28016 1 802 . 1 . 1 81 81 TYR HE2 H 1 6.543 0.05 . 3 . . . . . 81 TYR HE2 . 28016 1 803 . 1 . 1 81 81 TYR C C 13 173.973 0.10 . 1 . . . . . 81 TYR C . 28016 1 804 . 1 . 1 81 81 TYR CA C 13 55.195 0.015 . 1 . . . . . 81 TYR CA . 28016 1 805 . 1 . 1 81 81 TYR CB C 13 43.848 0.015 . 1 . . . . . 81 TYR CB . 28016 1 806 . 1 . 1 81 81 TYR CD1 C 13 132.844 0.015 . 1 . . . . . 81 TYR CD1 . 28016 1 807 . 1 . 1 81 81 TYR CD2 C 13 132.844 0.015 . 1 . . . . . 81 TYR CD2 . 28016 1 808 . 1 . 1 81 81 TYR CE1 C 13 118.305 0.015 . 1 . . . . . 81 TYR CE1 . 28016 1 809 . 1 . 1 81 81 TYR CE2 C 13 118.305 0.015 . 1 . . . . . 81 TYR CE2 . 28016 1 810 . 1 . 1 81 81 TYR N N 15 129.034 0.05 . 1 . . . . . 81 TYR N . 28016 1 811 . 1 . 1 82 82 CYS H H 1 9.061 0.05 . 1 . . . . . 82 CYS H . 28016 1 812 . 1 . 1 82 82 CYS HA H 1 5.561 0.05 . 1 . . . . . 82 CYS HA . 28016 1 813 . 1 . 1 82 82 CYS HB2 H 1 2.783 0.05 . 2 . . . . . 82 CYS HB2 . 28016 1 814 . 1 . 1 82 82 CYS HB3 H 1 3.439 0.05 . 2 . . . . . 82 CYS HB3 . 28016 1 815 . 1 . 1 82 82 CYS C C 13 173.358 0.10 . 1 . . . . . 82 CYS C . 28016 1 816 . 1 . 1 82 82 CYS CA C 13 55.729 0.015 . 1 . . . . . 82 CYS CA . 28016 1 817 . 1 . 1 82 82 CYS CB C 13 30.552 0.015 . 1 . . . . . 82 CYS CB . 28016 1 818 . 1 . 1 82 82 CYS N N 15 124.234 0.05 . 1 . . . . . 82 CYS N . 28016 1 819 . 1 . 1 83 83 TYR H H 1 8.533 0.05 . 1 . . . . . 83 TYR H . 28016 1 820 . 1 . 1 83 83 TYR HA H 1 5.297 0.05 . 1 . . . . . 83 TYR HA . 28016 1 821 . 1 . 1 83 83 TYR HB2 H 1 2.678 0.05 . 1 . . . . . 83 TYR HB2 . 28016 1 822 . 1 . 1 83 83 TYR HB3 H 1 2.678 0.05 . 1 . . . . . 83 TYR HB3 . 28016 1 823 . 1 . 1 83 83 TYR HD1 H 1 6.156 0.005 . 3 . . . . . 83 TYR HD1 . 28016 1 824 . 1 . 1 83 83 TYR HD2 H 1 6.156 0.005 . 3 . . . . . 83 TYR HD2 . 28016 1 825 . 1 . 1 83 83 TYR HE1 H 1 5.978 0.008 . 3 . . . . . 83 TYR HE1 . 28016 1 826 . 1 . 1 83 83 TYR HE2 H 1 5.978 0.008 . 3 . . . . . 83 TYR HE2 . 28016 1 827 . 1 . 1 83 83 TYR C C 13 171.968 0.10 . 1 . . . . . 83 TYR C . 28016 1 828 . 1 . 1 83 83 TYR CA C 13 55.875 0.015 . 1 . . . . . 83 TYR CA . 28016 1 829 . 1 . 1 83 83 TYR CB C 13 40.827 0.015 . 1 . . . . . 83 TYR CB . 28016 1 830 . 1 . 1 83 83 TYR CD1 C 13 132.890 0.015 . 1 . . . . . 83 TYR CD1 . 28016 1 831 . 1 . 1 83 83 TYR CD2 C 13 132.890 0.015 . 1 . . . . . 83 TYR CD2 . 28016 1 832 . 1 . 1 83 83 TYR CE1 C 13 117.512 0.015 . 1 . . . . . 83 TYR CE1 . 28016 1 833 . 1 . 1 83 83 TYR CE2 C 13 117.512 0.015 . 1 . . . . . 83 TYR CE2 . 28016 1 834 . 1 . 1 83 83 TYR N N 15 122.751 0.05 . 1 . . . . . 83 TYR N . 28016 1 835 . 1 . 1 84 84 SER H H 1 9.195 0.05 . 1 . . . . . 84 SER H . 28016 1 836 . 1 . 1 84 84 SER HA H 1 5.461 0.05 . 1 . . . . . 84 SER HA . 28016 1 837 . 1 . 1 84 84 SER HB2 H 1 3.359 0.05 . 1 . . . . . 84 SER HB2 . 28016 1 838 . 1 . 1 84 84 SER HB3 H 1 3.359 0.05 . 1 . . . . . 84 SER HB3 . 28016 1 839 . 1 . 1 84 84 SER C C 13 174.611 0.10 . 1 . . . . . 84 SER C . 28016 1 840 . 1 . 1 84 84 SER CA C 13 56.127 0.015 . 1 . . . . . 84 SER CA . 28016 1 841 . 1 . 1 84 84 SER CB C 13 66.133 0.015 . 1 . . . . . 84 SER CB . 28016 1 842 . 1 . 1 84 84 SER N N 15 113.382 0.05 . 1 . . . . . 84 SER N . 28016 1 843 . 1 . 1 85 85 ILE H H 1 8.483 0.05 . 1 . . . . . 85 ILE H . 28016 1 844 . 1 . 1 85 85 ILE HA H 1 4.612 0.05 . 1 . . . . . 85 ILE HA . 28016 1 845 . 1 . 1 85 85 ILE HB H 1 1.964 0.05 . 1 . . . . . 85 ILE HB . 28016 1 846 . 1 . 1 85 85 ILE HD11 H 1 1.157 0.05 . 1 . . . . . 85 ILE MD . 28016 1 847 . 1 . 1 85 85 ILE HD12 H 1 1.157 0.05 . 1 . . . . . 85 ILE MD . 28016 1 848 . 1 . 1 85 85 ILE HD13 H 1 1.157 0.05 . 1 . . . . . 85 ILE MD . 28016 1 849 . 1 . 1 85 85 ILE C C 13 176.423 0.10 . 1 . . . . . 85 ILE C . 28016 1 850 . 1 . 1 85 85 ILE CA C 13 62.862 0.015 . 1 . . . . . 85 ILE CA . 28016 1 851 . 1 . 1 85 85 ILE CB C 13 37.833 0.015 . 1 . . . . . 85 ILE CB . 28016 1 852 . 1 . 1 85 85 ILE CD1 C 13 14.460 0.015 . 1 . . . . . 85 ILE CD1 . 28016 1 853 . 1 . 1 85 85 ILE N N 15 125.452 0.05 . 1 . . . . . 85 ILE N . 28016 1 854 . 1 . 1 86 86 ILE HA H 1 4.850 0.05 . 1 . . . . . 86 ILE HA . 28016 1 855 . 1 . 1 86 86 ILE HB H 1 2.278 0.05 . 1 . . . . . 86 ILE HB . 28016 1 856 . 1 . 1 86 86 ILE HG12 H 1 1.283 0.05 . 1 . . . . . 86 ILE HG12 . 28016 1 857 . 1 . 1 86 86 ILE HG13 H 1 1.283 0.05 . 1 . . . . . 86 ILE HG13 . 28016 1 858 . 1 . 1 86 86 ILE HG21 H 1 0.852 0.05 . 1 . . . . . 86 ILE MG . 28016 1 859 . 1 . 1 86 86 ILE HG22 H 1 0.852 0.05 . 1 . . . . . 86 ILE MG . 28016 1 860 . 1 . 1 86 86 ILE HG23 H 1 0.852 0.05 . 1 . . . . . 86 ILE MG . 28016 1 861 . 1 . 1 86 86 ILE HD11 H 1 0.852 0.05 . 1 . . . . . 86 ILE MD . 28016 1 862 . 1 . 1 86 86 ILE HD12 H 1 0.852 0.05 . 1 . . . . . 86 ILE MD . 28016 1 863 . 1 . 1 86 86 ILE HD13 H 1 0.852 0.05 . 1 . . . . . 86 ILE MD . 28016 1 864 . 1 . 1 86 86 ILE C C 13 175.816 0.10 . 1 . . . . . 86 ILE C . 28016 1 865 . 1 . 1 86 86 ILE CA C 13 61.145 0.015 . 1 . . . . . 86 ILE CA . 28016 1 866 . 1 . 1 86 86 ILE CB C 13 40.567 0.015 . 1 . . . . . 86 ILE CB . 28016 1 867 . 1 . 1 86 86 ILE CG1 C 13 26.353 0.015 . 1 . . . . . 86 ILE CG1 . 28016 1 868 . 1 . 1 86 86 ILE CG2 C 13 18.965 0.015 . 1 . . . . . 86 ILE CG2 . 28016 1 869 . 1 . 1 86 86 ILE CD1 C 13 14.176 0.015 . 1 . . . . . 86 ILE CD1 . 28016 1 870 . 1 . 1 87 87 GLU H H 1 7.581 0.05 . 1 . . . . . 87 GLU H . 28016 1 871 . 1 . 1 87 87 GLU HA H 1 4.394 0.05 . 1 . . . . . 87 GLU HA . 28016 1 872 . 1 . 1 87 87 GLU HB2 H 1 2.288 0.05 . 1 . . . . . 87 GLU HB2 . 28016 1 873 . 1 . 1 87 87 GLU HB3 H 1 2.288 0.05 . 1 . . . . . 87 GLU HB3 . 28016 1 874 . 1 . 1 87 87 GLU HG2 H 1 2.465 0.05 . 1 . . . . . 87 GLU HG2 . 28016 1 875 . 1 . 1 87 87 GLU HG3 H 1 2.465 0.05 . 1 . . . . . 87 GLU HG3 . 28016 1 876 . 1 . 1 87 87 GLU C C 13 175.079 0.10 . 1 . . . . . 87 GLU C . 28016 1 877 . 1 . 1 87 87 GLU CA C 13 57.628 0.015 . 1 . . . . . 87 GLU CA . 28016 1 878 . 1 . 1 87 87 GLU CB C 13 35.037 0.015 . 1 . . . . . 87 GLU CB . 28016 1 879 . 1 . 1 87 87 GLU CG C 13 37.280 0.015 . 1 . . . . . 87 GLU CG . 28016 1 880 . 1 . 1 87 87 GLU N N 15 121.987 0.05 . 1 . . . . . 87 GLU N . 28016 1 881 . 1 . 1 88 88 GLY H H 1 9.111 0.05 . 1 . . . . . 88 GLY H . 28016 1 882 . 1 . 1 88 88 GLY HA2 H 1 4.312 0.05 . 2 . . . . . 88 GLY HA2 . 28016 1 883 . 1 . 1 88 88 GLY HA3 H 1 3.814 0.05 . 2 . . . . . 88 GLY HA3 . 28016 1 884 . 1 . 1 88 88 GLY C C 13 173.661 0.10 . 1 . . . . . 88 GLY C . 28016 1 885 . 1 . 1 88 88 GLY CA C 13 44.576 0.015 . 1 . . . . . 88 GLY CA . 28016 1 886 . 1 . 1 88 88 GLY N N 15 112.995 0.05 . 1 . . . . . 88 GLY N . 28016 1 887 . 1 . 1 90 90 PRO HA H 1 4.445 0.05 . 1 . . . . . 90 PRO HA . 28016 1 888 . 1 . 1 90 90 PRO HB2 H 1 2.190 0.05 . 2 . . . . . 90 PRO HB2 . 28016 1 889 . 1 . 1 90 90 PRO HB3 H 1 2.324 0.05 . 2 . . . . . 90 PRO HB3 . 28016 1 890 . 1 . 1 90 90 PRO HG2 H 1 1.928 0.05 . 1 . . . . . 90 PRO HG2 . 28016 1 891 . 1 . 1 90 90 PRO HG3 H 1 1.928 0.05 . 1 . . . . . 90 PRO HG3 . 28016 1 892 . 1 . 1 90 90 PRO C C 13 176.542 0.10 . 1 . . . . . 90 PRO C . 28016 1 893 . 1 . 1 90 90 PRO CA C 13 63.488 0.015 . 1 . . . . . 90 PRO CA . 28016 1 894 . 1 . 1 90 90 PRO CB C 13 32.377 0.015 . 1 . . . . . 90 PRO CB . 28016 1 895 . 1 . 1 90 90 PRO CG C 13 26.368 0.015 . 1 . . . . . 90 PRO CG . 28016 1 896 . 1 . 1 91 91 LEU H H 1 7.698 0.05 . 1 . . . . . 91 LEU H . 28016 1 897 . 1 . 1 91 91 LEU HA H 1 4.143 0.05 . 1 . . . . . 91 LEU HA . 28016 1 898 . 1 . 1 91 91 LEU HB2 H 1 1.731 0.05 . 1 . . . . . 91 LEU HB2 . 28016 1 899 . 1 . 1 91 91 LEU HB3 H 1 1.731 0.05 . 1 . . . . . 91 LEU HB3 . 28016 1 900 . 1 . 1 91 91 LEU HG H 1 1.627 0.05 . 1 . . . . . 91 LEU HG . 28016 1 901 . 1 . 1 91 91 LEU HD11 H 1 0.616 0.05 . 2 . . . . . 91 LEU MD1 . 28016 1 902 . 1 . 1 91 91 LEU HD12 H 1 0.616 0.05 . 2 . . . . . 91 LEU MD1 . 28016 1 903 . 1 . 1 91 91 LEU HD13 H 1 0.616 0.05 . 2 . . . . . 91 LEU MD1 . 28016 1 904 . 1 . 1 91 91 LEU HD21 H 1 0.751 0.05 . 2 . . . . . 91 LEU MD2 . 28016 1 905 . 1 . 1 91 91 LEU HD22 H 1 0.751 0.05 . 2 . . . . . 91 LEU MD2 . 28016 1 906 . 1 . 1 91 91 LEU HD23 H 1 0.751 0.05 . 2 . . . . . 91 LEU MD2 . 28016 1 907 . 1 . 1 91 91 LEU C C 13 177.785 0.10 . 1 . . . . . 91 LEU C . 28016 1 908 . 1 . 1 91 91 LEU CA C 13 56.556 0.015 . 1 . . . . . 91 LEU CA . 28016 1 909 . 1 . 1 91 91 LEU CB C 13 39.443 0.015 . 1 . . . . . 91 LEU CB . 28016 1 910 . 1 . 1 91 91 LEU CG C 13 27.286 0.015 . 1 . . . . . 91 LEU CG . 28016 1 911 . 1 . 1 91 91 LEU CD1 C 13 23.088 0.015 . 2 . . . . . 91 LEU CD1 . 28016 1 912 . 1 . 1 91 91 LEU CD2 C 13 25.580 0.015 . 2 . . . . . 91 LEU CD2 . 28016 1 913 . 1 . 1 91 91 LEU N N 15 117.943 0.05 . 1 . . . . . 91 LEU N . 28016 1 914 . 1 . 1 92 92 GLY H H 1 7.531 0.05 . 1 . . . . . 92 GLY H . 28016 1 915 . 1 . 1 92 92 GLY HA2 H 1 3.921 0.05 . 1 . . . . . 92 GLY HA2 . 28016 1 916 . 1 . 1 92 92 GLY HA3 H 1 3.921 0.05 . 1 . . . . . 92 GLY HA3 . 28016 1 917 . 1 . 1 92 92 GLY C C 13 174.805 0.10 . 1 . . . . . 92 GLY C . 28016 1 918 . 1 . 1 92 92 GLY CA C 13 46.572 0.015 . 1 . . . . . 92 GLY CA . 28016 1 919 . 1 . 1 92 92 GLY N N 15 104.338 0.05 . 1 . . . . . 92 GLY N . 28016 1 920 . 1 . 1 93 93 HIS HB2 H 1 3.199 0.05 . 1 . . . . . 93 HIS HB2 . 28016 1 921 . 1 . 1 93 93 HIS HB3 H 1 3.199 0.05 . 1 . . . . . 93 HIS HB3 . 28016 1 922 . 1 . 1 93 93 HIS HD2 H 1 7.040 0.004 . 1 . . . . . 93 HIS HD2 . 28016 1 923 . 1 . 1 93 93 HIS C C 13 176.733 0.10 . 1 . . . . . 93 HIS C . 28016 1 924 . 1 . 1 93 93 HIS CA C 13 56.289 0.015 . 1 . . . . . 93 HIS CA . 28016 1 925 . 1 . 1 93 93 HIS CB C 13 31.112 0.015 . 1 . . . . . 93 HIS CB . 28016 1 926 . 1 . 1 93 93 HIS CD2 C 13 119.539 0.015 . 1 . . . . . 93 HIS CD2 . 28016 1 927 . 1 . 1 93 93 HIS ND1 N 15 217.058 0.05 . 1 . . . . . 93 HIS ND1 . 28016 1 928 . 1 . 1 93 93 HIS NE2 N 15 167.243 0.05 . 1 . . . . . 93 HIS NE2 . 28016 1 929 . 1 . 1 94 94 THR H H 1 7.926 0.05 . 1 . . . . . 94 THR H . 28016 1 930 . 1 . 1 94 94 THR HA H 1 4.988 0.05 . 1 . . . . . 94 THR HA . 28016 1 931 . 1 . 1 94 94 THR HB H 1 4.425 0.05 . 1 . . . . . 94 THR HB . 28016 1 932 . 1 . 1 94 94 THR HG21 H 1 1.051 0.05 . 1 . . . . . 94 THR MG . 28016 1 933 . 1 . 1 94 94 THR HG22 H 1 1.051 0.05 . 1 . . . . . 94 THR MG . 28016 1 934 . 1 . 1 94 94 THR HG23 H 1 1.051 0.05 . 1 . . . . . 94 THR MG . 28016 1 935 . 1 . 1 94 94 THR C C 13 174.060 0.10 . 1 . . . . . 94 THR C . 28016 1 936 . 1 . 1 94 94 THR CA C 13 62.538 0.015 . 1 . . . . . 94 THR CA . 28016 1 937 . 1 . 1 94 94 THR CB C 13 70.313 0.015 . 1 . . . . . 94 THR CB . 28016 1 938 . 1 . 1 94 94 THR CG2 C 13 21.915 0.015 . 1 . . . . . 94 THR CG2 . 28016 1 939 . 1 . 1 94 94 THR N N 15 108.659 0.05 . 1 . . . . . 94 THR N . 28016 1 940 . 1 . 1 95 95 LEU H H 1 7.770 0.05 . 1 . . . . . 95 LEU H . 28016 1 941 . 1 . 1 95 95 LEU HA H 1 5.111 0.05 . 1 . . . . . 95 LEU HA . 28016 1 942 . 1 . 1 95 95 LEU HB2 H 1 2.104 0.05 . 1 . . . . . 95 LEU HB2 . 28016 1 943 . 1 . 1 95 95 LEU HB3 H 1 2.104 0.05 . 1 . . . . . 95 LEU HB3 . 28016 1 944 . 1 . 1 95 95 LEU HG H 1 2.152 0.05 . 1 . . . . . 95 LEU HG . 28016 1 945 . 1 . 1 95 95 LEU HD11 H 1 0.977 0.05 . 1 . . . . . 95 LEU MD1 . 28016 1 946 . 1 . 1 95 95 LEU HD12 H 1 0.977 0.05 . 1 . . . . . 95 LEU MD1 . 28016 1 947 . 1 . 1 95 95 LEU HD13 H 1 0.977 0.05 . 1 . . . . . 95 LEU MD1 . 28016 1 948 . 1 . 1 95 95 LEU HD21 H 1 0.977 0.05 . 1 . . . . . 95 LEU MD2 . 28016 1 949 . 1 . 1 95 95 LEU HD22 H 1 0.977 0.05 . 1 . . . . . 95 LEU MD2 . 28016 1 950 . 1 . 1 95 95 LEU HD23 H 1 0.977 0.05 . 1 . . . . . 95 LEU MD2 . 28016 1 951 . 1 . 1 95 95 LEU C C 13 175.951 0.10 . 1 . . . . . 95 LEU C . 28016 1 952 . 1 . 1 95 95 LEU CA C 13 54.055 0.015 . 1 . . . . . 95 LEU CA . 28016 1 953 . 1 . 1 95 95 LEU CB C 13 44.494 0.015 . 1 . . . . . 95 LEU CB . 28016 1 954 . 1 . 1 95 95 LEU CG C 13 26.462 0.015 . 1 . . . . . 95 LEU CG . 28016 1 955 . 1 . 1 95 95 LEU CD1 C 13 26.462 0.015 . 1 . . . . . 95 LEU CD1 . 28016 1 956 . 1 . 1 95 95 LEU CD2 C 13 26.462 0.015 . 1 . . . . . 95 LEU CD2 . 28016 1 957 . 1 . 1 95 95 LEU N N 15 120.501 0.05 . 1 . . . . . 95 LEU N . 28016 1 958 . 1 . 1 96 96 GLU H H 1 9.236 0.05 . 1 . . . . . 96 GLU H . 28016 1 959 . 1 . 1 96 96 GLU HA H 1 4.295 0.05 . 1 . . . . . 96 GLU HA . 28016 1 960 . 1 . 1 96 96 GLU HB2 H 1 1.939 0.05 . 1 . . . . . 96 GLU HB2 . 28016 1 961 . 1 . 1 96 96 GLU HB3 H 1 1.939 0.05 . 1 . . . . . 96 GLU HB3 . 28016 1 962 . 1 . 1 96 96 GLU HG2 H 1 2.160 0.05 . 1 . . . . . 96 GLU HG2 . 28016 1 963 . 1 . 1 96 96 GLU HG3 H 1 2.160 0.05 . 1 . . . . . 96 GLU HG3 . 28016 1 964 . 1 . 1 96 96 GLU C C 13 175.898 0.10 . 1 . . . . . 96 GLU C . 28016 1 965 . 1 . 1 96 96 GLU CA C 13 57.255 0.015 . 1 . . . . . 96 GLU CA . 28016 1 966 . 1 . 1 96 96 GLU CB C 13 32.395 0.015 . 1 . . . . . 96 GLU CB . 28016 1 967 . 1 . 1 96 96 GLU CG C 13 36.171 0.015 . 1 . . . . . 96 GLU CG . 28016 1 968 . 1 . 1 96 96 GLU N N 15 121.003 0.05 . 1 . . . . . 96 GLU N . 28016 1 969 . 1 . 1 97 97 LYS H H 1 7.357 0.05 . 1 . . . . . 97 LYS H . 28016 1 970 . 1 . 1 97 97 LYS HA H 1 4.782 0.05 . 1 . . . . . 97 LYS HA . 28016 1 971 . 1 . 1 97 97 LYS HB2 H 1 1.485 0.05 . 1 . . . . . 97 LYS HB2 . 28016 1 972 . 1 . 1 97 97 LYS HB3 H 1 1.485 0.05 . 1 . . . . . 97 LYS HB3 . 28016 1 973 . 1 . 1 97 97 LYS HG2 H 1 1.275 0.05 . 1 . . . . . 97 LYS HG2 . 28016 1 974 . 1 . 1 97 97 LYS HG3 H 1 1.275 0.05 . 1 . . . . . 97 LYS HG3 . 28016 1 975 . 1 . 1 97 97 LYS HD2 H 1 1.275 0.05 . 1 . . . . . 97 LYS HD2 . 28016 1 976 . 1 . 1 97 97 LYS HD3 H 1 1.275 0.05 . 1 . . . . . 97 LYS HD3 . 28016 1 977 . 1 . 1 97 97 LYS C C 13 174.493 0.10 . 1 . . . . . 97 LYS C . 28016 1 978 . 1 . 1 97 97 LYS CA C 13 56.152 0.015 . 1 . . . . . 97 LYS CA . 28016 1 979 . 1 . 1 97 97 LYS CB C 13 34.773 0.015 . 1 . . . . . 97 LYS CB . 28016 1 980 . 1 . 1 97 97 LYS CG C 13 23.968 0.015 . 1 . . . . . 97 LYS CG . 28016 1 981 . 1 . 1 97 97 LYS CD C 13 29.827 0.015 . 1 . . . . . 97 LYS CD . 28016 1 982 . 1 . 1 97 97 LYS CE C 13 41.490 0.015 . 1 . . . . . 97 LYS CE . 28016 1 983 . 1 . 1 97 97 LYS N N 15 110.968 0.05 . 1 . . . . . 97 LYS N . 28016 1 984 . 1 . 1 98 98 ILE H H 1 7.816 0.05 . 1 . . . . . 98 ILE H . 28016 1 985 . 1 . 1 98 98 ILE HA H 1 5.076 0.05 . 1 . . . . . 98 ILE HA . 28016 1 986 . 1 . 1 98 98 ILE HB H 1 1.673 0.05 . 1 . . . . . 98 ILE HB . 28016 1 987 . 1 . 1 98 98 ILE HG21 H 1 0.010 0.05 . 1 . . . . . 98 ILE MG . 28016 1 988 . 1 . 1 98 98 ILE HG22 H 1 0.010 0.05 . 1 . . . . . 98 ILE MG . 28016 1 989 . 1 . 1 98 98 ILE HG23 H 1 0.010 0.05 . 1 . . . . . 98 ILE MG . 28016 1 990 . 1 . 1 98 98 ILE HD11 H 1 0.010 0.05 . 1 . . . . . 98 ILE MD . 28016 1 991 . 1 . 1 98 98 ILE HD12 H 1 0.010 0.05 . 1 . . . . . 98 ILE MD . 28016 1 992 . 1 . 1 98 98 ILE HD13 H 1 0.010 0.05 . 1 . . . . . 98 ILE MD . 28016 1 993 . 1 . 1 98 98 ILE C C 13 174.660 0.10 . 1 . . . . . 98 ILE C . 28016 1 994 . 1 . 1 98 98 ILE CA C 13 59.027 0.015 . 1 . . . . . 98 ILE CA . 28016 1 995 . 1 . 1 98 98 ILE CB C 13 42.327 0.015 . 1 . . . . . 98 ILE CB . 28016 1 996 . 1 . 1 98 98 ILE CG2 C 13 16.960 0.015 . 1 . . . . . 98 ILE CG2 . 28016 1 997 . 1 . 1 98 98 ILE CD1 C 13 16.960 0.015 . 1 . . . . . 98 ILE CD1 . 28016 1 998 . 1 . 1 98 98 ILE N N 15 117.721 0.05 . 1 . . . . . 98 ILE N . 28016 1 999 . 1 . 1 99 99 PRO HA H 1 4.868 0.05 . 1 . . . . . 99 PRO HA . 28016 1 1000 . 1 . 1 99 99 PRO HB2 H 1 1.904 0.05 . 1 . . . . . 99 PRO HB2 . 28016 1 1001 . 1 . 1 99 99 PRO HB3 H 1 1.904 0.05 . 1 . . . . . 99 PRO HB3 . 28016 1 1002 . 1 . 1 99 99 PRO HG2 H 1 1.953 0.05 . 1 . . . . . 99 PRO HG2 . 28016 1 1003 . 1 . 1 99 99 PRO HG3 H 1 1.953 0.05 . 1 . . . . . 99 PRO HG3 . 28016 1 1004 . 1 . 1 99 99 PRO C C 13 175.513 0.10 . 1 . . . . . 99 PRO C . 28016 1 1005 . 1 . 1 99 99 PRO CA C 13 62.240 0.015 . 1 . . . . . 99 PRO CA . 28016 1 1006 . 1 . 1 99 99 PRO CB C 13 33.419 0.015 . 1 . . . . . 99 PRO CB . 28016 1 1007 . 1 . 1 99 99 PRO CG C 13 27.401 0.015 . 1 . . . . . 99 PRO CG . 28016 1 1008 . 1 . 1 99 99 PRO CD C 13 51.774 0.015 . 1 . . . . . 99 PRO CD . 28016 1 1009 . 1 . 1 100 100 TYR H H 1 9.332 0.05 . 1 . . . . . 100 TYR H . 28016 1 1010 . 1 . 1 100 100 TYR HA H 1 5.052 0.05 . 1 . . . . . 100 TYR HA . 28016 1 1011 . 1 . 1 100 100 TYR HB2 H 1 1.719 0.05 . 2 . . . . . 100 TYR HB2 . 28016 1 1012 . 1 . 1 100 100 TYR HB3 H 1 2.212 0.05 . 2 . . . . . 100 TYR HB3 . 28016 1 1013 . 1 . 1 100 100 TYR C C 13 176.505 0.10 . 1 . . . . . 100 TYR C . 28016 1 1014 . 1 . 1 100 100 TYR CA C 13 57.777 0.015 . 1 . . . . . 100 TYR CA . 28016 1 1015 . 1 . 1 100 100 TYR CB C 13 43.866 0.015 . 1 . . . . . 100 TYR CB . 28016 1 1016 . 1 . 1 100 100 TYR N N 15 123.425 0.05 . 1 . . . . . 100 TYR N . 28016 1 1017 . 1 . 1 101 101 GLU H H 1 8.871 0.05 . 1 . . . . . 101 GLU H . 28016 1 1018 . 1 . 1 101 101 GLU HA H 1 5.130 0.05 . 1 . . . . . 101 GLU HA . 28016 1 1019 . 1 . 1 101 101 GLU HB2 H 1 2.050 0.05 . 1 . . . . . 101 GLU HB2 . 28016 1 1020 . 1 . 1 101 101 GLU HB3 H 1 2.050 0.05 . 1 . . . . . 101 GLU HB3 . 28016 1 1021 . 1 . 1 101 101 GLU HG2 H 1 2.242 0.05 . 1 . . . . . 101 GLU HG2 . 28016 1 1022 . 1 . 1 101 101 GLU HG3 H 1 2.242 0.05 . 1 . . . . . 101 GLU HG3 . 28016 1 1023 . 1 . 1 101 101 GLU C C 13 174.733 0.10 . 1 . . . . . 101 GLU C . 28016 1 1024 . 1 . 1 101 101 GLU CA C 13 55.315 0.015 . 1 . . . . . 101 GLU CA . 28016 1 1025 . 1 . 1 101 101 GLU CB C 13 33.356 0.015 . 1 . . . . . 101 GLU CB . 28016 1 1026 . 1 . 1 101 101 GLU CG C 13 37.116 0.015 . 1 . . . . . 101 GLU CG . 28016 1 1027 . 1 . 1 101 101 GLU N N 15 121.021 0.05 . 1 . . . . . 101 GLU N . 28016 1 1028 . 1 . 1 102 102 ILE H H 1 9.623 0.05 . 1 . . . . . 102 ILE H . 28016 1 1029 . 1 . 1 102 102 ILE HA H 1 4.980 0.05 . 1 . . . . . 102 ILE HA . 28016 1 1030 . 1 . 1 102 102 ILE HB H 1 2.343 0.05 . 1 . . . . . 102 ILE HB . 28016 1 1031 . 1 . 1 102 102 ILE HG12 H 1 1.386 0.05 . 2 . . . . . 102 ILE HG12 . 28016 1 1032 . 1 . 1 102 102 ILE HG13 H 1 1.861 0.05 . 2 . . . . . 102 ILE HG13 . 28016 1 1033 . 1 . 1 102 102 ILE HG21 H 1 1.020 0.05 . 1 . . . . . 102 ILE MG . 28016 1 1034 . 1 . 1 102 102 ILE HG22 H 1 1.020 0.05 . 1 . . . . . 102 ILE MG . 28016 1 1035 . 1 . 1 102 102 ILE HG23 H 1 1.020 0.05 . 1 . . . . . 102 ILE MG . 28016 1 1036 . 1 . 1 102 102 ILE HD11 H 1 1.146 0.05 . 1 . . . . . 102 ILE MD . 28016 1 1037 . 1 . 1 102 102 ILE HD12 H 1 1.146 0.05 . 1 . . . . . 102 ILE MD . 28016 1 1038 . 1 . 1 102 102 ILE HD13 H 1 1.146 0.05 . 1 . . . . . 102 ILE MD . 28016 1 1039 . 1 . 1 102 102 ILE C C 13 174.184 0.10 . 1 . . . . . 102 ILE C . 28016 1 1040 . 1 . 1 102 102 ILE CA C 13 60.667 0.015 . 1 . . . . . 102 ILE CA . 28016 1 1041 . 1 . 1 102 102 ILE CB C 13 40.382 0.015 . 1 . . . . . 102 ILE CB . 28016 1 1042 . 1 . 1 102 102 ILE CG1 C 13 28.454 0.015 . 1 . . . . . 102 ILE CG1 . 28016 1 1043 . 1 . 1 102 102 ILE CG2 C 13 17.477 0.015 . 1 . . . . . 102 ILE CG2 . 28016 1 1044 . 1 . 1 102 102 ILE CD1 C 13 14.009 0.015 . 1 . . . . . 102 ILE CD1 . 28016 1 1045 . 1 . 1 102 102 ILE N N 15 127.361 0.05 . 1 . . . . . 102 ILE N . 28016 1 1046 . 1 . 1 103 103 LYS H H 1 9.050 0.05 . 1 . . . . . 103 LYS H . 28016 1 1047 . 1 . 1 103 103 LYS HA H 1 5.606 0.05 . 1 . . . . . 103 LYS HA . 28016 1 1048 . 1 . 1 103 103 LYS HB2 H 1 2.011 0.05 . 2 . . . . . 103 LYS HB2 . 28016 1 1049 . 1 . 1 103 103 LYS HB3 H 1 1.830 0.05 . 2 . . . . . 103 LYS HB3 . 28016 1 1050 . 1 . 1 103 103 LYS HG2 H 1 1.424 0.05 . 1 . . . . . 103 LYS HG2 . 28016 1 1051 . 1 . 1 103 103 LYS HG3 H 1 1.424 0.05 . 1 . . . . . 103 LYS HG3 . 28016 1 1052 . 1 . 1 103 103 LYS HD2 H 1 1.590 0.05 . 1 . . . . . 103 LYS HD2 . 28016 1 1053 . 1 . 1 103 103 LYS HD3 H 1 1.590 0.05 . 1 . . . . . 103 LYS HD3 . 28016 1 1054 . 1 . 1 103 103 LYS HE2 H 1 2.986 0.05 . 1 . . . . . 103 LYS HE2 . 28016 1 1055 . 1 . 1 103 103 LYS HE3 H 1 2.986 0.05 . 1 . . . . . 103 LYS HE3 . 28016 1 1056 . 1 . 1 103 103 LYS C C 13 175.735 0.10 . 1 . . . . . 103 LYS C . 28016 1 1057 . 1 . 1 103 103 LYS CA C 13 54.500 0.015 . 1 . . . . . 103 LYS CA . 28016 1 1058 . 1 . 1 103 103 LYS CB C 13 36.387 0.015 . 1 . . . . . 103 LYS CB . 28016 1 1059 . 1 . 1 103 103 LYS CG C 13 25.483 0.015 . 1 . . . . . 103 LYS CG . 28016 1 1060 . 1 . 1 103 103 LYS CD C 13 29.204 0.015 . 1 . . . . . 103 LYS CD . 28016 1 1061 . 1 . 1 103 103 LYS CE C 13 42.205 0.015 . 1 . . . . . 103 LYS CE . 28016 1 1062 . 1 . 1 103 103 LYS N N 15 127.263 0.05 . 1 . . . . . 103 LYS N . 28016 1 1063 . 1 . 1 104 104 MET H H 1 8.683 0.05 . 1 . . . . . 104 MET H . 28016 1 1064 . 1 . 1 104 104 MET HA H 1 5.537 0.05 . 1 . . . . . 104 MET HA . 28016 1 1065 . 1 . 1 104 104 MET HB2 H 1 1.898 0.05 . 1 . . . . . 104 MET HB2 . 28016 1 1066 . 1 . 1 104 104 MET HB3 H 1 1.898 0.05 . 1 . . . . . 104 MET HB3 . 28016 1 1067 . 1 . 1 104 104 MET HG2 H 1 2.703 0.05 . 2 . . . . . 104 MET HG2 . 28016 1 1068 . 1 . 1 104 104 MET HG3 H 1 2.504 0.05 . 2 . . . . . 104 MET HG3 . 28016 1 1069 . 1 . 1 104 104 MET C C 13 173.954 0.10 . 1 . . . . . 104 MET C . 28016 1 1070 . 1 . 1 104 104 MET CA C 13 54.136 0.015 . 1 . . . . . 104 MET CA . 28016 1 1071 . 1 . 1 104 104 MET CB C 13 35.277 0.015 . 1 . . . . . 104 MET CB . 28016 1 1072 . 1 . 1 104 104 MET CG C 13 33.459 0.015 . 1 . . . . . 104 MET CG . 28016 1 1073 . 1 . 1 104 104 MET N N 15 122.801 0.05 . 1 . . . . . 104 MET N . 28016 1 1074 . 1 . 1 105 105 ALA H H 1 8.619 0.05 . 1 . . . . . 105 ALA H . 28016 1 1075 . 1 . 1 105 105 ALA HA H 1 4.706 0.05 . 1 . . . . . 105 ALA HA . 28016 1 1076 . 1 . 1 105 105 ALA HB1 H 1 1.392 0.05 . 1 . . . . . 105 ALA MB . 28016 1 1077 . 1 . 1 105 105 ALA HB2 H 1 1.392 0.05 . 1 . . . . . 105 ALA MB . 28016 1 1078 . 1 . 1 105 105 ALA HB3 H 1 1.392 0.05 . 1 . . . . . 105 ALA MB . 28016 1 1079 . 1 . 1 105 105 ALA C C 13 176.062 0.10 . 1 . . . . . 105 ALA C . 28016 1 1080 . 1 . 1 105 105 ALA CA C 13 50.422 0.015 . 1 . . . . . 105 ALA CA . 28016 1 1081 . 1 . 1 105 105 ALA CB C 13 22.848 0.015 . 1 . . . . . 105 ALA CB . 28016 1 1082 . 1 . 1 105 105 ALA N N 15 121.492 0.05 . 1 . . . . . 105 ALA N . 28016 1 1083 . 1 . 1 106 106 ALA H H 1 8.873 0.05 . 1 . . . . . 106 ALA H . 28016 1 1084 . 1 . 1 106 106 ALA HA H 1 4.273 0.05 . 1 . . . . . 106 ALA HA . 28016 1 1085 . 1 . 1 106 106 ALA HB1 H 1 1.412 0.05 . 1 . . . . . 106 ALA MB . 28016 1 1086 . 1 . 1 106 106 ALA HB2 H 1 1.412 0.05 . 1 . . . . . 106 ALA MB . 28016 1 1087 . 1 . 1 106 106 ALA HB3 H 1 1.412 0.05 . 1 . . . . . 106 ALA MB . 28016 1 1088 . 1 . 1 106 106 ALA C C 13 177.340 0.10 . 1 . . . . . 106 ALA C . 28016 1 1089 . 1 . 1 106 106 ALA CA C 13 52.465 0.015 . 1 . . . . . 106 ALA CA . 28016 1 1090 . 1 . 1 106 106 ALA CB C 13 18.412 0.015 . 1 . . . . . 106 ALA CB . 28016 1 1091 . 1 . 1 106 106 ALA N N 15 123.161 0.05 . 1 . . . . . 106 ALA N . 28016 1 1092 . 1 . 1 107 107 ALA H H 1 7.978 0.05 . 1 . . . . . 107 ALA H . 28016 1 1093 . 1 . 1 107 107 ALA HA H 1 4.307 0.05 . 1 . . . . . 107 ALA HA . 28016 1 1094 . 1 . 1 107 107 ALA HB1 H 1 1.170 0.05 . 1 . . . . . 107 ALA MB . 28016 1 1095 . 1 . 1 107 107 ALA HB2 H 1 1.170 0.05 . 1 . . . . . 107 ALA MB . 28016 1 1096 . 1 . 1 107 107 ALA HB3 H 1 1.170 0.05 . 1 . . . . . 107 ALA MB . 28016 1 1097 . 1 . 1 107 107 ALA C C 13 176.418 0.10 . 1 . . . . . 107 ALA C . 28016 1 1098 . 1 . 1 107 107 ALA CA C 13 50.279 0.015 . 1 . . . . . 107 ALA CA . 28016 1 1099 . 1 . 1 107 107 ALA CB C 13 18.232 0.015 . 1 . . . . . 107 ALA CB . 28016 1 1100 . 1 . 1 107 107 ALA N N 15 126.074 0.05 . 1 . . . . . 107 ALA N . 28016 1 1101 . 1 . 1 108 108 PRO HA H 1 4.232 0.05 . 1 . . . . . 108 PRO HA . 28016 1 1102 . 1 . 1 108 108 PRO HB2 H 1 1.725 0.05 . 2 . . . . . 108 PRO HB2 . 28016 1 1103 . 1 . 1 108 108 PRO HB3 H 1 2.226 0.05 . 2 . . . . . 108 PRO HB3 . 28016 1 1104 . 1 . 1 108 108 PRO HG2 H 1 2.044 0.05 . 1 . . . . . 108 PRO HG2 . 28016 1 1105 . 1 . 1 108 108 PRO HG3 H 1 2.044 0.05 . 1 . . . . . 108 PRO HG3 . 28016 1 1106 . 1 . 1 108 108 PRO HD2 H 1 3.771 0.05 . 1 . . . . . 108 PRO HD2 . 28016 1 1107 . 1 . 1 108 108 PRO HD3 H 1 3.771 0.05 . 1 . . . . . 108 PRO HD3 . 28016 1 1108 . 1 . 1 108 108 PRO C C 13 176.230 0.10 . 1 . . . . . 108 PRO C . 28016 1 1109 . 1 . 1 108 108 PRO CA C 13 64.503 0.015 . 1 . . . . . 108 PRO CA . 28016 1 1110 . 1 . 1 108 108 PRO CB C 13 31.766 0.015 . 1 . . . . . 108 PRO CB . 28016 1 1111 . 1 . 1 108 108 PRO CG C 13 27.411 0.015 . 1 . . . . . 108 PRO CG . 28016 1 1112 . 1 . 1 108 108 PRO CD C 13 50.403 0.015 . 1 . . . . . 108 PRO CD . 28016 1 1113 . 1 . 1 109 109 HIS H H 1 7.530 0.05 . 1 . . . . . 109 HIS H . 28016 1 1114 . 1 . 1 109 109 HIS HA H 1 4.779 0.05 . 1 . . . . . 109 HIS HA . 28016 1 1115 . 1 . 1 109 109 HIS HB2 H 1 3.082 0.05 . 1 . . . . . 109 HIS HB2 . 28016 1 1116 . 1 . 1 109 109 HIS HB3 H 1 3.082 0.05 . 1 . . . . . 109 HIS HB3 . 28016 1 1117 . 1 . 1 109 109 HIS HD2 H 1 6.998 0.005 . 1 . . . . . 109 HIS HD2 . 28016 1 1118 . 1 . 1 109 109 HIS C C 13 175.670 0.10 . 1 . . . . . 109 HIS C . 28016 1 1119 . 1 . 1 109 109 HIS CA C 13 55.364 0.015 . 1 . . . . . 109 HIS CA . 28016 1 1120 . 1 . 1 109 109 HIS CB C 13 32.103 0.015 . 1 . . . . . 109 HIS CB . 28016 1 1121 . 1 . 1 109 109 HIS CD2 C 13 120.229 0.015 . 1 . . . . . 109 HIS CD2 . 28016 1 1122 . 1 . 1 109 109 HIS N N 15 113.062 0.05 . 1 . . . . . 109 HIS N . 28016 1 1123 . 1 . 1 109 109 HIS ND1 N 15 210.674 0.05 . 1 . . . . . 109 HIS ND1 . 28016 1 1124 . 1 . 1 109 109 HIS NE2 N 15 170.724 0.05 . 1 . . . . . 109 HIS NE2 . 28016 1 1125 . 1 . 1 110 110 GLY HA2 H 1 4.218 0.05 . 2 . . . . . 110 GLY HA2 . 28016 1 1126 . 1 . 1 110 110 GLY HA3 H 1 3.774 0.05 . 2 . . . . . 110 GLY HA3 . 28016 1 1127 . 1 . 1 110 110 GLY C C 13 175.305 0.10 . 1 . . . . . 110 GLY C . 28016 1 1128 . 1 . 1 110 110 GLY CA C 13 45.706 0.015 . 1 . . . . . 110 GLY CA . 28016 1 1129 . 1 . 1 111 111 GLY H H 1 8.381 0.05 . 1 . . . . . 111 GLY H . 28016 1 1130 . 1 . 1 111 111 GLY HA2 H 1 4.002 0.05 . 1 . . . . . 111 GLY HA2 . 28016 1 1131 . 1 . 1 111 111 GLY HA3 H 1 4.002 0.05 . 1 . . . . . 111 GLY HA3 . 28016 1 1132 . 1 . 1 111 111 GLY C C 13 174.072 0.10 . 1 . . . . . 111 GLY C . 28016 1 1133 . 1 . 1 111 111 GLY CA C 13 45.939 0.015 . 1 . . . . . 111 GLY CA . 28016 1 1134 . 1 . 1 111 111 GLY N N 15 108.137 0.05 . 1 . . . . . 111 GLY N . 28016 1 1135 . 1 . 1 112 112 GLY H H 1 8.070 0.05 . 1 . . . . . 112 GLY H . 28016 1 1136 . 1 . 1 112 112 GLY HA2 H 1 4.161 0.05 . 2 . . . . . 112 GLY HA2 . 28016 1 1137 . 1 . 1 112 112 GLY HA3 H 1 3.782 0.05 . 2 . . . . . 112 GLY HA3 . 28016 1 1138 . 1 . 1 112 112 GLY C C 13 174.946 0.10 . 1 . . . . . 112 GLY C . 28016 1 1139 . 1 . 1 112 112 GLY CA C 13 44.184 0.015 . 1 . . . . . 112 GLY CA . 28016 1 1140 . 1 . 1 112 112 GLY N N 15 107.144 0.05 . 1 . . . . . 112 GLY N . 28016 1 1141 . 1 . 1 113 113 SER H H 1 8.967 0.05 . 1 . . . . . 113 SER H . 28016 1 1142 . 1 . 1 113 113 SER HA H 1 5.466 0.05 . 1 . . . . . 113 SER HA . 28016 1 1143 . 1 . 1 113 113 SER HB2 H 1 3.460 0.05 . 1 . . . . . 113 SER HB2 . 28016 1 1144 . 1 . 1 113 113 SER HB3 H 1 3.460 0.05 . 1 . . . . . 113 SER HB3 . 28016 1 1145 . 1 . 1 113 113 SER C C 13 173.781 0.10 . 1 . . . . . 113 SER C . 28016 1 1146 . 1 . 1 113 113 SER CA C 13 58.708 0.015 . 1 . . . . . 113 SER CA . 28016 1 1147 . 1 . 1 113 113 SER CB C 13 68.016 0.015 . 1 . . . . . 113 SER CB . 28016 1 1148 . 1 . 1 113 113 SER N N 15 118.002 0.05 . 1 . . . . . 113 SER N . 28016 1 1149 . 1 . 1 114 114 ILE H H 1 9.070 0.05 . 1 . . . . . 114 ILE H . 28016 1 1150 . 1 . 1 114 114 ILE HA H 1 4.552 0.05 . 1 . . . . . 114 ILE HA . 28016 1 1151 . 1 . 1 114 114 ILE HB H 1 1.707 0.05 . 1 . . . . . 114 ILE HB . 28016 1 1152 . 1 . 1 114 114 ILE HG12 H 1 1.521 0.05 . 2 . . . . . 114 ILE HG12 . 28016 1 1153 . 1 . 1 114 114 ILE HG13 H 1 1.123 0.05 . 2 . . . . . 114 ILE HG13 . 28016 1 1154 . 1 . 1 114 114 ILE HG21 H 1 0.810 0.05 . 1 . . . . . 114 ILE MG . 28016 1 1155 . 1 . 1 114 114 ILE HG22 H 1 0.810 0.05 . 1 . . . . . 114 ILE MG . 28016 1 1156 . 1 . 1 114 114 ILE HG23 H 1 0.810 0.05 . 1 . . . . . 114 ILE MG . 28016 1 1157 . 1 . 1 114 114 ILE HD11 H 1 0.884 0.05 . 1 . . . . . 114 ILE MD . 28016 1 1158 . 1 . 1 114 114 ILE HD12 H 1 0.884 0.05 . 1 . . . . . 114 ILE MD . 28016 1 1159 . 1 . 1 114 114 ILE HD13 H 1 0.884 0.05 . 1 . . . . . 114 ILE MD . 28016 1 1160 . 1 . 1 114 114 ILE C C 13 174.738 0.10 . 1 . . . . . 114 ILE C . 28016 1 1161 . 1 . 1 114 114 ILE CA C 13 60.594 0.015 . 1 . . . . . 114 ILE CA . 28016 1 1162 . 1 . 1 114 114 ILE CB C 13 39.984 0.015 . 1 . . . . . 114 ILE CB . 28016 1 1163 . 1 . 1 114 114 ILE CG1 C 13 27.354 0.015 . 1 . . . . . 114 ILE CG1 . 28016 1 1164 . 1 . 1 114 114 ILE CG2 C 13 17.646 0.015 . 1 . . . . . 114 ILE CG2 . 28016 1 1165 . 1 . 1 114 114 ILE CD1 C 13 12.900 0.015 . 1 . . . . . 114 ILE CD1 . 28016 1 1166 . 1 . 1 114 114 ILE N N 15 122.139 0.05 . 1 . . . . . 114 ILE N . 28016 1 1167 . 1 . 1 115 115 LEU H H 1 9.137 0.05 . 1 . . . . . 115 LEU H . 28016 1 1168 . 1 . 1 115 115 LEU HA H 1 5.048 0.05 . 1 . . . . . 115 LEU HA . 28016 1 1169 . 1 . 1 115 115 LEU HB2 H 1 1.289 0.05 . 1 . . . . . 115 LEU HB2 . 28016 1 1170 . 1 . 1 115 115 LEU HB3 H 1 1.289 0.05 . 1 . . . . . 115 LEU HB3 . 28016 1 1171 . 1 . 1 115 115 LEU HG H 1 1.254 0.05 . 1 . . . . . 115 LEU HG . 28016 1 1172 . 1 . 1 115 115 LEU HD11 H 1 0.482 0.05 . 2 . . . . . 115 LEU MD1 . 28016 1 1173 . 1 . 1 115 115 LEU HD12 H 1 0.482 0.05 . 2 . . . . . 115 LEU MD1 . 28016 1 1174 . 1 . 1 115 115 LEU HD13 H 1 0.482 0.05 . 2 . . . . . 115 LEU MD1 . 28016 1 1175 . 1 . 1 115 115 LEU HD21 H 1 0.227 0.05 . 2 . . . . . 115 LEU MD2 . 28016 1 1176 . 1 . 1 115 115 LEU HD22 H 1 0.227 0.05 . 2 . . . . . 115 LEU MD2 . 28016 1 1177 . 1 . 1 115 115 LEU HD23 H 1 0.227 0.05 . 2 . . . . . 115 LEU MD2 . 28016 1 1178 . 1 . 1 115 115 LEU C C 13 174.553 0.10 . 1 . . . . . 115 LEU C . 28016 1 1179 . 1 . 1 115 115 LEU CA C 13 54.312 0.015 . 1 . . . . . 115 LEU CA . 28016 1 1180 . 1 . 1 115 115 LEU CB C 13 44.219 0.015 . 1 . . . . . 115 LEU CB . 28016 1 1181 . 1 . 1 115 115 LEU CG C 13 28.161 0.015 . 1 . . . . . 115 LEU CG . 28016 1 1182 . 1 . 1 115 115 LEU CD1 C 13 24.885 0.015 . 1 . . . . . 115 LEU CD1 . 28016 1 1183 . 1 . 1 115 115 LEU CD2 C 13 24.885 0.015 . 1 . . . . . 115 LEU CD2 . 28016 1 1184 . 1 . 1 115 115 LEU N N 15 128.432 0.05 . 1 . . . . . 115 LEU N . 28016 1 1185 . 1 . 1 116 116 LYS H H 1 8.980 0.05 . 1 . . . . . 116 LYS H . 28016 1 1186 . 1 . 1 116 116 LYS HA H 1 5.081 0.05 . 1 . . . . . 116 LYS HA . 28016 1 1187 . 1 . 1 116 116 LYS HB2 H 1 1.787 0.05 . 1 . . . . . 116 LYS HB2 . 28016 1 1188 . 1 . 1 116 116 LYS HB3 H 1 1.787 0.05 . 1 . . . . . 116 LYS HB3 . 28016 1 1189 . 1 . 1 116 116 LYS HG2 H 1 1.382 0.05 . 1 . . . . . 116 LYS HG2 . 28016 1 1190 . 1 . 1 116 116 LYS HG3 H 1 1.382 0.05 . 1 . . . . . 116 LYS HG3 . 28016 1 1191 . 1 . 1 116 116 LYS HD2 H 1 1.595 0.05 . 1 . . . . . 116 LYS HD2 . 28016 1 1192 . 1 . 1 116 116 LYS HD3 H 1 1.595 0.05 . 1 . . . . . 116 LYS HD3 . 28016 1 1193 . 1 . 1 116 116 LYS HE2 H 1 2.823 0.05 . 1 . . . . . 116 LYS HE2 . 28016 1 1194 . 1 . 1 116 116 LYS HE3 H 1 2.823 0.05 . 1 . . . . . 116 LYS HE3 . 28016 1 1195 . 1 . 1 116 116 LYS C C 13 175.404 0.10 . 1 . . . . . 116 LYS C . 28016 1 1196 . 1 . 1 116 116 LYS CA C 13 55.135 0.015 . 1 . . . . . 116 LYS CA . 28016 1 1197 . 1 . 1 116 116 LYS CB C 13 34.906 0.015 . 1 . . . . . 116 LYS CB . 28016 1 1198 . 1 . 1 116 116 LYS CG C 13 24.953 0.015 . 1 . . . . . 116 LYS CG . 28016 1 1199 . 1 . 1 116 116 LYS CD C 13 29.145 0.015 . 1 . . . . . 116 LYS CD . 28016 1 1200 . 1 . 1 116 116 LYS CE C 13 41.953 0.015 . 1 . . . . . 116 LYS CE . 28016 1 1201 . 1 . 1 116 116 LYS N N 15 124.309 0.05 . 1 . . . . . 116 LYS N . 28016 1 1202 . 1 . 1 117 117 ILE H H 1 8.920 0.05 . 1 . . . . . 117 ILE H . 28016 1 1203 . 1 . 1 117 117 ILE HA H 1 5.192 0.05 . 1 . . . . . 117 ILE HA . 28016 1 1204 . 1 . 1 117 117 ILE HB H 1 1.871 0.05 . 1 . . . . . 117 ILE HB . 28016 1 1205 . 1 . 1 117 117 ILE HG21 H 1 1.055 0.05 . 1 . . . . . 117 ILE MG . 28016 1 1206 . 1 . 1 117 117 ILE HG22 H 1 1.055 0.05 . 1 . . . . . 117 ILE MG . 28016 1 1207 . 1 . 1 117 117 ILE HG23 H 1 1.055 0.05 . 1 . . . . . 117 ILE MG . 28016 1 1208 . 1 . 1 117 117 ILE HD11 H 1 0.841 0.05 . 1 . . . . . 117 ILE MD . 28016 1 1209 . 1 . 1 117 117 ILE HD12 H 1 0.841 0.05 . 1 . . . . . 117 ILE MD . 28016 1 1210 . 1 . 1 117 117 ILE HD13 H 1 0.841 0.05 . 1 . . . . . 117 ILE MD . 28016 1 1211 . 1 . 1 117 117 ILE C C 13 176.331 0.10 . 1 . . . . . 117 ILE C . 28016 1 1212 . 1 . 1 117 117 ILE CA C 13 60.646 0.015 . 1 . . . . . 117 ILE CA . 28016 1 1213 . 1 . 1 117 117 ILE CB C 13 40.806 0.015 . 1 . . . . . 117 ILE CB . 28016 1 1214 . 1 . 1 117 117 ILE CG1 C 13 28.363 0.015 . 1 . . . . . 117 ILE CG1 . 28016 1 1215 . 1 . 1 117 117 ILE CG2 C 13 17.632 0.015 . 1 . . . . . 117 ILE CG2 . 28016 1 1216 . 1 . 1 117 117 ILE CD1 C 13 13.717 0.015 . 1 . . . . . 117 ILE CD1 . 28016 1 1217 . 1 . 1 117 117 ILE N N 15 126.520 0.05 . 1 . . . . . 117 ILE N . 28016 1 1218 . 1 . 1 118 118 THR H H 1 9.537 0.05 . 1 . . . . . 118 THR H . 28016 1 1219 . 1 . 1 118 118 THR HA H 1 5.344 0.05 . 1 . . . . . 118 THR HA . 28016 1 1220 . 1 . 1 118 118 THR HB H 1 4.113 0.05 . 1 . . . . . 118 THR HB . 28016 1 1221 . 1 . 1 118 118 THR HG21 H 1 1.170 0.05 . 1 . . . . . 118 THR MG . 28016 1 1222 . 1 . 1 118 118 THR HG22 H 1 1.170 0.05 . 1 . . . . . 118 THR MG . 28016 1 1223 . 1 . 1 118 118 THR HG23 H 1 1.170 0.05 . 1 . . . . . 118 THR MG . 28016 1 1224 . 1 . 1 118 118 THR C C 13 173.497 0.10 . 1 . . . . . 118 THR C . 28016 1 1225 . 1 . 1 118 118 THR CA C 13 61.672 0.015 . 1 . . . . . 118 THR CA . 28016 1 1226 . 1 . 1 118 118 THR CB C 13 70.295 0.015 . 1 . . . . . 118 THR CB . 28016 1 1227 . 1 . 1 118 118 THR CG2 C 13 21.419 0.015 . 1 . . . . . 118 THR CG2 . 28016 1 1228 . 1 . 1 118 118 THR N N 15 127.230 0.05 . 1 . . . . . 118 THR N . 28016 1 1229 . 1 . 1 119 119 SER H H 1 9.200 0.05 . 1 . . . . . 119 SER H . 28016 1 1230 . 1 . 1 119 119 SER HA H 1 4.854 0.05 . 1 . . . . . 119 SER HA . 28016 1 1231 . 1 . 1 119 119 SER C C 13 172.786 0.10 . 1 . . . . . 119 SER C . 28016 1 1232 . 1 . 1 119 119 SER CA C 13 55.720 0.015 . 1 . . . . . 119 SER CA . 28016 1 1233 . 1 . 1 119 119 SER CB C 13 65.378 0.015 . 1 . . . . . 119 SER CB . 28016 1 1234 . 1 . 1 119 119 SER N N 15 121.358 0.05 . 1 . . . . . 119 SER N . 28016 1 1235 . 1 . 1 120 120 LYS H H 1 7.968 0.05 . 1 . . . . . 120 LYS H . 28016 1 1236 . 1 . 1 120 120 LYS HA H 1 5.254 0.05 . 1 . . . . . 120 LYS HA . 28016 1 1237 . 1 . 1 120 120 LYS HB2 H 1 1.492 0.05 . 1 . . . . . 120 LYS HB2 . 28016 1 1238 . 1 . 1 120 120 LYS HB3 H 1 1.492 0.05 . 1 . . . . . 120 LYS HB3 . 28016 1 1239 . 1 . 1 120 120 LYS HG2 H 1 1.269 0.05 . 1 . . . . . 120 LYS HG2 . 28016 1 1240 . 1 . 1 120 120 LYS HG3 H 1 1.269 0.05 . 1 . . . . . 120 LYS HG3 . 28016 1 1241 . 1 . 1 120 120 LYS HD2 H 1 1.592 0.05 . 1 . . . . . 120 LYS HD2 . 28016 1 1242 . 1 . 1 120 120 LYS HD3 H 1 1.592 0.05 . 1 . . . . . 120 LYS HD3 . 28016 1 1243 . 1 . 1 120 120 LYS HE2 H 1 2.796 0.05 . 1 . . . . . 120 LYS HE2 . 28016 1 1244 . 1 . 1 120 120 LYS HE3 H 1 2.796 0.05 . 1 . . . . . 120 LYS HE3 . 28016 1 1245 . 1 . 1 120 120 LYS C C 13 173.177 0.10 . 1 . . . . . 120 LYS C . 28016 1 1246 . 1 . 1 120 120 LYS CA C 13 54.240 0.015 . 1 . . . . . 120 LYS CA . 28016 1 1247 . 1 . 1 120 120 LYS CB C 13 35.250 0.015 . 1 . . . . . 120 LYS CB . 28016 1 1248 . 1 . 1 120 120 LYS CE C 13 42.438 0.015 . 1 . . . . . 120 LYS CE . 28016 1 1249 . 1 . 1 120 120 LYS N N 15 121.821 0.05 . 1 . . . . . 120 LYS N . 28016 1 1250 . 1 . 1 121 121 TYR H H 1 9.206 0.05 . 1 . . . . . 121 TYR H . 28016 1 1251 . 1 . 1 121 121 TYR HA H 1 4.572 0.05 . 1 . . . . . 121 TYR HA . 28016 1 1252 . 1 . 1 121 121 TYR HB2 H 1 2.734 0.05 . 1 . . . . . 121 TYR HB2 . 28016 1 1253 . 1 . 1 121 121 TYR HB3 H 1 2.734 0.05 . 1 . . . . . 121 TYR HB3 . 28016 1 1254 . 1 . 1 121 121 TYR HD1 H 1 7.101 0.004 . 3 . . . . . 121 TYR HD1 . 28016 1 1255 . 1 . 1 121 121 TYR HD2 H 1 7.101 0.004 . 3 . . . . . 121 TYR HD2 . 28016 1 1256 . 1 . 1 121 121 TYR HE1 H 1 6.685 0.001 . 3 . . . . . 121 TYR HE1 . 28016 1 1257 . 1 . 1 121 121 TYR HE2 H 1 6.685 0.001 . 3 . . . . . 121 TYR HE2 . 28016 1 1258 . 1 . 1 121 121 TYR C C 13 175.585 0.10 . 1 . . . . . 121 TYR C . 28016 1 1259 . 1 . 1 121 121 TYR CA C 13 57.268 0.015 . 1 . . . . . 121 TYR CA . 28016 1 1260 . 1 . 1 121 121 TYR CB C 13 40.001 0.015 . 1 . . . . . 121 TYR CB . 28016 1 1261 . 1 . 1 121 121 TYR CD1 C 13 132.840 0.015 . 1 . . . . . 121 TYR CD1 . 28016 1 1262 . 1 . 1 121 121 TYR CD2 C 13 132.840 0.015 . 1 . . . . . 121 TYR CD2 . 28016 1 1263 . 1 . 1 121 121 TYR CE1 C 13 117.935 0.015 . 1 . . . . . 121 TYR CE1 . 28016 1 1264 . 1 . 1 121 121 TYR CE2 C 13 117.935 0.015 . 1 . . . . . 121 TYR CE2 . 28016 1 1265 . 1 . 1 121 121 TYR N N 15 120.263 0.05 . 1 . . . . . 121 TYR N . 28016 1 1266 . 1 . 1 122 122 HIS H H 1 8.030 0.05 . 1 . . . . . 122 HIS H . 28016 1 1267 . 1 . 1 122 122 HIS HA H 1 5.347 0.05 . 1 . . . . . 122 HIS HA . 28016 1 1268 . 1 . 1 122 122 HIS HB2 H 1 3.258 0.05 . 1 . . . . . 122 HIS HB2 . 28016 1 1269 . 1 . 1 122 122 HIS HB3 H 1 3.258 0.05 . 1 . . . . . 122 HIS HB3 . 28016 1 1270 . 1 . 1 122 122 HIS HD2 H 1 6.684 0.004 . 1 . . . . . 122 HIS HD2 . 28016 1 1271 . 1 . 1 122 122 HIS HE1 H 1 7.592 0.05 . 1 . . . . . 122 HIS HE1 . 28016 1 1272 . 1 . 1 122 122 HIS C C 13 175.918 0.10 . 1 . . . . . 122 HIS C . 28016 1 1273 . 1 . 1 122 122 HIS CA C 13 55.186 0.015 . 1 . . . . . 122 HIS CA . 28016 1 1274 . 1 . 1 122 122 HIS CB C 13 30.249 0.015 . 1 . . . . . 122 HIS CB . 28016 1 1275 . 1 . 1 122 122 HIS CD2 C 13 121.459 0.015 . 1 . . . . . 122 HIS CD2 . 28016 1 1276 . 1 . 1 122 122 HIS CE1 C 13 137.927 0.015 . 1 . . . . . 122 HIS CE1 . 28016 1 1277 . 1 . 1 122 122 HIS N N 15 123.701 0.05 . 1 . . . . . 122 HIS N . 28016 1 1278 . 1 . 1 122 122 HIS ND1 N 15 194.279 0.05 . 1 . . . . . 122 HIS ND1 . 28016 1 1279 . 1 . 1 122 122 HIS NE2 N 15 202.021 0.05 . 1 . . . . . 122 HIS NE2 . 28016 1 1280 . 1 . 1 123 123 THR H H 1 9.217 0.05 . 1 . . . . . 123 THR H . 28016 1 1281 . 1 . 1 123 123 THR HA H 1 4.962 0.05 . 1 . . . . . 123 THR HA . 28016 1 1282 . 1 . 1 123 123 THR HB H 1 4.325 0.05 . 1 . . . . . 123 THR HB . 28016 1 1283 . 1 . 1 123 123 THR HG21 H 1 1.194 0.05 . 1 . . . . . 123 THR MG . 28016 1 1284 . 1 . 1 123 123 THR HG22 H 1 1.194 0.05 . 1 . . . . . 123 THR MG . 28016 1 1285 . 1 . 1 123 123 THR HG23 H 1 1.194 0.05 . 1 . . . . . 123 THR MG . 28016 1 1286 . 1 . 1 123 123 THR C C 13 174.899 0.10 . 1 . . . . . 123 THR C . 28016 1 1287 . 1 . 1 123 123 THR CA C 13 60.185 0.015 . 1 . . . . . 123 THR CA . 28016 1 1288 . 1 . 1 123 123 THR CB C 13 70.483 0.015 . 1 . . . . . 123 THR CB . 28016 1 1289 . 1 . 1 123 123 THR CG2 C 13 22.968 0.015 . 1 . . . . . 123 THR CG2 . 28016 1 1290 . 1 . 1 123 123 THR N N 15 116.124 0.05 . 1 . . . . . 123 THR N . 28016 1 1291 . 1 . 1 124 124 LYS H H 1 8.552 0.05 . 1 . . . . . 124 LYS H . 28016 1 1292 . 1 . 1 124 124 LYS HA H 1 4.470 0.05 . 1 . . . . . 124 LYS HA . 28016 1 1293 . 1 . 1 124 124 LYS HB2 H 1 1.593 0.05 . 1 . . . . . 124 LYS HB2 . 28016 1 1294 . 1 . 1 124 124 LYS HB3 H 1 1.593 0.05 . 1 . . . . . 124 LYS HB3 . 28016 1 1295 . 1 . 1 124 124 LYS HG2 H 1 1.309 0.05 . 1 . . . . . 124 LYS HG2 . 28016 1 1296 . 1 . 1 124 124 LYS HG3 H 1 1.309 0.05 . 1 . . . . . 124 LYS HG3 . 28016 1 1297 . 1 . 1 124 124 LYS HD2 H 1 1.593 0.05 . 1 . . . . . 124 LYS HD2 . 28016 1 1298 . 1 . 1 124 124 LYS HD3 H 1 1.593 0.05 . 1 . . . . . 124 LYS HD3 . 28016 1 1299 . 1 . 1 124 124 LYS HE2 H 1 2.812 0.05 . 1 . . . . . 124 LYS HE2 . 28016 1 1300 . 1 . 1 124 124 LYS HE3 H 1 2.812 0.05 . 1 . . . . . 124 LYS HE3 . 28016 1 1301 . 1 . 1 124 124 LYS C C 13 177.613 0.10 . 1 . . . . . 124 LYS C . 28016 1 1302 . 1 . 1 124 124 LYS CA C 13 55.878 0.015 . 1 . . . . . 124 LYS CA . 28016 1 1303 . 1 . 1 124 124 LYS CB C 13 33.653 0.015 . 1 . . . . . 124 LYS CB . 28016 1 1304 . 1 . 1 124 124 LYS CG C 13 25.805 0.015 . 1 . . . . . 124 LYS CG . 28016 1 1305 . 1 . 1 124 124 LYS CD C 13 29.348 0.015 . 1 . . . . . 124 LYS CD . 28016 1 1306 . 1 . 1 124 124 LYS CE C 13 42.274 0.015 . 1 . . . . . 124 LYS CE . 28016 1 1307 . 1 . 1 124 124 LYS N N 15 121.447 0.05 . 1 . . . . . 124 LYS N . 28016 1 1308 . 1 . 1 125 125 GLY H H 1 8.926 0.05 . 1 . . . . . 125 GLY H . 28016 1 1309 . 1 . 1 125 125 GLY HA2 H 1 4.809 0.05 . 1 . . . . . 125 GLY HA2 . 28016 1 1310 . 1 . 1 125 125 GLY HA3 H 1 4.809 0.05 . 1 . . . . . 125 GLY HA3 . 28016 1 1311 . 1 . 1 125 125 GLY C C 13 174.602 0.10 . 1 . . . . . 125 GLY C . 28016 1 1312 . 1 . 1 125 125 GLY CA C 13 46.934 0.015 . 1 . . . . . 125 GLY CA . 28016 1 1313 . 1 . 1 125 125 GLY N N 15 113.862 0.05 . 1 . . . . . 125 GLY N . 28016 1 1314 . 1 . 1 126 126 ASN HA H 1 4.876 0.05 . 1 . . . . . 126 ASN HA . 28016 1 1315 . 1 . 1 126 126 ASN HB2 H 1 2.971 0.05 . 2 . . . . . 126 ASN HB2 . 28016 1 1316 . 1 . 1 126 126 ASN HB3 H 1 2.835 0.05 . 2 . . . . . 126 ASN HB3 . 28016 1 1317 . 1 . 1 126 126 ASN HD21 H 1 6.926 0.05 . 2 . . . . . 126 ASN HD21 . 28016 1 1318 . 1 . 1 126 126 ASN HD22 H 1 7.572 0.05 . 2 . . . . . 126 ASN HD22 . 28016 1 1319 . 1 . 1 126 126 ASN C C 13 175.279 0.10 . 1 . . . . . 126 ASN C . 28016 1 1320 . 1 . 1 126 126 ASN CA C 13 52.483 0.015 . 1 . . . . . 126 ASN CA . 28016 1 1321 . 1 . 1 126 126 ASN CB C 13 38.154 0.015 . 1 . . . . . 126 ASN CB . 28016 1 1322 . 1 . 1 126 126 ASN CG C 13 177.219 0.10 . 1 . . . . . 126 ASN CG . 28016 1 1323 . 1 . 1 126 126 ASN ND2 N 15 112.665 0.05 . 1 . . . . . 126 ASN ND2 . 28016 1 1324 . 1 . 1 127 127 ALA H H 1 7.766 0.05 . 1 . . . . . 127 ALA H . 28016 1 1325 . 1 . 1 127 127 ALA HA H 1 4.373 0.05 . 1 . . . . . 127 ALA HA . 28016 1 1326 . 1 . 1 127 127 ALA HB1 H 1 1.601 0.05 . 1 . . . . . 127 ALA MB . 28016 1 1327 . 1 . 1 127 127 ALA HB2 H 1 1.601 0.05 . 1 . . . . . 127 ALA MB . 28016 1 1328 . 1 . 1 127 127 ALA HB3 H 1 1.601 0.05 . 1 . . . . . 127 ALA MB . 28016 1 1329 . 1 . 1 127 127 ALA C C 13 177.675 0.10 . 1 . . . . . 127 ALA C . 28016 1 1330 . 1 . 1 127 127 ALA CA C 13 52.900 0.015 . 1 . . . . . 127 ALA CA . 28016 1 1331 . 1 . 1 127 127 ALA CB C 13 19.961 0.015 . 1 . . . . . 127 ALA CB . 28016 1 1332 . 1 . 1 127 127 ALA N N 15 122.363 0.05 . 1 . . . . . 127 ALA N . 28016 1 1333 . 1 . 1 128 128 SER H H 1 8.473 0.05 . 1 . . . . . 128 SER H . 28016 1 1334 . 1 . 1 128 128 SER HA H 1 4.563 0.05 . 1 . . . . . 128 SER HA . 28016 1 1335 . 1 . 1 128 128 SER HB2 H 1 3.796 0.05 . 1 . . . . . 128 SER HB2 . 28016 1 1336 . 1 . 1 128 128 SER HB3 H 1 3.796 0.05 . 1 . . . . . 128 SER HB3 . 28016 1 1337 . 1 . 1 128 128 SER C C 13 173.954 0.10 . 1 . . . . . 128 SER C . 28016 1 1338 . 1 . 1 128 128 SER CA C 13 57.007 0.015 . 1 . . . . . 128 SER CA . 28016 1 1339 . 1 . 1 128 128 SER CB C 13 64.466 0.015 . 1 . . . . . 128 SER CB . 28016 1 1340 . 1 . 1 128 128 SER N N 15 116.155 0.05 . 1 . . . . . 128 SER N . 28016 1 1341 . 1 . 1 129 129 ILE H H 1 7.394 0.05 . 1 . . . . . 129 ILE H . 28016 1 1342 . 1 . 1 129 129 ILE HA H 1 4.058 0.05 . 1 . . . . . 129 ILE HA . 28016 1 1343 . 1 . 1 129 129 ILE HB H 1 1.279 0.05 . 1 . . . . . 129 ILE HB . 28016 1 1344 . 1 . 1 129 129 ILE HG12 H 1 0.721 0.05 . 1 . . . . . 129 ILE HG12 . 28016 1 1345 . 1 . 1 129 129 ILE HG13 H 1 0.721 0.05 . 1 . . . . . 129 ILE HG13 . 28016 1 1346 . 1 . 1 129 129 ILE HG21 H 1 0.410 0.05 . 1 . . . . . 129 ILE MG . 28016 1 1347 . 1 . 1 129 129 ILE HG22 H 1 0.410 0.05 . 1 . . . . . 129 ILE MG . 28016 1 1348 . 1 . 1 129 129 ILE HG23 H 1 0.410 0.05 . 1 . . . . . 129 ILE MG . 28016 1 1349 . 1 . 1 129 129 ILE HD11 H 1 0.495 0.008 . 1 . . . . . 129 ILE MD . 28016 1 1350 . 1 . 1 129 129 ILE HD12 H 1 0.495 0.008 . 1 . . . . . 129 ILE MD . 28016 1 1351 . 1 . 1 129 129 ILE HD13 H 1 0.495 0.008 . 1 . . . . . 129 ILE MD . 28016 1 1352 . 1 . 1 129 129 ILE C C 13 174.795 0.10 . 1 . . . . . 129 ILE C . 28016 1 1353 . 1 . 1 129 129 ILE CA C 13 58.855 0.015 . 1 . . . . . 129 ILE CA . 28016 1 1354 . 1 . 1 129 129 ILE CB C 13 39.275 0.015 . 1 . . . . . 129 ILE CB . 28016 1 1355 . 1 . 1 129 129 ILE CG1 C 13 27.128 0.015 . 1 . . . . . 129 ILE CG1 . 28016 1 1356 . 1 . 1 129 129 ILE CG2 C 13 18.438 0.015 . 1 . . . . . 129 ILE CG2 . 28016 1 1357 . 1 . 1 129 129 ILE CD1 C 13 13.258 0.015 . 1 . . . . . 129 ILE CD1 . 28016 1 1358 . 1 . 1 129 129 ILE N N 15 118.624 0.05 . 1 . . . . . 129 ILE N . 28016 1 1359 . 1 . 1 130 130 ASN H H 1 8.613 0.05 . 1 . . . . . 130 ASN H . 28016 1 1360 . 1 . 1 130 130 ASN HA H 1 4.755 0.05 . 1 . . . . . 130 ASN HA . 28016 1 1361 . 1 . 1 130 130 ASN HB2 H 1 2.906 0.05 . 2 . . . . . 130 ASN HB2 . 28016 1 1362 . 1 . 1 130 130 ASN HB3 H 1 2.703 0.05 . 2 . . . . . 130 ASN HB3 . 28016 1 1363 . 1 . 1 130 130 ASN HD21 H 1 7.646 0.05 . 2 . . . . . 130 ASN HD21 . 28016 1 1364 . 1 . 1 130 130 ASN HD22 H 1 7.044 0.05 . 2 . . . . . 130 ASN HD22 . 28016 1 1365 . 1 . 1 130 130 ASN C C 13 175.745 0.10 . 1 . . . . . 130 ASN C . 28016 1 1366 . 1 . 1 130 130 ASN CA C 13 52.035 0.015 . 1 . . . . . 130 ASN CA . 28016 1 1367 . 1 . 1 130 130 ASN CB C 13 38.955 0.015 . 1 . . . . . 130 ASN CB . 28016 1 1368 . 1 . 1 130 130 ASN CG C 13 177.082 0.10 . 1 . . . . . 130 ASN CG . 28016 1 1369 . 1 . 1 130 130 ASN N N 15 123.820 0.05 . 1 . . . . . 130 ASN N . 28016 1 1370 . 1 . 1 130 130 ASN ND2 N 15 112.877 0.016 . 1 . . . . . 130 ASN ND2 . 28016 1 1371 . 1 . 1 131 131 GLU H H 1 8.937 0.05 . 1 . . . . . 131 GLU H . 28016 1 1372 . 1 . 1 131 131 GLU HA H 1 3.694 0.05 . 1 . . . . . 131 GLU HA . 28016 1 1373 . 1 . 1 131 131 GLU HB2 H 1 2.029 0.05 . 1 . . . . . 131 GLU HB2 . 28016 1 1374 . 1 . 1 131 131 GLU HB3 H 1 2.029 0.05 . 1 . . . . . 131 GLU HB3 . 28016 1 1375 . 1 . 1 131 131 GLU HG2 H 1 2.221 0.05 . 1 . . . . . 131 GLU HG2 . 28016 1 1376 . 1 . 1 131 131 GLU HG3 H 1 2.221 0.05 . 1 . . . . . 131 GLU HG3 . 28016 1 1377 . 1 . 1 131 131 GLU C C 13 178.470 0.10 . 1 . . . . . 131 GLU C . 28016 1 1378 . 1 . 1 131 131 GLU CA C 13 59.794 0.015 . 1 . . . . . 131 GLU CA . 28016 1 1379 . 1 . 1 131 131 GLU CB C 13 29.551 0.015 . 1 . . . . . 131 GLU CB . 28016 1 1380 . 1 . 1 131 131 GLU CG C 13 36.649 0.015 . 1 . . . . . 131 GLU CG . 28016 1 1381 . 1 . 1 131 131 GLU N N 15 124.942 0.05 . 1 . . . . . 131 GLU N . 28016 1 1382 . 1 . 1 132 132 GLU H H 1 8.432 0.05 . 1 . . . . . 132 GLU H . 28016 1 1383 . 1 . 1 132 132 GLU HA H 1 4.009 0.05 . 1 . . . . . 132 GLU HA . 28016 1 1384 . 1 . 1 132 132 GLU HB2 H 1 2.101 0.05 . 1 . . . . . 132 GLU HB2 . 28016 1 1385 . 1 . 1 132 132 GLU HB3 H 1 2.101 0.05 . 1 . . . . . 132 GLU HB3 . 28016 1 1386 . 1 . 1 132 132 GLU HG2 H 1 2.347 0.05 . 1 . . . . . 132 GLU HG2 . 28016 1 1387 . 1 . 1 132 132 GLU HG3 H 1 2.347 0.05 . 1 . . . . . 132 GLU HG3 . 28016 1 1388 . 1 . 1 132 132 GLU C C 13 179.573 0.10 . 1 . . . . . 132 GLU C . 28016 1 1389 . 1 . 1 132 132 GLU CA C 13 59.614 0.015 . 1 . . . . . 132 GLU CA . 28016 1 1390 . 1 . 1 132 132 GLU CB C 13 29.146 0.015 . 1 . . . . . 132 GLU CB . 28016 1 1391 . 1 . 1 132 132 GLU CG C 13 36.457 0.015 . 1 . . . . . 132 GLU CG . 28016 1 1392 . 1 . 1 132 132 GLU N N 15 118.882 0.05 . 1 . . . . . 132 GLU N . 28016 1 1393 . 1 . 1 133 133 GLU H H 1 7.615 0.05 . 1 . . . . . 133 GLU H . 28016 1 1394 . 1 . 1 133 133 GLU HA H 1 4.086 0.05 . 1 . . . . . 133 GLU HA . 28016 1 1395 . 1 . 1 133 133 GLU HB2 H 1 2.053 0.05 . 1 . . . . . 133 GLU HB2 . 28016 1 1396 . 1 . 1 133 133 GLU HB3 H 1 2.053 0.05 . 1 . . . . . 133 GLU HB3 . 28016 1 1397 . 1 . 1 133 133 GLU HG2 H 1 2.254 0.05 . 1 . . . . . 133 GLU HG2 . 28016 1 1398 . 1 . 1 133 133 GLU HG3 H 1 2.254 0.05 . 1 . . . . . 133 GLU HG3 . 28016 1 1399 . 1 . 1 133 133 GLU C C 13 179.803 0.10 . 1 . . . . . 133 GLU C . 28016 1 1400 . 1 . 1 133 133 GLU CA C 13 58.940 0.015 . 1 . . . . . 133 GLU CA . 28016 1 1401 . 1 . 1 133 133 GLU CB C 13 29.572 0.015 . 1 . . . . . 133 GLU CB . 28016 1 1402 . 1 . 1 133 133 GLU CG C 13 36.613 0.015 . 1 . . . . . 133 GLU CG . 28016 1 1403 . 1 . 1 133 133 GLU N N 15 120.372 0.05 . 1 . . . . . 133 GLU N . 28016 1 1404 . 1 . 1 134 134 ILE H H 1 7.363 0.05 . 1 . . . . . 134 ILE H . 28016 1 1405 . 1 . 1 134 134 ILE HA H 1 3.570 0.05 . 1 . . . . . 134 ILE HA . 28016 1 1406 . 1 . 1 134 134 ILE HB H 1 1.676 0.05 . 1 . . . . . 134 ILE HB . 28016 1 1407 . 1 . 1 134 134 ILE HG21 H 1 0.209 0.01 . 1 . . . . . 134 ILE MG . 28016 1 1408 . 1 . 1 134 134 ILE HG22 H 1 0.209 0.01 . 1 . . . . . 134 ILE MG . 28016 1 1409 . 1 . 1 134 134 ILE HG23 H 1 0.209 0.01 . 1 . . . . . 134 ILE MG . 28016 1 1410 . 1 . 1 134 134 ILE HD11 H 1 -0.060 0.05 . 1 . . . . . 134 ILE MD . 28016 1 1411 . 1 . 1 134 134 ILE HD12 H 1 -0.060 0.05 . 1 . . . . . 134 ILE MD . 28016 1 1412 . 1 . 1 134 134 ILE HD13 H 1 -0.060 0.05 . 1 . . . . . 134 ILE MD . 28016 1 1413 . 1 . 1 134 134 ILE C C 13 178.994 0.10 . 1 . . . . . 134 ILE C . 28016 1 1414 . 1 . 1 134 134 ILE CA C 13 63.377 0.015 . 1 . . . . . 134 ILE CA . 28016 1 1415 . 1 . 1 134 134 ILE CB C 13 36.941 0.015 . 1 . . . . . 134 ILE CB . 28016 1 1416 . 1 . 1 134 134 ILE CG1 C 13 27.431 0.015 . 1 . . . . . 134 ILE CG1 . 28016 1 1417 . 1 . 1 134 134 ILE CG2 C 13 16.412 0.015 . 1 . . . . . 134 ILE CG2 . 28016 1 1418 . 1 . 1 134 134 ILE CD1 C 13 10.977 0.015 . 1 . . . . . 134 ILE CD1 . 28016 1 1419 . 1 . 1 134 134 ILE N N 15 121.225 0.05 . 1 . . . . . 134 ILE N . 28016 1 1420 . 1 . 1 135 135 LYS H H 1 7.990 0.05 . 1 . . . . . 135 LYS H . 28016 1 1421 . 1 . 1 135 135 LYS HA H 1 3.882 0.05 . 1 . . . . . 135 LYS HA . 28016 1 1422 . 1 . 1 135 135 LYS HB2 H 1 1.874 0.05 . 1 . . . . . 135 LYS HB2 . 28016 1 1423 . 1 . 1 135 135 LYS HB3 H 1 1.874 0.05 . 1 . . . . . 135 LYS HB3 . 28016 1 1424 . 1 . 1 135 135 LYS HG2 H 1 1.395 0.05 . 1 . . . . . 135 LYS HG2 . 28016 1 1425 . 1 . 1 135 135 LYS HG3 H 1 1.395 0.05 . 1 . . . . . 135 LYS HG3 . 28016 1 1426 . 1 . 1 135 135 LYS HD2 H 1 1.697 0.05 . 1 . . . . . 135 LYS HD2 . 28016 1 1427 . 1 . 1 135 135 LYS HD3 H 1 1.697 0.05 . 1 . . . . . 135 LYS HD3 . 28016 1 1428 . 1 . 1 135 135 LYS HE2 H 1 2.942 0.05 . 1 . . . . . 135 LYS HE2 . 28016 1 1429 . 1 . 1 135 135 LYS HE3 H 1 2.942 0.05 . 1 . . . . . 135 LYS HE3 . 28016 1 1430 . 1 . 1 135 135 LYS C C 13 178.678 0.10 . 1 . . . . . 135 LYS C . 28016 1 1431 . 1 . 1 135 135 LYS CA C 13 60.003 0.015 . 1 . . . . . 135 LYS CA . 28016 1 1432 . 1 . 1 135 135 LYS CB C 13 32.584 0.015 . 1 . . . . . 135 LYS CB . 28016 1 1433 . 1 . 1 135 135 LYS CG C 13 24.999 0.015 . 1 . . . . . 135 LYS CG . 28016 1 1434 . 1 . 1 135 135 LYS CD C 13 29.493 0.015 . 1 . . . . . 135 LYS CD . 28016 1 1435 . 1 . 1 135 135 LYS CE C 13 42.051 0.015 . 1 . . . . . 135 LYS CE . 28016 1 1436 . 1 . 1 135 135 LYS N N 15 121.291 0.05 . 1 . . . . . 135 LYS N . 28016 1 1437 . 1 . 1 136 136 ALA H H 1 7.936 0.05 . 1 . . . . . 136 ALA H . 28016 1 1438 . 1 . 1 136 136 ALA HA H 1 4.223 0.05 . 1 . . . . . 136 ALA HA . 28016 1 1439 . 1 . 1 136 136 ALA HB1 H 1 1.494 0.05 . 1 . . . . . 136 ALA MB . 28016 1 1440 . 1 . 1 136 136 ALA HB2 H 1 1.494 0.05 . 1 . . . . . 136 ALA MB . 28016 1 1441 . 1 . 1 136 136 ALA HB3 H 1 1.494 0.05 . 1 . . . . . 136 ALA MB . 28016 1 1442 . 1 . 1 136 136 ALA C C 13 181.196 0.10 . 1 . . . . . 136 ALA C . 28016 1 1443 . 1 . 1 136 136 ALA CA C 13 54.972 0.015 . 1 . . . . . 136 ALA CA . 28016 1 1444 . 1 . 1 136 136 ALA CB C 13 18.084 0.015 . 1 . . . . . 136 ALA CB . 28016 1 1445 . 1 . 1 136 136 ALA N N 15 121.268 0.05 . 1 . . . . . 136 ALA N . 28016 1 1446 . 1 . 1 137 137 GLY H H 1 8.103 0.05 . 1 . . . . . 137 GLY H . 28016 1 1447 . 1 . 1 137 137 GLY HA2 H 1 3.997 0.05 . 1 . . . . . 137 GLY HA2 . 28016 1 1448 . 1 . 1 137 137 GLY HA3 H 1 3.997 0.05 . 1 . . . . . 137 GLY HA3 . 28016 1 1449 . 1 . 1 137 137 GLY C C 13 177.086 0.10 . 1 . . . . . 137 GLY C . 28016 1 1450 . 1 . 1 137 137 GLY CA C 13 47.194 0.015 . 1 . . . . . 137 GLY CA . 28016 1 1451 . 1 . 1 137 137 GLY N N 15 106.690 0.05 . 1 . . . . . 137 GLY N . 28016 1 1452 . 1 . 1 138 138 LYS H H 1 8.164 0.05 . 1 . . . . . 138 LYS H . 28016 1 1453 . 1 . 1 138 138 LYS HA H 1 4.229 0.05 . 1 . . . . . 138 LYS HA . 28016 1 1454 . 1 . 1 138 138 LYS HB2 H 1 2.079 0.05 . 1 . . . . . 138 LYS HB2 . 28016 1 1455 . 1 . 1 138 138 LYS HB3 H 1 2.079 0.05 . 1 . . . . . 138 LYS HB3 . 28016 1 1456 . 1 . 1 138 138 LYS HG2 H 1 1.399 0.05 . 1 . . . . . 138 LYS HG2 . 28016 1 1457 . 1 . 1 138 138 LYS HG3 H 1 1.399 0.05 . 1 . . . . . 138 LYS HG3 . 28016 1 1458 . 1 . 1 138 138 LYS HD2 H 1 1.596 0.05 . 1 . . . . . 138 LYS HD2 . 28016 1 1459 . 1 . 1 138 138 LYS HD3 H 1 1.596 0.05 . 1 . . . . . 138 LYS HD3 . 28016 1 1460 . 1 . 1 138 138 LYS HE2 H 1 2.810 0.05 . 1 . . . . . 138 LYS HE2 . 28016 1 1461 . 1 . 1 138 138 LYS HE3 H 1 2.810 0.05 . 1 . . . . . 138 LYS HE3 . 28016 1 1462 . 1 . 1 138 138 LYS C C 13 179.747 0.10 . 1 . . . . . 138 LYS C . 28016 1 1463 . 1 . 1 138 138 LYS CA C 13 59.700 0.015 . 1 . . . . . 138 LYS CA . 28016 1 1464 . 1 . 1 138 138 LYS CB C 13 32.614 0.015 . 1 . . . . . 138 LYS CB . 28016 1 1465 . 1 . 1 138 138 LYS CG C 13 24.814 0.015 . 1 . . . . . 138 LYS CG . 28016 1 1466 . 1 . 1 138 138 LYS CD C 13 29.723 0.015 . 1 . . . . . 138 LYS CD . 28016 1 1467 . 1 . 1 138 138 LYS CE C 13 41.759 0.015 . 1 . . . . . 138 LYS CE . 28016 1 1468 . 1 . 1 138 138 LYS N N 15 124.603 0.05 . 1 . . . . . 138 LYS N . 28016 1 1469 . 1 . 1 139 139 GLU H H 1 8.194 0.05 . 1 . . . . . 139 GLU H . 28016 1 1470 . 1 . 1 139 139 GLU HA H 1 4.197 0.05 . 1 . . . . . 139 GLU HA . 28016 1 1471 . 1 . 1 139 139 GLU HB2 H 1 2.302 0.05 . 1 . . . . . 139 GLU HB2 . 28016 1 1472 . 1 . 1 139 139 GLU HB3 H 1 2.302 0.05 . 1 . . . . . 139 GLU HB3 . 28016 1 1473 . 1 . 1 139 139 GLU HG2 H 1 2.461 0.05 . 1 . . . . . 139 GLU HG2 . 28016 1 1474 . 1 . 1 139 139 GLU HG3 H 1 2.461 0.05 . 1 . . . . . 139 GLU HG3 . 28016 1 1475 . 1 . 1 139 139 GLU C C 13 180.031 0.10 . 1 . . . . . 139 GLU C . 28016 1 1476 . 1 . 1 139 139 GLU CA C 13 59.280 0.015 . 1 . . . . . 139 GLU CA . 28016 1 1477 . 1 . 1 139 139 GLU CB C 13 29.600 0.015 . 1 . . . . . 139 GLU CB . 28016 1 1478 . 1 . 1 139 139 GLU CG C 13 36.264 0.015 . 1 . . . . . 139 GLU CG . 28016 1 1479 . 1 . 1 139 139 GLU N N 15 120.582 0.05 . 1 . . . . . 139 GLU N . 28016 1 1480 . 1 . 1 140 140 LYS H H 1 8.129 0.05 . 1 . . . . . 140 LYS H . 28016 1 1481 . 1 . 1 140 140 LYS HA H 1 4.252 0.05 . 1 . . . . . 140 LYS HA . 28016 1 1482 . 1 . 1 140 140 LYS HB2 H 1 2.025 0.05 . 1 . . . . . 140 LYS HB2 . 28016 1 1483 . 1 . 1 140 140 LYS HB3 H 1 2.025 0.05 . 1 . . . . . 140 LYS HB3 . 28016 1 1484 . 1 . 1 140 140 LYS HG2 H 1 1.416 0.05 . 1 . . . . . 140 LYS HG2 . 28016 1 1485 . 1 . 1 140 140 LYS HG3 H 1 1.416 0.05 . 1 . . . . . 140 LYS HG3 . 28016 1 1486 . 1 . 1 140 140 LYS HD2 H 1 1.593 0.05 . 1 . . . . . 140 LYS HD2 . 28016 1 1487 . 1 . 1 140 140 LYS HD3 H 1 1.593 0.05 . 1 . . . . . 140 LYS HD3 . 28016 1 1488 . 1 . 1 140 140 LYS HE2 H 1 3.061 0.05 . 1 . . . . . 140 LYS HE2 . 28016 1 1489 . 1 . 1 140 140 LYS HE3 H 1 3.061 0.05 . 1 . . . . . 140 LYS HE3 . 28016 1 1490 . 1 . 1 140 140 LYS C C 13 179.310 0.10 . 1 . . . . . 140 LYS C . 28016 1 1491 . 1 . 1 140 140 LYS CA C 13 59.318 0.015 . 1 . . . . . 140 LYS CA . 28016 1 1492 . 1 . 1 140 140 LYS CB C 13 32.743 0.015 . 1 . . . . . 140 LYS CB . 28016 1 1493 . 1 . 1 140 140 LYS CG C 13 24.831 0.015 . 1 . . . . . 140 LYS CG . 28016 1 1494 . 1 . 1 140 140 LYS CD C 13 29.251 0.015 . 1 . . . . . 140 LYS CD . 28016 1 1495 . 1 . 1 140 140 LYS CE C 13 41.681 0.015 . 1 . . . . . 140 LYS CE . 28016 1 1496 . 1 . 1 140 140 LYS N N 15 121.488 0.05 . 1 . . . . . 140 LYS N . 28016 1 1497 . 1 . 1 141 141 ALA H H 1 7.993 0.05 . 1 . . . . . 141 ALA H . 28016 1 1498 . 1 . 1 141 141 ALA HA H 1 4.071 0.05 . 1 . . . . . 141 ALA HA . 28016 1 1499 . 1 . 1 141 141 ALA HB1 H 1 1.604 0.05 . 1 . . . . . 141 ALA MB . 28016 1 1500 . 1 . 1 141 141 ALA HB2 H 1 1.604 0.05 . 1 . . . . . 141 ALA MB . 28016 1 1501 . 1 . 1 141 141 ALA HB3 H 1 1.604 0.05 . 1 . . . . . 141 ALA MB . 28016 1 1502 . 1 . 1 141 141 ALA C C 13 180.160 0.10 . 1 . . . . . 141 ALA C . 28016 1 1503 . 1 . 1 141 141 ALA CA C 13 55.531 0.015 . 1 . . . . . 141 ALA CA . 28016 1 1504 . 1 . 1 141 141 ALA CB C 13 18.160 0.015 . 1 . . . . . 141 ALA CB . 28016 1 1505 . 1 . 1 141 141 ALA N N 15 122.258 0.05 . 1 . . . . . 141 ALA N . 28016 1 1506 . 1 . 1 142 142 ALA H H 1 8.225 0.05 . 1 . . . . . 142 ALA H . 28016 1 1507 . 1 . 1 142 142 ALA HA H 1 4.279 0.05 . 1 . . . . . 142 ALA HA . 28016 1 1508 . 1 . 1 142 142 ALA HB1 H 1 1.594 0.05 . 1 . . . . . 142 ALA MB . 28016 1 1509 . 1 . 1 142 142 ALA HB2 H 1 1.594 0.05 . 1 . . . . . 142 ALA MB . 28016 1 1510 . 1 . 1 142 142 ALA HB3 H 1 1.594 0.05 . 1 . . . . . 142 ALA MB . 28016 1 1511 . 1 . 1 142 142 ALA C C 13 180.816 0.05 . 1 . . . . . 142 ALA C . 28016 1 1512 . 1 . 1 142 142 ALA CA C 13 55.094 0.05 . 1 . . . . . 142 ALA CA . 28016 1 1513 . 1 . 1 142 142 ALA CB C 13 18.127 0.05 . 1 . . . . . 142 ALA CB . 28016 1 1514 . 1 . 1 142 142 ALA N N 15 121.695 0.05 . 1 . . . . . 142 ALA N . 28016 1 1515 . 1 . 1 143 143 GLY H H 1 8.193 0.05 . 1 . . . . . 143 GLY H . 28016 1 1516 . 1 . 1 143 143 GLY HA2 H 1 3.941 0.05 . 1 . . . . . 143 GLY HA2 . 28016 1 1517 . 1 . 1 143 143 GLY HA3 H 1 3.941 0.05 . 1 . . . . . 143 GLY HA3 . 28016 1 1518 . 1 . 1 143 143 GLY C C 13 176.959 0.10 . 1 . . . . . 143 GLY C . 28016 1 1519 . 1 . 1 143 143 GLY CA C 13 46.850 0.015 . 1 . . . . . 143 GLY CA . 28016 1 1520 . 1 . 1 143 143 GLY N N 15 105.869 0.05 . 1 . . . . . 143 GLY N . 28016 1 1521 . 1 . 1 144 144 LEU H H 1 7.869 0.05 . 1 . . . . . 144 LEU H . 28016 1 1522 . 1 . 1 144 144 LEU HA H 1 4.041 0.05 . 1 . . . . . 144 LEU HA . 28016 1 1523 . 1 . 1 144 144 LEU HB2 H 1 1.832 0.05 . 1 . . . . . 144 LEU HB2 . 28016 1 1524 . 1 . 1 144 144 LEU HB3 H 1 1.832 0.05 . 1 . . . . . 144 LEU HB3 . 28016 1 1525 . 1 . 1 144 144 LEU HG H 1 1.466 0.05 . 1 . . . . . 144 LEU HG . 28016 1 1526 . 1 . 1 144 144 LEU HD11 H 1 0.669 0.05 . 1 . . . . . 144 LEU MD1 . 28016 1 1527 . 1 . 1 144 144 LEU HD12 H 1 0.669 0.05 . 1 . . . . . 144 LEU MD1 . 28016 1 1528 . 1 . 1 144 144 LEU HD13 H 1 0.669 0.05 . 1 . . . . . 144 LEU MD1 . 28016 1 1529 . 1 . 1 144 144 LEU HD21 H 1 0.669 0.05 . 1 . . . . . 144 LEU MD2 . 28016 1 1530 . 1 . 1 144 144 LEU HD22 H 1 0.669 0.05 . 1 . . . . . 144 LEU MD2 . 28016 1 1531 . 1 . 1 144 144 LEU HD23 H 1 0.669 0.05 . 1 . . . . . 144 LEU MD2 . 28016 1 1532 . 1 . 1 144 144 LEU C C 13 178.142 0.10 . 1 . . . . . 144 LEU C . 28016 1 1533 . 1 . 1 144 144 LEU CA C 13 57.882 0.015 . 1 . . . . . 144 LEU CA . 28016 1 1534 . 1 . 1 144 144 LEU CB C 13 41.087 0.015 . 1 . . . . . 144 LEU CB . 28016 1 1535 . 1 . 1 144 144 LEU CG C 13 26.734 0.015 . 1 . . . . . 144 LEU CG . 28016 1 1536 . 1 . 1 144 144 LEU CD1 C 13 24.086 0.015 . 1 . . . . . 144 LEU CD1 . 28016 1 1537 . 1 . 1 144 144 LEU CD2 C 13 24.086 0.015 . 1 . . . . . 144 LEU CD2 . 28016 1 1538 . 1 . 1 144 144 LEU N N 15 124.687 0.05 . 1 . . . . . 144 LEU N . 28016 1 1539 . 1 . 1 145 145 PHE H H 1 7.947 0.05 . 1 . . . . . 145 PHE H . 28016 1 1540 . 1 . 1 145 145 PHE HB2 H 1 3.000 0.05 . 1 . . . . . 145 PHE HB2 . 28016 1 1541 . 1 . 1 145 145 PHE HB3 H 1 3.000 0.05 . 1 . . . . . 145 PHE HB3 . 28016 1 1542 . 1 . 1 145 145 PHE HD1 H 1 6.550 0.001 . 3 . . . . . 145 PHE HD1 . 28016 1 1543 . 1 . 1 145 145 PHE HD2 H 1 6.550 0.001 . 3 . . . . . 145 PHE HD2 . 28016 1 1544 . 1 . 1 145 145 PHE HE1 H 1 6.781 0.008 . 3 . . . . . 145 PHE HE1 . 28016 1 1545 . 1 . 1 145 145 PHE HE2 H 1 6.781 0.008 . 3 . . . . . 145 PHE HE2 . 28016 1 1546 . 1 . 1 145 145 PHE C C 13 177.399 0.10 . 1 . . . . . 145 PHE C . 28016 1 1547 . 1 . 1 145 145 PHE CA C 13 62.030 0.015 . 1 . . . . . 145 PHE CA . 28016 1 1548 . 1 . 1 145 145 PHE CB C 13 38.341 0.015 . 1 . . . . . 145 PHE CB . 28016 1 1549 . 1 . 1 145 145 PHE CD1 C 13 131.234 0.015 . 1 . . . . . 145 PHE CD1 . 28016 1 1550 . 1 . 1 145 145 PHE CD2 C 13 131.234 0.015 . 1 . . . . . 145 PHE CD2 . 28016 1 1551 . 1 . 1 145 145 PHE CE1 C 13 130.366 0.015 . 1 . . . . . 145 PHE CE1 . 28016 1 1552 . 1 . 1 145 145 PHE CE2 C 13 130.366 0.015 . 1 . . . . . 145 PHE CE2 . 28016 1 1553 . 1 . 1 145 145 PHE N N 15 118.175 0.05 . 1 . . . . . 145 PHE N . 28016 1 1554 . 1 . 1 146 146 LYS H H 1 8.090 0.05 . 1 . . . . . 146 LYS H . 28016 1 1555 . 1 . 1 146 146 LYS HA H 1 3.869 0.05 . 1 . . . . . 146 LYS HA . 28016 1 1556 . 1 . 1 146 146 LYS HB2 H 1 1.888 0.05 . 1 . . . . . 146 LYS HB2 . 28016 1 1557 . 1 . 1 146 146 LYS HB3 H 1 1.888 0.05 . 1 . . . . . 146 LYS HB3 . 28016 1 1558 . 1 . 1 146 146 LYS HG2 H 1 1.668 0.05 . 1 . . . . . 146 LYS HG2 . 28016 1 1559 . 1 . 1 146 146 LYS HG3 H 1 1.668 0.05 . 1 . . . . . 146 LYS HG3 . 28016 1 1560 . 1 . 1 146 146 LYS HD2 H 1 1.742 0.05 . 1 . . . . . 146 LYS HD2 . 28016 1 1561 . 1 . 1 146 146 LYS HD3 H 1 1.742 0.05 . 1 . . . . . 146 LYS HD3 . 28016 1 1562 . 1 . 1 146 146 LYS HE2 H 1 3.032 0.05 . 1 . . . . . 146 LYS HE2 . 28016 1 1563 . 1 . 1 146 146 LYS HE3 H 1 3.032 0.05 . 1 . . . . . 146 LYS HE3 . 28016 1 1564 . 1 . 1 146 146 LYS C C 13 179.323 0.10 . 1 . . . . . 146 LYS C . 28016 1 1565 . 1 . 1 146 146 LYS CA C 13 58.778 0.015 . 1 . . . . . 146 LYS CA . 28016 1 1566 . 1 . 1 146 146 LYS CB C 13 31.896 0.015 . 1 . . . . . 146 LYS CB . 28016 1 1567 . 1 . 1 146 146 LYS CG C 13 24.974 0.015 . 1 . . . . . 146 LYS CG . 28016 1 1568 . 1 . 1 146 146 LYS CD C 13 28.638 0.015 . 1 . . . . . 146 LYS CD . 28016 1 1569 . 1 . 1 146 146 LYS CE C 13 42.106 0.015 . 1 . . . . . 146 LYS CE . 28016 1 1570 . 1 . 1 146 146 LYS N N 15 117.542 0.05 . 1 . . . . . 146 LYS N . 28016 1 1571 . 1 . 1 147 147 ALA H H 1 7.837 0.05 . 1 . . . . . 147 ALA H . 28016 1 1572 . 1 . 1 147 147 ALA HA H 1 4.276 0.05 . 1 . . . . . 147 ALA HA . 28016 1 1573 . 1 . 1 147 147 ALA HB1 H 1 1.527 0.05 . 1 . . . . . 147 ALA MB . 28016 1 1574 . 1 . 1 147 147 ALA HB2 H 1 1.527 0.05 . 1 . . . . . 147 ALA MB . 28016 1 1575 . 1 . 1 147 147 ALA HB3 H 1 1.527 0.05 . 1 . . . . . 147 ALA MB . 28016 1 1576 . 1 . 1 147 147 ALA C C 13 180.994 0.10 . 1 . . . . . 147 ALA C . 28016 1 1577 . 1 . 1 147 147 ALA CA C 13 55.038 0.015 . 1 . . . . . 147 ALA CA . 28016 1 1578 . 1 . 1 147 147 ALA CB C 13 18.110 0.015 . 1 . . . . . 147 ALA CB . 28016 1 1579 . 1 . 1 147 147 ALA N N 15 122.737 0.05 . 1 . . . . . 147 ALA N . 28016 1 1580 . 1 . 1 148 148 VAL H H 1 8.123 0.05 . 1 . . . . . 148 VAL H . 28016 1 1581 . 1 . 1 148 148 VAL HA H 1 3.487 0.05 . 1 . . . . . 148 VAL HA . 28016 1 1582 . 1 . 1 148 148 VAL HB H 1 2.038 0.05 . 1 . . . . . 148 VAL HB . 28016 1 1583 . 1 . 1 148 148 VAL HG11 H 1 0.905 0.05 . 1 . . . . . 148 VAL MG1 . 28016 1 1584 . 1 . 1 148 148 VAL HG12 H 1 0.905 0.05 . 1 . . . . . 148 VAL MG1 . 28016 1 1585 . 1 . 1 148 148 VAL HG13 H 1 0.905 0.05 . 1 . . . . . 148 VAL MG1 . 28016 1 1586 . 1 . 1 148 148 VAL HG21 H 1 0.905 0.05 . 1 . . . . . 148 VAL MG2 . 28016 1 1587 . 1 . 1 148 148 VAL HG22 H 1 0.905 0.05 . 1 . . . . . 148 VAL MG2 . 28016 1 1588 . 1 . 1 148 148 VAL HG23 H 1 0.905 0.05 . 1 . . . . . 148 VAL MG2 . 28016 1 1589 . 1 . 1 148 148 VAL C C 13 177.076 0.10 . 1 . . . . . 148 VAL C . 28016 1 1590 . 1 . 1 148 148 VAL CA C 13 66.937 0.015 . 1 . . . . . 148 VAL CA . 28016 1 1591 . 1 . 1 148 148 VAL CB C 13 30.921 0.015 . 1 . . . . . 148 VAL CB . 28016 1 1592 . 1 . 1 148 148 VAL CG1 C 13 21.454 0.015 . 2 . . . . . 148 VAL CG1 . 28016 1 1593 . 1 . 1 148 148 VAL CG2 C 13 23.658 0.015 . 2 . . . . . 148 VAL CG2 . 28016 1 1594 . 1 . 1 148 148 VAL N N 15 120.859 0.05 . 1 . . . . . 148 VAL N . 28016 1 1595 . 1 . 1 149 149 GLU H H 1 8.576 0.05 . 1 . . . . . 149 GLU H . 28016 1 1596 . 1 . 1 149 149 GLU HA H 1 3.477 0.05 . 1 . . . . . 149 GLU HA . 28016 1 1597 . 1 . 1 149 149 GLU HB2 H 1 1.952 0.05 . 1 . . . . . 149 GLU HB2 . 28016 1 1598 . 1 . 1 149 149 GLU HB3 H 1 1.952 0.05 . 1 . . . . . 149 GLU HB3 . 28016 1 1599 . 1 . 1 149 149 GLU HG2 H 1 1.952 0.05 . 1 . . . . . 149 GLU HG2 . 28016 1 1600 . 1 . 1 149 149 GLU HG3 H 1 1.952 0.05 . 1 . . . . . 149 GLU HG3 . 28016 1 1601 . 1 . 1 149 149 GLU C C 13 177.469 0.10 . 1 . . . . . 149 GLU C . 28016 1 1602 . 1 . 1 149 149 GLU CA C 13 60.537 0.015 . 1 . . . . . 149 GLU CA . 28016 1 1603 . 1 . 1 149 149 GLU CB C 13 30.437 0.015 . 1 . . . . . 149 GLU CB . 28016 1 1604 . 1 . 1 149 149 GLU CG C 13 37.618 0.015 . 1 . . . . . 149 GLU CG . 28016 1 1605 . 1 . 1 149 149 GLU N N 15 120.696 0.05 . 1 . . . . . 149 GLU N . 28016 1 1606 . 1 . 1 150 150 ALA H H 1 8.123 0.05 . 1 . . . . . 150 ALA H . 28016 1 1607 . 1 . 1 150 150 ALA HA H 1 4.064 0.05 . 1 . . . . . 150 ALA HA . 28016 1 1608 . 1 . 1 150 150 ALA HB1 H 1 1.542 0.05 . 1 . . . . . 150 ALA MB . 28016 1 1609 . 1 . 1 150 150 ALA HB2 H 1 1.542 0.05 . 1 . . . . . 150 ALA MB . 28016 1 1610 . 1 . 1 150 150 ALA HB3 H 1 1.542 0.05 . 1 . . . . . 150 ALA MB . 28016 1 1611 . 1 . 1 150 150 ALA C C 13 180.947 0.10 . 1 . . . . . 150 ALA C . 28016 1 1612 . 1 . 1 150 150 ALA CA C 13 55.334 0.015 . 1 . . . . . 150 ALA CA . 28016 1 1613 . 1 . 1 150 150 ALA CB C 13 18.084 0.015 . 1 . . . . . 150 ALA CB . 28016 1 1614 . 1 . 1 150 150 ALA N N 15 118.669 0.05 . 1 . . . . . 150 ALA N . 28016 1 1615 . 1 . 1 151 151 TYR H H 1 7.809 0.05 . 1 . . . . . 151 TYR H . 28016 1 1616 . 1 . 1 151 151 TYR HA H 1 4.309 0.05 . 1 . . . . . 151 TYR HA . 28016 1 1617 . 1 . 1 151 151 TYR HB2 H 1 3.284 0.05 . 1 . . . . . 151 TYR HB2 . 28016 1 1618 . 1 . 1 151 151 TYR HB3 H 1 3.284 0.05 . 1 . . . . . 151 TYR HB3 . 28016 1 1619 . 1 . 1 151 151 TYR HD1 H 1 6.984 0.002 . 3 . . . . . 151 TYR HD1 . 28016 1 1620 . 1 . 1 151 151 TYR HD2 H 1 6.984 0.002 . 3 . . . . . 151 TYR HD2 . 28016 1 1621 . 1 . 1 151 151 TYR HE1 H 1 6.482 0.001 . 3 . . . . . 151 TYR HE1 . 28016 1 1622 . 1 . 1 151 151 TYR HE2 H 1 6.482 0.001 . 3 . . . . . 151 TYR HE2 . 28016 1 1623 . 1 . 1 151 151 TYR C C 13 178.687 0.10 . 1 . . . . . 151 TYR C . 28016 1 1624 . 1 . 1 151 151 TYR CA C 13 62.192 0.015 . 1 . . . . . 151 TYR CA . 28016 1 1625 . 1 . 1 151 151 TYR CB C 13 38.610 0.015 . 1 . . . . . 151 TYR CB . 28016 1 1626 . 1 . 1 151 151 TYR CD1 C 13 133.220 0.015 . 1 . . . . . 151 TYR CD1 . 28016 1 1627 . 1 . 1 151 151 TYR CD2 C 13 133.220 0.015 . 1 . . . . . 151 TYR CD2 . 28016 1 1628 . 1 . 1 151 151 TYR CE1 C 13 117.673 0.015 . 1 . . . . . 151 TYR CE1 . 28016 1 1629 . 1 . 1 151 151 TYR CE2 C 13 117.673 0.015 . 1 . . . . . 151 TYR CE2 . 28016 1 1630 . 1 . 1 151 151 TYR N N 15 120.263 0.05 . 1 . . . . . 151 TYR N . 28016 1 1631 . 1 . 1 152 152 LEU H H 1 8.570 0.05 . 1 . . . . . 152 LEU H . 28016 1 1632 . 1 . 1 152 152 LEU HA H 1 4.004 0.05 . 1 . . . . . 152 LEU HA . 28016 1 1633 . 1 . 1 152 152 LEU HB2 H 1 1.371 0.05 . 2 . . . . . 152 LEU HB2 . 28016 1 1634 . 1 . 1 152 152 LEU HB3 H 1 2.032 0.05 . 2 . . . . . 152 LEU HB3 . 28016 1 1635 . 1 . 1 152 152 LEU HG H 1 0.854 0.05 . 1 . . . . . 152 LEU HG . 28016 1 1636 . 1 . 1 152 152 LEU HD11 H 1 1.051 0.05 . 1 . . . . . 152 LEU MD1 . 28016 1 1637 . 1 . 1 152 152 LEU HD12 H 1 1.051 0.05 . 1 . . . . . 152 LEU MD1 . 28016 1 1638 . 1 . 1 152 152 LEU HD13 H 1 1.051 0.05 . 1 . . . . . 152 LEU MD1 . 28016 1 1639 . 1 . 1 152 152 LEU HD21 H 1 1.051 0.05 . 1 . . . . . 152 LEU MD2 . 28016 1 1640 . 1 . 1 152 152 LEU HD22 H 1 1.051 0.05 . 1 . . . . . 152 LEU MD2 . 28016 1 1641 . 1 . 1 152 152 LEU HD23 H 1 1.051 0.05 . 1 . . . . . 152 LEU MD2 . 28016 1 1642 . 1 . 1 152 152 LEU C C 13 180.345 0.10 . 1 . . . . . 152 LEU C . 28016 1 1643 . 1 . 1 152 152 LEU CA C 13 57.456 0.015 . 1 . . . . . 152 LEU CA . 28016 1 1644 . 1 . 1 152 152 LEU CB C 13 41.680 0.015 . 1 . . . . . 152 LEU CB . 28016 1 1645 . 1 . 1 152 152 LEU CG C 13 27.318 0.015 . 1 . . . . . 152 LEU CG . 28016 1 1646 . 1 . 1 152 152 LEU CD1 C 13 22.944 0.015 . 1 . . . . . 152 LEU CD1 . 28016 1 1647 . 1 . 1 152 152 LEU CD2 C 13 22.944 0.015 . 1 . . . . . 152 LEU CD2 . 28016 1 1648 . 1 . 1 152 152 LEU N N 15 121.012 0.05 . 1 . . . . . 152 LEU N . 28016 1 1649 . 1 . 1 153 153 LEU H H 1 8.366 0.05 . 1 . . . . . 153 LEU H . 28016 1 1650 . 1 . 1 153 153 LEU HA H 1 4.149 0.05 . 1 . . . . . 153 LEU HA . 28016 1 1651 . 1 . 1 153 153 LEU HB2 H 1 1.803 0.05 . 2 . . . . . 153 LEU HB2 . 28016 1 1652 . 1 . 1 153 153 LEU HB3 H 1 1.389 0.05 . 2 . . . . . 153 LEU HB3 . 28016 1 1653 . 1 . 1 153 153 LEU HG H 1 1.803 0.05 . 1 . . . . . 153 LEU HG . 28016 1 1654 . 1 . 1 153 153 LEU HD11 H 1 0.815 0.05 . 1 . . . . . 153 LEU MD1 . 28016 1 1655 . 1 . 1 153 153 LEU HD12 H 1 0.815 0.05 . 1 . . . . . 153 LEU MD1 . 28016 1 1656 . 1 . 1 153 153 LEU HD13 H 1 0.815 0.05 . 1 . . . . . 153 LEU MD1 . 28016 1 1657 . 1 . 1 153 153 LEU HD21 H 1 0.815 0.05 . 1 . . . . . 153 LEU MD2 . 28016 1 1658 . 1 . 1 153 153 LEU HD22 H 1 0.815 0.05 . 1 . . . . . 153 LEU MD2 . 28016 1 1659 . 1 . 1 153 153 LEU HD23 H 1 0.815 0.05 . 1 . . . . . 153 LEU MD2 . 28016 1 1660 . 1 . 1 153 153 LEU C C 13 178.672 0.10 . 1 . . . . . 153 LEU C . 28016 1 1661 . 1 . 1 153 153 LEU CA C 13 57.040 0.015 . 1 . . . . . 153 LEU CA . 28016 1 1662 . 1 . 1 153 153 LEU CB C 13 41.878 0.015 . 1 . . . . . 153 LEU CB . 28016 1 1663 . 1 . 1 153 153 LEU CG C 13 25.596 0.015 . 1 . . . . . 153 LEU CG . 28016 1 1664 . 1 . 1 153 153 LEU CD1 C 13 22.481 0.015 . 2 . . . . . 153 LEU CD1 . 28016 1 1665 . 1 . 1 153 153 LEU CD2 C 13 25.596 0.015 . 2 . . . . . 153 LEU CD2 . 28016 1 1666 . 1 . 1 153 153 LEU N N 15 119.836 0.05 . 1 . . . . . 153 LEU N . 28016 1 1667 . 1 . 1 154 154 ALA H H 1 7.472 0.05 . 1 . . . . . 154 ALA H . 28016 1 1668 . 1 . 1 154 154 ALA HA H 1 4.137 0.05 . 1 . . . . . 154 ALA HA . 28016 1 1669 . 1 . 1 154 154 ALA HB1 H 1 1.237 0.05 . 1 . . . . . 154 ALA MB . 28016 1 1670 . 1 . 1 154 154 ALA HB2 H 1 1.237 0.05 . 1 . . . . . 154 ALA MB . 28016 1 1671 . 1 . 1 154 154 ALA HB3 H 1 1.237 0.05 . 1 . . . . . 154 ALA MB . 28016 1 1672 . 1 . 1 154 154 ALA C C 13 176.552 0.10 . 1 . . . . . 154 ALA C . 28016 1 1673 . 1 . 1 154 154 ALA CA C 13 52.600 0.015 . 1 . . . . . 154 ALA CA . 28016 1 1674 . 1 . 1 154 154 ALA CB C 13 18.913 0.015 . 1 . . . . . 154 ALA CB . 28016 1 1675 . 1 . 1 154 154 ALA N N 15 119.364 0.05 . 1 . . . . . 154 ALA N . 28016 1 1676 . 1 . 1 155 155 HIS H H 1 7.226 0.05 . 1 . . . . . 155 HIS H . 28016 1 1677 . 1 . 1 155 155 HIS HA H 1 4.866 0.05 . 1 . . . . . 155 HIS HA . 28016 1 1678 . 1 . 1 155 155 HIS HB2 H 1 2.979 0.05 . 2 . . . . . 155 HIS HB2 . 28016 1 1679 . 1 . 1 155 155 HIS HB3 H 1 2.610 0.05 . 2 . . . . . 155 HIS HB3 . 28016 1 1680 . 1 . 1 155 155 HIS HD2 H 1 6.660 0.004 . 1 . . . . . 155 HIS HD2 . 28016 1 1681 . 1 . 1 155 155 HIS HE1 H 1 8.169 0.05 . 1 . . . . . 155 HIS HE1 . 28016 1 1682 . 1 . 1 155 155 HIS C C 13 176.928 0.10 . 1 . . . . . 155 HIS C . 28016 1 1683 . 1 . 1 155 155 HIS CA C 13 53.187 0.015 . 1 . . . . . 155 HIS CA . 28016 1 1684 . 1 . 1 155 155 HIS CB C 13 27.890 0.015 . 1 . . . . . 155 HIS CB . 28016 1 1685 . 1 . 1 155 155 HIS CD2 C 13 121.644 0.015 . 1 . . . . . 155 HIS CD2 . 28016 1 1686 . 1 . 1 155 155 HIS CE1 C 13 136.343 0.015 . 1 . . . . . 155 HIS CE1 . 28016 1 1687 . 1 . 1 155 155 HIS N N 15 115.605 0.05 . 1 . . . . . 155 HIS N . 28016 1 1688 . 1 . 1 155 155 HIS ND1 N 15 169.571 0.05 . 1 . . . . . 155 HIS ND1 . 28016 1 1689 . 1 . 1 155 155 HIS NE2 N 15 176.526 0.05 . 1 . . . . . 155 HIS NE2 . 28016 1 1690 . 1 . 1 156 156 PRO HA H 1 4.357 0.05 . 1 . . . . . 156 PRO HA . 28016 1 1691 . 1 . 1 156 156 PRO HB2 H 1 2.353 0.05 . 2 . . . . . 156 PRO HB2 . 28016 1 1692 . 1 . 1 156 156 PRO HB3 H 1 1.937 0.05 . 2 . . . . . 156 PRO HB3 . 28016 1 1693 . 1 . 1 156 156 PRO HG2 H 1 1.937 0.05 . 1 . . . . . 156 PRO HG2 . 28016 1 1694 . 1 . 1 156 156 PRO HG3 H 1 1.937 0.05 . 1 . . . . . 156 PRO HG3 . 28016 1 1695 . 1 . 1 156 156 PRO HD2 H 1 3.620 0.05 . 1 . . . . . 156 PRO HD2 . 28016 1 1696 . 1 . 1 156 156 PRO HD3 H 1 3.620 0.05 . 1 . . . . . 156 PRO HD3 . 28016 1 1697 . 1 . 1 156 156 PRO C C 13 175.916 0.10 . 1 . . . . . 156 PRO C . 28016 1 1698 . 1 . 1 156 156 PRO CA C 13 64.795 0.015 . 1 . . . . . 156 PRO CA . 28016 1 1699 . 1 . 1 156 156 PRO CB C 13 32.092 0.015 . 1 . . . . . 156 PRO CB . 28016 1 1700 . 1 . 1 156 156 PRO CG C 13 27.030 0.015 . 1 . . . . . 156 PRO CG . 28016 1 1701 . 1 . 1 156 156 PRO CD C 13 50.324 0.015 . 1 . . . . . 156 PRO CD . 28016 1 1702 . 1 . 1 157 157 ASP H H 1 8.530 0.05 . 1 . . . . . 157 ASP H . 28016 1 1703 . 1 . 1 157 157 ASP HA H 1 4.593 0.05 . 1 . . . . . 157 ASP HA . 28016 1 1704 . 1 . 1 157 157 ASP HB2 H 1 2.643 0.05 . 1 . . . . . 157 ASP HB2 . 28016 1 1705 . 1 . 1 157 157 ASP HB3 H 1 2.643 0.05 . 1 . . . . . 157 ASP HB3 . 28016 1 1706 . 1 . 1 157 157 ASP C C 13 176.710 0.10 . 1 . . . . . 157 ASP C . 28016 1 1707 . 1 . 1 157 157 ASP CA C 13 53.938 0.015 . 1 . . . . . 157 ASP CA . 28016 1 1708 . 1 . 1 157 157 ASP CB C 13 40.541 0.015 . 1 . . . . . 157 ASP CB . 28016 1 1709 . 1 . 1 157 157 ASP N N 15 113.735 0.05 . 1 . . . . . 157 ASP N . 28016 1 1710 . 1 . 1 158 158 ALA H H 1 7.850 0.05 . 1 . . . . . 158 ALA H . 28016 1 1711 . 1 . 1 158 158 ALA HA H 1 4.226 0.05 . 1 . . . . . 158 ALA HA . 28016 1 1712 . 1 . 1 158 158 ALA HB1 H 1 1.499 0.05 . 1 . . . . . 158 ALA MB . 28016 1 1713 . 1 . 1 158 158 ALA HB2 H 1 1.499 0.05 . 1 . . . . . 158 ALA MB . 28016 1 1714 . 1 . 1 158 158 ALA HB3 H 1 1.499 0.05 . 1 . . . . . 158 ALA MB . 28016 1 1715 . 1 . 1 158 158 ALA C C 13 178.175 0.10 . 1 . . . . . 158 ALA C . 28016 1 1716 . 1 . 1 158 158 ALA CA C 13 52.581 0.015 . 1 . . . . . 158 ALA CA . 28016 1 1717 . 1 . 1 158 158 ALA CB C 13 19.405 0.015 . 1 . . . . . 158 ALA CB . 28016 1 1718 . 1 . 1 158 158 ALA N N 15 124.545 0.05 . 1 . . . . . 158 ALA N . 28016 1 1719 . 1 . 1 159 159 TYR H H 1 8.856 0.05 . 1 . . . . . 159 TYR H . 28016 1 1720 . 1 . 1 159 159 TYR HA H 1 4.095 0.05 . 1 . . . . . 159 TYR HA . 28016 1 1721 . 1 . 1 159 159 TYR HB2 H 1 3.151 0.05 . 1 . . . . . 159 TYR HB2 . 28016 1 1722 . 1 . 1 159 159 TYR HB3 H 1 3.151 0.05 . 1 . . . . . 159 TYR HB3 . 28016 1 1723 . 1 . 1 159 159 TYR HD1 H 1 6.862 0.001 . 3 . . . . . 159 TYR HD1 . 28016 1 1724 . 1 . 1 159 159 TYR HD2 H 1 6.862 0.001 . 3 . . . . . 159 TYR HD2 . 28016 1 1725 . 1 . 1 159 159 TYR HE1 H 1 6.775 0.002 . 3 . . . . . 159 TYR HE1 . 28016 1 1726 . 1 . 1 159 159 TYR HE2 H 1 6.775 0.002 . 3 . . . . . 159 TYR HE2 . 28016 1 1727 . 1 . 1 159 159 TYR C C 13 173.923 0.10 . 1 . . . . . 159 TYR C . 28016 1 1728 . 1 . 1 159 159 TYR CA C 13 59.665 0.015 . 1 . . . . . 159 TYR CA . 28016 1 1729 . 1 . 1 159 159 TYR CB C 13 35.146 0.015 . 1 . . . . . 159 TYR CB . 28016 1 1730 . 1 . 1 159 159 TYR CD1 C 13 133.485 0.015 . 1 . . . . . 159 TYR CD1 . 28016 1 1731 . 1 . 1 159 159 TYR CD2 C 13 133.485 0.015 . 1 . . . . . 159 TYR CD2 . 28016 1 1732 . 1 . 1 159 159 TYR CE1 C 13 117.910 0.015 . 1 . . . . . 159 TYR CE1 . 28016 1 1733 . 1 . 1 159 159 TYR CE2 C 13 117.910 0.015 . 1 . . . . . 159 TYR CE2 . 28016 1 1734 . 1 . 1 159 159 TYR N N 15 118.196 0.05 . 1 . . . . . 159 TYR N . 28016 1 1735 . 1 . 1 160 160 CYS H H 1 7.468 0.05 . 1 . . . . . 160 CYS H . 28016 1 1736 . 1 . 1 160 160 CYS HA H 1 4.336 0.05 . 1 . . . . . 160 CYS HA . 28016 1 1737 . 1 . 1 160 160 CYS HB2 H 1 2.885 0.05 . 1 . . . . . 160 CYS HB2 . 28016 1 1738 . 1 . 1 160 160 CYS HB3 H 1 2.885 0.05 . 1 . . . . . 160 CYS HB3 . 28016 1 1739 . 1 . 1 160 160 CYS C C 13 179.370 0.10 . 1 . . . . . 160 CYS C . 28016 1 1740 . 1 . 1 160 160 CYS CA C 13 60.674 0.015 . 1 . . . . . 160 CYS CA . 28016 1 1741 . 1 . 1 160 160 CYS CB C 13 28.938 0.015 . 1 . . . . . 160 CYS CB . 28016 1 1742 . 1 . 1 160 160 CYS N N 15 120.232 0.05 . 1 . . . . . 160 CYS N . 28016 1 stop_ save_