data_25968 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25968 _Entry.Title ; NMR resonance assignments of the apple allergen Mal d 1.0101 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-01 _Entry.Accession_date 2016-02-01 _Entry.Last_release_date 2016-07-21 _Entry.Original_release_date 2016-07-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Linda Ahammer . . . . 25968 2 Martin Tollinger . . . . 25968 3 Sarina Grutsch . . . . 25968 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25968 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 614 25968 '15N chemical shifts' 152 25968 '1H chemical shifts' 914 25968 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 . . 2016-10-13 2016-02-01 update BMRB 'update entry citation' 25968 1 . . 2016-07-21 2016-02-01 original author 'original release' 25968 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25968 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27165578 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the major apple allergen Mal d 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _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 287 _Citation.Page_last 290 _Citation.Year 2016 _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 Linda Ahammer . . . . 25968 1 2 Sarina Grutsch . . . . 25968 1 3 Martin Tollinger . . . . 25968 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Mal d 1' 25968 1 allergen 25968 1 apple 25968 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25968 _Assembly.ID 1 _Assembly.Name 'Mal d 1.0101' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17519.7 _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 'Mal d 1.0101' 1 $Mal_d_1.0101 A . yes native no no . . . 25968 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mal_d_1.0101 _Entity.Sf_category entity _Entity.Sf_framecode Mal_d_1.0101 _Entity.Entry_ID 25968 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mal_d_1.0101 _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 ; GVYTFENEFTSEIPPSRLFK AFVLDADNLIPKIAPQAIKQ AEILEGNGGPGTIKKITFGE GSQYGYVKHRIDSIDEASYS YSYTLIEGDALTDTIEKISY ETKLVACGSGSTIKSISHYH TKGNIEIKEEHVKVGKEKAH GLFKLIESYLKDHPDAYN ; _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 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 25968 1 2 . VAL . 25968 1 3 . TYR . 25968 1 4 . THR . 25968 1 5 . PHE . 25968 1 6 . GLU . 25968 1 7 . ASN . 25968 1 8 . GLU . 25968 1 9 . PHE . 25968 1 10 . THR . 25968 1 11 . SER . 25968 1 12 . GLU . 25968 1 13 . ILE . 25968 1 14 . PRO . 25968 1 15 . PRO . 25968 1 16 . SER . 25968 1 17 . ARG . 25968 1 18 . LEU . 25968 1 19 . PHE . 25968 1 20 . LYS . 25968 1 21 . ALA . 25968 1 22 . PHE . 25968 1 23 . VAL . 25968 1 24 . LEU . 25968 1 25 . ASP . 25968 1 26 . ALA . 25968 1 27 . ASP . 25968 1 28 . ASN . 25968 1 29 . LEU . 25968 1 30 . ILE . 25968 1 31 . PRO . 25968 1 32 . LYS . 25968 1 33 . ILE . 25968 1 34 . ALA . 25968 1 35 . PRO . 25968 1 36 . GLN . 25968 1 37 . ALA . 25968 1 38 . ILE . 25968 1 39 . LYS . 25968 1 40 . GLN . 25968 1 41 . ALA . 25968 1 42 . GLU . 25968 1 43 . ILE . 25968 1 44 . LEU . 25968 1 45 . GLU . 25968 1 46 . GLY . 25968 1 47 . ASN . 25968 1 48 . GLY . 25968 1 49 . GLY . 25968 1 50 . PRO . 25968 1 51 . GLY . 25968 1 52 . THR . 25968 1 53 . ILE . 25968 1 54 . LYS . 25968 1 55 . LYS . 25968 1 56 . ILE . 25968 1 57 . THR . 25968 1 58 . PHE . 25968 1 59 . GLY . 25968 1 60 . GLU . 25968 1 61 . GLY . 25968 1 62 . SER . 25968 1 63 . GLN . 25968 1 64 . TYR . 25968 1 65 . GLY . 25968 1 66 . TYR . 25968 1 67 . VAL . 25968 1 68 . LYS . 25968 1 69 . HIS . 25968 1 70 . ARG . 25968 1 71 . ILE . 25968 1 72 . ASP . 25968 1 73 . SER . 25968 1 74 . ILE . 25968 1 75 . ASP . 25968 1 76 . GLU . 25968 1 77 . ALA . 25968 1 78 . SER . 25968 1 79 . TYR . 25968 1 80 . SER . 25968 1 81 . TYR . 25968 1 82 . SER . 25968 1 83 . TYR . 25968 1 84 . THR . 25968 1 85 . LEU . 25968 1 86 . ILE . 25968 1 87 . GLU . 25968 1 88 . GLY . 25968 1 89 . ASP . 25968 1 90 . ALA . 25968 1 91 . LEU . 25968 1 92 . THR . 25968 1 93 . ASP . 25968 1 94 . THR . 25968 1 95 . ILE . 25968 1 96 . GLU . 25968 1 97 . LYS . 25968 1 98 . ILE . 25968 1 99 . SER . 25968 1 100 . TYR . 25968 1 101 . GLU . 25968 1 102 . THR . 25968 1 103 . LYS . 25968 1 104 . LEU . 25968 1 105 . VAL . 25968 1 106 . ALA . 25968 1 107 . CYS . 25968 1 108 . GLY . 25968 1 109 . SER . 25968 1 110 . GLY . 25968 1 111 . SER . 25968 1 112 . THR . 25968 1 113 . ILE . 25968 1 114 . LYS . 25968 1 115 . SER . 25968 1 116 . ILE . 25968 1 117 . SER . 25968 1 118 . HIS . 25968 1 119 . TYR . 25968 1 120 . HIS . 25968 1 121 . THR . 25968 1 122 . LYS . 25968 1 123 . GLY . 25968 1 124 . ASN . 25968 1 125 . ILE . 25968 1 126 . GLU . 25968 1 127 . ILE . 25968 1 128 . LYS . 25968 1 129 . GLU . 25968 1 130 . GLU . 25968 1 131 . HIS . 25968 1 132 . VAL . 25968 1 133 . LYS . 25968 1 134 . VAL . 25968 1 135 . GLY . 25968 1 136 . LYS . 25968 1 137 . GLU . 25968 1 138 . LYS . 25968 1 139 . ALA . 25968 1 140 . HIS . 25968 1 141 . GLY . 25968 1 142 . LEU . 25968 1 143 . PHE . 25968 1 144 . LYS . 25968 1 145 . LEU . 25968 1 146 . ILE . 25968 1 147 . GLU . 25968 1 148 . SER . 25968 1 149 . TYR . 25968 1 150 . LEU . 25968 1 151 . LYS . 25968 1 152 . ASP . 25968 1 153 . HIS . 25968 1 154 . PRO . 25968 1 155 . ASP . 25968 1 156 . ALA . 25968 1 157 . TYR . 25968 1 158 . ASN . 25968 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 25968 1 . VAL 2 2 25968 1 . TYR 3 3 25968 1 . THR 4 4 25968 1 . PHE 5 5 25968 1 . GLU 6 6 25968 1 . ASN 7 7 25968 1 . GLU 8 8 25968 1 . PHE 9 9 25968 1 . THR 10 10 25968 1 . SER 11 11 25968 1 . GLU 12 12 25968 1 . ILE 13 13 25968 1 . PRO 14 14 25968 1 . PRO 15 15 25968 1 . SER 16 16 25968 1 . ARG 17 17 25968 1 . LEU 18 18 25968 1 . PHE 19 19 25968 1 . LYS 20 20 25968 1 . ALA 21 21 25968 1 . PHE 22 22 25968 1 . VAL 23 23 25968 1 . LEU 24 24 25968 1 . ASP 25 25 25968 1 . ALA 26 26 25968 1 . ASP 27 27 25968 1 . ASN 28 28 25968 1 . LEU 29 29 25968 1 . ILE 30 30 25968 1 . PRO 31 31 25968 1 . LYS 32 32 25968 1 . ILE 33 33 25968 1 . ALA 34 34 25968 1 . PRO 35 35 25968 1 . GLN 36 36 25968 1 . ALA 37 37 25968 1 . ILE 38 38 25968 1 . LYS 39 39 25968 1 . GLN 40 40 25968 1 . ALA 41 41 25968 1 . GLU 42 42 25968 1 . ILE 43 43 25968 1 . LEU 44 44 25968 1 . GLU 45 45 25968 1 . GLY 46 46 25968 1 . ASN 47 47 25968 1 . GLY 48 48 25968 1 . GLY 49 49 25968 1 . PRO 50 50 25968 1 . GLY 51 51 25968 1 . THR 52 52 25968 1 . ILE 53 53 25968 1 . LYS 54 54 25968 1 . LYS 55 55 25968 1 . ILE 56 56 25968 1 . THR 57 57 25968 1 . PHE 58 58 25968 1 . GLY 59 59 25968 1 . GLU 60 60 25968 1 . GLY 61 61 25968 1 . SER 62 62 25968 1 . GLN 63 63 25968 1 . TYR 64 64 25968 1 . GLY 65 65 25968 1 . TYR 66 66 25968 1 . VAL 67 67 25968 1 . LYS 68 68 25968 1 . HIS 69 69 25968 1 . ARG 70 70 25968 1 . ILE 71 71 25968 1 . ASP 72 72 25968 1 . SER 73 73 25968 1 . ILE 74 74 25968 1 . ASP 75 75 25968 1 . GLU 76 76 25968 1 . ALA 77 77 25968 1 . SER 78 78 25968 1 . TYR 79 79 25968 1 . SER 80 80 25968 1 . TYR 81 81 25968 1 . SER 82 82 25968 1 . TYR 83 83 25968 1 . THR 84 84 25968 1 . LEU 85 85 25968 1 . ILE 86 86 25968 1 . GLU 87 87 25968 1 . GLY 88 88 25968 1 . ASP 89 89 25968 1 . ALA 90 90 25968 1 . LEU 91 91 25968 1 . THR 92 92 25968 1 . ASP 93 93 25968 1 . THR 94 94 25968 1 . ILE 95 95 25968 1 . GLU 96 96 25968 1 . LYS 97 97 25968 1 . ILE 98 98 25968 1 . SER 99 99 25968 1 . TYR 100 100 25968 1 . GLU 101 101 25968 1 . THR 102 102 25968 1 . LYS 103 103 25968 1 . LEU 104 104 25968 1 . VAL 105 105 25968 1 . ALA 106 106 25968 1 . CYS 107 107 25968 1 . GLY 108 108 25968 1 . SER 109 109 25968 1 . GLY 110 110 25968 1 . SER 111 111 25968 1 . THR 112 112 25968 1 . ILE 113 113 25968 1 . LYS 114 114 25968 1 . SER 115 115 25968 1 . ILE 116 116 25968 1 . SER 117 117 25968 1 . HIS 118 118 25968 1 . TYR 119 119 25968 1 . HIS 120 120 25968 1 . THR 121 121 25968 1 . LYS 122 122 25968 1 . GLY 123 123 25968 1 . ASN 124 124 25968 1 . ILE 125 125 25968 1 . GLU 126 126 25968 1 . ILE 127 127 25968 1 . LYS 128 128 25968 1 . GLU 129 129 25968 1 . GLU 130 130 25968 1 . HIS 131 131 25968 1 . VAL 132 132 25968 1 . LYS 133 133 25968 1 . VAL 134 134 25968 1 . GLY 135 135 25968 1 . LYS 136 136 25968 1 . GLU 137 137 25968 1 . LYS 138 138 25968 1 . ALA 139 139 25968 1 . HIS 140 140 25968 1 . GLY 141 141 25968 1 . LEU 142 142 25968 1 . PHE 143 143 25968 1 . LYS 144 144 25968 1 . LEU 145 145 25968 1 . ILE 146 146 25968 1 . GLU 147 147 25968 1 . SER 148 148 25968 1 . TYR 149 149 25968 1 . LEU 150 150 25968 1 . LYS 151 151 25968 1 . ASP 152 152 25968 1 . HIS 153 153 25968 1 . PRO 154 154 25968 1 . ASP 155 155 25968 1 . ALA 156 156 25968 1 . TYR 157 157 25968 1 . ASN 158 158 25968 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 25968 _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 $Mal_d_1.0101 . 3750 organism . 'Malus domestica' apple . . Eukaryota Viridiplantae Malus domestica . . . . . . . . . . . . . 25968 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 25968 _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 $Mal_d_1.0101 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Star (DE3)' . . . . . pET28b . . . 25968 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25968 _Sample.ID 1 _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 'Mal d 1.0101' '[U-99% 13C; U-99% 15N]' . . 1 $Mal_d_1.0101 . . 0.65 0.5 0.8 mM . . . . 25968 1 2 'L-ascorbic acid' 'natural abundance' . . . . . . 9.1 7.0 11.2 mM . . . . 25968 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25968 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25968 _Sample_condition_list.ID 1 _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 25968 1 pressure 1 . atm 25968 1 temperature 298 . K 25968 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25968 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25968 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25968 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 25968 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25968 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25968 _NMR_spectrometer_list.ID 1 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 Varian DD2 . 500 . . . 25968 1 2 spectrometer_2 Bruker 'Avance II+' . 600 . . . 25968 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 25968 _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 . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25968 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25968 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25968 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25968 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25968 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25968 1 7 '3D (H)CC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25968 1 8 '3D H(CCCO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25968 1 9 '3D C,C-methylNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25968 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 25968 _Chem_shift_reference.ID 1 _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 . . . . . 25968 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25968 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25968 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 25968 _Assigned_chem_shift_list.ID 1 _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' . . . 25968 1 2 '2D 1H-13C HSQC' . . . 25968 1 3 '3D HNCO' . . . 25968 1 4 '3D HNCACB' . . . 25968 1 5 '3D CBCA(CO)NH' . . . 25968 1 6 '3D HCCH-TOCSY' . . . 25968 1 7 '3D (H)CC(CO)NH-TOCSY' . . . 25968 1 8 '3D H(CCCO)NH-TOCSY' . . . 25968 1 9 '3D C,C-methylNOESY' . . . 25968 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 25968 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.95675 0.05 . 1 . . . . 1 GLY HA2 . 25968 1 2 . 1 1 1 1 GLY HA3 H 1 4.09207 0.05 . 1 . . . . 1 GLY HA3 . 25968 1 3 . 1 1 1 1 GLY C C 13 172.50282 0.1 . 1 . . . . 1 GLY C . 25968 1 4 . 1 1 1 1 GLY CA C 13 45.16816 0.15 . 1 . . . . 1 GLY CA . 25968 1 5 . 1 1 2 2 VAL H H 1 7.81414 0.01 . 1 . . . . 2 VAL H . 25968 1 6 . 1 1 2 2 VAL HA H 1 4.87463 0.05 . 1 . . . . 2 VAL HA . 25968 1 7 . 1 1 2 2 VAL HB H 1 1.62658 0.05 . 1 . . . . 2 VAL HB . 25968 1 8 . 1 1 2 2 VAL HG11 H 1 0.46897 0.01 . 2 . . . . 2 VAL MG1 . 25968 1 9 . 1 1 2 2 VAL HG12 H 1 0.46897 0.01 . 2 . . . . 2 VAL MG1 . 25968 1 10 . 1 1 2 2 VAL HG13 H 1 0.46897 0.01 . 2 . . . . 2 VAL MG1 . 25968 1 11 . 1 1 2 2 VAL HG21 H 1 0.46897 0.01 . 2 . . . . 2 VAL MG2 . 25968 1 12 . 1 1 2 2 VAL HG22 H 1 0.46897 0.01 . 2 . . . . 2 VAL MG2 . 25968 1 13 . 1 1 2 2 VAL HG23 H 1 0.46897 0.01 . 2 . . . . 2 VAL MG2 . 25968 1 14 . 1 1 2 2 VAL C C 13 175.19854 0.1 . 1 . . . . 2 VAL C . 25968 1 15 . 1 1 2 2 VAL CA C 13 60.94555 0.15 . 1 . . . . 2 VAL CA . 25968 1 16 . 1 1 2 2 VAL CB C 13 33.61428 0.15 . 1 . . . . 2 VAL CB . 25968 1 17 . 1 1 2 2 VAL CG1 C 13 21.06286 0.2 . 2 . . . . 2 VAL CG1 . 25968 1 18 . 1 1 2 2 VAL CG2 C 13 21.06286 0.2 . 2 . . . . 2 VAL CG2 . 25968 1 19 . 1 1 2 2 VAL N N 15 120.84893 0.05 . 1 . . . . 2 VAL N . 25968 1 20 . 1 1 3 3 TYR H H 1 8.87306 0.01 . 1 . . . . 3 TYR H . 25968 1 21 . 1 1 3 3 TYR HA H 1 4.61487 0.05 . 1 . . . . 3 TYR HA . 25968 1 22 . 1 1 3 3 TYR HB2 H 1 3.02688 0.05 . 1 . . . . 3 TYR HB2 . 25968 1 23 . 1 1 3 3 TYR HB3 H 1 2.73887 0.05 . 1 . . . . 3 TYR HB3 . 25968 1 24 . 1 1 3 3 TYR C C 13 174.40954 0.1 . 1 . . . . 3 TYR C . 25968 1 25 . 1 1 3 3 TYR CA C 13 57.33174 0.15 . 1 . . . . 3 TYR CA . 25968 1 26 . 1 1 3 3 TYR CB C 13 41.38498 0.15 . 1 . . . . 3 TYR CB . 25968 1 27 . 1 1 3 3 TYR N N 15 127.75462 0.05 . 1 . . . . 3 TYR N . 25968 1 28 . 1 1 4 4 THR H H 1 8.45303 0.01 . 1 . . . . 4 THR H . 25968 1 29 . 1 1 4 4 THR HA H 1 5.42922 0.05 . 1 . . . . 4 THR HA . 25968 1 30 . 1 1 4 4 THR HB H 1 3.70468 0.05 . 1 . . . . 4 THR HB . 25968 1 31 . 1 1 4 4 THR HG21 H 1 1.05162 0.01 . 1 . . . . 4 THR MG . 25968 1 32 . 1 1 4 4 THR HG22 H 1 1.05162 0.01 . 1 . . . . 4 THR MG . 25968 1 33 . 1 1 4 4 THR HG23 H 1 1.05162 0.01 . 1 . . . . 4 THR MG . 25968 1 34 . 1 1 4 4 THR C C 13 173.2148 0.1 . 1 . . . . 4 THR C . 25968 1 35 . 1 1 4 4 THR CA C 13 62.16282 0.15 . 1 . . . . 4 THR CA . 25968 1 36 . 1 1 4 4 THR CB C 13 70.92925 0.15 . 1 . . . . 4 THR CB . 25968 1 37 . 1 1 4 4 THR CG2 C 13 22.39349 0.2 . 1 . . . . 4 THR CG2 . 25968 1 38 . 1 1 4 4 THR N N 15 122.92719 0.05 . 1 . . . . 4 THR N . 25968 1 39 . 1 1 5 5 PHE H H 1 9.00186 0.01 . 1 . . . . 5 PHE H . 25968 1 40 . 1 1 5 5 PHE HA H 1 4.8062 0.05 . 1 . . . . 5 PHE HA . 25968 1 41 . 1 1 5 5 PHE HB2 H 1 3.2507 0.05 . 1 . . . . 5 PHE HB2 . 25968 1 42 . 1 1 5 5 PHE HB3 H 1 2.79873 0.05 . 1 . . . . 5 PHE HB3 . 25968 1 43 . 1 1 5 5 PHE C C 13 173.97962 0.1 . 1 . . . . 5 PHE C . 25968 1 44 . 1 1 5 5 PHE CA C 13 56.90212 0.15 . 1 . . . . 5 PHE CA . 25968 1 45 . 1 1 5 5 PHE CB C 13 42.459 0.15 . 1 . . . . 5 PHE CB . 25968 1 46 . 1 1 5 5 PHE N N 15 125.35259 0.05 . 1 . . . . 5 PHE N . 25968 1 47 . 1 1 6 6 GLU H H 1 8.98165 0.01 . 1 . . . . 6 GLU H . 25968 1 48 . 1 1 6 6 GLU HA H 1 5.25546 0.05 . 1 . . . . 6 GLU HA . 25968 1 49 . 1 1 6 6 GLU HB2 H 1 1.98559 0.05 . 2 . . . . 6 GLU HB2 . 25968 1 50 . 1 1 6 6 GLU HB3 H 1 1.98559 0.05 . 2 . . . . 6 GLU HB3 . 25968 1 51 . 1 1 6 6 GLU HG2 H 1 2.10557 0.05 . 2 . . . . 6 GLU HG2 . 25968 1 52 . 1 1 6 6 GLU HG3 H 1 2.10557 0.05 . 2 . . . . 6 GLU HG3 . 25968 1 53 . 1 1 6 6 GLU C C 13 175.09214 0.1 . 1 . . . . 6 GLU C . 25968 1 54 . 1 1 6 6 GLU CA C 13 55.10405 0.15 . 1 . . . . 6 GLU CA . 25968 1 55 . 1 1 6 6 GLU CB C 13 33.43254 0.15 . 1 . . . . 6 GLU CB . 25968 1 56 . 1 1 6 6 GLU CG C 13 36.66003 0.2 . 1 . . . . 6 GLU CG . 25968 1 57 . 1 1 6 6 GLU N N 15 122.05319 0.05 . 1 . . . . 6 GLU N . 25968 1 58 . 1 1 7 7 ASN H H 1 8.8512 0.01 . 1 . . . . 7 ASN H . 25968 1 59 . 1 1 7 7 ASN HA H 1 5.099 0.05 . 1 . . . . 7 ASN HA . 25968 1 60 . 1 1 7 7 ASN HB2 H 1 2.75071 0.05 . 2 . . . . 7 ASN HB2 . 25968 1 61 . 1 1 7 7 ASN HB3 H 1 2.75071 0.05 . 2 . . . . 7 ASN HB3 . 25968 1 62 . 1 1 7 7 ASN HD21 H 1 7.07002 0.05 . 1 . . . . 7 ASN HD21 . 25968 1 63 . 1 1 7 7 ASN HD22 H 1 7.94709 0.05 . 1 . . . . 7 ASN HD22 . 25968 1 64 . 1 1 7 7 ASN C C 13 172.59959 0.1 . 1 . . . . 7 ASN C . 25968 1 65 . 1 1 7 7 ASN CA C 13 52.84749 0.15 . 1 . . . . 7 ASN CA . 25968 1 66 . 1 1 7 7 ASN CB C 13 42.8781 0.15 . 1 . . . . 7 ASN CB . 25968 1 67 . 1 1 7 7 ASN CG C 13 176.36314 0.2 . 1 . . . . 7 ASN CG . 25968 1 68 . 1 1 7 7 ASN N N 15 120.38012 0.05 . 1 . . . . 7 ASN N . 25968 1 69 . 1 1 7 7 ASN ND2 N 15 114.00768 0.05 . 1 . . . . 7 ASN ND2 . 25968 1 70 . 1 1 8 8 GLU H H 1 8.50103 0.01 . 1 . . . . 8 GLU H . 25968 1 71 . 1 1 8 8 GLU HA H 1 5.54612 0.05 . 1 . . . . 8 GLU HA . 25968 1 72 . 1 1 8 8 GLU HB2 H 1 1.88817 0.05 . 2 . . . . 8 GLU HB2 . 25968 1 73 . 1 1 8 8 GLU HB3 H 1 1.88817 0.05 . 2 . . . . 8 GLU HB3 . 25968 1 74 . 1 1 8 8 GLU HG2 H 1 2.07091 0.05 . 2 . . . . 8 GLU HG2 . 25968 1 75 . 1 1 8 8 GLU HG3 H 1 2.07091 0.05 . 2 . . . . 8 GLU HG3 . 25968 1 76 . 1 1 8 8 GLU C C 13 174.66388 0.1 . 1 . . . . 8 GLU C . 25968 1 77 . 1 1 8 8 GLU CA C 13 54.95925 0.15 . 1 . . . . 8 GLU CA . 25968 1 78 . 1 1 8 8 GLU CB C 13 33.92132 0.15 . 1 . . . . 8 GLU CB . 25968 1 79 . 1 1 8 8 GLU CG C 13 36.85836 0.2 . 1 . . . . 8 GLU CG . 25968 1 80 . 1 1 8 8 GLU N N 15 121.52735 0.05 . 1 . . . . 8 GLU N . 25968 1 81 . 1 1 9 9 PHE H H 1 8.49926 0.01 . 1 . . . . 9 PHE H . 25968 1 82 . 1 1 9 9 PHE HA H 1 4.96017 0.05 . 1 . . . . 9 PHE HA . 25968 1 83 . 1 1 9 9 PHE HB2 H 1 2.80123 0.05 . 1 . . . . 9 PHE HB2 . 25968 1 84 . 1 1 9 9 PHE HB3 H 1 3.01188 0.05 . 1 . . . . 9 PHE HB3 . 25968 1 85 . 1 1 9 9 PHE C C 13 173.65403 0.1 . 1 . . . . 9 PHE C . 25968 1 86 . 1 1 9 9 PHE CA C 13 55.67762 0.15 . 1 . . . . 9 PHE CA . 25968 1 87 . 1 1 9 9 PHE CB C 13 41.05004 0.15 . 1 . . . . 9 PHE CB . 25968 1 88 . 1 1 9 9 PHE N N 15 121.19202 0.05 . 1 . . . . 9 PHE N . 25968 1 89 . 1 1 10 10 THR H H 1 8.41198 0.01 . 1 . . . . 10 THR H . 25968 1 90 . 1 1 10 10 THR HA H 1 5.05451 0.05 . 1 . . . . 10 THR HA . 25968 1 91 . 1 1 10 10 THR HB H 1 4.12327 0.05 . 1 . . . . 10 THR HB . 25968 1 92 . 1 1 10 10 THR HG21 H 1 1.21083 0.01 . 1 . . . . 10 THR MG . 25968 1 93 . 1 1 10 10 THR HG22 H 1 1.21083 0.01 . 1 . . . . 10 THR MG . 25968 1 94 . 1 1 10 10 THR HG23 H 1 1.21083 0.01 . 1 . . . . 10 THR MG . 25968 1 95 . 1 1 10 10 THR C C 13 173.40384 0.1 . 1 . . . . 10 THR C . 25968 1 96 . 1 1 10 10 THR CA C 13 61.3819 0.15 . 1 . . . . 10 THR CA . 25968 1 97 . 1 1 10 10 THR CB C 13 71.20865 0.15 . 1 . . . . 10 THR CB . 25968 1 98 . 1 1 10 10 THR CG2 C 13 22.00294 0.2 . 1 . . . . 10 THR CG2 . 25968 1 99 . 1 1 10 10 THR N N 15 115.16127 0.05 . 1 . . . . 10 THR N . 25968 1 100 . 1 1 11 11 SER H H 1 8.94805 0.01 . 1 . . . . 11 SER H . 25968 1 101 . 1 1 11 11 SER HA H 1 5.01836 0.05 . 1 . . . . 11 SER HA . 25968 1 102 . 1 1 11 11 SER HB2 H 1 3.47464 0.05 . 2 . . . . 11 SER HB2 . 25968 1 103 . 1 1 11 11 SER HB3 H 1 3.47464 0.05 . 2 . . . . 11 SER HB3 . 25968 1 104 . 1 1 11 11 SER C C 13 175.32181 0.1 . 1 . . . . 11 SER C . 25968 1 105 . 1 1 11 11 SER CA C 13 56.04015 0.15 . 1 . . . . 11 SER CA . 25968 1 106 . 1 1 11 11 SER CB C 13 66.25722 0.15 . 1 . . . . 11 SER CB . 25968 1 107 . 1 1 11 11 SER N N 15 115.58675 0.05 . 1 . . . . 11 SER N . 25968 1 108 . 1 1 12 12 GLU H H 1 9.11847 0.01 . 1 . . . . 12 GLU H . 25968 1 109 . 1 1 12 12 GLU HA H 1 4.40348 0.05 . 1 . . . . 12 GLU HA . 25968 1 110 . 1 1 12 12 GLU HB2 H 1 1.92653 0.05 . 2 . . . . 12 GLU HB2 . 25968 1 111 . 1 1 12 12 GLU HB3 H 1 1.92653 0.05 . 2 . . . . 12 GLU HB3 . 25968 1 112 . 1 1 12 12 GLU HG2 H 1 2.28774 0.05 . 2 . . . . 12 GLU HG2 . 25968 1 113 . 1 1 12 12 GLU HG3 H 1 2.28774 0.05 . 2 . . . . 12 GLU HG3 . 25968 1 114 . 1 1 12 12 GLU C C 13 175.58877 0.1 . 1 . . . . 12 GLU C . 25968 1 115 . 1 1 12 12 GLU CA C 13 57.31128 0.15 . 1 . . . . 12 GLU CA . 25968 1 116 . 1 1 12 12 GLU CB C 13 30.88228 0.15 . 1 . . . . 12 GLU CB . 25968 1 117 . 1 1 12 12 GLU CG C 13 36.77371 0.2 . 1 . . . . 12 GLU CG . 25968 1 118 . 1 1 12 12 GLU N N 15 126.65434 0.05 . 1 . . . . 12 GLU N . 25968 1 119 . 1 1 13 13 ILE H H 1 8.59903 0.01 . 1 . . . . 13 ILE H . 25968 1 120 . 1 1 13 13 ILE HA H 1 4.55565 0.05 . 1 . . . . 13 ILE HA . 25968 1 121 . 1 1 13 13 ILE CA C 13 56.32704 0.15 . 1 . . . . 13 ILE CA . 25968 1 122 . 1 1 13 13 ILE CB C 13 36.95154 0.15 . 1 . . . . 13 ILE CB . 25968 1 123 . 1 1 13 13 ILE N N 15 122.48415 0.05 . 1 . . . . 13 ILE N . 25968 1 124 . 1 1 15 15 PRO HD2 H 1 3.85771 0.05 . 2 . . . . 15 PRO HD2 . 25968 1 125 . 1 1 15 15 PRO HD3 H 1 3.85771 0.05 . 2 . . . . 15 PRO HD3 . 25968 1 126 . 1 1 15 15 PRO C C 13 177.50901 0.1 . 1 . . . . 15 PRO C . 25968 1 127 . 1 1 15 15 PRO CA C 13 65.933 0.15 . 1 . . . . 15 PRO CA . 25968 1 128 . 1 1 15 15 PRO CB C 13 31.53433 0.15 . 1 . . . . 15 PRO CB . 25968 1 129 . 1 1 15 15 PRO CG C 13 27.13608 0.2 . 1 . . . . 15 PRO CG . 25968 1 130 . 1 1 16 16 SER H H 1 8.09776 0.01 . 1 . . . . 16 SER H . 25968 1 131 . 1 1 16 16 SER HA H 1 5.82764 0.05 . 1 . . . . 16 SER HA . 25968 1 132 . 1 1 16 16 SER HB2 H 1 4.03239 0.05 . 2 . . . . 16 SER HB2 . 25968 1 133 . 1 1 16 16 SER HB3 H 1 4.03239 0.05 . 2 . . . . 16 SER HB3 . 25968 1 134 . 1 1 16 16 SER C C 13 176.72145 0.1 . 1 . . . . 16 SER C . 25968 1 135 . 1 1 16 16 SER CA C 13 61.40391 0.15 . 1 . . . . 16 SER CA . 25968 1 136 . 1 1 16 16 SER N N 15 110.91244 0.05 . 1 . . . . 16 SER N . 25968 1 137 . 1 1 17 17 ARG H H 1 6.71326 0.01 . 1 . . . . 17 ARG H . 25968 1 138 . 1 1 17 17 ARG HA H 1 4.38641 0.05 . 1 . . . . 17 ARG HA . 25968 1 139 . 1 1 17 17 ARG HB2 H 1 1.77568 0.05 . 2 . . . . 17 ARG HB2 . 25968 1 140 . 1 1 17 17 ARG HB3 H 1 1.77568 0.05 . 2 . . . . 17 ARG HB3 . 25968 1 141 . 1 1 17 17 ARG C C 13 177.57585 0.1 . 1 . . . . 17 ARG C . 25968 1 142 . 1 1 17 17 ARG CA C 13 58.98887 0.15 . 1 . . . . 17 ARG CA . 25968 1 143 . 1 1 17 17 ARG CB C 13 31.3544 0.15 . 1 . . . . 17 ARG CB . 25968 1 144 . 1 1 17 17 ARG CG C 13 28.396 0.2 . 1 . . . . 17 ARG CG . 25968 1 145 . 1 1 17 17 ARG CD C 13 44.37731 0.2 . 1 . . . . 17 ARG CD . 25968 1 146 . 1 1 17 17 ARG N N 15 119.61224 0.05 . 1 . . . . 17 ARG N . 25968 1 147 . 1 1 18 18 LEU H H 1 7.52578 0.01 . 1 . . . . 18 LEU H . 25968 1 148 . 1 1 18 18 LEU HA H 1 3.81817 0.05 . 1 . . . . 18 LEU HA . 25968 1 149 . 1 1 18 18 LEU HB2 H 1 1.56555 0.05 . 1 . . . . 18 LEU HB2 . 25968 1 150 . 1 1 18 18 LEU HB3 H 1 1.56555 0.05 . 1 . . . . 18 LEU HB3 . 25968 1 151 . 1 1 18 18 LEU HG H 1 1.38139 0.05 . 1 . . . . 18 LEU HG . 25968 1 152 . 1 1 18 18 LEU HD11 H 1 0.78276 0.01 . 1 . . . . 18 LEU MD1 . 25968 1 153 . 1 1 18 18 LEU HD12 H 1 0.78276 0.01 . 1 . . . . 18 LEU MD1 . 25968 1 154 . 1 1 18 18 LEU HD13 H 1 0.78276 0.01 . 1 . . . . 18 LEU MD1 . 25968 1 155 . 1 1 18 18 LEU HD21 H 1 0.83553 0.01 . 1 . . . . 18 LEU MD2 . 25968 1 156 . 1 1 18 18 LEU HD22 H 1 0.83553 0.01 . 1 . . . . 18 LEU MD2 . 25968 1 157 . 1 1 18 18 LEU HD23 H 1 0.83553 0.01 . 1 . . . . 18 LEU MD2 . 25968 1 158 . 1 1 18 18 LEU C C 13 178.36141 0.1 . 1 . . . . 18 LEU C . 25968 1 159 . 1 1 18 18 LEU CA C 13 57.66871 0.15 . 1 . . . . 18 LEU CA . 25968 1 160 . 1 1 18 18 LEU CB C 13 43.00535 0.15 . 1 . . . . 18 LEU CB . 25968 1 161 . 1 1 18 18 LEU CG C 13 26.79976 0.2 . 1 . . . . 18 LEU CG . 25968 1 162 . 1 1 18 18 LEU CD1 C 13 24.08419 0.2 . 1 . . . . 18 LEU CD1 . 25968 1 163 . 1 1 18 18 LEU CD2 C 13 24.6814 0.2 . 1 . . . . 18 LEU CD2 . 25968 1 164 . 1 1 18 18 LEU N N 15 116.63109 0.05 . 1 . . . . 18 LEU N . 25968 1 165 . 1 1 19 19 PHE H H 1 9.17612 0.01 . 1 . . . . 19 PHE H . 25968 1 166 . 1 1 19 19 PHE HA H 1 3.82074 0.05 . 1 . . . . 19 PHE HA . 25968 1 167 . 1 1 19 19 PHE HB2 H 1 3.22439 0.05 . 2 . . . . 19 PHE HB2 . 25968 1 168 . 1 1 19 19 PHE HB3 H 1 3.22439 0.05 . 2 . . . . 19 PHE HB3 . 25968 1 169 . 1 1 19 19 PHE C C 13 177.92053 0.1 . 1 . . . . 19 PHE C . 25968 1 170 . 1 1 19 19 PHE CA C 13 62.6366 0.15 . 1 . . . . 19 PHE CA . 25968 1 171 . 1 1 19 19 PHE CB C 13 40.06257 0.15 . 1 . . . . 19 PHE CB . 25968 1 172 . 1 1 19 19 PHE N N 15 119.13139 0.05 . 1 . . . . 19 PHE N . 25968 1 173 . 1 1 20 20 LYS H H 1 7.6066 0.01 . 1 . . . . 20 LYS H . 25968 1 174 . 1 1 20 20 LYS HA H 1 3.79944 0.05 . 1 . . . . 20 LYS HA . 25968 1 175 . 1 1 20 20 LYS HB2 H 1 2.00827 0.05 . 2 . . . . 20 LYS HB2 . 25968 1 176 . 1 1 20 20 LYS HB3 H 1 2.00827 0.05 . 2 . . . . 20 LYS HB3 . 25968 1 177 . 1 1 20 20 LYS HG2 H 1 1.59417 0.05 . 2 . . . . 20 LYS HG2 . 25968 1 178 . 1 1 20 20 LYS HG3 H 1 1.59417 0.05 . 2 . . . . 20 LYS HG3 . 25968 1 179 . 1 1 20 20 LYS HD2 H 1 1.81915 0.05 . 2 . . . . 20 LYS HD2 . 25968 1 180 . 1 1 20 20 LYS HD3 H 1 1.81915 0.05 . 2 . . . . 20 LYS HD3 . 25968 1 181 . 1 1 20 20 LYS HE2 H 1 3.06691 0.05 . 2 . . . . 20 LYS HE2 . 25968 1 182 . 1 1 20 20 LYS HE3 H 1 3.06691 0.05 . 2 . . . . 20 LYS HE3 . 25968 1 183 . 1 1 20 20 LYS C C 13 176.53862 0.1 . 1 . . . . 20 LYS C . 25968 1 184 . 1 1 20 20 LYS CA C 13 60.33705 0.15 . 1 . . . . 20 LYS CA . 25968 1 185 . 1 1 20 20 LYS CB C 13 33.46098 0.15 . 1 . . . . 20 LYS CB . 25968 1 186 . 1 1 20 20 LYS CG C 13 26.69077 0.2 . 1 . . . . 20 LYS CG . 25968 1 187 . 1 1 20 20 LYS CD C 13 30.00026 0.2 . 1 . . . . 20 LYS CD . 25968 1 188 . 1 1 20 20 LYS CE C 13 42.31466 0.2 . 1 . . . . 20 LYS CE . 25968 1 189 . 1 1 20 20 LYS N N 15 117.23482 0.05 . 1 . . . . 20 LYS N . 25968 1 190 . 1 1 21 21 ALA H H 1 7.15201 0.01 . 1 . . . . 21 ALA H . 25968 1 191 . 1 1 21 21 ALA HA H 1 3.23211 0.05 . 1 . . . . 21 ALA HA . 25968 1 192 . 1 1 21 21 ALA HB1 H 1 0.80084 0.01 . 1 . . . . 21 ALA MB . 25968 1 193 . 1 1 21 21 ALA HB2 H 1 0.80084 0.01 . 1 . . . . 21 ALA MB . 25968 1 194 . 1 1 21 21 ALA HB3 H 1 0.80084 0.01 . 1 . . . . 21 ALA MB . 25968 1 195 . 1 1 21 21 ALA C C 13 175.34545 0.1 . 1 . . . . 21 ALA C . 25968 1 196 . 1 1 21 21 ALA CA C 13 54.52741 0.15 . 1 . . . . 21 ALA CA . 25968 1 197 . 1 1 21 21 ALA CB C 13 20.92934 0.15 . 1 . . . . 21 ALA CB . 25968 1 198 . 1 1 21 21 ALA N N 15 118.38887 0.05 . 1 . . . . 21 ALA N . 25968 1 199 . 1 1 22 22 PHE H H 1 8.29657 0.01 . 1 . . . . 22 PHE H . 25968 1 200 . 1 1 22 22 PHE HA H 1 4.25438 0.05 . 1 . . . . 22 PHE HA . 25968 1 201 . 1 1 22 22 PHE HB2 H 1 3.00919 0.05 . 1 . . . . 22 PHE HB2 . 25968 1 202 . 1 1 22 22 PHE HB3 H 1 2.88644 0.05 . 1 . . . . 22 PHE HB3 . 25968 1 203 . 1 1 22 22 PHE C C 13 173.90922 0.1 . 1 . . . . 22 PHE C . 25968 1 204 . 1 1 22 22 PHE CA C 13 57.97777 0.15 . 1 . . . . 22 PHE CA . 25968 1 205 . 1 1 22 22 PHE CB C 13 40.64665 0.15 . 1 . . . . 22 PHE CB . 25968 1 206 . 1 1 22 22 PHE N N 15 110.11076 0.05 . 1 . . . . 22 PHE N . 25968 1 207 . 1 1 23 23 VAL H H 1 7.0482 0.01 . 1 . . . . 23 VAL H . 25968 1 208 . 1 1 23 23 VAL HA H 1 3.23666 0.05 . 1 . . . . 23 VAL HA . 25968 1 209 . 1 1 23 23 VAL HB H 1 0.95705 0.05 . 1 . . . . 23 VAL HB . 25968 1 210 . 1 1 23 23 VAL HG11 H 1 -0.28563 0.01 . 1 . . . . 23 VAL MG1 . 25968 1 211 . 1 1 23 23 VAL HG12 H 1 -0.28563 0.01 . 1 . . . . 23 VAL MG1 . 25968 1 212 . 1 1 23 23 VAL HG13 H 1 -0.28563 0.01 . 1 . . . . 23 VAL MG1 . 25968 1 213 . 1 1 23 23 VAL HG21 H 1 0.17903 0.01 . 1 . . . . 23 VAL MG2 . 25968 1 214 . 1 1 23 23 VAL HG22 H 1 0.17903 0.01 . 1 . . . . 23 VAL MG2 . 25968 1 215 . 1 1 23 23 VAL HG23 H 1 0.17903 0.01 . 1 . . . . 23 VAL MG2 . 25968 1 216 . 1 1 23 23 VAL C C 13 177.6338 0.1 . 1 . . . . 23 VAL C . 25968 1 217 . 1 1 23 23 VAL CA C 13 63.86324 0.15 . 1 . . . . 23 VAL CA . 25968 1 218 . 1 1 23 23 VAL CB C 13 30.70234 0.15 . 1 . . . . 23 VAL CB . 25968 1 219 . 1 1 23 23 VAL CG1 C 13 20.42042 0.2 . 1 . . . . 23 VAL CG1 . 25968 1 220 . 1 1 23 23 VAL CG2 C 13 20.99325 0.2 . 1 . . . . 23 VAL CG2 . 25968 1 221 . 1 1 23 23 VAL N N 15 114.22724 0.05 . 1 . . . . 23 VAL N . 25968 1 222 . 1 1 24 24 LEU H H 1 7.20031 0.01 . 1 . . . . 24 LEU H . 25968 1 223 . 1 1 24 24 LEU HA H 1 3.90414 0.05 . 1 . . . . 24 LEU HA . 25968 1 224 . 1 1 24 24 LEU HB2 H 1 1.60453 0.05 . 2 . . . . 24 LEU HB2 . 25968 1 225 . 1 1 24 24 LEU HB3 H 1 1.60453 0.05 . 2 . . . . 24 LEU HB3 . 25968 1 226 . 1 1 24 24 LEU HG H 1 1.60341 0.05 . 1 . . . . 24 LEU HG . 25968 1 227 . 1 1 24 24 LEU C C 13 178.61927 0.1 . 1 . . . . 24 LEU C . 25968 1 228 . 1 1 24 24 LEU CA C 13 57.55371 0.15 . 1 . . . . 24 LEU CA . 25968 1 229 . 1 1 24 24 LEU CB C 13 40.88574 0.15 . 1 . . . . 24 LEU CB . 25968 1 230 . 1 1 24 24 LEU CG C 13 26.17013 0.2 . 1 . . . . 24 LEU CG . 25968 1 231 . 1 1 24 24 LEU CD1 C 13 22.3802 0.2 . 1 . . . . 24 LEU CD1 . 25968 1 232 . 1 1 24 24 LEU CD2 C 13 26.07984 0.2 . 1 . . . . 24 LEU CD2 . 25968 1 233 . 1 1 24 24 LEU N N 15 115.44965 0.05 . 1 . . . . 24 LEU N . 25968 1 234 . 1 1 25 25 ASP H H 1 7.60669 0.01 . 1 . . . . 25 ASP H . 25968 1 235 . 1 1 25 25 ASP HA H 1 4.59334 0.05 . 1 . . . . 25 ASP HA . 25968 1 236 . 1 1 25 25 ASP CA C 13 53.18394 0.15 . 1 . . . . 25 ASP CA . 25968 1 237 . 1 1 25 25 ASP CB C 13 43.60043 0.15 . 1 . . . . 25 ASP CB . 25968 1 238 . 1 1 25 25 ASP N N 15 116.88364 0.05 . 1 . . . . 25 ASP N . 25968 1 239 . 1 1 26 26 ALA HA H 1 3.72647 0.05 . 1 . . . . 26 ALA HA . 25968 1 240 . 1 1 26 26 ALA HB1 H 1 1.18005 0.01 . 1 . . . . 26 ALA MB . 25968 1 241 . 1 1 26 26 ALA HB2 H 1 1.18005 0.01 . 1 . . . . 26 ALA MB . 25968 1 242 . 1 1 26 26 ALA HB3 H 1 1.18005 0.01 . 1 . . . . 26 ALA MB . 25968 1 243 . 1 1 26 26 ALA C C 13 178.70652 0.1 . 1 . . . . 26 ALA C . 25968 1 244 . 1 1 26 26 ALA CA C 13 56.40535 0.15 . 1 . . . . 26 ALA CA . 25968 1 245 . 1 1 26 26 ALA CB C 13 19.36393 0.15 . 1 . . . . 26 ALA CB . 25968 1 246 . 1 1 27 27 ASP H H 1 8.20019 0.01 . 1 . . . . 27 ASP H . 25968 1 247 . 1 1 27 27 ASP HA H 1 3.97821 0.05 . 1 . . . . 27 ASP HA . 25968 1 248 . 1 1 27 27 ASP HB2 H 1 2.30253 0.05 . 2 . . . . 27 ASP HB2 . 25968 1 249 . 1 1 27 27 ASP HB3 H 1 2.30253 0.05 . 2 . . . . 27 ASP HB3 . 25968 1 250 . 1 1 27 27 ASP C C 13 175.8083 0.1 . 1 . . . . 27 ASP C . 25968 1 251 . 1 1 27 27 ASP CA C 13 56.53459 0.15 . 1 . . . . 27 ASP CA . 25968 1 252 . 1 1 27 27 ASP CB C 13 39.81198 0.15 . 1 . . . . 27 ASP CB . 25968 1 253 . 1 1 27 27 ASP N N 15 114.42226 0.05 . 1 . . . . 27 ASP N . 25968 1 254 . 1 1 28 28 ASN H H 1 7.29339 0.01 . 1 . . . . 28 ASN H . 25968 1 255 . 1 1 28 28 ASN HA H 1 4.6879 0.05 . 1 . . . . 28 ASN HA . 25968 1 256 . 1 1 28 28 ASN HB2 H 1 2.71721 0.05 . 2 . . . . 28 ASN HB2 . 25968 1 257 . 1 1 28 28 ASN HB3 H 1 2.71721 0.05 . 2 . . . . 28 ASN HB3 . 25968 1 258 . 1 1 28 28 ASN HD21 H 1 6.97843 0.05 . 1 . . . . 28 ASN HD21 . 25968 1 259 . 1 1 28 28 ASN HD22 H 1 8.26778 0.05 . 1 . . . . 28 ASN HD22 . 25968 1 260 . 1 1 28 28 ASN C C 13 176.42151 0.1 . 1 . . . . 28 ASN C . 25968 1 261 . 1 1 28 28 ASN CA C 13 53.85739 0.15 . 1 . . . . 28 ASN CA . 25968 1 262 . 1 1 28 28 ASN CB C 13 39.9607 0.15 . 1 . . . . 28 ASN CB . 25968 1 263 . 1 1 28 28 ASN CG C 13 176.52978 0.2 . 1 . . . . 28 ASN CG . 25968 1 264 . 1 1 28 28 ASN N N 15 113.04336 0.05 . 1 . . . . 28 ASN N . 25968 1 265 . 1 1 28 28 ASN ND2 N 15 116.18869 0.05 . 1 . . . . 28 ASN ND2 . 25968 1 266 . 1 1 29 29 LEU H H 1 8.27718 0.01 . 1 . . . . 29 LEU H . 25968 1 267 . 1 1 29 29 LEU CA C 13 57.62396 0.15 . 1 . . . . 29 LEU CA . 25968 1 268 . 1 1 29 29 LEU CB C 13 42.80197 0.15 . 1 . . . . 29 LEU CB . 25968 1 269 . 1 1 29 29 LEU N N 15 120.65678 0.05 . 1 . . . . 29 LEU N . 25968 1 270 . 1 1 31 31 PRO HA H 1 4.50513 0.05 . 1 . . . . 31 PRO HA . 25968 1 271 . 1 1 31 31 PRO HB2 H 1 2.31597 0.05 . 2 . . . . 31 PRO HB2 . 25968 1 272 . 1 1 31 31 PRO HB3 H 1 2.31597 0.05 . 2 . . . . 31 PRO HB3 . 25968 1 273 . 1 1 31 31 PRO C C 13 177.59816 0.1 . 1 . . . . 31 PRO C . 25968 1 274 . 1 1 31 31 PRO CA C 13 65.43163 0.15 . 1 . . . . 31 PRO CA . 25968 1 275 . 1 1 31 31 PRO CB C 13 31.10748 0.15 . 1 . . . . 31 PRO CB . 25968 1 276 . 1 1 31 31 PRO CG C 13 28.17052 0.2 . 1 . . . . 31 PRO CG . 25968 1 277 . 1 1 31 31 PRO CD C 13 50.50324 0.2 . 1 . . . . 31 PRO CD . 25968 1 278 . 1 1 32 32 LYS H H 1 6.88202 0.01 . 1 . . . . 32 LYS H . 25968 1 279 . 1 1 32 32 LYS HA H 1 4.14958 0.05 . 1 . . . . 32 LYS HA . 25968 1 280 . 1 1 32 32 LYS HB2 H 1 1.87833 0.05 . 2 . . . . 32 LYS HB2 . 25968 1 281 . 1 1 32 32 LYS HB3 H 1 1.87833 0.05 . 2 . . . . 32 LYS HB3 . 25968 1 282 . 1 1 32 32 LYS HG2 H 1 1.34723 0.05 . 2 . . . . 32 LYS HG2 . 25968 1 283 . 1 1 32 32 LYS HG3 H 1 1.34723 0.05 . 2 . . . . 32 LYS HG3 . 25968 1 284 . 1 1 32 32 LYS HD2 H 1 1.59044 0.05 . 2 . . . . 32 LYS HD2 . 25968 1 285 . 1 1 32 32 LYS HD3 H 1 1.59044 0.05 . 2 . . . . 32 LYS HD3 . 25968 1 286 . 1 1 32 32 LYS HE2 H 1 2.94421 0.05 . 2 . . . . 32 LYS HE2 . 25968 1 287 . 1 1 32 32 LYS HE3 H 1 2.94421 0.05 . 2 . . . . 32 LYS HE3 . 25968 1 288 . 1 1 32 32 LYS C C 13 178.22003 0.1 . 1 . . . . 32 LYS C . 25968 1 289 . 1 1 32 32 LYS CA C 13 58.26845 0.15 . 1 . . . . 32 LYS CA . 25968 1 290 . 1 1 32 32 LYS CB C 13 33.11557 0.15 . 1 . . . . 32 LYS CB . 25968 1 291 . 1 1 32 32 LYS CG C 13 25.02025 0.2 . 1 . . . . 32 LYS CG . 25968 1 292 . 1 1 32 32 LYS CD C 13 29.46136 0.2 . 1 . . . . 32 LYS CD . 25968 1 293 . 1 1 32 32 LYS CE C 13 41.93045 0.2 . 1 . . . . 32 LYS CE . 25968 1 294 . 1 1 32 32 LYS N N 15 112.22342 0.05 . 1 . . . . 32 LYS N . 25968 1 295 . 1 1 33 33 ILE H H 1 7.51239 0.01 . 1 . . . . 33 ILE H . 25968 1 296 . 1 1 33 33 ILE HA H 1 4.3722 0.05 . 1 . . . . 33 ILE HA . 25968 1 297 . 1 1 33 33 ILE HG21 H 1 0.62094 0.01 . 1 . . . . 33 ILE MG . 25968 1 298 . 1 1 33 33 ILE HG22 H 1 0.62094 0.01 . 1 . . . . 33 ILE MG . 25968 1 299 . 1 1 33 33 ILE HG23 H 1 0.62094 0.01 . 1 . . . . 33 ILE MG . 25968 1 300 . 1 1 33 33 ILE HD11 H 1 0.50197 0.01 . 1 . . . . 33 ILE MD . 25968 1 301 . 1 1 33 33 ILE HD12 H 1 0.50197 0.01 . 1 . . . . 33 ILE MD . 25968 1 302 . 1 1 33 33 ILE HD13 H 1 0.50197 0.01 . 1 . . . . 33 ILE MD . 25968 1 303 . 1 1 33 33 ILE C C 13 175.88078 0.1 . 1 . . . . 33 ILE C . 25968 1 304 . 1 1 33 33 ILE CA C 13 61.77065 0.15 . 1 . . . . 33 ILE CA . 25968 1 305 . 1 1 33 33 ILE CB C 13 39.63593 0.15 . 1 . . . . 33 ILE CB . 25968 1 306 . 1 1 33 33 ILE CG1 C 13 26.10908 0.2 . 1 . . . . 33 ILE CG1 . 25968 1 307 . 1 1 33 33 ILE CG2 C 13 18.64386 0.2 . 1 . . . . 33 ILE CG2 . 25968 1 308 . 1 1 33 33 ILE N N 15 111.6951 0.05 . 1 . . . . 33 ILE N . 25968 1 309 . 1 1 34 34 ALA H H 1 8.8849 0.01 . 1 . . . . 34 ALA H . 25968 1 310 . 1 1 34 34 ALA HA H 1 4.91513 0.05 . 1 . . . . 34 ALA HA . 25968 1 311 . 1 1 34 34 ALA HB1 H 1 1.18402 0.01 . 1 . . . . 34 ALA MB . 25968 1 312 . 1 1 34 34 ALA HB2 H 1 1.18402 0.01 . 1 . . . . 34 ALA MB . 25968 1 313 . 1 1 34 34 ALA HB3 H 1 1.18402 0.01 . 1 . . . . 34 ALA MB . 25968 1 314 . 1 1 34 34 ALA CA C 13 50.51575 0.15 . 1 . . . . 34 ALA CA . 25968 1 315 . 1 1 34 34 ALA CB C 13 19.69519 0.15 . 1 . . . . 34 ALA CB . 25968 1 316 . 1 1 34 34 ALA N N 15 125.23367 0.05 . 1 . . . . 34 ALA N . 25968 1 317 . 1 1 35 35 PRO HA H 1 4.68686 0.05 . 1 . . . . 35 PRO HA . 25968 1 318 . 1 1 35 35 PRO HB2 H 1 2.49627 0.05 . 2 . . . . 35 PRO HB2 . 25968 1 319 . 1 1 35 35 PRO HB3 H 1 2.49627 0.05 . 2 . . . . 35 PRO HB3 . 25968 1 320 . 1 1 35 35 PRO HG2 H 1 1.98366 0.05 . 2 . . . . 35 PRO HG2 . 25968 1 321 . 1 1 35 35 PRO HG3 H 1 1.98366 0.05 . 2 . . . . 35 PRO HG3 . 25968 1 322 . 1 1 35 35 PRO C C 13 177.68754 0.1 . 1 . . . . 35 PRO C . 25968 1 323 . 1 1 35 35 PRO CA C 13 64.37929 0.15 . 1 . . . . 35 PRO CA . 25968 1 324 . 1 1 35 35 PRO CB C 13 31.70534 0.15 . 1 . . . . 35 PRO CB . 25968 1 325 . 1 1 35 35 PRO CG C 13 27.41052 0.2 . 1 . . . . 35 PRO CG . 25968 1 326 . 1 1 35 35 PRO CD C 13 50.32236 0.2 . 1 . . . . 35 PRO CD . 25968 1 327 . 1 1 36 36 GLN H H 1 8.69577 0.01 . 1 . . . . 36 GLN H . 25968 1 328 . 1 1 36 36 GLN HA H 1 4.21667 0.05 . 1 . . . . 36 GLN HA . 25968 1 329 . 1 1 36 36 GLN HB2 H 1 2.06333 0.05 . 2 . . . . 36 GLN HB2 . 25968 1 330 . 1 1 36 36 GLN HB3 H 1 2.06333 0.05 . 2 . . . . 36 GLN HB3 . 25968 1 331 . 1 1 36 36 GLN HG2 H 1 2.47476 0.05 . 1 . . . . 36 GLN HG2 . 25968 1 332 . 1 1 36 36 GLN HG3 H 1 2.31649 0.05 . 1 . . . . 36 GLN HG3 . 25968 1 333 . 1 1 36 36 GLN HE21 H 1 7.00096 0.05 . 1 . . . . 36 GLN HE21 . 25968 1 334 . 1 1 36 36 GLN HE22 H 1 7.61693 0.05 . 1 . . . . 36 GLN HE22 . 25968 1 335 . 1 1 36 36 GLN C C 13 176.19177 0.1 . 1 . . . . 36 GLN C . 25968 1 336 . 1 1 36 36 GLN CA C 13 57.19995 0.15 . 1 . . . . 36 GLN CA . 25968 1 337 . 1 1 36 36 GLN CB C 13 27.49351 0.15 . 1 . . . . 36 GLN CB . 25968 1 338 . 1 1 36 36 GLN CG C 13 33.64613 0.2 . 1 . . . . 36 GLN CG . 25968 1 339 . 1 1 36 36 GLN CD C 13 180.99304 0.2 . 1 . . . . 36 GLN CD . 25968 1 340 . 1 1 36 36 GLN N N 15 115.86469 0.05 . 1 . . . . 36 GLN N . 25968 1 341 . 1 1 36 36 GLN NE2 N 15 111.83609 0.05 . 1 . . . . 36 GLN NE2 . 25968 1 342 . 1 1 37 37 ALA H H 1 8.06169 0.01 . 1 . . . . 37 ALA H . 25968 1 343 . 1 1 37 37 ALA HA H 1 4.38816 0.05 . 1 . . . . 37 ALA HA . 25968 1 344 . 1 1 37 37 ALA HB1 H 1 1.40473 0.01 . 1 . . . . 37 ALA MB . 25968 1 345 . 1 1 37 37 ALA HB2 H 1 1.40473 0.01 . 1 . . . . 37 ALA MB . 25968 1 346 . 1 1 37 37 ALA HB3 H 1 1.40473 0.01 . 1 . . . . 37 ALA MB . 25968 1 347 . 1 1 37 37 ALA C C 13 177.65605 0.1 . 1 . . . . 37 ALA C . 25968 1 348 . 1 1 37 37 ALA CA C 13 53.73213 0.15 . 1 . . . . 37 ALA CA . 25968 1 349 . 1 1 37 37 ALA CB C 13 19.89311 0.15 . 1 . . . . 37 ALA CB . 25968 1 350 . 1 1 37 37 ALA N N 15 123.4589 0.05 . 1 . . . . 37 ALA N . 25968 1 351 . 1 1 38 38 ILE H H 1 7.46907 0.01 . 1 . . . . 38 ILE H . 25968 1 352 . 1 1 38 38 ILE HA H 1 4.16275 0.05 . 1 . . . . 38 ILE HA . 25968 1 353 . 1 1 38 38 ILE HB H 1 2.03633 0.05 . 1 . . . . 38 ILE HB . 25968 1 354 . 1 1 38 38 ILE HG12 H 1 1.49545 0.05 . 2 . . . . 38 ILE HG12 . 25968 1 355 . 1 1 38 38 ILE HG13 H 1 1.49545 0.05 . 2 . . . . 38 ILE HG13 . 25968 1 356 . 1 1 38 38 ILE HG21 H 1 0.68593 0.01 . 1 . . . . 38 ILE MG . 25968 1 357 . 1 1 38 38 ILE HG22 H 1 0.68593 0.01 . 1 . . . . 38 ILE MG . 25968 1 358 . 1 1 38 38 ILE HG23 H 1 0.68593 0.01 . 1 . . . . 38 ILE MG . 25968 1 359 . 1 1 38 38 ILE HD11 H 1 0.73691 0.01 . 1 . . . . 38 ILE MD . 25968 1 360 . 1 1 38 38 ILE HD12 H 1 0.73691 0.01 . 1 . . . . 38 ILE MD . 25968 1 361 . 1 1 38 38 ILE HD13 H 1 0.73691 0.01 . 1 . . . . 38 ILE MD . 25968 1 362 . 1 1 38 38 ILE C C 13 172.87823 0.1 . 1 . . . . 38 ILE C . 25968 1 363 . 1 1 38 38 ILE CA C 13 61.40324 0.15 . 1 . . . . 38 ILE CA . 25968 1 364 . 1 1 38 38 ILE CB C 13 41.71647 0.15 . 1 . . . . 38 ILE CB . 25968 1 365 . 1 1 38 38 ILE CG1 C 13 27.37464 0.2 . 1 . . . . 38 ILE CG1 . 25968 1 366 . 1 1 38 38 ILE CG2 C 13 17.39463 0.2 . 1 . . . . 38 ILE CG2 . 25968 1 367 . 1 1 38 38 ILE CD1 C 13 13.94818 0.2 . 1 . . . . 38 ILE CD1 . 25968 1 368 . 1 1 38 38 ILE N N 15 116.36317 0.05 . 1 . . . . 38 ILE N . 25968 1 369 . 1 1 39 39 LYS H H 1 8.6813 0.01 . 1 . . . . 39 LYS H . 25968 1 370 . 1 1 39 39 LYS HA H 1 4.42409 0.05 . 1 . . . . 39 LYS HA . 25968 1 371 . 1 1 39 39 LYS HB2 H 1 1.73526 0.05 . 2 . . . . 39 LYS HB2 . 25968 1 372 . 1 1 39 39 LYS HB3 H 1 1.73526 0.05 . 2 . . . . 39 LYS HB3 . 25968 1 373 . 1 1 39 39 LYS HG2 H 1 1.39897 0.05 . 2 . . . . 39 LYS HG2 . 25968 1 374 . 1 1 39 39 LYS HG3 H 1 1.39897 0.05 . 2 . . . . 39 LYS HG3 . 25968 1 375 . 1 1 39 39 LYS HD2 H 1 1.60838 0.05 . 2 . . . . 39 LYS HD2 . 25968 1 376 . 1 1 39 39 LYS HD3 H 1 1.60838 0.05 . 2 . . . . 39 LYS HD3 . 25968 1 377 . 1 1 39 39 LYS HE2 H 1 2.97098 0.05 . 2 . . . . 39 LYS HE2 . 25968 1 378 . 1 1 39 39 LYS HE3 H 1 2.97098 0.05 . 2 . . . . 39 LYS HE3 . 25968 1 379 . 1 1 39 39 LYS C C 13 177.01144 0.1 . 1 . . . . 39 LYS C . 25968 1 380 . 1 1 39 39 LYS CA C 13 57.28881 0.15 . 1 . . . . 39 LYS CA . 25968 1 381 . 1 1 39 39 LYS CB C 13 34.06481 0.15 . 1 . . . . 39 LYS CB . 25968 1 382 . 1 1 39 39 LYS CG C 13 24.91284 0.2 . 1 . . . . 39 LYS CG . 25968 1 383 . 1 1 39 39 LYS CD C 13 29.3664 0.2 . 1 . . . . 39 LYS CD . 25968 1 384 . 1 1 39 39 LYS CE C 13 42.14353 0.2 . 1 . . . . 39 LYS CE . 25968 1 385 . 1 1 39 39 LYS N N 15 125.03071 0.05 . 1 . . . . 39 LYS N . 25968 1 386 . 1 1 40 40 GLN H H 1 7.59607 0.01 . 1 . . . . 40 GLN H . 25968 1 387 . 1 1 40 40 GLN HA H 1 4.42739 0.05 . 1 . . . . 40 GLN HA . 25968 1 388 . 1 1 40 40 GLN HB2 H 1 1.98865 0.05 . 1 . . . . 40 GLN HB2 . 25968 1 389 . 1 1 40 40 GLN HB3 H 1 2.16955 0.05 . 1 . . . . 40 GLN HB3 . 25968 1 390 . 1 1 40 40 GLN HG2 H 1 2.27496 0.05 . 2 . . . . 40 GLN HG2 . 25968 1 391 . 1 1 40 40 GLN HG3 H 1 2.27496 0.05 . 2 . . . . 40 GLN HG3 . 25968 1 392 . 1 1 40 40 GLN HE21 H 1 6.75803 0.05 . 1 . . . . 40 GLN HE21 . 25968 1 393 . 1 1 40 40 GLN HE22 H 1 7.27668 0.05 . 1 . . . . 40 GLN HE22 . 25968 1 394 . 1 1 40 40 GLN C C 13 172.08748 0.1 . 1 . . . . 40 GLN C . 25968 1 395 . 1 1 40 40 GLN CA C 13 55.33817 0.15 . 1 . . . . 40 GLN CA . 25968 1 396 . 1 1 40 40 GLN CB C 13 31.89843 0.15 . 1 . . . . 40 GLN CB . 25968 1 397 . 1 1 40 40 GLN CG C 13 33.59135 0.2 . 1 . . . . 40 GLN CG . 25968 1 398 . 1 1 40 40 GLN CD C 13 179.89126 0.2 . 1 . . . . 40 GLN CD . 25968 1 399 . 1 1 40 40 GLN N N 15 114.54683 0.05 . 1 . . . . 40 GLN N . 25968 1 400 . 1 1 40 40 GLN NE2 N 15 111.13801 0.05 . 1 . . . . 40 GLN NE2 . 25968 1 401 . 1 1 41 41 ALA H H 1 8.73812 0.01 . 1 . . . . 41 ALA H . 25968 1 402 . 1 1 41 41 ALA HA H 1 5.16059 0.05 . 1 . . . . 41 ALA HA . 25968 1 403 . 1 1 41 41 ALA HB1 H 1 1.15798 0.01 . 1 . . . . 41 ALA MB . 25968 1 404 . 1 1 41 41 ALA HB2 H 1 1.15798 0.01 . 1 . . . . 41 ALA MB . 25968 1 405 . 1 1 41 41 ALA HB3 H 1 1.15798 0.01 . 1 . . . . 41 ALA MB . 25968 1 406 . 1 1 41 41 ALA C C 13 175.5579 0.1 . 1 . . . . 41 ALA C . 25968 1 407 . 1 1 41 41 ALA CA C 13 51.01989 0.15 . 1 . . . . 41 ALA CA . 25968 1 408 . 1 1 41 41 ALA CB C 13 22.00435 0.15 . 1 . . . . 41 ALA CB . 25968 1 409 . 1 1 41 41 ALA N N 15 126.10554 0.05 . 1 . . . . 41 ALA N . 25968 1 410 . 1 1 42 42 GLU H H 1 8.71051 0.01 . 1 . . . . 42 GLU H . 25968 1 411 . 1 1 42 42 GLU HA H 1 4.65813 0.05 . 1 . . . . 42 GLU HA . 25968 1 412 . 1 1 42 42 GLU HB2 H 1 1.87654 0.05 . 2 . . . . 42 GLU HB2 . 25968 1 413 . 1 1 42 42 GLU HB3 H 1 1.87654 0.05 . 2 . . . . 42 GLU HB3 . 25968 1 414 . 1 1 42 42 GLU HG2 H 1 2.04749 0.05 . 2 . . . . 42 GLU HG2 . 25968 1 415 . 1 1 42 42 GLU HG3 H 1 2.04749 0.05 . 2 . . . . 42 GLU HG3 . 25968 1 416 . 1 1 42 42 GLU C C 13 174.86549 0.1 . 1 . . . . 42 GLU C . 25968 1 417 . 1 1 42 42 GLU CA C 13 54.45533 0.15 . 1 . . . . 42 GLU CA . 25968 1 418 . 1 1 42 42 GLU CB C 13 34.36586 0.15 . 1 . . . . 42 GLU CB . 25968 1 419 . 1 1 42 42 GLU CG C 13 36.46049 0.2 . 1 . . . . 42 GLU CG . 25968 1 420 . 1 1 42 42 GLU N N 15 120.81525 0.05 . 1 . . . . 42 GLU N . 25968 1 421 . 1 1 43 43 ILE H H 1 9.02812 0.01 . 1 . . . . 43 ILE H . 25968 1 422 . 1 1 43 43 ILE HA H 1 4.10714 0.05 . 1 . . . . 43 ILE HA . 25968 1 423 . 1 1 43 43 ILE HB H 1 1.84105 0.05 . 1 . . . . 43 ILE HB . 25968 1 424 . 1 1 43 43 ILE HG12 H 1 1.62668 0.05 . 2 . . . . 43 ILE HG12 . 25968 1 425 . 1 1 43 43 ILE HG13 H 1 1.62668 0.05 . 2 . . . . 43 ILE HG13 . 25968 1 426 . 1 1 43 43 ILE HG21 H 1 0.7351 0.01 . 1 . . . . 43 ILE MG . 25968 1 427 . 1 1 43 43 ILE HG22 H 1 0.7351 0.01 . 1 . . . . 43 ILE MG . 25968 1 428 . 1 1 43 43 ILE HG23 H 1 0.7351 0.01 . 1 . . . . 43 ILE MG . 25968 1 429 . 1 1 43 43 ILE HD11 H 1 0.76744 0.01 . 1 . . . . 43 ILE MD . 25968 1 430 . 1 1 43 43 ILE HD12 H 1 0.76744 0.01 . 1 . . . . 43 ILE MD . 25968 1 431 . 1 1 43 43 ILE HD13 H 1 0.76744 0.01 . 1 . . . . 43 ILE MD . 25968 1 432 . 1 1 43 43 ILE C C 13 176.20923 0.1 . 1 . . . . 43 ILE C . 25968 1 433 . 1 1 43 43 ILE CA C 13 62.01847 0.15 . 1 . . . . 43 ILE CA . 25968 1 434 . 1 1 43 43 ILE CB C 13 37.58505 0.15 . 1 . . . . 43 ILE CB . 25968 1 435 . 1 1 43 43 ILE CG1 C 13 28.6429 0.2 . 1 . . . . 43 ILE CG1 . 25968 1 436 . 1 1 43 43 ILE CG2 C 13 18.53314 0.2 . 1 . . . . 43 ILE CG2 . 25968 1 437 . 1 1 43 43 ILE CD1 C 13 12.3773 0.2 . 1 . . . . 43 ILE CD1 . 25968 1 438 . 1 1 43 43 ILE N N 15 125.30089 0.05 . 1 . . . . 43 ILE N . 25968 1 439 . 1 1 44 44 LEU H H 1 9.14568 0.01 . 1 . . . . 44 LEU H . 25968 1 440 . 1 1 44 44 LEU HA H 1 4.44722 0.05 . 1 . . . . 44 LEU HA . 25968 1 441 . 1 1 44 44 LEU HB2 H 1 1.62393 0.05 . 2 . . . . 44 LEU HB2 . 25968 1 442 . 1 1 44 44 LEU HB3 H 1 1.62393 0.05 . 2 . . . . 44 LEU HB3 . 25968 1 443 . 1 1 44 44 LEU HG H 1 1.6239 0.05 . 1 . . . . 44 LEU HG . 25968 1 444 . 1 1 44 44 LEU HD11 H 1 0.75985 0.01 . 1 . . . . 44 LEU MD1 . 25968 1 445 . 1 1 44 44 LEU HD12 H 1 0.75985 0.01 . 1 . . . . 44 LEU MD1 . 25968 1 446 . 1 1 44 44 LEU HD13 H 1 0.75985 0.01 . 1 . . . . 44 LEU MD1 . 25968 1 447 . 1 1 44 44 LEU HD21 H 1 0.8628 0.01 . 1 . . . . 44 LEU MD2 . 25968 1 448 . 1 1 44 44 LEU HD22 H 1 0.8628 0.01 . 1 . . . . 44 LEU MD2 . 25968 1 449 . 1 1 44 44 LEU HD23 H 1 0.8628 0.01 . 1 . . . . 44 LEU MD2 . 25968 1 450 . 1 1 44 44 LEU C C 13 177.21283 0.1 . 1 . . . . 44 LEU C . 25968 1 451 . 1 1 44 44 LEU CA C 13 55.85714 0.15 . 1 . . . . 44 LEU CA . 25968 1 452 . 1 1 44 44 LEU CB C 13 42.65244 0.15 . 1 . . . . 44 LEU CB . 25968 1 453 . 1 1 44 44 LEU CG C 13 26.15805 0.2 . 1 . . . . 44 LEU CG . 25968 1 454 . 1 1 44 44 LEU CD1 C 13 22.40526 0.2 . 1 . . . . 44 LEU CD1 . 25968 1 455 . 1 1 44 44 LEU CD2 C 13 26.1549 0.2 . 1 . . . . 44 LEU CD2 . 25968 1 456 . 1 1 44 44 LEU N N 15 128.85999 0.05 . 1 . . . . 44 LEU N . 25968 1 457 . 1 1 45 45 GLU H H 1 7.64188 0.01 . 1 . . . . 45 GLU H . 25968 1 458 . 1 1 45 45 GLU HA H 1 4.59561 0.05 . 1 . . . . 45 GLU HA . 25968 1 459 . 1 1 45 45 GLU HB2 H 1 1.96221 0.05 . 2 . . . . 45 GLU HB2 . 25968 1 460 . 1 1 45 45 GLU HB3 H 1 1.96221 0.05 . 2 . . . . 45 GLU HB3 . 25968 1 461 . 1 1 45 45 GLU HG2 H 1 2.18292 0.05 . 2 . . . . 45 GLU HG2 . 25968 1 462 . 1 1 45 45 GLU HG3 H 1 2.18292 0.05 . 2 . . . . 45 GLU HG3 . 25968 1 463 . 1 1 45 45 GLU C C 13 174.84077 0.1 . 1 . . . . 45 GLU C . 25968 1 464 . 1 1 45 45 GLU CA C 13 55.75892 0.15 . 1 . . . . 45 GLU CA . 25968 1 465 . 1 1 45 45 GLU CB C 13 33.63197 0.15 . 1 . . . . 45 GLU CB . 25968 1 466 . 1 1 45 45 GLU CG C 13 36.24182 0.2 . 1 . . . . 45 GLU CG . 25968 1 467 . 1 1 45 45 GLU N N 15 116.43818 0.05 . 1 . . . . 45 GLU N . 25968 1 468 . 1 1 46 46 GLY H H 1 8.5865 0.01 . 1 . . . . 46 GLY H . 25968 1 469 . 1 1 46 46 GLY HA2 H 1 4.64635 0.05 . 1 . . . . 46 GLY HA2 . 25968 1 470 . 1 1 46 46 GLY HA3 H 1 3.77802 0.05 . 1 . . . . 46 GLY HA3 . 25968 1 471 . 1 1 46 46 GLY C C 13 173.54616 0.1 . 1 . . . . 46 GLY C . 25968 1 472 . 1 1 46 46 GLY CA C 13 44.53776 0.15 . 1 . . . . 46 GLY CA . 25968 1 473 . 1 1 46 46 GLY N N 15 109.93097 0.05 . 1 . . . . 46 GLY N . 25968 1 474 . 1 1 47 47 ASN H H 1 8.25827 0.01 . 1 . . . . 47 ASN H . 25968 1 475 . 1 1 47 47 ASN HA H 1 4.91129 0.05 . 1 . . . . 47 ASN HA . 25968 1 476 . 1 1 47 47 ASN HB2 H 1 3.1047 0.05 . 1 . . . . 47 ASN HB2 . 25968 1 477 . 1 1 47 47 ASN HB3 H 1 2.81465 0.05 . 1 . . . . 47 ASN HB3 . 25968 1 478 . 1 1 47 47 ASN HD21 H 1 6.8201 0.05 . 1 . . . . 47 ASN HD21 . 25968 1 479 . 1 1 47 47 ASN HD22 H 1 7.59089 0.05 . 1 . . . . 47 ASN HD22 . 25968 1 480 . 1 1 47 47 ASN C C 13 176.20033 0.1 . 1 . . . . 47 ASN C . 25968 1 481 . 1 1 47 47 ASN CA C 13 52.35004 0.15 . 1 . . . . 47 ASN CA . 25968 1 482 . 1 1 47 47 ASN CB C 13 39.57774 0.15 . 1 . . . . 47 ASN CB . 25968 1 483 . 1 1 47 47 ASN CG C 13 177.67686 0.2 . 1 . . . . 47 ASN CG . 25968 1 484 . 1 1 47 47 ASN N N 15 113.88133 0.05 . 1 . . . . 47 ASN N . 25968 1 485 . 1 1 47 47 ASN ND2 N 15 111.34338 0.05 . 1 . . . . 47 ASN ND2 . 25968 1 486 . 1 1 48 48 GLY H H 1 8.73414 0.01 . 1 . . . . 48 GLY H . 25968 1 487 . 1 1 48 48 GLY HA2 H 1 4.71138 0.05 . 1 . . . . 48 GLY HA2 . 25968 1 488 . 1 1 48 48 GLY HA3 H 1 3.46771 0.05 . 1 . . . . 48 GLY HA3 . 25968 1 489 . 1 1 48 48 GLY C C 13 174.39098 0.1 . 1 . . . . 48 GLY C . 25968 1 490 . 1 1 48 48 GLY CA C 13 45.18923 0.15 . 1 . . . . 48 GLY CA . 25968 1 491 . 1 1 48 48 GLY N N 15 110.0489 0.05 . 1 . . . . 48 GLY N . 25968 1 492 . 1 1 49 49 GLY H H 1 8.05257 0.01 . 1 . . . . 49 GLY H . 25968 1 493 . 1 1 49 49 GLY HA2 H 1 4.80695 0.05 . 1 . . . . 49 GLY HA2 . 25968 1 494 . 1 1 49 49 GLY HA3 H 1 4.00388 0.05 . 1 . . . . 49 GLY HA3 . 25968 1 495 . 1 1 49 49 GLY CA C 13 43.75762 0.15 . 1 . . . . 49 GLY CA . 25968 1 496 . 1 1 49 49 GLY N N 15 106.09663 0.05 . 1 . . . . 49 GLY N . 25968 1 497 . 1 1 50 50 PRO HA H 1 3.99746 0.05 . 1 . . . . 50 PRO HA . 25968 1 498 . 1 1 50 50 PRO HB2 H 1 2.37694 0.05 . 2 . . . . 50 PRO HB2 . 25968 1 499 . 1 1 50 50 PRO HB3 H 1 2.37694 0.05 . 2 . . . . 50 PRO HB3 . 25968 1 500 . 1 1 50 50 PRO HG2 H 1 1.97592 0.05 . 2 . . . . 50 PRO HG2 . 25968 1 501 . 1 1 50 50 PRO HG3 H 1 1.97592 0.05 . 2 . . . . 50 PRO HG3 . 25968 1 502 . 1 1 50 50 PRO HD2 H 1 3.66662 0.05 . 2 . . . . 50 PRO HD2 . 25968 1 503 . 1 1 50 50 PRO HD3 H 1 3.66662 0.05 . 2 . . . . 50 PRO HD3 . 25968 1 504 . 1 1 50 50 PRO C C 13 176.71894 0.1 . 1 . . . . 50 PRO C . 25968 1 505 . 1 1 50 50 PRO CA C 13 64.53031 0.15 . 1 . . . . 50 PRO CA . 25968 1 506 . 1 1 50 50 PRO CB C 13 31.63956 0.15 . 1 . . . . 50 PRO CB . 25968 1 507 . 1 1 50 50 PRO CG C 13 29.07162 0.2 . 1 . . . . 50 PRO CG . 25968 1 508 . 1 1 50 50 PRO CD C 13 50.1546 0.2 . 1 . . . . 50 PRO CD . 25968 1 509 . 1 1 51 51 GLY H H 1 9.52768 0.01 . 1 . . . . 51 GLY H . 25968 1 510 . 1 1 51 51 GLY HA2 H 1 4.51864 0.05 . 1 . . . . 51 GLY HA2 . 25968 1 511 . 1 1 51 51 GLY HA3 H 1 3.53531 0.05 . 1 . . . . 51 GLY HA3 . 25968 1 512 . 1 1 51 51 GLY C C 13 174.39455 0.1 . 1 . . . . 51 GLY C . 25968 1 513 . 1 1 51 51 GLY CA C 13 44.78844 0.15 . 1 . . . . 51 GLY CA . 25968 1 514 . 1 1 51 51 GLY N N 15 114.48315 0.05 . 1 . . . . 51 GLY N . 25968 1 515 . 1 1 52 52 THR H H 1 8.00265 0.01 . 1 . . . . 52 THR H . 25968 1 516 . 1 1 52 52 THR HA H 1 4.62144 0.05 . 1 . . . . 52 THR HA . 25968 1 517 . 1 1 52 52 THR HB H 1 4.05346 0.05 . 1 . . . . 52 THR HB . 25968 1 518 . 1 1 52 52 THR HG21 H 1 1.28648 0.01 . 1 . . . . 52 THR MG . 25968 1 519 . 1 1 52 52 THR HG22 H 1 1.28648 0.01 . 1 . . . . 52 THR MG . 25968 1 520 . 1 1 52 52 THR HG23 H 1 1.28648 0.01 . 1 . . . . 52 THR MG . 25968 1 521 . 1 1 52 52 THR C C 13 173.24001 0.1 . 1 . . . . 52 THR C . 25968 1 522 . 1 1 52 52 THR CA C 13 64.52379 0.15 . 1 . . . . 52 THR CA . 25968 1 523 . 1 1 52 52 THR CB C 13 69.72724 0.15 . 1 . . . . 52 THR CB . 25968 1 524 . 1 1 52 52 THR CG2 C 13 21.13955 0.2 . 1 . . . . 52 THR CG2 . 25968 1 525 . 1 1 52 52 THR N N 15 119.26124 0.05 . 1 . . . . 52 THR N . 25968 1 526 . 1 1 53 53 ILE H H 1 8.56195 0.01 . 1 . . . . 53 ILE H . 25968 1 527 . 1 1 53 53 ILE HA H 1 5.27769 0.05 . 1 . . . . 53 ILE HA . 25968 1 528 . 1 1 53 53 ILE HB H 1 1.79685 0.05 . 1 . . . . 53 ILE HB . 25968 1 529 . 1 1 53 53 ILE HG21 H 1 0.916 0.01 . 1 . . . . 53 ILE MG . 25968 1 530 . 1 1 53 53 ILE HG22 H 1 0.916 0.01 . 1 . . . . 53 ILE MG . 25968 1 531 . 1 1 53 53 ILE HG23 H 1 0.916 0.01 . 1 . . . . 53 ILE MG . 25968 1 532 . 1 1 53 53 ILE HD11 H 1 0.85001 0.01 . 1 . . . . 53 ILE MD . 25968 1 533 . 1 1 53 53 ILE HD12 H 1 0.85001 0.01 . 1 . . . . 53 ILE MD . 25968 1 534 . 1 1 53 53 ILE HD13 H 1 0.85001 0.01 . 1 . . . . 53 ILE MD . 25968 1 535 . 1 1 53 53 ILE C C 13 175.31377 0.1 . 1 . . . . 53 ILE C . 25968 1 536 . 1 1 53 53 ILE CA C 13 59.30453 0.15 . 1 . . . . 53 ILE CA . 25968 1 537 . 1 1 53 53 ILE CB C 13 39.63737 0.15 . 1 . . . . 53 ILE CB . 25968 1 538 . 1 1 53 53 ILE CG1 C 13 27.07685 0.2 . 1 . . . . 53 ILE CG1 . 25968 1 539 . 1 1 53 53 ILE CG2 C 13 18.00071 0.2 . 1 . . . . 53 ILE CG2 . 25968 1 540 . 1 1 53 53 ILE CD1 C 13 12.00013 0.2 . 1 . . . . 53 ILE CD1 . 25968 1 541 . 1 1 53 53 ILE N N 15 125.67675 0.05 . 1 . . . . 53 ILE N . 25968 1 542 . 1 1 54 54 LYS H H 1 9.4369 0.01 . 1 . . . . 54 LYS H . 25968 1 543 . 1 1 54 54 LYS HA H 1 5.31584 0.05 . 1 . . . . 54 LYS HA . 25968 1 544 . 1 1 54 54 LYS HB2 H 1 1.54047 0.05 . 2 . . . . 54 LYS HB2 . 25968 1 545 . 1 1 54 54 LYS HB3 H 1 1.54047 0.05 . 2 . . . . 54 LYS HB3 . 25968 1 546 . 1 1 54 54 LYS HG2 H 1 1.28221 0.05 . 2 . . . . 54 LYS HG2 . 25968 1 547 . 1 1 54 54 LYS HG3 H 1 1.28221 0.05 . 2 . . . . 54 LYS HG3 . 25968 1 548 . 1 1 54 54 LYS HD2 H 1 1.54043 0.05 . 2 . . . . 54 LYS HD2 . 25968 1 549 . 1 1 54 54 LYS HD3 H 1 1.54043 0.05 . 2 . . . . 54 LYS HD3 . 25968 1 550 . 1 1 54 54 LYS C C 13 174.20646 0.1 . 1 . . . . 54 LYS C . 25968 1 551 . 1 1 54 54 LYS CA C 13 53.99569 0.15 . 1 . . . . 54 LYS CA . 25968 1 552 . 1 1 54 54 LYS CB C 13 36.71772 0.15 . 1 . . . . 54 LYS CB . 25968 1 553 . 1 1 54 54 LYS CG C 13 25.47877 0.2 . 1 . . . . 54 LYS CG . 25968 1 554 . 1 1 54 54 LYS CD C 13 29.73235 0.2 . 1 . . . . 54 LYS CD . 25968 1 555 . 1 1 54 54 LYS CE C 13 41.41615 0.2 . 1 . . . . 54 LYS CE . 25968 1 556 . 1 1 54 54 LYS N N 15 126.44686 0.05 . 1 . . . . 54 LYS N . 25968 1 557 . 1 1 55 55 LYS H H 1 9.29581 0.01 . 1 . . . . 55 LYS H . 25968 1 558 . 1 1 55 55 LYS HA H 1 5.17378 0.05 . 1 . . . . 55 LYS HA . 25968 1 559 . 1 1 55 55 LYS HB2 H 1 1.80369 0.05 . 2 . . . . 55 LYS HB2 . 25968 1 560 . 1 1 55 55 LYS HB3 H 1 1.80369 0.05 . 2 . . . . 55 LYS HB3 . 25968 1 561 . 1 1 55 55 LYS HG2 H 1 1.14378 0.05 . 2 . . . . 55 LYS HG2 . 25968 1 562 . 1 1 55 55 LYS HG3 H 1 1.14378 0.05 . 2 . . . . 55 LYS HG3 . 25968 1 563 . 1 1 55 55 LYS HD2 H 1 1.45908 0.05 . 2 . . . . 55 LYS HD2 . 25968 1 564 . 1 1 55 55 LYS HD3 H 1 1.45908 0.05 . 2 . . . . 55 LYS HD3 . 25968 1 565 . 1 1 55 55 LYS C C 13 175.09594 0.1 . 1 . . . . 55 LYS C . 25968 1 566 . 1 1 55 55 LYS CA C 13 54.73164 0.15 . 1 . . . . 55 LYS CA . 25968 1 567 . 1 1 55 55 LYS CB C 13 36.19996 0.15 . 1 . . . . 55 LYS CB . 25968 1 568 . 1 1 55 55 LYS CG C 13 25.77811 0.2 . 1 . . . . 55 LYS CG . 25968 1 569 . 1 1 55 55 LYS CD C 13 29.88061 0.2 . 1 . . . . 55 LYS CD . 25968 1 570 . 1 1 55 55 LYS CE C 13 41.65702 0.2 . 1 . . . . 55 LYS CE . 25968 1 571 . 1 1 55 55 LYS N N 15 123.49106 0.05 . 1 . . . . 55 LYS N . 25968 1 572 . 1 1 56 56 ILE H H 1 9.23218 0.01 . 1 . . . . 56 ILE H . 25968 1 573 . 1 1 56 56 ILE HA H 1 4.60154 0.05 . 1 . . . . 56 ILE HA . 25968 1 574 . 1 1 56 56 ILE HB H 1 1.58547 0.05 . 1 . . . . 56 ILE HB . 25968 1 575 . 1 1 56 56 ILE HG21 H 1 0.62103 0.01 . 1 . . . . 56 ILE MG . 25968 1 576 . 1 1 56 56 ILE HG22 H 1 0.62103 0.01 . 1 . . . . 56 ILE MG . 25968 1 577 . 1 1 56 56 ILE HG23 H 1 0.62103 0.01 . 1 . . . . 56 ILE MG . 25968 1 578 . 1 1 56 56 ILE HD11 H 1 0.46635 0.01 . 1 . . . . 56 ILE MD . 25968 1 579 . 1 1 56 56 ILE HD12 H 1 0.46635 0.01 . 1 . . . . 56 ILE MD . 25968 1 580 . 1 1 56 56 ILE HD13 H 1 0.46635 0.01 . 1 . . . . 56 ILE MD . 25968 1 581 . 1 1 56 56 ILE C C 13 174.5867 0.1 . 1 . . . . 56 ILE C . 25968 1 582 . 1 1 56 56 ILE CA C 13 60.16256 0.15 . 1 . . . . 56 ILE CA . 25968 1 583 . 1 1 56 56 ILE CB C 13 39.17718 0.15 . 1 . . . . 56 ILE CB . 25968 1 584 . 1 1 56 56 ILE CG1 C 13 27.967 0.2 . 1 . . . . 56 ILE CG1 . 25968 1 585 . 1 1 56 56 ILE CG2 C 13 18.82429 0.2 . 1 . . . . 56 ILE CG2 . 25968 1 586 . 1 1 56 56 ILE CD1 C 13 12.89956 0.2 . 1 . . . . 56 ILE CD1 . 25968 1 587 . 1 1 56 56 ILE N N 15 132.49409 0.05 . 1 . . . . 56 ILE N . 25968 1 588 . 1 1 57 57 THR H H 1 8.76265 0.01 . 1 . . . . 57 THR H . 25968 1 589 . 1 1 57 57 THR HA H 1 4.71814 0.05 . 1 . . . . 57 THR HA . 25968 1 590 . 1 1 57 57 THR HB H 1 3.98042 0.05 . 1 . . . . 57 THR HB . 25968 1 591 . 1 1 57 57 THR HG21 H 1 1.24905 0.01 . 1 . . . . 57 THR MG . 25968 1 592 . 1 1 57 57 THR HG22 H 1 1.24905 0.01 . 1 . . . . 57 THR MG . 25968 1 593 . 1 1 57 57 THR HG23 H 1 1.24905 0.01 . 1 . . . . 57 THR MG . 25968 1 594 . 1 1 57 57 THR C C 13 174.34199 0.1 . 1 . . . . 57 THR C . 25968 1 595 . 1 1 57 57 THR CA C 13 61.75259 0.15 . 1 . . . . 57 THR CA . 25968 1 596 . 1 1 57 57 THR CB C 13 70.05461 0.15 . 1 . . . . 57 THR CB . 25968 1 597 . 1 1 57 57 THR CG2 C 13 21.81486 0.2 . 1 . . . . 57 THR CG2 . 25968 1 598 . 1 1 57 57 THR N N 15 121.98069 0.05 . 1 . . . . 57 THR N . 25968 1 599 . 1 1 58 58 PHE H H 1 8.44816 0.01 . 1 . . . . 58 PHE H . 25968 1 600 . 1 1 58 58 PHE HA H 1 4.97493 0.05 . 1 . . . . 58 PHE HA . 25968 1 601 . 1 1 58 58 PHE HB2 H 1 3.29616 0.05 . 1 . . . . 58 PHE HB2 . 25968 1 602 . 1 1 58 58 PHE HB3 H 1 2.97298 0.05 . 1 . . . . 58 PHE HB3 . 25968 1 603 . 1 1 58 58 PHE C C 13 174.66336 0.1 . 1 . . . . 58 PHE C . 25968 1 604 . 1 1 58 58 PHE CA C 13 56.99302 0.15 . 1 . . . . 58 PHE CA . 25968 1 605 . 1 1 58 58 PHE CB C 13 40.78315 0.15 . 1 . . . . 58 PHE CB . 25968 1 606 . 1 1 58 58 PHE N N 15 124.54972 0.05 . 1 . . . . 58 PHE N . 25968 1 607 . 1 1 59 59 GLY H H 1 7.87491 0.01 . 1 . . . . 59 GLY H . 25968 1 608 . 1 1 59 59 GLY HA2 H 1 4.04192 0.05 . 2 . . . . 59 GLY HA2 . 25968 1 609 . 1 1 59 59 GLY HA3 H 1 4.04192 0.05 . 2 . . . . 59 GLY HA3 . 25968 1 610 . 1 1 59 59 GLY C C 13 173.46815 0.1 . 1 . . . . 59 GLY C . 25968 1 611 . 1 1 59 59 GLY CA C 13 44.80664 0.15 . 1 . . . . 59 GLY CA . 25968 1 612 . 1 1 59 59 GLY N N 15 104.9101 0.05 . 1 . . . . 59 GLY N . 25968 1 613 . 1 1 60 60 GLU H H 1 8.28549 0.01 . 1 . . . . 60 GLU H . 25968 1 614 . 1 1 60 60 GLU HA H 1 4.17108 0.05 . 1 . . . . 60 GLU HA . 25968 1 615 . 1 1 60 60 GLU HB2 H 1 1.99732 0.05 . 2 . . . . 60 GLU HB2 . 25968 1 616 . 1 1 60 60 GLU HB3 H 1 1.99732 0.05 . 2 . . . . 60 GLU HB3 . 25968 1 617 . 1 1 60 60 GLU HG2 H 1 2.24413 0.05 . 2 . . . . 60 GLU HG2 . 25968 1 618 . 1 1 60 60 GLU HG3 H 1 2.24413 0.05 . 2 . . . . 60 GLU HG3 . 25968 1 619 . 1 1 60 60 GLU C C 13 177.20646 0.1 . 1 . . . . 60 GLU C . 25968 1 620 . 1 1 60 60 GLU CA C 13 56.72585 0.15 . 1 . . . . 60 GLU CA . 25968 1 621 . 1 1 60 60 GLU CB C 13 30.98069 0.15 . 1 . . . . 60 GLU CB . 25968 1 622 . 1 1 60 60 GLU CG C 13 36.06811 0.2 . 1 . . . . 60 GLU CG . 25968 1 623 . 1 1 60 60 GLU N N 15 119.26298 0.05 . 1 . . . . 60 GLU N . 25968 1 624 . 1 1 61 61 GLY H H 1 8.88641 0.01 . 1 . . . . 61 GLY H . 25968 1 625 . 1 1 61 61 GLY HA2 H 1 4.80185 0.05 . 1 . . . . 61 GLY HA2 . 25968 1 626 . 1 1 61 61 GLY HA3 H 1 3.90906 0.05 . 1 . . . . 61 GLY HA3 . 25968 1 627 . 1 1 61 61 GLY CA C 13 46.12967 0.15 . 1 . . . . 61 GLY CA . 25968 1 628 . 1 1 61 61 GLY N N 15 111.26913 0.05 . 1 . . . . 61 GLY N . 25968 1 629 . 1 1 62 62 SER HA H 1 4.46496 0.05 . 1 . . . . 62 SER HA . 25968 1 630 . 1 1 62 62 SER HB2 H 1 3.89352 0.05 . 2 . . . . 62 SER HB2 . 25968 1 631 . 1 1 62 62 SER HB3 H 1 3.89352 0.05 . 2 . . . . 62 SER HB3 . 25968 1 632 . 1 1 62 62 SER C C 13 174.45028 0.1 . 1 . . . . 62 SER C . 25968 1 633 . 1 1 62 62 SER CA C 13 58.38632 0.15 . 1 . . . . 62 SER CA . 25968 1 634 . 1 1 62 62 SER CB C 13 63.77821 0.15 . 1 . . . . 62 SER CB . 25968 1 635 . 1 1 63 63 GLN H H 1 8.18468 0.01 . 1 . . . . 63 GLN H . 25968 1 636 . 1 1 63 63 GLN HA H 1 4.18991 0.05 . 1 . . . . 63 GLN HA . 25968 1 637 . 1 1 63 63 GLN HB2 H 1 2.15786 0.05 . 2 . . . . 63 GLN HB2 . 25968 1 638 . 1 1 63 63 GLN HB3 H 1 2.15786 0.05 . 2 . . . . 63 GLN HB3 . 25968 1 639 . 1 1 63 63 GLN HG2 H 1 2.68233 0.05 . 2 . . . . 63 GLN HG2 . 25968 1 640 . 1 1 63 63 GLN HG3 H 1 2.68233 0.05 . 2 . . . . 63 GLN HG3 . 25968 1 641 . 1 1 63 63 GLN HE21 H 1 7.47003 0.05 . 1 . . . . 63 GLN HE21 . 25968 1 642 . 1 1 63 63 GLN HE22 H 1 6.7757 0.05 . 1 . . . . 63 GLN HE22 . 25968 1 643 . 1 1 63 63 GLN C C 13 175.1419 0.1 . 1 . . . . 63 GLN C . 25968 1 644 . 1 1 63 63 GLN CA C 13 56.84933 0.15 . 1 . . . . 63 GLN CA . 25968 1 645 . 1 1 63 63 GLN CB C 13 28.71701 0.15 . 1 . . . . 63 GLN CB . 25968 1 646 . 1 1 63 63 GLN CG C 13 33.90328 0.2 . 1 . . . . 63 GLN CG . 25968 1 647 . 1 1 63 63 GLN CD C 13 180.47323 0.2 . 1 . . . . 63 GLN CD . 25968 1 648 . 1 1 63 63 GLN N N 15 121.17114 0.05 . 1 . . . . 63 GLN N . 25968 1 649 . 1 1 63 63 GLN NE2 N 15 112.16374 0.05 . 1 . . . . 63 GLN NE2 . 25968 1 650 . 1 1 64 64 TYR H H 1 7.92859 0.01 . 1 . . . . 64 TYR H . 25968 1 651 . 1 1 64 64 TYR HA H 1 4.74337 0.05 . 1 . . . . 64 TYR HA . 25968 1 652 . 1 1 64 64 TYR HB2 H 1 2.79277 0.05 . 1 . . . . 64 TYR HB2 . 25968 1 653 . 1 1 64 64 TYR HB3 H 1 2.96585 0.05 . 1 . . . . 64 TYR HB3 . 25968 1 654 . 1 1 64 64 TYR C C 13 175.83215 0.1 . 1 . . . . 64 TYR C . 25968 1 655 . 1 1 64 64 TYR CA C 13 57.25186 0.15 . 1 . . . . 64 TYR CA . 25968 1 656 . 1 1 64 64 TYR CB C 13 38.99432 0.15 . 1 . . . . 64 TYR CB . 25968 1 657 . 1 1 64 64 TYR N N 15 118.23858 0.05 . 1 . . . . 64 TYR N . 25968 1 658 . 1 1 65 65 GLY H H 1 8.3003 0.01 . 1 . . . . 65 GLY H . 25968 1 659 . 1 1 65 65 GLY HA2 H 1 3.94526 0.05 . 1 . . . . 65 GLY HA2 . 25968 1 660 . 1 1 65 65 GLY HA3 H 1 3.94468 0.05 . 1 . . . . 65 GLY HA3 . 25968 1 661 . 1 1 65 65 GLY C C 13 171.74176 0.1 . 1 . . . . 65 GLY C . 25968 1 662 . 1 1 65 65 GLY CA C 13 45.44666 0.15 . 1 . . . . 65 GLY CA . 25968 1 663 . 1 1 65 65 GLY N N 15 110.52982 0.05 . 1 . . . . 65 GLY N . 25968 1 664 . 1 1 66 66 TYR H H 1 8.00717 0.01 . 1 . . . . 66 TYR H . 25968 1 665 . 1 1 66 66 TYR HA H 1 5.55712 0.05 . 1 . . . . 66 TYR HA . 25968 1 666 . 1 1 66 66 TYR HB2 H 1 2.95096 0.05 . 1 . . . . 66 TYR HB2 . 25968 1 667 . 1 1 66 66 TYR HB3 H 1 2.85797 0.05 . 1 . . . . 66 TYR HB3 . 25968 1 668 . 1 1 66 66 TYR C C 13 174.34029 0.1 . 1 . . . . 66 TYR C . 25968 1 669 . 1 1 66 66 TYR CA C 13 56.14728 0.15 . 1 . . . . 66 TYR CA . 25968 1 670 . 1 1 66 66 TYR CB C 13 41.67905 0.15 . 1 . . . . 66 TYR CB . 25968 1 671 . 1 1 66 66 TYR N N 15 115.42564 0.05 . 1 . . . . 66 TYR N . 25968 1 672 . 1 1 67 67 VAL H H 1 8.8142 0.01 . 1 . . . . 67 VAL H . 25968 1 673 . 1 1 67 67 VAL HA H 1 4.9414 0.05 . 1 . . . . 67 VAL HA . 25968 1 674 . 1 1 67 67 VAL HB H 1 1.98315 0.05 . 1 . . . . 67 VAL HB . 25968 1 675 . 1 1 67 67 VAL HG11 H 1 0.75744 0.01 . 1 . . . . 67 VAL MG1 . 25968 1 676 . 1 1 67 67 VAL HG12 H 1 0.75744 0.01 . 1 . . . . 67 VAL MG1 . 25968 1 677 . 1 1 67 67 VAL HG13 H 1 0.75744 0.01 . 1 . . . . 67 VAL MG1 . 25968 1 678 . 1 1 67 67 VAL HG21 H 1 1.2016 0.01 . 1 . . . . 67 VAL MG2 . 25968 1 679 . 1 1 67 67 VAL HG22 H 1 1.2016 0.01 . 1 . . . . 67 VAL MG2 . 25968 1 680 . 1 1 67 67 VAL HG23 H 1 1.2016 0.01 . 1 . . . . 67 VAL MG2 . 25968 1 681 . 1 1 67 67 VAL C C 13 175.48053 0.1 . 1 . . . . 67 VAL C . 25968 1 682 . 1 1 67 67 VAL CA C 13 59.57686 0.15 . 1 . . . . 67 VAL CA . 25968 1 683 . 1 1 67 67 VAL CB C 13 36.60685 0.15 . 1 . . . . 67 VAL CB . 25968 1 684 . 1 1 67 67 VAL CG1 C 13 19.38097 0.2 . 1 . . . . 67 VAL CG1 . 25968 1 685 . 1 1 67 67 VAL CG2 C 13 23.79181 0.2 . 1 . . . . 67 VAL CG2 . 25968 1 686 . 1 1 67 67 VAL N N 15 112.41276 0.05 . 1 . . . . 67 VAL N . 25968 1 687 . 1 1 68 68 LYS H H 1 8.6943 0.01 . 1 . . . . 68 LYS H . 25968 1 688 . 1 1 68 68 LYS HA H 1 5.67958 0.05 . 1 . . . . 68 LYS HA . 25968 1 689 . 1 1 68 68 LYS HB2 H 1 1.71425 0.05 . 2 . . . . 68 LYS HB2 . 25968 1 690 . 1 1 68 68 LYS HB3 H 1 1.71425 0.05 . 2 . . . . 68 LYS HB3 . 25968 1 691 . 1 1 68 68 LYS C C 13 175.5378 0.1 . 1 . . . . 68 LYS C . 25968 1 692 . 1 1 68 68 LYS CA C 13 55.35371 0.15 . 1 . . . . 68 LYS CA . 25968 1 693 . 1 1 68 68 LYS CB C 13 36.46074 0.15 . 1 . . . . 68 LYS CB . 25968 1 694 . 1 1 68 68 LYS CG C 13 26.52242 0.2 . 1 . . . . 68 LYS CG . 25968 1 695 . 1 1 68 68 LYS CD C 13 29.87451 0.2 . 1 . . . . 68 LYS CD . 25968 1 696 . 1 1 68 68 LYS CE C 13 41.76231 0.2 . 1 . . . . 68 LYS CE . 25968 1 697 . 1 1 68 68 LYS N N 15 118.83207 0.05 . 1 . . . . 68 LYS N . 25968 1 698 . 1 1 69 69 HIS H H 1 9.09493 0.01 . 1 . . . . 69 HIS H . 25968 1 699 . 1 1 69 69 HIS HA H 1 5.89451 0.05 . 1 . . . . 69 HIS HA . 25968 1 700 . 1 1 69 69 HIS HB2 H 1 2.83269 0.05 . 2 . . . . 69 HIS HB2 . 25968 1 701 . 1 1 69 69 HIS HB3 H 1 2.83269 0.05 . 2 . . . . 69 HIS HB3 . 25968 1 702 . 1 1 69 69 HIS C C 13 174.00196 0.1 . 1 . . . . 69 HIS C . 25968 1 703 . 1 1 69 69 HIS CA C 13 52.19714 0.15 . 1 . . . . 69 HIS CA . 25968 1 704 . 1 1 69 69 HIS CB C 13 36.30942 0.15 . 1 . . . . 69 HIS CB . 25968 1 705 . 1 1 69 69 HIS N N 15 122.5647 0.05 . 1 . . . . 69 HIS N . 25968 1 706 . 1 1 70 70 ARG H H 1 9.65905 0.01 . 1 . . . . 70 ARG H . 25968 1 707 . 1 1 70 70 ARG HA H 1 5.60505 0.05 . 1 . . . . 70 ARG HA . 25968 1 708 . 1 1 70 70 ARG HB2 H 1 1.97994 0.05 . 2 . . . . 70 ARG HB2 . 25968 1 709 . 1 1 70 70 ARG HB3 H 1 1.97994 0.05 . 2 . . . . 70 ARG HB3 . 25968 1 710 . 1 1 70 70 ARG HG2 H 1 1.49872 0.05 . 2 . . . . 70 ARG HG2 . 25968 1 711 . 1 1 70 70 ARG HG3 H 1 1.49872 0.05 . 2 . . . . 70 ARG HG3 . 25968 1 712 . 1 1 70 70 ARG C C 13 175.96607 0.1 . 1 . . . . 70 ARG C . 25968 1 713 . 1 1 70 70 ARG CA C 13 53.25507 0.15 . 1 . . . . 70 ARG CA . 25968 1 714 . 1 1 70 70 ARG CB C 13 33.90447 0.15 . 1 . . . . 70 ARG CB . 25968 1 715 . 1 1 70 70 ARG CG C 13 26.80714 0.2 . 1 . . . . 70 ARG CG . 25968 1 716 . 1 1 70 70 ARG CD C 13 43.31072 0.2 . 1 . . . . 70 ARG CD . 25968 1 717 . 1 1 70 70 ARG N N 15 123.14949 0.05 . 1 . . . . 70 ARG N . 25968 1 718 . 1 1 71 71 ILE H H 1 9.27599 0.01 . 1 . . . . 71 ILE H . 25968 1 719 . 1 1 71 71 ILE HA H 1 3.97205 0.05 . 1 . . . . 71 ILE HA . 25968 1 720 . 1 1 71 71 ILE HB H 1 2.12466 0.05 . 1 . . . . 71 ILE HB . 25968 1 721 . 1 1 71 71 ILE HG21 H 1 0.95439 0.01 . 1 . . . . 71 ILE MG . 25968 1 722 . 1 1 71 71 ILE HG22 H 1 0.95439 0.01 . 1 . . . . 71 ILE MG . 25968 1 723 . 1 1 71 71 ILE HG23 H 1 0.95439 0.01 . 1 . . . . 71 ILE MG . 25968 1 724 . 1 1 71 71 ILE HD11 H 1 0.89369 0.01 . 1 . . . . 71 ILE MD . 25968 1 725 . 1 1 71 71 ILE HD12 H 1 0.89369 0.01 . 1 . . . . 71 ILE MD . 25968 1 726 . 1 1 71 71 ILE HD13 H 1 0.89369 0.01 . 1 . . . . 71 ILE MD . 25968 1 727 . 1 1 71 71 ILE C C 13 174.96632 0.1 . 1 . . . . 71 ILE C . 25968 1 728 . 1 1 71 71 ILE CA C 13 62.46693 0.15 . 1 . . . . 71 ILE CA . 25968 1 729 . 1 1 71 71 ILE CB C 13 37.25143 0.15 . 1 . . . . 71 ILE CB . 25968 1 730 . 1 1 71 71 ILE CG1 C 13 27.62936 0.2 . 1 . . . . 71 ILE CG1 . 25968 1 731 . 1 1 71 71 ILE CG2 C 13 17.40074 0.2 . 1 . . . . 71 ILE CG2 . 25968 1 732 . 1 1 71 71 ILE CD1 C 13 12.22494 0.2 . 1 . . . . 71 ILE CD1 . 25968 1 733 . 1 1 71 71 ILE N N 15 126.92508 0.05 . 1 . . . . 71 ILE N . 25968 1 734 . 1 1 72 72 ASP H H 1 9.19006 0.01 . 1 . . . . 72 ASP H . 25968 1 735 . 1 1 72 72 ASP HA H 1 5.03309 0.05 . 1 . . . . 72 ASP HA . 25968 1 736 . 1 1 72 72 ASP HB2 H 1 2.63798 0.05 . 1 . . . . 72 ASP HB2 . 25968 1 737 . 1 1 72 72 ASP HB3 H 1 2.42452 0.05 . 1 . . . . 72 ASP HB3 . 25968 1 738 . 1 1 72 72 ASP C C 13 176.23056 0.1 . 1 . . . . 72 ASP C . 25968 1 739 . 1 1 72 72 ASP CA C 13 56.27978 0.15 . 1 . . . . 72 ASP CA . 25968 1 740 . 1 1 72 72 ASP CB C 13 42.79899 0.15 . 1 . . . . 72 ASP CB . 25968 1 741 . 1 1 72 72 ASP N N 15 130.59357 0.05 . 1 . . . . 72 ASP N . 25968 1 742 . 1 1 73 73 SER H H 1 8.22282 0.01 . 1 . . . . 73 SER H . 25968 1 743 . 1 1 73 73 SER HA H 1 4.62934 0.05 . 1 . . . . 73 SER HA . 25968 1 744 . 1 1 73 73 SER HB2 H 1 3.81305 0.05 . 2 . . . . 73 SER HB2 . 25968 1 745 . 1 1 73 73 SER HB3 H 1 3.81305 0.05 . 2 . . . . 73 SER HB3 . 25968 1 746 . 1 1 73 73 SER C C 13 172.14536 0.1 . 1 . . . . 73 SER C . 25968 1 747 . 1 1 73 73 SER CA C 13 58.35635 0.15 . 1 . . . . 73 SER CA . 25968 1 748 . 1 1 73 73 SER CB C 13 64.7981 0.15 . 1 . . . . 73 SER CB . 25968 1 749 . 1 1 73 73 SER N N 15 113.07956 0.05 . 1 . . . . 73 SER N . 25968 1 750 . 1 1 74 74 ILE H H 1 8.61866 0.01 . 1 . . . . 74 ILE H . 25968 1 751 . 1 1 74 74 ILE HA H 1 4.75938 0.05 . 1 . . . . 74 ILE HA . 25968 1 752 . 1 1 74 74 ILE HB H 1 2.04615 0.05 . 1 . . . . 74 ILE HB . 25968 1 753 . 1 1 74 74 ILE HG12 H 1 1.32968 0.05 . 2 . . . . 74 ILE HG12 . 25968 1 754 . 1 1 74 74 ILE HG13 H 1 1.32968 0.05 . 2 . . . . 74 ILE HG13 . 25968 1 755 . 1 1 74 74 ILE HG21 H 1 1.13126 0.01 . 1 . . . . 74 ILE MG . 25968 1 756 . 1 1 74 74 ILE HG22 H 1 1.13126 0.01 . 1 . . . . 74 ILE MG . 25968 1 757 . 1 1 74 74 ILE HG23 H 1 1.13126 0.01 . 1 . . . . 74 ILE MG . 25968 1 758 . 1 1 74 74 ILE HD11 H 1 0.98473 0.01 . 1 . . . . 74 ILE MD . 25968 1 759 . 1 1 74 74 ILE HD12 H 1 0.98473 0.01 . 1 . . . . 74 ILE MD . 25968 1 760 . 1 1 74 74 ILE HD13 H 1 0.98473 0.01 . 1 . . . . 74 ILE MD . 25968 1 761 . 1 1 74 74 ILE C C 13 174.02507 0.1 . 1 . . . . 74 ILE C . 25968 1 762 . 1 1 74 74 ILE CA C 13 62.20971 0.15 . 1 . . . . 74 ILE CA . 25968 1 763 . 1 1 74 74 ILE CB C 13 41.57594 0.15 . 1 . . . . 74 ILE CB . 25968 1 764 . 1 1 74 74 ILE CG1 C 13 28.61878 0.2 . 1 . . . . 74 ILE CG1 . 25968 1 765 . 1 1 74 74 ILE CG2 C 13 17.37371 0.2 . 1 . . . . 74 ILE CG2 . 25968 1 766 . 1 1 74 74 ILE CD1 C 13 14.70921 0.2 . 1 . . . . 74 ILE CD1 . 25968 1 767 . 1 1 74 74 ILE N N 15 122.21027 0.05 . 1 . . . . 74 ILE N . 25968 1 768 . 1 1 75 75 ASP H H 1 9.08944 0.01 . 1 . . . . 75 ASP H . 25968 1 769 . 1 1 75 75 ASP HA H 1 5.08361 0.05 . 1 . . . . 75 ASP HA . 25968 1 770 . 1 1 75 75 ASP HB2 H 1 2.86788 0.05 . 1 . . . . 75 ASP HB2 . 25968 1 771 . 1 1 75 75 ASP HB3 H 1 2.51134 0.05 . 1 . . . . 75 ASP HB3 . 25968 1 772 . 1 1 75 75 ASP C C 13 175.39373 0.1 . 1 . . . . 75 ASP C . 25968 1 773 . 1 1 75 75 ASP CA C 13 52.96339 0.15 . 1 . . . . 75 ASP CA . 25968 1 774 . 1 1 75 75 ASP CB C 13 42.28373 0.15 . 1 . . . . 75 ASP CB . 25968 1 775 . 1 1 75 75 ASP N N 15 126.89799 0.05 . 1 . . . . 75 ASP N . 25968 1 776 . 1 1 76 76 GLU H H 1 9.30551 0.01 . 1 . . . . 76 GLU H . 25968 1 777 . 1 1 76 76 GLU HA H 1 3.34484 0.05 . 1 . . . . 76 GLU HA . 25968 1 778 . 1 1 76 76 GLU HB2 H 1 2.00753 0.05 . 2 . . . . 76 GLU HB2 . 25968 1 779 . 1 1 76 76 GLU HB3 H 1 2.00753 0.05 . 2 . . . . 76 GLU HB3 . 25968 1 780 . 1 1 76 76 GLU HG2 H 1 2.19254 0.05 . 2 . . . . 76 GLU HG2 . 25968 1 781 . 1 1 76 76 GLU HG3 H 1 2.19254 0.05 . 2 . . . . 76 GLU HG3 . 25968 1 782 . 1 1 76 76 GLU C C 13 177.69422 0.1 . 1 . . . . 76 GLU C . 25968 1 783 . 1 1 76 76 GLU CA C 13 59.22234 0.15 . 1 . . . . 76 GLU CA . 25968 1 784 . 1 1 76 76 GLU CB C 13 29.71135 0.15 . 1 . . . . 76 GLU CB . 25968 1 785 . 1 1 76 76 GLU CG C 13 36.69445 0.2 . 1 . . . . 76 GLU CG . 25968 1 786 . 1 1 76 76 GLU N N 15 127.19611 0.05 . 1 . . . . 76 GLU N . 25968 1 787 . 1 1 77 77 ALA H H 1 8.07223 0.01 . 1 . . . . 77 ALA H . 25968 1 788 . 1 1 77 77 ALA HA H 1 3.84221 0.05 . 1 . . . . 77 ALA HA . 25968 1 789 . 1 1 77 77 ALA HB1 H 1 1.38585 0.01 . 1 . . . . 77 ALA MB . 25968 1 790 . 1 1 77 77 ALA HB2 H 1 1.38585 0.01 . 1 . . . . 77 ALA MB . 25968 1 791 . 1 1 77 77 ALA HB3 H 1 1.38585 0.01 . 1 . . . . 77 ALA MB . 25968 1 792 . 1 1 77 77 ALA C C 13 178.14656 0.1 . 1 . . . . 77 ALA C . 25968 1 793 . 1 1 77 77 ALA CA C 13 54.27232 0.15 . 1 . . . . 77 ALA CA . 25968 1 794 . 1 1 77 77 ALA CB C 13 18.39719 0.15 . 1 . . . . 77 ALA CB . 25968 1 795 . 1 1 77 77 ALA N N 15 119.6673 0.05 . 1 . . . . 77 ALA N . 25968 1 796 . 1 1 78 78 SER H H 1 7.02301 0.01 . 1 . . . . 78 SER H . 25968 1 797 . 1 1 78 78 SER HA H 1 4.34923 0.05 . 1 . . . . 78 SER HA . 25968 1 798 . 1 1 78 78 SER HB2 H 1 3.90166 0.05 . 1 . . . . 78 SER HB2 . 25968 1 799 . 1 1 78 78 SER HB3 H 1 3.70453 0.05 . 1 . . . . 78 SER HB3 . 25968 1 800 . 1 1 78 78 SER C C 13 173.01492 0.1 . 1 . . . . 78 SER C . 25968 1 801 . 1 1 78 78 SER CA C 13 56.69612 0.15 . 1 . . . . 78 SER CA . 25968 1 802 . 1 1 78 78 SER CB C 13 64.00283 0.15 . 1 . . . . 78 SER CB . 25968 1 803 . 1 1 78 78 SER N N 15 109.23446 0.05 . 1 . . . . 78 SER N . 25968 1 804 . 1 1 79 79 TYR H H 1 7.15353 0.01 . 1 . . . . 79 TYR H . 25968 1 805 . 1 1 79 79 TYR HA H 1 3.65736 0.05 . 1 . . . . 79 TYR HA . 25968 1 806 . 1 1 79 79 TYR HB2 H 1 3.06426 0.05 . 1 . . . . 79 TYR HB2 . 25968 1 807 . 1 1 79 79 TYR HB3 H 1 2.83728 0.05 . 1 . . . . 79 TYR HB3 . 25968 1 808 . 1 1 79 79 TYR C C 13 173.88144 0.1 . 1 . . . . 79 TYR C . 25968 1 809 . 1 1 79 79 TYR CA C 13 57.65415 0.15 . 1 . . . . 79 TYR CA . 25968 1 810 . 1 1 79 79 TYR CB C 13 36.55848 0.15 . 1 . . . . 79 TYR CB . 25968 1 811 . 1 1 79 79 TYR N N 15 119.91996 0.05 . 1 . . . . 79 TYR N . 25968 1 812 . 1 1 80 80 SER H H 1 8.1088 0.01 . 1 . . . . 80 SER H . 25968 1 813 . 1 1 80 80 SER HA H 1 5.82872 0.05 . 1 . . . . 80 SER HA . 25968 1 814 . 1 1 80 80 SER HB2 H 1 3.85218 0.05 . 2 . . . . 80 SER HB2 . 25968 1 815 . 1 1 80 80 SER HB3 H 1 3.85218 0.05 . 2 . . . . 80 SER HB3 . 25968 1 816 . 1 1 80 80 SER C C 13 173.18701 0.1 . 1 . . . . 80 SER C . 25968 1 817 . 1 1 80 80 SER CA C 13 57.20214 0.15 . 1 . . . . 80 SER CA . 25968 1 818 . 1 1 80 80 SER CB C 13 66.5233 0.15 . 1 . . . . 80 SER CB . 25968 1 819 . 1 1 80 80 SER N N 15 111.07744 0.05 . 1 . . . . 80 SER N . 25968 1 820 . 1 1 81 81 TYR H H 1 9.0243 0.01 . 1 . . . . 81 TYR H . 25968 1 821 . 1 1 81 81 TYR HA H 1 5.52374 0.05 . 1 . . . . 81 TYR HA . 25968 1 822 . 1 1 81 81 TYR HB2 H 1 2.9044 0.05 . 1 . . . . 81 TYR HB2 . 25968 1 823 . 1 1 81 81 TYR HB3 H 1 3.31367 0.05 . 1 . . . . 81 TYR HB3 . 25968 1 824 . 1 1 81 81 TYR C C 13 173.71503 0.1 . 1 . . . . 81 TYR C . 25968 1 825 . 1 1 81 81 TYR CA C 13 56.12357 0.15 . 1 . . . . 81 TYR CA . 25968 1 826 . 1 1 81 81 TYR CB C 13 42.9308 0.15 . 1 . . . . 81 TYR CB . 25968 1 827 . 1 1 81 81 TYR N N 15 125.39971 0.05 . 1 . . . . 81 TYR N . 25968 1 828 . 1 1 82 82 SER H H 1 9.29833 0.01 . 1 . . . . 82 SER H . 25968 1 829 . 1 1 82 82 SER HA H 1 5.52534 0.05 . 1 . . . . 82 SER HA . 25968 1 830 . 1 1 82 82 SER HB2 H 1 4.12967 0.05 . 2 . . . . 82 SER HB2 . 25968 1 831 . 1 1 82 82 SER HB3 H 1 4.12967 0.05 . 2 . . . . 82 SER HB3 . 25968 1 832 . 1 1 82 82 SER C C 13 172.93443 0.1 . 1 . . . . 82 SER C . 25968 1 833 . 1 1 82 82 SER CA C 13 56.79324 0.15 . 1 . . . . 82 SER CA . 25968 1 834 . 1 1 82 82 SER CB C 13 65.90832 0.15 . 1 . . . . 82 SER CB . 25968 1 835 . 1 1 82 82 SER N N 15 122.95539 0.05 . 1 . . . . 82 SER N . 25968 1 836 . 1 1 83 83 TYR H H 1 8.54422 0.01 . 1 . . . . 83 TYR H . 25968 1 837 . 1 1 83 83 TYR HA H 1 5.37844 0.05 . 1 . . . . 83 TYR HA . 25968 1 838 . 1 1 83 83 TYR HB2 H 1 2.71878 0.05 . 2 . . . . 83 TYR HB2 . 25968 1 839 . 1 1 83 83 TYR HB3 H 1 2.71878 0.05 . 2 . . . . 83 TYR HB3 . 25968 1 840 . 1 1 83 83 TYR C C 13 172.41826 0.1 . 1 . . . . 83 TYR C . 25968 1 841 . 1 1 83 83 TYR CA C 13 56.75304 0.15 . 1 . . . . 83 TYR CA . 25968 1 842 . 1 1 83 83 TYR CB C 13 40.76192 0.15 . 1 . . . . 83 TYR CB . 25968 1 843 . 1 1 83 83 TYR N N 15 121.38887 0.05 . 1 . . . . 83 TYR N . 25968 1 844 . 1 1 84 84 THR H H 1 9.48269 0.01 . 1 . . . . 84 THR H . 25968 1 845 . 1 1 84 84 THR HA H 1 5.02759 0.05 . 1 . . . . 84 THR HA . 25968 1 846 . 1 1 84 84 THR HB H 1 3.9035 0.05 . 1 . . . . 84 THR HB . 25968 1 847 . 1 1 84 84 THR HG21 H 1 0.99187 0.01 . 1 . . . . 84 THR MG . 25968 1 848 . 1 1 84 84 THR HG22 H 1 0.99187 0.01 . 1 . . . . 84 THR MG . 25968 1 849 . 1 1 84 84 THR HG23 H 1 0.99187 0.01 . 1 . . . . 84 THR MG . 25968 1 850 . 1 1 84 84 THR C C 13 173.47615 0.1 . 1 . . . . 84 THR C . 25968 1 851 . 1 1 84 84 THR CA C 13 62.15848 0.15 . 1 . . . . 84 THR CA . 25968 1 852 . 1 1 84 84 THR CB C 13 72.06696 0.15 . 1 . . . . 84 THR CB . 25968 1 853 . 1 1 84 84 THR CG2 C 13 22.37515 0.2 . 1 . . . . 84 THR CG2 . 25968 1 854 . 1 1 84 84 THR N N 15 116.7003 0.05 . 1 . . . . 84 THR N . 25968 1 855 . 1 1 85 85 LEU H H 1 9.65411 0.01 . 1 . . . . 85 LEU H . 25968 1 856 . 1 1 85 85 LEU HA H 1 5.15582 0.05 . 1 . . . . 85 LEU HA . 25968 1 857 . 1 1 85 85 LEU HB2 H 1 1.8059 0.05 . 2 . . . . 85 LEU HB2 . 25968 1 858 . 1 1 85 85 LEU HB3 H 1 1.8059 0.05 . 2 . . . . 85 LEU HB3 . 25968 1 859 . 1 1 85 85 LEU C C 13 174.89806 0.1 . 1 . . . . 85 LEU C . 25968 1 860 . 1 1 85 85 LEU CA C 13 55.70559 0.15 . 1 . . . . 85 LEU CA . 25968 1 861 . 1 1 85 85 LEU CB C 13 43.77668 0.15 . 1 . . . . 85 LEU CB . 25968 1 862 . 1 1 85 85 LEU CG C 13 28.65637 0.2 . 1 . . . . 85 LEU CG . 25968 1 863 . 1 1 85 85 LEU CD1 C 13 26.43319 0.2 . 1 . . . . 85 LEU CD1 . 25968 1 864 . 1 1 85 85 LEU CD2 C 13 26.21027 0.2 . 1 . . . . 85 LEU CD2 . 25968 1 865 . 1 1 85 85 LEU N N 15 130.19671 0.05 . 1 . . . . 85 LEU N . 25968 1 866 . 1 1 86 86 ILE H H 1 8.17251 0.01 . 1 . . . . 86 ILE H . 25968 1 867 . 1 1 86 86 ILE HA H 1 4.7957 0.05 . 1 . . . . 86 ILE HA . 25968 1 868 . 1 1 86 86 ILE HB H 1 2.15372 0.05 . 1 . . . . 86 ILE HB . 25968 1 869 . 1 1 86 86 ILE HG21 H 1 0.9564 0.01 . 1 . . . . 86 ILE MG . 25968 1 870 . 1 1 86 86 ILE HG22 H 1 0.9564 0.01 . 1 . . . . 86 ILE MG . 25968 1 871 . 1 1 86 86 ILE HG23 H 1 0.9564 0.01 . 1 . . . . 86 ILE MG . 25968 1 872 . 1 1 86 86 ILE HD11 H 1 0.93188 0.01 . 1 . . . . 86 ILE MD . 25968 1 873 . 1 1 86 86 ILE HD12 H 1 0.93188 0.01 . 1 . . . . 86 ILE MD . 25968 1 874 . 1 1 86 86 ILE HD13 H 1 0.93188 0.01 . 1 . . . . 86 ILE MD . 25968 1 875 . 1 1 86 86 ILE C C 13 176.32987 0.1 . 1 . . . . 86 ILE C . 25968 1 876 . 1 1 86 86 ILE CA C 13 61.10407 0.15 . 1 . . . . 86 ILE CA . 25968 1 877 . 1 1 86 86 ILE CB C 13 39.68167 0.15 . 1 . . . . 86 ILE CB . 25968 1 878 . 1 1 86 86 ILE CG1 C 13 26.83611 0.2 . 1 . . . . 86 ILE CG1 . 25968 1 879 . 1 1 86 86 ILE CG2 C 13 18.67298 0.2 . 1 . . . . 86 ILE CG2 . 25968 1 880 . 1 1 86 86 ILE N N 15 117.95728 0.05 . 1 . . . . 86 ILE N . 25968 1 881 . 1 1 87 87 GLU H H 1 7.6376 0.01 . 1 . . . . 87 GLU H . 25968 1 882 . 1 1 87 87 GLU HA H 1 4.52041 0.05 . 1 . . . . 87 GLU HA . 25968 1 883 . 1 1 87 87 GLU HB2 H 1 2.50125 0.05 . 1 . . . . 87 GLU HB2 . 25968 1 884 . 1 1 87 87 GLU HB3 H 1 2.28453 0.05 . 1 . . . . 87 GLU HB3 . 25968 1 885 . 1 1 87 87 GLU HG2 H 1 1.86343 0.05 . 2 . . . . 87 GLU HG2 . 25968 1 886 . 1 1 87 87 GLU HG3 H 1 1.86343 0.05 . 2 . . . . 87 GLU HG3 . 25968 1 887 . 1 1 87 87 GLU C C 13 173.8081 0.1 . 1 . . . . 87 GLU C . 25968 1 888 . 1 1 87 87 GLU CA C 13 57.09697 0.15 . 1 . . . . 87 GLU CA . 25968 1 889 . 1 1 87 87 GLU CB C 13 35.11132 0.15 . 1 . . . . 87 GLU CB . 25968 1 890 . 1 1 87 87 GLU CG C 13 37.31906 0.2 . 1 . . . . 87 GLU CG . 25968 1 891 . 1 1 87 87 GLU N N 15 121.54576 0.05 . 1 . . . . 87 GLU N . 25968 1 892 . 1 1 88 88 GLY H H 1 8.76173 0.01 . 1 . . . . 88 GLY H . 25968 1 893 . 1 1 88 88 GLY HA2 H 1 3.63253 0.05 . 2 . . . . 88 GLY HA2 . 25968 1 894 . 1 1 88 88 GLY HA3 H 1 3.63253 0.05 . 2 . . . . 88 GLY HA3 . 25968 1 895 . 1 1 88 88 GLY C C 13 173.50985 0.1 . 1 . . . . 88 GLY C . 25968 1 896 . 1 1 88 88 GLY CA C 13 45.03807 0.15 . 1 . . . . 88 GLY CA . 25968 1 897 . 1 1 88 88 GLY N N 15 111.67667 0.05 . 1 . . . . 88 GLY N . 25968 1 898 . 1 1 89 89 ASP H H 1 8.35118 0.01 . 1 . . . . 89 ASP H . 25968 1 899 . 1 1 89 89 ASP HA H 1 4.36062 0.05 . 1 . . . . 89 ASP HA . 25968 1 900 . 1 1 89 89 ASP HB2 H 1 2.61011 0.05 . 1 . . . . 89 ASP HB2 . 25968 1 901 . 1 1 89 89 ASP HB3 H 1 2.76419 0.05 . 1 . . . . 89 ASP HB3 . 25968 1 902 . 1 1 89 89 ASP C C 13 176.46218 0.1 . 1 . . . . 89 ASP C . 25968 1 903 . 1 1 89 89 ASP CA C 13 56.95144 0.15 . 1 . . . . 89 ASP CA . 25968 1 904 . 1 1 89 89 ASP CB C 13 41.27496 0.15 . 1 . . . . 89 ASP CB . 25968 1 905 . 1 1 89 89 ASP N N 15 119.52609 0.05 . 1 . . . . 89 ASP N . 25968 1 906 . 1 1 90 90 ALA H H 1 7.93447 0.01 . 1 . . . . 90 ALA H . 25968 1 907 . 1 1 90 90 ALA HA H 1 4.13071 0.05 . 1 . . . . 90 ALA HA . 25968 1 908 . 1 1 90 90 ALA HB1 H 1 1.35528 0.01 . 1 . . . . 90 ALA MB . 25968 1 909 . 1 1 90 90 ALA HB2 H 1 1.35528 0.01 . 1 . . . . 90 ALA MB . 25968 1 910 . 1 1 90 90 ALA HB3 H 1 1.35528 0.01 . 1 . . . . 90 ALA MB . 25968 1 911 . 1 1 90 90 ALA C C 13 177.33789 0.1 . 1 . . . . 90 ALA C . 25968 1 912 . 1 1 90 90 ALA CA C 13 53.46258 0.15 . 1 . . . . 90 ALA CA . 25968 1 913 . 1 1 90 90 ALA CB C 13 19.42654 0.15 . 1 . . . . 90 ALA CB . 25968 1 914 . 1 1 90 90 ALA N N 15 118.73629 0.05 . 1 . . . . 90 ALA N . 25968 1 915 . 1 1 91 91 LEU H H 1 7.61062 0.01 . 1 . . . . 91 LEU H . 25968 1 916 . 1 1 91 91 LEU HA H 1 4.46463 0.05 . 1 . . . . 91 LEU HA . 25968 1 917 . 1 1 91 91 LEU HB2 H 1 2.03974 0.05 . 1 . . . . 91 LEU HB2 . 25968 1 918 . 1 1 91 91 LEU HB3 H 1 1.7178 0.05 . 1 . . . . 91 LEU HB3 . 25968 1 919 . 1 1 91 91 LEU HG H 1 1.48238 0.05 . 1 . . . . 91 LEU HG . 25968 1 920 . 1 1 91 91 LEU HD11 H 1 0.8324 0.01 . 1 . . . . 91 LEU MD1 . 25968 1 921 . 1 1 91 91 LEU HD12 H 1 0.8324 0.01 . 1 . . . . 91 LEU MD1 . 25968 1 922 . 1 1 91 91 LEU HD13 H 1 0.8324 0.01 . 1 . . . . 91 LEU MD1 . 25968 1 923 . 1 1 91 91 LEU HD21 H 1 0.67274 0.01 . 1 . . . . 91 LEU MD2 . 25968 1 924 . 1 1 91 91 LEU HD22 H 1 0.67274 0.01 . 1 . . . . 91 LEU MD2 . 25968 1 925 . 1 1 91 91 LEU HD23 H 1 0.67274 0.01 . 1 . . . . 91 LEU MD2 . 25968 1 926 . 1 1 91 91 LEU C C 13 177.14948 0.1 . 1 . . . . 91 LEU C . 25968 1 927 . 1 1 91 91 LEU CA C 13 54.34467 0.15 . 1 . . . . 91 LEU CA . 25968 1 928 . 1 1 91 91 LEU CB C 13 39.83558 0.15 . 1 . . . . 91 LEU CB . 25968 1 929 . 1 1 91 91 LEU CG C 13 27.37437 0.2 . 1 . . . . 91 LEU CG . 25968 1 930 . 1 1 91 91 LEU CD1 C 13 25.49002 0.2 . 1 . . . . 91 LEU CD1 . 25968 1 931 . 1 1 91 91 LEU CD2 C 13 23.03184 0.2 . 1 . . . . 91 LEU CD2 . 25968 1 932 . 1 1 91 91 LEU N N 15 115.98807 0.05 . 1 . . . . 91 LEU N . 25968 1 933 . 1 1 92 92 THR H H 1 7.83293 0.01 . 1 . . . . 92 THR H . 25968 1 934 . 1 1 92 92 THR HA H 1 4.73136 0.05 . 1 . . . . 92 THR HA . 25968 1 935 . 1 1 92 92 THR HB H 1 4.61753 0.05 . 1 . . . . 92 THR HB . 25968 1 936 . 1 1 92 92 THR HG21 H 1 1.29399 0.01 . 1 . . . . 92 THR MG . 25968 1 937 . 1 1 92 92 THR HG22 H 1 1.29399 0.01 . 1 . . . . 92 THR MG . 25968 1 938 . 1 1 92 92 THR HG23 H 1 1.29399 0.01 . 1 . . . . 92 THR MG . 25968 1 939 . 1 1 92 92 THR C C 13 174.30912 0.1 . 1 . . . . 92 THR C . 25968 1 940 . 1 1 92 92 THR CA C 13 60.18475 0.15 . 1 . . . . 92 THR CA . 25968 1 941 . 1 1 92 92 THR CB C 13 71.52837 0.15 . 1 . . . . 92 THR CB . 25968 1 942 . 1 1 92 92 THR CG2 C 13 21.8204 0.2 . 1 . . . . 92 THR CG2 . 25968 1 943 . 1 1 92 92 THR N N 15 112.43952 0.05 . 1 . . . . 92 THR N . 25968 1 944 . 1 1 93 93 ASP H H 1 8.7411 0.01 . 1 . . . . 93 ASP H . 25968 1 945 . 1 1 93 93 ASP HA H 1 4.47592 0.05 . 1 . . . . 93 ASP HA . 25968 1 946 . 1 1 93 93 ASP HB2 H 1 2.78711 0.05 . 2 . . . . 93 ASP HB2 . 25968 1 947 . 1 1 93 93 ASP HB3 H 1 2.78711 0.05 . 2 . . . . 93 ASP HB3 . 25968 1 948 . 1 1 93 93 ASP C C 13 177.19621 0.1 . 1 . . . . 93 ASP C . 25968 1 949 . 1 1 93 93 ASP CA C 13 56.44691 0.15 . 1 . . . . 93 ASP CA . 25968 1 950 . 1 1 93 93 ASP CB C 13 40.44138 0.15 . 1 . . . . 93 ASP CB . 25968 1 951 . 1 1 93 93 ASP N N 15 117.23132 0.05 . 1 . . . . 93 ASP N . 25968 1 952 . 1 1 94 94 THR H H 1 7.95722 0.01 . 1 . . . . 94 THR H . 25968 1 953 . 1 1 94 94 THR HA H 1 4.83425 0.05 . 1 . . . . 94 THR HA . 25968 1 954 . 1 1 94 94 THR HB H 1 4.37951 0.05 . 1 . . . . 94 THR HB . 25968 1 955 . 1 1 94 94 THR HG21 H 1 1.21775 0.01 . 1 . . . . 94 THR MG . 25968 1 956 . 1 1 94 94 THR HG22 H 1 1.21775 0.01 . 1 . . . . 94 THR MG . 25968 1 957 . 1 1 94 94 THR HG23 H 1 1.21775 0.01 . 1 . . . . 94 THR MG . 25968 1 958 . 1 1 94 94 THR C C 13 173.91189 0.1 . 1 . . . . 94 THR C . 25968 1 959 . 1 1 94 94 THR CA C 13 62.47365 0.15 . 1 . . . . 94 THR CA . 25968 1 960 . 1 1 94 94 THR CB C 13 69.8755 0.15 . 1 . . . . 94 THR CB . 25968 1 961 . 1 1 94 94 THR CG2 C 13 22.5692 0.2 . 1 . . . . 94 THR CG2 . 25968 1 962 . 1 1 94 94 THR N N 15 108.35886 0.05 . 1 . . . . 94 THR N . 25968 1 963 . 1 1 95 95 ILE H H 1 7.72465 0.01 . 1 . . . . 95 ILE H . 25968 1 964 . 1 1 95 95 ILE HA H 1 4.40157 0.05 . 1 . . . . 95 ILE HA . 25968 1 965 . 1 1 95 95 ILE HB H 1 2.08343 0.05 . 1 . . . . 95 ILE HB . 25968 1 966 . 1 1 95 95 ILE HG12 H 1 1.19674 0.05 . 2 . . . . 95 ILE HG12 . 25968 1 967 . 1 1 95 95 ILE HG13 H 1 1.19674 0.05 . 2 . . . . 95 ILE HG13 . 25968 1 968 . 1 1 95 95 ILE HG21 H 1 0.9633 0.01 . 1 . . . . 95 ILE MG . 25968 1 969 . 1 1 95 95 ILE HG22 H 1 0.9633 0.01 . 1 . . . . 95 ILE MG . 25968 1 970 . 1 1 95 95 ILE HG23 H 1 0.9633 0.01 . 1 . . . . 95 ILE MG . 25968 1 971 . 1 1 95 95 ILE HD11 H 1 0.70721 0.01 . 1 . . . . 95 ILE MD . 25968 1 972 . 1 1 95 95 ILE HD12 H 1 0.70721 0.01 . 1 . . . . 95 ILE MD . 25968 1 973 . 1 1 95 95 ILE HD13 H 1 0.70721 0.01 . 1 . . . . 95 ILE MD . 25968 1 974 . 1 1 95 95 ILE C C 13 174.31171 0.1 . 1 . . . . 95 ILE C . 25968 1 975 . 1 1 95 95 ILE CA C 13 61.39627 0.15 . 1 . . . . 95 ILE CA . 25968 1 976 . 1 1 95 95 ILE CB C 13 39.02462 0.15 . 1 . . . . 95 ILE CB . 25968 1 977 . 1 1 95 95 ILE CG1 C 13 28.08493 0.2 . 1 . . . . 95 ILE CG1 . 25968 1 978 . 1 1 95 95 ILE CG2 C 13 19.09288 0.2 . 1 . . . . 95 ILE CG2 . 25968 1 979 . 1 1 95 95 ILE CD1 C 13 14.88547 0.2 . 1 . . . . 95 ILE CD1 . 25968 1 980 . 1 1 95 95 ILE N N 15 123.46729 0.05 . 1 . . . . 95 ILE N . 25968 1 981 . 1 1 96 96 GLU H H 1 8.77029 0.01 . 1 . . . . 96 GLU H . 25968 1 982 . 1 1 96 96 GLU HA H 1 4.2547 0.05 . 1 . . . . 96 GLU HA . 25968 1 983 . 1 1 96 96 GLU HB2 H 1 1.97315 0.05 . 2 . . . . 96 GLU HB2 . 25968 1 984 . 1 1 96 96 GLU HB3 H 1 1.97315 0.05 . 2 . . . . 96 GLU HB3 . 25968 1 985 . 1 1 96 96 GLU HG2 H 1 2.22285 0.05 . 2 . . . . 96 GLU HG2 . 25968 1 986 . 1 1 96 96 GLU HG3 H 1 2.22285 0.05 . 2 . . . . 96 GLU HG3 . 25968 1 987 . 1 1 96 96 GLU C C 13 176.37182 0.1 . 1 . . . . 96 GLU C . 25968 1 988 . 1 1 96 96 GLU CA C 13 58.00249 0.15 . 1 . . . . 96 GLU CA . 25968 1 989 . 1 1 96 96 GLU CB C 13 31.93362 0.15 . 1 . . . . 96 GLU CB . 25968 1 990 . 1 1 96 96 GLU CG C 13 36.25071 0.2 . 1 . . . . 96 GLU CG . 25968 1 991 . 1 1 96 96 GLU N N 15 125.59888 0.05 . 1 . . . . 96 GLU N . 25968 1 992 . 1 1 97 97 LYS H H 1 7.73079 0.01 . 1 . . . . 97 LYS H . 25968 1 993 . 1 1 97 97 LYS HA H 1 4.65455 0.05 . 1 . . . . 97 LYS HA . 25968 1 994 . 1 1 97 97 LYS HB2 H 1 1.9199 0.05 . 2 . . . . 97 LYS HB2 . 25968 1 995 . 1 1 97 97 LYS HB3 H 1 1.9199 0.05 . 2 . . . . 97 LYS HB3 . 25968 1 996 . 1 1 97 97 LYS HG2 H 1 1.02018 0.05 . 2 . . . . 97 LYS HG2 . 25968 1 997 . 1 1 97 97 LYS HG3 H 1 1.02018 0.05 . 2 . . . . 97 LYS HG3 . 25968 1 998 . 1 1 97 97 LYS C C 13 173.33817 0.1 . 1 . . . . 97 LYS C . 25968 1 999 . 1 1 97 97 LYS CA C 13 55.93299 0.15 . 1 . . . . 97 LYS CA . 25968 1 1000 . 1 1 97 97 LYS CB C 13 34.66589 0.15 . 1 . . . . 97 LYS CB . 25968 1 1001 . 1 1 97 97 LYS CG C 13 23.86626 0.2 . 1 . . . . 97 LYS CG . 25968 1 1002 . 1 1 97 97 LYS CD C 13 29.70152 0.2 . 1 . . . . 97 LYS CD . 25968 1 1003 . 1 1 97 97 LYS CE C 13 41.21815 0.2 . 1 . . . . 97 LYS CE . 25968 1 1004 . 1 1 97 97 LYS N N 15 112.28932 0.05 . 1 . . . . 97 LYS N . 25968 1 1005 . 1 1 98 98 ILE H H 1 7.23466 0.01 . 1 . . . . 98 ILE H . 25968 1 1006 . 1 1 98 98 ILE HA H 1 4.923 0.05 . 1 . . . . 98 ILE HA . 25968 1 1007 . 1 1 98 98 ILE HG12 H 1 1.36341 0.05 . 2 . . . . 98 ILE HG12 . 25968 1 1008 . 1 1 98 98 ILE HG13 H 1 1.36341 0.05 . 2 . . . . 98 ILE HG13 . 25968 1 1009 . 1 1 98 98 ILE HG21 H 1 -0.25646 0.01 . 1 . . . . 98 ILE MG . 25968 1 1010 . 1 1 98 98 ILE HG22 H 1 -0.25646 0.01 . 1 . . . . 98 ILE MG . 25968 1 1011 . 1 1 98 98 ILE HG23 H 1 -0.25646 0.01 . 1 . . . . 98 ILE MG . 25968 1 1012 . 1 1 98 98 ILE C C 13 174.53319 0.1 . 1 . . . . 98 ILE C . 25968 1 1013 . 1 1 98 98 ILE CA C 13 60.4738 0.15 . 1 . . . . 98 ILE CA . 25968 1 1014 . 1 1 98 98 ILE CB C 13 41.44599 0.15 . 1 . . . . 98 ILE CB . 25968 1 1015 . 1 1 98 98 ILE CG1 C 13 27.33737 0.2 . 1 . . . . 98 ILE CG1 . 25968 1 1016 . 1 1 98 98 ILE CG2 C 13 16.52112 0.2 . 1 . . . . 98 ILE CG2 . 25968 1 1017 . 1 1 98 98 ILE N N 15 119.75656 0.05 . 1 . . . . 98 ILE N . 25968 1 1018 . 1 1 99 99 SER H H 1 9.15233 0.01 . 1 . . . . 99 SER H . 25968 1 1019 . 1 1 99 99 SER HA H 1 5.09094 0.05 . 1 . . . . 99 SER HA . 25968 1 1020 . 1 1 99 99 SER HB2 H 1 3.90514 0.05 . 2 . . . . 99 SER HB2 . 25968 1 1021 . 1 1 99 99 SER HB3 H 1 3.90514 0.05 . 2 . . . . 99 SER HB3 . 25968 1 1022 . 1 1 99 99 SER C C 13 171.75698 0.1 . 1 . . . . 99 SER C . 25968 1 1023 . 1 1 99 99 SER CA C 13 57.24974 0.15 . 1 . . . . 99 SER CA . 25968 1 1024 . 1 1 99 99 SER CB C 13 65.61844 0.15 . 1 . . . . 99 SER CB . 25968 1 1025 . 1 1 99 99 SER N N 15 123.0601 0.05 . 1 . . . . 99 SER N . 25968 1 1026 . 1 1 100 100 TYR H H 1 9.17803 0.01 . 1 . . . . 100 TYR H . 25968 1 1027 . 1 1 100 100 TYR HA H 1 5.31041 0.05 . 1 . . . . 100 TYR HA . 25968 1 1028 . 1 1 100 100 TYR HB2 H 1 2.57585 0.05 . 2 . . . . 100 TYR HB2 . 25968 1 1029 . 1 1 100 100 TYR HB3 H 1 2.57585 0.05 . 2 . . . . 100 TYR HB3 . 25968 1 1030 . 1 1 100 100 TYR C C 13 176.3166 0.1 . 1 . . . . 100 TYR C . 25968 1 1031 . 1 1 100 100 TYR CA C 13 56.95094 0.15 . 1 . . . . 100 TYR CA . 25968 1 1032 . 1 1 100 100 TYR CB C 13 41.59602 0.15 . 1 . . . . 100 TYR CB . 25968 1 1033 . 1 1 100 100 TYR N N 15 121.61666 0.05 . 1 . . . . 100 TYR N . 25968 1 1034 . 1 1 101 101 GLU H H 1 9.09962 0.01 . 1 . . . . 101 GLU H . 25968 1 1035 . 1 1 101 101 GLU HA H 1 5.09257 0.05 . 1 . . . . 101 GLU HA . 25968 1 1036 . 1 1 101 101 GLU HB2 H 1 2.14794 0.05 . 2 . . . . 101 GLU HB2 . 25968 1 1037 . 1 1 101 101 GLU HB3 H 1 2.14794 0.05 . 2 . . . . 101 GLU HB3 . 25968 1 1038 . 1 1 101 101 GLU HG2 H 1 2.81186 0.05 . 2 . . . . 101 GLU HG2 . 25968 1 1039 . 1 1 101 101 GLU HG3 H 1 2.81186 0.05 . 2 . . . . 101 GLU HG3 . 25968 1 1040 . 1 1 101 101 GLU C C 13 175.44573 0.1 . 1 . . . . 101 GLU C . 25968 1 1041 . 1 1 101 101 GLU CA C 13 55.54386 0.15 . 1 . . . . 101 GLU CA . 25968 1 1042 . 1 1 101 101 GLU CB C 13 33.44035 0.15 . 1 . . . . 101 GLU CB . 25968 1 1043 . 1 1 101 101 GLU CG C 13 36.78795 0.2 . 1 . . . . 101 GLU CG . 25968 1 1044 . 1 1 101 101 GLU N N 15 120.91567 0.05 . 1 . . . . 101 GLU N . 25968 1 1045 . 1 1 102 102 THR H H 1 9.28887 0.01 . 1 . . . . 102 THR H . 25968 1 1046 . 1 1 102 102 THR HA H 1 5.53518 0.05 . 1 . . . . 102 THR HA . 25968 1 1047 . 1 1 102 102 THR HB H 1 4.2324 0.05 . 1 . . . . 102 THR HB . 25968 1 1048 . 1 1 102 102 THR HG21 H 1 1.34544 0.01 . 1 . . . . 102 THR MG . 25968 1 1049 . 1 1 102 102 THR HG22 H 1 1.34544 0.01 . 1 . . . . 102 THR MG . 25968 1 1050 . 1 1 102 102 THR HG23 H 1 1.34544 0.01 . 1 . . . . 102 THR MG . 25968 1 1051 . 1 1 102 102 THR C C 13 173.13722 0.1 . 1 . . . . 102 THR C . 25968 1 1052 . 1 1 102 102 THR CA C 13 61.93864 0.15 . 1 . . . . 102 THR CA . 25968 1 1053 . 1 1 102 102 THR CB C 13 71.5848 0.15 . 1 . . . . 102 THR CB . 25968 1 1054 . 1 1 102 102 THR CG2 C 13 22.36466 0.2 . 1 . . . . 102 THR CG2 . 25968 1 1055 . 1 1 102 102 THR N N 15 121.99891 0.05 . 1 . . . . 102 THR N . 25968 1 1056 . 1 1 103 103 LYS H H 1 9.09124 0.01 . 1 . . . . 103 LYS H . 25968 1 1057 . 1 1 103 103 LYS HA H 1 5.55939 0.05 . 1 . . . . 103 LYS HA . 25968 1 1058 . 1 1 103 103 LYS HB2 H 1 1.88406 0.05 . 2 . . . . 103 LYS HB2 . 25968 1 1059 . 1 1 103 103 LYS HB3 H 1 1.88406 0.05 . 2 . . . . 103 LYS HB3 . 25968 1 1060 . 1 1 103 103 LYS HG2 H 1 1.46887 0.05 . 2 . . . . 103 LYS HG2 . 25968 1 1061 . 1 1 103 103 LYS HG3 H 1 1.46887 0.05 . 2 . . . . 103 LYS HG3 . 25968 1 1062 . 1 1 103 103 LYS HD2 H 1 1.81489 0.05 . 2 . . . . 103 LYS HD2 . 25968 1 1063 . 1 1 103 103 LYS HD3 H 1 1.81489 0.05 . 2 . . . . 103 LYS HD3 . 25968 1 1064 . 1 1 103 103 LYS HE2 H 1 2.93802 0.05 . 2 . . . . 103 LYS HE2 . 25968 1 1065 . 1 1 103 103 LYS HE3 H 1 2.93802 0.05 . 2 . . . . 103 LYS HE3 . 25968 1 1066 . 1 1 103 103 LYS C C 13 174.72935 0.1 . 1 . . . . 103 LYS C . 25968 1 1067 . 1 1 103 103 LYS CA C 13 55.20646 0.15 . 1 . . . . 103 LYS CA . 25968 1 1068 . 1 1 103 103 LYS CB C 13 36.58895 0.15 . 1 . . . . 103 LYS CB . 25968 1 1069 . 1 1 103 103 LYS CG C 13 25.15335 0.2 . 1 . . . . 103 LYS CG . 25968 1 1070 . 1 1 103 103 LYS CD C 13 29.51835 0.2 . 1 . . . . 103 LYS CD . 25968 1 1071 . 1 1 103 103 LYS CE C 13 42.39418 0.2 . 1 . . . . 103 LYS CE . 25968 1 1072 . 1 1 103 103 LYS N N 15 126.73174 0.05 . 1 . . . . 103 LYS N . 25968 1 1073 . 1 1 104 104 LEU H H 1 8.53056 0.01 . 1 . . . . 104 LEU H . 25968 1 1074 . 1 1 104 104 LEU HA H 1 5.48657 0.05 . 1 . . . . 104 LEU HA . 25968 1 1075 . 1 1 104 104 LEU HB2 H 1 1.96531 0.05 . 2 . . . . 104 LEU HB2 . 25968 1 1076 . 1 1 104 104 LEU HB3 H 1 1.96531 0.05 . 2 . . . . 104 LEU HB3 . 25968 1 1077 . 1 1 104 104 LEU HD11 H 1 0.93805 0.01 . 1 . . . . 104 LEU MD1 . 25968 1 1078 . 1 1 104 104 LEU HD12 H 1 0.93805 0.01 . 1 . . . . 104 LEU MD1 . 25968 1 1079 . 1 1 104 104 LEU HD13 H 1 0.93805 0.01 . 1 . . . . 104 LEU MD1 . 25968 1 1080 . 1 1 104 104 LEU HD21 H 1 1.11003 0.01 . 1 . . . . 104 LEU MD2 . 25968 1 1081 . 1 1 104 104 LEU HD22 H 1 1.11003 0.01 . 1 . . . . 104 LEU MD2 . 25968 1 1082 . 1 1 104 104 LEU HD23 H 1 1.11003 0.01 . 1 . . . . 104 LEU MD2 . 25968 1 1083 . 1 1 104 104 LEU C C 13 175.55422 0.1 . 1 . . . . 104 LEU C . 25968 1 1084 . 1 1 104 104 LEU CA C 13 53.869 0.15 . 1 . . . . 104 LEU CA . 25968 1 1085 . 1 1 104 104 LEU CB C 13 43.5018 0.15 . 1 . . . . 104 LEU CB . 25968 1 1086 . 1 1 104 104 LEU CG C 13 26.96565 0.2 . 1 . . . . 104 LEU CG . 25968 1 1087 . 1 1 104 104 LEU CD1 C 13 27.13479 0.2 . 1 . . . . 104 LEU CD1 . 25968 1 1088 . 1 1 104 104 LEU CD2 C 13 27.01817 0.2 . 1 . . . . 104 LEU CD2 . 25968 1 1089 . 1 1 104 104 LEU N N 15 123.68439 0.05 . 1 . . . . 104 LEU N . 25968 1 1090 . 1 1 105 105 VAL H H 1 8.71417 0.01 . 1 . . . . 105 VAL H . 25968 1 1091 . 1 1 105 105 VAL HA H 1 4.42796 0.05 . 1 . . . . 105 VAL HA . 25968 1 1092 . 1 1 105 105 VAL HB H 1 2.02731 0.05 . 1 . . . . 105 VAL HB . 25968 1 1093 . 1 1 105 105 VAL HG11 H 1 0.92638 0.01 . 1 . . . . 105 VAL MG1 . 25968 1 1094 . 1 1 105 105 VAL HG12 H 1 0.92638 0.01 . 1 . . . . 105 VAL MG1 . 25968 1 1095 . 1 1 105 105 VAL HG13 H 1 0.92638 0.01 . 1 . . . . 105 VAL MG1 . 25968 1 1096 . 1 1 105 105 VAL HG21 H 1 1.03967 0.01 . 1 . . . . 105 VAL MG2 . 25968 1 1097 . 1 1 105 105 VAL HG22 H 1 1.03967 0.01 . 1 . . . . 105 VAL MG2 . 25968 1 1098 . 1 1 105 105 VAL HG23 H 1 1.03967 0.01 . 1 . . . . 105 VAL MG2 . 25968 1 1099 . 1 1 105 105 VAL C C 13 175.25289 0.1 . 1 . . . . 105 VAL C . 25968 1 1100 . 1 1 105 105 VAL CA C 13 59.99242 0.15 . 1 . . . . 105 VAL CA . 25968 1 1101 . 1 1 105 105 VAL CB C 13 35.88704 0.15 . 1 . . . . 105 VAL CB . 25968 1 1102 . 1 1 105 105 VAL CG1 C 13 21.12196 0.2 . 1 . . . . 105 VAL CG1 . 25968 1 1103 . 1 1 105 105 VAL CG2 C 13 21.3907 0.2 . 1 . . . . 105 VAL CG2 . 25968 1 1104 . 1 1 105 105 VAL N N 15 118.63543 0.05 . 1 . . . . 105 VAL N . 25968 1 1105 . 1 1 106 106 ALA H H 1 8.99804 0.01 . 1 . . . . 106 ALA H . 25968 1 1106 . 1 1 106 106 ALA HA H 1 4.20029 0.05 . 1 . . . . 106 ALA HA . 25968 1 1107 . 1 1 106 106 ALA HB1 H 1 1.50027 0.01 . 1 . . . . 106 ALA MB . 25968 1 1108 . 1 1 106 106 ALA HB2 H 1 1.50027 0.01 . 1 . . . . 106 ALA MB . 25968 1 1109 . 1 1 106 106 ALA HB3 H 1 1.50027 0.01 . 1 . . . . 106 ALA MB . 25968 1 1110 . 1 1 106 106 ALA C C 13 177.37738 0.1 . 1 . . . . 106 ALA C . 25968 1 1111 . 1 1 106 106 ALA CA C 13 53.69537 0.15 . 1 . . . . 106 ALA CA . 25968 1 1112 . 1 1 106 106 ALA CB C 13 18.83818 0.15 . 1 . . . . 106 ALA CB . 25968 1 1113 . 1 1 106 106 ALA N N 15 128.11043 0.05 . 1 . . . . 106 ALA N . 25968 1 1114 . 1 1 107 107 CYS H H 1 7.87324 0.01 . 1 . . . . 107 CYS H . 25968 1 1115 . 1 1 107 107 CYS HA H 1 4.47617 0.05 . 1 . . . . 107 CYS HA . 25968 1 1116 . 1 1 107 107 CYS HB2 H 1 2.49118 0.05 . 2 . . . . 107 CYS HB2 . 25968 1 1117 . 1 1 107 107 CYS HB3 H 1 2.49118 0.05 . 2 . . . . 107 CYS HB3 . 25968 1 1118 . 1 1 107 107 CYS CA C 13 57.95819 0.15 . 1 . . . . 107 CYS CA . 25968 1 1119 . 1 1 107 107 CYS CB C 13 27.37018 0.15 . 1 . . . . 107 CYS CB . 25968 1 1120 . 1 1 107 107 CYS N N 15 124.62244 0.05 . 1 . . . . 107 CYS N . 25968 1 1121 . 1 1 109 109 SER HA H 1 4.57561 0.05 . 1 . . . . 109 SER HA . 25968 1 1122 . 1 1 109 109 SER HB2 H 1 4.21669 0.05 . 1 . . . . 109 SER HB2 . 25968 1 1123 . 1 1 109 109 SER HB3 H 1 3.87545 0.05 . 1 . . . . 109 SER HB3 . 25968 1 1124 . 1 1 109 109 SER C C 13 173.20636 0.1 . 1 . . . . 109 SER C . 25968 1 1125 . 1 1 109 109 SER CA C 13 59.05821 0.15 . 1 . . . . 109 SER CA . 25968 1 1126 . 1 1 109 109 SER CB C 13 63.67678 0.15 . 1 . . . . 109 SER CB . 25968 1 1127 . 1 1 110 110 GLY H H 1 8.03154 0.01 . 1 . . . . 110 GLY H . 25968 1 1128 . 1 1 110 110 GLY HA2 H 1 4.1264 0.05 . 1 . . . . 110 GLY HA2 . 25968 1 1129 . 1 1 110 110 GLY HA3 H 1 3.86236 0.05 . 1 . . . . 110 GLY HA3 . 25968 1 1130 . 1 1 110 110 GLY C C 13 175.47856 0.1 . 1 . . . . 110 GLY C . 25968 1 1131 . 1 1 110 110 GLY CA C 13 44.24286 0.15 . 1 . . . . 110 GLY CA . 25968 1 1132 . 1 1 110 110 GLY N N 15 110.25978 0.05 . 1 . . . . 110 GLY N . 25968 1 1133 . 1 1 111 111 SER H H 1 8.95516 0.01 . 1 . . . . 111 SER H . 25968 1 1134 . 1 1 111 111 SER HA H 1 5.43329 0.05 . 1 . . . . 111 SER HA . 25968 1 1135 . 1 1 111 111 SER HB2 H 1 3.40504 0.05 . 2 . . . . 111 SER HB2 . 25968 1 1136 . 1 1 111 111 SER HB3 H 1 3.40504 0.05 . 2 . . . . 111 SER HB3 . 25968 1 1137 . 1 1 111 111 SER C C 13 173.15645 0.1 . 1 . . . . 111 SER C . 25968 1 1138 . 1 1 111 111 SER CA C 13 59.18406 0.15 . 1 . . . . 111 SER CA . 25968 1 1139 . 1 1 111 111 SER CB C 13 67.96837 0.15 . 1 . . . . 111 SER CB . 25968 1 1140 . 1 1 111 111 SER N N 15 120.673 0.05 . 1 . . . . 111 SER N . 25968 1 1141 . 1 1 112 112 THR H H 1 9.41799 0.01 . 1 . . . . 112 THR H . 25968 1 1142 . 1 1 112 112 THR HA H 1 4.62476 0.05 . 1 . . . . 112 THR HA . 25968 1 1143 . 1 1 112 112 THR HB H 1 3.78792 0.05 . 1 . . . . 112 THR HB . 25968 1 1144 . 1 1 112 112 THR HG21 H 1 1.05038 0.01 . 1 . . . . 112 THR MG . 25968 1 1145 . 1 1 112 112 THR HG22 H 1 1.05038 0.01 . 1 . . . . 112 THR MG . 25968 1 1146 . 1 1 112 112 THR HG23 H 1 1.05038 0.01 . 1 . . . . 112 THR MG . 25968 1 1147 . 1 1 112 112 THR C C 13 173.06925 0.1 . 1 . . . . 112 THR C . 25968 1 1148 . 1 1 112 112 THR CA C 13 62.57731 0.15 . 1 . . . . 112 THR CA . 25968 1 1149 . 1 1 112 112 THR CB C 13 69.8586 0.15 . 1 . . . . 112 THR CB . 25968 1 1150 . 1 1 112 112 THR CG2 C 13 22.95348 0.2 . 1 . . . . 112 THR CG2 . 25968 1 1151 . 1 1 112 112 THR N N 15 120.89409 0.05 . 1 . . . . 112 THR N . 25968 1 1152 . 1 1 113 113 ILE H H 1 9.18711 0.01 . 1 . . . . 113 ILE H . 25968 1 1153 . 1 1 113 113 ILE HA H 1 4.38605 0.05 . 1 . . . . 113 ILE HA . 25968 1 1154 . 1 1 113 113 ILE C C 13 174.62872 0.1 . 1 . . . . 113 ILE C . 25968 1 1155 . 1 1 113 113 ILE CA C 13 61.35905 0.15 . 1 . . . . 113 ILE CA . 25968 1 1156 . 1 1 113 113 ILE CB C 13 38.72624 0.15 . 1 . . . . 113 ILE CB . 25968 1 1157 . 1 1 113 113 ILE CG1 C 13 28.68003 0.2 . 1 . . . . 113 ILE CG1 . 25968 1 1158 . 1 1 113 113 ILE CG2 C 13 19.28942 0.2 . 1 . . . . 113 ILE CG2 . 25968 1 1159 . 1 1 113 113 ILE N N 15 127.49693 0.05 . 1 . . . . 113 ILE N . 25968 1 1160 . 1 1 114 114 LYS H H 1 9.10114 0.01 . 1 . . . . 114 LYS H . 25968 1 1161 . 1 1 114 114 LYS HA H 1 4.90058 0.05 . 1 . . . . 114 LYS HA . 25968 1 1162 . 1 1 114 114 LYS HB2 H 1 1.84807 0.05 . 2 . . . . 114 LYS HB2 . 25968 1 1163 . 1 1 114 114 LYS HB3 H 1 1.84807 0.05 . 2 . . . . 114 LYS HB3 . 25968 1 1164 . 1 1 114 114 LYS HG2 H 1 1.36621 0.05 . 2 . . . . 114 LYS HG2 . 25968 1 1165 . 1 1 114 114 LYS HG3 H 1 1.36621 0.05 . 2 . . . . 114 LYS HG3 . 25968 1 1166 . 1 1 114 114 LYS HD2 H 1 1.64522 0.05 . 2 . . . . 114 LYS HD2 . 25968 1 1167 . 1 1 114 114 LYS HD3 H 1 1.64522 0.05 . 2 . . . . 114 LYS HD3 . 25968 1 1168 . 1 1 114 114 LYS HE2 H 1 2.86895 0.05 . 2 . . . . 114 LYS HE2 . 25968 1 1169 . 1 1 114 114 LYS HE3 H 1 2.86895 0.05 . 2 . . . . 114 LYS HE3 . 25968 1 1170 . 1 1 114 114 LYS C C 13 175.12719 0.1 . 1 . . . . 114 LYS C . 25968 1 1171 . 1 1 114 114 LYS CA C 13 55.0597 0.15 . 1 . . . . 114 LYS CA . 25968 1 1172 . 1 1 114 114 LYS CB C 13 33.87275 0.15 . 1 . . . . 114 LYS CB . 25968 1 1173 . 1 1 114 114 LYS CG C 13 25.362 0.2 . 1 . . . . 114 LYS CG . 25968 1 1174 . 1 1 114 114 LYS CD C 13 29.34758 0.2 . 1 . . . . 114 LYS CD . 25968 1 1175 . 1 1 114 114 LYS CE C 13 41.86687 0.2 . 1 . . . . 114 LYS CE . 25968 1 1176 . 1 1 114 114 LYS N N 15 127.59602 0.05 . 1 . . . . 114 LYS N . 25968 1 1177 . 1 1 115 115 SER H H 1 8.83917 0.01 . 1 . . . . 115 SER H . 25968 1 1178 . 1 1 115 115 SER HA H 1 5.4438 0.05 . 1 . . . . 115 SER HA . 25968 1 1179 . 1 1 115 115 SER HB2 H 1 3.72299 0.05 . 1 . . . . 115 SER HB2 . 25968 1 1180 . 1 1 115 115 SER HB3 H 1 3.93389 0.05 . 1 . . . . 115 SER HB3 . 25968 1 1181 . 1 1 115 115 SER C C 13 173.67679 0.1 . 1 . . . . 115 SER C . 25968 1 1182 . 1 1 115 115 SER CA C 13 56.89118 0.15 . 1 . . . . 115 SER CA . 25968 1 1183 . 1 1 115 115 SER CB C 13 64.41292 0.15 . 1 . . . . 115 SER CB . 25968 1 1184 . 1 1 115 115 SER N N 15 120.06214 0.05 . 1 . . . . 115 SER N . 25968 1 1185 . 1 1 116 116 ILE H H 1 9.42391 0.01 . 1 . . . . 116 ILE H . 25968 1 1186 . 1 1 116 116 ILE HA H 1 4.92042 0.05 . 1 . . . . 116 ILE HA . 25968 1 1187 . 1 1 116 116 ILE HB H 1 1.79379 0.05 . 1 . . . . 116 ILE HB . 25968 1 1188 . 1 1 116 116 ILE HG12 H 1 1.39082 0.05 . 2 . . . . 116 ILE HG12 . 25968 1 1189 . 1 1 116 116 ILE HG13 H 1 1.39082 0.05 . 2 . . . . 116 ILE HG13 . 25968 1 1190 . 1 1 116 116 ILE HG21 H 1 0.50271 0.01 . 1 . . . . 116 ILE MG . 25968 1 1191 . 1 1 116 116 ILE HG22 H 1 0.50271 0.01 . 1 . . . . 116 ILE MG . 25968 1 1192 . 1 1 116 116 ILE HG23 H 1 0.50271 0.01 . 1 . . . . 116 ILE MG . 25968 1 1193 . 1 1 116 116 ILE HD11 H 1 0.84393 0.01 . 1 . . . . 116 ILE MD . 25968 1 1194 . 1 1 116 116 ILE HD12 H 1 0.84393 0.01 . 1 . . . . 116 ILE MD . 25968 1 1195 . 1 1 116 116 ILE HD13 H 1 0.84393 0.01 . 1 . . . . 116 ILE MD . 25968 1 1196 . 1 1 116 116 ILE C C 13 175.15192 0.1 . 1 . . . . 116 ILE C . 25968 1 1197 . 1 1 116 116 ILE CA C 13 60.53712 0.15 . 1 . . . . 116 ILE CA . 25968 1 1198 . 1 1 116 116 ILE CB C 13 40.8377 0.15 . 1 . . . . 116 ILE CB . 25968 1 1199 . 1 1 116 116 ILE CG1 C 13 28.21684 0.2 . 1 . . . . 116 ILE CG1 . 25968 1 1200 . 1 1 116 116 ILE CG2 C 13 19.08199 0.2 . 1 . . . . 116 ILE CG2 . 25968 1 1201 . 1 1 116 116 ILE CD1 C 13 13.83871 0.2 . 1 . . . . 116 ILE CD1 . 25968 1 1202 . 1 1 116 116 ILE N N 15 129.77594 0.05 . 1 . . . . 116 ILE N . 25968 1 1203 . 1 1 117 117 SER H H 1 9.07974 0.01 . 1 . . . . 117 SER H . 25968 1 1204 . 1 1 117 117 SER HA H 1 5.08964 0.05 . 1 . . . . 117 SER HA . 25968 1 1205 . 1 1 117 117 SER HB2 H 1 3.60182 0.05 . 2 . . . . 117 SER HB2 . 25968 1 1206 . 1 1 117 117 SER HB3 H 1 3.60182 0.05 . 2 . . . . 117 SER HB3 . 25968 1 1207 . 1 1 117 117 SER C C 13 172.74524 0.1 . 1 . . . . 117 SER C . 25968 1 1208 . 1 1 117 117 SER CA C 13 55.87337 0.15 . 1 . . . . 117 SER CA . 25968 1 1209 . 1 1 117 117 SER CB C 13 66.34866 0.15 . 1 . . . . 117 SER CB . 25968 1 1210 . 1 1 117 117 SER N N 15 120.99516 0.05 . 1 . . . . 117 SER N . 25968 1 1211 . 1 1 118 118 HIS H H 1 9.28887 0.01 . 1 . . . . 118 HIS H . 25968 1 1212 . 1 1 118 118 HIS HA H 1 5.38561 0.05 . 1 . . . . 118 HIS HA . 25968 1 1213 . 1 1 118 118 HIS HB2 H 1 3.31978 0.05 . 1 . . . . 118 HIS HB2 . 25968 1 1214 . 1 1 118 118 HIS HB3 H 1 2.399 0.05 . 1 . . . . 118 HIS HB3 . 25968 1 1215 . 1 1 118 118 HIS C C 13 174.10127 0.1 . 1 . . . . 118 HIS C . 25968 1 1216 . 1 1 118 118 HIS CA C 13 53.51576 0.15 . 1 . . . . 118 HIS CA . 25968 1 1217 . 1 1 118 118 HIS CB C 13 30.86063 0.15 . 1 . . . . 118 HIS CB . 25968 1 1218 . 1 1 118 118 HIS N N 15 120.73066 0.05 . 1 . . . . 118 HIS N . 25968 1 1219 . 1 1 119 119 TYR H H 1 10.14282 0.01 . 1 . . . . 119 TYR H . 25968 1 1220 . 1 1 119 119 TYR HA H 1 4.61134 0.05 . 1 . . . . 119 TYR HA . 25968 1 1221 . 1 1 119 119 TYR HB2 H 1 3.56441 0.05 . 1 . . . . 119 TYR HB2 . 25968 1 1222 . 1 1 119 119 TYR HB3 H 1 2.64245 0.05 . 1 . . . . 119 TYR HB3 . 25968 1 1223 . 1 1 119 119 TYR C C 13 174.82945 0.1 . 1 . . . . 119 TYR C . 25968 1 1224 . 1 1 119 119 TYR CA C 13 58.20293 0.15 . 1 . . . . 119 TYR CA . 25968 1 1225 . 1 1 119 119 TYR CB C 13 40.48499 0.15 . 1 . . . . 119 TYR CB . 25968 1 1226 . 1 1 119 119 TYR N N 15 125.82328 0.05 . 1 . . . . 119 TYR N . 25968 1 1227 . 1 1 120 120 HIS H H 1 8.61269 0.01 . 1 . . . . 120 HIS H . 25968 1 1228 . 1 1 120 120 HIS HA H 1 5.09229 0.05 . 1 . . . . 120 HIS HA . 25968 1 1229 . 1 1 120 120 HIS HB2 H 1 3.24991 0.05 . 2 . . . . 120 HIS HB2 . 25968 1 1230 . 1 1 120 120 HIS HB3 H 1 3.24991 0.05 . 2 . . . . 120 HIS HB3 . 25968 1 1231 . 1 1 120 120 HIS C C 13 175.61435 0.1 . 1 . . . . 120 HIS C . 25968 1 1232 . 1 1 120 120 HIS CA C 13 55.91527 0.15 . 1 . . . . 120 HIS CA . 25968 1 1233 . 1 1 120 120 HIS CB C 13 30.78755 0.15 . 1 . . . . 120 HIS CB . 25968 1 1234 . 1 1 120 120 HIS N N 15 124.762 0.05 . 1 . . . . 120 HIS N . 25968 1 1235 . 1 1 121 121 THR H H 1 8.7914 0.01 . 1 . . . . 121 THR H . 25968 1 1236 . 1 1 121 121 THR HA H 1 5.44473 0.05 . 1 . . . . 121 THR HA . 25968 1 1237 . 1 1 121 121 THR HB H 1 4.46778 0.05 . 1 . . . . 121 THR HB . 25968 1 1238 . 1 1 121 121 THR HG21 H 1 1.34107 0.01 . 1 . . . . 121 THR MG . 25968 1 1239 . 1 1 121 121 THR HG22 H 1 1.34107 0.01 . 1 . . . . 121 THR MG . 25968 1 1240 . 1 1 121 121 THR HG23 H 1 1.34107 0.01 . 1 . . . . 121 THR MG . 25968 1 1241 . 1 1 121 121 THR C C 13 174.60294 0.1 . 1 . . . . 121 THR C . 25968 1 1242 . 1 1 121 121 THR CA C 13 60.29229 0.15 . 1 . . . . 121 THR CA . 25968 1 1243 . 1 1 121 121 THR CB C 13 71.33933 0.15 . 1 . . . . 121 THR CB . 25968 1 1244 . 1 1 121 121 THR CG2 C 13 22.44243 0.2 . 1 . . . . 121 THR CG2 . 25968 1 1245 . 1 1 121 121 THR N N 15 115.12841 0.05 . 1 . . . . 121 THR N . 25968 1 1246 . 1 1 122 122 LYS H H 1 8.74529 0.01 . 1 . . . . 122 LYS H . 25968 1 1247 . 1 1 122 122 LYS HA H 1 4.66105 0.05 . 1 . . . . 122 LYS HA . 25968 1 1248 . 1 1 122 122 LYS HB2 H 1 1.94417 0.05 . 2 . . . . 122 LYS HB2 . 25968 1 1249 . 1 1 122 122 LYS HB3 H 1 1.94417 0.05 . 2 . . . . 122 LYS HB3 . 25968 1 1250 . 1 1 122 122 LYS HG2 H 1 1.42542 0.05 . 2 . . . . 122 LYS HG2 . 25968 1 1251 . 1 1 122 122 LYS HG3 H 1 1.42542 0.05 . 2 . . . . 122 LYS HG3 . 25968 1 1252 . 1 1 122 122 LYS HD2 H 1 1.74981 0.05 . 2 . . . . 122 LYS HD2 . 25968 1 1253 . 1 1 122 122 LYS HD3 H 1 1.74981 0.05 . 2 . . . . 122 LYS HD3 . 25968 1 1254 . 1 1 122 122 LYS HE2 H 1 2.92179 0.05 . 2 . . . . 122 LYS HE2 . 25968 1 1255 . 1 1 122 122 LYS HE3 H 1 2.92179 0.05 . 2 . . . . 122 LYS HE3 . 25968 1 1256 . 1 1 122 122 LYS C C 13 176.60153 0.1 . 1 . . . . 122 LYS C . 25968 1 1257 . 1 1 122 122 LYS CA C 13 55.76382 0.15 . 1 . . . . 122 LYS CA . 25968 1 1258 . 1 1 122 122 LYS CB C 13 34.46422 0.15 . 1 . . . . 122 LYS CB . 25968 1 1259 . 1 1 122 122 LYS CG C 13 25.37738 0.2 . 1 . . . . 122 LYS CG . 25968 1 1260 . 1 1 122 122 LYS CD C 13 29.37246 0.2 . 1 . . . . 122 LYS CD . 25968 1 1261 . 1 1 122 122 LYS CE C 13 42.29673 0.2 . 1 . . . . 122 LYS CE . 25968 1 1262 . 1 1 122 122 LYS N N 15 121.07103 0.05 . 1 . . . . 122 LYS N . 25968 1 1263 . 1 1 123 123 GLY H H 1 8.33352 0.01 . 1 . . . . 123 GLY H . 25968 1 1264 . 1 1 123 123 GLY HA2 H 1 4.79838 0.05 . 1 . . . . 123 GLY HA2 . 25968 1 1265 . 1 1 123 123 GLY HA3 H 1 3.99908 0.05 . 1 . . . . 123 GLY HA3 . 25968 1 1266 . 1 1 123 123 GLY CA C 13 45.40959 0.15 . 1 . . . . 123 GLY CA . 25968 1 1267 . 1 1 123 123 GLY N N 15 107.99706 0.05 . 1 . . . . 123 GLY N . 25968 1 1268 . 1 1 124 124 ASN HA H 1 4.85446 0.05 . 1 . . . . 124 ASN HA . 25968 1 1269 . 1 1 124 124 ASN HB2 H 1 2.91436 0.05 . 1 . . . . 124 ASN HB2 . 25968 1 1270 . 1 1 124 124 ASN HB3 H 1 2.77929 0.05 . 1 . . . . 124 ASN HB3 . 25968 1 1271 . 1 1 124 124 ASN HD21 H 1 7.5917 0.05 . 1 . . . . 124 ASN HD21 . 25968 1 1272 . 1 1 124 124 ASN HD22 H 1 6.87962 0.05 . 1 . . . . 124 ASN HD22 . 25968 1 1273 . 1 1 124 124 ASN C C 13 174.66672 0.1 . 1 . . . . 124 ASN C . 25968 1 1274 . 1 1 124 124 ASN CA C 13 53.04335 0.15 . 1 . . . . 124 ASN CA . 25968 1 1275 . 1 1 124 124 ASN CB C 13 38.50241 0.15 . 1 . . . . 124 ASN CB . 25968 1 1276 . 1 1 124 124 ASN CG C 13 177.67995 0.2 . 1 . . . . 124 ASN CG . 25968 1 1277 . 1 1 124 124 ASN ND2 N 15 112.33678 0.05 . 1 . . . . 124 ASN ND2 . 25968 1 1278 . 1 1 125 125 ILE H H 1 7.57886 0.01 . 1 . . . . 125 ILE H . 25968 1 1279 . 1 1 125 125 ILE HA H 1 4.25408 0.05 . 1 . . . . 125 ILE HA . 25968 1 1280 . 1 1 125 125 ILE HB H 1 1.89754 0.05 . 1 . . . . 125 ILE HB . 25968 1 1281 . 1 1 125 125 ILE HG12 H 1 1.41844 0.05 . 1 . . . . 125 ILE HG12 . 25968 1 1282 . 1 1 125 125 ILE HG13 H 1 1.18789 0.05 . 1 . . . . 125 ILE HG13 . 25968 1 1283 . 1 1 125 125 ILE HG21 H 1 0.88843 0.01 . 1 . . . . 125 ILE MG . 25968 1 1284 . 1 1 125 125 ILE HG22 H 1 0.88843 0.01 . 1 . . . . 125 ILE MG . 25968 1 1285 . 1 1 125 125 ILE HG23 H 1 0.88843 0.01 . 1 . . . . 125 ILE MG . 25968 1 1286 . 1 1 125 125 ILE HD11 H 1 0.84169 0.01 . 1 . . . . 125 ILE MD . 25968 1 1287 . 1 1 125 125 ILE HD12 H 1 0.84169 0.01 . 1 . . . . 125 ILE MD . 25968 1 1288 . 1 1 125 125 ILE HD13 H 1 0.84169 0.01 . 1 . . . . 125 ILE MD . 25968 1 1289 . 1 1 125 125 ILE C C 13 174.40919 0.1 . 1 . . . . 125 ILE C . 25968 1 1290 . 1 1 125 125 ILE CA C 13 60.19451 0.15 . 1 . . . . 125 ILE CA . 25968 1 1291 . 1 1 125 125 ILE CB C 13 39.55598 0.15 . 1 . . . . 125 ILE CB . 25968 1 1292 . 1 1 125 125 ILE CG1 C 13 27.40906 0.2 . 1 . . . . 125 ILE CG1 . 25968 1 1293 . 1 1 125 125 ILE CG2 C 13 17.72359 0.2 . 1 . . . . 125 ILE CG2 . 25968 1 1294 . 1 1 125 125 ILE CD1 C 13 13.23066 0.2 . 1 . . . . 125 ILE CD1 . 25968 1 1295 . 1 1 125 125 ILE N N 15 119.83681 0.05 . 1 . . . . 125 ILE N . 25968 1 1296 . 1 1 126 126 GLU H H 1 8.23066 0.01 . 1 . . . . 126 GLU H . 25968 1 1297 . 1 1 126 126 GLU HA H 1 4.06388 0.05 . 1 . . . . 126 GLU HA . 25968 1 1298 . 1 1 126 126 GLU HB2 H 1 1.82033 0.05 . 2 . . . . 126 GLU HB2 . 25968 1 1299 . 1 1 126 126 GLU HB3 H 1 1.82033 0.05 . 2 . . . . 126 GLU HB3 . 25968 1 1300 . 1 1 126 126 GLU CA C 13 55.33253 0.15 . 1 . . . . 126 GLU CA . 25968 1 1301 . 1 1 126 126 GLU CB C 13 31.30335 0.15 . 1 . . . . 126 GLU CB . 25968 1 1302 . 1 1 126 126 GLU N N 15 124.9704 0.05 . 1 . . . . 126 GLU N . 25968 1 1303 . 1 1 127 127 ILE HA H 1 4.05031 0.05 . 1 . . . . 127 ILE HA . 25968 1 1304 . 1 1 127 127 ILE HG21 H 1 0.32579 0.01 . 1 . . . . 127 ILE MG . 25968 1 1305 . 1 1 127 127 ILE HG22 H 1 0.32579 0.01 . 1 . . . . 127 ILE MG . 25968 1 1306 . 1 1 127 127 ILE HG23 H 1 0.32579 0.01 . 1 . . . . 127 ILE MG . 25968 1 1307 . 1 1 127 127 ILE HD11 H 1 0.44249 0.01 . 1 . . . . 127 ILE MD . 25968 1 1308 . 1 1 127 127 ILE HD12 H 1 0.44249 0.01 . 1 . . . . 127 ILE MD . 25968 1 1309 . 1 1 127 127 ILE HD13 H 1 0.44249 0.01 . 1 . . . . 127 ILE MD . 25968 1 1310 . 1 1 127 127 ILE C C 13 174.73334 0.1 . 1 . . . . 127 ILE C . 25968 1 1311 . 1 1 127 127 ILE CA C 13 58.8283 0.15 . 1 . . . . 127 ILE CA . 25968 1 1312 . 1 1 127 127 ILE CB C 13 37.16747 0.15 . 1 . . . . 127 ILE CB . 25968 1 1313 . 1 1 127 127 ILE CG1 C 13 27.15741 0.2 . 1 . . . . 127 ILE CG1 . 25968 1 1314 . 1 1 127 127 ILE CG2 C 13 17.39652 0.2 . 1 . . . . 127 ILE CG2 . 25968 1 1315 . 1 1 127 127 ILE CD1 C 13 10.71901 0.2 . 1 . . . . 127 ILE CD1 . 25968 1 1316 . 1 1 128 128 LYS H H 1 9.24925 0.01 . 1 . . . . 128 LYS H . 25968 1 1317 . 1 1 128 128 LYS HA H 1 4.51692 0.05 . 1 . . . . 128 LYS HA . 25968 1 1318 . 1 1 128 128 LYS HB2 H 1 1.98305 0.05 . 2 . . . . 128 LYS HB2 . 25968 1 1319 . 1 1 128 128 LYS HB3 H 1 1.98305 0.05 . 2 . . . . 128 LYS HB3 . 25968 1 1320 . 1 1 128 128 LYS HG2 H 1 1.36857 0.05 . 2 . . . . 128 LYS HG2 . 25968 1 1321 . 1 1 128 128 LYS HG3 H 1 1.36857 0.05 . 2 . . . . 128 LYS HG3 . 25968 1 1322 . 1 1 128 128 LYS HD2 H 1 1.61353 0.05 . 2 . . . . 128 LYS HD2 . 25968 1 1323 . 1 1 128 128 LYS HD3 H 1 1.61353 0.05 . 2 . . . . 128 LYS HD3 . 25968 1 1324 . 1 1 128 128 LYS HE2 H 1 2.91616 0.05 . 2 . . . . 128 LYS HE2 . 25968 1 1325 . 1 1 128 128 LYS HE3 H 1 2.91616 0.05 . 2 . . . . 128 LYS HE3 . 25968 1 1326 . 1 1 128 128 LYS C C 13 177.20625 0.1 . 1 . . . . 128 LYS C . 25968 1 1327 . 1 1 128 128 LYS CA C 13 54.85895 0.15 . 1 . . . . 128 LYS CA . 25968 1 1328 . 1 1 128 128 LYS CB C 13 34.52979 0.15 . 1 . . . . 128 LYS CB . 25968 1 1329 . 1 1 128 128 LYS CG C 13 25.20094 0.2 . 1 . . . . 128 LYS CG . 25968 1 1330 . 1 1 128 128 LYS CD C 13 29.04893 0.2 . 1 . . . . 128 LYS CD . 25968 1 1331 . 1 1 128 128 LYS CE C 13 42.30494 0.2 . 1 . . . . 128 LYS CE . 25968 1 1332 . 1 1 128 128 LYS N N 15 127.65188 0.05 . 1 . . . . 128 LYS N . 25968 1 1333 . 1 1 129 129 GLU H H 1 8.83616 0.01 . 1 . . . . 129 GLU H . 25968 1 1334 . 1 1 129 129 GLU HA H 1 4.79671 0.05 . 1 . . . . 129 GLU HA . 25968 1 1335 . 1 1 129 129 GLU HB2 H 1 1.99331 0.05 . 2 . . . . 129 GLU HB2 . 25968 1 1336 . 1 1 129 129 GLU HB3 H 1 1.99331 0.05 . 2 . . . . 129 GLU HB3 . 25968 1 1337 . 1 1 129 129 GLU HG2 H 1 2.26842 0.05 . 2 . . . . 129 GLU HG2 . 25968 1 1338 . 1 1 129 129 GLU HG3 H 1 2.26842 0.05 . 2 . . . . 129 GLU HG3 . 25968 1 1339 . 1 1 129 129 GLU C C 13 178.70916 0.1 . 1 . . . . 129 GLU C . 25968 1 1340 . 1 1 129 129 GLU CA C 13 59.54267 0.15 . 1 . . . . 129 GLU CA . 25968 1 1341 . 1 1 129 129 GLU CB C 13 29.48706 0.15 . 1 . . . . 129 GLU CB . 25968 1 1342 . 1 1 129 129 GLU CG C 13 36.19628 0.2 . 1 . . . . 129 GLU CG . 25968 1 1343 . 1 1 129 129 GLU N N 15 122.95941 0.05 . 1 . . . . 129 GLU N . 25968 1 1344 . 1 1 130 130 GLU H H 1 8.9213 0.01 . 1 . . . . 130 GLU H . 25968 1 1345 . 1 1 130 130 GLU HA H 1 4.80528 0.05 . 1 . . . . 130 GLU HA . 25968 1 1346 . 1 1 130 130 GLU HB2 H 1 1.85939 0.05 . 2 . . . . 130 GLU HB2 . 25968 1 1347 . 1 1 130 130 GLU HB3 H 1 1.85939 0.05 . 2 . . . . 130 GLU HB3 . 25968 1 1348 . 1 1 130 130 GLU HG2 H 1 1.97564 0.05 . 2 . . . . 130 GLU HG2 . 25968 1 1349 . 1 1 130 130 GLU HG3 H 1 1.97564 0.05 . 2 . . . . 130 GLU HG3 . 25968 1 1350 . 1 1 130 130 GLU C C 13 177.71345 0.1 . 1 . . . . 130 GLU C . 25968 1 1351 . 1 1 130 130 GLU CA C 13 59.15715 0.15 . 1 . . . . 130 GLU CA . 25968 1 1352 . 1 1 130 130 GLU CB C 13 29.18297 0.15 . 1 . . . . 130 GLU CB . 25968 1 1353 . 1 1 130 130 GLU CG C 13 35.8073 0.2 . 1 . . . . 130 GLU CG . 25968 1 1354 . 1 1 130 130 GLU N N 15 116.65642 0.05 . 1 . . . . 130 GLU N . 25968 1 1355 . 1 1 131 131 HIS H H 1 7.51358 0.01 . 1 . . . . 131 HIS H . 25968 1 1356 . 1 1 131 131 HIS HA H 1 4.41477 0.05 . 1 . . . . 131 HIS HA . 25968 1 1357 . 1 1 131 131 HIS HB2 H 1 3.13337 0.05 . 1 . . . . 131 HIS HB2 . 25968 1 1358 . 1 1 131 131 HIS HB3 H 1 3.13337 0.05 . 1 . . . . 131 HIS HB3 . 25968 1 1359 . 1 1 131 131 HIS C C 13 177.72555 0.1 . 1 . . . . 131 HIS C . 25968 1 1360 . 1 1 131 131 HIS CA C 13 58.61344 0.15 . 1 . . . . 131 HIS CA . 25968 1 1361 . 1 1 131 131 HIS CB C 13 31.81444 0.15 . 1 . . . . 131 HIS CB . 25968 1 1362 . 1 1 131 131 HIS N N 15 117.8554 0.05 . 1 . . . . 131 HIS N . 25968 1 1363 . 1 1 132 132 VAL H H 1 7.13123 0.01 . 1 . . . . 132 VAL H . 25968 1 1364 . 1 1 132 132 VAL HA H 1 4.05404 0.05 . 1 . . . . 132 VAL HA . 25968 1 1365 . 1 1 132 132 VAL HB H 1 1.94148 0.05 . 1 . . . . 132 VAL HB . 25968 1 1366 . 1 1 132 132 VAL HG11 H 1 0.23266 0.01 . 1 . . . . 132 VAL MG1 . 25968 1 1367 . 1 1 132 132 VAL HG12 H 1 0.23266 0.01 . 1 . . . . 132 VAL MG1 . 25968 1 1368 . 1 1 132 132 VAL HG13 H 1 0.23266 0.01 . 1 . . . . 132 VAL MG1 . 25968 1 1369 . 1 1 132 132 VAL HG21 H 1 0.07972 0.01 . 1 . . . . 132 VAL MG2 . 25968 1 1370 . 1 1 132 132 VAL HG22 H 1 0.07972 0.01 . 1 . . . . 132 VAL MG2 . 25968 1 1371 . 1 1 132 132 VAL HG23 H 1 0.07972 0.01 . 1 . . . . 132 VAL MG2 . 25968 1 1372 . 1 1 132 132 VAL C C 13 177.41592 0.1 . 1 . . . . 132 VAL C . 25968 1 1373 . 1 1 132 132 VAL CA C 13 62.30269 0.15 . 1 . . . . 132 VAL CA . 25968 1 1374 . 1 1 132 132 VAL CB C 13 31.81396 0.15 . 1 . . . . 132 VAL CB . 25968 1 1375 . 1 1 132 132 VAL CG1 C 13 21.02982 0.2 . 1 . . . . 132 VAL CG1 . 25968 1 1376 . 1 1 132 132 VAL CG2 C 13 19.29922 0.2 . 1 . . . . 132 VAL CG2 . 25968 1 1377 . 1 1 132 132 VAL N N 15 114.65704 0.05 . 1 . . . . 132 VAL N . 25968 1 1378 . 1 1 133 133 LYS H H 1 7.61417 0.01 . 1 . . . . 133 LYS H . 25968 1 1379 . 1 1 133 133 LYS HA H 1 4.16267 0.05 . 1 . . . . 133 LYS HA . 25968 1 1380 . 1 1 133 133 LYS HB2 H 1 1.8316 0.05 . 2 . . . . 133 LYS HB2 . 25968 1 1381 . 1 1 133 133 LYS HB3 H 1 1.8316 0.05 . 2 . . . . 133 LYS HB3 . 25968 1 1382 . 1 1 133 133 LYS HG2 H 1 1.44353 0.05 . 2 . . . . 133 LYS HG2 . 25968 1 1383 . 1 1 133 133 LYS HG3 H 1 1.44353 0.05 . 2 . . . . 133 LYS HG3 . 25968 1 1384 . 1 1 133 133 LYS HD2 H 1 1.67563 0.05 . 2 . . . . 133 LYS HD2 . 25968 1 1385 . 1 1 133 133 LYS HD3 H 1 1.67563 0.05 . 2 . . . . 133 LYS HD3 . 25968 1 1386 . 1 1 133 133 LYS HE2 H 1 2.92639 0.05 . 2 . . . . 133 LYS HE2 . 25968 1 1387 . 1 1 133 133 LYS HE3 H 1 2.92639 0.05 . 2 . . . . 133 LYS HE3 . 25968 1 1388 . 1 1 133 133 LYS C C 13 177.91253 0.1 . 1 . . . . 133 LYS C . 25968 1 1389 . 1 1 133 133 LYS CA C 13 59.78968 0.15 . 1 . . . . 133 LYS CA . 25968 1 1390 . 1 1 133 133 LYS CB C 13 32.94675 0.15 . 1 . . . . 133 LYS CB . 25968 1 1391 . 1 1 133 133 LYS CG C 13 24.91708 0.2 . 1 . . . . 133 LYS CG . 25968 1 1392 . 1 1 133 133 LYS CD C 13 29.54095 0.2 . 1 . . . . 133 LYS CD . 25968 1 1393 . 1 1 133 133 LYS CE C 13 41.76479 0.2 . 1 . . . . 133 LYS CE . 25968 1 1394 . 1 1 133 133 LYS N N 15 122.68134 0.05 . 1 . . . . 133 LYS N . 25968 1 1395 . 1 1 134 134 VAL H H 1 8.06063 0.01 . 1 . . . . 134 VAL H . 25968 1 1396 . 1 1 134 134 VAL HA H 1 3.81604 0.05 . 1 . . . . 134 VAL HA . 25968 1 1397 . 1 1 134 134 VAL HB H 1 2.03916 0.05 . 1 . . . . 134 VAL HB . 25968 1 1398 . 1 1 134 134 VAL HG11 H 1 0.92929 0.01 . 1 . . . . 134 VAL MG1 . 25968 1 1399 . 1 1 134 134 VAL HG12 H 1 0.92929 0.01 . 1 . . . . 134 VAL MG1 . 25968 1 1400 . 1 1 134 134 VAL HG13 H 1 0.92929 0.01 . 1 . . . . 134 VAL MG1 . 25968 1 1401 . 1 1 134 134 VAL HG21 H 1 1.04798 0.01 . 1 . . . . 134 VAL MG2 . 25968 1 1402 . 1 1 134 134 VAL HG22 H 1 1.04798 0.01 . 1 . . . . 134 VAL MG2 . 25968 1 1403 . 1 1 134 134 VAL HG23 H 1 1.04798 0.01 . 1 . . . . 134 VAL MG2 . 25968 1 1404 . 1 1 134 134 VAL C C 13 178.53396 0.1 . 1 . . . . 134 VAL C . 25968 1 1405 . 1 1 134 134 VAL CA C 13 65.89071 0.15 . 1 . . . . 134 VAL CA . 25968 1 1406 . 1 1 134 134 VAL CB C 13 31.58209 0.15 . 1 . . . . 134 VAL CB . 25968 1 1407 . 1 1 134 134 VAL CG1 C 13 21.14745 0.2 . 1 . . . . 134 VAL CG1 . 25968 1 1408 . 1 1 134 134 VAL CG2 C 13 22.57122 0.2 . 1 . . . . 134 VAL CG2 . 25968 1 1409 . 1 1 134 134 VAL N N 15 119.21932 0.05 . 1 . . . . 134 VAL N . 25968 1 1410 . 1 1 135 135 GLY H H 1 8.02975 0.01 . 1 . . . . 135 GLY H . 25968 1 1411 . 1 1 135 135 GLY HA2 H 1 3.88507 0.05 . 1 . . . . 135 GLY HA2 . 25968 1 1412 . 1 1 135 135 GLY HA3 H 1 3.88486 0.05 . 1 . . . . 135 GLY HA3 . 25968 1 1413 . 1 1 135 135 GLY C C 13 176.94929 0.1 . 1 . . . . 135 GLY C . 25968 1 1414 . 1 1 135 135 GLY CA C 13 47.06587 0.15 . 1 . . . . 135 GLY CA . 25968 1 1415 . 1 1 135 135 GLY N N 15 108.16327 0.05 . 1 . . . . 135 GLY N . 25968 1 1416 . 1 1 136 136 LYS H H 1 7.97463 0.01 . 1 . . . . 136 LYS H . 25968 1 1417 . 1 1 136 136 LYS HA H 1 4.11654 0.05 . 1 . . . . 136 LYS HA . 25968 1 1418 . 1 1 136 136 LYS HB2 H 1 1.93406 0.05 . 2 . . . . 136 LYS HB2 . 25968 1 1419 . 1 1 136 136 LYS HB3 H 1 1.93406 0.05 . 2 . . . . 136 LYS HB3 . 25968 1 1420 . 1 1 136 136 LYS HG2 H 1 1.39038 0.05 . 2 . . . . 136 LYS HG2 . 25968 1 1421 . 1 1 136 136 LYS HG3 H 1 1.39038 0.05 . 2 . . . . 136 LYS HG3 . 25968 1 1422 . 1 1 136 136 LYS HD2 H 1 1.5968 0.05 . 2 . . . . 136 LYS HD2 . 25968 1 1423 . 1 1 136 136 LYS HD3 H 1 1.5968 0.05 . 2 . . . . 136 LYS HD3 . 25968 1 1424 . 1 1 136 136 LYS HE2 H 1 2.8587 0.05 . 2 . . . . 136 LYS HE2 . 25968 1 1425 . 1 1 136 136 LYS HE3 H 1 2.8587 0.05 . 2 . . . . 136 LYS HE3 . 25968 1 1426 . 1 1 136 136 LYS C C 13 178.41926 0.1 . 1 . . . . 136 LYS C . 25968 1 1427 . 1 1 136 136 LYS CA C 13 59.60759 0.15 . 1 . . . . 136 LYS CA . 25968 1 1428 . 1 1 136 136 LYS CB C 13 32.60338 0.15 . 1 . . . . 136 LYS CB . 25968 1 1429 . 1 1 136 136 LYS CG C 13 24.97451 0.2 . 1 . . . . 136 LYS CG . 25968 1 1430 . 1 1 136 136 LYS CD C 13 30.02714 0.2 . 1 . . . . 136 LYS CD . 25968 1 1431 . 1 1 136 136 LYS CE C 13 42.0548 0.2 . 1 . . . . 136 LYS CE . 25968 1 1432 . 1 1 136 136 LYS N N 15 123.70503 0.05 . 1 . . . . 136 LYS N . 25968 1 1433 . 1 1 137 137 GLU H H 1 8.29421 0.01 . 1 . . . . 137 GLU H . 25968 1 1434 . 1 1 137 137 GLU HA H 1 4.78595 0.05 . 1 . . . . 137 GLU HA . 25968 1 1435 . 1 1 137 137 GLU HB2 H 1 2.03218 0.05 . 1 . . . . 137 GLU HB2 . 25968 1 1436 . 1 1 137 137 GLU HB3 H 1 1.95312 0.05 . 1 . . . . 137 GLU HB3 . 25968 1 1437 . 1 1 137 137 GLU HG2 H 1 2.4559 0.05 . 1 . . . . 137 GLU HG2 . 25968 1 1438 . 1 1 137 137 GLU HG3 H 1 2.31505 0.05 . 1 . . . . 137 GLU HG3 . 25968 1 1439 . 1 1 137 137 GLU C C 13 180.33499 0.1 . 1 . . . . 137 GLU C . 25968 1 1440 . 1 1 137 137 GLU CA C 13 59.3102 0.15 . 1 . . . . 137 GLU CA . 25968 1 1441 . 1 1 137 137 GLU CB C 13 29.39237 0.15 . 1 . . . . 137 GLU CB . 25968 1 1442 . 1 1 137 137 GLU CG C 13 36.64279 0.2 . 1 . . . . 137 GLU CG . 25968 1 1443 . 1 1 137 137 GLU N N 15 119.90316 0.05 . 1 . . . . 137 GLU N . 25968 1 1444 . 1 1 138 138 LYS H H 1 8.41241 0.01 . 1 . . . . 138 LYS H . 25968 1 1445 . 1 1 138 138 LYS HA H 1 4.09226 0.05 . 1 . . . . 138 LYS HA . 25968 1 1446 . 1 1 138 138 LYS HB2 H 1 1.84071 0.05 . 2 . . . . 138 LYS HB2 . 25968 1 1447 . 1 1 138 138 LYS HB3 H 1 1.84071 0.05 . 2 . . . . 138 LYS HB3 . 25968 1 1448 . 1 1 138 138 LYS HG2 H 1 1.41865 0.05 . 2 . . . . 138 LYS HG2 . 25968 1 1449 . 1 1 138 138 LYS HG3 H 1 1.41865 0.05 . 2 . . . . 138 LYS HG3 . 25968 1 1450 . 1 1 138 138 LYS HD2 H 1 1.56019 0.05 . 2 . . . . 138 LYS HD2 . 25968 1 1451 . 1 1 138 138 LYS HD3 H 1 1.56019 0.05 . 2 . . . . 138 LYS HD3 . 25968 1 1452 . 1 1 138 138 LYS HE2 H 1 2.78588 0.05 . 2 . . . . 138 LYS HE2 . 25968 1 1453 . 1 1 138 138 LYS HE3 H 1 2.78588 0.05 . 2 . . . . 138 LYS HE3 . 25968 1 1454 . 1 1 138 138 LYS C C 13 179.43181 0.1 . 1 . . . . 138 LYS C . 25968 1 1455 . 1 1 138 138 LYS CA C 13 59.21212 0.15 . 1 . . . . 138 LYS CA . 25968 1 1456 . 1 1 138 138 LYS CB C 13 32.35006 0.15 . 1 . . . . 138 LYS CB . 25968 1 1457 . 1 1 138 138 LYS CG C 13 25.41019 0.2 . 1 . . . . 138 LYS CG . 25968 1 1458 . 1 1 138 138 LYS CD C 13 29.22051 0.2 . 1 . . . . 138 LYS CD . 25968 1 1459 . 1 1 138 138 LYS CE C 13 42.08177 0.2 . 1 . . . . 138 LYS CE . 25968 1 1460 . 1 1 138 138 LYS N N 15 120.97842 0.05 . 1 . . . . 138 LYS N . 25968 1 1461 . 1 1 139 139 ALA H H 1 7.87263 0.01 . 1 . . . . 139 ALA H . 25968 1 1462 . 1 1 139 139 ALA HA H 1 4.02266 0.05 . 1 . . . . 139 ALA HA . 25968 1 1463 . 1 1 139 139 ALA HB1 H 1 1.49518 0.01 . 1 . . . . 139 ALA MB . 25968 1 1464 . 1 1 139 139 ALA HB2 H 1 1.49518 0.01 . 1 . . . . 139 ALA MB . 25968 1 1465 . 1 1 139 139 ALA HB3 H 1 1.49518 0.01 . 1 . . . . 139 ALA MB . 25968 1 1466 . 1 1 139 139 ALA C C 13 179.73202 0.1 . 1 . . . . 139 ALA C . 25968 1 1467 . 1 1 139 139 ALA CA C 13 55.14725 0.15 . 1 . . . . 139 ALA CA . 25968 1 1468 . 1 1 139 139 ALA CB C 13 18.24125 0.15 . 1 . . . . 139 ALA CB . 25968 1 1469 . 1 1 139 139 ALA N N 15 122.4254 0.05 . 1 . . . . 139 ALA N . 25968 1 1470 . 1 1 140 140 HIS H H 1 8.44588 0.01 . 1 . . . . 140 HIS H . 25968 1 1471 . 1 1 140 140 HIS HA H 1 4.00526 0.05 . 1 . . . . 140 HIS HA . 25968 1 1472 . 1 1 140 140 HIS HB2 H 1 3.10807 0.05 . 2 . . . . 140 HIS HB2 . 25968 1 1473 . 1 1 140 140 HIS HB3 H 1 3.10807 0.05 . 2 . . . . 140 HIS HB3 . 25968 1 1474 . 1 1 140 140 HIS C C 13 177.75596 0.1 . 1 . . . . 140 HIS C . 25968 1 1475 . 1 1 140 140 HIS CA C 13 58.97997 0.15 . 1 . . . . 140 HIS CA . 25968 1 1476 . 1 1 140 140 HIS CB C 13 30.78851 0.15 . 1 . . . . 140 HIS CB . 25968 1 1477 . 1 1 140 140 HIS N N 15 118.56012 0.05 . 1 . . . . 140 HIS N . 25968 1 1478 . 1 1 141 141 GLY H H 1 8.27341 0.01 . 1 . . . . 141 GLY H . 25968 1 1479 . 1 1 141 141 GLY HA2 H 1 3.93247 0.05 . 1 . . . . 141 GLY HA2 . 25968 1 1480 . 1 1 141 141 GLY HA3 H 1 3.72985 0.05 . 1 . . . . 141 GLY HA3 . 25968 1 1481 . 1 1 141 141 GLY C C 13 176.51362 0.1 . 1 . . . . 141 GLY C . 25968 1 1482 . 1 1 141 141 GLY CA C 13 47.25111 0.15 . 1 . . . . 141 GLY CA . 25968 1 1483 . 1 1 141 141 GLY N N 15 105.93364 0.05 . 1 . . . . 141 GLY N . 25968 1 1484 . 1 1 142 142 LEU H H 1 7.63025 0.01 . 1 . . . . 142 LEU H . 25968 1 1485 . 1 1 142 142 LEU HA H 1 4.15245 0.05 . 1 . . . . 142 LEU HA . 25968 1 1486 . 1 1 142 142 LEU HB2 H 1 1.65649 0.05 . 2 . . . . 142 LEU HB2 . 25968 1 1487 . 1 1 142 142 LEU HB3 H 1 1.65649 0.05 . 2 . . . . 142 LEU HB3 . 25968 1 1488 . 1 1 142 142 LEU HG H 1 1.65635 0.05 . 1 . . . . 142 LEU HG . 25968 1 1489 . 1 1 142 142 LEU HD11 H 1 0.87004 0.01 . 2 . . . . 142 LEU MD1 . 25968 1 1490 . 1 1 142 142 LEU HD12 H 1 0.87004 0.01 . 2 . . . . 142 LEU MD1 . 25968 1 1491 . 1 1 142 142 LEU HD13 H 1 0.87004 0.01 . 2 . . . . 142 LEU MD1 . 25968 1 1492 . 1 1 142 142 LEU HD21 H 1 0.87004 0.01 . 2 . . . . 142 LEU MD2 . 25968 1 1493 . 1 1 142 142 LEU HD22 H 1 0.87004 0.01 . 2 . . . . 142 LEU MD2 . 25968 1 1494 . 1 1 142 142 LEU HD23 H 1 0.87004 0.01 . 2 . . . . 142 LEU MD2 . 25968 1 1495 . 1 1 142 142 LEU C C 13 178.57665 0.1 . 1 . . . . 142 LEU C . 25968 1 1496 . 1 1 142 142 LEU CA C 13 57.81953 0.15 . 1 . . . . 142 LEU CA . 25968 1 1497 . 1 1 142 142 LEU CB C 13 41.46304 0.15 . 1 . . . . 142 LEU CB . 25968 1 1498 . 1 1 142 142 LEU CD1 C 13 24.33641 0.2 . 2 . . . . 142 LEU CD1 . 25968 1 1499 . 1 1 142 142 LEU CD2 C 13 24.33641 0.2 . 2 . . . . 142 LEU CD2 . 25968 1 1500 . 1 1 142 142 LEU N N 15 122.83797 0.05 . 1 . . . . 142 LEU N . 25968 1 1501 . 1 1 143 143 PHE H H 1 7.99795 0.01 . 1 . . . . 143 PHE H . 25968 1 1502 . 1 1 143 143 PHE HA H 1 4.11893 0.05 . 1 . . . . 143 PHE HA . 25968 1 1503 . 1 1 143 143 PHE HB2 H 1 2.78925 0.05 . 2 . . . . 143 PHE HB2 . 25968 1 1504 . 1 1 143 143 PHE HB3 H 1 2.78925 0.05 . 2 . . . . 143 PHE HB3 . 25968 1 1505 . 1 1 143 143 PHE C C 13 177.87255 0.1 . 1 . . . . 143 PHE C . 25968 1 1506 . 1 1 143 143 PHE CA C 13 61.57484 0.15 . 1 . . . . 143 PHE CA . 25968 1 1507 . 1 1 143 143 PHE CB C 13 37.66737 0.15 . 1 . . . . 143 PHE CB . 25968 1 1508 . 1 1 143 143 PHE N N 15 118.57501 0.05 . 1 . . . . 143 PHE N . 25968 1 1509 . 1 1 144 144 LYS H H 1 8.26425 0.01 . 1 . . . . 144 LYS H . 25968 1 1510 . 1 1 144 144 LYS HA H 1 3.94189 0.05 . 1 . . . . 144 LYS HA . 25968 1 1511 . 1 1 144 144 LYS HB2 H 1 1.87947 0.05 . 2 . . . . 144 LYS HB2 . 25968 1 1512 . 1 1 144 144 LYS HB3 H 1 1.87947 0.05 . 2 . . . . 144 LYS HB3 . 25968 1 1513 . 1 1 144 144 LYS HG2 H 1 1.46156 0.05 . 2 . . . . 144 LYS HG2 . 25968 1 1514 . 1 1 144 144 LYS HG3 H 1 1.46156 0.05 . 2 . . . . 144 LYS HG3 . 25968 1 1515 . 1 1 144 144 LYS HD2 H 1 1.65253 0.05 . 2 . . . . 144 LYS HD2 . 25968 1 1516 . 1 1 144 144 LYS HD3 H 1 1.65253 0.05 . 2 . . . . 144 LYS HD3 . 25968 1 1517 . 1 1 144 144 LYS HE2 H 1 2.90304 0.05 . 2 . . . . 144 LYS HE2 . 25968 1 1518 . 1 1 144 144 LYS HE3 H 1 2.78286 0.05 . 2 . . . . 144 LYS HE3 . 25968 1 1519 . 1 1 144 144 LYS C C 13 179.41525 0.1 . 1 . . . . 144 LYS C . 25968 1 1520 . 1 1 144 144 LYS CA C 13 58.97628 0.15 . 1 . . . . 144 LYS CA . 25968 1 1521 . 1 1 144 144 LYS CB C 13 31.6841 0.15 . 1 . . . . 144 LYS CB . 25968 1 1522 . 1 1 144 144 LYS CG C 13 24.85368 0.2 . 1 . . . . 144 LYS CG . 25968 1 1523 . 1 1 144 144 LYS CD C 13 28.59112 0.2 . 1 . . . . 144 LYS CD . 25968 1 1524 . 1 1 144 144 LYS CE C 13 41.76572 0.2 . 1 . . . . 144 LYS CE . 25968 1 1525 . 1 1 144 144 LYS N N 15 118.56074 0.05 . 1 . . . . 144 LYS N . 25968 1 1526 . 1 1 145 145 LEU H H 1 7.58096 0.01 . 1 . . . . 145 LEU H . 25968 1 1527 . 1 1 145 145 LEU HA H 1 4.15564 0.05 . 1 . . . . 145 LEU HA . 25968 1 1528 . 1 1 145 145 LEU HB2 H 1 2.03953 0.05 . 2 . . . . 145 LEU HB2 . 25968 1 1529 . 1 1 145 145 LEU HB3 H 1 2.03953 0.05 . 2 . . . . 145 LEU HB3 . 25968 1 1530 . 1 1 145 145 LEU HG H 1 1.52353 0.05 . 1 . . . . 145 LEU HG . 25968 1 1531 . 1 1 145 145 LEU HD11 H 1 0.93241 0.01 . 1 . . . . 145 LEU MD1 . 25968 1 1532 . 1 1 145 145 LEU HD12 H 1 0.93241 0.01 . 1 . . . . 145 LEU MD1 . 25968 1 1533 . 1 1 145 145 LEU HD13 H 1 0.93241 0.01 . 1 . . . . 145 LEU MD1 . 25968 1 1534 . 1 1 145 145 LEU HD21 H 1 0.9271 0.01 . 1 . . . . 145 LEU MD2 . 25968 1 1535 . 1 1 145 145 LEU HD22 H 1 0.9271 0.01 . 1 . . . . 145 LEU MD2 . 25968 1 1536 . 1 1 145 145 LEU HD23 H 1 0.9271 0.01 . 1 . . . . 145 LEU MD2 . 25968 1 1537 . 1 1 145 145 LEU C C 13 180.17308 0.1 . 1 . . . . 145 LEU C . 25968 1 1538 . 1 1 145 145 LEU CA C 13 58.27033 0.15 . 1 . . . . 145 LEU CA . 25968 1 1539 . 1 1 145 145 LEU CB C 13 42.39504 0.15 . 1 . . . . 145 LEU CB . 25968 1 1540 . 1 1 145 145 LEU CG C 13 26.70104 0.2 . 1 . . . . 145 LEU CG . 25968 1 1541 . 1 1 145 145 LEU CD1 C 13 25.5253 0.2 . 1 . . . . 145 LEU CD1 . 25968 1 1542 . 1 1 145 145 LEU CD2 C 13 23.50919 0.2 . 1 . . . . 145 LEU CD2 . 25968 1 1543 . 1 1 145 145 LEU N N 15 120.44096 0.05 . 1 . . . . 145 LEU N . 25968 1 1544 . 1 1 146 146 ILE H H 1 7.95673 0.01 . 1 . . . . 146 ILE H . 25968 1 1545 . 1 1 146 146 ILE HA H 1 3.51987 0.05 . 1 . . . . 146 ILE HA . 25968 1 1546 . 1 1 146 146 ILE HB H 1 1.87007 0.05 . 1 . . . . 146 ILE HB . 25968 1 1547 . 1 1 146 146 ILE HG21 H 1 0.65943 0.01 . 1 . . . . 146 ILE MG . 25968 1 1548 . 1 1 146 146 ILE HG22 H 1 0.65943 0.01 . 1 . . . . 146 ILE MG . 25968 1 1549 . 1 1 146 146 ILE HG23 H 1 0.65943 0.01 . 1 . . . . 146 ILE MG . 25968 1 1550 . 1 1 146 146 ILE HD11 H 1 0.7381 0.01 . 1 . . . . 146 ILE MD . 25968 1 1551 . 1 1 146 146 ILE HD12 H 1 0.7381 0.01 . 1 . . . . 146 ILE MD . 25968 1 1552 . 1 1 146 146 ILE HD13 H 1 0.7381 0.01 . 1 . . . . 146 ILE MD . 25968 1 1553 . 1 1 146 146 ILE C C 13 177.03665 0.1 . 1 . . . . 146 ILE C . 25968 1 1554 . 1 1 146 146 ILE CA C 13 65.17067 0.15 . 1 . . . . 146 ILE CA . 25968 1 1555 . 1 1 146 146 ILE CB C 13 37.71055 0.15 . 1 . . . . 146 ILE CB . 25968 1 1556 . 1 1 146 146 ILE CG1 C 13 29.34593 0.2 . 1 . . . . 146 ILE CG1 . 25968 1 1557 . 1 1 146 146 ILE CG2 C 13 17.51827 0.2 . 1 . . . . 146 ILE CG2 . 25968 1 1558 . 1 1 146 146 ILE CD1 C 13 13.68165 0.2 . 1 . . . . 146 ILE CD1 . 25968 1 1559 . 1 1 146 146 ILE N N 15 121.14158 0.05 . 1 . . . . 146 ILE N . 25968 1 1560 . 1 1 147 147 GLU H H 1 8.72791 0.01 . 1 . . . . 147 GLU H . 25968 1 1561 . 1 1 147 147 GLU HA H 1 3.61508 0.05 . 1 . . . . 147 GLU HA . 25968 1 1562 . 1 1 147 147 GLU HB2 H 1 1.94311 0.05 . 2 . . . . 147 GLU HB2 . 25968 1 1563 . 1 1 147 147 GLU HB3 H 1 1.94311 0.05 . 2 . . . . 147 GLU HB3 . 25968 1 1564 . 1 1 147 147 GLU HG2 H 1 2.11945 0.05 . 2 . . . . 147 GLU HG2 . 25968 1 1565 . 1 1 147 147 GLU HG3 H 1 2.11945 0.05 . 2 . . . . 147 GLU HG3 . 25968 1 1566 . 1 1 147 147 GLU C C 13 177.98413 0.1 . 1 . . . . 147 GLU C . 25968 1 1567 . 1 1 147 147 GLU CA C 13 60.28175 0.15 . 1 . . . . 147 GLU CA . 25968 1 1568 . 1 1 147 147 GLU CB C 13 30.31213 0.15 . 1 . . . . 147 GLU CB . 25968 1 1569 . 1 1 147 147 GLU CG C 13 37.0954 0.2 . 1 . . . . 147 GLU CG . 25968 1 1570 . 1 1 147 147 GLU N N 15 120.98039 0.05 . 1 . . . . 147 GLU N . 25968 1 1571 . 1 1 148 148 SER H H 1 8.22321 0.01 . 1 . . . . 148 SER H . 25968 1 1572 . 1 1 148 148 SER HA H 1 4.10879 0.05 . 1 . . . . 148 SER HA . 25968 1 1573 . 1 1 148 148 SER HB2 H 1 3.813 0.05 . 2 . . . . 148 SER HB2 . 25968 1 1574 . 1 1 148 148 SER HB3 H 1 3.813 0.05 . 2 . . . . 148 SER HB3 . 25968 1 1575 . 1 1 148 148 SER C C 13 175.87193 0.1 . 1 . . . . 148 SER C . 25968 1 1576 . 1 1 148 148 SER CA C 13 62.18584 0.15 . 1 . . . . 148 SER CA . 25968 1 1577 . 1 1 148 148 SER N N 15 113.20856 0.05 . 1 . . . . 148 SER N . 25968 1 1578 . 1 1 149 149 TYR H H 1 7.83801 0.01 . 1 . . . . 149 TYR H . 25968 1 1579 . 1 1 149 149 TYR HA H 1 4.3808 0.05 . 1 . . . . 149 TYR HA . 25968 1 1580 . 1 1 149 149 TYR HB2 H 1 3.21828 0.05 . 2 . . . . 149 TYR HB2 . 25968 1 1581 . 1 1 149 149 TYR HB3 H 1 3.21828 0.05 . 2 . . . . 149 TYR HB3 . 25968 1 1582 . 1 1 149 149 TYR C C 13 178.88796 0.1 . 1 . . . . 149 TYR C . 25968 1 1583 . 1 1 149 149 TYR CA C 13 62.49659 0.15 . 1 . . . . 149 TYR CA . 25968 1 1584 . 1 1 149 149 TYR CB C 13 38.49537 0.15 . 1 . . . . 149 TYR CB . 25968 1 1585 . 1 1 149 149 TYR N N 15 121.78068 0.05 . 1 . . . . 149 TYR N . 25968 1 1586 . 1 1 150 150 LEU H H 1 8.58133 0.01 . 1 . . . . 150 LEU H . 25968 1 1587 . 1 1 150 150 LEU HA H 1 4.04434 0.05 . 1 . . . . 150 LEU HA . 25968 1 1588 . 1 1 150 150 LEU HB2 H 1 2.06143 0.05 . 2 . . . . 150 LEU HB2 . 25968 1 1589 . 1 1 150 150 LEU HB3 H 1 2.06143 0.05 . 2 . . . . 150 LEU HB3 . 25968 1 1590 . 1 1 150 150 LEU HG H 1 1.38529 0.05 . 1 . . . . 150 LEU HG . 25968 1 1591 . 1 1 150 150 LEU HD11 H 1 1.01402 0.01 . 1 . . . . 150 LEU MD1 . 25968 1 1592 . 1 1 150 150 LEU HD12 H 1 1.01402 0.01 . 1 . . . . 150 LEU MD1 . 25968 1 1593 . 1 1 150 150 LEU HD13 H 1 1.01402 0.01 . 1 . . . . 150 LEU MD1 . 25968 1 1594 . 1 1 150 150 LEU C C 13 179.92213 0.1 . 1 . . . . 150 LEU C . 25968 1 1595 . 1 1 150 150 LEU CA C 13 57.54918 0.15 . 1 . . . . 150 LEU CA . 25968 1 1596 . 1 1 150 150 LEU CB C 13 41.05037 0.15 . 1 . . . . 150 LEU CB . 25968 1 1597 . 1 1 150 150 LEU CG C 13 27.61987 0.2 . 1 . . . . 150 LEU CG . 25968 1 1598 . 1 1 150 150 LEU CD1 C 13 23.35584 0.2 . 2 . . . . 150 LEU CD1 . 25968 1 1599 . 1 1 150 150 LEU CD2 C 13 23.35584 0.2 . 2 . . . . 150 LEU CD2 . 25968 1 1600 . 1 1 150 150 LEU N N 15 119.48476 0.05 . 1 . . . . 150 LEU N . 25968 1 1601 . 1 1 151 151 LYS H H 1 8.35802 0.01 . 1 . . . . 151 LYS H . 25968 1 1602 . 1 1 151 151 LYS HA H 1 4.03582 0.05 . 1 . . . . 151 LYS HA . 25968 1 1603 . 1 1 151 151 LYS HB2 H 1 1.91036 0.05 . 2 . . . . 151 LYS HB2 . 25968 1 1604 . 1 1 151 151 LYS HB3 H 1 1.91036 0.05 . 2 . . . . 151 LYS HB3 . 25968 1 1605 . 1 1 151 151 LYS HG2 H 1 1.41586 0.05 . 2 . . . . 151 LYS HG2 . 25968 1 1606 . 1 1 151 151 LYS HG3 H 1 1.41586 0.05 . 2 . . . . 151 LYS HG3 . 25968 1 1607 . 1 1 151 151 LYS HD2 H 1 1.63617 0.05 . 2 . . . . 151 LYS HD2 . 25968 1 1608 . 1 1 151 151 LYS HD3 H 1 1.63617 0.05 . 2 . . . . 151 LYS HD3 . 25968 1 1609 . 1 1 151 151 LYS HE2 H 1 2.93671 0.05 . 2 . . . . 151 LYS HE2 . 25968 1 1610 . 1 1 151 151 LYS HE3 H 1 2.93671 0.05 . 2 . . . . 151 LYS HE3 . 25968 1 1611 . 1 1 151 151 LYS C C 13 178.25022 0.1 . 1 . . . . 151 LYS C . 25968 1 1612 . 1 1 151 151 LYS CA C 13 59.36257 0.15 . 1 . . . . 151 LYS CA . 25968 1 1613 . 1 1 151 151 LYS CB C 13 32.28066 0.15 . 1 . . . . 151 LYS CB . 25968 1 1614 . 1 1 151 151 LYS CG C 13 25.71509 0.2 . 1 . . . . 151 LYS CG . 25968 1 1615 . 1 1 151 151 LYS CD C 13 29.46392 0.2 . 1 . . . . 151 LYS CD . 25968 1 1616 . 1 1 151 151 LYS CE C 13 41.77195 0.2 . 1 . . . . 151 LYS CE . 25968 1 1617 . 1 1 151 151 LYS N N 15 120.9073 0.05 . 1 . . . . 151 LYS N . 25968 1 1618 . 1 1 152 152 ASP H H 1 7.71243 0.01 . 1 . . . . 152 ASP H . 25968 1 1619 . 1 1 152 152 ASP HA H 1 4.43376 0.05 . 1 . . . . 152 ASP HA . 25968 1 1620 . 1 1 152 152 ASP HB2 H 1 2.56938 0.05 . 1 . . . . 152 ASP HB2 . 25968 1 1621 . 1 1 152 152 ASP HB3 H 1 2.29585 0.05 . 1 . . . . 152 ASP HB3 . 25968 1 1622 . 1 1 152 152 ASP C C 13 175.56951 0.1 . 1 . . . . 152 ASP C . 25968 1 1623 . 1 1 152 152 ASP CA C 13 55.1804 0.15 . 1 . . . . 152 ASP CA . 25968 1 1624 . 1 1 152 152 ASP CB C 13 40.88305 0.15 . 1 . . . . 152 ASP CB . 25968 1 1625 . 1 1 152 152 ASP N N 15 117.00976 0.05 . 1 . . . . 152 ASP N . 25968 1 1626 . 1 1 153 153 HIS H H 1 7.31712 0.01 . 1 . . . . 153 HIS H . 25968 1 1627 . 1 1 153 153 HIS HA H 1 4.90044 0.05 . 1 . . . . 153 HIS HA . 25968 1 1628 . 1 1 153 153 HIS HB2 H 1 2.62302 0.05 . 2 . . . . 153 HIS HB2 . 25968 1 1629 . 1 1 153 153 HIS HB3 H 1 2.62302 0.05 . 2 . . . . 153 HIS HB3 . 25968 1 1630 . 1 1 153 153 HIS CA C 13 53.55609 0.15 . 1 . . . . 153 HIS CA . 25968 1 1631 . 1 1 153 153 HIS CB C 13 27.65105 0.15 . 1 . . . . 153 HIS CB . 25968 1 1632 . 1 1 153 153 HIS N N 15 116.22044 0.05 . 1 . . . . 153 HIS N . 25968 1 1633 . 1 1 154 154 PRO HA H 1 4.39484 0.05 . 1 . . . . 154 PRO HA . 25968 1 1634 . 1 1 154 154 PRO HB2 H 1 2.39132 0.05 . 2 . . . . 154 PRO HB2 . 25968 1 1635 . 1 1 154 154 PRO HB3 H 1 2.39132 0.05 . 2 . . . . 154 PRO HB3 . 25968 1 1636 . 1 1 154 154 PRO HG2 H 1 1.97314 0.05 . 2 . . . . 154 PRO HG2 . 25968 1 1637 . 1 1 154 154 PRO HG3 H 1 1.97314 0.05 . 2 . . . . 154 PRO HG3 . 25968 1 1638 . 1 1 154 154 PRO HD2 H 1 3.61703 0.05 . 1 . . . . 154 PRO HD2 . 25968 1 1639 . 1 1 154 154 PRO HD3 H 1 3.31331 0.05 . 1 . . . . 154 PRO HD3 . 25968 1 1640 . 1 1 154 154 PRO C C 13 175.98757 0.1 . 1 . . . . 154 PRO C . 25968 1 1641 . 1 1 154 154 PRO CA C 13 64.8213 0.15 . 1 . . . . 154 PRO CA . 25968 1 1642 . 1 1 154 154 PRO CB C 13 32.26136 0.15 . 1 . . . . 154 PRO CB . 25968 1 1643 . 1 1 154 154 PRO CG C 13 27.16761 0.2 . 1 . . . . 154 PRO CG . 25968 1 1644 . 1 1 154 154 PRO CD C 13 50.59923 0.2 . 1 . . . . 154 PRO CD . 25968 1 1645 . 1 1 155 155 ASP H H 1 8.6269 0.01 . 1 . . . . 155 ASP H . 25968 1 1646 . 1 1 155 155 ASP HA H 1 4.53206 0.05 . 1 . . . . 155 ASP HA . 25968 1 1647 . 1 1 155 155 ASP HB2 H 1 2.64484 0.05 . 2 . . . . 155 ASP HB2 . 25968 1 1648 . 1 1 155 155 ASP HB3 H 1 2.64484 0.05 . 2 . . . . 155 ASP HB3 . 25968 1 1649 . 1 1 155 155 ASP C C 13 176.27817 0.1 . 1 . . . . 155 ASP C . 25968 1 1650 . 1 1 155 155 ASP CA C 13 53.83864 0.15 . 1 . . . . 155 ASP CA . 25968 1 1651 . 1 1 155 155 ASP CB C 13 40.52811 0.15 . 1 . . . . 155 ASP CB . 25968 1 1652 . 1 1 155 155 ASP N N 15 114.15117 0.05 . 1 . . . . 155 ASP N . 25968 1 1653 . 1 1 156 156 ALA H H 1 7.75157 0.01 . 1 . . . . 156 ALA H . 25968 1 1654 . 1 1 156 156 ALA HA H 1 4.19876 0.05 . 1 . . . . 156 ALA HA . 25968 1 1655 . 1 1 156 156 ALA HB1 H 1 1.44358 0.01 . 1 . . . . 156 ALA MB . 25968 1 1656 . 1 1 156 156 ALA HB2 H 1 1.44358 0.01 . 1 . . . . 156 ALA MB . 25968 1 1657 . 1 1 156 156 ALA HB3 H 1 1.44358 0.01 . 1 . . . . 156 ALA MB . 25968 1 1658 . 1 1 156 156 ALA C C 13 177.719 0.1 . 1 . . . . 156 ALA C . 25968 1 1659 . 1 1 156 156 ALA CA C 13 52.58841 0.15 . 1 . . . . 156 ALA CA . 25968 1 1660 . 1 1 156 156 ALA CB C 13 19.84846 0.15 . 1 . . . . 156 ALA CB . 25968 1 1661 . 1 1 156 156 ALA N N 15 124.34554 0.05 . 1 . . . . 156 ALA N . 25968 1 1662 . 1 1 157 157 TYR H H 1 8.75265 0.01 . 1 . . . . 157 TYR H . 25968 1 1663 . 1 1 157 157 TYR HA H 1 4.08258 0.05 . 1 . . . . 157 TYR HA . 25968 1 1664 . 1 1 157 157 TYR HB2 H 1 3.37877 0.05 . 1 . . . . 157 TYR HB2 . 25968 1 1665 . 1 1 157 157 TYR HB3 H 1 3.06064 0.05 . 1 . . . . 157 TYR HB3 . 25968 1 1666 . 1 1 157 157 TYR C C 13 173.37771 0.1 . 1 . . . . 157 TYR C . 25968 1 1667 . 1 1 157 157 TYR CA C 13 60.19833 0.15 . 1 . . . . 157 TYR CA . 25968 1 1668 . 1 1 157 157 TYR CB C 13 35.12229 0.15 . 1 . . . . 157 TYR CB . 25968 1 1669 . 1 1 157 157 TYR N N 15 117.73008 0.05 . 1 . . . . 157 TYR N . 25968 1 1670 . 1 1 158 158 ASN H H 1 7.67431 0.01 . 1 . . . . 158 ASN H . 25968 1 1671 . 1 1 158 158 ASN HA H 1 4.66916 0.05 . 1 . . . . 158 ASN HA . 25968 1 1672 . 1 1 158 158 ASN HB2 H 1 2.78695 0.05 . 1 . . . . 158 ASN HB2 . 25968 1 1673 . 1 1 158 158 ASN HB3 H 1 2.53647 0.05 . 1 . . . . 158 ASN HB3 . 25968 1 1674 . 1 1 158 158 ASN HD21 H 1 7.20326 0.05 . 1 . . . . 158 ASN HD21 . 25968 1 1675 . 1 1 158 158 ASN HD22 H 1 6.8863 0.05 . 1 . . . . 158 ASN HD22 . 25968 1 1676 . 1 1 158 158 ASN CA C 13 54.42457 0.15 . 1 . . . . 158 ASN CA . 25968 1 1677 . 1 1 158 158 ASN CB C 13 40.77856 0.15 . 1 . . . . 158 ASN CB . 25968 1 1678 . 1 1 158 158 ASN CG C 13 177.9673 0.2 . 1 . . . . 158 ASN CG . 25968 1 1679 . 1 1 158 158 ASN N N 15 120.83813 0.05 . 1 . . . . 158 ASN N . 25968 1 1680 . 1 1 158 158 ASN ND2 N 15 112.16374 0.05 . 1 . . . . 158 ASN ND2 . 25968 1 stop_ save_