data_27667 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27667 _Entry.Title ; Backbone resonance assignment of the catalytic and ATP-binding domain of HK853 from Thermotoga maritime ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-30 _Entry.Accession_date 2018-10-30 _Entry.Last_release_date 2018-11-01 _Entry.Original_release_date 2018-11-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yuan Zhou . . . . 27667 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27667 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 27667 '15N chemical shifts' 138 27667 '1H chemical shifts' 490 27667 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 . . 2019-01-07 2018-10-30 update author 'update assignments' 27667 1 . . 2018-11-05 2018-10-30 original author 'original release' 27667 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27667 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Backbone resonance assignment of the catalytic and ATP-binding domain of HK853 from Thermotoga maritime ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Yuan Zhou . . . . 27667 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27667 _Assembly.ID 1 _Assembly.Name 'catalytic and ATP-binding domain of HK853' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'catalytic and ATP-binding domain of HK853' 1 $catalytic_and_ATP-binding_domain_of_HK853 A . yes native no no . . . 27667 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_catalytic_and_ATP-binding_domain_of_HK853 _Entity.Sf_category entity _Entity.Sf_framecode catalytic_and_ATP-binding_domain_of_HK853 _Entity.Entry_ID 27667 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name catalytic_and_ATP-binding_domain_of_HK853 _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 ; SLQINREKVDLCDLVESAVN AIKEFASSHNVNVLFESNVP CPVEAYIDPTRIRQVLLNLL NNGVKYSKKDAPDKYVKVIL DEKDGGVLIIVEDNGIGIPD HAKDRIFEQFYRVDSSLTYE VPGTGLGLAITKEIVELHGG RIWVESEVGKGSRFFVWIPK DRAGEDNRQDN ; _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 171 _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 . SER . 27667 1 2 . LEU . 27667 1 3 . GLN . 27667 1 4 . ILE . 27667 1 5 . ASN . 27667 1 6 . ARG . 27667 1 7 . GLU . 27667 1 8 . LYS . 27667 1 9 . VAL . 27667 1 10 . ASP . 27667 1 11 . LEU . 27667 1 12 . CYS . 27667 1 13 . ASP . 27667 1 14 . LEU . 27667 1 15 . VAL . 27667 1 16 . GLU . 27667 1 17 . SER . 27667 1 18 . ALA . 27667 1 19 . VAL . 27667 1 20 . ASN . 27667 1 21 . ALA . 27667 1 22 . ILE . 27667 1 23 . LYS . 27667 1 24 . GLU . 27667 1 25 . PHE . 27667 1 26 . ALA . 27667 1 27 . SER . 27667 1 28 . SER . 27667 1 29 . HIS . 27667 1 30 . ASN . 27667 1 31 . VAL . 27667 1 32 . ASN . 27667 1 33 . VAL . 27667 1 34 . LEU . 27667 1 35 . PHE . 27667 1 36 . GLU . 27667 1 37 . SER . 27667 1 38 . ASN . 27667 1 39 . VAL . 27667 1 40 . PRO . 27667 1 41 . CYS . 27667 1 42 . PRO . 27667 1 43 . VAL . 27667 1 44 . GLU . 27667 1 45 . ALA . 27667 1 46 . TYR . 27667 1 47 . ILE . 27667 1 48 . ASP . 27667 1 49 . PRO . 27667 1 50 . THR . 27667 1 51 . ARG . 27667 1 52 . ILE . 27667 1 53 . ARG . 27667 1 54 . GLN . 27667 1 55 . VAL . 27667 1 56 . LEU . 27667 1 57 . LEU . 27667 1 58 . ASN . 27667 1 59 . LEU . 27667 1 60 . LEU . 27667 1 61 . ASN . 27667 1 62 . ASN . 27667 1 63 . GLY . 27667 1 64 . VAL . 27667 1 65 . LYS . 27667 1 66 . TYR . 27667 1 67 . SER . 27667 1 68 . LYS . 27667 1 69 . LYS . 27667 1 70 . ASP . 27667 1 71 . ALA . 27667 1 72 . PRO . 27667 1 73 . ASP . 27667 1 74 . LYS . 27667 1 75 . TYR . 27667 1 76 . VAL . 27667 1 77 . LYS . 27667 1 78 . VAL . 27667 1 79 . ILE . 27667 1 80 . LEU . 27667 1 81 . ASP . 27667 1 82 . GLU . 27667 1 83 . LYS . 27667 1 84 . ASP . 27667 1 85 . GLY . 27667 1 86 . GLY . 27667 1 87 . VAL . 27667 1 88 . LEU . 27667 1 89 . ILE . 27667 1 90 . ILE . 27667 1 91 . VAL . 27667 1 92 . GLU . 27667 1 93 . ASP . 27667 1 94 . ASN . 27667 1 95 . GLY . 27667 1 96 . ILE . 27667 1 97 . GLY . 27667 1 98 . ILE . 27667 1 99 . PRO . 27667 1 100 . ASP . 27667 1 101 . HIS . 27667 1 102 . ALA . 27667 1 103 . LYS . 27667 1 104 . ASP . 27667 1 105 . ARG . 27667 1 106 . ILE . 27667 1 107 . PHE . 27667 1 108 . GLU . 27667 1 109 . GLN . 27667 1 110 . PHE . 27667 1 111 . TYR . 27667 1 112 . ARG . 27667 1 113 . VAL . 27667 1 114 . ASP . 27667 1 115 . SER . 27667 1 116 . SER . 27667 1 117 . LEU . 27667 1 118 . THR . 27667 1 119 . TYR . 27667 1 120 . GLU . 27667 1 121 . VAL . 27667 1 122 . PRO . 27667 1 123 . GLY . 27667 1 124 . THR . 27667 1 125 . GLY . 27667 1 126 . LEU . 27667 1 127 . GLY . 27667 1 128 . LEU . 27667 1 129 . ALA . 27667 1 130 . ILE . 27667 1 131 . THR . 27667 1 132 . LYS . 27667 1 133 . GLU . 27667 1 134 . ILE . 27667 1 135 . VAL . 27667 1 136 . GLU . 27667 1 137 . LEU . 27667 1 138 . HIS . 27667 1 139 . GLY . 27667 1 140 . GLY . 27667 1 141 . ARG . 27667 1 142 . ILE . 27667 1 143 . TRP . 27667 1 144 . VAL . 27667 1 145 . GLU . 27667 1 146 . SER . 27667 1 147 . GLU . 27667 1 148 . VAL . 27667 1 149 . GLY . 27667 1 150 . LYS . 27667 1 151 . GLY . 27667 1 152 . SER . 27667 1 153 . ARG . 27667 1 154 . PHE . 27667 1 155 . PHE . 27667 1 156 . VAL . 27667 1 157 . TRP . 27667 1 158 . ILE . 27667 1 159 . PRO . 27667 1 160 . LYS . 27667 1 161 . ASP . 27667 1 162 . ARG . 27667 1 163 . ALA . 27667 1 164 . GLY . 27667 1 165 . GLU . 27667 1 166 . ASP . 27667 1 167 . ASN . 27667 1 168 . ARG . 27667 1 169 . GLN . 27667 1 170 . ASP . 27667 1 171 . ASN . 27667 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 . SER 1 1 27667 1 . LEU 2 2 27667 1 . GLN 3 3 27667 1 . ILE 4 4 27667 1 . ASN 5 5 27667 1 . ARG 6 6 27667 1 . GLU 7 7 27667 1 . LYS 8 8 27667 1 . VAL 9 9 27667 1 . ASP 10 10 27667 1 . LEU 11 11 27667 1 . CYS 12 12 27667 1 . ASP 13 13 27667 1 . LEU 14 14 27667 1 . VAL 15 15 27667 1 . GLU 16 16 27667 1 . SER 17 17 27667 1 . ALA 18 18 27667 1 . VAL 19 19 27667 1 . ASN 20 20 27667 1 . ALA 21 21 27667 1 . ILE 22 22 27667 1 . LYS 23 23 27667 1 . GLU 24 24 27667 1 . PHE 25 25 27667 1 . ALA 26 26 27667 1 . SER 27 27 27667 1 . SER 28 28 27667 1 . HIS 29 29 27667 1 . ASN 30 30 27667 1 . VAL 31 31 27667 1 . ASN 32 32 27667 1 . VAL 33 33 27667 1 . LEU 34 34 27667 1 . PHE 35 35 27667 1 . GLU 36 36 27667 1 . SER 37 37 27667 1 . ASN 38 38 27667 1 . VAL 39 39 27667 1 . PRO 40 40 27667 1 . CYS 41 41 27667 1 . PRO 42 42 27667 1 . VAL 43 43 27667 1 . GLU 44 44 27667 1 . ALA 45 45 27667 1 . TYR 46 46 27667 1 . ILE 47 47 27667 1 . ASP 48 48 27667 1 . PRO 49 49 27667 1 . THR 50 50 27667 1 . ARG 51 51 27667 1 . ILE 52 52 27667 1 . ARG 53 53 27667 1 . GLN 54 54 27667 1 . VAL 55 55 27667 1 . LEU 56 56 27667 1 . LEU 57 57 27667 1 . ASN 58 58 27667 1 . LEU 59 59 27667 1 . LEU 60 60 27667 1 . ASN 61 61 27667 1 . ASN 62 62 27667 1 . GLY 63 63 27667 1 . VAL 64 64 27667 1 . LYS 65 65 27667 1 . TYR 66 66 27667 1 . SER 67 67 27667 1 . LYS 68 68 27667 1 . LYS 69 69 27667 1 . ASP 70 70 27667 1 . ALA 71 71 27667 1 . PRO 72 72 27667 1 . ASP 73 73 27667 1 . LYS 74 74 27667 1 . TYR 75 75 27667 1 . VAL 76 76 27667 1 . LYS 77 77 27667 1 . VAL 78 78 27667 1 . ILE 79 79 27667 1 . LEU 80 80 27667 1 . ASP 81 81 27667 1 . GLU 82 82 27667 1 . LYS 83 83 27667 1 . ASP 84 84 27667 1 . GLY 85 85 27667 1 . GLY 86 86 27667 1 . VAL 87 87 27667 1 . LEU 88 88 27667 1 . ILE 89 89 27667 1 . ILE 90 90 27667 1 . VAL 91 91 27667 1 . GLU 92 92 27667 1 . ASP 93 93 27667 1 . ASN 94 94 27667 1 . GLY 95 95 27667 1 . ILE 96 96 27667 1 . GLY 97 97 27667 1 . ILE 98 98 27667 1 . PRO 99 99 27667 1 . ASP 100 100 27667 1 . HIS 101 101 27667 1 . ALA 102 102 27667 1 . LYS 103 103 27667 1 . ASP 104 104 27667 1 . ARG 105 105 27667 1 . ILE 106 106 27667 1 . PHE 107 107 27667 1 . GLU 108 108 27667 1 . GLN 109 109 27667 1 . PHE 110 110 27667 1 . TYR 111 111 27667 1 . ARG 112 112 27667 1 . VAL 113 113 27667 1 . ASP 114 114 27667 1 . SER 115 115 27667 1 . SER 116 116 27667 1 . LEU 117 117 27667 1 . THR 118 118 27667 1 . TYR 119 119 27667 1 . GLU 120 120 27667 1 . VAL 121 121 27667 1 . PRO 122 122 27667 1 . GLY 123 123 27667 1 . THR 124 124 27667 1 . GLY 125 125 27667 1 . LEU 126 126 27667 1 . GLY 127 127 27667 1 . LEU 128 128 27667 1 . ALA 129 129 27667 1 . ILE 130 130 27667 1 . THR 131 131 27667 1 . LYS 132 132 27667 1 . GLU 133 133 27667 1 . ILE 134 134 27667 1 . VAL 135 135 27667 1 . GLU 136 136 27667 1 . LEU 137 137 27667 1 . HIS 138 138 27667 1 . GLY 139 139 27667 1 . GLY 140 140 27667 1 . ARG 141 141 27667 1 . ILE 142 142 27667 1 . TRP 143 143 27667 1 . VAL 144 144 27667 1 . GLU 145 145 27667 1 . SER 146 146 27667 1 . GLU 147 147 27667 1 . VAL 148 148 27667 1 . GLY 149 149 27667 1 . LYS 150 150 27667 1 . GLY 151 151 27667 1 . SER 152 152 27667 1 . ARG 153 153 27667 1 . PHE 154 154 27667 1 . PHE 155 155 27667 1 . VAL 156 156 27667 1 . TRP 157 157 27667 1 . ILE 158 158 27667 1 . PRO 159 159 27667 1 . LYS 160 160 27667 1 . ASP 161 161 27667 1 . ARG 162 162 27667 1 . ALA 163 163 27667 1 . GLY 164 164 27667 1 . GLU 165 165 27667 1 . ASP 166 166 27667 1 . ASN 167 167 27667 1 . ARG 168 168 27667 1 . GLN 169 169 27667 1 . ASP 170 170 27667 1 . ASN 171 171 27667 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 27667 _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 $catalytic_and_ATP-binding_domain_of_HK853 . 2336 organism . 'Thermotoga maritima' 'Thermotoga maritima' . . Bacteria . Thermotoga maritima . . . . . . . . . . . . . 27667 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 27667 _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 $catalytic_and_ATP-binding_domain_of_HK853 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet-28a . . . 27667 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27667 _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 'catalytic and ATP-binding domain of HK853' '[U-99% 13C; U-99% 15N]' . . 1 $catalytic_and_ATP-binding_domain_of_HK853 . . 0.5 . . mM . . . . 27667 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 27667 1 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 27667 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 27667 _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 'ionic strength' 0.14 . M 27667 1 pH 8.0 . pH 27667 1 pressure 1 . atm 27667 1 temperature 298 . K 27667 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27667 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27667 1 'Keller and Wuthrich' . . 27667 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27667 1 collection 27667 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 27667 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27667 _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 Bruker Avance . 700 . . . 27667 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 27667 _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 . . . . . . . . . . . . . . . . 27667 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27667 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27667 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27667 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27667 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27667 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 27667 _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 TMS 'methyl protons' . . . . ppm . internal indirect . . . . . . 27667 1 H 1 water protons . . . . ppm 4.68 internal direct 1 . . . . . 27667 1 N 15 TMS 'methyl protons' . . . . ppm . internal indirect . . . . . . 27667 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 27667 _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' . . . 27667 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU H H 1 8.169 0.000 . . . . . . . 2 L H . 27667 1 2 . 1 1 2 2 LEU HA H 1 4.651 0.000 . . . . . . . 2 L HA . 27667 1 3 . 1 1 2 2 LEU HB2 H 1 1.379 0.000 . . . . . . . 2 L HB2 . 27667 1 4 . 1 1 2 2 LEU HB3 H 1 1.472 0.000 . . . . . . . 2 L HB3 . 27667 1 5 . 1 1 2 2 LEU CA C 13 52.551 0.000 . . . . . . . 2 L CA . 27667 1 6 . 1 1 2 2 LEU CB C 13 40.006 0.000 . . . . . . . 2 L CB . 27667 1 7 . 1 1 2 2 LEU CG C 13 28.420 0.000 . . . . . . . 2 L CG . 27667 1 8 . 1 1 2 2 LEU CD1 C 13 24.002 0.000 . . . . . . . 2 L CD1 . 27667 1 9 . 1 1 2 2 LEU CD2 C 13 21.832 0.000 . . . . . . . 2 L CD2 . 27667 1 10 . 1 1 2 2 LEU N N 15 124.073 0.000 . . . . . . . 2 L N . 27667 1 11 . 1 1 3 3 GLN H H 1 8.114 0.000 . . . . . . . 3 Q H . 27667 1 12 . 1 1 3 3 GLN HA H 1 4.168 0.000 . . . . . . . 3 Q HA . 27667 1 13 . 1 1 3 3 GLN HB2 H 1 2.076 0.000 . . . . . . . 3 Q HB2 . 27667 1 14 . 1 1 3 3 GLN HB3 H 1 1.808 0.000 . . . . . . . 3 Q HB3 . 27667 1 15 . 1 1 3 3 GLN CA C 13 52.104 0.000 . . . . . . . 3 Q CA . 27667 1 16 . 1 1 3 3 GLN CB C 13 27.877 0.000 . . . . . . . 3 Q CB . 27667 1 17 . 1 1 3 3 GLN CG C 13 30.745 0.000 . . . . . . . 3 Q CG . 27667 1 18 . 1 1 3 3 GLN N N 15 121.925 0.000 . . . . . . . 3 Q N . 27667 1 19 . 1 1 4 4 ILE H H 1 8.273 0.000 . . . . . . . 4 I H . 27667 1 20 . 1 1 4 4 ILE HA H 1 4.356 0.000 . . . . . . . 4 I HA . 27667 1 21 . 1 1 4 4 ILE HB H 1 1.794 0.000 . . . . . . . 4 I HB . 27667 1 22 . 1 1 4 4 ILE CA C 13 56.224 0.000 . . . . . . . 4 I CA . 27667 1 23 . 1 1 4 4 ILE CB C 13 37.265 0.000 . . . . . . . 4 I CB . 27667 1 24 . 1 1 4 4 ILE N N 15 117.911 0.000 . . . . . . . 4 I N . 27667 1 25 . 1 1 5 5 ASN H H 1 9.969 0.000 . . . . . . . 5 N H . 27667 1 26 . 1 1 5 5 ASN HA H 1 4.490 0.000 . . . . . . . 5 N HA . 27667 1 27 . 1 1 5 5 ASN CA C 13 49.656 0.000 . . . . . . . 5 N CA . 27667 1 28 . 1 1 5 5 ASN CB C 13 37.242 0.000 . . . . . . . 5 N CB . 27667 1 29 . 1 1 5 5 ASN N N 15 125.543 0.000 . . . . . . . 5 N N . 27667 1 30 . 1 1 6 6 ARG H H 1 8.342 0.000 . . . . . . . 6 R H . 27667 1 31 . 1 1 6 6 ARG HA H 1 4.691 0.000 . . . . . . . 6 R HA . 27667 1 32 . 1 1 6 6 ARG CA C 13 53.866 0.000 . . . . . . . 6 R CA . 27667 1 33 . 1 1 6 6 ARG CB C 13 28.294 0.000 . . . . . . . 6 R CB . 27667 1 34 . 1 1 6 6 ARG CG C 13 25.862 0.000 . . . . . . . 6 R CG . 27667 1 35 . 1 1 6 6 ARG CD C 13 40.976 0.000 . . . . . . . 6 R CD . 27667 1 36 . 1 1 6 6 ARG N N 15 122.153 0.000 . . . . . . . 6 R N . 27667 1 37 . 1 1 7 7 GLU H H 1 8.572 0.000 . . . . . . . 7 E H . 27667 1 38 . 1 1 7 7 GLU HA H 1 4.423 0.000 . . . . . . . 7 E HA . 27667 1 39 . 1 1 7 7 GLU HB2 H 1 2.022 0.000 . . . . . . . 7 E HB2 . 27667 1 40 . 1 1 7 7 GLU HB3 H 1 1.915 0.000 . . . . . . . 7 E HB3 . 27667 1 41 . 1 1 7 7 GLU CA C 13 51.985 0.000 . . . . . . . 7 E CA . 27667 1 42 . 1 1 7 7 GLU CB C 13 30.958 0.000 . . . . . . . 7 E CB . 27667 1 43 . 1 1 7 7 GLU CG C 13 32.838 0.000 . . . . . . . 7 E CG . 27667 1 44 . 1 1 7 7 GLU N N 15 119.375 0.000 . . . . . . . 7 E N . 27667 1 45 . 1 1 8 8 LYS H H 1 8.643 0.000 . . . . . . . 8 K H . 27667 1 46 . 1 1 8 8 LYS HA H 1 4.436 0.000 . . . . . . . 8 K HA . 27667 1 47 . 1 1 8 8 LYS HB2 H 1 1.808 0.000 . . . . . . . 8 K HB2 . 27667 1 48 . 1 1 8 8 LYS HB3 H 1 1.696 0.000 . . . . . . . 8 K HB3 . 27667 1 49 . 1 1 8 8 LYS CA C 13 54.821 0.000 . . . . . . . 8 K CA . 27667 1 50 . 1 1 8 8 LYS CB C 13 28.797 0.000 . . . . . . . 8 K CB . 27667 1 51 . 1 1 8 8 LYS CG C 13 22.297 0.000 . . . . . . . 8 K CG . 27667 1 52 . 1 1 8 8 LYS CD C 13 26.095 0.000 . . . . . . . 8 K CD . 27667 1 53 . 1 1 8 8 LYS N N 15 121.499 0.000 . . . . . . . 8 K N . 27667 1 54 . 1 1 9 9 VAL H H 1 8.856 0.000 . . . . . . . 9 V H . 27667 1 55 . 1 1 9 9 VAL HA H 1 4.302 0.000 . . . . . . . 9 V HA . 27667 1 56 . 1 1 9 9 VAL HB H 1 1.888 0.000 . . . . . . . 9 V HB . 27667 1 57 . 1 1 9 9 VAL HG11 H 1 1.057 0.000 . . . . . . . 9 V HG1 . 27667 1 58 . 1 1 9 9 VAL HG12 H 1 1.057 0.000 . . . . . . . 9 V HG1 . 27667 1 59 . 1 1 9 9 VAL HG13 H 1 1.057 0.000 . . . . . . . 9 V HG1 . 27667 1 60 . 1 1 9 9 VAL HG21 H 1 0.997 0.000 . . . . . . . 9 V HG2 . 27667 1 61 . 1 1 9 9 VAL HG22 H 1 0.997 0.000 . . . . . . . 9 V HG2 . 27667 1 62 . 1 1 9 9 VAL HG23 H 1 0.997 0.000 . . . . . . . 9 V HG2 . 27667 1 63 . 1 1 9 9 VAL CA C 13 57.448 0.000 . . . . . . . 9 V CA . 27667 1 64 . 1 1 9 9 VAL CB C 13 33.780 0.000 . . . . . . . 9 V CB . 27667 1 65 . 1 1 9 9 VAL N N 15 126.178 0.000 . . . . . . . 9 V N . 27667 1 66 . 1 1 10 10 ASP H H 1 8.344 0.000 . . . . . . . 10 D H . 27667 1 67 . 1 1 10 10 ASP HA H 1 4.463 0.000 . . . . . . . 10 D HA . 27667 1 68 . 1 1 10 10 ASP HB2 H 1 2.718 0.000 . . . . . . . 10 D HB2 . 27667 1 69 . 1 1 10 10 ASP HB3 H 1 2.621 0.000 . . . . . . . 10 D HB3 . 27667 1 70 . 1 1 10 10 ASP CA C 13 49.776 0.000 . . . . . . . 10 D CA . 27667 1 71 . 1 1 10 10 ASP CB C 13 38.846 0.000 . . . . . . . 10 D CB . 27667 1 72 . 1 1 10 10 ASP N N 15 120.040 0.000 . . . . . . . 10 D N . 27667 1 73 . 1 1 11 11 LEU H H 1 9.746 0.000 . . . . . . . 11 L H . 27667 1 74 . 1 1 11 11 LEU HA H 1 4.691 0.000 . . . . . . . 11 L HA . 27667 1 75 . 1 1 11 11 LEU HB2 H 1 1.808 0.000 . . . . . . . 11 L HB2 . 27667 1 76 . 1 1 11 11 LEU HB3 H 1 1.714 0.000 . . . . . . . 11 L HB3 . 27667 1 77 . 1 1 11 11 LEU CA C 13 54.134 0.000 . . . . . . . 11 L CA . 27667 1 78 . 1 1 11 11 LEU CB C 13 39.672 0.000 . . . . . . . 11 L CB . 27667 1 79 . 1 1 11 11 LEU CG C 13 25.397 0.000 . . . . . . . 11 L CG . 27667 1 80 . 1 1 11 11 LEU CD1 C 13 23.460 0.000 . . . . . . . 11 L CD1 . 27667 1 81 . 1 1 11 11 LEU CD2 C 13 21.832 0.000 . . . . . . . 11 L CD2 . 27667 1 82 . 1 1 11 11 LEU N N 15 129.275 0.000 . . . . . . . 11 L N . 27667 1 83 . 1 1 12 12 CYS H H 1 9.021 0.000 . . . . . . . 12 C H . 27667 1 84 . 1 1 12 12 CYS HA H 1 4.477 0.000 . . . . . . . 12 C HA . 27667 1 85 . 1 1 12 12 CYS HB2 H 1 3.055 0.000 . . . . . . . 12 C HB2 . 27667 1 86 . 1 1 12 12 CYS HB3 H 1 2.612 0.000 . . . . . . . 12 C HB3 . 27667 1 87 . 1 1 12 12 CYS CA C 13 58.971 0.000 . . . . . . . 12 C CA . 27667 1 88 . 1 1 12 12 CYS CB C 13 40.419 0.000 . . . . . . . 12 C CB . 27667 1 89 . 1 1 12 12 CYS N N 15 117.831 0.000 . . . . . . . 12 C N . 27667 1 90 . 1 1 13 13 ASP H H 1 6.745 0.000 . . . . . . . 13 D H . 27667 1 91 . 1 1 13 13 ASP HA H 1 4.463 0.000 . . . . . . . 13 D HA . 27667 1 92 . 1 1 13 13 ASP HB2 H 1 2.621 0.000 . . . . . . . 13 D HB2 . 27667 1 93 . 1 1 13 13 ASP HB3 H 1 2.572 0.000 . . . . . . . 13 D HB3 . 27667 1 94 . 1 1 13 13 ASP CA C 13 54.254 0.000 . . . . . . . 13 D CA . 27667 1 95 . 1 1 13 13 ASP CB C 13 39.105 0.000 . . . . . . . 13 D CB . 27667 1 96 . 1 1 13 13 ASP N N 15 118.813 0.000 . . . . . . . 13 D N . 27667 1 97 . 1 1 14 14 LEU H H 1 7.416 0.000 . . . . . . . 14 L H . 27667 1 98 . 1 1 14 14 LEU HB2 H 1 1.499 0.000 . . . . . . . 14 L HB2 . 27667 1 99 . 1 1 14 14 LEU HB3 H 1 1.405 0.000 . . . . . . . 14 L HB3 . 27667 1 100 . 1 1 14 14 LEU CA C 13 56.075 0.000 . . . . . . . 14 L CA . 27667 1 101 . 1 1 14 14 LEU CB C 13 40.336 0.000 . . . . . . . 14 L CB . 27667 1 102 . 1 1 14 14 LEU CG C 13 27.645 0.000 . . . . . . . 14 L CG . 27667 1 103 . 1 1 14 14 LEU CD1 C 13 24.312 0.000 . . . . . . . 14 L CD1 . 27667 1 104 . 1 1 14 14 LEU CD2 C 13 22.917 0.000 . . . . . . . 14 L CD2 . 27667 1 105 . 1 1 14 14 LEU N N 15 119.966 0.000 . . . . . . . 14 L N . 27667 1 106 . 1 1 15 15 VAL H H 1 8.386 0.000 . . . . . . . 15 V H . 27667 1 107 . 1 1 15 15 VAL CA C 13 64.284 0.000 . . . . . . . 15 V CA . 27667 1 108 . 1 1 15 15 VAL CB C 13 27.971 0.000 . . . . . . . 15 V CB . 27667 1 109 . 1 1 15 15 VAL CG1 C 13 21.677 0.000 . . . . . . . 15 V CG1 . 27667 1 110 . 1 1 15 15 VAL CG2 C 13 19.972 0.000 . . . . . . . 15 V CG2 . 27667 1 111 . 1 1 15 15 VAL N N 15 119.163 0.000 . . . . . . . 15 V N . 27667 1 112 . 1 1 16 16 GLU H H 1 7.731 0.000 . . . . . . . 16 E H . 27667 1 113 . 1 1 16 16 GLU HA H 1 4.048 0.000 . . . . . . . 16 E HA . 27667 1 114 . 1 1 16 16 GLU HB2 H 1 2.015 0.000 . . . . . . . 16 E HB2 . 27667 1 115 . 1 1 16 16 GLU HB3 H 1 1.888 0.000 . . . . . . . 16 E HB3 . 27667 1 116 . 1 1 16 16 GLU CB C 13 26.477 0.000 . . . . . . . 16 E CB . 27667 1 117 . 1 1 16 16 GLU CG C 13 33.536 0.000 . . . . . . . 16 E CG . 27667 1 118 . 1 1 16 16 GLU N N 15 119.134 0.000 . . . . . . . 16 E N . 27667 1 119 . 1 1 17 17 SER H H 1 8.021 0.000 . . . . . . . 17 S H . 27667 1 120 . 1 1 17 17 SER HB2 H 1 4.007 0.000 . . . . . . . 17 S HB2 . 27667 1 121 . 1 1 17 17 SER HB3 H 1 3.873 0.000 . . . . . . . 17 S HB3 . 27667 1 122 . 1 1 17 17 SER CA C 13 58.582 0.000 . . . . . . . 17 S CA . 27667 1 123 . 1 1 17 17 SER CB C 13 60.045 0.000 . . . . . . . 17 S CB . 27667 1 124 . 1 1 17 17 SER N N 15 112.933 0.000 . . . . . . . 17 S N . 27667 1 125 . 1 1 18 18 ALA H H 1 7.781 0.000 . . . . . . . 18 A H . 27667 1 126 . 1 1 18 18 ALA HA H 1 3.913 0.000 . . . . . . . 18 A HA . 27667 1 127 . 1 1 18 18 ALA HB1 H 1 1.191 0.000 . . . . . . . 18 A HB . 27667 1 128 . 1 1 18 18 ALA HB2 H 1 1.191 0.000 . . . . . . . 18 A HB . 27667 1 129 . 1 1 18 18 ALA HB3 H 1 1.191 0.000 . . . . . . . 18 A HB . 27667 1 130 . 1 1 18 18 ALA CA C 13 52.492 0.000 . . . . . . . 18 A CA . 27667 1 131 . 1 1 18 18 ALA CB C 13 15.439 0.000 . . . . . . . 18 A CB . 27667 1 132 . 1 1 18 18 ALA N N 15 126.441 0.000 . . . . . . . 18 A N . 27667 1 133 . 1 1 19 19 VAL H H 1 8.297 0.000 . . . . . . . 19 V H . 27667 1 134 . 1 1 19 19 VAL HA H 1 4.664 0.000 . . . . . . . 19 V HA . 27667 1 135 . 1 1 19 19 VAL HB H 1 2.009 0.000 . . . . . . . 19 V HB . 27667 1 136 . 1 1 19 19 VAL HG11 H 1 1.200 0.000 . . . . . . . 19 V HG1 . 27667 1 137 . 1 1 19 19 VAL HG12 H 1 1.200 0.000 . . . . . . . 19 V HG1 . 27667 1 138 . 1 1 19 19 VAL HG13 H 1 1.200 0.000 . . . . . . . 19 V HG1 . 27667 1 139 . 1 1 19 19 VAL HG21 H 1 1.148 0.000 . . . . . . . 19 V HG2 . 27667 1 140 . 1 1 19 19 VAL HG22 H 1 1.148 0.000 . . . . . . . 19 V HG2 . 27667 1 141 . 1 1 19 19 VAL HG23 H 1 1.148 0.000 . . . . . . . 19 V HG2 . 27667 1 142 . 1 1 19 19 VAL CA C 13 63.896 0.000 . . . . . . . 19 V CA . 27667 1 143 . 1 1 19 19 VAL CB C 13 28.385 0.000 . . . . . . . 19 V CB . 27667 1 144 . 1 1 19 19 VAL CG1 C 13 19.972 0.000 . . . . . . . 19 V CG1 . 27667 1 145 . 1 1 19 19 VAL CG2 C 13 18.189 0.000 . . . . . . . 19 V CG2 . 27667 1 146 . 1 1 19 19 VAL N N 15 116.828 0.000 . . . . . . . 19 V N . 27667 1 147 . 1 1 20 20 ASN H H 1 8.247 0.000 . . . . . . . 20 N H . 27667 1 148 . 1 1 20 20 ASN HA H 1 4.302 0.000 . . . . . . . 20 N HA . 27667 1 149 . 1 1 20 20 ASN HB2 H 1 2.800 0.000 . . . . . . . 20 N HB2 . 27667 1 150 . 1 1 20 20 ASN HB3 H 1 2.639 0.000 . . . . . . . 20 N HB3 . 27667 1 151 . 1 1 20 20 ASN CA C 13 53.209 0.000 . . . . . . . 20 N CA . 27667 1 152 . 1 1 20 20 ASN CB C 13 35.274 0.000 . . . . . . . 20 N CB . 27667 1 153 . 1 1 20 20 ASN N N 15 116.039 0.000 . . . . . . . 20 N N . 27667 1 154 . 1 1 21 21 ALA H H 1 7.733 0.000 . . . . . . . 21 A H . 27667 1 155 . 1 1 21 21 ALA HA H 1 4.168 0.000 . . . . . . . 21 A HA . 27667 1 156 . 1 1 21 21 ALA HB1 H 1 1.511 0.000 . . . . . . . 21 A HB . 27667 1 157 . 1 1 21 21 ALA HB2 H 1 1.511 0.000 . . . . . . . 21 A HB . 27667 1 158 . 1 1 21 21 ALA HB3 H 1 1.511 0.000 . . . . . . . 21 A HB . 27667 1 159 . 1 1 21 21 ALA CA C 13 51.597 0.000 . . . . . . . 21 A CA . 27667 1 160 . 1 1 21 21 ALA CB C 13 15.156 0.000 . . . . . . . 21 A CB . 27667 1 161 . 1 1 21 21 ALA N N 15 121.558 0.000 . . . . . . . 21 A N . 27667 1 162 . 1 1 22 22 ILE H H 1 7.428 0.000 . . . . . . . 22 I H . 27667 1 163 . 1 1 22 22 ILE HA H 1 4.651 0.000 . . . . . . . 22 I HA . 27667 1 164 . 1 1 22 22 ILE HB H 1 1.754 0.000 . . . . . . . 22 I HB . 27667 1 165 . 1 1 22 22 ILE CA C 13 56.523 0.000 . . . . . . . 22 I CA . 27667 1 166 . 1 1 22 22 ILE CB C 13 38.178 0.000 . . . . . . . 22 I CB . 27667 1 167 . 1 1 22 22 ILE CG1 C 13 27.645 0.000 . . . . . . . 22 I CG1 . 27667 1 168 . 1 1 22 22 ILE CG2 C 13 15.709 0.000 . . . . . . . 22 I CG2 . 27667 1 169 . 1 1 22 22 ILE N N 15 114.741 0.000 . . . . . . . 22 I N . 27667 1 170 . 1 1 23 23 LYS H H 1 7.466 0.000 . . . . . . . 23 K H . 27667 1 171 . 1 1 23 23 LYS HB2 H 1 1.969 0.000 . . . . . . . 23 K HB2 . 27667 1 172 . 1 1 23 23 LYS HB3 H 1 1.875 0.000 . . . . . . . 23 K HB3 . 27667 1 173 . 1 1 23 23 LYS HG2 H 1 1.580 0.000 . . . . . . . 23 K HG2 . 27667 1 174 . 1 1 23 23 LYS HG3 H 1 1.563 0.000 . . . . . . . 23 K HG3 . 27667 1 175 . 1 1 23 23 LYS CA C 13 58.314 0.000 . . . . . . . 23 K CA . 27667 1 176 . 1 1 23 23 LYS CB C 13 29.962 0.000 . . . . . . . 23 K CB . 27667 1 177 . 1 1 23 23 LYS CG C 13 22.220 0.000 . . . . . . . 23 K CG . 27667 1 178 . 1 1 23 23 LYS CD C 13 26.482 0.000 . . . . . . . 23 K CD . 27667 1 179 . 1 1 23 23 LYS N N 15 123.301 0.000 . . . . . . . 23 K N . 27667 1 180 . 1 1 24 24 GLU H H 1 8.857 0.000 . . . . . . . 24 E H . 27667 1 181 . 1 1 24 24 GLU HA H 1 4.034 0.000 . . . . . . . 24 E HA . 27667 1 182 . 1 1 24 24 GLU HB2 H 1 2.022 0.000 . . . . . . . 24 E HB2 . 27667 1 183 . 1 1 24 24 GLU HB3 H 1 1.902 0.000 . . . . . . . 24 E HB3 . 27667 1 184 . 1 1 24 24 GLU CA C 13 57.538 0.000 . . . . . . . 24 E CA . 27667 1 185 . 1 1 24 24 GLU CB C 13 26.145 0.000 . . . . . . . 24 E CB . 27667 1 186 . 1 1 24 24 GLU CG C 13 33.691 0.000 . . . . . . . 24 E CG . 27667 1 187 . 1 1 24 24 GLU N N 15 120.389 0.000 . . . . . . . 24 E N . 27667 1 188 . 1 1 25 25 PHE H H 1 8.532 0.000 . . . . . . . 25 F H . 27667 1 189 . 1 1 25 25 PHE HA H 1 4.678 0.000 . . . . . . . 25 F HA . 27667 1 190 . 1 1 25 25 PHE HB2 H 1 3.323 0.000 . . . . . . . 25 F HB2 . 27667 1 191 . 1 1 25 25 PHE HB3 H 1 2.867 0.000 . . . . . . . 25 F HB3 . 27667 1 192 . 1 1 25 25 PHE CA C 13 57.478 0.000 . . . . . . . 25 F CA . 27667 1 193 . 1 1 25 25 PHE CB C 13 36.549 0.000 . . . . . . . 25 F CB . 27667 1 194 . 1 1 25 25 PHE N N 15 123.206 0.000 . . . . . . . 25 F N . 27667 1 195 . 1 1 26 26 ALA H H 1 9.032 0.000 . . . . . . . 26 A H . 27667 1 196 . 1 1 26 26 ALA HA H 1 4.406 0.000 . . . . . . . 26 A HA . 27667 1 197 . 1 1 26 26 ALA HB1 H 1 1.311 0.000 . . . . . . . 26 A HB . 27667 1 198 . 1 1 26 26 ALA HB2 H 1 1.311 0.000 . . . . . . . 26 A HB . 27667 1 199 . 1 1 26 26 ALA HB3 H 1 1.311 0.000 . . . . . . . 26 A HB . 27667 1 200 . 1 1 26 26 ALA CA C 13 53.209 0.000 . . . . . . . 26 A CA . 27667 1 201 . 1 1 26 26 ALA CB C 13 15.605 0.000 . . . . . . . 26 A CB . 27667 1 202 . 1 1 26 26 ALA N N 15 122.321 0.000 . . . . . . . 26 A N . 27667 1 203 . 1 1 27 27 SER H H 1 8.922 0.000 . . . . . . . 27 S H . 27667 1 204 . 1 1 27 27 SER HA H 1 4.651 0.000 . . . . . . . 27 S HA . 27667 1 205 . 1 1 27 27 SER HB2 H 1 4.074 0.000 . . . . . . . 27 S HB2 . 27667 1 206 . 1 1 27 27 SER HB3 H 1 3.954 0.000 . . . . . . . 27 S HB3 . 27667 1 207 . 1 1 27 27 SER CA C 13 59.329 0.000 . . . . . . . 27 S CA . 27667 1 208 . 1 1 27 27 SER N N 15 115.404 0.000 . . . . . . . 27 S N . 27667 1 209 . 1 1 28 28 SER H H 1 7.927 0.000 . . . . . . . 28 S H . 27667 1 210 . 1 1 28 28 SER HA H 1 4.653 0.000 . . . . . . . 28 S HA . 27667 1 211 . 1 1 28 28 SER HB2 H 1 3.873 0.000 . . . . . . . 28 S HB2 . 27667 1 212 . 1 1 28 28 SER HB3 H 1 3.779 0.000 . . . . . . . 28 S HB3 . 27667 1 213 . 1 1 28 28 SER CA C 13 58.642 0.000 . . . . . . . 28 S CA . 27667 1 214 . 1 1 28 28 SER CB C 13 59.756 0.000 . . . . . . . 28 S CB . 27667 1 215 . 1 1 28 28 SER N N 15 120.016 0.000 . . . . . . . 28 S N . 27667 1 216 . 1 1 29 29 HIS H H 1 7.228 0.000 . . . . . . . 29 H H . 27667 1 217 . 1 1 29 29 HIS HA H 1 4.329 0.000 . . . . . . . 29 H HA . 27667 1 218 . 1 1 29 29 HIS HB2 H 1 3.260 0.000 . . . . . . . 29 H HB2 . 27667 1 219 . 1 1 29 29 HIS HB3 H 1 3.207 0.000 . . . . . . . 29 H HB3 . 27667 1 220 . 1 1 29 29 HIS CA C 13 53.597 0.000 . . . . . . . 29 H CA . 27667 1 221 . 1 1 29 29 HIS CB C 13 28.137 0.000 . . . . . . . 29 H CB . 27667 1 222 . 1 1 29 29 HIS N N 15 119.665 0.000 . . . . . . . 29 H N . 27667 1 223 . 1 1 30 30 ASN H H 1 8.046 0.000 . . . . . . . 30 N H . 27667 1 224 . 1 1 30 30 ASN HA H 1 4.235 0.000 . . . . . . . 30 N HA . 27667 1 225 . 1 1 30 30 ASN HB2 H 1 3.020 0.000 . . . . . . . 30 N HB2 . 27667 1 226 . 1 1 30 30 ASN HB3 H 1 2.727 0.000 . . . . . . . 30 N HB3 . 27667 1 227 . 1 1 30 30 ASN HD21 H 1 7.226 0.000 . . . . . . . 30 N HD2 . 27667 1 228 . 1 1 30 30 ASN HD22 H 1 7.226 0.000 . . . . . . . 30 N HD2 . 27667 1 229 . 1 1 30 30 ASN CA C 13 51.776 0.000 . . . . . . . 30 N CA . 27667 1 230 . 1 1 30 30 ASN CB C 13 34.361 0.000 . . . . . . . 30 N CB . 27667 1 231 . 1 1 30 30 ASN N N 15 115.741 0.000 . . . . . . . 30 N N . 27667 1 232 . 1 1 31 31 VAL H H 1 7.875 0.000 . . . . . . . 31 V H . 27667 1 233 . 1 1 31 31 VAL HA H 1 4.208 0.000 . . . . . . . 31 V HA . 27667 1 234 . 1 1 31 31 VAL HB H 1 1.633 0.000 . . . . . . . 31 V HB . 27667 1 235 . 1 1 31 31 VAL HG11 H 1 0.829 0.000 . . . . . . . 31 V HG1 . 27667 1 236 . 1 1 31 31 VAL HG12 H 1 0.829 0.000 . . . . . . . 31 V HG1 . 27667 1 237 . 1 1 31 31 VAL HG13 H 1 0.829 0.000 . . . . . . . 31 V HG1 . 27667 1 238 . 1 1 31 31 VAL HG21 H 1 0.708 0.000 . . . . . . . 31 V HG2 . 27667 1 239 . 1 1 31 31 VAL HG22 H 1 0.708 0.000 . . . . . . . 31 V HG2 . 27667 1 240 . 1 1 31 31 VAL HG23 H 1 0.708 0.000 . . . . . . . 31 V HG2 . 27667 1 241 . 1 1 31 31 VAL CA C 13 58.612 0.000 . . . . . . . 31 V CA . 27667 1 242 . 1 1 31 31 VAL CB C 13 30.340 0.000 . . . . . . . 31 V CB . 27667 1 243 . 1 1 31 31 VAL N N 15 117.414 0.000 . . . . . . . 31 V N . 27667 1 244 . 1 1 32 32 ASN H H 1 8.342 0.000 . . . . . . . 32 N H . 27667 1 245 . 1 1 32 32 ASN HA H 1 4.638 0.000 . . . . . . . 32 N HA . 27667 1 246 . 1 1 32 32 ASN HB2 H 1 2.723 0.000 . . . . . . . 32 N HB2 . 27667 1 247 . 1 1 32 32 ASN HB3 H 1 2.617 0.000 . . . . . . . 32 N HB3 . 27667 1 248 . 1 1 32 32 ASN CA C 13 50.134 0.000 . . . . . . . 32 N CA . 27667 1 249 . 1 1 32 32 ASN CB C 13 37.099 0.000 . . . . . . . 32 N CB . 27667 1 250 . 1 1 32 32 ASN N N 15 126.733 0.000 . . . . . . . 32 N N . 27667 1 251 . 1 1 33 33 VAL H H 1 8.098 0.000 . . . . . . . 33 V H . 27667 1 252 . 1 1 33 33 VAL HA H 1 4.168 0.000 . . . . . . . 33 V HA . 27667 1 253 . 1 1 33 33 VAL HB H 1 1.781 0.000 . . . . . . . 33 V HB . 27667 1 254 . 1 1 33 33 VAL HG11 H 1 0.791 0.000 . . . . . . . 33 V HG1 . 27667 1 255 . 1 1 33 33 VAL HG12 H 1 0.791 0.000 . . . . . . . 33 V HG1 . 27667 1 256 . 1 1 33 33 VAL HG13 H 1 0.791 0.000 . . . . . . . 33 V HG1 . 27667 1 257 . 1 1 33 33 VAL HG21 H 1 0.693 0.000 . . . . . . . 33 V HG2 . 27667 1 258 . 1 1 33 33 VAL HG22 H 1 0.693 0.000 . . . . . . . 33 V HG2 . 27667 1 259 . 1 1 33 33 VAL HG23 H 1 0.693 0.000 . . . . . . . 33 V HG2 . 27667 1 260 . 1 1 33 33 VAL CA C 13 57.717 0.000 . . . . . . . 33 V CA . 27667 1 261 . 1 1 33 33 VAL CB C 13 29.796 0.000 . . . . . . . 33 V CB . 27667 1 262 . 1 1 33 33 VAL CG1 C 13 20.049 0.000 . . . . . . . 33 V CG1 . 27667 1 263 . 1 1 33 33 VAL CG2 C 13 18.034 0.000 . . . . . . . 33 V CG2 . 27667 1 264 . 1 1 33 33 VAL N N 15 121.832 0.000 . . . . . . . 33 V N . 27667 1 265 . 1 1 34 34 LEU H H 1 8.588 0.000 . . . . . . . 34 L H . 27667 1 266 . 1 1 34 34 LEU HA H 1 4.329 0.000 . . . . . . . 34 L HA . 27667 1 267 . 1 1 34 34 LEU HB2 H 1 1.606 0.000 . . . . . . . 34 L HB2 . 27667 1 268 . 1 1 34 34 LEU HB3 H 1 1.502 0.000 . . . . . . . 34 L HB3 . 27667 1 269 . 1 1 34 34 LEU CA C 13 51.358 0.000 . . . . . . . 34 L CA . 27667 1 270 . 1 1 34 34 LEU CB C 13 43.324 0.000 . . . . . . . 34 L CB . 27667 1 271 . 1 1 34 34 LEU CG C 13 24.390 0.000 . . . . . . . 34 L CG . 27667 1 272 . 1 1 34 34 LEU CD1 C 13 23.072 0.000 . . . . . . . 34 L CD1 . 27667 1 273 . 1 1 34 34 LEU CD2 C 13 21.212 0.000 . . . . . . . 34 L CD2 . 27667 1 274 . 1 1 34 34 LEU N N 15 126.338 0.000 . . . . . . . 34 L N . 27667 1 275 . 1 1 35 35 PHE H H 1 8.499 0.000 . . . . . . . 35 F H . 27667 1 276 . 1 1 35 35 PHE HA H 1 4.718 0.000 . . . . . . . 35 F HA . 27667 1 277 . 1 1 35 35 PHE HB2 H 1 2.825 0.000 . . . . . . . 35 F HB2 . 27667 1 278 . 1 1 35 35 PHE HB3 H 1 2.721 0.000 . . . . . . . 35 F HB3 . 27667 1 279 . 1 1 35 35 PHE CA C 13 51.477 0.000 . . . . . . . 35 F CA . 27667 1 280 . 1 1 35 35 PHE CB C 13 38.676 0.000 . . . . . . . 35 F CB . 27667 1 281 . 1 1 35 35 PHE N N 15 120.673 0.000 . . . . . . . 35 F N . 27667 1 282 . 1 1 36 36 GLU H H 1 9.017 0.000 . . . . . . . 36 E H . 27667 1 283 . 1 1 36 36 GLU HA H 1 4.021 0.000 . . . . . . . 36 E HA . 27667 1 284 . 1 1 36 36 GLU CA C 13 51.657 0.000 . . . . . . . 36 E CA . 27667 1 285 . 1 1 36 36 GLU CB C 13 30.792 0.000 . . . . . . . 36 E CB . 27667 1 286 . 1 1 36 36 GLU CG C 13 32.838 0.000 . . . . . . . 36 E CG . 27667 1 287 . 1 1 36 36 GLU N N 15 128.807 0.000 . . . . . . . 36 E N . 27667 1 288 . 1 1 37 37 SER H H 1 8.238 0.000 . . . . . . . 37 S H . 27667 1 289 . 1 1 37 37 SER HA H 1 4.785 0.000 . . . . . . . 37 S HA . 27667 1 290 . 1 1 37 37 SER HB2 H 1 4.044 0.000 . . . . . . . 37 S HB2 . 27667 1 291 . 1 1 37 37 SER HB3 H 1 3.938 0.000 . . . . . . . 37 S HB3 . 27667 1 292 . 1 1 37 37 SER CA C 13 53.687 0.000 . . . . . . . 37 S CA . 27667 1 293 . 1 1 37 37 SER CB C 13 61.665 0.000 . . . . . . . 37 S CB . 27667 1 294 . 1 1 37 37 SER N N 15 114.525 0.000 . . . . . . . 37 S N . 27667 1 295 . 1 1 38 38 ASN H H 1 9.301 0.000 . . . . . . . 38 N H . 27667 1 296 . 1 1 38 38 ASN HA H 1 4.799 0.000 . . . . . . . 38 N HA . 27667 1 297 . 1 1 38 38 ASN HB2 H 1 2.921 0.000 . . . . . . . 38 N HB2 . 27667 1 298 . 1 1 38 38 ASN HB3 H 1 2.572 0.000 . . . . . . . 38 N HB3 . 27667 1 299 . 1 1 38 38 ASN HD21 H 1 7.588 0.000 . . . . . . . 38 N HD2 . 27667 1 300 . 1 1 38 38 ASN HD22 H 1 7.588 0.000 . . . . . . . 38 N HD2 . 27667 1 301 . 1 1 38 38 ASN CA C 13 50.582 0.000 . . . . . . . 38 N CA . 27667 1 302 . 1 1 38 38 ASN CB C 13 36.234 0.000 . . . . . . . 38 N CB . 27667 1 303 . 1 1 38 38 ASN N N 15 126.481 0.000 . . . . . . . 38 N N . 27667 1 304 . 1 1 39 39 VAL H H 1 7.640 0.000 . . . . . . . 39 V H . 27667 1 305 . 1 1 39 39 VAL HB H 1 2.113 0.000 . . . . . . . 39 V HB . 27667 1 306 . 1 1 39 39 VAL HG11 H 1 0.936 0.000 . . . . . . . 39 V HG1 . 27667 1 307 . 1 1 39 39 VAL HG12 H 1 0.936 0.000 . . . . . . . 39 V HG1 . 27667 1 308 . 1 1 39 39 VAL HG13 H 1 0.936 0.000 . . . . . . . 39 V HG1 . 27667 1 309 . 1 1 39 39 VAL HG21 H 1 0.913 0.000 . . . . . . . 39 V HG2 . 27667 1 310 . 1 1 39 39 VAL HG22 H 1 0.913 0.000 . . . . . . . 39 V HG2 . 27667 1 311 . 1 1 39 39 VAL HG23 H 1 0.913 0.000 . . . . . . . 39 V HG2 . 27667 1 312 . 1 1 39 39 VAL CA C 13 55.060 0.000 . . . . . . . 39 V CA . 27667 1 313 . 1 1 39 39 VAL CB C 13 30.128 0.000 . . . . . . . 39 V CB . 27667 1 314 . 1 1 39 39 VAL N N 15 112.776 0.000 . . . . . . . 39 V N . 27667 1 315 . 1 1 43 43 VAL H H 1 7.926 0.000 . . . . . . . 43 V H . 27667 1 316 . 1 1 43 43 VAL HA H 1 4.205 0.000 . . . . . . . 43 V HA . 27667 1 317 . 1 1 43 43 VAL HB H 1 2.199 0.000 . . . . . . . 43 V HB . 27667 1 318 . 1 1 43 43 VAL HG11 H 1 0.818 0.000 . . . . . . . 43 V HG1 . 27667 1 319 . 1 1 43 43 VAL HG12 H 1 0.818 0.000 . . . . . . . 43 V HG1 . 27667 1 320 . 1 1 43 43 VAL HG13 H 1 0.818 0.000 . . . . . . . 43 V HG1 . 27667 1 321 . 1 1 43 43 VAL HG21 H 1 0.710 0.000 . . . . . . . 43 V HG2 . 27667 1 322 . 1 1 43 43 VAL HG22 H 1 0.710 0.000 . . . . . . . 43 V HG2 . 27667 1 323 . 1 1 43 43 VAL HG23 H 1 0.710 0.000 . . . . . . . 43 V HG2 . 27667 1 324 . 1 1 43 43 VAL CA C 13 58.582 0.000 . . . . . . . 43 V CA . 27667 1 325 . 1 1 43 43 VAL CB C 13 30.377 0.000 . . . . . . . 43 V CB . 27667 1 326 . 1 1 43 43 VAL CG1 C 13 19.507 0.000 . . . . . . . 43 V CG1 . 27667 1 327 . 1 1 43 43 VAL CG2 C 13 18.189 0.000 . . . . . . . 43 V CG2 . 27667 1 328 . 1 1 43 43 VAL N N 15 123.595 0.000 . . . . . . . 43 V N . 27667 1 329 . 1 1 44 44 GLU H H 1 8.612 0.000 . . . . . . . 44 E H . 27667 1 330 . 1 1 44 44 GLU HA H 1 4.168 0.000 . . . . . . . 44 E HA . 27667 1 331 . 1 1 44 44 GLU HB2 H 1 1.893 0.000 . . . . . . . 44 E HB2 . 27667 1 332 . 1 1 44 44 GLU HB3 H 1 1.804 0.000 . . . . . . . 44 E HB3 . 27667 1 333 . 1 1 44 44 GLU CA C 13 53.298 0.000 . . . . . . . 44 E CA . 27667 1 334 . 1 1 44 44 GLU CB C 13 28.549 0.000 . . . . . . . 44 E CB . 27667 1 335 . 1 1 44 44 GLU CG C 13 34.543 0.000 . . . . . . . 44 E CG . 27667 1 336 . 1 1 44 44 GLU N N 15 125.932 0.000 . . . . . . . 44 E N . 27667 1 337 . 1 1 45 45 ALA H H 1 8.817 0.000 . . . . . . . 45 A H . 27667 1 338 . 1 1 45 45 ALA HA H 1 4.638 0.000 . . . . . . . 45 A HA . 27667 1 339 . 1 1 45 45 ALA CA C 13 48.014 0.000 . . . . . . . 45 A CA . 27667 1 340 . 1 1 45 45 ALA CB C 13 20.491 0.000 . . . . . . . 45 A CB . 27667 1 341 . 1 1 45 45 ALA N N 15 123.568 0.000 . . . . . . . 45 A N . 27667 1 342 . 1 1 46 46 TYR H H 1 8.555 0.000 . . . . . . . 46 Y H . 27667 1 343 . 1 1 46 46 TYR HA H 1 4.678 0.000 . . . . . . . 46 Y HA . 27667 1 344 . 1 1 46 46 TYR HB2 H 1 3.327 0.000 . . . . . . . 46 Y HB2 . 27667 1 345 . 1 1 46 46 TYR HB3 H 1 2.824 0.000 . . . . . . . 46 Y HB3 . 27667 1 346 . 1 1 46 46 TYR CA C 13 53.657 0.000 . . . . . . . 46 Y CA . 27667 1 347 . 1 1 46 46 TYR CB C 13 35.191 0.000 . . . . . . . 46 Y CB . 27667 1 348 . 1 1 46 46 TYR N N 15 122.994 0.000 . . . . . . . 46 Y N . 27667 1 349 . 1 1 47 47 ILE H H 1 8.392 0.000 . . . . . . . 47 I H . 27667 1 350 . 1 1 47 47 ILE CA C 13 55.955 0.000 . . . . . . . 47 I CA . 27667 1 351 . 1 1 47 47 ILE CB C 13 40.668 0.000 . . . . . . . 47 I CB . 27667 1 352 . 1 1 47 47 ILE N N 15 116.768 0.000 . . . . . . . 47 I N . 27667 1 353 . 1 1 48 48 ASP H H 1 10.511 0.000 . . . . . . . 48 D H . 27667 1 354 . 1 1 48 48 ASP CA C 13 48.543 0.000 . . . . . . . 48 D CA . 27667 1 355 . 1 1 48 48 ASP CB C 13 39.576 0.000 . . . . . . . 48 D CB . 27667 1 356 . 1 1 48 48 ASP N N 15 125.809 0.000 . . . . . . . 48 D N . 27667 1 357 . 1 1 50 50 THR H H 1 7.565 0.000 . . . . . . . 50 T H . 27667 1 358 . 1 1 50 50 THR HA H 1 4.141 0.000 . . . . . . . 50 T HA . 27667 1 359 . 1 1 50 50 THR HB H 1 3.779 0.000 . . . . . . . 50 T HB . 27667 1 360 . 1 1 50 50 THR HG21 H 1 1.110 0.000 . . . . . . . 50 T HG2 . 27667 1 361 . 1 1 50 50 THR HG22 H 1 1.110 0.000 . . . . . . . 50 T HG2 . 27667 1 362 . 1 1 50 50 THR HG23 H 1 1.110 0.000 . . . . . . . 50 T HG2 . 27667 1 363 . 1 1 50 50 THR CA C 13 63.598 0.000 . . . . . . . 50 T CA . 27667 1 364 . 1 1 50 50 THR CB C 13 65.483 0.000 . . . . . . . 50 T CB . 27667 1 365 . 1 1 50 50 THR CG2 C 13 18.809 0.000 . . . . . . . 50 T CG2 . 27667 1 366 . 1 1 50 50 THR N N 15 115.240 0.000 . . . . . . . 50 T N . 27667 1 367 . 1 1 51 51 ARG H H 1 7.964 0.000 . . . . . . . 51 R H . 27667 1 368 . 1 1 51 51 ARG HA H 1 4.155 0.000 . . . . . . . 51 R HA . 27667 1 369 . 1 1 51 51 ARG HB2 H 1 1.898 0.000 . . . . . . . 51 R HB2 . 27667 1 370 . 1 1 51 51 ARG HB3 H 1 1.701 0.000 . . . . . . . 51 R HB3 . 27667 1 371 . 1 1 51 51 ARG CA C 13 54.582 0.000 . . . . . . . 51 R CA . 27667 1 372 . 1 1 51 51 ARG CB C 13 27.141 0.000 . . . . . . . 51 R CB . 27667 1 373 . 1 1 51 51 ARG N N 15 120.341 0.000 . . . . . . . 51 R N . 27667 1 374 . 1 1 53 53 ARG H H 1 8.260 0.000 . . . . . . . 53 R H . 27667 1 375 . 1 1 53 53 ARG CA C 13 58.427 0.000 . . . . . . . 53 R CA . 27667 1 376 . 1 1 53 53 ARG CB C 13 26.726 0.000 . . . . . . . 53 R CB . 27667 1 377 . 1 1 53 53 ARG CG C 13 26.250 0.000 . . . . . . . 53 R CG . 27667 1 378 . 1 1 53 53 ARG N N 15 122.444 0.000 . . . . . . . 53 R N . 27667 1 379 . 1 1 54 54 GLN H H 1 7.338 0.000 . . . . . . . 54 Q H . 27667 1 380 . 1 1 54 54 GLN HA H 1 4.235 0.000 . . . . . . . 54 Q HA . 27667 1 381 . 1 1 54 54 GLN HB2 H 1 2.130 0.000 . . . . . . . 54 Q HB2 . 27667 1 382 . 1 1 54 54 GLN HB3 H 1 1.835 0.000 . . . . . . . 54 Q HB3 . 27667 1 383 . 1 1 54 54 GLN CA C 13 56.612 0.000 . . . . . . . 54 Q CA . 27667 1 384 . 1 1 54 54 GLN CB C 13 24.983 0.000 . . . . . . . 54 Q CB . 27667 1 385 . 1 1 54 54 GLN N N 15 117.736 0.000 . . . . . . . 54 Q N . 27667 1 386 . 1 1 55 55 VAL H H 1 7.583 0.000 . . . . . . . 55 V H . 27667 1 387 . 1 1 55 55 VAL CA C 13 63.657 0.000 . . . . . . . 55 V CA . 27667 1 388 . 1 1 55 55 VAL CB C 13 28.634 0.000 . . . . . . . 55 V CB . 27667 1 389 . 1 1 55 55 VAL N N 15 120.059 0.000 . . . . . . . 55 V N . 27667 1 390 . 1 1 56 56 LEU H H 1 8.033 0.000 . . . . . . . 56 L H . 27667 1 391 . 1 1 56 56 LEU HA H 1 4.638 0.000 . . . . . . . 56 L HA . 27667 1 392 . 1 1 56 56 LEU HB2 H 1 1.821 0.000 . . . . . . . 56 L HB2 . 27667 1 393 . 1 1 56 56 LEU HB3 H 1 1.754 0.000 . . . . . . . 56 L HB3 . 27667 1 394 . 1 1 56 56 LEU CA C 13 55.030 0.000 . . . . . . . 56 L CA . 27667 1 395 . 1 1 56 56 LEU CB C 13 38.842 0.000 . . . . . . . 56 L CB . 27667 1 396 . 1 1 56 56 LEU N N 15 117.725 0.000 . . . . . . . 56 L N . 27667 1 397 . 1 1 57 57 LEU H H 1 8.826 0.000 . . . . . . . 57 L H . 27667 1 398 . 1 1 57 57 LEU HB2 H 1 1.633 0.000 . . . . . . . 57 L HB2 . 27667 1 399 . 1 1 57 57 LEU HB3 H 1 1.566 0.000 . . . . . . . 57 L HB3 . 27667 1 400 . 1 1 57 57 LEU CA C 13 55.627 0.000 . . . . . . . 57 L CA . 27667 1 401 . 1 1 57 57 LEU CB C 13 38.510 0.000 . . . . . . . 57 L CB . 27667 1 402 . 1 1 57 57 LEU N N 15 118.391 0.000 . . . . . . . 57 L N . 27667 1 403 . 1 1 58 58 ASN H H 1 8.187 0.000 . . . . . . . 58 N H . 27667 1 404 . 1 1 58 58 ASN HA H 1 4.651 0.000 . . . . . . . 58 N HA . 27667 1 405 . 1 1 58 58 ASN HB2 H 1 2.867 0.000 . . . . . . . 58 N HB2 . 27667 1 406 . 1 1 58 58 ASN HB3 H 1 2.800 0.000 . . . . . . . 58 N HB3 . 27667 1 407 . 1 1 58 58 ASN CA C 13 53.537 0.000 . . . . . . . 58 N CA . 27667 1 408 . 1 1 58 58 ASN CB C 13 35.523 0.000 . . . . . . . 58 N CB . 27667 1 409 . 1 1 58 58 ASN N N 15 118.781 0.000 . . . . . . . 58 N N . 27667 1 410 . 1 1 59 59 LEU H H 1 7.930 0.000 . . . . . . . 59 L H . 27667 1 411 . 1 1 59 59 LEU CA C 13 54.911 0.000 . . . . . . . 59 L CA . 27667 1 412 . 1 1 59 59 LEU CB C 13 38.676 0.000 . . . . . . . 59 L CB . 27667 1 413 . 1 1 59 59 LEU N N 15 118.948 0.000 . . . . . . . 59 L N . 27667 1 414 . 1 1 60 60 LEU H H 1 8.969 0.000 . . . . . . . 60 L H . 27667 1 415 . 1 1 60 60 LEU HB2 H 1 1.741 0.000 . . . . . . . 60 L HB2 . 27667 1 416 . 1 1 60 60 LEU HB3 H 1 1.613 0.000 . . . . . . . 60 L HB3 . 27667 1 417 . 1 1 60 60 LEU CA C 13 55.955 0.000 . . . . . . . 60 L CA . 27667 1 418 . 1 1 60 60 LEU CB C 13 39.672 0.000 . . . . . . . 60 L CB . 27667 1 419 . 1 1 60 60 LEU CG C 13 28.343 0.000 . . . . . . . 60 L CG . 27667 1 420 . 1 1 60 60 LEU CD1 C 13 24.080 0.000 . . . . . . . 60 L CD1 . 27667 1 421 . 1 1 60 60 LEU CD2 C 13 20.359 0.000 . . . . . . . 60 L CD2 . 27667 1 422 . 1 1 60 60 LEU N N 15 122.284 0.000 . . . . . . . 60 L N . 27667 1 423 . 1 1 61 61 ASN H H 1 8.574 0.000 . . . . . . . 61 N H . 27667 1 424 . 1 1 61 61 ASN HA H 1 4.986 0.000 . . . . . . . 61 N HA . 27667 1 425 . 1 1 61 61 ASN HB2 H 1 2.545 0.000 . . . . . . . 61 N HB2 . 27667 1 426 . 1 1 61 61 ASN HB3 H 1 2.733 0.000 . . . . . . . 61 N HB3 . 27667 1 427 . 1 1 61 61 ASN HD21 H 1 7.789 0.000 . . . . . . . 61 N HD2 . 27667 1 428 . 1 1 61 61 ASN HD22 H 1 7.789 0.000 . . . . . . . 61 N HD2 . 27667 1 429 . 1 1 61 61 ASN CA C 13 54.642 0.000 . . . . . . . 61 N CA . 27667 1 430 . 1 1 61 61 ASN CB C 13 36.436 0.000 . . . . . . . 61 N CB . 27667 1 431 . 1 1 61 61 ASN N N 15 117.019 0.000 . . . . . . . 61 N N . 27667 1 432 . 1 1 63 63 GLY H H 1 7.794 0.000 . . . . . . . 63 G H . 27667 1 433 . 1 1 63 63 GLY HA2 H 1 3.726 0.000 . . . . . . . 63 G HA2 . 27667 1 434 . 1 1 63 63 GLY HA3 H 1 3.337 0.000 . . . . . . . 63 G HA3 . 27667 1 435 . 1 1 63 63 GLY CA C 13 44.313 0.000 . . . . . . . 63 G CA . 27667 1 436 . 1 1 63 63 GLY N N 15 106.928 0.000 . . . . . . . 63 G N . 27667 1 437 . 1 1 64 64 VAL H H 1 7.555 0.000 . . . . . . . 64 V H . 27667 1 438 . 1 1 64 64 VAL CA C 13 63.389 0.000 . . . . . . . 64 V CA . 27667 1 439 . 1 1 64 64 VAL CB C 13 28.800 0.000 . . . . . . . 64 V CB . 27667 1 440 . 1 1 64 64 VAL N N 15 119.421 0.000 . . . . . . . 64 V N . 27667 1 441 . 1 1 66 66 TYR H H 1 7.844 0.000 . . . . . . . 66 Y H . 27667 1 442 . 1 1 66 66 TYR HA H 1 4.235 0.000 . . . . . . . 66 Y HA . 27667 1 443 . 1 1 66 66 TYR HB2 H 1 2.590 0.000 . . . . . . . 66 Y HB2 . 27667 1 444 . 1 1 66 66 TYR HB3 H 1 2.517 0.000 . . . . . . . 66 Y HB3 . 27667 1 445 . 1 1 66 66 TYR CA C 13 53.806 0.000 . . . . . . . 66 Y CA . 27667 1 446 . 1 1 66 66 TYR CB C 13 35.357 0.000 . . . . . . . 66 Y CB . 27667 1 447 . 1 1 66 66 TYR N N 15 118.051 0.000 . . . . . . . 66 Y N . 27667 1 448 . 1 1 68 68 LYS H H 1 9.012 0.000 . . . . . . . 68 K H . 27667 1 449 . 1 1 68 68 LYS HA H 1 4.343 0.000 . . . . . . . 68 K HA . 27667 1 450 . 1 1 68 68 LYS HB2 H 1 1.607 0.000 . . . . . . . 68 K HB2 . 27667 1 451 . 1 1 68 68 LYS HB3 H 1 1.515 0.000 . . . . . . . 68 K HB3 . 27667 1 452 . 1 1 68 68 LYS CA C 13 54.433 0.000 . . . . . . . 68 K CA . 27667 1 453 . 1 1 68 68 LYS CB C 13 30.899 0.000 . . . . . . . 68 K CB . 27667 1 454 . 1 1 68 68 LYS CG C 13 23.770 0.000 . . . . . . . 68 K CG . 27667 1 455 . 1 1 68 68 LYS CD C 13 27.103 0.000 . . . . . . . 68 K CD . 27667 1 456 . 1 1 68 68 LYS N N 15 121.321 0.000 . . . . . . . 68 K N . 27667 1 457 . 1 1 69 69 LYS H H 1 8.354 0.000 . . . . . . . 69 K H . 27667 1 458 . 1 1 69 69 LYS HA H 1 4.678 0.000 . . . . . . . 69 K HA . 27667 1 459 . 1 1 69 69 LYS HB2 H 1 1.699 0.000 . . . . . . . 69 K HB2 . 27667 1 460 . 1 1 69 69 LYS HB3 H 1 1.605 0.000 . . . . . . . 69 K HB3 . 27667 1 461 . 1 1 69 69 LYS CA C 13 56.105 0.000 . . . . . . . 69 K CA . 27667 1 462 . 1 1 69 69 LYS CB C 13 29.796 0.000 . . . . . . . 69 K CB . 27667 1 463 . 1 1 69 69 LYS N N 15 123.021 0.000 . . . . . . . 69 K N . 27667 1 464 . 1 1 70 70 ASP H H 1 8.383 0.000 . . . . . . . 70 D H . 27667 1 465 . 1 1 70 70 ASP HA H 1 4.664 0.000 . . . . . . . 70 D HA . 27667 1 466 . 1 1 70 70 ASP CA C 13 51.000 0.000 . . . . . . . 70 D CA . 27667 1 467 . 1 1 70 70 ASP CB C 13 38.179 0.000 . . . . . . . 70 D CB . 27667 1 468 . 1 1 70 70 ASP N N 15 116.173 0.000 . . . . . . . 70 D N . 27667 1 469 . 1 1 71 71 ALA H H 1 7.245 0.000 . . . . . . . 71 A H . 27667 1 470 . 1 1 71 71 ALA HA H 1 4.597 0.000 . . . . . . . 71 A HA . 27667 1 471 . 1 1 71 71 ALA HB1 H 1 1.338 0.000 . . . . . . . 71 A HB . 27667 1 472 . 1 1 71 71 ALA HB2 H 1 1.338 0.000 . . . . . . . 71 A HB . 27667 1 473 . 1 1 71 71 ALA HB3 H 1 1.338 0.000 . . . . . . . 71 A HB . 27667 1 474 . 1 1 71 71 ALA CA C 13 47.806 0.000 . . . . . . . 71 A CA . 27667 1 475 . 1 1 71 71 ALA CB C 13 16.933 0.000 . . . . . . . 71 A CB . 27667 1 476 . 1 1 71 71 ALA N N 15 124.047 0.000 . . . . . . . 71 A N . 27667 1 477 . 1 1 73 73 ASP H H 1 8.054 0.000 . . . . . . . 73 D H . 27667 1 478 . 1 1 73 73 ASP HA H 1 4.571 0.000 . . . . . . . 73 D HA . 27667 1 479 . 1 1 73 73 ASP HB2 H 1 2.603 0.000 . . . . . . . 73 D HB2 . 27667 1 480 . 1 1 73 73 ASP HB3 H 1 2.518 0.000 . . . . . . . 73 D HB3 . 27667 1 481 . 1 1 73 73 ASP CA C 13 50.761 0.000 . . . . . . . 73 D CA . 27667 1 482 . 1 1 73 73 ASP CB C 13 38.012 0.000 . . . . . . . 73 D CB . 27667 1 483 . 1 1 73 73 ASP N N 15 118.505 0.000 . . . . . . . 73 D N . 27667 1 484 . 1 1 74 74 LYS H H 1 8.423 0.000 . . . . . . . 74 K H . 27667 1 485 . 1 1 74 74 LYS HA H 1 4.584 0.000 . . . . . . . 74 K HA . 27667 1 486 . 1 1 74 74 LYS CA C 13 54.164 0.000 . . . . . . . 74 K CA . 27667 1 487 . 1 1 74 74 LYS CB C 13 31.788 0.000 . . . . . . . 74 K CB . 27667 1 488 . 1 1 74 74 LYS CG C 13 21.289 0.000 . . . . . . . 74 K CG . 27667 1 489 . 1 1 74 74 LYS CD C 13 27.180 0.000 . . . . . . . 74 K CD . 27667 1 490 . 1 1 74 74 LYS N N 15 122.491 0.000 . . . . . . . 74 K N . 27667 1 491 . 1 1 75 75 TYR H H 1 9.078 0.000 . . . . . . . 75 Y H . 27667 1 492 . 1 1 75 75 TYR HA H 1 4.450 0.000 . . . . . . . 75 Y HA . 27667 1 493 . 1 1 75 75 TYR HB2 H 1 2.822 0.000 . . . . . . . 75 Y HB2 . 27667 1 494 . 1 1 75 75 TYR HB3 H 1 2.733 0.000 . . . . . . . 75 Y HB3 . 27667 1 495 . 1 1 75 75 TYR CA C 13 54.194 0.000 . . . . . . . 75 Y CA . 27667 1 496 . 1 1 75 75 TYR CB C 13 39.174 0.000 . . . . . . . 75 Y CB . 27667 1 497 . 1 1 75 75 TYR N N 15 121.635 0.000 . . . . . . . 75 Y N . 27667 1 498 . 1 1 76 76 VAL H H 1 8.534 0.000 . . . . . . . 76 V H . 27667 1 499 . 1 1 76 76 VAL CA C 13 58.648 0.000 . . . . . . . 76 V CA . 27667 1 500 . 1 1 76 76 VAL CB C 13 32.377 0.000 . . . . . . . 76 V CB . 27667 1 501 . 1 1 76 76 VAL N N 15 119.091 0.000 . . . . . . . 76 V N . 27667 1 502 . 1 1 77 77 LYS H H 1 9.971 0.000 . . . . . . . 77 K H . 27667 1 503 . 1 1 77 77 LYS CA C 13 50.940 0.000 . . . . . . . 77 K CA . 27667 1 504 . 1 1 77 77 LYS CB C 13 34.469 0.000 . . . . . . . 77 K CB . 27667 1 505 . 1 1 77 77 LYS N N 15 127.814 0.000 . . . . . . . 77 K N . 27667 1 506 . 1 1 78 78 VAL H H 1 8.929 0.000 . . . . . . . 78 V H . 27667 1 507 . 1 1 78 78 VAL CA C 13 57.478 0.000 . . . . . . . 78 V CA . 27667 1 508 . 1 1 78 78 VAL CB C 13 30.211 0.000 . . . . . . . 78 V CB . 27667 1 509 . 1 1 78 78 VAL CG1 C 13 21.910 0.000 . . . . . . . 78 V CG1 . 27667 1 510 . 1 1 78 78 VAL CG2 C 13 19.352 0.000 . . . . . . . 78 V CG2 . 27667 1 511 . 1 1 78 78 VAL N N 15 125.462 0.000 . . . . . . . 78 V N . 27667 1 512 . 1 1 79 79 ILE H H 1 9.564 0.000 . . . . . . . 79 I H . 27667 1 513 . 1 1 79 79 ILE CA C 13 57.090 0.000 . . . . . . . 79 I CA . 27667 1 514 . 1 1 79 79 ILE CB C 13 38.818 0.000 . . . . . . . 79 I CB . 27667 1 515 . 1 1 79 79 ILE CG1 C 13 25.010 0.000 . . . . . . . 79 I CG1 . 27667 1 516 . 1 1 79 79 ILE CG2 C 13 16.484 0.000 . . . . . . . 79 I CG2 . 27667 1 517 . 1 1 79 79 ILE CD1 C 13 15.166 0.000 . . . . . . . 79 I CD1 . 27667 1 518 . 1 1 79 79 ILE N N 15 127.915 0.000 . . . . . . . 79 I N . 27667 1 519 . 1 1 80 80 LEU H H 1 8.286 0.000 . . . . . . . 80 L H . 27667 1 520 . 1 1 80 80 LEU HA H 1 4.745 0.000 . . . . . . . 80 L HA . 27667 1 521 . 1 1 80 80 LEU HB2 H 1 1.905 0.000 . . . . . . . 80 L HB2 . 27667 1 522 . 1 1 80 80 LEU HB3 H 1 1.815 0.000 . . . . . . . 80 L HB3 . 27667 1 523 . 1 1 80 80 LEU CA C 13 50.671 0.000 . . . . . . . 80 L CA . 27667 1 524 . 1 1 80 80 LEU CB C 13 43.822 0.000 . . . . . . . 80 L CB . 27667 1 525 . 1 1 80 80 LEU N N 15 127.396 0.000 . . . . . . . 80 L N . 27667 1 526 . 1 1 81 81 ASP H H 1 9.195 0.000 . . . . . . . 81 D H . 27667 1 527 . 1 1 81 81 ASP HA H 1 4.799 0.000 . . . . . . . 81 D HA . 27667 1 528 . 1 1 81 81 ASP HB2 H 1 2.540 0.000 . . . . . . . 81 D HB2 . 27667 1 529 . 1 1 81 81 ASP HB3 H 1 2.505 0.000 . . . . . . . 81 D HB3 . 27667 1 530 . 1 1 81 81 ASP CA C 13 49.328 0.000 . . . . . . . 81 D CA . 27667 1 531 . 1 1 81 81 ASP CB C 13 43.355 0.000 . . . . . . . 81 D CB . 27667 1 532 . 1 1 81 81 ASP N N 15 125.654 0.000 . . . . . . . 81 D N . 27667 1 533 . 1 1 82 82 GLU H H 1 9.505 0.000 . . . . . . . 82 E H . 27667 1 534 . 1 1 82 82 GLU HA H 1 4.812 0.000 . . . . . . . 82 E HA . 27667 1 535 . 1 1 82 82 GLU HB2 H 1 1.915 0.000 . . . . . . . 82 E HB2 . 27667 1 536 . 1 1 82 82 GLU HB3 H 1 1.817 0.000 . . . . . . . 82 E HB3 . 27667 1 537 . 1 1 82 82 GLU HG2 H 1 2.547 0.000 . . . . . . . 82 E HG2 . 27667 1 538 . 1 1 82 82 GLU HG3 H 1 2.518 0.000 . . . . . . . 82 E HG3 . 27667 1 539 . 1 1 82 82 GLU CA C 13 53.149 0.000 . . . . . . . 82 E CA . 27667 1 540 . 1 1 82 82 GLU CB C 13 30.377 0.000 . . . . . . . 82 E CB . 27667 1 541 . 1 1 82 82 GLU N N 15 120.358 0.000 . . . . . . . 82 E N . 27667 1 542 . 1 1 83 83 LYS H H 1 8.157 0.000 . . . . . . . 83 K H . 27667 1 543 . 1 1 83 83 LYS HA H 1 4.235 0.000 . . . . . . . 83 K HA . 27667 1 544 . 1 1 83 83 LYS HB2 H 1 1.806 0.000 . . . . . . . 83 K HB2 . 27667 1 545 . 1 1 83 83 LYS HB3 H 1 1.713 0.000 . . . . . . . 83 K HB3 . 27667 1 546 . 1 1 83 83 LYS HG2 H 1 1.384 0.000 . . . . . . . 83 K HG2 . 27667 1 547 . 1 1 83 83 LYS HG3 H 1 1.298 0.000 . . . . . . . 83 K HG3 . 27667 1 548 . 1 1 83 83 LYS CA C 13 60.165 0.000 . . . . . . . 83 K CA . 27667 1 549 . 1 1 83 83 LYS CB C 13 34.361 0.000 . . . . . . . 83 K CB . 27667 1 550 . 1 1 83 83 LYS N N 15 119.225 0.000 . . . . . . . 83 K N . 27667 1 551 . 1 1 85 85 GLY H H 1 8.937 0.000 . . . . . . . 85 G H . 27667 1 552 . 1 1 85 85 GLY HA2 H 1 4.235 0.000 . . . . . . . 85 G HA2 . 27667 1 553 . 1 1 85 85 GLY HA3 H 1 3.806 0.000 . . . . . . . 85 G HA3 . 27667 1 554 . 1 1 85 85 GLY CA C 13 43.238 0.000 . . . . . . . 85 G CA . 27667 1 555 . 1 1 85 85 GLY N N 15 105.003 0.000 . . . . . . . 85 G N . 27667 1 556 . 1 1 86 86 GLY H H 1 8.152 0.000 . . . . . . . 86 G H . 27667 1 557 . 1 1 86 86 GLY HA2 H 1 4.343 0.000 . . . . . . . 86 G HA2 . 27667 1 558 . 1 1 86 86 GLY HA3 H 1 3.793 0.000 . . . . . . . 86 G HA3 . 27667 1 559 . 1 1 86 86 GLY CA C 13 41.417 0.000 . . . . . . . 86 G CA . 27667 1 560 . 1 1 86 86 GLY N N 15 108.539 0.000 . . . . . . . 86 G N . 27667 1 561 . 1 1 87 87 VAL H H 1 8.562 0.000 . . . . . . . 87 V H . 27667 1 562 . 1 1 87 87 VAL HA H 1 4.383 0.000 . . . . . . . 87 V HA . 27667 1 563 . 1 1 87 87 VAL CA C 13 58.409 0.000 . . . . . . . 87 V CA . 27667 1 564 . 1 1 87 87 VAL CB C 13 30.792 0.000 . . . . . . . 87 V CB . 27667 1 565 . 1 1 87 87 VAL CG1 C 13 19.817 0.000 . . . . . . . 87 V CG1 . 27667 1 566 . 1 1 87 87 VAL CG2 C 13 18.267 0.000 . . . . . . . 87 V CG2 . 27667 1 567 . 1 1 87 87 VAL N N 15 119.481 0.000 . . . . . . . 87 V N . 27667 1 568 . 1 1 88 88 LEU H H 1 8.596 0.000 . . . . . . . 88 L H . 27667 1 569 . 1 1 88 88 LEU HA H 1 4.356 0.000 . . . . . . . 88 L HA . 27667 1 570 . 1 1 88 88 LEU HB2 H 1 1.513 0.000 . . . . . . . 88 L HB2 . 27667 1 571 . 1 1 88 88 LEU HB3 H 1 1.614 0.000 . . . . . . . 88 L HB3 . 27667 1 572 . 1 1 88 88 LEU CA C 13 49.836 0.000 . . . . . . . 88 L CA . 27667 1 573 . 1 1 88 88 LEU CB C 13 44.486 0.000 . . . . . . . 88 L CB . 27667 1 574 . 1 1 88 88 LEU N N 15 126.573 0.000 . . . . . . . 88 L N . 27667 1 575 . 1 1 89 89 ILE H H 1 9.708 0.000 . . . . . . . 89 I H . 27667 1 576 . 1 1 89 89 ILE HA H 1 4.678 0.000 . . . . . . . 89 I HA . 27667 1 577 . 1 1 89 89 ILE HB H 1 1.861 0.000 . . . . . . . 89 I HB . 27667 1 578 . 1 1 89 89 ILE HG12 H 1 1.459 0.000 . . . . . . . 89 I HG12 . 27667 1 579 . 1 1 89 89 ILE HG13 H 1 1.110 0.000 . . . . . . . 89 I HG13 . 27667 1 580 . 1 1 89 89 ILE CA C 13 57.209 0.000 . . . . . . . 89 I CA . 27667 1 581 . 1 1 89 89 ILE CB C 13 37.935 0.000 . . . . . . . 89 I CB . 27667 1 582 . 1 1 89 89 ILE N N 15 128.439 0.000 . . . . . . . 89 I N . 27667 1 583 . 1 1 90 90 ILE H H 1 8.981 0.000 . . . . . . . 90 I H . 27667 1 584 . 1 1 90 90 ILE HA H 1 4.718 0.000 . . . . . . . 90 I HA . 27667 1 585 . 1 1 90 90 ILE CA C 13 56.314 0.000 . . . . . . . 90 I CA . 27667 1 586 . 1 1 90 90 ILE CB C 13 38.427 0.000 . . . . . . . 90 I CB . 27667 1 587 . 1 1 90 90 ILE CG1 C 13 24.157 0.000 . . . . . . . 90 I CG1 . 27667 1 588 . 1 1 90 90 ILE CG2 C 13 15.240 0.000 . . . . . . . 90 I CG2 . 27667 1 589 . 1 1 90 90 ILE CD1 C 13 13.539 0.000 . . . . . . . 90 I CD1 . 27667 1 590 . 1 1 90 90 ILE N N 15 126.501 0.000 . . . . . . . 90 I N . 27667 1 591 . 1 1 91 91 VAL H H 1 9.078 0.000 . . . . . . . 91 V H . 27667 1 592 . 1 1 91 91 VAL CA C 13 58.881 0.000 . . . . . . . 91 V CA . 27667 1 593 . 1 1 91 91 VAL CB C 13 29.547 0.000 . . . . . . . 91 V CB . 27667 1 594 . 1 1 91 91 VAL N N 15 125.479 0.000 . . . . . . . 91 V N . 27667 1 595 . 1 1 92 92 GLU H H 1 9.834 0.000 . . . . . . . 92 E H . 27667 1 596 . 1 1 92 92 GLU HA H 1 4.839 0.000 . . . . . . . 92 E HA . 27667 1 597 . 1 1 92 92 GLU HB2 H 1 1.912 0.000 . . . . . . . 92 E HB2 . 27667 1 598 . 1 1 92 92 GLU HB3 H 1 1.810 0.000 . . . . . . . 92 E HB3 . 27667 1 599 . 1 1 92 92 GLU CA C 13 51.252 0.000 . . . . . . . 92 E CA . 27667 1 600 . 1 1 92 92 GLU CB C 13 31.871 0.000 . . . . . . . 92 E CB . 27667 1 601 . 1 1 92 92 GLU CG C 13 34.388 0.000 . . . . . . . 92 E CG . 27667 1 602 . 1 1 92 92 GLU N N 15 131.757 0.000 . . . . . . . 92 E N . 27667 1 603 . 1 1 93 93 ASP H H 1 9.149 0.000 . . . . . . . 93 D H . 27667 1 604 . 1 1 93 93 ASP HA H 1 4.745 0.000 . . . . . . . 93 D HA . 27667 1 605 . 1 1 93 93 ASP CA C 13 49.925 0.000 . . . . . . . 93 D CA . 27667 1 606 . 1 1 93 93 ASP CB C 13 43.905 0.000 . . . . . . . 93 D CB . 27667 1 607 . 1 1 93 93 ASP N N 15 122.982 0.000 . . . . . . . 93 D N . 27667 1 608 . 1 1 94 94 ASN H H 1 7.402 0.000 . . . . . . . 94 N H . 27667 1 609 . 1 1 94 94 ASN HA H 1 4.651 0.000 . . . . . . . 94 N HA . 27667 1 610 . 1 1 94 94 ASN HB2 H 1 3.015 0.000 . . . . . . . 94 N HB2 . 27667 1 611 . 1 1 94 94 ASN HB3 H 1 2.930 0.000 . . . . . . . 94 N HB3 . 27667 1 612 . 1 1 94 94 ASN CA C 13 48.194 0.000 . . . . . . . 94 N CA . 27667 1 613 . 1 1 94 94 ASN CB C 13 34.029 0.000 . . . . . . . 94 N CB . 27667 1 614 . 1 1 94 94 ASN N N 15 119.366 0.000 . . . . . . . 94 N N . 27667 1 615 . 1 1 95 95 GLY H H 1 9.438 0.000 . . . . . . . 95 G H . 27667 1 616 . 1 1 95 95 GLY HA2 H 1 4.369 0.000 . . . . . . . 95 G HA2 . 27667 1 617 . 1 1 95 95 GLY HA3 H 1 3.873 0.000 . . . . . . . 95 G HA3 . 27667 1 618 . 1 1 95 95 GLY CA C 13 42.611 0.000 . . . . . . . 95 G CA . 27667 1 619 . 1 1 95 95 GLY N N 15 110.654 0.000 . . . . . . . 95 G N . 27667 1 620 . 1 1 96 96 ILE H H 1 8.045 0.000 . . . . . . . 96 I H . 27667 1 621 . 1 1 96 96 ILE HA H 1 4.195 0.000 . . . . . . . 96 I HA . 27667 1 622 . 1 1 96 96 ILE HB H 1 1.821 0.000 . . . . . . . 96 I HB . 27667 1 623 . 1 1 96 96 ILE CA C 13 61.180 0.000 . . . . . . . 96 I CA . 27667 1 624 . 1 1 96 96 ILE N N 15 112.158 0.000 . . . . . . . 96 I N . 27667 1 625 . 1 1 97 97 GLY H H 1 8.612 0.000 . . . . . . . 97 G H . 27667 1 626 . 1 1 97 97 GLY HA2 H 1 3.833 0.000 . . . . . . . 97 G HA2 . 27667 1 627 . 1 1 97 97 GLY HA3 H 1 3.162 0.000 . . . . . . . 97 G HA3 . 27667 1 628 . 1 1 97 97 GLY CA C 13 41.298 0.000 . . . . . . . 97 G CA . 27667 1 629 . 1 1 97 97 GLY N N 15 110.312 0.000 . . . . . . . 97 G N . 27667 1 630 . 1 1 98 98 ILE H H 1 7.707 0.000 . . . . . . . 98 I H . 27667 1 631 . 1 1 98 98 ILE CA C 13 55.060 0.000 . . . . . . . 98 I CA . 27667 1 632 . 1 1 98 98 ILE CB C 13 38.676 0.000 . . . . . . . 98 I CB . 27667 1 633 . 1 1 98 98 ILE N N 15 117.979 0.000 . . . . . . . 98 I N . 27667 1 634 . 1 1 101 101 HIS H H 1 8.758 0.000 . . . . . . . 101 H H . 27667 1 635 . 1 1 101 101 HIS HA H 1 4.705 0.000 . . . . . . . 101 H HA . 27667 1 636 . 1 1 101 101 HIS HB2 H 1 2.854 0.000 . . . . . . . 101 H HB2 . 27667 1 637 . 1 1 101 101 HIS HB3 H 1 2.787 0.000 . . . . . . . 101 H HB3 . 27667 1 638 . 1 1 101 101 HIS CA C 13 55.448 0.000 . . . . . . . 101 H CA . 27667 1 639 . 1 1 101 101 HIS CB C 13 29.612 0.000 . . . . . . . 101 H CB . 27667 1 640 . 1 1 101 101 HIS N N 15 122.259 0.000 . . . . . . . 101 H N . 27667 1 641 . 1 1 102 102 ALA H H 1 7.089 0.000 . . . . . . . 102 A H . 27667 1 642 . 1 1 102 102 ALA HA H 1 4.289 0.000 . . . . . . . 102 A HA . 27667 1 643 . 1 1 102 102 ALA HB1 H 1 1.472 0.000 . . . . . . . 102 A HB . 27667 1 644 . 1 1 102 102 ALA HB2 H 1 1.472 0.000 . . . . . . . 102 A HB . 27667 1 645 . 1 1 102 102 ALA HB3 H 1 1.472 0.000 . . . . . . . 102 A HB . 27667 1 646 . 1 1 102 102 ALA CA C 13 49.238 0.000 . . . . . . . 102 A CA . 27667 1 647 . 1 1 102 102 ALA CB C 13 17.099 0.000 . . . . . . . 102 A CB . 27667 1 648 . 1 1 102 102 ALA N N 15 121.927 0.000 . . . . . . . 102 A N . 27667 1 649 . 1 1 103 103 LYS H H 1 7.350 0.000 . . . . . . . 103 K H . 27667 1 650 . 1 1 103 103 LYS CA C 13 58.015 0.000 . . . . . . . 103 K CA . 27667 1 651 . 1 1 103 103 LYS CB C 13 29.630 0.000 . . . . . . . 103 K CB . 27667 1 652 . 1 1 103 103 LYS N N 15 118.711 0.000 . . . . . . . 103 K N . 27667 1 653 . 1 1 104 104 ASP H H 1 8.222 0.000 . . . . . . . 104 D H . 27667 1 654 . 1 1 104 104 ASP HA H 1 4.302 0.000 . . . . . . . 104 D HA . 27667 1 655 . 1 1 104 104 ASP HB2 H 1 2.736 0.000 . . . . . . . 104 D HB2 . 27667 1 656 . 1 1 104 104 ASP HB3 H 1 2.638 0.000 . . . . . . . 104 D HB3 . 27667 1 657 . 1 1 104 104 ASP CA C 13 53.149 0.000 . . . . . . . 104 D CA . 27667 1 658 . 1 1 104 104 ASP CB C 13 37.846 0.000 . . . . . . . 104 D CB . 27667 1 659 . 1 1 104 104 ASP N N 15 115.434 0.000 . . . . . . . 104 D N . 27667 1 660 . 1 1 105 105 ARG H H 1 7.516 0.000 . . . . . . . 105 R H . 27667 1 661 . 1 1 105 105 ARG HA H 1 4.356 0.000 . . . . . . . 105 R HA . 27667 1 662 . 1 1 105 105 ARG CA C 13 53.328 0.000 . . . . . . . 105 R CA . 27667 1 663 . 1 1 105 105 ARG CB C 13 27.805 0.000 . . . . . . . 105 R CB . 27667 1 664 . 1 1 105 105 ARG N N 15 117.622 0.000 . . . . . . . 105 R N . 27667 1 665 . 1 1 107 107 PHE H H 1 7.722 0.000 . . . . . . . 107 F H . 27667 1 666 . 1 1 107 107 PHE HA H 1 4.436 0.000 . . . . . . . 107 F HA . 27667 1 667 . 1 1 107 107 PHE HB2 H 1 3.402 0.000 . . . . . . . 107 F HB2 . 27667 1 668 . 1 1 107 107 PHE HB3 H 1 3.322 0.000 . . . . . . . 107 F HB3 . 27667 1 669 . 1 1 107 107 PHE CA C 13 55.388 0.000 . . . . . . . 107 F CA . 27667 1 670 . 1 1 107 107 PHE CB C 13 33.780 0.000 . . . . . . . 107 F CB . 27667 1 671 . 1 1 107 107 PHE N N 15 116.221 0.000 . . . . . . . 107 F N . 27667 1 672 . 1 1 108 108 GLU H H 1 7.617 0.000 . . . . . . . 108 E H . 27667 1 673 . 1 1 108 108 GLU HA H 1 4.235 0.000 . . . . . . . 108 E HA . 27667 1 674 . 1 1 108 108 GLU HB2 H 1 2.123 0.000 . . . . . . . 108 E HB2 . 27667 1 675 . 1 1 108 108 GLU HB3 H 1 2.010 0.000 . . . . . . . 108 E HB3 . 27667 1 676 . 1 1 108 108 GLU CA C 13 53.418 0.000 . . . . . . . 108 E CA . 27667 1 677 . 1 1 108 108 GLU CB C 13 27.805 0.000 . . . . . . . 108 E CB . 27667 1 678 . 1 1 108 108 GLU N N 15 118.378 0.000 . . . . . . . 108 E N . 27667 1 679 . 1 1 109 109 GLN H H 1 7.995 0.000 . . . . . . . 109 Q H . 27667 1 680 . 1 1 109 109 GLN CA C 13 57.033 0.000 . . . . . . . 109 Q CA . 27667 1 681 . 1 1 109 109 GLN CB C 13 29.668 0.000 . . . . . . . 109 Q CB . 27667 1 682 . 1 1 109 109 GLN N N 15 122.132 0.000 . . . . . . . 109 Q N . 27667 1 683 . 1 1 112 112 ARG H H 1 7.877 0.000 . . . . . . . 112 R H . 27667 1 684 . 1 1 112 112 ARG HA H 1 4.343 0.000 . . . . . . . 112 R HA . 27667 1 685 . 1 1 112 112 ARG CA C 13 52.074 0.000 . . . . . . . 112 R CA . 27667 1 686 . 1 1 112 112 ARG CB C 13 28.778 0.000 . . . . . . . 112 R CB . 27667 1 687 . 1 1 112 112 ARG N N 15 124.979 0.000 . . . . . . . 112 R N . 27667 1 688 . 1 1 113 113 VAL H H 1 8.077 0.000 . . . . . . . 113 V H . 27667 1 689 . 1 1 113 113 VAL CA C 13 59.747 0.000 . . . . . . . 113 V CA . 27667 1 690 . 1 1 113 113 VAL CB C 13 29.948 0.000 . . . . . . . 113 V CB . 27667 1 691 . 1 1 113 113 VAL N N 15 121.355 0.000 . . . . . . . 113 V N . 27667 1 692 . 1 1 114 114 ASP H H 1 8.225 0.000 . . . . . . . 114 D H . 27667 1 693 . 1 1 114 114 ASP HA H 1 4.651 0.000 . . . . . . . 114 D HA . 27667 1 694 . 1 1 114 114 ASP CA C 13 51.364 0.000 . . . . . . . 114 D CA . 27667 1 695 . 1 1 114 114 ASP CB C 13 38.846 0.000 . . . . . . . 114 D CB . 27667 1 696 . 1 1 114 114 ASP N N 15 123.191 0.000 . . . . . . . 114 D N . 27667 1 697 . 1 1 118 118 THR H H 1 7.907 0.000 . . . . . . . 118 T H . 27667 1 698 . 1 1 118 118 THR HA H 1 4.611 0.000 . . . . . . . 118 T HA . 27667 1 699 . 1 1 118 118 THR HB H 1 4.235 0.000 . . . . . . . 118 T HB . 27667 1 700 . 1 1 118 118 THR CA C 13 59.150 0.000 . . . . . . . 118 T CA . 27667 1 701 . 1 1 118 118 THR CB C 13 66.976 0.000 . . . . . . . 118 T CB . 27667 1 702 . 1 1 118 118 THR N N 15 113.110 0.000 . . . . . . . 118 T N . 27667 1 703 . 1 1 119 119 TYR H H 1 7.849 0.000 . . . . . . . 119 Y H . 27667 1 704 . 1 1 119 119 TYR HA H 1 4.584 0.000 . . . . . . . 119 Y HA . 27667 1 705 . 1 1 119 119 TYR HB2 H 1 2.827 0.000 . . . . . . . 119 Y HB2 . 27667 1 706 . 1 1 119 119 TYR HB3 H 1 2.760 0.000 . . . . . . . 119 Y HB3 . 27667 1 707 . 1 1 119 119 TYR CA C 13 54.702 0.000 . . . . . . . 119 Y CA . 27667 1 708 . 1 1 119 119 TYR CB C 13 36.021 0.000 . . . . . . . 119 Y CB . 27667 1 709 . 1 1 119 119 TYR N N 15 121.182 0.000 . . . . . . . 119 Y N . 27667 1 710 . 1 1 120 120 GLU H H 1 8.134 0.000 . . . . . . . 120 E H . 27667 1 711 . 1 1 120 120 GLU HA H 1 4.195 0.000 . . . . . . . 120 E HA . 27667 1 712 . 1 1 120 120 GLU HB2 H 1 2.076 0.000 . . . . . . . 120 E HB2 . 27667 1 713 . 1 1 120 120 GLU HB3 H 1 1.808 0.000 . . . . . . . 120 E HB3 . 27667 1 714 . 1 1 120 120 GLU CA C 13 53.544 0.000 . . . . . . . 120 E CA . 27667 1 715 . 1 1 120 120 GLU CB C 13 27.888 0.000 . . . . . . . 120 E CB . 27667 1 716 . 1 1 120 120 GLU N N 15 121.955 0.000 . . . . . . . 120 E N . 27667 1 717 . 1 1 123 123 GLY H H 1 8.428 0.000 . . . . . . . 123 G H . 27667 1 718 . 1 1 123 123 GLY HA2 H 1 4.249 0.000 . . . . . . . 123 G HA2 . 27667 1 719 . 1 1 123 123 GLY HA3 H 1 3.846 0.000 . . . . . . . 123 G HA3 . 27667 1 720 . 1 1 123 123 GLY CA C 13 42.651 0.000 . . . . . . . 123 G CA . 27667 1 721 . 1 1 123 123 GLY N N 15 108.607 0.000 . . . . . . . 123 G N . 27667 1 722 . 1 1 131 131 THR H H 1 7.304 0.000 . . . . . . . 131 T H . 27667 1 723 . 1 1 131 131 THR HA H 1 4.262 0.000 . . . . . . . 131 T HA . 27667 1 724 . 1 1 131 131 THR CA C 13 64.822 0.000 . . . . . . . 131 T CA . 27667 1 725 . 1 1 131 131 THR CB C 13 65.565 0.000 . . . . . . . 131 T CB . 27667 1 726 . 1 1 131 131 THR CG2 C 13 20.049 0.000 . . . . . . . 131 T CG2 . 27667 1 727 . 1 1 131 131 THR N N 15 118.699 0.000 . . . . . . . 131 T N . 27667 1 728 . 1 1 132 132 LYS H H 1 7.979 0.000 . . . . . . . 132 K H . 27667 1 729 . 1 1 132 132 LYS HA H 1 4.477 0.000 . . . . . . . 132 K HA . 27667 1 730 . 1 1 132 132 LYS HB2 H 1 1.910 0.000 . . . . . . . 132 K HB2 . 27667 1 731 . 1 1 132 132 LYS HB3 H 1 1.714 0.000 . . . . . . . 132 K HB3 . 27667 1 732 . 1 1 132 132 LYS CA C 13 57.388 0.000 . . . . . . . 132 K CA . 27667 1 733 . 1 1 132 132 LYS CB C 13 29.713 0.000 . . . . . . . 132 K CB . 27667 1 734 . 1 1 132 132 LYS N N 15 120.844 0.000 . . . . . . . 132 K N . 27667 1 735 . 1 1 133 133 GLU H H 1 7.765 0.000 . . . . . . . 133 E H . 27667 1 736 . 1 1 133 133 GLU HA H 1 4.021 0.000 . . . . . . . 133 E HA . 27667 1 737 . 1 1 133 133 GLU HB2 H 1 2.049 0.000 . . . . . . . 133 E HB2 . 27667 1 738 . 1 1 133 133 GLU HB3 H 1 2.010 0.000 . . . . . . . 133 E HB3 . 27667 1 739 . 1 1 133 133 GLU CA C 13 57.179 0.000 . . . . . . . 133 E CA . 27667 1 740 . 1 1 133 133 GLU CB C 13 26.892 0.000 . . . . . . . 133 E CB . 27667 1 741 . 1 1 133 133 GLU CG C 13 34.543 0.000 . . . . . . . 133 E CG . 27667 1 742 . 1 1 133 133 GLU N N 15 119.455 0.000 . . . . . . . 133 E N . 27667 1 743 . 1 1 137 137 LEU H H 1 8.738 0.000 . . . . . . . 137 L H . 27667 1 744 . 1 1 137 137 LEU HA H 1 4.168 0.000 . . . . . . . 137 L HA . 27667 1 745 . 1 1 137 137 LEU HB2 H 1 1.906 0.000 . . . . . . . 137 L HB2 . 27667 1 746 . 1 1 137 137 LEU HB3 H 1 1.813 0.000 . . . . . . . 137 L HB3 . 27667 1 747 . 1 1 137 137 LEU CA C 13 55.000 0.000 . . . . . . . 137 L CA . 27667 1 748 . 1 1 137 137 LEU CB C 13 39.506 0.000 . . . . . . . 137 L CB . 27667 1 749 . 1 1 137 137 LEU N N 15 123.801 0.000 . . . . . . . 137 L N . 27667 1 750 . 1 1 138 138 HIS H H 1 7.451 0.000 . . . . . . . 138 H H . 27667 1 751 . 1 1 138 138 HIS HA H 1 4.691 0.000 . . . . . . . 138 H HA . 27667 1 752 . 1 1 138 138 HIS HB2 H 1 3.168 0.000 . . . . . . . 138 H HB2 . 27667 1 753 . 1 1 138 138 HIS HB3 H 1 3.027 0.000 . . . . . . . 138 H HB3 . 27667 1 754 . 1 1 138 138 HIS CA C 13 56.314 0.000 . . . . . . . 138 H CA . 27667 1 755 . 1 1 138 138 HIS CB C 13 25.995 0.000 . . . . . . . 138 H CB . 27667 1 756 . 1 1 138 138 HIS N N 15 113.879 0.000 . . . . . . . 138 H N . 27667 1 757 . 1 1 139 139 GLY H H 1 8.347 0.000 . . . . . . . 139 G H . 27667 1 758 . 1 1 139 139 GLY HA2 H 1 4.168 0.000 . . . . . . . 139 G HA2 . 27667 1 759 . 1 1 139 139 GLY HA3 H 1 3.967 0.000 . . . . . . . 139 G HA3 . 27667 1 760 . 1 1 139 139 GLY CA C 13 42.671 0.000 . . . . . . . 139 G CA . 27667 1 761 . 1 1 139 139 GLY N N 15 108.570 0.000 . . . . . . . 139 G N . 27667 1 762 . 1 1 140 140 GLY H H 1 7.994 0.000 . . . . . . . 140 G H . 27667 1 763 . 1 1 140 140 GLY HA2 H 1 4.208 0.000 . . . . . . . 140 G HA2 . 27667 1 764 . 1 1 140 140 GLY HA3 H 1 3.900 0.000 . . . . . . . 140 G HA3 . 27667 1 765 . 1 1 140 140 GLY CA C 13 42.074 0.000 . . . . . . . 140 G CA . 27667 1 766 . 1 1 140 140 GLY N N 15 105.767 0.000 . . . . . . . 140 G N . 27667 1 767 . 1 1 141 141 ARG H H 1 9.230 0.000 . . . . . . . 141 R H . 27667 1 768 . 1 1 141 141 ARG HA H 1 4.195 0.000 . . . . . . . 141 R HA . 27667 1 769 . 1 1 141 141 ARG HB2 H 1 1.894 0.000 . . . . . . . 141 R HB2 . 27667 1 770 . 1 1 141 141 ARG HB3 H 1 1.809 0.000 . . . . . . . 141 R HB3 . 27667 1 771 . 1 1 141 141 ARG CA C 13 52.164 0.000 . . . . . . . 141 R CA . 27667 1 772 . 1 1 141 141 ARG CB C 13 32.535 0.000 . . . . . . . 141 R CB . 27667 1 773 . 1 1 141 141 ARG CG C 13 24.777 0.000 . . . . . . . 141 R CG . 27667 1 774 . 1 1 141 141 ARG N N 15 116.571 0.000 . . . . . . . 141 R N . 27667 1 775 . 1 1 142 142 ILE H H 1 8.903 0.000 . . . . . . . 142 I H . 27667 1 776 . 1 1 142 142 ILE HA H 1 4.946 0.000 . . . . . . . 142 I HA . 27667 1 777 . 1 1 142 142 ILE HB H 1 1.955 0.000 . . . . . . . 142 I HB . 27667 1 778 . 1 1 142 142 ILE CA C 13 54.940 0.000 . . . . . . . 142 I CA . 27667 1 779 . 1 1 142 142 ILE CB C 13 39.838 0.000 . . . . . . . 142 I CB . 27667 1 780 . 1 1 142 142 ILE N N 15 119.678 0.000 . . . . . . . 142 I N . 27667 1 781 . 1 1 143 143 TRP H H 1 9.115 0.000 . . . . . . . 143 W H . 27667 1 782 . 1 1 143 143 TRP HA H 1 4.973 0.000 . . . . . . . 143 W HA . 27667 1 783 . 1 1 143 143 TRP HB2 H 1 3.377 0.000 . . . . . . . 143 W HB2 . 27667 1 784 . 1 1 143 143 TRP HB3 H 1 3.283 0.000 . . . . . . . 143 W HB3 . 27667 1 785 . 1 1 143 143 TRP CA C 13 54.636 0.000 . . . . . . . 143 W CA . 27667 1 786 . 1 1 143 143 TRP CB C 13 28.356 0.000 . . . . . . . 143 W CB . 27667 1 787 . 1 1 143 143 TRP N N 15 126.508 0.000 . . . . . . . 143 W N . 27667 1 788 . 1 1 144 144 VAL H H 1 8.573 0.000 . . . . . . . 144 V H . 27667 1 789 . 1 1 144 144 VAL CA C 13 56.105 0.000 . . . . . . . 144 V CA . 27667 1 790 . 1 1 144 144 VAL CB C 13 33.614 0.000 . . . . . . . 144 V CB . 27667 1 791 . 1 1 144 144 VAL N N 15 117.596 0.000 . . . . . . . 144 V N . 27667 1 792 . 1 1 145 145 GLU H H 1 8.851 0.000 . . . . . . . 145 E H . 27667 1 793 . 1 1 145 145 GLU HA H 1 4.316 0.000 . . . . . . . 145 E HA . 27667 1 794 . 1 1 145 145 GLU HB2 H 1 1.942 0.000 . . . . . . . 145 E HB2 . 27667 1 795 . 1 1 145 145 GLU HB3 H 1 1.909 0.000 . . . . . . . 145 E HB3 . 27667 1 796 . 1 1 145 145 GLU CA C 13 52.045 0.000 . . . . . . . 145 E CA . 27667 1 797 . 1 1 145 145 GLU CB C 13 29.879 0.000 . . . . . . . 145 E CB . 27667 1 798 . 1 1 145 145 GLU N N 15 125.664 0.000 . . . . . . . 145 E N . 27667 1 799 . 1 1 147 147 GLU H H 1 7.964 0.000 . . . . . . . 147 E H . 27667 1 800 . 1 1 147 147 GLU HA H 1 4.839 0.000 . . . . . . . 147 E HA . 27667 1 801 . 1 1 147 147 GLU HB2 H 1 1.801 0.000 . . . . . . . 147 E HB2 . 27667 1 802 . 1 1 147 147 GLU HB3 H 1 1.736 0.000 . . . . . . . 147 E HB3 . 27667 1 803 . 1 1 147 147 GLU CA C 13 52.343 0.000 . . . . . . . 147 E CA . 27667 1 804 . 1 1 147 147 GLU CB C 13 30.294 0.000 . . . . . . . 147 E CB . 27667 1 805 . 1 1 147 147 GLU CG C 13 32.993 0.000 . . . . . . . 147 E CG . 27667 1 806 . 1 1 147 147 GLU N N 15 124.692 0.000 . . . . . . . 147 E N . 27667 1 807 . 1 1 148 148 VAL H H 1 8.862 0.000 . . . . . . . 148 V H . 27667 1 808 . 1 1 148 148 VAL CA C 13 62.374 0.000 . . . . . . . 148 V CA . 27667 1 809 . 1 1 148 148 VAL CB C 13 28.468 0.000 . . . . . . . 148 V CB . 27667 1 810 . 1 1 148 148 VAL N N 15 128.217 0.000 . . . . . . . 148 V N . 27667 1 811 . 1 1 149 149 GLY H H 1 8.685 0.000 . . . . . . . 149 G H . 27667 1 812 . 1 1 149 149 GLY HA2 H 1 4.208 0.000 . . . . . . . 149 G HA2 . 27667 1 813 . 1 1 149 149 GLY HA3 H 1 3.752 0.000 . . . . . . . 149 G HA3 . 27667 1 814 . 1 1 149 149 GLY CA C 13 42.522 0.000 . . . . . . . 149 G CA . 27667 1 815 . 1 1 149 149 GLY N N 15 115.424 0.000 . . . . . . . 149 G N . 27667 1 816 . 1 1 150 150 LYS H H 1 8.026 0.000 . . . . . . . 150 K H . 27667 1 817 . 1 1 150 150 LYS HA H 1 4.517 0.000 . . . . . . . 150 K HA . 27667 1 818 . 1 1 150 150 LYS HB2 H 1 1.775 0.000 . . . . . . . 150 K HB2 . 27667 1 819 . 1 1 150 150 LYS HB3 H 1 1.572 0.000 . . . . . . . 150 K HB3 . 27667 1 820 . 1 1 150 150 LYS CA C 13 53.687 0.000 . . . . . . . 150 K CA . 27667 1 821 . 1 1 150 150 LYS CB C 13 31.705 0.000 . . . . . . . 150 K CB . 27667 1 822 . 1 1 150 150 LYS CG C 13 21.910 0.000 . . . . . . . 150 K CG . 27667 1 823 . 1 1 150 150 LYS CD C 13 25.862 0.000 . . . . . . . 150 K CD . 27667 1 824 . 1 1 150 150 LYS N N 15 121.655 0.000 . . . . . . . 150 K N . 27667 1 825 . 1 1 151 151 GLY H H 1 7.291 0.000 . . . . . . . 151 G H . 27667 1 826 . 1 1 151 151 GLY HA2 H 1 3.833 0.000 . . . . . . . 151 G HA2 . 27667 1 827 . 1 1 151 151 GLY CA C 13 41.626 0.000 . . . . . . . 151 G CA . 27667 1 828 . 1 1 151 151 GLY N N 15 104.146 0.000 . . . . . . . 151 G N . 27667 1 829 . 1 1 152 152 SER H H 1 7.666 0.000 . . . . . . . 152 S H . 27667 1 830 . 1 1 152 152 SER HA H 1 4.745 0.000 . . . . . . . 152 S HA . 27667 1 831 . 1 1 152 152 SER HB2 H 1 4.005 0.000 . . . . . . . 152 S HB2 . 27667 1 832 . 1 1 152 152 SER HB3 H 1 3.953 0.000 . . . . . . . 152 S HB3 . 27667 1 833 . 1 1 152 152 SER CA C 13 54.881 0.000 . . . . . . . 152 S CA . 27667 1 834 . 1 1 152 152 SER CB C 13 64.284 0.000 . . . . . . . 152 S CB . 27667 1 835 . 1 1 152 152 SER N N 15 114.425 0.000 . . . . . . . 152 S N . 27667 1 836 . 1 1 153 153 ARG H H 1 8.909 0.000 . . . . . . . 153 R H . 27667 1 837 . 1 1 153 153 ARG CA C 13 53.000 0.000 . . . . . . . 153 R CA . 27667 1 838 . 1 1 153 153 ARG CB C 13 31.124 0.000 . . . . . . . 153 R CB . 27667 1 839 . 1 1 153 153 ARG N N 15 121.654 0.000 . . . . . . . 153 R N . 27667 1 840 . 1 1 154 154 PHE H H 1 8.826 0.000 . . . . . . . 154 F H . 27667 1 841 . 1 1 154 154 PHE HA H 1 4.732 0.000 . . . . . . . 154 F HA . 27667 1 842 . 1 1 154 154 PHE HB2 H 1 2.827 0.000 . . . . . . . 154 F HB2 . 27667 1 843 . 1 1 154 154 PHE HB3 H 1 2.790 0.000 . . . . . . . 154 F HB3 . 27667 1 844 . 1 1 154 154 PHE CA C 13 54.672 0.000 . . . . . . . 154 F CA . 27667 1 845 . 1 1 154 154 PHE CB C 13 39.589 0.000 . . . . . . . 154 F CB . 27667 1 846 . 1 1 154 154 PHE N N 15 122.661 0.000 . . . . . . . 154 F N . 27667 1 847 . 1 1 155 155 PHE H H 1 8.801 0.000 . . . . . . . 155 F H . 27667 1 848 . 1 1 155 155 PHE HA H 1 4.664 0.000 . . . . . . . 155 F HA . 27667 1 849 . 1 1 155 155 PHE CA C 13 53.597 0.000 . . . . . . . 155 F CA . 27667 1 850 . 1 1 155 155 PHE CB C 13 36.187 0.000 . . . . . . . 155 F CB . 27667 1 851 . 1 1 155 155 PHE N N 15 121.327 0.000 . . . . . . . 155 F N . 27667 1 852 . 1 1 156 156 VAL H H 1 9.153 0.000 . . . . . . . 156 V H . 27667 1 853 . 1 1 156 156 VAL HA H 1 4.369 0.000 . . . . . . . 156 V HA . 27667 1 854 . 1 1 156 156 VAL HB H 1 1.902 0.000 . . . . . . . 156 V HB . 27667 1 855 . 1 1 156 156 VAL HG11 H 1 1.097 0.000 . . . . . . . 156 V HG1 . 27667 1 856 . 1 1 156 156 VAL HG12 H 1 1.097 0.000 . . . . . . . 156 V HG1 . 27667 1 857 . 1 1 156 156 VAL HG13 H 1 1.097 0.000 . . . . . . . 156 V HG1 . 27667 1 858 . 1 1 156 156 VAL HG21 H 1 1.030 0.000 . . . . . . . 156 V HG2 . 27667 1 859 . 1 1 156 156 VAL HG22 H 1 1.030 0.000 . . . . . . . 156 V HG2 . 27667 1 860 . 1 1 156 156 VAL HG23 H 1 1.030 0.000 . . . . . . . 156 V HG2 . 27667 1 861 . 1 1 156 156 VAL CA C 13 58.224 0.000 . . . . . . . 156 V CA . 27667 1 862 . 1 1 156 156 VAL CB C 13 31.622 0.000 . . . . . . . 156 V CB . 27667 1 863 . 1 1 156 156 VAL N N 15 120.301 0.000 . . . . . . . 156 V N . 27667 1 864 . 1 1 157 157 TRP H H 1 9.382 0.000 . . . . . . . 157 W H . 27667 1 865 . 1 1 157 157 TRP HA H 1 4.504 0.000 . . . . . . . 157 W HA . 27667 1 866 . 1 1 157 157 TRP HB2 H 1 3.431 0.000 . . . . . . . 157 W HB2 . 27667 1 867 . 1 1 157 157 TRP HB3 H 1 3.126 0.000 . . . . . . . 157 W HB3 . 27667 1 868 . 1 1 157 157 TRP CA C 13 53.448 0.000 . . . . . . . 157 W CA . 27667 1 869 . 1 1 157 157 TRP CB C 13 29.301 0.000 . . . . . . . 157 W CB . 27667 1 870 . 1 1 157 157 TRP N N 15 128.696 0.000 . . . . . . . 157 W N . 27667 1 871 . 1 1 158 158 ILE H H 1 8.234 0.000 . . . . . . . 158 I H . 27667 1 872 . 1 1 158 158 ILE HA H 1 4.235 0.000 . . . . . . . 158 I HA . 27667 1 873 . 1 1 158 158 ILE CA C 13 54.015 0.000 . . . . . . . 158 I CA . 27667 1 874 . 1 1 158 158 ILE CB C 13 39.105 0.000 . . . . . . . 158 I CB . 27667 1 875 . 1 1 158 158 ILE N N 15 123.326 0.000 . . . . . . . 158 I N . 27667 1 876 . 1 1 160 160 LYS H H 1 8.311 0.000 . . . . . . . 160 K H . 27667 1 877 . 1 1 160 160 LYS HA H 1 4.369 0.000 . . . . . . . 160 K HA . 27667 1 878 . 1 1 160 160 LYS HB2 H 1 1.607 0.000 . . . . . . . 160 K HB2 . 27667 1 879 . 1 1 160 160 LYS HB3 H 1 1.684 0.000 . . . . . . . 160 K HB3 . 27667 1 880 . 1 1 160 160 LYS CA C 13 55.448 0.000 . . . . . . . 160 K CA . 27667 1 881 . 1 1 160 160 LYS CB C 13 30.958 0.000 . . . . . . . 160 K CB . 27667 1 882 . 1 1 160 160 LYS CG C 13 23.382 0.000 . . . . . . . 160 K CG . 27667 1 883 . 1 1 160 160 LYS CD C 13 26.560 0.000 . . . . . . . 160 K CD . 27667 1 884 . 1 1 160 160 LYS N N 15 119.969 0.000 . . . . . . . 160 K N . 27667 1 885 . 1 1 161 161 ASP H H 1 8.072 0.000 . . . . . . . 161 D H . 27667 1 886 . 1 1 161 161 ASP HA H 1 4.638 0.000 . . . . . . . 161 D HA . 27667 1 887 . 1 1 161 161 ASP HB2 H 1 2.592 0.000 . . . . . . . 161 D HB2 . 27667 1 888 . 1 1 161 161 ASP HB3 H 1 2.525 0.000 . . . . . . . 161 D HB3 . 27667 1 889 . 1 1 161 161 ASP CA C 13 50.821 0.000 . . . . . . . 161 D CA . 27667 1 890 . 1 1 161 161 ASP CB C 13 39.672 0.000 . . . . . . . 161 D CB . 27667 1 891 . 1 1 161 161 ASP N N 15 118.302 0.000 . . . . . . . 161 D N . 27667 1 892 . 1 1 162 162 ARG H H 1 8.537 0.000 . . . . . . . 162 R H . 27667 1 893 . 1 1 162 162 ARG CA C 13 53.388 0.000 . . . . . . . 162 R CA . 27667 1 894 . 1 1 162 162 ARG CB C 13 27.888 0.000 . . . . . . . 162 R CB . 27667 1 895 . 1 1 162 162 ARG CG C 13 23.847 0.000 . . . . . . . 162 R CG . 27667 1 896 . 1 1 162 162 ARG CD C 13 40.511 0.000 . . . . . . . 162 R CD . 27667 1 897 . 1 1 162 162 ARG N N 15 121.011 0.000 . . . . . . . 162 R N . 27667 1 898 . 1 1 163 163 ALA H H 1 8.335 0.000 . . . . . . . 163 A H . 27667 1 899 . 1 1 163 163 ALA HA H 1 4.128 0.000 . . . . . . . 163 A HA . 27667 1 900 . 1 1 163 163 ALA HB1 H 1 1.298 0.000 . . . . . . . 163 A HB . 27667 1 901 . 1 1 163 163 ALA HB2 H 1 1.298 0.000 . . . . . . . 163 A HB . 27667 1 902 . 1 1 163 163 ALA HB3 H 1 1.298 0.000 . . . . . . . 163 A HB . 27667 1 903 . 1 1 163 163 ALA CA C 13 49.985 0.000 . . . . . . . 163 A CA . 27667 1 904 . 1 1 163 163 ALA CB C 13 16.435 0.000 . . . . . . . 163 A CB . 27667 1 905 . 1 1 163 163 ALA N N 15 125.868 0.000 . . . . . . . 163 A N . 27667 1 906 . 1 1 164 164 GLY H H 1 8.311 0.000 . . . . . . . 164 G H . 27667 1 907 . 1 1 164 164 GLY HA2 H 1 4.155 0.000 . . . . . . . 164 G HA2 . 27667 1 908 . 1 1 164 164 GLY HA3 H 1 3.806 0.000 . . . . . . . 164 G HA3 . 27667 1 909 . 1 1 164 164 GLY CA C 13 42.581 0.000 . . . . . . . 164 G CA . 27667 1 910 . 1 1 164 164 GLY N N 15 108.267 0.000 . . . . . . . 164 G N . 27667 1 911 . 1 1 165 165 GLU H H 1 8.196 0.000 . . . . . . . 165 E H . 27667 1 912 . 1 1 165 165 GLU HA H 1 4.168 0.000 . . . . . . . 165 E HA . 27667 1 913 . 1 1 165 165 GLU HB2 H 1 2.068 0.000 . . . . . . . 165 E HB2 . 27667 1 914 . 1 1 165 165 GLU HB3 H 1 1.821 0.000 . . . . . . . 165 E HB3 . 27667 1 915 . 1 1 165 165 GLU CA C 13 53.896 0.000 . . . . . . . 165 E CA . 27667 1 916 . 1 1 165 165 GLU CB C 13 27.639 0.000 . . . . . . . 165 E CB . 27667 1 917 . 1 1 165 165 GLU CG C 13 33.148 0.000 . . . . . . . 165 E CG . 27667 1 918 . 1 1 165 165 GLU N N 15 120.265 0.000 . . . . . . . 165 E N . 27667 1 919 . 1 1 166 166 ASP H H 1 8.361 0.000 . . . . . . . 166 D H . 27667 1 920 . 1 1 166 166 ASP HA H 1 4.638 0.000 . . . . . . . 166 D HA . 27667 1 921 . 1 1 166 166 ASP HB2 H 1 2.604 0.000 . . . . . . . 166 D HB2 . 27667 1 922 . 1 1 166 166 ASP HB3 H 1 2.533 0.000 . . . . . . . 166 D HB3 . 27667 1 923 . 1 1 166 166 ASP CA C 13 51.597 0.000 . . . . . . . 166 D CA . 27667 1 924 . 1 1 166 166 ASP CB C 13 38.261 0.000 . . . . . . . 166 D CB . 27667 1 925 . 1 1 166 166 ASP N N 15 120.720 0.000 . . . . . . . 166 D N . 27667 1 926 . 1 1 167 167 ASN H H 1 8.289 0.000 . . . . . . . 167 N H . 27667 1 927 . 1 1 167 167 ASN HA H 1 4.638 0.000 . . . . . . . 167 N HA . 27667 1 928 . 1 1 167 167 ASN HB2 H 1 2.653 0.000 . . . . . . . 167 N HB2 . 27667 1 929 . 1 1 167 167 ASN HB3 H 1 2.606 0.000 . . . . . . . 167 N HB3 . 27667 1 930 . 1 1 167 167 ASN CA C 13 50.375 0.000 . . . . . . . 167 N CA . 27667 1 931 . 1 1 167 167 ASN CB C 13 35.977 0.000 . . . . . . . 167 N CB . 27667 1 932 . 1 1 167 167 ASN N N 15 119.220 0.000 . . . . . . . 167 N N . 27667 1 933 . 1 1 168 168 ARG H H 1 8.177 0.000 . . . . . . . 168 R H . 27667 1 934 . 1 1 168 168 ARG HA H 1 4.235 0.000 . . . . . . . 168 R HA . 27667 1 935 . 1 1 168 168 ARG HB2 H 1 1.663 0.000 . . . . . . . 168 R HB2 . 27667 1 936 . 1 1 168 168 ARG HB3 H 1 1.563 0.000 . . . . . . . 168 R HB3 . 27667 1 937 . 1 1 168 168 ARG CA C 13 53.716 0.000 . . . . . . . 168 R CA . 27667 1 938 . 1 1 168 168 ARG CB C 13 27.805 0.000 . . . . . . . 168 R CB . 27667 1 939 . 1 1 168 168 ARG CG C 13 24.080 0.000 . . . . . . . 168 R CG . 27667 1 940 . 1 1 168 168 ARG CD C 13 40.589 0.000 . . . . . . . 168 R CD . 27667 1 941 . 1 1 168 168 ARG N N 15 121.173 0.000 . . . . . . . 168 R N . 27667 1 942 . 1 1 169 169 GLN H H 1 8.386 0.000 . . . . . . . 169 Q H . 27667 1 943 . 1 1 169 169 GLN CA C 13 52.940 0.000 . . . . . . . 169 Q CA . 27667 1 944 . 1 1 169 169 GLN CB C 13 26.643 0.000 . . . . . . . 169 Q CB . 27667 1 945 . 1 1 169 169 GLN CG C 13 30.668 0.000 . . . . . . . 169 Q CG . 27667 1 946 . 1 1 169 169 GLN N N 15 121.000 0.000 . . . . . . . 169 Q N . 27667 1 947 . 1 1 170 170 ASP H H 1 8.333 0.000 . . . . . . . 170 D H . 27667 1 948 . 1 1 170 170 ASP HA H 1 4.705 0.000 . . . . . . . 170 D HA . 27667 1 949 . 1 1 170 170 ASP HB2 H 1 2.735 0.000 . . . . . . . 170 D HB2 . 27667 1 950 . 1 1 170 170 ASP HB3 H 1 2.532 0.000 . . . . . . . 170 D HB3 . 27667 1 951 . 1 1 170 170 ASP CA C 13 51.572 0.000 . . . . . . . 170 D CA . 27667 1 952 . 1 1 170 170 ASP CB C 13 38.344 0.000 . . . . . . . 170 D CB . 27667 1 953 . 1 1 170 170 ASP N N 15 121.733 0.000 . . . . . . . 170 D N . 27667 1 954 . 1 1 171 171 ASN H H 1 7.895 0.000 . . . . . . . 171 N H . 27667 1 955 . 1 1 171 171 ASN HA H 1 4.544 0.000 . . . . . . . 171 N HA . 27667 1 956 . 1 1 171 171 ASN CA C 13 52.045 0.000 . . . . . . . 171 N CA . 27667 1 957 . 1 1 171 171 ASN CB C 13 37.763 0.000 . . . . . . . 171 N CB . 27667 1 958 . 1 1 171 171 ASN N N 15 123.895 0.000 . . . . . . . 171 N N . 27667 1 stop_ save_