data_27231 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27231 _Entry.Title ; Backbone assignments of the full length Dengue Virus NS4A protein in micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-23 _Entry.Accession_date 2017-08-23 _Entry.Last_release_date 2017-08-24 _Entry.Original_release_date 2017-08-24 _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 . 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 Yan Li . . . . 27231 2 'Michelle Yueqi' Lee . . . . 27231 3 CongBao Kang . . . . 27231 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27231 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 27231 '15N chemical shifts' 117 27231 '1H chemical shifts' 117 27231 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 . . 2017-11-16 2017-08-23 update author 'update assignments and entry citation' 27231 1 . . 2017-11-03 2017-08-23 original author 'original release' 27231 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27231 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29055659 _Citation.Full_citation . _Citation.Title ; Secondary structure and membrane topology of dengue virus NS4A protein in micelles ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume S0005-2736 _Citation.Journal_issue 17 _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 30334 _Citation.Page_last 30336 _Citation.Year 2017 _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 Yan Li . . . . 27231 1 2 'Michelle Yueqi' Lee . . . . 27231 1 3 'Ying Ru' Loh . . . . 27231 1 4 CongBao Kang . . . . 27231 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 27231 1 NS4A 27231 1 'dengue virus' 27231 1 'membrane protein' 27231 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27231 _Assembly.ID 1 _Assembly.Name 'full length Dengue NS4A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'full length Dengue NS4A' 1 $full_length_Dengue_NS4A A . yes native no no . . . 27231 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_full_length_Dengue_NS4A _Entity.Sf_category entity _Entity.Sf_framecode full_length_Dengue_NS4A _Entity.Entry_ID 27231 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name full_length_Dengue_NS4A _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 ; MSITLDILTEIASLPTYLSS RAKLALDNIVMLHTTERGGR AYQHALNELPESLETLMLVA LLGAMTAGIFLFFMQGKGIG KLSMGLITIAVASGLLWVAE IQPQWIAASIILEFFLMVLL IPEPEKQRLEHHHHHH ; _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 0 MET . 27231 1 2 1 SER . 27231 1 3 2 ILE . 27231 1 4 3 THR . 27231 1 5 4 LEU . 27231 1 6 5 ASP . 27231 1 7 6 ILE . 27231 1 8 7 LEU . 27231 1 9 8 THR . 27231 1 10 9 GLU . 27231 1 11 10 ILE . 27231 1 12 11 ALA . 27231 1 13 12 SER . 27231 1 14 13 LEU . 27231 1 15 14 PRO . 27231 1 16 15 THR . 27231 1 17 16 TYR . 27231 1 18 17 LEU . 27231 1 19 18 SER . 27231 1 20 19 SER . 27231 1 21 20 ARG . 27231 1 22 21 ALA . 27231 1 23 22 LYS . 27231 1 24 23 LEU . 27231 1 25 24 ALA . 27231 1 26 25 LEU . 27231 1 27 26 ASP . 27231 1 28 27 ASN . 27231 1 29 28 ILE . 27231 1 30 29 VAL . 27231 1 31 30 MET . 27231 1 32 31 LEU . 27231 1 33 32 HIS . 27231 1 34 33 THR . 27231 1 35 34 THR . 27231 1 36 35 GLU . 27231 1 37 36 ARG . 27231 1 38 37 GLY . 27231 1 39 38 GLY . 27231 1 40 39 ARG . 27231 1 41 40 ALA . 27231 1 42 41 TYR . 27231 1 43 42 GLN . 27231 1 44 43 HIS . 27231 1 45 44 ALA . 27231 1 46 45 LEU . 27231 1 47 46 ASN . 27231 1 48 47 GLU . 27231 1 49 48 LEU . 27231 1 50 49 PRO . 27231 1 51 50 GLU . 27231 1 52 51 SER . 27231 1 53 52 LEU . 27231 1 54 53 GLU . 27231 1 55 54 THR . 27231 1 56 55 LEU . 27231 1 57 56 MET . 27231 1 58 57 LEU . 27231 1 59 58 VAL . 27231 1 60 59 ALA . 27231 1 61 60 LEU . 27231 1 62 61 LEU . 27231 1 63 62 GLY . 27231 1 64 63 ALA . 27231 1 65 64 MET . 27231 1 66 65 THR . 27231 1 67 66 ALA . 27231 1 68 67 GLY . 27231 1 69 68 ILE . 27231 1 70 69 PHE . 27231 1 71 70 LEU . 27231 1 72 71 PHE . 27231 1 73 72 PHE . 27231 1 74 73 MET . 27231 1 75 74 GLN . 27231 1 76 75 GLY . 27231 1 77 76 LYS . 27231 1 78 77 GLY . 27231 1 79 78 ILE . 27231 1 80 79 GLY . 27231 1 81 80 LYS . 27231 1 82 81 LEU . 27231 1 83 82 SER . 27231 1 84 83 MET . 27231 1 85 84 GLY . 27231 1 86 85 LEU . 27231 1 87 86 ILE . 27231 1 88 87 THR . 27231 1 89 88 ILE . 27231 1 90 89 ALA . 27231 1 91 90 VAL . 27231 1 92 91 ALA . 27231 1 93 92 SER . 27231 1 94 93 GLY . 27231 1 95 94 LEU . 27231 1 96 95 LEU . 27231 1 97 96 TRP . 27231 1 98 97 VAL . 27231 1 99 98 ALA . 27231 1 100 99 GLU . 27231 1 101 100 ILE . 27231 1 102 101 GLN . 27231 1 103 102 PRO . 27231 1 104 103 GLN . 27231 1 105 104 TRP . 27231 1 106 105 ILE . 27231 1 107 106 ALA . 27231 1 108 107 ALA . 27231 1 109 108 SER . 27231 1 110 109 ILE . 27231 1 111 110 ILE . 27231 1 112 111 LEU . 27231 1 113 112 GLU . 27231 1 114 113 PHE . 27231 1 115 114 PHE . 27231 1 116 115 LEU . 27231 1 117 116 MET . 27231 1 118 117 VAL . 27231 1 119 118 LEU . 27231 1 120 119 LEU . 27231 1 121 120 ILE . 27231 1 122 121 PRO . 27231 1 123 122 GLU . 27231 1 124 123 PRO . 27231 1 125 124 GLU . 27231 1 126 125 LYS . 27231 1 127 126 GLN . 27231 1 128 127 ARG . 27231 1 129 128 LEU . 27231 1 130 129 GLU . 27231 1 131 130 HIS . 27231 1 132 131 HIS . 27231 1 133 132 HIS . 27231 1 134 133 HIS . 27231 1 135 134 HIS . 27231 1 136 135 HIS . 27231 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 . MET 1 1 27231 1 . SER 2 2 27231 1 . ILE 3 3 27231 1 . THR 4 4 27231 1 . LEU 5 5 27231 1 . ASP 6 6 27231 1 . ILE 7 7 27231 1 . LEU 8 8 27231 1 . THR 9 9 27231 1 . GLU 10 10 27231 1 . ILE 11 11 27231 1 . ALA 12 12 27231 1 . SER 13 13 27231 1 . LEU 14 14 27231 1 . PRO 15 15 27231 1 . THR 16 16 27231 1 . TYR 17 17 27231 1 . LEU 18 18 27231 1 . SER 19 19 27231 1 . SER 20 20 27231 1 . ARG 21 21 27231 1 . ALA 22 22 27231 1 . LYS 23 23 27231 1 . LEU 24 24 27231 1 . ALA 25 25 27231 1 . LEU 26 26 27231 1 . ASP 27 27 27231 1 . ASN 28 28 27231 1 . ILE 29 29 27231 1 . VAL 30 30 27231 1 . MET 31 31 27231 1 . LEU 32 32 27231 1 . HIS 33 33 27231 1 . THR 34 34 27231 1 . THR 35 35 27231 1 . GLU 36 36 27231 1 . ARG 37 37 27231 1 . GLY 38 38 27231 1 . GLY 39 39 27231 1 . ARG 40 40 27231 1 . ALA 41 41 27231 1 . TYR 42 42 27231 1 . GLN 43 43 27231 1 . HIS 44 44 27231 1 . ALA 45 45 27231 1 . LEU 46 46 27231 1 . ASN 47 47 27231 1 . GLU 48 48 27231 1 . LEU 49 49 27231 1 . PRO 50 50 27231 1 . GLU 51 51 27231 1 . SER 52 52 27231 1 . LEU 53 53 27231 1 . GLU 54 54 27231 1 . THR 55 55 27231 1 . LEU 56 56 27231 1 . MET 57 57 27231 1 . LEU 58 58 27231 1 . VAL 59 59 27231 1 . ALA 60 60 27231 1 . LEU 61 61 27231 1 . LEU 62 62 27231 1 . GLY 63 63 27231 1 . ALA 64 64 27231 1 . MET 65 65 27231 1 . THR 66 66 27231 1 . ALA 67 67 27231 1 . GLY 68 68 27231 1 . ILE 69 69 27231 1 . PHE 70 70 27231 1 . LEU 71 71 27231 1 . PHE 72 72 27231 1 . PHE 73 73 27231 1 . MET 74 74 27231 1 . GLN 75 75 27231 1 . GLY 76 76 27231 1 . LYS 77 77 27231 1 . GLY 78 78 27231 1 . ILE 79 79 27231 1 . GLY 80 80 27231 1 . LYS 81 81 27231 1 . LEU 82 82 27231 1 . SER 83 83 27231 1 . MET 84 84 27231 1 . GLY 85 85 27231 1 . LEU 86 86 27231 1 . ILE 87 87 27231 1 . THR 88 88 27231 1 . ILE 89 89 27231 1 . ALA 90 90 27231 1 . VAL 91 91 27231 1 . ALA 92 92 27231 1 . SER 93 93 27231 1 . GLY 94 94 27231 1 . LEU 95 95 27231 1 . LEU 96 96 27231 1 . TRP 97 97 27231 1 . VAL 98 98 27231 1 . ALA 99 99 27231 1 . GLU 100 100 27231 1 . ILE 101 101 27231 1 . GLN 102 102 27231 1 . PRO 103 103 27231 1 . GLN 104 104 27231 1 . TRP 105 105 27231 1 . ILE 106 106 27231 1 . ALA 107 107 27231 1 . ALA 108 108 27231 1 . SER 109 109 27231 1 . ILE 110 110 27231 1 . ILE 111 111 27231 1 . LEU 112 112 27231 1 . GLU 113 113 27231 1 . PHE 114 114 27231 1 . PHE 115 115 27231 1 . LEU 116 116 27231 1 . MET 117 117 27231 1 . VAL 118 118 27231 1 . LEU 119 119 27231 1 . LEU 120 120 27231 1 . ILE 121 121 27231 1 . PRO 122 122 27231 1 . GLU 123 123 27231 1 . PRO 124 124 27231 1 . GLU 125 125 27231 1 . LYS 126 126 27231 1 . GLN 127 127 27231 1 . ARG 128 128 27231 1 . LEU 129 129 27231 1 . GLU 130 130 27231 1 . HIS 131 131 27231 1 . HIS 132 132 27231 1 . HIS 133 133 27231 1 . HIS 134 134 27231 1 . HIS 135 135 27231 1 . HIS 136 136 27231 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 27231 _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 $full_length_Dengue_NS4A . 12637 organism . 'Dengue Virus' 'Dengue Virus' . . Viruses . Dengue Virus . . . . . . . . . . . . . 27231 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 27231 _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 $full_length_Dengue_NS4A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET29b . . . 27231 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27231 _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 full_length_Dengue_NS4A '[U-13C; U-15N; U-2H]' . . 1 $full_length_Dengue_NS4A . . 0.5 . . mM . . . . 27231 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27231 1 3 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 27231 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27231 1 5 'sodium chloride' 'natural abundance' . . . . . . 70 . . mM . . . . 27231 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 27231 _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' 90 . mM 27231 1 pH 6.5 . pH 27231 1 pressure 1 . atm 27231 1 temperature 313 . K 27231 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27231 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27231 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27231 1 'Johnson, One Moon Scientific' . . 27231 1 'Keller and Wuthrich' . . 27231 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27231 1 collection 27231 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 27231 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27231 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27231 _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 . . . 27231 1 2 spectrometer_2 Bruker Avance . 600 . . . 27231 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 27231 _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 . . . . . . . . . . . . . . . . . . . . . 27231 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27231 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27231 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27231 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27231 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27231 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27231 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 27231 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 27231 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal indirect 1 . . . . . 27231 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 27231 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 27231 _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 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 27231 1 2 '3D HNCACB' . . . 27231 1 3 '3D HN(CO)CACB' . . . 27231 1 4 '3D HNCA' . . . 27231 1 5 '3D HN(CO)CA' . . . 27231 1 6 '3D HNCO' . . . 27231 1 7 '3D 1H-15N NOESY' . . . 27231 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 27231 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 3 3 ILE C C 13 175.748 0.300 . 1 . . . . . 2 ILE C . 27231 1 2 . 1 1 3 3 ILE CA C 13 61.836 0.300 . 1 . . . . . 2 ILE CA . 27231 1 3 . 1 1 3 3 ILE CB C 13 37.225 0.300 . 1 . . . . . 2 ILE CB . 27231 1 4 . 1 1 4 4 THR H H 1 7.761 0.020 . 1 . . . . . 3 THR H . 27231 1 5 . 1 1 4 4 THR C C 13 175.208 0.300 . 1 . . . . . 3 THR C . 27231 1 6 . 1 1 4 4 THR CA C 13 62.953 0.300 . 1 . . . . . 3 THR CA . 27231 1 7 . 1 1 4 4 THR CB C 13 69.026 0.300 . 1 . . . . . 3 THR CB . 27231 1 8 . 1 1 4 4 THR N N 15 116.053 0.300 . 1 . . . . . 3 THR N . 27231 1 9 . 1 1 5 5 LEU H H 1 8.053 0.020 . 1 . . . . . 4 LEU H . 27231 1 10 . 1 1 5 5 LEU C C 13 178.496 0.300 . 1 . . . . . 4 LEU C . 27231 1 11 . 1 1 5 5 LEU CA C 13 56.472 0.300 . 1 . . . . . 4 LEU CA . 27231 1 12 . 1 1 5 5 LEU CB C 13 40.253 0.300 . 1 . . . . . 4 LEU CB . 27231 1 13 . 1 1 5 5 LEU N N 15 121.172 0.300 . 1 . . . . . 4 LEU N . 27231 1 14 . 1 1 6 6 ASP H H 1 8.188 0.020 . 1 . . . . . 5 ASP H . 27231 1 15 . 1 1 6 6 ASP C C 13 178.341 0.300 . 1 . . . . . 5 ASP C . 27231 1 16 . 1 1 6 6 ASP CA C 13 56.379 0.300 . 1 . . . . . 5 ASP CA . 27231 1 17 . 1 1 6 6 ASP CB C 13 39.342 0.300 . 1 . . . . . 5 ASP CB . 27231 1 18 . 1 1 6 6 ASP N N 15 121.216 0.300 . 1 . . . . . 5 ASP N . 27231 1 19 . 1 1 7 7 ILE H H 1 7.947 0.020 . 1 . . . . . 6 ILE H . 27231 1 20 . 1 1 7 7 ILE C C 13 177.189 0.300 . 1 . . . . . 6 ILE C . 27231 1 21 . 1 1 7 7 ILE CA C 13 63.489 0.300 . 1 . . . . . 6 ILE CA . 27231 1 22 . 1 1 7 7 ILE CB C 13 36.910 0.300 . 1 . . . . . 6 ILE CB . 27231 1 23 . 1 1 7 7 ILE N N 15 119.981 0.300 . 1 . . . . . 6 ILE N . 27231 1 24 . 1 1 8 8 LEU H H 1 7.858 0.020 . 1 . . . . . 7 LEU H . 27231 1 25 . 1 1 8 8 LEU C C 13 178.508 0.300 . 1 . . . . . 7 LEU C . 27231 1 26 . 1 1 8 8 LEU CA C 13 57.293 0.300 . 1 . . . . . 7 LEU CA . 27231 1 27 . 1 1 8 8 LEU CB C 13 40.328 0.300 . 1 . . . . . 7 LEU CB . 27231 1 28 . 1 1 8 8 LEU N N 15 119.494 0.300 . 1 . . . . . 7 LEU N . 27231 1 29 . 1 1 9 9 THR H H 1 7.893 0.020 . 1 . . . . . 8 THR H . 27231 1 30 . 1 1 9 9 THR C C 13 176.433 0.300 . 1 . . . . . 8 THR C . 27231 1 31 . 1 1 9 9 THR CA C 13 65.536 0.300 . 1 . . . . . 8 THR CA . 27231 1 32 . 1 1 9 9 THR CB C 13 68.125 0.300 . 1 . . . . . 8 THR CB . 27231 1 33 . 1 1 9 9 THR N N 15 113.108 0.300 . 1 . . . . . 8 THR N . 27231 1 34 . 1 1 10 10 GLU H H 1 7.612 0.020 . 1 . . . . . 9 GLU H . 27231 1 35 . 1 1 10 10 GLU C C 13 178.971 0.300 . 1 . . . . . 9 GLU C . 27231 1 36 . 1 1 10 10 GLU CA C 13 57.647 0.300 . 1 . . . . . 9 GLU CA . 27231 1 37 . 1 1 10 10 GLU CB C 13 28.182 0.300 . 1 . . . . . 9 GLU CB . 27231 1 38 . 1 1 10 10 GLU N N 15 121.121 0.300 . 1 . . . . . 9 GLU N . 27231 1 39 . 1 1 11 11 ILE H H 1 7.895 0.020 . 1 . . . . . 10 ILE H . 27231 1 40 . 1 1 11 11 ILE C C 13 176.794 0.300 . 1 . . . . . 10 ILE C . 27231 1 41 . 1 1 11 11 ILE CA C 13 63.554 0.300 . 1 . . . . . 10 ILE CA . 27231 1 42 . 1 1 11 11 ILE CB C 13 36.709 0.300 . 1 . . . . . 10 ILE CB . 27231 1 43 . 1 1 11 11 ILE N N 15 118.518 0.300 . 1 . . . . . 10 ILE N . 27231 1 44 . 1 1 12 12 ALA H H 1 7.871 0.020 . 1 . . . . . 11 ALA H . 27231 1 45 . 1 1 12 12 ALA C C 13 177.764 0.300 . 1 . . . . . 11 ALA C . 27231 1 46 . 1 1 12 12 ALA CA C 13 53.574 0.300 . 1 . . . . . 11 ALA CA . 27231 1 47 . 1 1 12 12 ALA CB C 13 17.716 0.300 . 1 . . . . . 11 ALA CB . 27231 1 48 . 1 1 12 12 ALA N N 15 120.801 0.300 . 1 . . . . . 11 ALA N . 27231 1 49 . 1 1 13 13 SER H H 1 7.566 0.020 . 1 . . . . . 12 SER H . 27231 1 50 . 1 1 13 13 SER C C 13 174.877 0.300 . 1 . . . . . 12 SER C . 27231 1 51 . 1 1 13 13 SER CA C 13 58.566 0.300 . 1 . . . . . 12 SER CA . 27231 1 52 . 1 1 13 13 SER CB C 13 63.692 0.300 . 1 . . . . . 12 SER CB . 27231 1 53 . 1 1 13 13 SER N N 15 111.355 0.300 . 1 . . . . . 12 SER N . 27231 1 54 . 1 1 14 14 LEU H H 1 7.883 0.020 . 1 . . . . . 13 LEU H . 27231 1 55 . 1 1 14 14 LEU CA C 13 57.376 0.300 . 1 . . . . . 13 LEU CA . 27231 1 56 . 1 1 14 14 LEU N N 15 123.246 0.300 . 1 . . . . . 13 LEU N . 27231 1 57 . 1 1 15 15 PRO C C 13 177.920 0.300 . 1 . . . . . 14 PRO C . 27231 1 58 . 1 1 16 16 THR H H 1 7.735 0.020 . 1 . . . . . 15 THR H . 27231 1 59 . 1 1 16 16 THR CA C 13 64.596 0.300 . 1 . . . . . 15 THR CA . 27231 1 60 . 1 1 16 16 THR N N 15 113.376 0.300 . 1 . . . . . 15 THR N . 27231 1 61 . 1 1 17 17 TYR H H 1 7.872 0.020 . 1 . . . . . 16 TYR H . 27231 1 62 . 1 1 17 17 TYR C C 13 177.380 0.300 . 1 . . . . . 16 TYR C . 27231 1 63 . 1 1 17 17 TYR CA C 13 59.960 0.300 . 1 . . . . . 16 TYR CA . 27231 1 64 . 1 1 17 17 TYR N N 15 122.505 0.300 . 1 . . . . . 16 TYR N . 27231 1 65 . 1 1 18 18 LEU H H 1 8.083 0.020 . 1 . . . . . 17 LEU H . 27231 1 66 . 1 1 18 18 LEU C C 13 178.047 0.300 . 1 . . . . . 17 LEU C . 27231 1 67 . 1 1 18 18 LEU CA C 13 56.457 0.300 . 1 . . . . . 17 LEU CA . 27231 1 68 . 1 1 18 18 LEU CB C 13 40.716 0.300 . 1 . . . . . 17 LEU CB . 27231 1 69 . 1 1 18 18 LEU N N 15 118.249 0.300 . 1 . . . . . 17 LEU N . 27231 1 70 . 1 1 19 19 SER H H 1 8.119 0.020 . 1 . . . . . 18 SER H . 27231 1 71 . 1 1 19 19 SER C C 13 176.313 0.300 . 1 . . . . . 18 SER C . 27231 1 72 . 1 1 19 19 SER CA C 13 61.060 0.300 . 1 . . . . . 18 SER CA . 27231 1 73 . 1 1 19 19 SER CB C 13 62.791 0.300 . 1 . . . . . 18 SER CB . 27231 1 74 . 1 1 19 19 SER N N 15 114.670 0.300 . 1 . . . . . 18 SER N . 27231 1 75 . 1 1 20 20 SER H H 1 8.036 0.020 . 1 . . . . . 19 SER H . 27231 1 76 . 1 1 20 20 SER C C 13 176.787 0.300 . 1 . . . . . 19 SER C . 27231 1 77 . 1 1 20 20 SER CA C 13 60.925 0.300 . 1 . . . . . 19 SER CA . 27231 1 78 . 1 1 20 20 SER CB C 13 62.667 0.300 . 1 . . . . . 19 SER CB . 27231 1 79 . 1 1 20 20 SER N N 15 116.595 0.300 . 1 . . . . . 19 SER N . 27231 1 80 . 1 1 21 21 ARG H H 1 7.667 0.020 . 1 . . . . . 20 ARG H . 27231 1 81 . 1 1 21 21 ARG C C 13 178.055 0.300 . 1 . . . . . 20 ARG C . 27231 1 82 . 1 1 21 21 ARG CA C 13 57.373 0.300 . 1 . . . . . 20 ARG CA . 27231 1 83 . 1 1 21 21 ARG CB C 13 28.684 0.300 . 1 . . . . . 20 ARG CB . 27231 1 84 . 1 1 21 21 ARG N N 15 121.422 0.300 . 1 . . . . . 20 ARG N . 27231 1 85 . 1 1 22 22 ALA H H 1 8.151 0.020 . 1 . . . . . 21 ALA H . 27231 1 86 . 1 1 22 22 ALA C C 13 178.274 0.300 . 1 . . . . . 21 ALA C . 27231 1 87 . 1 1 22 22 ALA CA C 13 54.577 0.300 . 1 . . . . . 21 ALA CA . 27231 1 88 . 1 1 22 22 ALA CB C 13 17.641 0.300 . 1 . . . . . 21 ALA CB . 27231 1 89 . 1 1 22 22 ALA N N 15 122.105 0.300 . 1 . . . . . 21 ALA N . 27231 1 90 . 1 1 23 23 LYS H H 1 7.915 0.020 . 1 . . . . . 22 LYS H . 27231 1 91 . 1 1 23 23 LYS C C 13 177.826 0.300 . 1 . . . . . 22 LYS C . 27231 1 92 . 1 1 23 23 LYS CA C 13 58.985 0.300 . 1 . . . . . 22 LYS CA . 27231 1 93 . 1 1 23 23 LYS CB C 13 31.238 0.300 . 1 . . . . . 22 LYS CB . 27231 1 94 . 1 1 23 23 LYS N N 15 117.582 0.300 . 1 . . . . . 22 LYS N . 27231 1 95 . 1 1 24 24 LEU H H 1 7.472 0.020 . 1 . . . . . 23 LEU H . 27231 1 96 . 1 1 24 24 LEU C C 13 179.214 0.300 . 1 . . . . . 23 LEU C . 27231 1 97 . 1 1 24 24 LEU CA C 13 56.994 0.300 . 1 . . . . . 23 LEU CA . 27231 1 98 . 1 1 24 24 LEU CB C 13 41.004 0.300 . 1 . . . . . 23 LEU CB . 27231 1 99 . 1 1 24 24 LEU N N 15 118.986 0.300 . 1 . . . . . 23 LEU N . 27231 1 100 . 1 1 25 25 ALA H H 1 7.729 0.020 . 1 . . . . . 24 ALA H . 27231 1 101 . 1 1 25 25 ALA C C 13 179.302 0.300 . 1 . . . . . 24 ALA C . 27231 1 102 . 1 1 25 25 ALA CA C 13 54.281 0.300 . 1 . . . . . 24 ALA CA . 27231 1 103 . 1 1 25 25 ALA CB C 13 17.641 0.300 . 1 . . . . . 24 ALA CB . 27231 1 104 . 1 1 25 25 ALA N N 15 121.294 0.300 . 1 . . . . . 24 ALA N . 27231 1 105 . 1 1 26 26 LEU H H 1 8.082 0.020 . 1 . . . . . 25 LEU H . 27231 1 106 . 1 1 26 26 LEU C C 13 178.331 0.300 . 1 . . . . . 25 LEU C . 27231 1 107 . 1 1 26 26 LEU CA C 13 57.301 0.300 . 1 . . . . . 25 LEU CA . 27231 1 108 . 1 1 26 26 LEU CB C 13 40.554 0.300 . 1 . . . . . 25 LEU CB . 27231 1 109 . 1 1 26 26 LEU N N 15 118.740 0.300 . 1 . . . . . 25 LEU N . 27231 1 110 . 1 1 27 27 ASP H H 1 8.306 0.020 . 1 . . . . . 26 ASP H . 27231 1 111 . 1 1 27 27 ASP C C 13 178.429 0.300 . 1 . . . . . 26 ASP C . 27231 1 112 . 1 1 27 27 ASP CA C 13 56.746 0.300 . 1 . . . . . 26 ASP CA . 27231 1 113 . 1 1 27 27 ASP CB C 13 39.878 0.300 . 1 . . . . . 26 ASP CB . 27231 1 114 . 1 1 27 27 ASP N N 15 119.132 0.300 . 1 . . . . . 26 ASP N . 27231 1 115 . 1 1 28 28 ASN H H 1 7.739 0.020 . 1 . . . . . 27 ASN H . 27231 1 116 . 1 1 28 28 ASN C C 13 176.569 0.300 . 1 . . . . . 27 ASN C . 27231 1 117 . 1 1 28 28 ASN CA C 13 55.379 0.300 . 1 . . . . . 27 ASN CA . 27231 1 118 . 1 1 28 28 ASN CB C 13 39.051 0.300 . 1 . . . . . 27 ASN CB . 27231 1 119 . 1 1 28 28 ASN N N 15 116.738 0.300 . 1 . . . . . 27 ASN N . 27231 1 120 . 1 1 29 29 ILE H H 1 7.925 0.020 . 1 . . . . . 28 ILE H . 27231 1 121 . 1 1 29 29 ILE C C 13 177.195 0.300 . 1 . . . . . 28 ILE C . 27231 1 122 . 1 1 29 29 ILE CA C 13 63.665 0.300 . 1 . . . . . 28 ILE CA . 27231 1 123 . 1 1 29 29 ILE CB C 13 36.948 0.300 . 1 . . . . . 28 ILE CB . 27231 1 124 . 1 1 29 29 ILE N N 15 120.032 0.300 . 1 . . . . . 28 ILE N . 27231 1 125 . 1 1 30 30 VAL H H 1 8.093 0.020 . 1 . . . . . 29 VAL H . 27231 1 126 . 1 1 30 30 VAL C C 13 177.888 0.300 . 1 . . . . . 29 VAL C . 27231 1 127 . 1 1 30 30 VAL CA C 13 65.181 0.300 . 1 . . . . . 29 VAL CA . 27231 1 128 . 1 1 30 30 VAL CB C 13 30.657 0.300 . 1 . . . . . 29 VAL CB . 27231 1 129 . 1 1 30 30 VAL N N 15 119.451 0.300 . 1 . . . . . 29 VAL N . 27231 1 130 . 1 1 31 31 MET H H 1 7.911 0.020 . 1 . . . . . 30 MET H . 27231 1 131 . 1 1 31 31 MET C C 13 177.687 0.300 . 1 . . . . . 30 MET C . 27231 1 132 . 1 1 31 31 MET CA C 13 56.821 0.300 . 1 . . . . . 30 MET CA . 27231 1 133 . 1 1 31 31 MET CB C 13 34.353 0.300 . 1 . . . . . 30 MET CB . 27231 1 134 . 1 1 31 31 MET N N 15 119.370 0.300 . 1 . . . . . 30 MET N . 27231 1 135 . 1 1 32 32 LEU H H 1 7.789 0.020 . 1 . . . . . 31 LEU H . 27231 1 136 . 1 1 32 32 LEU C C 13 177.568 0.300 . 1 . . . . . 31 LEU C . 27231 1 137 . 1 1 32 32 LEU CA C 13 56.173 0.300 . 1 . . . . . 31 LEU CA . 27231 1 138 . 1 1 32 32 LEU CB C 13 41.080 0.300 . 1 . . . . . 31 LEU CB . 27231 1 139 . 1 1 32 32 LEU N N 15 120.133 0.300 . 1 . . . . . 31 LEU N . 27231 1 140 . 1 1 33 33 HIS H H 1 7.934 0.020 . 1 . . . . . 32 HIS H . 27231 1 141 . 1 1 33 33 HIS C C 13 175.394 0.300 . 1 . . . . . 32 HIS C . 27231 1 142 . 1 1 33 33 HIS CA C 13 57.167 0.300 . 1 . . . . . 32 HIS CA . 27231 1 143 . 1 1 33 33 HIS CB C 13 29.360 0.300 . 1 . . . . . 32 HIS CB . 27231 1 144 . 1 1 33 33 HIS N N 15 117.019 0.300 . 1 . . . . . 32 HIS N . 27231 1 145 . 1 1 34 34 THR H H 1 7.744 0.020 . 1 . . . . . 33 THR H . 27231 1 146 . 1 1 34 34 THR C C 13 174.952 0.300 . 1 . . . . . 33 THR C . 27231 1 147 . 1 1 34 34 THR CA C 13 61.860 0.300 . 1 . . . . . 33 THR CA . 27231 1 148 . 1 1 34 34 THR N N 15 111.872 0.300 . 1 . . . . . 33 THR N . 27231 1 149 . 1 1 35 35 THR H H 1 7.854 0.020 . 1 . . . . . 34 THR H . 27231 1 150 . 1 1 35 35 THR C C 13 174.959 0.300 . 1 . . . . . 34 THR C . 27231 1 151 . 1 1 35 35 THR CA C 13 61.834 0.300 . 1 . . . . . 34 THR CA . 27231 1 152 . 1 1 35 35 THR N N 15 114.756 0.300 . 1 . . . . . 34 THR N . 27231 1 153 . 1 1 36 36 GLU H H 1 8.349 0.020 . 1 . . . . . 35 GLU H . 27231 1 154 . 1 1 36 36 GLU CA C 13 57.021 0.300 . 1 . . . . . 35 GLU CA . 27231 1 155 . 1 1 36 36 GLU N N 15 122.899 0.300 . 1 . . . . . 35 GLU N . 27231 1 156 . 1 1 38 38 GLY C C 13 174.830 0.300 . 1 . . . . . 37 GLY C . 27231 1 157 . 1 1 38 38 GLY CA C 13 45.361 0.300 . 1 . . . . . 37 GLY CA . 27231 1 158 . 1 1 39 39 GLY H H 1 8.151 0.020 . 1 . . . . . 38 GLY H . 27231 1 159 . 1 1 39 39 GLY C C 13 174.827 0.300 . 1 . . . . . 38 GLY C . 27231 1 160 . 1 1 39 39 GLY CA C 13 45.419 0.300 . 1 . . . . . 38 GLY CA . 27231 1 161 . 1 1 39 39 GLY N N 15 108.846 0.300 . 1 . . . . . 38 GLY N . 27231 1 162 . 1 1 40 40 ARG H H 1 8.021 0.020 . 1 . . . . . 39 ARG H . 27231 1 163 . 1 1 40 40 ARG C C 13 177.259 0.300 . 1 . . . . . 39 ARG C . 27231 1 164 . 1 1 40 40 ARG CA C 13 56.753 0.300 . 1 . . . . . 39 ARG CA . 27231 1 165 . 1 1 40 40 ARG N N 15 120.694 0.300 . 1 . . . . . 39 ARG N . 27231 1 166 . 1 1 41 41 ALA H H 1 8.194 0.020 . 1 . . . . . 40 ALA H . 27231 1 167 . 1 1 41 41 ALA C C 13 178.487 0.300 . 1 . . . . . 40 ALA C . 27231 1 168 . 1 1 41 41 ALA CA C 13 53.531 0.300 . 1 . . . . . 40 ALA CA . 27231 1 169 . 1 1 41 41 ALA CB C 13 18.016 0.300 . 1 . . . . . 40 ALA CB . 27231 1 170 . 1 1 41 41 ALA N N 15 123.588 0.300 . 1 . . . . . 40 ALA N . 27231 1 171 . 1 1 42 42 TYR H H 1 7.953 0.020 . 1 . . . . . 41 TYR H . 27231 1 172 . 1 1 42 42 TYR C C 13 176.225 0.300 . 1 . . . . . 41 TYR C . 27231 1 173 . 1 1 42 42 TYR CA C 13 59.148 0.300 . 1 . . . . . 41 TYR CA . 27231 1 174 . 1 1 42 42 TYR CB C 13 40.629 0.300 . 1 . . . . . 41 TYR CB . 27231 1 175 . 1 1 42 42 TYR N N 15 117.784 0.300 . 1 . . . . . 41 TYR N . 27231 1 176 . 1 1 43 43 GLN H H 1 7.912 0.020 . 1 . . . . . 42 GLN H . 27231 1 177 . 1 1 43 43 GLN C C 13 177.258 0.300 . 1 . . . . . 42 GLN C . 27231 1 178 . 1 1 43 43 GLN CA C 13 57.645 0.300 . 1 . . . . . 42 GLN CA . 27231 1 179 . 1 1 43 43 GLN CB C 13 31.088 0.300 . 1 . . . . . 42 GLN CB . 27231 1 180 . 1 1 43 43 GLN N N 15 119.057 0.300 . 1 . . . . . 42 GLN N . 27231 1 181 . 1 1 44 44 HIS H H 1 7.942 0.020 . 1 . . . . . 43 HIS H . 27231 1 182 . 1 1 44 44 HIS C C 13 176.447 0.300 . 1 . . . . . 43 HIS C . 27231 1 183 . 1 1 44 44 HIS CA C 13 57.502 0.300 . 1 . . . . . 43 HIS CA . 27231 1 184 . 1 1 44 44 HIS CB C 13 29.185 0.300 . 1 . . . . . 43 HIS CB . 27231 1 185 . 1 1 44 44 HIS N N 15 118.274 0.300 . 1 . . . . . 43 HIS N . 27231 1 186 . 1 1 45 45 ALA H H 1 7.883 0.020 . 1 . . . . . 44 ALA H . 27231 1 187 . 1 1 45 45 ALA C C 13 178.470 0.300 . 1 . . . . . 44 ALA C . 27231 1 188 . 1 1 45 45 ALA CA C 13 53.659 0.300 . 1 . . . . . 44 ALA CA . 27231 1 189 . 1 1 45 45 ALA CB C 13 18.016 0.300 . 1 . . . . . 44 ALA CB . 27231 1 190 . 1 1 45 45 ALA N N 15 122.041 0.300 . 1 . . . . . 44 ALA N . 27231 1 191 . 1 1 46 46 LEU H H 1 7.921 0.020 . 1 . . . . . 45 LEU H . 27231 1 192 . 1 1 46 46 LEU C C 13 177.932 0.300 . 1 . . . . . 45 LEU C . 27231 1 193 . 1 1 46 46 LEU CA C 13 56.043 0.300 . 1 . . . . . 45 LEU CA . 27231 1 194 . 1 1 46 46 LEU CB C 13 40.779 0.300 . 1 . . . . . 45 LEU CB . 27231 1 195 . 1 1 46 46 LEU N N 15 116.876 0.300 . 1 . . . . . 45 LEU N . 27231 1 196 . 1 1 47 47 ASN H H 1 7.729 0.020 . 1 . . . . . 46 ASN H . 27231 1 197 . 1 1 47 47 ASN C C 13 175.748 0.300 . 1 . . . . . 46 ASN C . 27231 1 198 . 1 1 47 47 ASN CA C 13 54.278 0.300 . 1 . . . . . 46 ASN CA . 27231 1 199 . 1 1 47 47 ASN CB C 13 38.300 0.300 . 1 . . . . . 46 ASN CB . 27231 1 200 . 1 1 47 47 ASN N N 15 115.824 0.300 . 1 . . . . . 46 ASN N . 27231 1 201 . 1 1 48 48 GLU H H 1 7.621 0.020 . 1 . . . . . 47 GLU H . 27231 1 202 . 1 1 48 48 GLU C C 13 176.096 0.300 . 1 . . . . . 47 GLU C . 27231 1 203 . 1 1 48 48 GLU CA C 13 55.326 0.300 . 1 . . . . . 47 GLU CA . 27231 1 204 . 1 1 48 48 GLU CB C 13 29.210 0.300 . 1 . . . . . 47 GLU CB . 27231 1 205 . 1 1 48 48 GLU N N 15 117.301 0.300 . 1 . . . . . 47 GLU N . 27231 1 206 . 1 1 49 49 LEU H H 1 7.573 0.020 . 1 . . . . . 48 LEU H . 27231 1 207 . 1 1 49 49 LEU CA C 13 53.889 0.300 . 1 . . . . . 48 LEU CA . 27231 1 208 . 1 1 49 49 LEU N N 15 121.246 0.300 . 1 . . . . . 48 LEU N . 27231 1 209 . 1 1 51 51 GLU H H 1 8.389 0.020 . 1 . . . . . 50 GLU H . 27231 1 210 . 1 1 51 51 GLU C C 13 177.605 0.300 . 1 . . . . . 50 GLU C . 27231 1 211 . 1 1 51 51 GLU CA C 13 57.745 0.300 . 1 . . . . . 50 GLU CA . 27231 1 212 . 1 1 51 51 GLU N N 15 119.758 0.300 . 1 . . . . . 50 GLU N . 27231 1 213 . 1 1 52 52 SER H H 1 8.082 0.020 . 1 . . . . . 51 SER H . 27231 1 214 . 1 1 52 52 SER CA C 13 58.849 0.300 . 1 . . . . . 51 SER CA . 27231 1 215 . 1 1 52 52 SER N N 15 114.665 0.300 . 1 . . . . . 51 SER N . 27231 1 216 . 1 1 53 53 LEU C C 13 177.920 0.300 . 1 . . . . . 52 LEU C . 27231 1 217 . 1 1 53 53 LEU CA C 13 56.777 0.300 . 1 . . . . . 52 LEU CA . 27231 1 218 . 1 1 54 54 GLU H H 1 8.532 0.020 . 1 . . . . . 53 GLU H . 27231 1 219 . 1 1 54 54 GLU C C 13 177.750 0.300 . 1 . . . . . 53 GLU C . 27231 1 220 . 1 1 54 54 GLU CA C 13 59.864 0.300 . 1 . . . . . 53 GLU CA . 27231 1 221 . 1 1 54 54 GLU N N 15 119.162 0.300 . 1 . . . . . 53 GLU N . 27231 1 222 . 1 1 55 55 THR H H 1 7.699 0.020 . 1 . . . . . 54 THR H . 27231 1 223 . 1 1 55 55 THR C C 13 175.646 0.300 . 1 . . . . . 54 THR C . 27231 1 224 . 1 1 55 55 THR CA C 13 66.510 0.300 . 1 . . . . . 54 THR CA . 27231 1 225 . 1 1 55 55 THR N N 15 115.494 0.300 . 1 . . . . . 54 THR N . 27231 1 226 . 1 1 56 56 LEU H H 1 7.720 0.020 . 1 . . . . . 55 LEU H . 27231 1 227 . 1 1 56 56 LEU C C 13 177.987 0.300 . 1 . . . . . 55 LEU C . 27231 1 228 . 1 1 56 56 LEU CA C 13 57.794 0.300 . 1 . . . . . 55 LEU CA . 27231 1 229 . 1 1 56 56 LEU CB C 13 40.605 0.300 . 1 . . . . . 55 LEU CB . 27231 1 230 . 1 1 56 56 LEU N N 15 120.950 0.300 . 1 . . . . . 55 LEU N . 27231 1 231 . 1 1 57 57 MET H H 1 8.103 0.020 . 1 . . . . . 56 MET H . 27231 1 232 . 1 1 57 57 MET C C 13 177.390 0.300 . 1 . . . . . 56 MET C . 27231 1 233 . 1 1 57 57 MET CA C 13 58.313 0.300 . 1 . . . . . 56 MET CA . 27231 1 234 . 1 1 57 57 MET CB C 13 31.764 0.300 . 1 . . . . . 56 MET CB . 27231 1 235 . 1 1 57 57 MET N N 15 116.550 0.300 . 1 . . . . . 56 MET N . 27231 1 236 . 1 1 58 58 LEU H H 1 7.707 0.020 . 1 . . . . . 57 LEU H . 27231 1 237 . 1 1 58 58 LEU C C 13 178.338 0.300 . 1 . . . . . 57 LEU C . 27231 1 238 . 1 1 58 58 LEU CA C 13 57.856 0.300 . 1 . . . . . 57 LEU CA . 27231 1 239 . 1 1 58 58 LEU CB C 13 40.629 0.300 . 1 . . . . . 57 LEU CB . 27231 1 240 . 1 1 58 58 LEU N N 15 118.985 0.300 . 1 . . . . . 57 LEU N . 27231 1 241 . 1 1 59 59 VAL H H 1 8.051 0.020 . 1 . . . . . 58 VAL H . 27231 1 242 . 1 1 59 59 VAL C C 13 177.684 0.300 . 1 . . . . . 58 VAL C . 27231 1 243 . 1 1 59 59 VAL CA C 13 66.410 0.300 . 1 . . . . . 58 VAL CA . 27231 1 244 . 1 1 59 59 VAL CB C 13 30.262 0.300 . 1 . . . . . 58 VAL CB . 27231 1 245 . 1 1 59 59 VAL N N 15 117.693 0.300 . 1 . . . . . 58 VAL N . 27231 1 246 . 1 1 60 60 ALA H H 1 8.248 0.020 . 1 . . . . . 59 ALA H . 27231 1 247 . 1 1 60 60 ALA C C 13 179.035 0.300 . 1 . . . . . 59 ALA C . 27231 1 248 . 1 1 60 60 ALA CA C 13 54.796 0.300 . 1 . . . . . 59 ALA CA . 27231 1 249 . 1 1 60 60 ALA CB C 13 16.964 0.300 . 1 . . . . . 59 ALA CB . 27231 1 250 . 1 1 60 60 ALA N N 15 121.952 0.300 . 1 . . . . . 59 ALA N . 27231 1 251 . 1 1 61 61 LEU H H 1 8.161 0.020 . 1 . . . . . 60 LEU H . 27231 1 252 . 1 1 61 61 LEU C C 13 178.623 0.300 . 1 . . . . . 60 LEU C . 27231 1 253 . 1 1 61 61 LEU CA C 13 57.681 0.300 . 1 . . . . . 60 LEU CA . 27231 1 254 . 1 1 61 61 LEU CB C 13 40.629 0.300 . 1 . . . . . 60 LEU CB . 27231 1 255 . 1 1 61 61 LEU N N 15 118.016 0.300 . 1 . . . . . 60 LEU N . 27231 1 256 . 1 1 62 62 LEU H H 1 8.300 0.020 . 1 . . . . . 61 LEU H . 27231 1 257 . 1 1 62 62 LEU C C 13 180.748 0.300 . 1 . . . . . 61 LEU C . 27231 1 258 . 1 1 62 62 LEU CA C 13 57.509 0.300 . 1 . . . . . 61 LEU CA . 27231 1 259 . 1 1 62 62 LEU CB C 13 40.433 0.300 . 1 . . . . . 61 LEU CB . 27231 1 260 . 1 1 62 62 LEU N N 15 119.337 0.300 . 1 . . . . . 61 LEU N . 27231 1 261 . 1 1 63 63 GLY H H 1 8.811 0.020 . 1 . . . . . 62 GLY H . 27231 1 262 . 1 1 63 63 GLY C C 13 174.339 0.300 . 1 . . . . . 62 GLY C . 27231 1 263 . 1 1 63 63 GLY CA C 13 46.907 0.300 . 1 . . . . . 62 GLY CA . 27231 1 264 . 1 1 63 63 GLY N N 15 110.161 0.300 . 1 . . . . . 62 GLY N . 27231 1 265 . 1 1 64 64 ALA H H 1 8.439 0.020 . 1 . . . . . 63 ALA H . 27231 1 266 . 1 1 64 64 ALA C C 13 179.182 0.300 . 1 . . . . . 63 ALA C . 27231 1 267 . 1 1 64 64 ALA CA C 13 54.843 0.300 . 1 . . . . . 63 ALA CA . 27231 1 268 . 1 1 64 64 ALA CB C 13 17.040 0.300 . 1 . . . . . 63 ALA CB . 27231 1 269 . 1 1 64 64 ALA N N 15 124.426 0.300 . 1 . . . . . 63 ALA N . 27231 1 270 . 1 1 65 65 MET H H 1 8.468 0.020 . 1 . . . . . 64 MET H . 27231 1 271 . 1 1 65 65 MET C C 13 177.645 0.300 . 1 . . . . . 64 MET C . 27231 1 272 . 1 1 65 65 MET CA C 13 58.794 0.300 . 1 . . . . . 64 MET CA . 27231 1 273 . 1 1 65 65 MET CB C 13 32.065 0.300 . 1 . . . . . 64 MET CB . 27231 1 274 . 1 1 65 65 MET N N 15 116.370 0.300 . 1 . . . . . 64 MET N . 27231 1 275 . 1 1 66 66 THR H H 1 8.017 0.020 . 1 . . . . . 65 THR H . 27231 1 276 . 1 1 66 66 THR C C 13 175.918 0.300 . 1 . . . . . 65 THR C . 27231 1 277 . 1 1 66 66 THR CA C 13 67.320 0.300 . 1 . . . . . 65 THR CA . 27231 1 278 . 1 1 66 66 THR N N 15 115.184 0.300 . 1 . . . . . 65 THR N . 27231 1 279 . 1 1 67 67 ALA H H 1 8.202 0.020 . 1 . . . . . 66 ALA H . 27231 1 280 . 1 1 67 67 ALA C C 13 179.302 0.300 . 1 . . . . . 66 ALA C . 27231 1 281 . 1 1 67 67 ALA CA C 13 54.911 0.300 . 1 . . . . . 66 ALA CA . 27231 1 282 . 1 1 67 67 ALA CB C 13 17.313 0.300 . 1 . . . . . 66 ALA CB . 27231 1 283 . 1 1 67 67 ALA N N 15 122.622 0.300 . 1 . . . . . 66 ALA N . 27231 1 284 . 1 1 68 68 GLY H H 1 8.491 0.020 . 1 . . . . . 67 GLY H . 27231 1 285 . 1 1 68 68 GLY C C 13 174.756 0.300 . 1 . . . . . 67 GLY C . 27231 1 286 . 1 1 68 68 GLY CA C 13 47.172 0.300 . 1 . . . . . 67 GLY CA . 27231 1 287 . 1 1 68 68 GLY N N 15 104.911 0.300 . 1 . . . . . 67 GLY N . 27231 1 288 . 1 1 69 69 ILE H H 1 8.270 0.020 . 1 . . . . . 68 ILE H . 27231 1 289 . 1 1 69 69 ILE C C 13 177.802 0.300 . 1 . . . . . 68 ILE C . 27231 1 290 . 1 1 69 69 ILE CA C 13 65.120 0.300 . 1 . . . . . 68 ILE CA . 27231 1 291 . 1 1 69 69 ILE CB C 13 36.797 0.300 . 1 . . . . . 68 ILE CB . 27231 1 292 . 1 1 69 69 ILE N N 15 122.071 0.300 . 1 . . . . . 68 ILE N . 27231 1 293 . 1 1 70 70 PHE H H 1 8.244 0.020 . 1 . . . . . 69 PHE H . 27231 1 294 . 1 1 70 70 PHE C C 13 177.673 0.300 . 1 . . . . . 69 PHE C . 27231 1 295 . 1 1 70 70 PHE CA C 13 61.391 0.300 . 1 . . . . . 69 PHE CA . 27231 1 296 . 1 1 70 70 PHE CB C 13 38.075 0.300 . 1 . . . . . 69 PHE CB . 27231 1 297 . 1 1 70 70 PHE N N 15 119.542 0.300 . 1 . . . . . 69 PHE N . 27231 1 298 . 1 1 71 71 LEU H H 1 8.628 0.020 . 1 . . . . . 70 LEU H . 27231 1 299 . 1 1 71 71 LEU C C 13 178.795 0.300 . 1 . . . . . 70 LEU C . 27231 1 300 . 1 1 71 71 LEU CA C 13 57.544 0.300 . 1 . . . . . 70 LEU CA . 27231 1 301 . 1 1 71 71 LEU CB C 13 41.080 0.300 . 1 . . . . . 70 LEU CB . 27231 1 302 . 1 1 71 71 LEU N N 15 118.528 0.300 . 1 . . . . . 70 LEU N . 27231 1 303 . 1 1 72 72 PHE H H 1 8.216 0.020 . 1 . . . . . 71 PHE H . 27231 1 304 . 1 1 72 72 PHE C C 13 177.566 0.300 . 1 . . . . . 71 PHE C . 27231 1 305 . 1 1 72 72 PHE CA C 13 60.635 0.300 . 1 . . . . . 71 PHE CA . 27231 1 306 . 1 1 72 72 PHE CB C 13 38.751 0.300 . 1 . . . . . 71 PHE CB . 27231 1 307 . 1 1 72 72 PHE N N 15 118.029 0.300 . 1 . . . . . 71 PHE N . 27231 1 308 . 1 1 73 73 PHE H H 1 8.008 0.020 . 1 . . . . . 72 PHE H . 27231 1 309 . 1 1 73 73 PHE C C 13 176.976 0.300 . 1 . . . . . 72 PHE C . 27231 1 310 . 1 1 73 73 PHE CA C 13 60.258 0.300 . 1 . . . . . 72 PHE CA . 27231 1 311 . 1 1 73 73 PHE CB C 13 38.976 0.300 . 1 . . . . . 72 PHE CB . 27231 1 312 . 1 1 73 73 PHE N N 15 116.059 0.300 . 1 . . . . . 72 PHE N . 27231 1 313 . 1 1 74 74 MET H H 1 7.984 0.020 . 1 . . . . . 73 MET H . 27231 1 314 . 1 1 74 74 MET C C 13 176.625 0.300 . 1 . . . . . 73 MET C . 27231 1 315 . 1 1 74 74 MET CA C 13 55.802 0.300 . 1 . . . . . 73 MET CA . 27231 1 316 . 1 1 74 74 MET CB C 13 31.839 0.300 . 1 . . . . . 73 MET CB . 27231 1 317 . 1 1 74 74 MET N N 15 116.699 0.300 . 1 . . . . . 73 MET N . 27231 1 318 . 1 1 75 75 GLN H H 1 7.653 0.020 . 1 . . . . . 74 GLN H . 27231 1 319 . 1 1 75 75 GLN C C 13 177.270 0.300 . 1 . . . . . 74 GLN C . 27231 1 320 . 1 1 75 75 GLN CA C 13 56.479 0.300 . 1 . . . . . 74 GLN CA . 27231 1 321 . 1 1 75 75 GLN CB C 13 28.083 0.300 . 1 . . . . . 74 GLN CB . 27231 1 322 . 1 1 75 75 GLN N N 15 118.190 0.300 . 1 . . . . . 74 GLN N . 27231 1 323 . 1 1 76 76 GLY H H 1 8.172 0.020 . 1 . . . . . 75 GLY H . 27231 1 324 . 1 1 76 76 GLY C C 13 174.577 0.300 . 1 . . . . . 75 GLY C . 27231 1 325 . 1 1 76 76 GLY CA C 13 45.386 0.300 . 1 . . . . . 75 GLY CA . 27231 1 326 . 1 1 76 76 GLY N N 15 109.142 0.300 . 1 . . . . . 75 GLY N . 27231 1 327 . 1 1 77 77 LYS H H 1 7.821 0.020 . 1 . . . . . 76 LYS H . 27231 1 328 . 1 1 77 77 LYS C C 13 176.575 0.300 . 1 . . . . . 76 LYS C . 27231 1 329 . 1 1 77 77 LYS CA C 13 55.380 0.300 . 1 . . . . . 76 LYS CA . 27231 1 330 . 1 1 77 77 LYS CB C 13 31.689 0.300 . 1 . . . . . 76 LYS CB . 27231 1 331 . 1 1 77 77 LYS N N 15 119.080 0.300 . 1 . . . . . 76 LYS N . 27231 1 332 . 1 1 78 78 GLY H H 1 8.275 0.020 . 1 . . . . . 77 GLY H . 27231 1 333 . 1 1 78 78 GLY C C 13 174.044 0.300 . 1 . . . . . 77 GLY C . 27231 1 334 . 1 1 78 78 GLY CA C 13 45.386 0.300 . 1 . . . . . 77 GLY CA . 27231 1 335 . 1 1 78 78 GLY N N 15 108.593 0.300 . 1 . . . . . 77 GLY N . 27231 1 336 . 1 1 79 79 ILE H H 1 7.745 0.020 . 1 . . . . . 78 ILE H . 27231 1 337 . 1 1 79 79 ILE C C 13 175.866 0.300 . 1 . . . . . 78 ILE C . 27231 1 338 . 1 1 79 79 ILE CA C 13 60.541 0.300 . 1 . . . . . 78 ILE CA . 27231 1 339 . 1 1 79 79 ILE N N 15 119.138 0.300 . 1 . . . . . 78 ILE N . 27231 1 340 . 1 1 80 80 GLY H H 1 8.409 0.020 . 1 . . . . . 79 GLY H . 27231 1 341 . 1 1 80 80 GLY C C 13 174.194 0.300 . 1 . . . . . 79 GLY C . 27231 1 342 . 1 1 80 80 GLY CA C 13 44.871 0.300 . 1 . . . . . 79 GLY CA . 27231 1 343 . 1 1 80 80 GLY N N 15 112.716 0.300 . 1 . . . . . 79 GLY N . 27231 1 344 . 1 1 81 81 LYS H H 1 8.446 0.020 . 1 . . . . . 80 LYS H . 27231 1 345 . 1 1 81 81 LYS C C 13 178.015 0.300 . 1 . . . . . 80 LYS C . 27231 1 346 . 1 1 81 81 LYS CA C 13 59.460 0.300 . 1 . . . . . 80 LYS CA . 27231 1 347 . 1 1 81 81 LYS N N 15 120.687 0.300 . 1 . . . . . 80 LYS N . 27231 1 348 . 1 1 82 82 LEU H H 1 8.403 0.020 . 1 . . . . . 81 LEU H . 27231 1 349 . 1 1 82 82 LEU C C 13 178.589 0.300 . 1 . . . . . 81 LEU C . 27231 1 350 . 1 1 82 82 LEU CA C 13 57.831 0.300 . 1 . . . . . 81 LEU CA . 27231 1 351 . 1 1 82 82 LEU CB C 13 40.328 0.300 . 1 . . . . . 81 LEU CB . 27231 1 352 . 1 1 82 82 LEU N N 15 119.490 0.300 . 1 . . . . . 81 LEU N . 27231 1 353 . 1 1 83 83 SER H H 1 8.010 0.020 . 1 . . . . . 82 SER H . 27231 1 354 . 1 1 83 83 SER C C 13 175.893 0.300 . 1 . . . . . 82 SER C . 27231 1 355 . 1 1 83 83 SER CA C 13 62.251 0.300 . 1 . . . . . 82 SER CA . 27231 1 356 . 1 1 83 83 SER N N 15 115.074 0.300 . 1 . . . . . 82 SER N . 27231 1 357 . 1 1 84 84 MET H H 1 8.150 0.020 . 1 . . . . . 83 MET H . 27231 1 358 . 1 1 84 84 MET C C 13 179.432 0.300 . 1 . . . . . 83 MET C . 27231 1 359 . 1 1 84 84 MET CA C 13 58.138 0.300 . 1 . . . . . 83 MET CA . 27231 1 360 . 1 1 84 84 MET N N 15 119.450 0.300 . 1 . . . . . 83 MET N . 27231 1 361 . 1 1 85 85 GLY H H 1 8.503 0.020 . 1 . . . . . 84 GLY H . 27231 1 362 . 1 1 85 85 GLY C C 13 174.148 0.300 . 1 . . . . . 84 GLY C . 27231 1 363 . 1 1 85 85 GLY CA C 13 47.206 0.300 . 1 . . . . . 84 GLY CA . 27231 1 364 . 1 1 85 85 GLY N N 15 109.837 0.300 . 1 . . . . . 84 GLY N . 27231 1 365 . 1 1 86 86 LEU H H 1 8.170 0.020 . 1 . . . . . 85 LEU H . 27231 1 366 . 1 1 86 86 LEU C C 13 178.500 0.300 . 1 . . . . . 85 LEU C . 27231 1 367 . 1 1 86 86 LEU CA C 13 57.747 0.300 . 1 . . . . . 85 LEU CA . 27231 1 368 . 1 1 86 86 LEU CB C 13 39.427 0.300 . 1 . . . . . 85 LEU CB . 27231 1 369 . 1 1 86 86 LEU N N 15 121.220 0.300 . 1 . . . . . 85 LEU N . 27231 1 370 . 1 1 87 87 ILE H H 1 8.157 0.020 . 1 . . . . . 86 ILE H . 27231 1 371 . 1 1 87 87 ILE C C 13 177.040 0.300 . 1 . . . . . 86 ILE C . 27231 1 372 . 1 1 87 87 ILE CA C 13 64.925 0.300 . 1 . . . . . 86 ILE CA . 27231 1 373 . 1 1 87 87 ILE CB C 13 37.023 0.300 . 1 . . . . . 86 ILE CB . 27231 1 374 . 1 1 87 87 ILE N N 15 117.853 0.300 . 1 . . . . . 86 ILE N . 27231 1 375 . 1 1 88 88 THR H H 1 7.780 0.020 . 1 . . . . . 87 THR H . 27231 1 376 . 1 1 88 88 THR C C 13 175.899 0.300 . 1 . . . . . 87 THR C . 27231 1 377 . 1 1 88 88 THR CA C 13 67.799 0.300 . 1 . . . . . 87 THR CA . 27231 1 378 . 1 1 88 88 THR N N 15 116.004 0.300 . 1 . . . . . 87 THR N . 27231 1 379 . 1 1 89 89 ILE H H 1 7.825 0.020 . 1 . . . . . 88 ILE H . 27231 1 380 . 1 1 89 89 ILE C C 13 178.863 0.300 . 1 . . . . . 88 ILE C . 27231 1 381 . 1 1 89 89 ILE CA C 13 64.536 0.300 . 1 . . . . . 88 ILE CA . 27231 1 382 . 1 1 89 89 ILE CB C 13 37.098 0.300 . 1 . . . . . 88 ILE CB . 27231 1 383 . 1 1 89 89 ILE N N 15 119.924 0.300 . 1 . . . . . 88 ILE N . 27231 1 384 . 1 1 90 90 ALA H H 1 8.207 0.020 . 1 . . . . . 89 ALA H . 27231 1 385 . 1 1 90 90 ALA C C 13 178.511 0.300 . 1 . . . . . 89 ALA C . 27231 1 386 . 1 1 90 90 ALA CA C 13 55.395 0.300 . 1 . . . . . 89 ALA CA . 27231 1 387 . 1 1 90 90 ALA CB C 13 17.173 0.300 . 1 . . . . . 89 ALA CB . 27231 1 388 . 1 1 90 90 ALA N N 15 125.214 0.300 . 1 . . . . . 89 ALA N . 27231 1 389 . 1 1 91 91 VAL H H 1 8.342 0.020 . 1 . . . . . 90 VAL H . 27231 1 390 . 1 1 91 91 VAL C C 13 177.406 0.300 . 1 . . . . . 90 VAL C . 27231 1 391 . 1 1 91 91 VAL CA C 13 66.366 0.300 . 1 . . . . . 90 VAL CA . 27231 1 392 . 1 1 91 91 VAL CB C 13 30.562 0.300 . 1 . . . . . 90 VAL CB . 27231 1 393 . 1 1 91 91 VAL N N 15 116.984 0.300 . 1 . . . . . 90 VAL N . 27231 1 394 . 1 1 92 92 ALA H H 1 8.426 0.020 . 1 . . . . . 91 ALA H . 27231 1 395 . 1 1 92 92 ALA C C 13 179.110 0.300 . 1 . . . . . 91 ALA C . 27231 1 396 . 1 1 92 92 ALA CA C 13 55.371 0.300 . 1 . . . . . 91 ALA CA . 27231 1 397 . 1 1 92 92 ALA N N 15 120.885 0.300 . 1 . . . . . 91 ALA N . 27231 1 398 . 1 1 93 93 SER H H 1 8.050 0.020 . 1 . . . . . 92 SER H . 27231 1 399 . 1 1 93 93 SER C C 13 176.063 0.300 . 1 . . . . . 92 SER C . 27231 1 400 . 1 1 93 93 SER CA C 13 62.413 0.300 . 1 . . . . . 92 SER CA . 27231 1 401 . 1 1 93 93 SER N N 15 112.013 0.300 . 1 . . . . . 92 SER N . 27231 1 402 . 1 1 94 94 GLY H H 1 8.375 0.020 . 1 . . . . . 93 GLY H . 27231 1 403 . 1 1 94 94 GLY C C 13 175.134 0.300 . 1 . . . . . 93 GLY C . 27231 1 404 . 1 1 94 94 GLY CA C 13 46.966 0.300 . 1 . . . . . 93 GLY CA . 27231 1 405 . 1 1 94 94 GLY N N 15 109.730 0.300 . 1 . . . . . 93 GLY N . 27231 1 406 . 1 1 95 95 LEU H H 1 8.309 0.020 . 1 . . . . . 94 LEU H . 27231 1 407 . 1 1 95 95 LEU C C 13 177.203 0.300 . 1 . . . . . 94 LEU C . 27231 1 408 . 1 1 95 95 LEU CA C 13 57.578 0.300 . 1 . . . . . 94 LEU CA . 27231 1 409 . 1 1 95 95 LEU CB C 13 40.479 0.300 . 1 . . . . . 94 LEU CB . 27231 1 410 . 1 1 95 95 LEU N N 15 122.015 0.300 . 1 . . . . . 94 LEU N . 27231 1 411 . 1 1 96 96 LEU H H 1 7.938 0.020 . 1 . . . . . 95 LEU H . 27231 1 412 . 1 1 96 96 LEU C C 13 178.458 0.300 . 1 . . . . . 95 LEU C . 27231 1 413 . 1 1 96 96 LEU CA C 13 57.469 0.300 . 1 . . . . . 95 LEU CA . 27231 1 414 . 1 1 96 96 LEU CB C 13 40.673 0.300 . 1 . . . . . 95 LEU CB . 27231 1 415 . 1 1 96 96 LEU N N 15 117.940 0.300 . 1 . . . . . 95 LEU N . 27231 1 416 . 1 1 97 97 TRP H H 1 8.238 0.020 . 1 . . . . . 96 TRP H . 27231 1 417 . 1 1 97 97 TRP C C 13 174.622 0.300 . 1 . . . . . 96 TRP C . 27231 1 418 . 1 1 97 97 TRP CA C 13 60.542 0.300 . 1 . . . . . 96 TRP CA . 27231 1 419 . 1 1 97 97 TRP N N 15 119.623 0.300 . 1 . . . . . 96 TRP N . 27231 1 420 . 1 1 98 98 VAL H H 1 7.369 0.020 . 1 . . . . . 97 VAL H . 27231 1 421 . 1 1 98 98 VAL C C 13 174.882 0.300 . 1 . . . . . 97 VAL C . 27231 1 422 . 1 1 98 98 VAL CA C 13 60.285 0.300 . 1 . . . . . 97 VAL CA . 27231 1 423 . 1 1 98 98 VAL N N 15 115.551 0.300 . 1 . . . . . 97 VAL N . 27231 1 424 . 1 1 99 99 ALA H H 1 8.605 0.020 . 1 . . . . . 98 ALA H . 27231 1 425 . 1 1 99 99 ALA C C 13 178.156 0.300 . 1 . . . . . 98 ALA C . 27231 1 426 . 1 1 99 99 ALA CA C 13 56.479 0.300 . 1 . . . . . 98 ALA CA . 27231 1 427 . 1 1 99 99 ALA N N 15 121.457 0.300 . 1 . . . . . 98 ALA N . 27231 1 428 . 1 1 100 100 GLU H H 1 8.200 0.020 . 1 . . . . . 99 GLU H . 27231 1 429 . 1 1 100 100 GLU C C 13 178.013 0.300 . 1 . . . . . 99 GLU C . 27231 1 430 . 1 1 100 100 GLU CA C 13 56.094 0.300 . 1 . . . . . 99 GLU CA . 27231 1 431 . 1 1 100 100 GLU N N 15 119.549 0.300 . 1 . . . . . 99 GLU N . 27231 1 432 . 1 1 101 101 ILE H H 1 7.689 0.020 . 1 . . . . . 100 ILE H . 27231 1 433 . 1 1 101 101 ILE C C 13 177.061 0.300 . 1 . . . . . 100 ILE C . 27231 1 434 . 1 1 101 101 ILE CA C 13 62.949 0.300 . 1 . . . . . 100 ILE CA . 27231 1 435 . 1 1 101 101 ILE N N 15 119.367 0.300 . 1 . . . . . 100 ILE N . 27231 1 436 . 1 1 102 102 GLN H H 1 7.722 0.020 . 1 . . . . . 101 GLN H . 27231 1 437 . 1 1 102 102 GLN CA C 13 57.318 0.300 . 1 . . . . . 101 GLN CA . 27231 1 438 . 1 1 102 102 GLN N N 15 119.243 0.300 . 1 . . . . . 101 GLN N . 27231 1 439 . 1 1 106 106 ILE H H 1 7.610 0.020 . 1 . . . . . 105 ILE H . 27231 1 440 . 1 1 106 106 ILE C C 13 176.098 0.300 . 1 . . . . . 105 ILE C . 27231 1 441 . 1 1 106 106 ILE CA C 13 65.145 0.300 . 1 . . . . . 105 ILE CA . 27231 1 442 . 1 1 106 106 ILE N N 15 120.957 0.300 . 1 . . . . . 105 ILE N . 27231 1 443 . 1 1 107 107 ALA H H 1 7.684 0.020 . 1 . . . . . 106 ALA H . 27231 1 444 . 1 1 107 107 ALA CA C 13 51.921 0.300 . 1 . . . . . 106 ALA CA . 27231 1 445 . 1 1 107 107 ALA CB C 13 17.791 0.300 . 1 . . . . . 106 ALA CB . 27231 1 446 . 1 1 107 107 ALA N N 15 120.389 0.300 . 1 . . . . . 106 ALA N . 27231 1 447 . 1 1 108 108 ALA C C 13 178.453 0.300 . 1 . . . . . 107 ALA C . 27231 1 448 . 1 1 108 108 ALA CA C 13 54.961 0.300 . 1 . . . . . 107 ALA CA . 27231 1 449 . 1 1 109 109 SER H H 1 7.949 0.020 . 1 . . . . . 108 SER H . 27231 1 450 . 1 1 109 109 SER C C 13 175.057 0.300 . 1 . . . . . 108 SER C . 27231 1 451 . 1 1 109 109 SER CA C 13 62.188 0.300 . 1 . . . . . 108 SER CA . 27231 1 452 . 1 1 109 109 SER CB C 13 68.049 0.300 . 1 . . . . . 108 SER CB . 27231 1 453 . 1 1 109 109 SER N N 15 113.248 0.300 . 1 . . . . . 108 SER N . 27231 1 454 . 1 1 110 110 ILE H H 1 7.643 0.020 . 1 . . . . . 109 ILE H . 27231 1 455 . 1 1 110 110 ILE C C 13 177.448 0.300 . 1 . . . . . 109 ILE C . 27231 1 456 . 1 1 110 110 ILE CA C 13 64.626 0.300 . 1 . . . . . 109 ILE CA . 27231 1 457 . 1 1 110 110 ILE CB C 13 37.098 0.300 . 1 . . . . . 109 ILE CB . 27231 1 458 . 1 1 110 110 ILE N N 15 123.304 0.300 . 1 . . . . . 109 ILE N . 27231 1 459 . 1 1 111 111 ILE H H 1 7.538 0.020 . 1 . . . . . 110 ILE H . 27231 1 460 . 1 1 111 111 ILE C C 13 177.402 0.300 . 1 . . . . . 110 ILE C . 27231 1 461 . 1 1 111 111 ILE CA C 13 64.550 0.300 . 1 . . . . . 110 ILE CA . 27231 1 462 . 1 1 111 111 ILE CB C 13 36.272 0.300 . 1 . . . . . 110 ILE CB . 27231 1 463 . 1 1 111 111 ILE N N 15 118.684 0.300 . 1 . . . . . 110 ILE N . 27231 1 464 . 1 1 112 112 LEU H H 1 7.929 0.020 . 1 . . . . . 111 LEU H . 27231 1 465 . 1 1 112 112 LEU C C 13 178.375 0.300 . 1 . . . . . 111 LEU C . 27231 1 466 . 1 1 112 112 LEU CA C 13 57.959 0.300 . 1 . . . . . 111 LEU CA . 27231 1 467 . 1 1 112 112 LEU CB C 13 40.629 0.300 . 1 . . . . . 111 LEU CB . 27231 1 468 . 1 1 112 112 LEU N N 15 118.668 0.300 . 1 . . . . . 111 LEU N . 27231 1 469 . 1 1 113 113 GLU H H 1 8.433 0.020 . 1 . . . . . 112 GLU H . 27231 1 470 . 1 1 113 113 GLU C C 13 177.975 0.300 . 1 . . . . . 112 GLU C . 27231 1 471 . 1 1 113 113 GLU CA C 13 59.261 0.300 . 1 . . . . . 112 GLU CA . 27231 1 472 . 1 1 113 113 GLU CB C 13 28.083 0.300 . 1 . . . . . 112 GLU CB . 27231 1 473 . 1 1 113 113 GLU N N 15 117.826 0.300 . 1 . . . . . 112 GLU N . 27231 1 474 . 1 1 114 114 PHE H H 1 8.466 0.020 . 1 . . . . . 113 PHE H . 27231 1 475 . 1 1 114 114 PHE C C 13 177.094 0.300 . 1 . . . . . 113 PHE C . 27231 1 476 . 1 1 114 114 PHE CA C 13 61.162 0.300 . 1 . . . . . 113 PHE CA . 27231 1 477 . 1 1 114 114 PHE CB C 13 38.150 0.300 . 1 . . . . . 113 PHE CB . 27231 1 478 . 1 1 114 114 PHE N N 15 118.891 0.300 . 1 . . . . . 113 PHE N . 27231 1 479 . 1 1 115 115 PHE H H 1 8.266 0.020 . 1 . . . . . 114 PHE H . 27231 1 480 . 1 1 115 115 PHE C C 13 177.205 0.300 . 1 . . . . . 114 PHE C . 27231 1 481 . 1 1 115 115 PHE CA C 13 60.860 0.300 . 1 . . . . . 114 PHE CA . 27231 1 482 . 1 1 115 115 PHE CB C 13 37.995 0.300 . 1 . . . . . 114 PHE CB . 27231 1 483 . 1 1 115 115 PHE N N 15 117.859 0.300 . 1 . . . . . 114 PHE N . 27231 1 484 . 1 1 116 116 LEU H H 1 8.321 0.020 . 1 . . . . . 115 LEU H . 27231 1 485 . 1 1 116 116 LEU C C 13 178.298 0.300 . 1 . . . . . 115 LEU C . 27231 1 486 . 1 1 116 116 LEU CA C 13 57.681 0.300 . 1 . . . . . 115 LEU CA . 27231 1 487 . 1 1 116 116 LEU CB C 13 40.479 0.300 . 1 . . . . . 115 LEU CB . 27231 1 488 . 1 1 116 116 LEU N N 15 117.744 0.300 . 1 . . . . . 115 LEU N . 27231 1 489 . 1 1 117 117 MET H H 1 7.994 0.020 . 1 . . . . . 116 MET H . 27231 1 490 . 1 1 117 117 MET C C 13 177.839 0.300 . 1 . . . . . 116 MET C . 27231 1 491 . 1 1 117 117 MET CA C 13 59.055 0.300 . 1 . . . . . 116 MET CA . 27231 1 492 . 1 1 117 117 MET CB C 13 31.441 0.300 . 1 . . . . . 116 MET CB . 27231 1 493 . 1 1 117 117 MET N N 15 116.705 0.300 . 1 . . . . . 116 MET N . 27231 1 494 . 1 1 118 118 VAL H H 1 7.759 0.020 . 1 . . . . . 117 VAL H . 27231 1 495 . 1 1 118 118 VAL C C 13 177.401 0.300 . 1 . . . . . 117 VAL C . 27231 1 496 . 1 1 118 118 VAL CA C 13 65.168 0.300 . 1 . . . . . 117 VAL CA . 27231 1 497 . 1 1 118 118 VAL CB C 13 30.262 0.300 . 1 . . . . . 117 VAL CB . 27231 1 498 . 1 1 118 118 VAL N N 15 116.289 0.300 . 1 . . . . . 117 VAL N . 27231 1 499 . 1 1 119 119 LEU H H 1 7.565 0.020 . 1 . . . . . 118 LEU H . 27231 1 500 . 1 1 119 119 LEU C C 13 178.109 0.300 . 1 . . . . . 118 LEU C . 27231 1 501 . 1 1 119 119 LEU CA C 13 56.307 0.300 . 1 . . . . . 118 LEU CA . 27231 1 502 . 1 1 119 119 LEU CB C 13 41.455 0.300 . 1 . . . . . 118 LEU CB . 27231 1 503 . 1 1 119 119 LEU N N 15 117.266 0.300 . 1 . . . . . 118 LEU N . 27231 1 504 . 1 1 120 120 LEU H H 1 7.623 0.020 . 1 . . . . . 119 LEU H . 27231 1 505 . 1 1 120 120 LEU C C 13 176.905 0.300 . 1 . . . . . 119 LEU C . 27231 1 506 . 1 1 120 120 LEU CA C 13 55.002 0.300 . 1 . . . . . 119 LEU CA . 27231 1 507 . 1 1 120 120 LEU CB C 13 42.357 0.300 . 1 . . . . . 119 LEU CB . 27231 1 508 . 1 1 120 120 LEU N N 15 115.765 0.300 . 1 . . . . . 119 LEU N . 27231 1 509 . 1 1 121 121 ILE H H 1 7.442 0.020 . 1 . . . . . 120 ILE H . 27231 1 510 . 1 1 121 121 ILE CA C 13 60.429 0.300 . 1 . . . . . 120 ILE CA . 27231 1 511 . 1 1 121 121 ILE CB C 13 36.422 0.300 . 1 . . . . . 120 ILE CB . 27231 1 512 . 1 1 121 121 ILE N N 15 119.764 0.300 . 1 . . . . . 120 ILE N . 27231 1 513 . 1 1 122 122 PRO C C 13 176.385 0.300 . 1 . . . . . 121 PRO C . 27231 1 514 . 1 1 122 122 PRO CA C 13 62.661 0.300 . 1 . . . . . 121 PRO CA . 27231 1 515 . 1 1 122 122 PRO CB C 13 31.215 0.300 . 1 . . . . . 121 PRO CB . 27231 1 516 . 1 1 123 123 GLU H H 1 8.388 0.020 . 1 . . . . . 122 GLU H . 27231 1 517 . 1 1 123 123 GLU CA C 13 54.056 0.300 . 1 . . . . . 122 GLU CA . 27231 1 518 . 1 1 123 123 GLU CB C 13 29.060 0.300 . 1 . . . . . 122 GLU CB . 27231 1 519 . 1 1 123 123 GLU N N 15 121.947 0.300 . 1 . . . . . 122 GLU N . 27231 1 520 . 1 1 124 124 PRO C C 13 177.031 0.300 . 1 . . . . . 123 PRO C . 27231 1 521 . 1 1 124 124 PRO CA C 13 62.798 0.300 . 1 . . . . . 123 PRO CA . 27231 1 522 . 1 1 124 124 PRO CB C 13 31.140 0.300 . 1 . . . . . 123 PRO CB . 27231 1 523 . 1 1 125 125 GLU H H 1 8.392 0.020 . 1 . . . . . 124 GLU H . 27231 1 524 . 1 1 125 125 GLU C C 13 176.835 0.300 . 1 . . . . . 124 GLU C . 27231 1 525 . 1 1 125 125 GLU CA C 13 56.425 0.300 . 1 . . . . . 124 GLU CA . 27231 1 526 . 1 1 125 125 GLU CB C 13 29.210 0.300 . 1 . . . . . 124 GLU CB . 27231 1 527 . 1 1 125 125 GLU N N 15 121.357 0.300 . 1 . . . . . 124 GLU N . 27231 1 528 . 1 1 126 126 LYS H H 1 8.173 0.020 . 1 . . . . . 125 LYS H . 27231 1 529 . 1 1 126 126 LYS C C 13 176.753 0.300 . 1 . . . . . 125 LYS C . 27231 1 530 . 1 1 126 126 LYS CA C 13 56.277 0.300 . 1 . . . . . 125 LYS CA . 27231 1 531 . 1 1 126 126 LYS CB C 13 31.914 0.300 . 1 . . . . . 125 LYS CB . 27231 1 532 . 1 1 126 126 LYS N N 15 122.740 0.300 . 1 . . . . . 125 LYS N . 27231 1 533 . 1 1 127 127 GLN H H 1 8.175 0.020 . 1 . . . . . 126 GLN H . 27231 1 534 . 1 1 127 127 GLN C C 13 175.984 0.300 . 1 . . . . . 126 GLN C . 27231 1 535 . 1 1 127 127 GLN CA C 13 55.691 0.300 . 1 . . . . . 126 GLN CA . 27231 1 536 . 1 1 127 127 GLN CB C 13 28.383 0.300 . 1 . . . . . 126 GLN CB . 27231 1 537 . 1 1 127 127 GLN N N 15 121.292 0.300 . 1 . . . . . 126 GLN N . 27231 1 538 . 1 1 128 128 ARG H H 1 8.172 0.020 . 1 . . . . . 127 ARG H . 27231 1 539 . 1 1 128 128 ARG C C 13 176.114 0.300 . 1 . . . . . 127 ARG C . 27231 1 540 . 1 1 128 128 ARG CA C 13 55.783 0.300 . 1 . . . . . 127 ARG CA . 27231 1 541 . 1 1 128 128 ARG CB C 13 29.605 0.300 . 1 . . . . . 127 ARG CB . 27231 1 542 . 1 1 128 128 ARG N N 15 122.831 0.300 . 1 . . . . . 127 ARG N . 27231 1 543 . 1 1 129 129 LEU H H 1 8.088 0.020 . 1 . . . . . 128 LEU H . 27231 1 544 . 1 1 129 129 LEU C C 13 177.130 0.300 . 1 . . . . . 128 LEU C . 27231 1 545 . 1 1 129 129 LEU CA C 13 54.634 0.300 . 1 . . . . . 128 LEU CA . 27231 1 546 . 1 1 129 129 LEU CB C 13 41.230 0.300 . 1 . . . . . 128 LEU CB . 27231 1 547 . 1 1 129 129 LEU N N 15 123.622 0.300 . 1 . . . . . 128 LEU N . 27231 1 548 . 1 1 130 130 GLU H H 1 8.181 0.020 . 1 . . . . . 129 GLU H . 27231 1 549 . 1 1 130 130 GLU CA C 13 56.091 0.300 . 1 . . . . . 129 GLU CA . 27231 1 550 . 1 1 130 130 GLU CB C 13 29.435 0.300 . 1 . . . . . 129 GLU CB . 27231 1 551 . 1 1 130 130 GLU N N 15 121.580 0.300 . 1 . . . . . 129 GLU N . 27231 1 552 . 1 1 132 132 HIS H H 1 7.863 0.020 . 1 . . . . . 131 HIS H . 27231 1 553 . 1 1 132 132 HIS CA C 13 56.924 0.300 . 1 . . . . . 131 HIS CA . 27231 1 554 . 1 1 132 132 HIS CB C 13 29.287 0.300 . 1 . . . . . 131 HIS CB . 27231 1 555 . 1 1 132 132 HIS N N 15 125.781 0.300 . 1 . . . . . 131 HIS N . 27231 1 stop_ save_