data_27184 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27184 _Entry.Title ; Backbone 1H, 13C and 15N resonance assignments of the OB domain of the single stranded DNA-binding protein hSSB2 (NABP1/OBFC1B) and chemical shift mapping of the DNA-binding interface ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-19 _Entry.Accession_date 2017-07-19 _Entry.Last_release_date 2017-07-20 _Entry.Original_release_date 2017-07-20 _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 Ruvini Kariawasam . . . . 27184 2 Maddison Knight . . . . 27184 3 Roland Gamsjaeger . . . . 27184 4 Liza Cubeddu . . . . 27184 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27184 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 361 27184 '15N chemical shifts' 118 27184 '1H chemical shifts' 118 27184 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 . . 2018-04-06 2017-07-19 update BMRB 'update entry citation' 27184 1 . . 2017-10-27 2017-07-19 original author 'original release' 27184 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27184 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29063999 _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C and 15N resonance assignments of the OB domain of the single stranded DNA-binding protein hSSB2 (NABP1/OBFC1B) and chemical shift mapping of the DNA-binding interface ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 107 _Citation.Page_last 111 _Citation.Year 2018 _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 Ruvini Kariawasam . . . . 27184 1 2 Maddison Knight . . . . 27184 1 3 Roland Gamsjaeger . . . . 27184 1 4 Liza Cubeddu . . . . 27184 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27184 _Assembly.ID 1 _Assembly.Name hSSB2 _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 hSSB2 1 $hSSB2 A . yes native no no . . . 27184 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hSSB2 _Entity.Sf_category entity _Entity.Sf_framecode hSSB2 _Entity.Entry_ID 27184 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hSSB2 _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 ; GPLGSMNRVNDPLIFIRDIK PGLKNLNVVFIVLEIGRVTK TKDGHEVRSCKVADKTGSIT ISVWDEIGGLIQPGDIIRLT RGYASMWKGCLTLYTGRGGE LQKIGEFCMVYSEVPNFSEP NPDYRGQQNK ; _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 130 _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 -4 GLY . 27184 1 2 -3 PRO . 27184 1 3 -2 LEU . 27184 1 4 -1 GLY . 27184 1 5 0 SER . 27184 1 6 1 MET . 27184 1 7 2 ASN . 27184 1 8 3 ARG . 27184 1 9 4 VAL . 27184 1 10 5 ASN . 27184 1 11 6 ASP . 27184 1 12 7 PRO . 27184 1 13 8 LEU . 27184 1 14 9 ILE . 27184 1 15 10 PHE . 27184 1 16 11 ILE . 27184 1 17 12 ARG . 27184 1 18 13 ASP . 27184 1 19 14 ILE . 27184 1 20 15 LYS . 27184 1 21 16 PRO . 27184 1 22 17 GLY . 27184 1 23 18 LEU . 27184 1 24 19 LYS . 27184 1 25 20 ASN . 27184 1 26 21 LEU . 27184 1 27 22 ASN . 27184 1 28 23 VAL . 27184 1 29 24 VAL . 27184 1 30 25 PHE . 27184 1 31 26 ILE . 27184 1 32 27 VAL . 27184 1 33 28 LEU . 27184 1 34 29 GLU . 27184 1 35 30 ILE . 27184 1 36 31 GLY . 27184 1 37 32 ARG . 27184 1 38 33 VAL . 27184 1 39 34 THR . 27184 1 40 35 LYS . 27184 1 41 36 THR . 27184 1 42 37 LYS . 27184 1 43 38 ASP . 27184 1 44 39 GLY . 27184 1 45 40 HIS . 27184 1 46 41 GLU . 27184 1 47 42 VAL . 27184 1 48 43 ARG . 27184 1 49 44 SER . 27184 1 50 45 CYS . 27184 1 51 46 LYS . 27184 1 52 47 VAL . 27184 1 53 48 ALA . 27184 1 54 49 ASP . 27184 1 55 50 LYS . 27184 1 56 51 THR . 27184 1 57 52 GLY . 27184 1 58 53 SER . 27184 1 59 54 ILE . 27184 1 60 55 THR . 27184 1 61 56 ILE . 27184 1 62 57 SER . 27184 1 63 58 VAL . 27184 1 64 59 TRP . 27184 1 65 60 ASP . 27184 1 66 61 GLU . 27184 1 67 62 ILE . 27184 1 68 63 GLY . 27184 1 69 64 GLY . 27184 1 70 65 LEU . 27184 1 71 66 ILE . 27184 1 72 67 GLN . 27184 1 73 68 PRO . 27184 1 74 69 GLY . 27184 1 75 70 ASP . 27184 1 76 71 ILE . 27184 1 77 72 ILE . 27184 1 78 73 ARG . 27184 1 79 74 LEU . 27184 1 80 75 THR . 27184 1 81 76 ARG . 27184 1 82 77 GLY . 27184 1 83 78 TYR . 27184 1 84 79 ALA . 27184 1 85 80 SER . 27184 1 86 81 MET . 27184 1 87 82 TRP . 27184 1 88 83 LYS . 27184 1 89 84 GLY . 27184 1 90 85 CYS . 27184 1 91 86 LEU . 27184 1 92 87 THR . 27184 1 93 88 LEU . 27184 1 94 89 TYR . 27184 1 95 90 THR . 27184 1 96 91 GLY . 27184 1 97 92 ARG . 27184 1 98 93 GLY . 27184 1 99 94 GLY . 27184 1 100 95 GLU . 27184 1 101 96 LEU . 27184 1 102 97 GLN . 27184 1 103 98 LYS . 27184 1 104 99 ILE . 27184 1 105 100 GLY . 27184 1 106 101 GLU . 27184 1 107 102 PHE . 27184 1 108 103 CYS . 27184 1 109 104 MET . 27184 1 110 105 VAL . 27184 1 111 106 TYR . 27184 1 112 107 SER . 27184 1 113 108 GLU . 27184 1 114 109 VAL . 27184 1 115 110 PRO . 27184 1 116 111 ASN . 27184 1 117 112 PHE . 27184 1 118 113 SER . 27184 1 119 114 GLU . 27184 1 120 115 PRO . 27184 1 121 116 ASN . 27184 1 122 117 PRO . 27184 1 123 118 ASP . 27184 1 124 119 TYR . 27184 1 125 120 ARG . 27184 1 126 121 GLY . 27184 1 127 122 GLN . 27184 1 128 123 GLN . 27184 1 129 124 ASN . 27184 1 130 125 LYS . 27184 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27184 1 . PRO 2 2 27184 1 . LEU 3 3 27184 1 . GLY 4 4 27184 1 . SER 5 5 27184 1 . MET 6 6 27184 1 . ASN 7 7 27184 1 . ARG 8 8 27184 1 . VAL 9 9 27184 1 . ASN 10 10 27184 1 . ASP 11 11 27184 1 . PRO 12 12 27184 1 . LEU 13 13 27184 1 . ILE 14 14 27184 1 . PHE 15 15 27184 1 . ILE 16 16 27184 1 . ARG 17 17 27184 1 . ASP 18 18 27184 1 . ILE 19 19 27184 1 . LYS 20 20 27184 1 . PRO 21 21 27184 1 . GLY 22 22 27184 1 . LEU 23 23 27184 1 . LYS 24 24 27184 1 . ASN 25 25 27184 1 . LEU 26 26 27184 1 . ASN 27 27 27184 1 . VAL 28 28 27184 1 . VAL 29 29 27184 1 . PHE 30 30 27184 1 . ILE 31 31 27184 1 . VAL 32 32 27184 1 . LEU 33 33 27184 1 . GLU 34 34 27184 1 . ILE 35 35 27184 1 . GLY 36 36 27184 1 . ARG 37 37 27184 1 . VAL 38 38 27184 1 . THR 39 39 27184 1 . LYS 40 40 27184 1 . THR 41 41 27184 1 . LYS 42 42 27184 1 . ASP 43 43 27184 1 . GLY 44 44 27184 1 . HIS 45 45 27184 1 . GLU 46 46 27184 1 . VAL 47 47 27184 1 . ARG 48 48 27184 1 . SER 49 49 27184 1 . CYS 50 50 27184 1 . LYS 51 51 27184 1 . VAL 52 52 27184 1 . ALA 53 53 27184 1 . ASP 54 54 27184 1 . LYS 55 55 27184 1 . THR 56 56 27184 1 . GLY 57 57 27184 1 . SER 58 58 27184 1 . ILE 59 59 27184 1 . THR 60 60 27184 1 . ILE 61 61 27184 1 . SER 62 62 27184 1 . VAL 63 63 27184 1 . TRP 64 64 27184 1 . ASP 65 65 27184 1 . GLU 66 66 27184 1 . ILE 67 67 27184 1 . GLY 68 68 27184 1 . GLY 69 69 27184 1 . LEU 70 70 27184 1 . ILE 71 71 27184 1 . GLN 72 72 27184 1 . PRO 73 73 27184 1 . GLY 74 74 27184 1 . ASP 75 75 27184 1 . ILE 76 76 27184 1 . ILE 77 77 27184 1 . ARG 78 78 27184 1 . LEU 79 79 27184 1 . THR 80 80 27184 1 . ARG 81 81 27184 1 . GLY 82 82 27184 1 . TYR 83 83 27184 1 . ALA 84 84 27184 1 . SER 85 85 27184 1 . MET 86 86 27184 1 . TRP 87 87 27184 1 . LYS 88 88 27184 1 . GLY 89 89 27184 1 . CYS 90 90 27184 1 . LEU 91 91 27184 1 . THR 92 92 27184 1 . LEU 93 93 27184 1 . TYR 94 94 27184 1 . THR 95 95 27184 1 . GLY 96 96 27184 1 . ARG 97 97 27184 1 . GLY 98 98 27184 1 . GLY 99 99 27184 1 . GLU 100 100 27184 1 . LEU 101 101 27184 1 . GLN 102 102 27184 1 . LYS 103 103 27184 1 . ILE 104 104 27184 1 . GLY 105 105 27184 1 . GLU 106 106 27184 1 . PHE 107 107 27184 1 . CYS 108 108 27184 1 . MET 109 109 27184 1 . VAL 110 110 27184 1 . TYR 111 111 27184 1 . SER 112 112 27184 1 . GLU 113 113 27184 1 . VAL 114 114 27184 1 . PRO 115 115 27184 1 . ASN 116 116 27184 1 . PHE 117 117 27184 1 . SER 118 118 27184 1 . GLU 119 119 27184 1 . PRO 120 120 27184 1 . ASN 121 121 27184 1 . PRO 122 122 27184 1 . ASP 123 123 27184 1 . TYR 124 124 27184 1 . ARG 125 125 27184 1 . GLY 126 126 27184 1 . GLN 127 127 27184 1 . GLN 128 128 27184 1 . ASN 129 129 27184 1 . LYS 130 130 27184 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 27184 _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 $hSSB2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27184 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 27184 _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 $hSSB2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGex6-P . . . 27184 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27184 _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 hSSB2 'natural abundance' . . 1 $hSSB2 . . 0.5 . . mM . . . . 27184 1 2 MES 'natural abundance' . . . . . . 10 . . mM . . . . 27184 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27184 1 4 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 27184 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 27184 _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' 50 . mM 27184 1 pH 6 . pH 27184 1 pressure 1 . atm 27184 1 temperature 298 . K 27184 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27184 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27184 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27184 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 27184 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27184 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 27184 _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 AMX . 800 . . . 27184 1 2 spectrometer_2 Bruker AMX . 600 . . . 27184 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 27184 _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 . . . . . . . . . . . . . . . . 27184 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27184 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27184 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27184 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27184 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27184 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27184 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27184 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 27184 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27184 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27184 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27184 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 27184 _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' . . . 27184 1 2 '2D 1H-15N HSQC' . . . 27184 1 3 '3D HN(CA)CO' . . . 27184 1 4 '3D HNCO' . . . 27184 1 5 '3D HNCACB' . . . 27184 1 6 '3D CBCA(CO)NH' . . . 27184 1 7 '3D 1H-15N NOESY' . . . 27184 1 8 '2D 1H-13C HSQC' . . . 27184 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 6 6 MET H H 1 8.057 0.008 . 1 . . . . . 1 MET H . 27184 1 2 . 1 1 6 6 MET C C 13 180.569 0 . 1 . . . . . 1 MET C . 27184 1 3 . 1 1 6 6 MET CA C 13 57.335 0 . 1 . . . . . 1 MET CA . 27184 1 4 . 1 1 6 6 MET CB C 13 33.878 0 . 1 . . . . . 1 MET CB . 27184 1 5 . 1 1 6 6 MET N N 15 127.102 0.07 . 1 . . . . . 1 MET N . 27184 1 6 . 1 1 7 7 ASN C C 13 176.049 0 . 1 . . . . . 2 ASN C . 27184 1 7 . 1 1 7 7 ASN CA C 13 53.508 0.054 . 1 . . . . . 2 ASN CA . 27184 1 8 . 1 1 7 7 ASN CB C 13 38.736 0.15 . 1 . . . . . 2 ASN CB . 27184 1 9 . 1 1 8 8 ARG H H 1 8.272 0.002 . 1 . . . . . 3 ARG H . 27184 1 10 . 1 1 8 8 ARG C C 13 176.1 0.07 . 1 . . . . . 3 ARG C . 27184 1 11 . 1 1 8 8 ARG CA C 13 56.272 0.021 . 1 . . . . . 3 ARG CA . 27184 1 12 . 1 1 8 8 ARG CB C 13 30.855 0.018 . 1 . . . . . 3 ARG CB . 27184 1 13 . 1 1 8 8 ARG N N 15 121.51 0.112 . 1 . . . . . 3 ARG N . 27184 1 14 . 1 1 9 9 VAL H H 1 8.271 0 . 1 . . . . . 4 VAL H . 27184 1 15 . 1 1 9 9 VAL C C 13 175.703 0.02 . 1 . . . . . 4 VAL C . 27184 1 16 . 1 1 9 9 VAL CA C 13 62.431 0.051 . 1 . . . . . 4 VAL CA . 27184 1 17 . 1 1 9 9 VAL CB C 13 32.593 0.104 . 1 . . . . . 4 VAL CB . 27184 1 18 . 1 1 9 9 VAL N N 15 121.59 0.034 . 1 . . . . . 4 VAL N . 27184 1 19 . 1 1 10 10 ASN H H 1 8.434 0.107 . 1 . . . . . 5 ASN H . 27184 1 20 . 1 1 10 10 ASN C C 13 174.452 0.018 . 1 . . . . . 5 ASN C . 27184 1 21 . 1 1 10 10 ASN CA C 13 53.095 0.085 . 1 . . . . . 5 ASN CA . 27184 1 22 . 1 1 10 10 ASN CB C 13 39.197 0.062 . 1 . . . . . 5 ASN CB . 27184 1 23 . 1 1 10 10 ASN N N 15 121.942 0.099 . 1 . . . . . 5 ASN N . 27184 1 24 . 1 1 11 11 ASP H H 1 8.096 0.001 . 1 . . . . . 6 ASP H . 27184 1 25 . 1 1 11 11 ASP C C 13 173.287 0 . 1 . . . . . 6 ASP C . 27184 1 26 . 1 1 11 11 ASP CA C 13 54.864 0 . 1 . . . . . 6 ASP CA . 27184 1 27 . 1 1 11 11 ASP CB C 13 40.792 0 . 1 . . . . . 6 ASP CB . 27184 1 28 . 1 1 11 11 ASP N N 15 122.148 0.023 . 1 . . . . . 6 ASP N . 27184 1 29 . 1 1 12 12 PRO C C 13 176.207 0 . 1 . . . . . 7 PRO C . 27184 1 30 . 1 1 12 12 PRO CA C 13 63.031 0.106 . 1 . . . . . 7 PRO CA . 27184 1 31 . 1 1 12 12 PRO CB C 13 32.112 0.097 . 1 . . . . . 7 PRO CB . 27184 1 32 . 1 1 13 13 LEU H H 1 8.098 0.002 . 1 . . . . . 8 LEU H . 27184 1 33 . 1 1 13 13 LEU C C 13 176.438 0.012 . 1 . . . . . 8 LEU C . 27184 1 34 . 1 1 13 13 LEU CA C 13 54.682 0.061 . 1 . . . . . 8 LEU CA . 27184 1 35 . 1 1 13 13 LEU CB C 13 43.535 0.056 . 1 . . . . . 8 LEU CB . 27184 1 36 . 1 1 13 13 LEU N N 15 122.87 0.096 . 1 . . . . . 8 LEU N . 27184 1 37 . 1 1 14 14 ILE H H 1 8.43 0.003 . 1 . . . . . 9 ILE H . 27184 1 38 . 1 1 14 14 ILE C C 13 174.201 0.091 . 1 . . . . . 9 ILE C . 27184 1 39 . 1 1 14 14 ILE CA C 13 58.93 0.046 . 1 . . . . . 9 ILE CA . 27184 1 40 . 1 1 14 14 ILE CB C 13 32.295 0 . 1 . . . . . 9 ILE CB . 27184 1 41 . 1 1 14 14 ILE N N 15 121.814 0.097 . 1 . . . . . 9 ILE N . 27184 1 42 . 1 1 15 15 PHE H H 1 8.61 0.003 . 1 . . . . . 10 PHE H . 27184 1 43 . 1 1 15 15 PHE C C 13 177.74 0.058 . 1 . . . . . 10 PHE C . 27184 1 44 . 1 1 15 15 PHE CA C 13 56.872 0.06 . 1 . . . . . 10 PHE CA . 27184 1 45 . 1 1 15 15 PHE CB C 13 40.821 0.078 . 1 . . . . . 10 PHE CB . 27184 1 46 . 1 1 15 15 PHE N N 15 121.099 0.107 . 1 . . . . . 10 PHE N . 27184 1 47 . 1 1 16 16 ILE H H 1 10.287 0.003 . 1 . . . . . 11 ILE H . 27184 1 48 . 1 1 16 16 ILE C C 13 177.848 0.076 . 1 . . . . . 11 ILE C . 27184 1 49 . 1 1 16 16 ILE CA C 13 66.162 0.028 . 1 . . . . . 11 ILE CA . 27184 1 50 . 1 1 16 16 ILE CB C 13 36.696 0 . 1 . . . . . 11 ILE CB . 27184 1 51 . 1 1 16 16 ILE N N 15 124.752 0.119 . 1 . . . . . 11 ILE N . 27184 1 52 . 1 1 17 17 ARG H H 1 8.177 0.002 . 1 . . . . . 12 ARG H . 27184 1 53 . 1 1 17 17 ARG C C 13 175.416 0.052 . 1 . . . . . 12 ARG C . 27184 1 54 . 1 1 17 17 ARG CA C 13 56.9 0.007 . 1 . . . . . 12 ARG CA . 27184 1 55 . 1 1 17 17 ARG CB C 13 30.104 0.005 . 1 . . . . . 12 ARG CB . 27184 1 56 . 1 1 17 17 ARG N N 15 114.969 0.083 . 1 . . . . . 12 ARG N . 27184 1 57 . 1 1 18 18 ASP H H 1 7.8 0.011 . 1 . . . . . 13 ASP H . 27184 1 58 . 1 1 18 18 ASP C C 13 175.647 0.029 . 1 . . . . . 13 ASP C . 27184 1 59 . 1 1 18 18 ASP CA C 13 54.701 0.159 . 1 . . . . . 13 ASP CA . 27184 1 60 . 1 1 18 18 ASP CB C 13 41.873 0.027 . 1 . . . . . 13 ASP CB . 27184 1 61 . 1 1 18 18 ASP N N 15 118.563 0.131 . 1 . . . . . 13 ASP N . 27184 1 62 . 1 1 19 19 ILE H H 1 7.483 0.005 . 1 . . . . . 14 ILE H . 27184 1 63 . 1 1 19 19 ILE C C 13 173.956 0.092 . 1 . . . . . 14 ILE C . 27184 1 64 . 1 1 19 19 ILE CA C 13 64.599 0.035 . 1 . . . . . 14 ILE CA . 27184 1 65 . 1 1 19 19 ILE CB C 13 36.764 0.135 . 1 . . . . . 14 ILE CB . 27184 1 66 . 1 1 19 19 ILE N N 15 121.393 0.066 . 1 . . . . . 14 ILE N . 27184 1 67 . 1 1 20 20 LYS H H 1 6.311 0.002 . 1 . . . . . 15 LYS H . 27184 1 68 . 1 1 20 20 LYS C C 13 172.687 0 . 1 . . . . . 15 LYS C . 27184 1 69 . 1 1 20 20 LYS CA C 13 52.304 0 . 1 . . . . . 15 LYS CA . 27184 1 70 . 1 1 20 20 LYS CB C 13 34.136 0 . 1 . . . . . 15 LYS CB . 27184 1 71 . 1 1 20 20 LYS N N 15 124.4 0.057 . 1 . . . . . 15 LYS N . 27184 1 72 . 1 1 21 21 PRO C C 13 176.874 0.013 . 1 . . . . . 16 PRO C . 27184 1 73 . 1 1 21 21 PRO CA C 13 63.56 0 . 1 . . . . . 16 PRO CA . 27184 1 74 . 1 1 21 21 PRO CB C 13 31.536 0 . 1 . . . . . 16 PRO CB . 27184 1 75 . 1 1 22 22 GLY H H 1 8.413 0.002 . 1 . . . . . 17 GLY H . 27184 1 76 . 1 1 22 22 GLY C C 13 174.438 0.107 . 1 . . . . . 17 GLY C . 27184 1 77 . 1 1 22 22 GLY CA C 13 45.304 0.025 . 1 . . . . . 17 GLY CA . 27184 1 78 . 1 1 22 22 GLY N N 15 111.42 0.048 . 1 . . . . . 17 GLY N . 27184 1 79 . 1 1 23 23 LEU H H 1 7.34 0.013 . 1 . . . . . 18 LEU H . 27184 1 80 . 1 1 23 23 LEU C C 13 176.225 0.003 . 1 . . . . . 18 LEU C . 27184 1 81 . 1 1 23 23 LEU CA C 13 55.356 0.014 . 1 . . . . . 18 LEU CA . 27184 1 82 . 1 1 23 23 LEU CB C 13 43.542 0.073 . 1 . . . . . 18 LEU CB . 27184 1 83 . 1 1 23 23 LEU N N 15 119.816 0.034 . 1 . . . . . 18 LEU N . 27184 1 84 . 1 1 24 24 LYS H H 1 8.349 0.009 . 1 . . . . . 19 LYS H . 27184 1 85 . 1 1 24 24 LYS C C 13 174.68 0.044 . 1 . . . . . 19 LYS C . 27184 1 86 . 1 1 24 24 LYS CA C 13 54.614 0.126 . 1 . . . . . 19 LYS CA . 27184 1 87 . 1 1 24 24 LYS CB C 13 35.585 0.083 . 1 . . . . . 19 LYS CB . 27184 1 88 . 1 1 24 24 LYS N N 15 119.958 0.056 . 1 . . . . . 19 LYS N . 27184 1 89 . 1 1 25 25 ASN H H 1 8.714 0.002 . 1 . . . . . 20 ASN H . 27184 1 90 . 1 1 25 25 ASN C C 13 174.516 0.086 . 1 . . . . . 20 ASN C . 27184 1 91 . 1 1 25 25 ASN CA C 13 54.297 0.042 . 1 . . . . . 20 ASN CA . 27184 1 92 . 1 1 25 25 ASN CB C 13 37.433 0.031 . 1 . . . . . 20 ASN CB . 27184 1 93 . 1 1 25 25 ASN N N 15 116.539 0.058 . 1 . . . . . 20 ASN N . 27184 1 94 . 1 1 26 26 LEU H H 1 8.812 0.002 . 1 . . . . . 21 LEU H . 27184 1 95 . 1 1 26 26 LEU C C 13 175.265 0 . 1 . . . . . 21 LEU C . 27184 1 96 . 1 1 26 26 LEU CA C 13 54.799 0.162 . 1 . . . . . 21 LEU CA . 27184 1 97 . 1 1 26 26 LEU CB C 13 43.319 0.097 . 1 . . . . . 21 LEU CB . 27184 1 98 . 1 1 26 26 LEU N N 15 118.114 0.098 . 1 . . . . . 21 LEU N . 27184 1 99 . 1 1 27 27 ASN H H 1 8.06 0.003 . 1 . . . . . 22 ASN H . 27184 1 100 . 1 1 27 27 ASN C C 13 173.032 0.006 . 1 . . . . . 22 ASN C . 27184 1 101 . 1 1 27 27 ASN CA C 13 51.577 0.056 . 1 . . . . . 22 ASN CA . 27184 1 102 . 1 1 27 27 ASN CB C 13 39.912 0.023 . 1 . . . . . 22 ASN CB . 27184 1 103 . 1 1 27 27 ASN N N 15 122.389 0.08 . 1 . . . . . 22 ASN N . 27184 1 104 . 1 1 28 28 VAL H H 1 8.564 0.003 . 1 . . . . . 23 VAL H . 27184 1 105 . 1 1 28 28 VAL C C 13 172.617 0.059 . 1 . . . . . 23 VAL C . 27184 1 106 . 1 1 28 28 VAL CA C 13 59.971 0.056 . 1 . . . . . 23 VAL CA . 27184 1 107 . 1 1 28 28 VAL CB C 13 36.441 0.013 . 1 . . . . . 23 VAL CB . 27184 1 108 . 1 1 28 28 VAL N N 15 121.268 0.077 . 1 . . . . . 23 VAL N . 27184 1 109 . 1 1 29 29 VAL H H 1 8.261 0.006 . 1 . . . . . 24 VAL H . 27184 1 110 . 1 1 29 29 VAL C C 13 174.206 0.02 . 1 . . . . . 24 VAL C . 27184 1 111 . 1 1 29 29 VAL CA C 13 60.464 0.028 . 1 . . . . . 24 VAL CA . 27184 1 112 . 1 1 29 29 VAL CB C 13 33.62 0.083 . 1 . . . . . 24 VAL CB . 27184 1 113 . 1 1 29 29 VAL N N 15 126.024 0.091 . 1 . . . . . 24 VAL N . 27184 1 114 . 1 1 30 30 PHE H H 1 8.413 0.001 . 1 . . . . . 25 PHE H . 27184 1 115 . 1 1 30 30 PHE C C 13 172.478 0.02 . 1 . . . . . 25 PHE C . 27184 1 116 . 1 1 30 30 PHE CA C 13 54.325 0.077 . 1 . . . . . 25 PHE CA . 27184 1 117 . 1 1 30 30 PHE CB C 13 41.7 0.036 . 1 . . . . . 25 PHE CB . 27184 1 118 . 1 1 30 30 PHE N N 15 121.591 0.047 . 1 . . . . . 25 PHE N . 27184 1 119 . 1 1 31 31 ILE H H 1 9.483 0.003 . 1 . . . . . 26 ILE H . 27184 1 120 . 1 1 31 31 ILE C C 13 174.824 0.039 . 1 . . . . . 26 ILE C . 27184 1 121 . 1 1 31 31 ILE CA C 13 57.538 0.059 . 1 . . . . . 26 ILE CA . 27184 1 122 . 1 1 31 31 ILE CB C 13 41.197 0.017 . 1 . . . . . 26 ILE CB . 27184 1 123 . 1 1 31 31 ILE N N 15 117.88 0.092 . 1 . . . . . 26 ILE N . 27184 1 124 . 1 1 32 32 VAL H H 1 8.632 0.004 . 1 . . . . . 27 VAL H . 27184 1 125 . 1 1 32 32 VAL C C 13 175.727 0.038 . 1 . . . . . 27 VAL C . 27184 1 126 . 1 1 32 32 VAL CA C 13 63.212 0.079 . 1 . . . . . 27 VAL CA . 27184 1 127 . 1 1 32 32 VAL CB C 13 31.398 0.041 . 1 . . . . . 27 VAL CB . 27184 1 128 . 1 1 32 32 VAL N N 15 125.908 0.071 . 1 . . . . . 27 VAL N . 27184 1 129 . 1 1 33 33 LEU H H 1 9.26 0.01 . 1 . . . . . 28 LEU H . 27184 1 130 . 1 1 33 33 LEU C C 13 177.003 0.035 . 1 . . . . . 28 LEU C . 27184 1 131 . 1 1 33 33 LEU CA C 13 55.781 0.068 . 1 . . . . . 28 LEU CA . 27184 1 132 . 1 1 33 33 LEU CB C 13 42.469 0 . 1 . . . . . 28 LEU CB . 27184 1 133 . 1 1 33 33 LEU N N 15 128.097 0.07 . 1 . . . . . 28 LEU N . 27184 1 134 . 1 1 34 34 GLU H H 1 7.692 0.002 . 1 . . . . . 29 GLU H . 27184 1 135 . 1 1 34 34 GLU C C 13 174.144 0.043 . 1 . . . . . 29 GLU C . 27184 1 136 . 1 1 34 34 GLU CA C 13 55.245 0.116 . 1 . . . . . 29 GLU CA . 27184 1 137 . 1 1 34 34 GLU CB C 13 34.239 0.056 . 1 . . . . . 29 GLU CB . 27184 1 138 . 1 1 34 34 GLU N N 15 115.724 0.044 . 1 . . . . . 29 GLU N . 27184 1 139 . 1 1 35 35 ILE H H 1 8.938 0.004 . 1 . . . . . 30 ILE H . 27184 1 140 . 1 1 35 35 ILE C C 13 175.717 0.028 . 1 . . . . . 30 ILE C . 27184 1 141 . 1 1 35 35 ILE CA C 13 60.467 0.004 . 1 . . . . . 30 ILE CA . 27184 1 142 . 1 1 35 35 ILE CB C 13 39.568 0.057 . 1 . . . . . 30 ILE CB . 27184 1 143 . 1 1 35 35 ILE N N 15 123.474 0.125 . 1 . . . . . 30 ILE N . 27184 1 144 . 1 1 36 36 GLY H H 1 8.118 0.149 . 1 . . . . . 31 GLY H . 27184 1 145 . 1 1 36 36 GLY C C 13 172.926 0.042 . 1 . . . . . 31 GLY C . 27184 1 146 . 1 1 36 36 GLY CA C 13 44.649 0.114 . 1 . . . . . 31 GLY CA . 27184 1 147 . 1 1 36 36 GLY N N 15 115.531 0.053 . 1 . . . . . 31 GLY N . 27184 1 148 . 1 1 37 37 ARG H H 1 8.182 0.001 . 1 . . . . . 32 ARG H . 27184 1 149 . 1 1 37 37 ARG C C 13 176.64 0.042 . 1 . . . . . 32 ARG C . 27184 1 150 . 1 1 37 37 ARG CA C 13 55.933 0.174 . 1 . . . . . 32 ARG CA . 27184 1 151 . 1 1 37 37 ARG CB C 13 31.051 0.089 . 1 . . . . . 32 ARG CB . 27184 1 152 . 1 1 37 37 ARG N N 15 117.969 0.057 . 1 . . . . . 32 ARG N . 27184 1 153 . 1 1 38 38 VAL H H 1 8.408 0.003 . 1 . . . . . 33 VAL H . 27184 1 154 . 1 1 38 38 VAL C C 13 176.077 0.066 . 1 . . . . . 33 VAL C . 27184 1 155 . 1 1 38 38 VAL CA C 13 62.547 0.068 . 1 . . . . . 33 VAL CA . 27184 1 156 . 1 1 38 38 VAL CB C 13 32.775 0.054 . 1 . . . . . 33 VAL CB . 27184 1 157 . 1 1 38 38 VAL N N 15 123.061 0.072 . 1 . . . . . 33 VAL N . 27184 1 158 . 1 1 39 39 THR H H 1 8.871 0.024 . 1 . . . . . 34 THR H . 27184 1 159 . 1 1 39 39 THR C C 13 172.659 0.062 . 1 . . . . . 34 THR C . 27184 1 160 . 1 1 39 39 THR CA C 13 60.907 0.037 . 1 . . . . . 34 THR CA . 27184 1 161 . 1 1 39 39 THR CB C 13 71.247 0.124 . 1 . . . . . 34 THR CB . 27184 1 162 . 1 1 39 39 THR N N 15 121.911 0.099 . 1 . . . . . 34 THR N . 27184 1 163 . 1 1 40 40 LYS H H 1 8.484 0.003 . 1 . . . . . 35 LYS H . 27184 1 164 . 1 1 40 40 LYS C C 13 177.734 0.091 . 1 . . . . . 35 LYS C . 27184 1 165 . 1 1 40 40 LYS CA C 13 54.806 0.118 . 1 . . . . . 35 LYS CA . 27184 1 166 . 1 1 40 40 LYS CB C 13 34.166 0.013 . 1 . . . . . 35 LYS CB . 27184 1 167 . 1 1 40 40 LYS N N 15 122.815 0.08 . 1 . . . . . 35 LYS N . 27184 1 168 . 1 1 41 41 THR H H 1 8.896 0.003 . 1 . . . . . 36 THR H . 27184 1 169 . 1 1 41 41 THR C C 13 176.86 0 . 1 . . . . . 36 THR C . 27184 1 170 . 1 1 41 41 THR CA C 13 60.864 0.054 . 1 . . . . . 36 THR CA . 27184 1 171 . 1 1 41 41 THR CB C 13 71.103 0.051 . 1 . . . . . 36 THR CB . 27184 1 172 . 1 1 41 41 THR N N 15 115.58 0.072 . 1 . . . . . 36 THR N . 27184 1 173 . 1 1 42 42 LYS H H 1 9.074 0.007 . 1 . . . . . 37 LYS H . 27184 1 174 . 1 1 42 42 LYS C C 13 176.821 0.065 . 1 . . . . . 37 LYS C . 27184 1 175 . 1 1 42 42 LYS CA C 13 58.55 0.012 . 1 . . . . . 37 LYS CA . 27184 1 176 . 1 1 42 42 LYS CB C 13 32.103 0 . 1 . . . . . 37 LYS CB . 27184 1 177 . 1 1 42 42 LYS N N 15 122.013 0.052 . 1 . . . . . 37 LYS N . 27184 1 178 . 1 1 43 43 ASP H H 1 8.185 0.005 . 1 . . . . . 38 ASP H . 27184 1 179 . 1 1 43 43 ASP C C 13 176.29 0.091 . 1 . . . . . 38 ASP C . 27184 1 180 . 1 1 43 43 ASP CA C 13 52.948 0.131 . 1 . . . . . 38 ASP CA . 27184 1 181 . 1 1 43 43 ASP CB C 13 39.706 0.096 . 1 . . . . . 38 ASP CB . 27184 1 182 . 1 1 43 43 ASP N N 15 114.721 0.144 . 1 . . . . . 38 ASP N . 27184 1 183 . 1 1 44 44 GLY H H 1 7.812 0.007 . 1 . . . . . 39 GLY H . 27184 1 184 . 1 1 44 44 GLY C C 13 174.529 0.026 . 1 . . . . . 39 GLY C . 27184 1 185 . 1 1 44 44 GLY CA C 13 46.33 0.079 . 1 . . . . . 39 GLY CA . 27184 1 186 . 1 1 44 44 GLY N N 15 106.299 0.039 . 1 . . . . . 39 GLY N . 27184 1 187 . 1 1 45 45 HIS H H 1 7.786 0.002 . 1 . . . . . 40 HIS H . 27184 1 188 . 1 1 45 45 HIS C C 13 173.943 0.056 . 1 . . . . . 40 HIS C . 27184 1 189 . 1 1 45 45 HIS CA C 13 55.317 0.034 . 1 . . . . . 40 HIS CA . 27184 1 190 . 1 1 45 45 HIS CB C 13 29.976 0.083 . 1 . . . . . 40 HIS CB . 27184 1 191 . 1 1 45 45 HIS N N 15 117.653 0.122 . 1 . . . . . 40 HIS N . 27184 1 192 . 1 1 46 46 GLU H H 1 8.83 0.002 . 1 . . . . . 41 GLU H . 27184 1 193 . 1 1 46 46 GLU C C 13 175.08 0.023 . 1 . . . . . 41 GLU C . 27184 1 194 . 1 1 46 46 GLU CA C 13 55.721 0.122 . 1 . . . . . 41 GLU CA . 27184 1 195 . 1 1 46 46 GLU CB C 13 32.241 0.098 . 1 . . . . . 41 GLU CB . 27184 1 196 . 1 1 46 46 GLU N N 15 121.293 0.042 . 1 . . . . . 41 GLU N . 27184 1 197 . 1 1 47 47 VAL H H 1 8.797 0.002 . 1 . . . . . 42 VAL H . 27184 1 198 . 1 1 47 47 VAL C C 13 174.412 0 . 1 . . . . . 42 VAL C . 27184 1 199 . 1 1 47 47 VAL CA C 13 60.219 0.129 . 1 . . . . . 42 VAL CA . 27184 1 200 . 1 1 47 47 VAL CB C 13 35.043 0.007 . 1 . . . . . 42 VAL CB . 27184 1 201 . 1 1 47 47 VAL N N 15 120.761 0.11 . 1 . . . . . 42 VAL N . 27184 1 202 . 1 1 48 48 ARG H H 1 8.44 0.003 . 1 . . . . . 43 ARG H . 27184 1 203 . 1 1 48 48 ARG C C 13 174.659 0.106 . 1 . . . . . 43 ARG C . 27184 1 204 . 1 1 48 48 ARG CA C 13 54.487 0.1 . 1 . . . . . 43 ARG CA . 27184 1 205 . 1 1 48 48 ARG CB C 13 34.413 0 . 1 . . . . . 43 ARG CB . 27184 1 206 . 1 1 48 48 ARG N N 15 123.182 0.045 . 1 . . . . . 43 ARG N . 27184 1 207 . 1 1 49 49 SER H H 1 8.906 0.001 . 1 . . . . . 44 SER H . 27184 1 208 . 1 1 49 49 SER C C 13 174.793 0.09 . 1 . . . . . 44 SER C . 27184 1 209 . 1 1 49 49 SER CA C 13 57.557 0.137 . 1 . . . . . 44 SER CA . 27184 1 210 . 1 1 49 49 SER CB C 13 63.732 0.05 . 1 . . . . . 44 SER CB . 27184 1 211 . 1 1 49 49 SER N N 15 120.302 0.062 . 1 . . . . . 44 SER N . 27184 1 212 . 1 1 50 50 CYS H H 1 9.29 0.003 . 1 . . . . . 45 CYS H . 27184 1 213 . 1 1 50 50 CYS C C 13 172.176 0.023 . 1 . . . . . 45 CYS C . 27184 1 214 . 1 1 50 50 CYS CA C 13 56.722 0.052 . 1 . . . . . 45 CYS CA . 27184 1 215 . 1 1 50 50 CYS CB C 13 29.728 0.106 . 1 . . . . . 45 CYS CB . 27184 1 216 . 1 1 50 50 CYS N N 15 122.89 0.105 . 1 . . . . . 45 CYS N . 27184 1 217 . 1 1 51 51 LYS H H 1 8.6 0.002 . 1 . . . . . 46 LYS H . 27184 1 218 . 1 1 51 51 LYS C C 13 175.186 0.082 . 1 . . . . . 46 LYS C . 27184 1 219 . 1 1 51 51 LYS CA C 13 55.9 0.038 . 1 . . . . . 46 LYS CA . 27184 1 220 . 1 1 51 51 LYS CB C 13 34.574 0.111 . 1 . . . . . 46 LYS CB . 27184 1 221 . 1 1 51 51 LYS N N 15 125.843 0.085 . 1 . . . . . 46 LYS N . 27184 1 222 . 1 1 52 52 VAL H H 1 9.08 0.002 . 1 . . . . . 47 VAL H . 27184 1 223 . 1 1 52 52 VAL C C 13 173.716 0.046 . 1 . . . . . 47 VAL C . 27184 1 224 . 1 1 52 52 VAL CA C 13 58.606 0.095 . 1 . . . . . 47 VAL CA . 27184 1 225 . 1 1 52 52 VAL CB C 13 33.98 0 . 1 . . . . . 47 VAL CB . 27184 1 226 . 1 1 52 52 VAL N N 15 122.603 0.09 . 1 . . . . . 47 VAL N . 27184 1 227 . 1 1 53 53 ALA H H 1 8.745 0.006 . 1 . . . . . 48 ALA H . 27184 1 228 . 1 1 53 53 ALA C C 13 175.195 0.036 . 1 . . . . . 48 ALA C . 27184 1 229 . 1 1 53 53 ALA CA C 13 51.869 0.109 . 1 . . . . . 48 ALA CA . 27184 1 230 . 1 1 53 53 ALA CB C 13 25.409 0.064 . 1 . . . . . 48 ALA CB . 27184 1 231 . 1 1 53 53 ALA N N 15 120.01 0.158 . 1 . . . . . 48 ALA N . 27184 1 232 . 1 1 54 54 ASP H H 1 9.335 0.003 . 1 . . . . . 49 ASP H . 27184 1 233 . 1 1 54 54 ASP C C 13 178.296 0.027 . 1 . . . . . 49 ASP C . 27184 1 234 . 1 1 54 54 ASP CA C 13 53.117 0.08 . 1 . . . . . 49 ASP CA . 27184 1 235 . 1 1 54 54 ASP CB C 13 42.483 0.008 . 1 . . . . . 49 ASP CB . 27184 1 236 . 1 1 54 54 ASP N N 15 120.144 0.08 . 1 . . . . . 49 ASP N . 27184 1 237 . 1 1 55 55 LYS H H 1 9.097 0.004 . 1 . . . . . 50 LYS H . 27184 1 238 . 1 1 55 55 LYS C C 13 176.035 0.064 . 1 . . . . . 50 LYS C . 27184 1 239 . 1 1 55 55 LYS CA C 13 59.594 0.036 . 1 . . . . . 50 LYS CA . 27184 1 240 . 1 1 55 55 LYS CB C 13 31.613 0.01 . 1 . . . . . 50 LYS CB . 27184 1 241 . 1 1 55 55 LYS N N 15 117.33 0.126 . 1 . . . . . 50 LYS N . 27184 1 242 . 1 1 56 56 THR H H 1 9.714 0.005 . 1 . . . . . 51 THR H . 27184 1 243 . 1 1 56 56 THR C C 13 172.791 0.022 . 1 . . . . . 51 THR C . 27184 1 244 . 1 1 56 56 THR CA C 13 62.155 0.106 . 1 . . . . . 51 THR CA . 27184 1 245 . 1 1 56 56 THR CB C 13 69.63 0.147 . 1 . . . . . 51 THR CB . 27184 1 246 . 1 1 56 56 THR N N 15 112.633 0.09 . 1 . . . . . 51 THR N . 27184 1 247 . 1 1 57 57 GLY H H 1 7.737 0.004 . 1 . . . . . 52 GLY H . 27184 1 248 . 1 1 57 57 GLY C C 13 171.052 0.009 . 1 . . . . . 52 GLY C . 27184 1 249 . 1 1 57 57 GLY CA C 13 45.232 0.096 . 1 . . . . . 52 GLY CA . 27184 1 250 . 1 1 57 57 GLY N N 15 110.08 0.049 . 1 . . . . . 52 GLY N . 27184 1 251 . 1 1 58 58 SER H H 1 8.903 0.003 . 1 . . . . . 53 SER H . 27184 1 252 . 1 1 58 58 SER C C 13 172.542 0.053 . 1 . . . . . 53 SER C . 27184 1 253 . 1 1 58 58 SER CA C 13 56.043 0.139 . 1 . . . . . 53 SER CA . 27184 1 254 . 1 1 58 58 SER CB C 13 68.72 0.079 . 1 . . . . . 53 SER CB . 27184 1 255 . 1 1 58 58 SER N N 15 108.21 0.1 . 1 . . . . . 53 SER N . 27184 1 256 . 1 1 59 59 ILE H H 1 9.125 0.002 . 1 . . . . . 54 ILE H . 27184 1 257 . 1 1 59 59 ILE C C 13 172.185 0.019 . 1 . . . . . 54 ILE C . 27184 1 258 . 1 1 59 59 ILE CA C 13 60.65 0 . 1 . . . . . 54 ILE CA . 27184 1 259 . 1 1 59 59 ILE CB C 13 42.46 0 . 1 . . . . . 54 ILE CB . 27184 1 260 . 1 1 59 59 ILE N N 15 119.297 0.086 . 1 . . . . . 54 ILE N . 27184 1 261 . 1 1 60 60 THR H H 1 8.831 0.011 . 1 . . . . . 55 THR H . 27184 1 262 . 1 1 60 60 THR C C 13 173.199 0.08 . 1 . . . . . 55 THR C . 27184 1 263 . 1 1 60 60 THR CA C 13 61.844 0.071 . 1 . . . . . 55 THR CA . 27184 1 264 . 1 1 60 60 THR CB C 13 69.937 0.094 . 1 . . . . . 55 THR CB . 27184 1 265 . 1 1 60 60 THR N N 15 120.423 0.086 . 1 . . . . . 55 THR N . 27184 1 266 . 1 1 61 61 ILE H H 1 9.03 0.004 . 1 . . . . . 56 ILE H . 27184 1 267 . 1 1 61 61 ILE C C 13 173.139 0.044 . 1 . . . . . 56 ILE C . 27184 1 268 . 1 1 61 61 ILE CA C 13 56.619 0.179 . 1 . . . . . 56 ILE CA . 27184 1 269 . 1 1 61 61 ILE CB C 13 41.398 0 . 1 . . . . . 56 ILE CB . 27184 1 270 . 1 1 61 61 ILE N N 15 122.676 0.035 . 1 . . . . . 56 ILE N . 27184 1 271 . 1 1 62 62 SER H H 1 8.152 0.002 . 1 . . . . . 57 SER H . 27184 1 272 . 1 1 62 62 SER C C 13 173.972 0.029 . 1 . . . . . 57 SER C . 27184 1 273 . 1 1 62 62 SER CA C 13 56.733 0.039 . 1 . . . . . 57 SER CA . 27184 1 274 . 1 1 62 62 SER CB C 13 63.755 0.05 . 1 . . . . . 57 SER CB . 27184 1 275 . 1 1 62 62 SER N N 15 121.861 0.079 . 1 . . . . . 57 SER N . 27184 1 276 . 1 1 63 63 VAL H H 1 8.96 0.003 . 1 . . . . . 58 VAL H . 27184 1 277 . 1 1 63 63 VAL C C 13 175.574 0.074 . 1 . . . . . 58 VAL C . 27184 1 278 . 1 1 63 63 VAL CA C 13 61.358 0.133 . 1 . . . . . 58 VAL CA . 27184 1 279 . 1 1 63 63 VAL CB C 13 34.008 0 . 1 . . . . . 58 VAL CB . 27184 1 280 . 1 1 63 63 VAL N N 15 125.622 0.093 . 1 . . . . . 58 VAL N . 27184 1 281 . 1 1 64 64 TRP H H 1 8.618 0.004 . 1 . . . . . 59 TRP H . 27184 1 282 . 1 1 64 64 TRP C C 13 176.142 0.096 . 1 . . . . . 59 TRP C . 27184 1 283 . 1 1 64 64 TRP CA C 13 57.199 0.103 . 1 . . . . . 59 TRP CA . 27184 1 284 . 1 1 64 64 TRP CB C 13 30.966 0 . 1 . . . . . 59 TRP CB . 27184 1 285 . 1 1 64 64 TRP N N 15 129.814 0.069 . 1 . . . . . 59 TRP N . 27184 1 286 . 1 1 65 65 ASP H H 1 9.335 0.003 . 1 . . . . . 60 ASP H . 27184 1 287 . 1 1 65 65 ASP C C 13 176.794 0 . 1 . . . . . 60 ASP C . 27184 1 288 . 1 1 65 65 ASP CA C 13 56.264 0.046 . 1 . . . . . 60 ASP CA . 27184 1 289 . 1 1 65 65 ASP CB C 13 40.474 0 . 1 . . . . . 60 ASP CB . 27184 1 290 . 1 1 65 65 ASP N N 15 120.048 0.068 . 1 . . . . . 60 ASP N . 27184 1 291 . 1 1 66 66 GLU H H 1 9.012 0.002 . 1 . . . . . 61 GLU H . 27184 1 292 . 1 1 66 66 GLU C C 13 178.552 0.033 . 1 . . . . . 61 GLU C . 27184 1 293 . 1 1 66 66 GLU CA C 13 59.43 0.037 . 1 . . . . . 61 GLU CA . 27184 1 294 . 1 1 66 66 GLU CB C 13 29.066 0 . 1 . . . . . 61 GLU CB . 27184 1 295 . 1 1 66 66 GLU N N 15 120.319 0.094 . 1 . . . . . 61 GLU N . 27184 1 296 . 1 1 67 67 ILE H H 1 8.116 0.002 . 1 . . . . . 62 ILE H . 27184 1 297 . 1 1 67 67 ILE C C 13 177.397 0.02 . 1 . . . . . 62 ILE C . 27184 1 298 . 1 1 67 67 ILE CA C 13 62.961 0 . 1 . . . . . 62 ILE CA . 27184 1 299 . 1 1 67 67 ILE CB C 13 37.924 0 . 1 . . . . . 62 ILE CB . 27184 1 300 . 1 1 67 67 ILE N N 15 119.214 0.046 . 1 . . . . . 62 ILE N . 27184 1 301 . 1 1 68 68 GLY H H 1 7.958 0.004 . 1 . . . . . 63 GLY H . 27184 1 302 . 1 1 68 68 GLY C C 13 174.512 0.059 . 1 . . . . . 63 GLY C . 27184 1 303 . 1 1 68 68 GLY CA C 13 46.668 0.075 . 1 . . . . . 63 GLY CA . 27184 1 304 . 1 1 68 68 GLY N N 15 107.917 0.059 . 1 . . . . . 63 GLY N . 27184 1 305 . 1 1 69 69 GLY H H 1 7.862 0.001 . 1 . . . . . 64 GLY H . 27184 1 306 . 1 1 69 69 GLY C C 13 174.228 0.077 . 1 . . . . . 64 GLY C . 27184 1 307 . 1 1 69 69 GLY CA C 13 45.541 0.003 . 1 . . . . . 64 GLY CA . 27184 1 308 . 1 1 69 69 GLY N N 15 106.061 0.047 . 1 . . . . . 64 GLY N . 27184 1 309 . 1 1 70 70 LEU H H 1 7.772 0.004 . 1 . . . . . 65 LEU H . 27184 1 310 . 1 1 70 70 LEU C C 13 177.357 0 . 1 . . . . . 65 LEU C . 27184 1 311 . 1 1 70 70 LEU CA C 13 54.993 0.015 . 1 . . . . . 65 LEU CA . 27184 1 312 . 1 1 70 70 LEU CB C 13 42.637 0 . 1 . . . . . 65 LEU CB . 27184 1 313 . 1 1 70 70 LEU N N 15 120.541 0.034 . 1 . . . . . 65 LEU N . 27184 1 314 . 1 1 71 71 ILE H H 1 7.209 0.004 . 1 . . . . . 66 ILE H . 27184 1 315 . 1 1 71 71 ILE C C 13 174.002 0 . 1 . . . . . 66 ILE C . 27184 1 316 . 1 1 71 71 ILE CA C 13 61.707 0.052 . 1 . . . . . 66 ILE CA . 27184 1 317 . 1 1 71 71 ILE CB C 13 39.811 0.09 . 1 . . . . . 66 ILE CB . 27184 1 318 . 1 1 71 71 ILE N N 15 119.639 0.034 . 1 . . . . . 66 ILE N . 27184 1 319 . 1 1 72 72 GLN H H 1 8.721 0.002 . 1 . . . . . 67 GLN H . 27184 1 320 . 1 1 72 72 GLN C C 13 172.715 0 . 1 . . . . . 67 GLN C . 27184 1 321 . 1 1 72 72 GLN CA C 13 52.652 0 . 1 . . . . . 67 GLN CA . 27184 1 322 . 1 1 72 72 GLN CB C 13 30.87 0 . 1 . . . . . 67 GLN CB . 27184 1 323 . 1 1 72 72 GLN N N 15 123.4 0.07 . 1 . . . . . 67 GLN N . 27184 1 324 . 1 1 73 73 PRO C C 13 177.038 0.061 . 1 . . . . . 68 PRO C . 27184 1 325 . 1 1 73 73 PRO CA C 13 63.455 0.102 . 1 . . . . . 68 PRO CA . 27184 1 326 . 1 1 73 73 PRO CB C 13 30.902 0 . 1 . . . . . 68 PRO CB . 27184 1 327 . 1 1 74 74 GLY H H 1 9.355 0.01 . 1 . . . . . 69 GLY H . 27184 1 328 . 1 1 74 74 GLY C C 13 173.406 0 . 1 . . . . . 69 GLY C . 27184 1 329 . 1 1 74 74 GLY CA C 13 44.634 0.067 . 1 . . . . . 69 GLY CA . 27184 1 330 . 1 1 74 74 GLY N N 15 114.293 0.094 . 1 . . . . . 69 GLY N . 27184 1 331 . 1 1 75 75 ASP H H 1 7.885 0.002 . 1 . . . . . 70 ASP H . 27184 1 332 . 1 1 75 75 ASP C C 13 174.697 0.114 . 1 . . . . . 70 ASP C . 27184 1 333 . 1 1 75 75 ASP CA C 13 56.31 0.051 . 1 . . . . . 70 ASP CA . 27184 1 334 . 1 1 75 75 ASP CB C 13 41.266 0.031 . 1 . . . . . 70 ASP CB . 27184 1 335 . 1 1 75 75 ASP N N 15 121.732 0.106 . 1 . . . . . 70 ASP N . 27184 1 336 . 1 1 76 76 ILE H H 1 8.339 0.006 . 1 . . . . . 71 ILE H . 27184 1 337 . 1 1 76 76 ILE C C 13 175.152 0.054 . 1 . . . . . 71 ILE C . 27184 1 338 . 1 1 76 76 ILE CA C 13 60.118 0.111 . 1 . . . . . 71 ILE CA . 27184 1 339 . 1 1 76 76 ILE CB C 13 37.348 0 . 1 . . . . . 71 ILE CB . 27184 1 340 . 1 1 76 76 ILE N N 15 122.393 0.075 . 1 . . . . . 71 ILE N . 27184 1 341 . 1 1 77 77 ILE H H 1 9.144 0.004 . 1 . . . . . 72 ILE H . 27184 1 342 . 1 1 77 77 ILE C C 13 172.679 0.028 . 1 . . . . . 72 ILE C . 27184 1 343 . 1 1 77 77 ILE CA C 13 57.393 0.141 . 1 . . . . . 72 ILE CA . 27184 1 344 . 1 1 77 77 ILE CB C 13 40.998 0.119 . 1 . . . . . 72 ILE CB . 27184 1 345 . 1 1 77 77 ILE N N 15 129.211 0.048 . 1 . . . . . 72 ILE N . 27184 1 346 . 1 1 78 78 ARG H H 1 8.812 0.004 . 1 . . . . . 73 ARG H . 27184 1 347 . 1 1 78 78 ARG C C 13 174.918 0.017 . 1 . . . . . 73 ARG C . 27184 1 348 . 1 1 78 78 ARG CA C 13 54.082 0.129 . 1 . . . . . 73 ARG CA . 27184 1 349 . 1 1 78 78 ARG CB C 13 32.688 0 . 1 . . . . . 73 ARG CB . 27184 1 350 . 1 1 78 78 ARG N N 15 123.754 0.097 . 1 . . . . . 73 ARG N . 27184 1 351 . 1 1 79 79 LEU H H 1 9.263 0.005 . 1 . . . . . 74 LEU H . 27184 1 352 . 1 1 79 79 LEU C C 13 174.905 0.028 . 1 . . . . . 74 LEU C . 27184 1 353 . 1 1 79 79 LEU CA C 13 53.705 0.01 . 1 . . . . . 74 LEU CA . 27184 1 354 . 1 1 79 79 LEU CB C 13 44.38 0 . 1 . . . . . 74 LEU CB . 27184 1 355 . 1 1 79 79 LEU N N 15 133.396 0.051 . 1 . . . . . 74 LEU N . 27184 1 356 . 1 1 80 80 THR H H 1 8.816 0.004 . 1 . . . . . 75 THR H . 27184 1 357 . 1 1 80 80 THR C C 13 173.231 0.093 . 1 . . . . . 75 THR C . 27184 1 358 . 1 1 80 80 THR CA C 13 60.091 0.056 . 1 . . . . . 75 THR CA . 27184 1 359 . 1 1 80 80 THR CB C 13 71.291 0.007 . 1 . . . . . 75 THR CB . 27184 1 360 . 1 1 80 80 THR N N 15 117.998 0.092 . 1 . . . . . 75 THR N . 27184 1 361 . 1 1 81 81 ARG H H 1 8.142 0.003 . 1 . . . . . 76 ARG H . 27184 1 362 . 1 1 81 81 ARG C C 13 176.617 0.014 . 1 . . . . . 76 ARG C . 27184 1 363 . 1 1 81 81 ARG CA C 13 57.719 0.05 . 1 . . . . . 76 ARG CA . 27184 1 364 . 1 1 81 81 ARG CB C 13 27.854 0.092 . 1 . . . . . 76 ARG CB . 27184 1 365 . 1 1 81 81 ARG N N 15 116.827 0.1 . 1 . . . . . 76 ARG N . 27184 1 366 . 1 1 82 82 GLY H H 1 9.263 0.004 . 1 . . . . . 77 GLY H . 27184 1 367 . 1 1 82 82 GLY C C 13 172.278 0.045 . 1 . . . . . 77 GLY C . 27184 1 368 . 1 1 82 82 GLY CA C 13 45.116 0.071 . 1 . . . . . 77 GLY CA . 27184 1 369 . 1 1 82 82 GLY N N 15 106.647 0.097 . 1 . . . . . 77 GLY N . 27184 1 370 . 1 1 83 83 TYR H H 1 8.504 0.002 . 1 . . . . . 78 TYR H . 27184 1 371 . 1 1 83 83 TYR C C 13 171.778 0.024 . 1 . . . . . 78 TYR C . 27184 1 372 . 1 1 83 83 TYR CA C 13 56.759 0.069 . 1 . . . . . 78 TYR CA . 27184 1 373 . 1 1 83 83 TYR CB C 13 40.6 0.07 . 1 . . . . . 78 TYR CB . 27184 1 374 . 1 1 83 83 TYR N N 15 114.607 0.066 . 1 . . . . . 78 TYR N . 27184 1 375 . 1 1 84 84 ALA H H 1 8.245 0.002 . 1 . . . . . 79 ALA H . 27184 1 376 . 1 1 84 84 ALA C C 13 177.486 0.031 . 1 . . . . . 79 ALA C . 27184 1 377 . 1 1 84 84 ALA CA C 13 50.112 0.028 . 1 . . . . . 79 ALA CA . 27184 1 378 . 1 1 84 84 ALA CB C 13 23.478 0.019 . 1 . . . . . 79 ALA CB . 27184 1 379 . 1 1 84 84 ALA N N 15 121.16 0.09 . 1 . . . . . 79 ALA N . 27184 1 380 . 1 1 85 85 SER H H 1 9.207 0.001 . 1 . . . . . 80 SER H . 27184 1 381 . 1 1 85 85 SER C C 13 172.51 0.082 . 1 . . . . . 80 SER C . 27184 1 382 . 1 1 85 85 SER CA C 13 57.151 0.104 . 1 . . . . . 80 SER CA . 27184 1 383 . 1 1 85 85 SER CB C 13 66.024 0.069 . 1 . . . . . 80 SER CB . 27184 1 384 . 1 1 85 85 SER N N 15 116.654 0.055 . 1 . . . . . 80 SER N . 27184 1 385 . 1 1 86 86 MET H H 1 8.77 0.003 . 1 . . . . . 81 MET H . 27184 1 386 . 1 1 86 86 MET C C 13 176.715 0.013 . 1 . . . . . 81 MET C . 27184 1 387 . 1 1 86 86 MET CA C 13 54.034 0.037 . 1 . . . . . 81 MET CA . 27184 1 388 . 1 1 86 86 MET CB C 13 31.972 0.018 . 1 . . . . . 81 MET CB . 27184 1 389 . 1 1 86 86 MET N N 15 120.889 0.075 . 1 . . . . . 81 MET N . 27184 1 390 . 1 1 87 87 TRP H H 1 8.948 0.005 . 1 . . . . . 82 TRP H . 27184 1 391 . 1 1 87 87 TRP C C 13 175.531 0.055 . 1 . . . . . 82 TRP C . 27184 1 392 . 1 1 87 87 TRP CA C 13 56.492 0 . 1 . . . . . 82 TRP CA . 27184 1 393 . 1 1 87 87 TRP CB C 13 31 0.057 . 1 . . . . . 82 TRP CB . 27184 1 394 . 1 1 87 87 TRP N N 15 126.383 0.049 . 1 . . . . . 82 TRP N . 27184 1 395 . 1 1 88 88 LYS H H 1 9.058 0.004 . 1 . . . . . 83 LYS H . 27184 1 396 . 1 1 88 88 LYS C C 13 175.808 0.191 . 1 . . . . . 83 LYS C . 27184 1 397 . 1 1 88 88 LYS CA C 13 56.599 0.19 . 1 . . . . . 83 LYS CA . 27184 1 398 . 1 1 88 88 LYS CB C 13 29.63 0.024 . 1 . . . . . 83 LYS CB . 27184 1 399 . 1 1 88 88 LYS N N 15 128.185 0.064 . 1 . . . . . 83 LYS N . 27184 1 400 . 1 1 89 89 GLY H H 1 8.408 0.001 . 1 . . . . . 84 GLY H . 27184 1 401 . 1 1 89 89 GLY C C 13 173.474 0.129 . 1 . . . . . 84 GLY C . 27184 1 402 . 1 1 89 89 GLY CA C 13 45.26 0.06 . 1 . . . . . 84 GLY CA . 27184 1 403 . 1 1 89 89 GLY N N 15 102.711 0.038 . 1 . . . . . 84 GLY N . 27184 1 404 . 1 1 90 90 CYS H H 1 7.764 0.002 . 1 . . . . . 85 CYS H . 27184 1 405 . 1 1 90 90 CYS C C 13 175.846 0 . 1 . . . . . 85 CYS C . 27184 1 406 . 1 1 90 90 CYS CA C 13 57.11 0.069 . 1 . . . . . 85 CYS CA . 27184 1 407 . 1 1 90 90 CYS CB C 13 30.078 0.056 . 1 . . . . . 85 CYS CB . 27184 1 408 . 1 1 90 90 CYS N N 15 117.434 0.026 . 1 . . . . . 85 CYS N . 27184 1 409 . 1 1 91 91 LEU H H 1 9.427 0.02 . 1 . . . . . 86 LEU H . 27184 1 410 . 1 1 91 91 LEU C C 13 174.55 0 . 1 . . . . . 86 LEU C . 27184 1 411 . 1 1 91 91 LEU CA C 13 57.311 0.048 . 1 . . . . . 86 LEU CA . 27184 1 412 . 1 1 91 91 LEU CB C 13 42.489 0 . 1 . . . . . 86 LEU CB . 27184 1 413 . 1 1 91 91 LEU N N 15 133.415 0.056 . 1 . . . . . 86 LEU N . 27184 1 414 . 1 1 92 92 THR H H 1 8.916 0.004 . 1 . . . . . 87 THR H . 27184 1 415 . 1 1 92 92 THR C C 13 170.813 0.017 . 1 . . . . . 87 THR C . 27184 1 416 . 1 1 92 92 THR CA C 13 62.634 0.083 . 1 . . . . . 87 THR CA . 27184 1 417 . 1 1 92 92 THR CB C 13 72.328 0 . 1 . . . . . 87 THR CB . 27184 1 418 . 1 1 92 92 THR N N 15 125.496 0.088 . 1 . . . . . 87 THR N . 27184 1 419 . 1 1 93 93 LEU H H 1 8.431 0.003 . 1 . . . . . 88 LEU H . 27184 1 420 . 1 1 93 93 LEU C C 13 173.204 0.042 . 1 . . . . . 88 LEU C . 27184 1 421 . 1 1 93 93 LEU CA C 13 53.139 0.085 . 1 . . . . . 88 LEU CA . 27184 1 422 . 1 1 93 93 LEU CB C 13 44.607 0.013 . 1 . . . . . 88 LEU CB . 27184 1 423 . 1 1 93 93 LEU N N 15 126.288 0.065 . 1 . . . . . 88 LEU N . 27184 1 424 . 1 1 94 94 TYR H H 1 8.791 0.005 . 1 . . . . . 89 TYR H . 27184 1 425 . 1 1 94 94 TYR C C 13 175.813 0.043 . 1 . . . . . 89 TYR C . 27184 1 426 . 1 1 94 94 TYR CA C 13 57.08 0.055 . 1 . . . . . 89 TYR CA . 27184 1 427 . 1 1 94 94 TYR CB C 13 41.748 0.068 . 1 . . . . . 89 TYR CB . 27184 1 428 . 1 1 94 94 TYR N N 15 120.204 0.145 . 1 . . . . . 89 TYR N . 27184 1 429 . 1 1 95 95 THR H H 1 8.329 0.003 . 1 . . . . . 90 THR H . 27184 1 430 . 1 1 95 95 THR C C 13 176.052 0.051 . 1 . . . . . 90 THR C . 27184 1 431 . 1 1 95 95 THR CA C 13 62.892 0.049 . 1 . . . . . 90 THR CA . 27184 1 432 . 1 1 95 95 THR CB C 13 68.637 0 . 1 . . . . . 90 THR CB . 27184 1 433 . 1 1 95 95 THR N N 15 109.173 0.105 . 1 . . . . . 90 THR N . 27184 1 434 . 1 1 96 96 GLY H H 1 7.935 0.002 . 1 . . . . . 91 GLY H . 27184 1 435 . 1 1 96 96 GLY C C 13 173.615 0.056 . 1 . . . . . 91 GLY C . 27184 1 436 . 1 1 96 96 GLY CA C 13 44.931 0.117 . 1 . . . . . 91 GLY CA . 27184 1 437 . 1 1 96 96 GLY N N 15 109.895 0.095 . 1 . . . . . 91 GLY N . 27184 1 438 . 1 1 97 97 ARG H H 1 8.529 0.005 . 1 . . . . . 92 ARG H . 27184 1 439 . 1 1 97 97 ARG C C 13 177.842 0.004 . 1 . . . . . 92 ARG C . 27184 1 440 . 1 1 97 97 ARG CA C 13 57.593 0.085 . 1 . . . . . 92 ARG CA . 27184 1 441 . 1 1 97 97 ARG CB C 13 29.509 0 . 1 . . . . . 92 ARG CB . 27184 1 442 . 1 1 97 97 ARG N N 15 120.547 0.086 . 1 . . . . . 92 ARG N . 27184 1 443 . 1 1 98 98 GLY H H 1 8.77 0.002 . 1 . . . . . 93 GLY H . 27184 1 444 . 1 1 98 98 GLY C C 13 174.683 0.073 . 1 . . . . . 93 GLY C . 27184 1 445 . 1 1 98 98 GLY CA C 13 45.136 0.07 . 1 . . . . . 93 GLY CA . 27184 1 446 . 1 1 98 98 GLY N N 15 110.105 0.034 . 1 . . . . . 93 GLY N . 27184 1 447 . 1 1 99 99 GLY H H 1 7.691 0.002 . 1 . . . . . 94 GLY H . 27184 1 448 . 1 1 99 99 GLY C C 13 172.568 0.077 . 1 . . . . . 94 GLY C . 27184 1 449 . 1 1 99 99 GLY CA C 13 45.356 0.035 . 1 . . . . . 94 GLY CA . 27184 1 450 . 1 1 99 99 GLY N N 15 108.935 0.069 . 1 . . . . . 94 GLY N . 27184 1 451 . 1 1 100 100 GLU H H 1 8.328 0.003 . 1 . . . . . 95 GLU H . 27184 1 452 . 1 1 100 100 GLU C C 13 174.079 0.029 . 1 . . . . . 95 GLU C . 27184 1 453 . 1 1 100 100 GLU CA C 13 55.171 0.066 . 1 . . . . . 95 GLU CA . 27184 1 454 . 1 1 100 100 GLU CB C 13 33.873 0.094 . 1 . . . . . 95 GLU CB . 27184 1 455 . 1 1 100 100 GLU N N 15 118.605 0.045 . 1 . . . . . 95 GLU N . 27184 1 456 . 1 1 101 101 LEU H H 1 8.388 0.004 . 1 . . . . . 96 LEU H . 27184 1 457 . 1 1 101 101 LEU C C 13 174.148 0.128 . 1 . . . . . 96 LEU C . 27184 1 458 . 1 1 101 101 LEU CA C 13 53.882 0.015 . 1 . . . . . 96 LEU CA . 27184 1 459 . 1 1 101 101 LEU CB C 13 43.656 0.111 . 1 . . . . . 96 LEU CB . 27184 1 460 . 1 1 101 101 LEU N N 15 121.809 0.082 . 1 . . . . . 96 LEU N . 27184 1 461 . 1 1 102 102 GLN H H 1 8.444 0.003 . 1 . . . . . 97 GLN H . 27184 1 462 . 1 1 102 102 GLN C C 13 174.296 0.079 . 1 . . . . . 97 GLN C . 27184 1 463 . 1 1 102 102 GLN CA C 13 54.051 0.037 . 1 . . . . . 97 GLN CA . 27184 1 464 . 1 1 102 102 GLN CB C 13 31.884 0.176 . 1 . . . . . 97 GLN CB . 27184 1 465 . 1 1 102 102 GLN N N 15 121.45 0.086 . 1 . . . . . 97 GLN N . 27184 1 466 . 1 1 103 103 LYS H H 1 9.043 0.003 . 1 . . . . . 98 LYS H . 27184 1 467 . 1 1 103 103 LYS C C 13 177.136 0.007 . 1 . . . . . 98 LYS C . 27184 1 468 . 1 1 103 103 LYS CA C 13 57.283 0.075 . 1 . . . . . 98 LYS CA . 27184 1 469 . 1 1 103 103 LYS CB C 13 32.397 0 . 1 . . . . . 98 LYS CB . 27184 1 470 . 1 1 103 103 LYS N N 15 128.148 0.052 . 1 . . . . . 98 LYS N . 27184 1 471 . 1 1 104 104 ILE H H 1 9.139 0.006 . 1 . . . . . 99 ILE H . 27184 1 472 . 1 1 104 104 ILE C C 13 175.661 0.002 . 1 . . . . . 99 ILE C . 27184 1 473 . 1 1 104 104 ILE CA C 13 60.935 0.13 . 1 . . . . . 99 ILE CA . 27184 1 474 . 1 1 104 104 ILE CB C 13 39.265 0.001 . 1 . . . . . 99 ILE CB . 27184 1 475 . 1 1 104 104 ILE N N 15 122.1 0.067 . 1 . . . . . 99 ILE N . 27184 1 476 . 1 1 105 105 GLY H H 1 7.728 0.003 . 1 . . . . . 100 GLY H . 27184 1 477 . 1 1 105 105 GLY C C 13 171.159 0.045 . 1 . . . . . 100 GLY C . 27184 1 478 . 1 1 105 105 GLY CA C 13 45.461 0.022 . 1 . . . . . 100 GLY CA . 27184 1 479 . 1 1 105 105 GLY N N 15 109.904 0.05 . 1 . . . . . 100 GLY N . 27184 1 480 . 1 1 106 106 GLU H H 1 8.52 0.006 . 1 . . . . . 101 GLU H . 27184 1 481 . 1 1 106 106 GLU C C 13 176.78 0 . 1 . . . . . 101 GLU C . 27184 1 482 . 1 1 106 106 GLU CA C 13 55.707 0.093 . 1 . . . . . 101 GLU CA . 27184 1 483 . 1 1 106 106 GLU CB C 13 24.86 0 . 1 . . . . . 101 GLU CB . 27184 1 484 . 1 1 106 106 GLU N N 15 117.601 0.04 . 1 . . . . . 101 GLU N . 27184 1 485 . 1 1 107 107 PHE H H 1 8.372 0.003 . 1 . . . . . 102 PHE H . 27184 1 486 . 1 1 107 107 PHE C C 13 176.69 0 . 1 . . . . . 102 PHE C . 27184 1 487 . 1 1 107 107 PHE CA C 13 53.119 0 . 1 . . . . . 102 PHE CA . 27184 1 488 . 1 1 107 107 PHE CB C 13 39.055 0 . 1 . . . . . 102 PHE CB . 27184 1 489 . 1 1 107 107 PHE N N 15 119.754 0.047 . 1 . . . . . 102 PHE N . 27184 1 490 . 1 1 108 108 CYS H H 1 8.797 0.002 . 1 . . . . . 103 CYS H . 27184 1 491 . 1 1 108 108 CYS C C 13 173.249 0.07 . 1 . . . . . 103 CYS C . 27184 1 492 . 1 1 108 108 CYS CA C 13 57.605 0.009 . 1 . . . . . 103 CYS CA . 27184 1 493 . 1 1 108 108 CYS CB C 13 26.654 0.048 . 1 . . . . . 103 CYS CB . 27184 1 494 . 1 1 108 108 CYS N N 15 121.069 0.145 . 1 . . . . . 103 CYS N . 27184 1 495 . 1 1 109 109 MET H H 1 7.947 0.002 . 1 . . . . . 104 MET H . 27184 1 496 . 1 1 109 109 MET C C 13 174.262 0.072 . 1 . . . . . 104 MET C . 27184 1 497 . 1 1 109 109 MET CA C 13 55.581 0.126 . 1 . . . . . 104 MET CA . 27184 1 498 . 1 1 109 109 MET CB C 13 36.52 0.108 . 1 . . . . . 104 MET CB . 27184 1 499 . 1 1 109 109 MET N N 15 123.338 0.112 . 1 . . . . . 104 MET N . 27184 1 500 . 1 1 110 110 VAL H H 1 8.462 0.016 . 1 . . . . . 105 VAL H . 27184 1 501 . 1 1 110 110 VAL C C 13 174.678 0.003 . 1 . . . . . 105 VAL C . 27184 1 502 . 1 1 110 110 VAL CA C 13 63.069 0.065 . 1 . . . . . 105 VAL CA . 27184 1 503 . 1 1 110 110 VAL CB C 13 31.706 0.034 . 1 . . . . . 105 VAL CB . 27184 1 504 . 1 1 110 110 VAL N N 15 126.796 0.182 . 1 . . . . . 105 VAL N . 27184 1 505 . 1 1 111 111 TYR H H 1 7.908 0.007 . 1 . . . . . 106 TYR H . 27184 1 506 . 1 1 111 111 TYR C C 13 172.853 0.04 . 1 . . . . . 106 TYR C . 27184 1 507 . 1 1 111 111 TYR CA C 13 55.239 0.077 . 1 . . . . . 106 TYR CA . 27184 1 508 . 1 1 111 111 TYR CB C 13 40.615 0.047 . 1 . . . . . 106 TYR CB . 27184 1 509 . 1 1 111 111 TYR N N 15 120.48 0.06 . 1 . . . . . 106 TYR N . 27184 1 510 . 1 1 112 112 SER H H 1 8.431 0.001 . 1 . . . . . 107 SER H . 27184 1 511 . 1 1 112 112 SER C C 13 173.471 0.108 . 1 . . . . . 107 SER C . 27184 1 512 . 1 1 112 112 SER CA C 13 56.116 0.042 . 1 . . . . . 107 SER CA . 27184 1 513 . 1 1 112 112 SER CB C 13 65.475 0.069 . 1 . . . . . 107 SER CB . 27184 1 514 . 1 1 112 112 SER N N 15 115.571 0.107 . 1 . . . . . 107 SER N . 27184 1 515 . 1 1 113 113 GLU H H 1 9.145 0.003 . 1 . . . . . 108 GLU H . 27184 1 516 . 1 1 113 113 GLU C C 13 176.262 0.077 . 1 . . . . . 108 GLU C . 27184 1 517 . 1 1 113 113 GLU CA C 13 58.258 0.125 . 1 . . . . . 108 GLU CA . 27184 1 518 . 1 1 113 113 GLU CB C 13 30.458 0.054 . 1 . . . . . 108 GLU CB . 27184 1 519 . 1 1 113 113 GLU N N 15 122.324 0.098 . 1 . . . . . 108 GLU N . 27184 1 520 . 1 1 114 114 VAL H H 1 7.631 0.019 . 1 . . . . . 109 VAL H . 27184 1 521 . 1 1 114 114 VAL C C 13 173.701 0 . 1 . . . . . 109 VAL C . 27184 1 522 . 1 1 114 114 VAL CA C 13 57.621 0 . 1 . . . . . 109 VAL CA . 27184 1 523 . 1 1 114 114 VAL CB C 13 33.816 0 . 1 . . . . . 109 VAL CB . 27184 1 524 . 1 1 114 114 VAL N N 15 113.849 0.059 . 1 . . . . . 109 VAL N . 27184 1 525 . 1 1 115 115 PRO C C 13 173.298 0.005 . 1 . . . . . 110 PRO C . 27184 1 526 . 1 1 115 115 PRO CA C 13 62.497 0.024 . 1 . . . . . 110 PRO CA . 27184 1 527 . 1 1 115 115 PRO CB C 13 33.921 0.18 . 1 . . . . . 110 PRO CB . 27184 1 528 . 1 1 116 116 ASN H H 1 8.405 0.003 . 1 . . . . . 111 ASN H . 27184 1 529 . 1 1 116 116 ASN C C 13 177.476 0.006 . 1 . . . . . 111 ASN C . 27184 1 530 . 1 1 116 116 ASN CA C 13 50.915 0.061 . 1 . . . . . 111 ASN CA . 27184 1 531 . 1 1 116 116 ASN CB C 13 38.053 0.046 . 1 . . . . . 111 ASN CB . 27184 1 532 . 1 1 116 116 ASN N N 15 117.524 0.101 . 1 . . . . . 111 ASN N . 27184 1 533 . 1 1 117 117 PHE H H 1 9.55 0.016 . 1 . . . . . 112 PHE H . 27184 1 534 . 1 1 117 117 PHE C C 13 176.827 0.019 . 1 . . . . . 112 PHE C . 27184 1 535 . 1 1 117 117 PHE CA C 13 61.581 0.115 . 1 . . . . . 112 PHE CA . 27184 1 536 . 1 1 117 117 PHE CB C 13 38.261 0.069 . 1 . . . . . 112 PHE CB . 27184 1 537 . 1 1 117 117 PHE N N 15 125.287 0.053 . 1 . . . . . 112 PHE N . 27184 1 538 . 1 1 118 118 SER H H 1 8.299 0.005 . 1 . . . . . 113 SER H . 27184 1 539 . 1 1 118 118 SER C C 13 173.317 0 . 1 . . . . . 113 SER C . 27184 1 540 . 1 1 118 118 SER CA C 13 59.337 0.066 . 1 . . . . . 113 SER CA . 27184 1 541 . 1 1 118 118 SER CB C 13 63.888 0.079 . 1 . . . . . 113 SER CB . 27184 1 542 . 1 1 118 118 SER N N 15 115.44 0.087 . 1 . . . . . 113 SER N . 27184 1 543 . 1 1 119 119 GLU H H 1 7.146 0.003 . 1 . . . . . 114 GLU H . 27184 1 544 . 1 1 119 119 GLU C C 13 174.791 0 . 1 . . . . . 114 GLU C . 27184 1 545 . 1 1 119 119 GLU CA C 13 54.997 0 . 1 . . . . . 114 GLU CA . 27184 1 546 . 1 1 119 119 GLU CB C 13 29.539 0 . 1 . . . . . 114 GLU CB . 27184 1 547 . 1 1 119 119 GLU N N 15 122.416 0.072 . 1 . . . . . 114 GLU N . 27184 1 548 . 1 1 120 120 PRO C C 13 176.666 0 . 1 . . . . . 115 PRO C . 27184 1 549 . 1 1 120 120 PRO CA C 13 63.295 0.091 . 1 . . . . . 115 PRO CA . 27184 1 550 . 1 1 120 120 PRO CB C 13 31.797 0.001 . 1 . . . . . 115 PRO CB . 27184 1 551 . 1 1 121 121 ASN H H 1 8.779 0.005 . 1 . . . . . 116 ASN H . 27184 1 552 . 1 1 121 121 ASN C C 13 174.786 0 . 1 . . . . . 116 ASN C . 27184 1 553 . 1 1 121 121 ASN CA C 13 51.143 0 . 1 . . . . . 116 ASN CA . 27184 1 554 . 1 1 121 121 ASN CB C 13 39.245 0 . 1 . . . . . 116 ASN CB . 27184 1 555 . 1 1 121 121 ASN N N 15 121.649 0.083 . 1 . . . . . 116 ASN N . 27184 1 556 . 1 1 122 122 PRO C C 13 176.903 0 . 1 . . . . . 117 PRO C . 27184 1 557 . 1 1 122 122 PRO CA C 13 64.231 0.104 . 1 . . . . . 117 PRO CA . 27184 1 558 . 1 1 122 122 PRO CB C 13 32.094 0.026 . 1 . . . . . 117 PRO CB . 27184 1 559 . 1 1 123 123 ASP H H 1 8.288 0.004 . 1 . . . . . 118 ASP H . 27184 1 560 . 1 1 123 123 ASP C C 13 176.308 0.115 . 1 . . . . . 118 ASP C . 27184 1 561 . 1 1 123 123 ASP CA C 13 54.696 0.124 . 1 . . . . . 118 ASP CA . 27184 1 562 . 1 1 123 123 ASP CB C 13 40.67 0.091 . 1 . . . . . 118 ASP CB . 27184 1 563 . 1 1 123 123 ASP N N 15 118.024 0.095 . 1 . . . . . 118 ASP N . 27184 1 564 . 1 1 124 124 TYR H H 1 7.876 0.002 . 1 . . . . . 119 TYR H . 27184 1 565 . 1 1 124 124 TYR C C 13 176.118 0.046 . 1 . . . . . 119 TYR C . 27184 1 566 . 1 1 124 124 TYR CA C 13 58.765 0.145 . 1 . . . . . 119 TYR CA . 27184 1 567 . 1 1 124 124 TYR CB C 13 38.336 0.012 . 1 . . . . . 119 TYR CB . 27184 1 568 . 1 1 124 124 TYR N N 15 120.744 0.037 . 1 . . . . . 119 TYR N . 27184 1 569 . 1 1 125 125 ARG H H 1 8.033 0.002 . 1 . . . . . 120 ARG H . 27184 1 570 . 1 1 125 125 ARG C C 13 176.657 0.048 . 1 . . . . . 120 ARG C . 27184 1 571 . 1 1 125 125 ARG CA C 13 56.22 0.07 . 1 . . . . . 120 ARG CA . 27184 1 572 . 1 1 125 125 ARG CB C 13 30.619 0.012 . 1 . . . . . 120 ARG CB . 27184 1 573 . 1 1 125 125 ARG N N 15 123.48 0.05 . 1 . . . . . 120 ARG N . 27184 1 574 . 1 1 126 126 GLY H H 1 7.689 0.001 . 1 . . . . . 121 GLY H . 27184 1 575 . 1 1 126 126 GLY C C 13 173.873 0.085 . 1 . . . . . 121 GLY C . 27184 1 576 . 1 1 126 126 GLY CA C 13 45.339 0.024 . 1 . . . . . 121 GLY CA . 27184 1 577 . 1 1 126 126 GLY N N 15 108.352 0.074 . 1 . . . . . 121 GLY N . 27184 1 578 . 1 1 127 127 GLN H H 1 8.185 0.003 . 1 . . . . . 122 GLN H . 27184 1 579 . 1 1 127 127 GLN C C 13 175.83 0.125 . 1 . . . . . 122 GLN C . 27184 1 580 . 1 1 127 127 GLN CA C 13 56.022 0.053 . 1 . . . . . 122 GLN CA . 27184 1 581 . 1 1 127 127 GLN CB C 13 29.471 0.015 . 1 . . . . . 122 GLN CB . 27184 1 582 . 1 1 127 127 GLN N N 15 119.466 0.048 . 1 . . . . . 122 GLN N . 27184 1 583 . 1 1 128 128 GLN H H 1 8.443 0.006 . 1 . . . . . 123 GLN H . 27184 1 584 . 1 1 128 128 GLN C C 13 175.582 0.059 . 1 . . . . . 123 GLN C . 27184 1 585 . 1 1 128 128 GLN CA C 13 55.921 0.13 . 1 . . . . . 123 GLN CA . 27184 1 586 . 1 1 128 128 GLN CB C 13 29.466 0.054 . 1 . . . . . 123 GLN CB . 27184 1 587 . 1 1 128 128 GLN N N 15 121.047 0.048 . 1 . . . . . 123 GLN N . 27184 1 588 . 1 1 129 129 ASN H H 1 8.445 0.002 . 1 . . . . . 124 ASN H . 27184 1 589 . 1 1 129 129 ASN C C 13 173.814 0.112 . 1 . . . . . 124 ASN C . 27184 1 590 . 1 1 129 129 ASN CA C 13 53.448 0.082 . 1 . . . . . 124 ASN CA . 27184 1 591 . 1 1 129 129 ASN CB C 13 38.96 0.021 . 1 . . . . . 124 ASN CB . 27184 1 592 . 1 1 129 129 ASN N N 15 120.128 0.021 . 1 . . . . . 124 ASN N . 27184 1 593 . 1 1 130 130 LYS H H 1 7.885 0.001 . 1 . . . . . 125 LYS H . 27184 1 594 . 1 1 130 130 LYS C C 13 181.19 0 . 1 . . . . . 125 LYS C . 27184 1 595 . 1 1 130 130 LYS CA C 13 57.765 0 . 1 . . . . . 125 LYS CA . 27184 1 596 . 1 1 130 130 LYS CB C 13 33.81 0 . 1 . . . . . 125 LYS CB . 27184 1 597 . 1 1 130 130 LYS N N 15 126.43 0.021 . 1 . . . . . 125 LYS N . 27184 1 stop_ save_