data_26752 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26752 _Entry.Title ; Backbone 1H, 13C and 15N resonance assignments of the OB domain of the single stranded DNA binding protein hSSB1 (NABP2/OBFC2B) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-07 _Entry.Accession_date 2016-03-07 _Entry.Last_release_date 2016-07-14 _Entry.Original_release_date 2016-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ruvini Kariawasam . . . . 26752 2 Christine Touma . . . . 26752 3 Liza Cubeddu . . . . 26752 4 Roland Gamsjaeger . . . . 26752 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26752 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 26752 '15N chemical shifts' 116 26752 '1H chemical shifts' 116 26752 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-26 2016-03-07 update BMRB 'update entry citation' 26752 1 . . 2016-07-14 2016-03-07 original author 'original release' 26752 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26752 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27193589 _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C and 15N resonance assignments of the OB domain of the single stranded DNA-binding protein hSSB1 (NABP2/OBFC2B) and chemical shift mapping of the DNA-binding interface ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 297 _Citation.Page_last 300 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ruvini Kariawasam . . . . 26752 1 2 Christine Touma . . . . 26752 1 3 Liza Cubeddu . . . . 26752 1 4 Roland Gamsjaeger . . . . 26752 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26752 _Assembly.ID 1 _Assembly.Name hSSB1 _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 'hSSB1 protein' 1 $hSSB1 A . yes native no no . . . 26752 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hSSB1 _Entity.Sf_category entity _Entity.Sf_framecode hSSB1 _Entity.Entry_ID 26752 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hSSB1 _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 ; GPLGSMTTETFVKDIKPGLK NLNLIFIVLETGRVTKTKDG HEVRTCKVADKTGSINISVW DDVGNLIQPGDIIRLTKGYA SVFKGCLTLYTGRGGDLQKI GEFCMVYSEVPNFSEPNPEY STQQAPNK ; _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 128 _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 . 26752 1 2 -3 PRO . 26752 1 3 -2 LEU . 26752 1 4 -1 GLY . 26752 1 5 0 SER . 26752 1 6 1 MET . 26752 1 7 2 THR . 26752 1 8 3 THR . 26752 1 9 4 GLU . 26752 1 10 5 THR . 26752 1 11 6 PHE . 26752 1 12 7 VAL . 26752 1 13 8 LYS . 26752 1 14 9 ASP . 26752 1 15 10 ILE . 26752 1 16 11 LYS . 26752 1 17 12 PRO . 26752 1 18 13 GLY . 26752 1 19 14 LEU . 26752 1 20 15 LYS . 26752 1 21 16 ASN . 26752 1 22 17 LEU . 26752 1 23 18 ASN . 26752 1 24 19 LEU . 26752 1 25 20 ILE . 26752 1 26 21 PHE . 26752 1 27 22 ILE . 26752 1 28 23 VAL . 26752 1 29 24 LEU . 26752 1 30 25 GLU . 26752 1 31 26 THR . 26752 1 32 27 GLY . 26752 1 33 28 ARG . 26752 1 34 29 VAL . 26752 1 35 30 THR . 26752 1 36 31 LYS . 26752 1 37 32 THR . 26752 1 38 33 LYS . 26752 1 39 34 ASP . 26752 1 40 35 GLY . 26752 1 41 36 HIS . 26752 1 42 37 GLU . 26752 1 43 38 VAL . 26752 1 44 39 ARG . 26752 1 45 40 THR . 26752 1 46 41 CYS . 26752 1 47 42 LYS . 26752 1 48 43 VAL . 26752 1 49 44 ALA . 26752 1 50 45 ASP . 26752 1 51 46 LYS . 26752 1 52 47 THR . 26752 1 53 48 GLY . 26752 1 54 49 SER . 26752 1 55 50 ILE . 26752 1 56 51 ASN . 26752 1 57 52 ILE . 26752 1 58 53 SER . 26752 1 59 54 VAL . 26752 1 60 55 TRP . 26752 1 61 56 ASP . 26752 1 62 57 ASP . 26752 1 63 58 VAL . 26752 1 64 59 GLY . 26752 1 65 60 ASN . 26752 1 66 61 LEU . 26752 1 67 62 ILE . 26752 1 68 63 GLN . 26752 1 69 64 PRO . 26752 1 70 65 GLY . 26752 1 71 66 ASP . 26752 1 72 67 ILE . 26752 1 73 68 ILE . 26752 1 74 69 ARG . 26752 1 75 70 LEU . 26752 1 76 71 THR . 26752 1 77 72 LYS . 26752 1 78 73 GLY . 26752 1 79 74 TYR . 26752 1 80 75 ALA . 26752 1 81 76 SER . 26752 1 82 77 VAL . 26752 1 83 78 PHE . 26752 1 84 79 LYS . 26752 1 85 80 GLY . 26752 1 86 81 CYS . 26752 1 87 82 LEU . 26752 1 88 83 THR . 26752 1 89 84 LEU . 26752 1 90 85 TYR . 26752 1 91 86 THR . 26752 1 92 87 GLY . 26752 1 93 88 ARG . 26752 1 94 89 GLY . 26752 1 95 90 GLY . 26752 1 96 91 ASP . 26752 1 97 92 LEU . 26752 1 98 93 GLN . 26752 1 99 94 LYS . 26752 1 100 95 ILE . 26752 1 101 96 GLY . 26752 1 102 97 GLU . 26752 1 103 98 PHE . 26752 1 104 99 CYS . 26752 1 105 100 MET . 26752 1 106 101 VAL . 26752 1 107 102 TYR . 26752 1 108 103 SER . 26752 1 109 104 GLU . 26752 1 110 105 VAL . 26752 1 111 106 PRO . 26752 1 112 107 ASN . 26752 1 113 108 PHE . 26752 1 114 109 SER . 26752 1 115 110 GLU . 26752 1 116 111 PRO . 26752 1 117 112 ASN . 26752 1 118 113 PRO . 26752 1 119 114 GLU . 26752 1 120 115 TYR . 26752 1 121 116 SER . 26752 1 122 117 THR . 26752 1 123 118 GLN . 26752 1 124 119 GLN . 26752 1 125 120 ALA . 26752 1 126 121 PRO . 26752 1 127 122 ASN . 26752 1 128 123 LYS . 26752 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 26752 1 . PRO 2 2 26752 1 . LEU 3 3 26752 1 . GLY 4 4 26752 1 . SER 5 5 26752 1 . MET 6 6 26752 1 . THR 7 7 26752 1 . THR 8 8 26752 1 . GLU 9 9 26752 1 . THR 10 10 26752 1 . PHE 11 11 26752 1 . VAL 12 12 26752 1 . LYS 13 13 26752 1 . ASP 14 14 26752 1 . ILE 15 15 26752 1 . LYS 16 16 26752 1 . PRO 17 17 26752 1 . GLY 18 18 26752 1 . LEU 19 19 26752 1 . LYS 20 20 26752 1 . ASN 21 21 26752 1 . LEU 22 22 26752 1 . ASN 23 23 26752 1 . LEU 24 24 26752 1 . ILE 25 25 26752 1 . PHE 26 26 26752 1 . ILE 27 27 26752 1 . VAL 28 28 26752 1 . LEU 29 29 26752 1 . GLU 30 30 26752 1 . THR 31 31 26752 1 . GLY 32 32 26752 1 . ARG 33 33 26752 1 . VAL 34 34 26752 1 . THR 35 35 26752 1 . LYS 36 36 26752 1 . THR 37 37 26752 1 . LYS 38 38 26752 1 . ASP 39 39 26752 1 . GLY 40 40 26752 1 . HIS 41 41 26752 1 . GLU 42 42 26752 1 . VAL 43 43 26752 1 . ARG 44 44 26752 1 . THR 45 45 26752 1 . CYS 46 46 26752 1 . LYS 47 47 26752 1 . VAL 48 48 26752 1 . ALA 49 49 26752 1 . ASP 50 50 26752 1 . LYS 51 51 26752 1 . THR 52 52 26752 1 . GLY 53 53 26752 1 . SER 54 54 26752 1 . ILE 55 55 26752 1 . ASN 56 56 26752 1 . ILE 57 57 26752 1 . SER 58 58 26752 1 . VAL 59 59 26752 1 . TRP 60 60 26752 1 . ASP 61 61 26752 1 . ASP 62 62 26752 1 . VAL 63 63 26752 1 . GLY 64 64 26752 1 . ASN 65 65 26752 1 . LEU 66 66 26752 1 . ILE 67 67 26752 1 . GLN 68 68 26752 1 . PRO 69 69 26752 1 . GLY 70 70 26752 1 . ASP 71 71 26752 1 . ILE 72 72 26752 1 . ILE 73 73 26752 1 . ARG 74 74 26752 1 . LEU 75 75 26752 1 . THR 76 76 26752 1 . LYS 77 77 26752 1 . GLY 78 78 26752 1 . TYR 79 79 26752 1 . ALA 80 80 26752 1 . SER 81 81 26752 1 . VAL 82 82 26752 1 . PHE 83 83 26752 1 . LYS 84 84 26752 1 . GLY 85 85 26752 1 . CYS 86 86 26752 1 . LEU 87 87 26752 1 . THR 88 88 26752 1 . LEU 89 89 26752 1 . TYR 90 90 26752 1 . THR 91 91 26752 1 . GLY 92 92 26752 1 . ARG 93 93 26752 1 . GLY 94 94 26752 1 . GLY 95 95 26752 1 . ASP 96 96 26752 1 . LEU 97 97 26752 1 . GLN 98 98 26752 1 . LYS 99 99 26752 1 . ILE 100 100 26752 1 . GLY 101 101 26752 1 . GLU 102 102 26752 1 . PHE 103 103 26752 1 . CYS 104 104 26752 1 . MET 105 105 26752 1 . VAL 106 106 26752 1 . TYR 107 107 26752 1 . SER 108 108 26752 1 . GLU 109 109 26752 1 . VAL 110 110 26752 1 . PRO 111 111 26752 1 . ASN 112 112 26752 1 . PHE 113 113 26752 1 . SER 114 114 26752 1 . GLU 115 115 26752 1 . PRO 116 116 26752 1 . ASN 117 117 26752 1 . PRO 118 118 26752 1 . GLU 119 119 26752 1 . TYR 120 120 26752 1 . SER 121 121 26752 1 . THR 122 122 26752 1 . GLN 123 123 26752 1 . GLN 124 124 26752 1 . ALA 125 125 26752 1 . PRO 126 126 26752 1 . ASN 127 127 26752 1 . LYS 128 128 26752 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 26752 _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 $hSSB1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26752 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 26752 _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 $hSSB1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGex6P . . . 26752 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26752 _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 hSSB1 '[U-100% 13C; U-100% 15N]' . . 1 $hSSB1 . . . 200 800 uM . . . . 26752 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26752 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26752 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 26752 1 5 MES 'natural abundance' . . . . . . 10 . . mM . . . . 26752 1 6 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 26752 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 26752 _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' 60 . mM 26752 1 pH 6.0 . pH 26752 1 pressure 1 . atm 26752 1 temperature 298 . K 26752 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26752 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26752 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26752 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26752 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26752 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26752 2 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 26752 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26752 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26752 _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 . 600 . . . 26752 1 2 spectrometer_2 Bruker Avance . 800 . . . 26752 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 26752 _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 . . . . . . . . . . . . . . . . . . . . . 26752 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26752 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26752 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26752 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26752 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26752 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26752 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 26752 _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 . . . . . 26752 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26752 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26752 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 26752 _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' . . . 26752 1 2 '3D HNCACB' . . . 26752 1 3 '3D CBCA(CO)NH' . . . 26752 1 4 '3D HNCO' . . . 26752 1 5 '3D HN(CA)CO' . . . 26752 1 6 '3D 1H-15N NOESY' . . . 26752 1 7 '2D 1H-13C HSQC' . . . 26752 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 MET H H 1 8.465 0.001 . 1 . . . . 1 MET H . 26752 1 2 . 1 1 6 6 MET C C 13 176.08 0.027 . 1 . . . . 1 MET C . 26752 1 3 . 1 1 6 6 MET CA C 13 55.538 0.011 . 1 . . . . 1 MET CA . 26752 1 4 . 1 1 6 6 MET CB C 13 32.816 0.039 . 1 . . . . 1 MET CB . 26752 1 5 . 1 1 6 6 MET N N 15 122.36 0.043 . 1 . . . . 1 MET N . 26752 1 6 . 1 1 7 7 THR H H 1 8.157 0.001 . 1 . . . . 2 THR H . 26752 1 7 . 1 1 7 7 THR C C 13 174.421 0.039 . 1 . . . . 2 THR C . 26752 1 8 . 1 1 7 7 THR CA C 13 61.645 0.114 . 1 . . . . 2 THR CA . 26752 1 9 . 1 1 7 7 THR CB C 13 69.921 0.063 . 1 . . . . 2 THR CB . 26752 1 10 . 1 1 7 7 THR N N 15 115.384 0.026 . 1 . . . . 2 THR N . 26752 1 11 . 1 1 8 8 THR H H 1 8.263 0.001 . 1 . . . . 3 THR H . 26752 1 12 . 1 1 8 8 THR C C 13 174.107 0.069 . 1 . . . . 3 THR C . 26752 1 13 . 1 1 8 8 THR CA C 13 61.617 0.119 . 1 . . . . 3 THR CA . 26752 1 14 . 1 1 8 8 THR CB C 13 69.891 0.072 . 1 . . . . 3 THR CB . 26752 1 15 . 1 1 8 8 THR N N 15 117.194 0.008 . 1 . . . . 3 THR N . 26752 1 16 . 1 1 9 9 GLU H H 1 8.426 0.001 . 1 . . . . 4 GLU H . 26752 1 17 . 1 1 9 9 GLU C C 13 175.489 0.047 . 1 . . . . 4 GLU C . 26752 1 18 . 1 1 9 9 GLU CA C 13 56.579 0.044 . 1 . . . . 4 GLU CA . 26752 1 19 . 1 1 9 9 GLU CB C 13 30.917 0.051 . 1 . . . . 4 GLU CB . 26752 1 20 . 1 1 9 9 GLU N N 15 124.277 0.045 . 1 . . . . 4 GLU N . 26752 1 21 . 1 1 10 10 THR H H 1 8.168 0.002 . 1 . . . . 5 THR H . 26752 1 22 . 1 1 10 10 THR C C 13 171.674 0.115 . 1 . . . . 5 THR C . 26752 1 23 . 1 1 10 10 THR CA C 13 61.709 0.13 . 1 . . . . 5 THR CA . 26752 1 24 . 1 1 10 10 THR CB C 13 70.731 0.033 . 1 . . . . 5 THR CB . 26752 1 25 . 1 1 10 10 THR N N 15 119.163 0.059 . 1 . . . . 5 THR N . 26752 1 26 . 1 1 11 11 PHE H H 1 8.937 0.005 . 1 . . . . 6 PHE H . 26752 1 27 . 1 1 11 11 PHE C C 13 177.299 0.035 . 1 . . . . 6 PHE C . 26752 1 28 . 1 1 11 11 PHE CA C 13 56.723 0.103 . 1 . . . . 6 PHE CA . 26752 1 29 . 1 1 11 11 PHE CB C 13 42.354 0.069 . 1 . . . . 6 PHE CB . 26752 1 30 . 1 1 11 11 PHE N N 15 123.497 0.035 . 1 . . . . 6 PHE N . 26752 1 31 . 1 1 12 12 VAL H H 1 10.367 0.005 . 1 . . . . 7 VAL H . 26752 1 32 . 1 1 12 12 VAL C C 13 178.322 0 . 1 . . . . 7 VAL C . 26752 1 33 . 1 1 12 12 VAL CA C 13 67.158 0.074 . 1 . . . . 7 VAL CA . 26752 1 34 . 1 1 12 12 VAL CB C 13 30.918 0.134 . 1 . . . . 7 VAL CB . 26752 1 35 . 1 1 12 12 VAL N N 15 124.627 0.097 . 1 . . . . 7 VAL N . 26752 1 36 . 1 1 13 13 LYS H H 1 8.084 0.003 . 1 . . . . 8 LYS H . 26752 1 37 . 1 1 13 13 LYS C C 13 176.149 0.076 . 1 . . . . 8 LYS C . 26752 1 38 . 1 1 13 13 LYS CA C 13 56.871 0.047 . 1 . . . . 8 LYS CA . 26752 1 39 . 1 1 13 13 LYS CB C 13 32.092 0.008 . 1 . . . . 8 LYS CB . 26752 1 40 . 1 1 13 13 LYS N N 15 113.268 0.082 . 1 . . . . 8 LYS N . 26752 1 41 . 1 1 14 14 ASP H H 1 7.904 0.005 . 1 . . . . 9 ASP H . 26752 1 42 . 1 1 14 14 ASP C C 13 176.156 0 . 1 . . . . 9 ASP C . 26752 1 43 . 1 1 14 14 ASP CA C 13 54.699 0.112 . 1 . . . . 9 ASP CA . 26752 1 44 . 1 1 14 14 ASP CB C 13 42.185 0.015 . 1 . . . . 9 ASP CB . 26752 1 45 . 1 1 14 14 ASP N N 15 119.96 0.061 . 1 . . . . 9 ASP N . 26752 1 46 . 1 1 15 15 ILE H H 1 7.418 0.021 . 1 . . . . 10 ILE H . 26752 1 47 . 1 1 15 15 ILE C C 13 174.264 0.053 . 1 . . . . 10 ILE C . 26752 1 48 . 1 1 15 15 ILE CA C 13 63.525 0.044 . 1 . . . . 10 ILE CA . 26752 1 49 . 1 1 15 15 ILE CB C 13 36.377 0.005 . 1 . . . . 10 ILE CB . 26752 1 50 . 1 1 15 15 ILE N N 15 121.011 0.054 . 1 . . . . 10 ILE N . 26752 1 51 . 1 1 16 16 LYS H H 1 6.42 0.002 . 1 . . . . 11 LYS H . 26752 1 52 . 1 1 16 16 LYS C C 13 172.673 0 . 1 . . . . 11 LYS C . 26752 1 53 . 1 1 16 16 LYS CA C 13 52.537 0 . 1 . . . . 11 LYS CA . 26752 1 54 . 1 1 16 16 LYS CB C 13 34.062 0 . 1 . . . . 11 LYS CB . 26752 1 55 . 1 1 16 16 LYS N N 15 124.359 0.082 . 1 . . . . 11 LYS N . 26752 1 56 . 1 1 17 17 PRO C C 13 177.097 0.053 . 1 . . . . 12 PRO C . 26752 1 57 . 1 1 17 17 PRO CA C 13 63.913 0.063 . 1 . . . . 12 PRO CA . 26752 1 58 . 1 1 17 17 PRO CB C 13 31.697 0.087 . 1 . . . . 12 PRO CB . 26752 1 59 . 1 1 18 18 GLY H H 1 8.289 0.004 . 1 . . . . 13 GLY H . 26752 1 60 . 1 1 18 18 GLY C C 13 174.812 0.034 . 1 . . . . 13 GLY C . 26752 1 61 . 1 1 18 18 GLY CA C 13 45.411 0.041 . 1 . . . . 13 GLY CA . 26752 1 62 . 1 1 18 18 GLY N N 15 111.472 0.039 . 1 . . . . 13 GLY N . 26752 1 63 . 1 1 19 19 LEU H H 1 7.336 0.014 . 1 . . . . 14 LEU H . 26752 1 64 . 1 1 19 19 LEU C C 13 176.37 0.098 . 1 . . . . 14 LEU C . 26752 1 65 . 1 1 19 19 LEU CA C 13 55.537 0.038 . 1 . . . . 14 LEU CA . 26752 1 66 . 1 1 19 19 LEU CB C 13 43.096 0.026 . 1 . . . . 14 LEU CB . 26752 1 67 . 1 1 19 19 LEU N N 15 119.926 0.041 . 1 . . . . 14 LEU N . 26752 1 68 . 1 1 20 20 LYS H H 1 8.352 0.008 . 1 . . . . 15 LYS H . 26752 1 69 . 1 1 20 20 LYS C C 13 174.836 0.086 . 1 . . . . 15 LYS C . 26752 1 70 . 1 1 20 20 LYS CA C 13 54.668 0.098 . 1 . . . . 15 LYS CA . 26752 1 71 . 1 1 20 20 LYS CB C 13 35.649 0.023 . 1 . . . . 15 LYS CB . 26752 1 72 . 1 1 20 20 LYS N N 15 119.518 0.079 . 1 . . . . 15 LYS N . 26752 1 73 . 1 1 21 21 ASN H H 1 8.771 0.003 . 1 . . . . 16 ASN H . 26752 1 74 . 1 1 21 21 ASN C C 13 174.525 0.043 . 1 . . . . 16 ASN C . 26752 1 75 . 1 1 21 21 ASN CA C 13 54.275 0 . 1 . . . . 16 ASN CA . 26752 1 76 . 1 1 21 21 ASN CB C 13 37.58 0.046 . 1 . . . . 16 ASN CB . 26752 1 77 . 1 1 21 21 ASN N N 15 116.517 0.152 . 1 . . . . 16 ASN N . 26752 1 78 . 1 1 22 22 LEU H H 1 8.952 0.001 . 1 . . . . 17 LEU H . 26752 1 79 . 1 1 22 22 LEU C C 13 175.906 0 . 1 . . . . 17 LEU C . 26752 1 80 . 1 1 22 22 LEU CA C 13 54.837 0.055 . 1 . . . . 17 LEU CA . 26752 1 81 . 1 1 22 22 LEU CB C 13 43.607 0.067 . 1 . . . . 17 LEU CB . 26752 1 82 . 1 1 22 22 LEU N N 15 118.654 0.038 . 1 . . . . 17 LEU N . 26752 1 83 . 1 1 23 23 ASN H H 1 8.496 0.006 . 1 . . . . 18 ASN H . 26752 1 84 . 1 1 23 23 ASN C C 13 174.243 0.031 . 1 . . . . 18 ASN C . 26752 1 85 . 1 1 23 23 ASN CA C 13 51.477 0.006 . 1 . . . . 18 ASN CA . 26752 1 86 . 1 1 23 23 ASN CB C 13 40.133 0.019 . 1 . . . . 18 ASN CB . 26752 1 87 . 1 1 23 23 ASN N N 15 122.249 0.046 . 1 . . . . 18 ASN N . 26752 1 88 . 1 1 24 24 LEU H H 1 8.52 0.003 . 1 . . . . 19 LEU H . 26752 1 89 . 1 1 24 24 LEU C C 13 174.118 0 . 1 . . . . 19 LEU C . 26752 1 90 . 1 1 24 24 LEU CA C 13 54.921 0.021 . 1 . . . . 19 LEU CA . 26752 1 91 . 1 1 24 24 LEU CB C 13 47.102 0.055 . 1 . . . . 19 LEU CB . 26752 1 92 . 1 1 24 24 LEU N N 15 122.202 0.042 . 1 . . . . 19 LEU N . 26752 1 93 . 1 1 25 25 ILE H H 1 7.798 0.013 . 1 . . . . 20 ILE H . 26752 1 94 . 1 1 25 25 ILE C C 13 174.63 0.037 . 1 . . . . 20 ILE C . 26752 1 95 . 1 1 25 25 ILE CA C 13 59.856 0.08 . 1 . . . . 20 ILE CA . 26752 1 96 . 1 1 25 25 ILE CB C 13 40.803 0.078 . 1 . . . . 20 ILE CB . 26752 1 97 . 1 1 25 25 ILE N N 15 119.233 0.092 . 1 . . . . 20 ILE N . 26752 1 98 . 1 1 26 26 PHE H H 1 8.392 0.003 . 1 . . . . 21 PHE H . 26752 1 99 . 1 1 26 26 PHE C C 13 172.899 0.011 . 1 . . . . 21 PHE C . 26752 1 100 . 1 1 26 26 PHE CA C 13 54.15 0.049 . 1 . . . . 21 PHE CA . 26752 1 101 . 1 1 26 26 PHE CB C 13 41.027 0.07 . 1 . . . . 21 PHE CB . 26752 1 102 . 1 1 26 26 PHE N N 15 120.827 0.124 . 1 . . . . 21 PHE N . 26752 1 103 . 1 1 27 27 ILE H H 1 9.381 0.014 . 1 . . . . 22 ILE H . 26752 1 104 . 1 1 27 27 ILE C C 13 174.59 0.042 . 1 . . . . 22 ILE C . 26752 1 105 . 1 1 27 27 ILE CA C 13 57.705 0.101 . 1 . . . . 22 ILE CA . 26752 1 106 . 1 1 27 27 ILE CB C 13 40.954 0.07 . 1 . . . . 22 ILE CB . 26752 1 107 . 1 1 27 27 ILE N N 15 118.256 0.062 . 1 . . . . 22 ILE N . 26752 1 108 . 1 1 28 28 VAL H H 1 8.72 0.002 . 1 . . . . 23 VAL H . 26752 1 109 . 1 1 28 28 VAL C C 13 176.03 0.006 . 1 . . . . 23 VAL C . 26752 1 110 . 1 1 28 28 VAL CA C 13 62.956 0.151 . 1 . . . . 23 VAL CA . 26752 1 111 . 1 1 28 28 VAL CB C 13 31.353 0.058 . 1 . . . . 23 VAL CB . 26752 1 112 . 1 1 28 28 VAL N N 15 125.921 0.047 . 1 . . . . 23 VAL N . 26752 1 113 . 1 1 29 29 LEU H H 1 9.463 0.006 . 1 . . . . 24 LEU H . 26752 1 114 . 1 1 29 29 LEU C C 13 177.022 0.03 . 1 . . . . 24 LEU C . 26752 1 115 . 1 1 29 29 LEU CA C 13 55.771 0.015 . 1 . . . . 24 LEU CA . 26752 1 116 . 1 1 29 29 LEU CB C 13 42.442 0 . 1 . . . . 24 LEU CB . 26752 1 117 . 1 1 29 29 LEU N N 15 128.914 0.069 . 1 . . . . 24 LEU N . 26752 1 118 . 1 1 30 30 GLU H H 1 7.679 0.01 . 1 . . . . 25 GLU H . 26752 1 119 . 1 1 30 30 GLU C C 13 175.234 0.087 . 1 . . . . 25 GLU C . 26752 1 120 . 1 1 30 30 GLU CA C 13 55.072 0.076 . 1 . . . . 25 GLU CA . 26752 1 121 . 1 1 30 30 GLU CB C 13 34.428 0.052 . 1 . . . . 25 GLU CB . 26752 1 122 . 1 1 30 30 GLU N N 15 115.453 0.053 . 1 . . . . 25 GLU N . 26752 1 123 . 1 1 31 31 THR H H 1 8.989 0.004 . 1 . . . . 26 THR H . 26752 1 124 . 1 1 31 31 THR C C 13 174.507 0.027 . 1 . . . . 26 THR C . 26752 1 125 . 1 1 31 31 THR CA C 13 59.685 0.005 . 1 . . . . 26 THR CA . 26752 1 126 . 1 1 31 31 THR CB C 13 69.708 0.093 . 1 . . . . 26 THR CB . 26752 1 127 . 1 1 31 31 THR N N 15 114.502 0.018 . 1 . . . . 26 THR N . 26752 1 128 . 1 1 32 32 GLY H H 1 7.848 0.012 . 1 . . . . 27 GLY H . 26752 1 129 . 1 1 32 32 GLY C C 13 173.396 0.043 . 1 . . . . 27 GLY C . 26752 1 130 . 1 1 32 32 GLY CA C 13 44.884 0.036 . 1 . . . . 27 GLY CA . 26752 1 131 . 1 1 32 32 GLY N N 15 111.375 0.057 . 1 . . . . 27 GLY N . 26752 1 132 . 1 1 33 33 ARG H H 1 8.323 0.001 . 1 . . . . 28 ARG H . 26752 1 133 . 1 1 33 33 ARG C C 13 176.683 0 . 1 . . . . 28 ARG C . 26752 1 134 . 1 1 33 33 ARG CA C 13 55.851 0.106 . 1 . . . . 28 ARG CA . 26752 1 135 . 1 1 33 33 ARG CB C 13 31.219 0.021 . 1 . . . . 28 ARG CB . 26752 1 136 . 1 1 33 33 ARG N N 15 119.376 0.057 . 1 . . . . 28 ARG N . 26752 1 137 . 1 1 34 34 VAL H H 1 8.54 0.009 . 1 . . . . 29 VAL H . 26752 1 138 . 1 1 34 34 VAL C C 13 176.401 0.049 . 1 . . . . 29 VAL C . 26752 1 139 . 1 1 34 34 VAL CA C 13 62.597 0.063 . 1 . . . . 29 VAL CA . 26752 1 140 . 1 1 34 34 VAL CB C 13 32.999 0.088 . 1 . . . . 29 VAL CB . 26752 1 141 . 1 1 34 34 VAL N N 15 123.94 0.075 . 1 . . . . 29 VAL N . 26752 1 142 . 1 1 35 35 THR H H 1 8.986 0.002 . 1 . . . . 30 THR H . 26752 1 143 . 1 1 35 35 THR C C 13 172.848 0.01 . 1 . . . . 30 THR C . 26752 1 144 . 1 1 35 35 THR CA C 13 61.181 0.052 . 1 . . . . 30 THR CA . 26752 1 145 . 1 1 35 35 THR CB C 13 71.205 0.046 . 1 . . . . 30 THR CB . 26752 1 146 . 1 1 35 35 THR N N 15 122.551 0.044 . 1 . . . . 30 THR N . 26752 1 147 . 1 1 36 36 LYS H H 1 8.547 0.01 . 1 . . . . 31 LYS H . 26752 1 148 . 1 1 36 36 LYS C C 13 177.769 0.039 . 1 . . . . 31 LYS C . 26752 1 149 . 1 1 36 36 LYS CA C 13 54.97 0.028 . 1 . . . . 31 LYS CA . 26752 1 150 . 1 1 36 36 LYS CB C 13 33.811 0.02 . 1 . . . . 31 LYS CB . 26752 1 151 . 1 1 36 36 LYS N N 15 124.052 0.04 . 1 . . . . 31 LYS N . 26752 1 152 . 1 1 37 37 THR H H 1 8.955 0.002 . 1 . . . . 32 THR H . 26752 1 153 . 1 1 37 37 THR C C 13 177.09 0.025 . 1 . . . . 32 THR C . 26752 1 154 . 1 1 37 37 THR CA C 13 60.85 0.045 . 1 . . . . 32 THR CA . 26752 1 155 . 1 1 37 37 THR CB C 13 70.97 0.07 . 1 . . . . 32 THR CB . 26752 1 156 . 1 1 37 37 THR N N 15 116.17 0.076 . 1 . . . . 32 THR N . 26752 1 157 . 1 1 38 38 LYS H H 1 9.055 0.009 . 1 . . . . 33 LYS H . 26752 1 158 . 1 1 38 38 LYS C C 13 176.939 0.088 . 1 . . . . 33 LYS C . 26752 1 159 . 1 1 38 38 LYS CA C 13 58.676 0.092 . 1 . . . . 33 LYS CA . 26752 1 160 . 1 1 38 38 LYS CB C 13 32.142 0.003 . 1 . . . . 33 LYS CB . 26752 1 161 . 1 1 38 38 LYS N N 15 122.003 0.089 . 1 . . . . 33 LYS N . 26752 1 162 . 1 1 39 39 ASP H H 1 8.212 0.001 . 1 . . . . 34 ASP H . 26752 1 163 . 1 1 39 39 ASP C C 13 176.436 0.087 . 1 . . . . 34 ASP C . 26752 1 164 . 1 1 39 39 ASP CA C 13 52.972 0.051 . 1 . . . . 34 ASP CA . 26752 1 165 . 1 1 39 39 ASP CB C 13 39.807 0 . 1 . . . . 34 ASP CB . 26752 1 166 . 1 1 39 39 ASP N N 15 115.143 0.051 . 1 . . . . 34 ASP N . 26752 1 167 . 1 1 40 40 GLY H H 1 7.844 0.001 . 1 . . . . 35 GLY H . 26752 1 168 . 1 1 40 40 GLY C C 13 174.804 0.052 . 1 . . . . 35 GLY C . 26752 1 169 . 1 1 40 40 GLY CA C 13 46.349 0.045 . 1 . . . . 35 GLY CA . 26752 1 170 . 1 1 40 40 GLY N N 15 106.446 0.059 . 1 . . . . 35 GLY N . 26752 1 171 . 1 1 41 41 HIS H H 1 7.781 0.001 . 1 . . . . 36 HIS H . 26752 1 172 . 1 1 41 41 HIS C C 13 173.879 0.057 . 1 . . . . 36 HIS C . 26752 1 173 . 1 1 41 41 HIS CA C 13 55.269 0.03 . 1 . . . . 36 HIS CA . 26752 1 174 . 1 1 41 41 HIS CB C 13 30.293 0.115 . 1 . . . . 36 HIS CB . 26752 1 175 . 1 1 41 41 HIS N N 15 117.704 0.038 . 1 . . . . 36 HIS N . 26752 1 176 . 1 1 42 42 GLU H H 1 8.954 0.004 . 1 . . . . 37 GLU H . 26752 1 177 . 1 1 42 42 GLU C C 13 174.835 0.079 . 1 . . . . 37 GLU C . 26752 1 178 . 1 1 42 42 GLU CA C 13 55.577 0.049 . 1 . . . . 37 GLU CA . 26752 1 179 . 1 1 42 42 GLU CB C 13 32.619 0.014 . 1 . . . . 37 GLU CB . 26752 1 180 . 1 1 42 42 GLU N N 15 121.479 0.076 . 1 . . . . 37 GLU N . 26752 1 181 . 1 1 43 43 VAL H H 1 8.817 0.002 . 1 . . . . 38 VAL H . 26752 1 182 . 1 1 43 43 VAL C C 13 173.789 0.071 . 1 . . . . 38 VAL C . 26752 1 183 . 1 1 43 43 VAL CA C 13 59.966 0.096 . 1 . . . . 38 VAL CA . 26752 1 184 . 1 1 43 43 VAL CB C 13 34.823 0.021 . 1 . . . . 38 VAL CB . 26752 1 185 . 1 1 43 43 VAL N N 15 121.764 0.049 . 1 . . . . 38 VAL N . 26752 1 186 . 1 1 44 44 ARG H H 1 8.504 0.002 . 1 . . . . 39 ARG H . 26752 1 187 . 1 1 44 44 ARG C C 13 174.395 0.031 . 1 . . . . 39 ARG C . 26752 1 188 . 1 1 44 44 ARG CA C 13 54.32 0.072 . 1 . . . . 39 ARG CA . 26752 1 189 . 1 1 44 44 ARG CB C 13 34.287 0.079 . 1 . . . . 39 ARG CB . 26752 1 190 . 1 1 44 44 ARG N N 15 124.057 0.068 . 1 . . . . 39 ARG N . 26752 1 191 . 1 1 45 45 THR H H 1 8.978 0.002 . 1 . . . . 40 THR H . 26752 1 192 . 1 1 45 45 THR C C 13 175.113 0.088 . 1 . . . . 40 THR C . 26752 1 193 . 1 1 45 45 THR CA C 13 61.963 0.067 . 1 . . . . 40 THR CA . 26752 1 194 . 1 1 45 45 THR CB C 13 69.383 0.019 . 1 . . . . 40 THR CB . 26752 1 195 . 1 1 45 45 THR N N 15 120.967 0.048 . 1 . . . . 40 THR N . 26752 1 196 . 1 1 46 46 CYS H H 1 9.285 0.003 . 1 . . . . 41 CYS H . 26752 1 197 . 1 1 46 46 CYS C C 13 171.895 0.021 . 1 . . . . 41 CYS C . 26752 1 198 . 1 1 46 46 CYS CA C 13 56.63 0.015 . 1 . . . . 41 CYS CA . 26752 1 199 . 1 1 46 46 CYS CB C 13 29.509 0.056 . 1 . . . . 41 CYS CB . 26752 1 200 . 1 1 46 46 CYS N N 15 124.434 0.049 . 1 . . . . 41 CYS N . 26752 1 201 . 1 1 47 47 LYS H H 1 8.415 0.003 . 1 . . . . 42 LYS H . 26752 1 202 . 1 1 47 47 LYS C C 13 175.489 0.065 . 1 . . . . 42 LYS C . 26752 1 203 . 1 1 47 47 LYS CA C 13 55.899 0.038 . 1 . . . . 42 LYS CA . 26752 1 204 . 1 1 47 47 LYS CB C 13 35.123 0.023 . 1 . . . . 42 LYS CB . 26752 1 205 . 1 1 47 47 LYS N N 15 125.645 0.035 . 1 . . . . 42 LYS N . 26752 1 206 . 1 1 48 48 VAL H H 1 9.267 0.023 . 1 . . . . 43 VAL H . 26752 1 207 . 1 1 48 48 VAL C C 13 173.885 0.057 . 1 . . . . 43 VAL C . 26752 1 208 . 1 1 48 48 VAL CA C 13 58.631 0.102 . 1 . . . . 43 VAL CA . 26752 1 209 . 1 1 48 48 VAL CB C 13 34.888 0.021 . 1 . . . . 43 VAL CB . 26752 1 210 . 1 1 48 48 VAL N N 15 123.266 0.031 . 1 . . . . 43 VAL N . 26752 1 211 . 1 1 49 49 ALA H H 1 8.844 0.002 . 1 . . . . 44 ALA H . 26752 1 212 . 1 1 49 49 ALA C C 13 175.901 0.024 . 1 . . . . 44 ALA C . 26752 1 213 . 1 1 49 49 ALA CA C 13 51.923 0.087 . 1 . . . . 44 ALA CA . 26752 1 214 . 1 1 49 49 ALA CB C 13 25.455 0.039 . 1 . . . . 44 ALA CB . 26752 1 215 . 1 1 49 49 ALA N N 15 119.596 0.075 . 1 . . . . 44 ALA N . 26752 1 216 . 1 1 50 50 ASP H H 1 9.189 0.003 . 1 . . . . 45 ASP H . 26752 1 217 . 1 1 50 50 ASP C C 13 178.461 0.025 . 1 . . . . 45 ASP C . 26752 1 218 . 1 1 50 50 ASP CA C 13 53.098 0.135 . 1 . . . . 45 ASP CA . 26752 1 219 . 1 1 50 50 ASP CB C 13 42.78 0.064 . 1 . . . . 45 ASP CB . 26752 1 220 . 1 1 50 50 ASP N N 15 119.821 0.056 . 1 . . . . 45 ASP N . 26752 1 221 . 1 1 51 51 LYS H H 1 9.025 0.019 . 1 . . . . 46 LYS H . 26752 1 222 . 1 1 51 51 LYS C C 13 176.071 0.038 . 1 . . . . 46 LYS C . 26752 1 223 . 1 1 51 51 LYS CA C 13 59.684 0.006 . 1 . . . . 46 LYS CA . 26752 1 224 . 1 1 51 51 LYS CB C 13 31.539 0.069 . 1 . . . . 46 LYS CB . 26752 1 225 . 1 1 51 51 LYS N N 15 117.459 0.078 . 1 . . . . 46 LYS N . 26752 1 226 . 1 1 52 52 THR H H 1 9.847 0.009 . 1 . . . . 47 THR H . 26752 1 227 . 1 1 52 52 THR C C 13 172.954 0.004 . 1 . . . . 47 THR C . 26752 1 228 . 1 1 52 52 THR CA C 13 62.198 0.055 . 1 . . . . 47 THR CA . 26752 1 229 . 1 1 52 52 THR CB C 13 69.774 0.027 . 1 . . . . 47 THR CB . 26752 1 230 . 1 1 52 52 THR N N 15 112.909 0.107 . 1 . . . . 47 THR N . 26752 1 231 . 1 1 53 53 GLY H H 1 7.702 0.001 . 1 . . . . 48 GLY H . 26752 1 232 . 1 1 53 53 GLY C C 13 171.341 0 . 1 . . . . 48 GLY C . 26752 1 233 . 1 1 53 53 GLY CA C 13 45.175 0.007 . 1 . . . . 48 GLY CA . 26752 1 234 . 1 1 53 53 GLY N N 15 109.979 0.063 . 1 . . . . 48 GLY N . 26752 1 235 . 1 1 54 54 SER H H 1 8.907 0.002 . 1 . . . . 49 SER H . 26752 1 236 . 1 1 54 54 SER C C 13 172.643 0.032 . 1 . . . . 49 SER C . 26752 1 237 . 1 1 54 54 SER CA C 13 56.056 0.135 . 1 . . . . 49 SER CA . 26752 1 238 . 1 1 54 54 SER CB C 13 68.874 0.045 . 1 . . . . 49 SER CB . 26752 1 239 . 1 1 54 54 SER N N 15 108.349 0.047 . 1 . . . . 49 SER N . 26752 1 240 . 1 1 55 55 ILE H H 1 9.17 0.001 . 1 . . . . 50 ILE H . 26752 1 241 . 1 1 55 55 ILE C C 13 171.808 0.058 . 1 . . . . 50 ILE C . 26752 1 242 . 1 1 55 55 ILE CA C 13 60.667 0.002 . 1 . . . . 50 ILE CA . 26752 1 243 . 1 1 55 55 ILE CB C 13 41.712 0.089 . 1 . . . . 50 ILE CB . 26752 1 244 . 1 1 55 55 ILE N N 15 118.805 0.029 . 1 . . . . 50 ILE N . 26752 1 245 . 1 1 56 56 ASN H H 1 8.71 0.003 . 1 . . . . 51 ASN H . 26752 1 246 . 1 1 56 56 ASN C C 13 175.124 0.038 . 1 . . . . 51 ASN C . 26752 1 247 . 1 1 56 56 ASN CA C 13 51.45 0.043 . 1 . . . . 51 ASN CA . 26752 1 248 . 1 1 56 56 ASN CB C 13 39.082 0.056 . 1 . . . . 51 ASN CB . 26752 1 249 . 1 1 56 56 ASN N N 15 122.004 0.092 . 1 . . . . 51 ASN N . 26752 1 250 . 1 1 57 57 ILE H H 1 8.98 0.003 . 1 . . . . 52 ILE H . 26752 1 251 . 1 1 57 57 ILE C C 13 173.188 0.039 . 1 . . . . 52 ILE C . 26752 1 252 . 1 1 57 57 ILE CA C 13 57.4 0.077 . 1 . . . . 52 ILE CA . 26752 1 253 . 1 1 57 57 ILE CB C 13 41.633 0 . 1 . . . . 52 ILE CB . 26752 1 254 . 1 1 57 57 ILE N N 15 117.488 0.072 . 1 . . . . 52 ILE N . 26752 1 255 . 1 1 58 58 SER H H 1 7.995 0.004 . 1 . . . . 53 SER H . 26752 1 256 . 1 1 58 58 SER C C 13 173.282 0.013 . 1 . . . . 53 SER C . 26752 1 257 . 1 1 58 58 SER CA C 13 57.166 0.054 . 1 . . . . 53 SER CA . 26752 1 258 . 1 1 58 58 SER CB C 13 64.034 0.031 . 1 . . . . 53 SER CB . 26752 1 259 . 1 1 58 58 SER N N 15 122.255 0.089 . 1 . . . . 53 SER N . 26752 1 260 . 1 1 59 59 VAL H H 1 8.888 0.003 . 1 . . . . 54 VAL H . 26752 1 261 . 1 1 59 59 VAL C C 13 175.278 0 . 1 . . . . 54 VAL C . 26752 1 262 . 1 1 59 59 VAL CA C 13 60.785 0.003 . 1 . . . . 54 VAL CA . 26752 1 263 . 1 1 59 59 VAL CB C 13 34.356 0.018 . 1 . . . . 54 VAL CB . 26752 1 264 . 1 1 59 59 VAL N N 15 123.51 0.083 . 1 . . . . 54 VAL N . 26752 1 265 . 1 1 60 60 TRP H H 1 8.842 0.01 . 1 . . . . 55 TRP H . 26752 1 266 . 1 1 60 60 TRP C C 13 176.969 0.087 . 1 . . . . 55 TRP C . 26752 1 267 . 1 1 60 60 TRP CA C 13 56.869 0.034 . 1 . . . . 55 TRP CA . 26752 1 268 . 1 1 60 60 TRP CB C 13 31.465 0.104 . 1 . . . . 55 TRP CB . 26752 1 269 . 1 1 60 60 TRP N N 15 127.032 0.09 . 1 . . . . 55 TRP N . 26752 1 270 . 1 1 61 61 ASP H H 1 9.443 0.008 . 1 . . . . 56 ASP H . 26752 1 271 . 1 1 61 61 ASP C C 13 176.372 0.051 . 1 . . . . 56 ASP C . 26752 1 272 . 1 1 61 61 ASP CA C 13 56.198 0.046 . 1 . . . . 56 ASP CA . 26752 1 273 . 1 1 61 61 ASP CB C 13 40.458 0.032 . 1 . . . . 56 ASP CB . 26752 1 274 . 1 1 61 61 ASP N N 15 120.139 0.088 . 1 . . . . 56 ASP N . 26752 1 275 . 1 1 62 62 ASP H H 1 8.534 0.013 . 1 . . . . 57 ASP H . 26752 1 276 . 1 1 62 62 ASP C C 13 178.026 0.072 . 1 . . . . 57 ASP C . 26752 1 277 . 1 1 62 62 ASP CA C 13 56.665 0.095 . 1 . . . . 57 ASP CA . 26752 1 278 . 1 1 62 62 ASP CB C 13 40.275 0.041 . 1 . . . . 57 ASP CB . 26752 1 279 . 1 1 62 62 ASP N N 15 120.991 0.099 . 1 . . . . 57 ASP N . 26752 1 280 . 1 1 63 63 VAL H H 1 8.014 0.001 . 1 . . . . 58 VAL H . 26752 1 281 . 1 1 63 63 VAL C C 13 177.916 0.028 . 1 . . . . 58 VAL C . 26752 1 282 . 1 1 63 63 VAL CA C 13 64.823 0.015 . 1 . . . . 58 VAL CA . 26752 1 283 . 1 1 63 63 VAL CB C 13 31.769 0 . 1 . . . . 58 VAL CB . 26752 1 284 . 1 1 63 63 VAL N N 15 119.189 0.101 . 1 . . . . 58 VAL N . 26752 1 285 . 1 1 64 64 GLY H H 1 7.902 0.004 . 1 . . . . 59 GLY H . 26752 1 286 . 1 1 64 64 GLY C C 13 174.453 0 . 1 . . . . 59 GLY C . 26752 1 287 . 1 1 64 64 GLY CA C 13 46.507 0.034 . 1 . . . . 59 GLY CA . 26752 1 288 . 1 1 64 64 GLY N N 15 107.132 0.054 . 1 . . . . 59 GLY N . 26752 1 289 . 1 1 65 65 ASN H H 1 7.75 0.004 . 1 . . . . 60 ASN H . 26752 1 290 . 1 1 65 65 ASN C C 13 175.65 0.009 . 1 . . . . 60 ASN C . 26752 1 291 . 1 1 65 65 ASN CA C 13 54.564 0.043 . 1 . . . . 60 ASN CA . 26752 1 292 . 1 1 65 65 ASN CB C 13 38.822 0.044 . 1 . . . . 60 ASN CB . 26752 1 293 . 1 1 65 65 ASN N N 15 116.966 0.033 . 1 . . . . 60 ASN N . 26752 1 294 . 1 1 66 66 LEU H H 1 7.828 0.003 . 1 . . . . 61 LEU H . 26752 1 295 . 1 1 66 66 LEU C C 13 177.709 0.065 . 1 . . . . 61 LEU C . 26752 1 296 . 1 1 66 66 LEU CA C 13 55.464 0.012 . 1 . . . . 61 LEU CA . 26752 1 297 . 1 1 66 66 LEU CB C 13 42.935 0.05 . 1 . . . . 61 LEU CB . 26752 1 298 . 1 1 66 66 LEU N N 15 119.442 0.053 . 1 . . . . 61 LEU N . 26752 1 299 . 1 1 67 67 ILE H H 1 7.22 0.014 . 1 . . . . 62 ILE H . 26752 1 300 . 1 1 67 67 ILE C C 13 174.448 0.016 . 1 . . . . 62 ILE C . 26752 1 301 . 1 1 67 67 ILE CA C 13 61.976 0.108 . 1 . . . . 62 ILE CA . 26752 1 302 . 1 1 67 67 ILE CB C 13 39.151 0.079 . 1 . . . . 62 ILE CB . 26752 1 303 . 1 1 67 67 ILE N N 15 119.366 0.062 . 1 . . . . 62 ILE N . 26752 1 304 . 1 1 68 68 GLN H H 1 8.746 0.003 . 1 . . . . 63 GLN H . 26752 1 305 . 1 1 68 68 GLN CA C 13 52.463 0 . 1 . . . . 63 GLN CA . 26752 1 306 . 1 1 68 68 GLN CB C 13 30.979 0 . 1 . . . . 63 GLN CB . 26752 1 307 . 1 1 68 68 GLN N N 15 125.232 0.08 . 1 . . . . 63 GLN N . 26752 1 308 . 1 1 69 69 PRO C C 13 177.067 0.042 . 1 . . . . 64 PRO C . 26752 1 309 . 1 1 69 69 PRO CA C 13 63.663 0.036 . 1 . . . . 64 PRO CA . 26752 1 310 . 1 1 69 69 PRO CB C 13 31.198 0.007 . 1 . . . . 64 PRO CB . 26752 1 311 . 1 1 70 70 GLY H H 1 9.391 0.002 . 1 . . . . 65 GLY H . 26752 1 312 . 1 1 70 70 GLY C C 13 173.512 0 . 1 . . . . 65 GLY C . 26752 1 313 . 1 1 70 70 GLY CA C 13 44.65 0.011 . 1 . . . . 65 GLY CA . 26752 1 314 . 1 1 70 70 GLY N N 15 114.893 0.043 . 1 . . . . 65 GLY N . 26752 1 315 . 1 1 71 71 ASP H H 1 7.907 0.002 . 1 . . . . 66 ASP H . 26752 1 316 . 1 1 71 71 ASP C C 13 174.706 0.032 . 1 . . . . 66 ASP C . 26752 1 317 . 1 1 71 71 ASP CA C 13 56.177 0.046 . 1 . . . . 66 ASP CA . 26752 1 318 . 1 1 71 71 ASP CB C 13 41.459 0.112 . 1 . . . . 66 ASP CB . 26752 1 319 . 1 1 71 71 ASP N N 15 121.684 0.029 . 1 . . . . 66 ASP N . 26752 1 320 . 1 1 72 72 ILE H H 1 8.389 0.003 . 1 . . . . 67 ILE H . 26752 1 321 . 1 1 72 72 ILE C C 13 175.286 0 . 1 . . . . 67 ILE C . 26752 1 322 . 1 1 72 72 ILE CA C 13 60.321 0.121 . 1 . . . . 67 ILE CA . 26752 1 323 . 1 1 72 72 ILE CB C 13 37.576 0.098 . 1 . . . . 67 ILE CB . 26752 1 324 . 1 1 72 72 ILE N N 15 122.603 0.084 . 1 . . . . 67 ILE N . 26752 1 325 . 1 1 73 73 ILE H H 1 9.131 0.005 . 1 . . . . 68 ILE H . 26752 1 326 . 1 1 73 73 ILE C C 13 172.706 0 . 1 . . . . 68 ILE C . 26752 1 327 . 1 1 73 73 ILE CA C 13 57.41 0 . 1 . . . . 68 ILE CA . 26752 1 328 . 1 1 73 73 ILE CB C 13 40.808 0.072 . 1 . . . . 68 ILE CB . 26752 1 329 . 1 1 73 73 ILE N N 15 128.465 0.07 . 1 . . . . 68 ILE N . 26752 1 330 . 1 1 74 74 ARG H H 1 8.894 0.005 . 1 . . . . 69 ARG H . 26752 1 331 . 1 1 74 74 ARG C C 13 175.136 0 . 1 . . . . 69 ARG C . 26752 1 332 . 1 1 74 74 ARG CA C 13 54.164 0.015 . 1 . . . . 69 ARG CA . 26752 1 333 . 1 1 74 74 ARG CB C 13 32.916 0.021 . 1 . . . . 69 ARG CB . 26752 1 334 . 1 1 74 74 ARG N N 15 123.395 0.115 . 1 . . . . 69 ARG N . 26752 1 335 . 1 1 75 75 LEU H H 1 9.123 0.004 . 1 . . . . 70 LEU H . 26752 1 336 . 1 1 75 75 LEU C C 13 175.262 0.131 . 1 . . . . 70 LEU C . 26752 1 337 . 1 1 75 75 LEU CA C 13 53.435 0.087 . 1 . . . . 70 LEU CA . 26752 1 338 . 1 1 75 75 LEU CB C 13 45.327 0.008 . 1 . . . . 70 LEU CB . 26752 1 339 . 1 1 75 75 LEU N N 15 133.476 0.013 . 1 . . . . 70 LEU N . 26752 1 340 . 1 1 76 76 THR H H 1 8.716 0.003 . 1 . . . . 71 THR H . 26752 1 341 . 1 1 76 76 THR C C 13 173.202 0.035 . 1 . . . . 71 THR C . 26752 1 342 . 1 1 76 76 THR CA C 13 60.039 0.095 . 1 . . . . 71 THR CA . 26752 1 343 . 1 1 76 76 THR CB C 13 71.314 0.069 . 1 . . . . 71 THR CB . 26752 1 344 . 1 1 76 76 THR N N 15 117.992 0.14 . 1 . . . . 71 THR N . 26752 1 345 . 1 1 77 77 LYS H H 1 8.19 0.002 . 1 . . . . 72 LYS H . 26752 1 346 . 1 1 77 77 LYS C C 13 177.118 0.049 . 1 . . . . 72 LYS C . 26752 1 347 . 1 1 77 77 LYS CA C 13 57.766 0.021 . 1 . . . . 72 LYS CA . 26752 1 348 . 1 1 77 77 LYS CB C 13 30.593 0.033 . 1 . . . . 72 LYS CB . 26752 1 349 . 1 1 77 77 LYS N N 15 117.06 0.089 . 1 . . . . 72 LYS N . 26752 1 350 . 1 1 78 78 GLY H H 1 9.591 0.014 . 1 . . . . 73 GLY H . 26752 1 351 . 1 1 78 78 GLY C C 13 172.517 0.019 . 1 . . . . 73 GLY C . 26752 1 352 . 1 1 78 78 GLY CA C 13 45.3 0.002 . 1 . . . . 73 GLY CA . 26752 1 353 . 1 1 78 78 GLY N N 15 108.107 0.053 . 1 . . . . 73 GLY N . 26752 1 354 . 1 1 79 79 TYR H H 1 8.765 0.001 . 1 . . . . 74 TYR H . 26752 1 355 . 1 1 79 79 TYR C C 13 172.03 0.041 . 1 . . . . 74 TYR C . 26752 1 356 . 1 1 79 79 TYR CA C 13 56.609 0.058 . 1 . . . . 74 TYR CA . 26752 1 357 . 1 1 79 79 TYR CB C 13 40.97 0.113 . 1 . . . . 74 TYR CB . 26752 1 358 . 1 1 79 79 TYR N N 15 115.675 0.034 . 1 . . . . 74 TYR N . 26752 1 359 . 1 1 80 80 ALA H H 1 8.223 0.007 . 1 . . . . 75 ALA H . 26752 1 360 . 1 1 80 80 ALA C C 13 177.631 0.02 . 1 . . . . 75 ALA C . 26752 1 361 . 1 1 80 80 ALA CA C 13 49.982 0.014 . 1 . . . . 75 ALA CA . 26752 1 362 . 1 1 80 80 ALA CB C 13 23.426 0.046 . 1 . . . . 75 ALA CB . 26752 1 363 . 1 1 80 80 ALA N N 15 121.257 0.059 . 1 . . . . 75 ALA N . 26752 1 364 . 1 1 81 81 SER H H 1 9.164 0.002 . 1 . . . . 76 SER H . 26752 1 365 . 1 1 81 81 SER C C 13 172.29 0.044 . 1 . . . . 76 SER C . 26752 1 366 . 1 1 81 81 SER CA C 13 56.548 0.017 . 1 . . . . 76 SER CA . 26752 1 367 . 1 1 81 81 SER CB C 13 65.74 0.056 . 1 . . . . 76 SER CB . 26752 1 368 . 1 1 81 81 SER N N 15 117.806 0.078 . 1 . . . . 76 SER N . 26752 1 369 . 1 1 82 82 VAL H H 1 8.741 0.002 . 1 . . . . 77 VAL H . 26752 1 370 . 1 1 82 82 VAL C C 13 175.107 0.039 . 1 . . . . 77 VAL C . 26752 1 371 . 1 1 82 82 VAL CA C 13 62.608 0.072 . 1 . . . . 77 VAL CA . 26752 1 372 . 1 1 82 82 VAL CB C 13 32.379 0.043 . 1 . . . . 77 VAL CB . 26752 1 373 . 1 1 82 82 VAL N N 15 122.93 0.036 . 1 . . . . 77 VAL N . 26752 1 374 . 1 1 83 83 PHE H H 1 8.731 0.013 . 1 . . . . 78 PHE H . 26752 1 375 . 1 1 83 83 PHE C C 13 175.041 0.006 . 1 . . . . 78 PHE C . 26752 1 376 . 1 1 83 83 PHE CA C 13 56.891 0.084 . 1 . . . . 78 PHE CA . 26752 1 377 . 1 1 83 83 PHE CB C 13 41.175 0.045 . 1 . . . . 78 PHE CB . 26752 1 378 . 1 1 83 83 PHE N N 15 129.745 0.079 . 1 . . . . 78 PHE N . 26752 1 379 . 1 1 84 84 LYS H H 1 9.313 0.012 . 1 . . . . 79 LYS H . 26752 1 380 . 1 1 84 84 LYS C C 13 176.394 0.049 . 1 . . . . 79 LYS C . 26752 1 381 . 1 1 84 84 LYS CA C 13 57.09 0.043 . 1 . . . . 79 LYS CA . 26752 1 382 . 1 1 84 84 LYS CB C 13 29.918 0.022 . 1 . . . . 79 LYS CB . 26752 1 383 . 1 1 84 84 LYS N N 15 129.85 0.056 . 1 . . . . 79 LYS N . 26752 1 384 . 1 1 85 85 GLY H H 1 8.152 0.006 . 1 . . . . 80 GLY H . 26752 1 385 . 1 1 85 85 GLY C C 13 173.594 0.13 . 1 . . . . 80 GLY C . 26752 1 386 . 1 1 85 85 GLY CA C 13 45.418 0.065 . 1 . . . . 80 GLY CA . 26752 1 387 . 1 1 85 85 GLY N N 15 102.702 0.036 . 1 . . . . 80 GLY N . 26752 1 388 . 1 1 86 86 CYS H H 1 7.717 0.002 . 1 . . . . 81 CYS H . 26752 1 389 . 1 1 86 86 CYS C C 13 175.902 0.01 . 1 . . . . 81 CYS C . 26752 1 390 . 1 1 86 86 CYS CA C 13 57.389 0.13 . 1 . . . . 81 CYS CA . 26752 1 391 . 1 1 86 86 CYS CB C 13 30.15 0.092 . 1 . . . . 81 CYS CB . 26752 1 392 . 1 1 86 86 CYS N N 15 117.726 0.032 . 1 . . . . 81 CYS N . 26752 1 393 . 1 1 87 87 LEU H H 1 9.735 0.003 . 1 . . . . 82 LEU H . 26752 1 394 . 1 1 87 87 LEU C C 13 174.595 0.095 . 1 . . . . 82 LEU C . 26752 1 395 . 1 1 87 87 LEU CA C 13 57.035 0.008 . 1 . . . . 82 LEU CA . 26752 1 396 . 1 1 87 87 LEU CB C 13 41.578 0.072 . 1 . . . . 82 LEU CB . 26752 1 397 . 1 1 87 87 LEU N N 15 133.725 0.053 . 1 . . . . 82 LEU N . 26752 1 398 . 1 1 88 88 THR H H 1 9.035 0.003 . 1 . . . . 83 THR H . 26752 1 399 . 1 1 88 88 THR C C 13 171.105 0.048 . 1 . . . . 83 THR C . 26752 1 400 . 1 1 88 88 THR CA C 13 62.853 0.153 . 1 . . . . 83 THR CA . 26752 1 401 . 1 1 88 88 THR CB C 13 72.951 0.128 . 1 . . . . 83 THR CB . 26752 1 402 . 1 1 88 88 THR N N 15 125.354 0.094 . 1 . . . . 83 THR N . 26752 1 403 . 1 1 89 89 LEU H H 1 8.486 0.005 . 1 . . . . 84 LEU H . 26752 1 404 . 1 1 89 89 LEU C C 13 173.663 0 . 1 . . . . 84 LEU C . 26752 1 405 . 1 1 89 89 LEU CA C 13 53.417 0.093 . 1 . . . . 84 LEU CA . 26752 1 406 . 1 1 89 89 LEU CB C 13 44.757 0.062 . 1 . . . . 84 LEU CB . 26752 1 407 . 1 1 89 89 LEU N N 15 125.441 0.1 . 1 . . . . 84 LEU N . 26752 1 408 . 1 1 90 90 TYR H H 1 8.651 0.005 . 1 . . . . 85 TYR H . 26752 1 409 . 1 1 90 90 TYR C C 13 175.546 0.07 . 1 . . . . 85 TYR C . 26752 1 410 . 1 1 90 90 TYR CA C 13 56.697 0.025 . 1 . . . . 85 TYR CA . 26752 1 411 . 1 1 90 90 TYR CB C 13 42.243 0.039 . 1 . . . . 85 TYR CB . 26752 1 412 . 1 1 90 90 TYR N N 15 118.838 0.082 . 1 . . . . 85 TYR N . 26752 1 413 . 1 1 91 91 THR H H 1 8.536 0.003 . 1 . . . . 86 THR H . 26752 1 414 . 1 1 91 91 THR C C 13 175.66 0.027 . 1 . . . . 86 THR C . 26752 1 415 . 1 1 91 91 THR CA C 13 62.464 0.069 . 1 . . . . 86 THR CA . 26752 1 416 . 1 1 91 91 THR CB C 13 69.033 0.123 . 1 . . . . 86 THR CB . 26752 1 417 . 1 1 91 91 THR N N 15 111.582 0.079 . 1 . . . . 86 THR N . 26752 1 418 . 1 1 92 92 GLY H H 1 8.358 0.002 . 1 . . . . 87 GLY H . 26752 1 419 . 1 1 92 92 GLY C C 13 174.209 0 . 1 . . . . 87 GLY C . 26752 1 420 . 1 1 92 92 GLY CA C 13 44.639 0.056 . 1 . . . . 87 GLY CA . 26752 1 421 . 1 1 92 92 GLY N N 15 112.096 0.04 . 1 . . . . 87 GLY N . 26752 1 422 . 1 1 93 93 ARG H H 1 8.684 0.001 . 1 . . . . 88 ARG H . 26752 1 423 . 1 1 93 93 ARG C C 13 177.993 0.011 . 1 . . . . 88 ARG C . 26752 1 424 . 1 1 93 93 ARG CA C 13 57.667 0.05 . 1 . . . . 88 ARG CA . 26752 1 425 . 1 1 93 93 ARG CB C 13 29.708 0.029 . 1 . . . . 88 ARG CB . 26752 1 426 . 1 1 93 93 ARG N N 15 122.229 0.016 . 1 . . . . 88 ARG N . 26752 1 427 . 1 1 94 94 GLY H H 1 8.993 0.003 . 1 . . . . 89 GLY H . 26752 1 428 . 1 1 94 94 GLY C C 13 174.796 0.034 . 1 . . . . 89 GLY C . 26752 1 429 . 1 1 94 94 GLY CA C 13 45.364 0.038 . 1 . . . . 89 GLY CA . 26752 1 430 . 1 1 94 94 GLY N N 15 113.214 0.047 . 1 . . . . 89 GLY N . 26752 1 431 . 1 1 95 95 GLY H H 1 8.1 0.002 . 1 . . . . 90 GLY H . 26752 1 432 . 1 1 95 95 GLY C C 13 172.481 0.084 . 1 . . . . 90 GLY C . 26752 1 433 . 1 1 95 95 GLY CA C 13 45.216 0.019 . 1 . . . . 90 GLY CA . 26752 1 434 . 1 1 95 95 GLY N N 15 109.124 0.018 . 1 . . . . 90 GLY N . 26752 1 435 . 1 1 96 96 ASP H H 1 8.313 0.002 . 1 . . . . 91 ASP H . 26752 1 436 . 1 1 96 96 ASP C C 13 173.495 0.017 . 1 . . . . 91 ASP C . 26752 1 437 . 1 1 96 96 ASP CA C 13 53.423 0.028 . 1 . . . . 91 ASP CA . 26752 1 438 . 1 1 96 96 ASP CB C 13 44.11 0.043 . 1 . . . . 91 ASP CB . 26752 1 439 . 1 1 96 96 ASP N N 15 118.878 0.039 . 1 . . . . 91 ASP N . 26752 1 440 . 1 1 97 97 LEU H H 1 8.204 0.001 . 1 . . . . 92 LEU H . 26752 1 441 . 1 1 97 97 LEU C C 13 175.281 0.015 . 1 . . . . 92 LEU C . 26752 1 442 . 1 1 97 97 LEU CA C 13 54.332 0.004 . 1 . . . . 92 LEU CA . 26752 1 443 . 1 1 97 97 LEU CB C 13 43.976 0.025 . 1 . . . . 92 LEU CB . 26752 1 444 . 1 1 97 97 LEU N N 15 121.621 0.024 . 1 . . . . 92 LEU N . 26752 1 445 . 1 1 98 98 GLN H H 1 8.391 0.002 . 1 . . . . 93 GLN H . 26752 1 446 . 1 1 98 98 GLN C C 13 174.581 0.095 . 1 . . . . 93 GLN C . 26752 1 447 . 1 1 98 98 GLN CA C 13 53.943 0.119 . 1 . . . . 93 GLN CA . 26752 1 448 . 1 1 98 98 GLN CB C 13 32.131 0.038 . 1 . . . . 93 GLN CB . 26752 1 449 . 1 1 98 98 GLN N N 15 122.014 0.07 . 1 . . . . 93 GLN N . 26752 1 450 . 1 1 99 99 LYS H H 1 9.02 0.002 . 1 . . . . 94 LYS H . 26752 1 451 . 1 1 99 99 LYS C C 13 177.294 0.07 . 1 . . . . 94 LYS C . 26752 1 452 . 1 1 99 99 LYS CA C 13 57.142 0.02 . 1 . . . . 94 LYS CA . 26752 1 453 . 1 1 99 99 LYS CB C 13 32.418 0.077 . 1 . . . . 94 LYS CB . 26752 1 454 . 1 1 99 99 LYS N N 15 127.264 0.057 . 1 . . . . 94 LYS N . 26752 1 455 . 1 1 100 100 ILE H H 1 9.118 0.006 . 1 . . . . 95 ILE H . 26752 1 456 . 1 1 100 100 ILE C C 13 175.685 0 . 1 . . . . 95 ILE C . 26752 1 457 . 1 1 100 100 ILE CA C 13 60.813 0.023 . 1 . . . . 95 ILE CA . 26752 1 458 . 1 1 100 100 ILE CB C 13 39.331 0 . 1 . . . . 95 ILE CB . 26752 1 459 . 1 1 100 100 ILE N N 15 122.183 0.109 . 1 . . . . 95 ILE N . 26752 1 460 . 1 1 101 101 GLY H H 1 7.745 0.018 . 1 . . . . 96 GLY H . 26752 1 461 . 1 1 101 101 GLY C C 13 171.246 0.019 . 1 . . . . 96 GLY C . 26752 1 462 . 1 1 101 101 GLY CA C 13 45.391 0.071 . 1 . . . . 96 GLY CA . 26752 1 463 . 1 1 101 101 GLY N N 15 109.906 0.015 . 1 . . . . 96 GLY N . 26752 1 464 . 1 1 102 102 GLU H H 1 8.57 0.005 . 1 . . . . 97 GLU H . 26752 1 465 . 1 1 102 102 GLU C C 13 176.84 0 . 1 . . . . 97 GLU C . 26752 1 466 . 1 1 102 102 GLU CA C 13 55.65 0.096 . 1 . . . . 97 GLU CA . 26752 1 467 . 1 1 102 102 GLU CB C 13 32.176 0 . 1 . . . . 97 GLU CB . 26752 1 468 . 1 1 102 102 GLU N N 15 117.828 0.05 . 1 . . . . 97 GLU N . 26752 1 469 . 1 1 103 103 PHE H H 1 8.209 0.006 . 1 . . . . 98 PHE H . 26752 1 470 . 1 1 103 103 PHE C C 13 176.456 0.069 . 1 . . . . 98 PHE C . 26752 1 471 . 1 1 103 103 PHE CA C 13 54.024 0 . 1 . . . . 98 PHE CA . 26752 1 472 . 1 1 103 103 PHE CB C 13 31.099 0.083 . 1 . . . . 98 PHE CB . 26752 1 473 . 1 1 103 103 PHE N N 15 115.6 0.061 . 1 . . . . 98 PHE N . 26752 1 474 . 1 1 104 104 CYS H H 1 8.807 0.015 . 1 . . . . 99 CYS H . 26752 1 475 . 1 1 104 104 CYS C C 13 173.469 0.058 . 1 . . . . 99 CYS C . 26752 1 476 . 1 1 104 104 CYS CA C 13 57.859 0.056 . 1 . . . . 99 CYS CA . 26752 1 477 . 1 1 104 104 CYS CB C 13 26.702 0.023 . 1 . . . . 99 CYS CB . 26752 1 478 . 1 1 104 104 CYS N N 15 121.427 0.039 . 1 . . . . 99 CYS N . 26752 1 479 . 1 1 105 105 MET H H 1 7.951 0.006 . 1 . . . . 100 MET H . 26752 1 480 . 1 1 105 105 MET C C 13 174.498 0.044 . 1 . . . . 100 MET C . 26752 1 481 . 1 1 105 105 MET CA C 13 55.556 0.03 . 1 . . . . 100 MET CA . 26752 1 482 . 1 1 105 105 MET CB C 13 36.454 0.015 . 1 . . . . 100 MET CB . 26752 1 483 . 1 1 105 105 MET N N 15 123.469 0.053 . 1 . . . . 100 MET N . 26752 1 484 . 1 1 106 106 VAL H H 1 8.49 0.003 . 1 . . . . 101 VAL H . 26752 1 485 . 1 1 106 106 VAL C C 13 174.752 0.048 . 1 . . . . 101 VAL C . 26752 1 486 . 1 1 106 106 VAL CA C 13 63.113 0.082 . 1 . . . . 101 VAL CA . 26752 1 487 . 1 1 106 106 VAL CB C 13 31.888 0.056 . 1 . . . . 101 VAL CB . 26752 1 488 . 1 1 106 106 VAL N N 15 126.771 0.034 . 1 . . . . 101 VAL N . 26752 1 489 . 1 1 107 107 TYR H H 1 7.904 0.002 . 1 . . . . 102 TYR H . 26752 1 490 . 1 1 107 107 TYR C C 13 173.067 0.039 . 1 . . . . 102 TYR C . 26752 1 491 . 1 1 107 107 TYR CA C 13 55.363 0.04 . 1 . . . . 102 TYR CA . 26752 1 492 . 1 1 107 107 TYR CB C 13 40.784 0.041 . 1 . . . . 102 TYR CB . 26752 1 493 . 1 1 107 107 TYR N N 15 120.547 0.096 . 1 . . . . 102 TYR N . 26752 1 494 . 1 1 108 108 SER H H 1 8.411 0.002 . 1 . . . . 103 SER H . 26752 1 495 . 1 1 108 108 SER C C 13 173.641 0.049 . 1 . . . . 103 SER C . 26752 1 496 . 1 1 108 108 SER CA C 13 56.181 0.087 . 1 . . . . 103 SER CA . 26752 1 497 . 1 1 108 108 SER CB C 13 65.483 0.076 . 1 . . . . 103 SER CB . 26752 1 498 . 1 1 108 108 SER N N 15 115.79 0.061 . 1 . . . . 103 SER N . 26752 1 499 . 1 1 109 109 GLU H H 1 9.19 0.003 . 1 . . . . 104 GLU H . 26752 1 500 . 1 1 109 109 GLU C C 13 176.29 0 . 1 . . . . 104 GLU C . 26752 1 501 . 1 1 109 109 GLU CA C 13 58.234 0 . 1 . . . . 104 GLU CA . 26752 1 502 . 1 1 109 109 GLU CB C 13 30.547 0 . 1 . . . . 104 GLU CB . 26752 1 503 . 1 1 109 109 GLU N N 15 122.606 0.069 . 1 . . . . 104 GLU N . 26752 1 504 . 1 1 111 111 PRO C C 13 173.404 0.016 . 1 . . . . 106 PRO C . 26752 1 505 . 1 1 111 111 PRO CA C 13 62.527 0.048 . 1 . . . . 106 PRO CA . 26752 1 506 . 1 1 111 111 PRO CB C 13 33.838 0.059 . 1 . . . . 106 PRO CB . 26752 1 507 . 1 1 112 112 ASN H H 1 8.408 0.001 . 1 . . . . 107 ASN H . 26752 1 508 . 1 1 112 112 ASN C C 13 177.774 0.003 . 1 . . . . 107 ASN C . 26752 1 509 . 1 1 112 112 ASN CA C 13 50.824 0.056 . 1 . . . . 107 ASN CA . 26752 1 510 . 1 1 112 112 ASN CB C 13 37.999 0.014 . 1 . . . . 107 ASN CB . 26752 1 511 . 1 1 112 112 ASN N N 15 117.691 0.058 . 1 . . . . 107 ASN N . 26752 1 512 . 1 1 113 113 PHE H H 1 9.66 0.004 . 1 . . . . 108 PHE H . 26752 1 513 . 1 1 113 113 PHE C C 13 177.119 0.068 . 1 . . . . 108 PHE C . 26752 1 514 . 1 1 113 113 PHE CA C 13 61.528 0.141 . 1 . . . . 108 PHE CA . 26752 1 515 . 1 1 113 113 PHE CB C 13 38.211 0.088 . 1 . . . . 108 PHE CB . 26752 1 516 . 1 1 113 113 PHE N N 15 125.63 0.057 . 1 . . . . 108 PHE N . 26752 1 517 . 1 1 114 114 SER H H 1 8.481 0.004 . 1 . . . . 109 SER H . 26752 1 518 . 1 1 114 114 SER C C 13 173.474 0.032 . 1 . . . . 109 SER C . 26752 1 519 . 1 1 114 114 SER CA C 13 59.525 0.002 . 1 . . . . 109 SER CA . 26752 1 520 . 1 1 114 114 SER CB C 13 63.878 0.032 . 1 . . . . 109 SER CB . 26752 1 521 . 1 1 114 114 SER N N 15 115.893 0.043 . 1 . . . . 109 SER N . 26752 1 522 . 1 1 115 115 GLU H H 1 7.117 0.019 . 1 . . . . 110 GLU H . 26752 1 523 . 1 1 115 115 GLU C C 13 174.871 0 . 1 . . . . 110 GLU C . 26752 1 524 . 1 1 115 115 GLU CA C 13 55.302 0 . 1 . . . . 110 GLU CA . 26752 1 525 . 1 1 115 115 GLU CB C 13 29.138 0 . 1 . . . . 110 GLU CB . 26752 1 526 . 1 1 115 115 GLU N N 15 122.341 0.036 . 1 . . . . 110 GLU N . 26752 1 527 . 1 1 116 116 PRO C C 13 176.7 0.031 . 1 . . . . 111 PRO C . 26752 1 528 . 1 1 116 116 PRO CA C 13 63.87 0 . 1 . . . . 111 PRO CA . 26752 1 529 . 1 1 116 116 PRO CB C 13 31.627 0.013 . 1 . . . . 111 PRO CB . 26752 1 530 . 1 1 117 117 ASN H H 1 8.457 0.001 . 1 . . . . 112 ASN H . 26752 1 531 . 1 1 117 117 ASN CA C 13 50.533 0 . 1 . . . . 112 ASN CA . 26752 1 532 . 1 1 117 117 ASN CB C 13 39.715 0 . 1 . . . . 112 ASN CB . 26752 1 533 . 1 1 117 117 ASN N N 15 121.881 0.068 . 1 . . . . 112 ASN N . 26752 1 534 . 1 1 118 118 PRO C C 13 177.836 0 . 1 . . . . 113 PRO C . 26752 1 535 . 1 1 118 118 PRO CA C 13 64.383 0.154 . 1 . . . . 113 PRO CA . 26752 1 536 . 1 1 118 118 PRO CB C 13 32.2 0 . 1 . . . . 113 PRO CB . 26752 1 537 . 1 1 119 119 GLU H H 1 8.305 0.001 . 1 . . . . 114 GLU H . 26752 1 538 . 1 1 119 119 GLU C C 13 177.445 0.038 . 1 . . . . 114 GLU C . 26752 1 539 . 1 1 119 119 GLU CA C 13 57.528 0.098 . 1 . . . . 114 GLU CA . 26752 1 540 . 1 1 119 119 GLU CB C 13 29.575 0.062 . 1 . . . . 114 GLU CB . 26752 1 541 . 1 1 119 119 GLU N N 15 118.213 0.03 . 1 . . . . 114 GLU N . 26752 1 542 . 1 1 120 120 TYR H H 1 7.8 0.001 . 1 . . . . 115 TYR H . 26752 1 543 . 1 1 120 120 TYR C C 13 176.494 0.018 . 1 . . . . 115 TYR C . 26752 1 544 . 1 1 120 120 TYR CA C 13 57.005 0.037 . 1 . . . . 115 TYR CA . 26752 1 545 . 1 1 120 120 TYR CB C 13 38.214 0.073 . 1 . . . . 115 TYR CB . 26752 1 546 . 1 1 120 120 TYR N N 15 118.555 0.013 . 1 . . . . 115 TYR N . 26752 1 547 . 1 1 121 121 SER H H 1 7.927 0.003 . 1 . . . . 116 SER H . 26752 1 548 . 1 1 121 121 SER C C 13 174.754 0.025 . 1 . . . . 116 SER C . 26752 1 549 . 1 1 121 121 SER CA C 13 58.788 0.13 . 1 . . . . 116 SER CA . 26752 1 550 . 1 1 121 121 SER CB C 13 63.869 0.008 . 1 . . . . 116 SER CB . 26752 1 551 . 1 1 121 121 SER N N 15 116.141 0.082 . 1 . . . . 116 SER N . 26752 1 552 . 1 1 122 122 THR H H 1 8.072 0.001 . 1 . . . . 117 THR H . 26752 1 553 . 1 1 122 122 THR CA C 13 62.138 0.04 . 1 . . . . 117 THR CA . 26752 1 554 . 1 1 122 122 THR CB C 13 69.63 0.04 . 1 . . . . 117 THR CB . 26752 1 555 . 1 1 122 122 THR N N 15 115.421 0.02 . 1 . . . . 117 THR N . 26752 1 556 . 1 1 123 123 GLN H H 1 8.248 0 . 1 . . . . 118 GLN H . 26752 1 557 . 1 1 123 123 GLN C C 13 175.829 0.005 . 1 . . . . 118 GLN C . 26752 1 558 . 1 1 123 123 GLN CA C 13 55.963 0.082 . 1 . . . . 118 GLN CA . 26752 1 559 . 1 1 123 123 GLN CB C 13 29.426 0.021 . 1 . . . . 118 GLN CB . 26752 1 560 . 1 1 123 123 GLN N N 15 122.501 0.047 . 1 . . . . 118 GLN N . 26752 1 561 . 1 1 124 124 GLN H H 1 8.338 0.001 . 1 . . . . 119 GLN H . 26752 1 562 . 1 1 124 124 GLN C C 13 175.478 0.092 . 1 . . . . 119 GLN C . 26752 1 563 . 1 1 124 124 GLN CA C 13 55.628 0.061 . 1 . . . . 119 GLN CA . 26752 1 564 . 1 1 124 124 GLN CB C 13 29.63 0.046 . 1 . . . . 119 GLN CB . 26752 1 565 . 1 1 124 124 GLN N N 15 121.813 0.014 . 1 . . . . 119 GLN N . 26752 1 566 . 1 1 125 125 ALA H H 1 8.383 0.001 . 1 . . . . 120 ALA H . 26752 1 567 . 1 1 125 125 ALA CA C 13 50.631 0 . 1 . . . . 120 ALA CA . 26752 1 568 . 1 1 125 125 ALA CB C 13 18.21 0 . 1 . . . . 120 ALA CB . 26752 1 569 . 1 1 125 125 ALA N N 15 127.175 0.011 . 1 . . . . 120 ALA N . 26752 1 570 . 1 1 126 126 PRO C C 13 176.753 0.005 . 1 . . . . 121 PRO C . 26752 1 571 . 1 1 126 126 PRO CA C 13 63.071 0.082 . 1 . . . . 121 PRO CA . 26752 1 572 . 1 1 126 126 PRO CB C 13 32.115 0.047 . 1 . . . . 121 PRO CB . 26752 1 573 . 1 1 127 127 ASN H H 1 8.463 0.002 . 1 . . . . 122 ASN H . 26752 1 574 . 1 1 127 127 ASN C C 13 174.192 0.015 . 1 . . . . 122 ASN C . 26752 1 575 . 1 1 127 127 ASN CA C 13 53.386 0.059 . 1 . . . . 122 ASN CA . 26752 1 576 . 1 1 127 127 ASN CB C 13 38.908 0.044 . 1 . . . . 122 ASN CB . 26752 1 577 . 1 1 127 127 ASN N N 15 119.018 0.015 . 1 . . . . 122 ASN N . 26752 1 578 . 1 1 128 128 LYS H H 1 7.854 0.001 . 1 . . . . 123 LYS H . 26752 1 579 . 1 1 128 128 LYS C C 13 181.098 0 . 1 . . . . 123 LYS C . 26752 1 580 . 1 1 128 128 LYS CA C 13 57.693 0 . 1 . . . . 123 LYS CA . 26752 1 581 . 1 1 128 128 LYS CB C 13 33.814 0 . 1 . . . . 123 LYS CB . 26752 1 582 . 1 1 128 128 LYS N N 15 126.401 0.01 . 1 . . . . 123 LYS N . 26752 1 stop_ save_