data_27944 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27944 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for ribosomal protein bL12 S89C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-16 _Entry.Accession_date 2019-06-16 _Entry.Last_release_date 2019-06-17 _Entry.Original_release_date 2019-06-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _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 Xiaolin Wang . . . . 27944 2 John Kirkpatrick . P. . . 27944 3 Helene Launay . M.M . . 27944 4 Alfonso 'de Simone' . . . . 27944 5 Daniel Haussinger . . . . 27944 6 Christopher Dobson . M. . . 27944 7 Michele Vendruscolo . . . . 27944 8 Lisa Cabrita . D. . . 27944 9 Christopher Waudby . A. . . 27944 10 John Christodoulou . . . . 27944 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27944 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 353 27944 '15N chemical shifts' 117 27944 '1H chemical shifts' 117 27944 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 1 . . 2019-09-25 . original BMRB . 27944 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27948 'bL12 dimer (with LBT tag)' 27944 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 27944 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31537834 _Citation.Full_citation . _Citation.Title ; Probing the dynamic stalk region of the ribosome using solution NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _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 13528 _Citation.Page_last 13528 _Citation.Year 2019 _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 Xiaolin Wang . . . . 27944 1 2 John Kirkpatrick . P. . . 27944 1 3 Helene Launay . M.M . . 27944 1 4 Alfonso 'de Simone' . . . . 27944 1 5 Daniel Haussinger . . . . 27944 1 6 Christopher Dobson . M. . . 27944 1 7 Michele Vendruscolo . . . . 27944 1 8 Lisa Cabrita . D. . . 27944 1 9 Christopher Waudby . A. . . 27944 1 10 John Christodoulou . . . . 27944 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 27944 1 bL12 27944 1 'lanthanide binding tag' 27944 1 ribosome 27944 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27944 _Assembly.ID 1 _Assembly.Name 'bL12 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 24000 _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 'bL12, 1' 1 $bL12_S89C A . yes native no no 1 . homodimer 27944 1 2 'bL12, 2' 1 $bL12_S89C B . no native no no 1 . homodimer 27944 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bL12_S89C _Entity.Sf_category entity _Entity.Sf_framecode bL12_S89C _Entity.Entry_ID 27944 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bL12_S89C _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 ; MSITKDQIIEAVAAMSVMDV VELISAMEEKFGVSAAAAVA VAAGPVEAAEEKTEFDVILK AAGANKVAVIKAVRGATGLG LKEAKDLVECAPAALKEGVS KDDAEALKKALEEAGAEVEV K ; _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 121 _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 0 MET . 27944 1 2 1 SER . 27944 1 3 2 ILE . 27944 1 4 3 THR . 27944 1 5 4 LYS . 27944 1 6 5 ASP . 27944 1 7 6 GLN . 27944 1 8 7 ILE . 27944 1 9 8 ILE . 27944 1 10 9 GLU . 27944 1 11 10 ALA . 27944 1 12 11 VAL . 27944 1 13 12 ALA . 27944 1 14 13 ALA . 27944 1 15 14 MET . 27944 1 16 15 SER . 27944 1 17 16 VAL . 27944 1 18 17 MET . 27944 1 19 18 ASP . 27944 1 20 19 VAL . 27944 1 21 20 VAL . 27944 1 22 21 GLU . 27944 1 23 22 LEU . 27944 1 24 23 ILE . 27944 1 25 24 SER . 27944 1 26 25 ALA . 27944 1 27 26 MET . 27944 1 28 27 GLU . 27944 1 29 28 GLU . 27944 1 30 29 LYS . 27944 1 31 30 PHE . 27944 1 32 31 GLY . 27944 1 33 32 VAL . 27944 1 34 33 SER . 27944 1 35 34 ALA . 27944 1 36 35 ALA . 27944 1 37 36 ALA . 27944 1 38 37 ALA . 27944 1 39 38 VAL . 27944 1 40 39 ALA . 27944 1 41 40 VAL . 27944 1 42 41 ALA . 27944 1 43 42 ALA . 27944 1 44 43 GLY . 27944 1 45 44 PRO . 27944 1 46 45 VAL . 27944 1 47 46 GLU . 27944 1 48 47 ALA . 27944 1 49 48 ALA . 27944 1 50 49 GLU . 27944 1 51 50 GLU . 27944 1 52 51 LYS . 27944 1 53 52 THR . 27944 1 54 53 GLU . 27944 1 55 54 PHE . 27944 1 56 55 ASP . 27944 1 57 56 VAL . 27944 1 58 57 ILE . 27944 1 59 58 LEU . 27944 1 60 59 LYS . 27944 1 61 60 ALA . 27944 1 62 61 ALA . 27944 1 63 62 GLY . 27944 1 64 63 ALA . 27944 1 65 64 ASN . 27944 1 66 65 LYS . 27944 1 67 66 VAL . 27944 1 68 67 ALA . 27944 1 69 68 VAL . 27944 1 70 69 ILE . 27944 1 71 70 LYS . 27944 1 72 71 ALA . 27944 1 73 72 VAL . 27944 1 74 73 ARG . 27944 1 75 74 GLY . 27944 1 76 75 ALA . 27944 1 77 76 THR . 27944 1 78 77 GLY . 27944 1 79 78 LEU . 27944 1 80 79 GLY . 27944 1 81 80 LEU . 27944 1 82 81 LYS . 27944 1 83 82 GLU . 27944 1 84 83 ALA . 27944 1 85 84 LYS . 27944 1 86 85 ASP . 27944 1 87 86 LEU . 27944 1 88 87 VAL . 27944 1 89 88 GLU . 27944 1 90 89 CYS . 27944 1 91 90 ALA . 27944 1 92 91 PRO . 27944 1 93 92 ALA . 27944 1 94 93 ALA . 27944 1 95 94 LEU . 27944 1 96 95 LYS . 27944 1 97 96 GLU . 27944 1 98 97 GLY . 27944 1 99 98 VAL . 27944 1 100 99 SER . 27944 1 101 100 LYS . 27944 1 102 101 ASP . 27944 1 103 102 ASP . 27944 1 104 103 ALA . 27944 1 105 104 GLU . 27944 1 106 105 ALA . 27944 1 107 106 LEU . 27944 1 108 107 LYS . 27944 1 109 108 LYS . 27944 1 110 109 ALA . 27944 1 111 110 LEU . 27944 1 112 111 GLU . 27944 1 113 112 GLU . 27944 1 114 113 ALA . 27944 1 115 114 GLY . 27944 1 116 115 ALA . 27944 1 117 116 GLU . 27944 1 118 117 VAL . 27944 1 119 118 GLU . 27944 1 120 119 VAL . 27944 1 121 120 LYS . 27944 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27944 1 . SER 2 2 27944 1 . ILE 3 3 27944 1 . THR 4 4 27944 1 . LYS 5 5 27944 1 . ASP 6 6 27944 1 . GLN 7 7 27944 1 . ILE 8 8 27944 1 . ILE 9 9 27944 1 . GLU 10 10 27944 1 . ALA 11 11 27944 1 . VAL 12 12 27944 1 . ALA 13 13 27944 1 . ALA 14 14 27944 1 . MET 15 15 27944 1 . SER 16 16 27944 1 . VAL 17 17 27944 1 . MET 18 18 27944 1 . ASP 19 19 27944 1 . VAL 20 20 27944 1 . VAL 21 21 27944 1 . GLU 22 22 27944 1 . LEU 23 23 27944 1 . ILE 24 24 27944 1 . SER 25 25 27944 1 . ALA 26 26 27944 1 . MET 27 27 27944 1 . GLU 28 28 27944 1 . GLU 29 29 27944 1 . LYS 30 30 27944 1 . PHE 31 31 27944 1 . GLY 32 32 27944 1 . VAL 33 33 27944 1 . SER 34 34 27944 1 . ALA 35 35 27944 1 . ALA 36 36 27944 1 . ALA 37 37 27944 1 . ALA 38 38 27944 1 . VAL 39 39 27944 1 . ALA 40 40 27944 1 . VAL 41 41 27944 1 . ALA 42 42 27944 1 . ALA 43 43 27944 1 . GLY 44 44 27944 1 . PRO 45 45 27944 1 . VAL 46 46 27944 1 . GLU 47 47 27944 1 . ALA 48 48 27944 1 . ALA 49 49 27944 1 . GLU 50 50 27944 1 . GLU 51 51 27944 1 . LYS 52 52 27944 1 . THR 53 53 27944 1 . GLU 54 54 27944 1 . PHE 55 55 27944 1 . ASP 56 56 27944 1 . VAL 57 57 27944 1 . ILE 58 58 27944 1 . LEU 59 59 27944 1 . LYS 60 60 27944 1 . ALA 61 61 27944 1 . ALA 62 62 27944 1 . GLY 63 63 27944 1 . ALA 64 64 27944 1 . ASN 65 65 27944 1 . LYS 66 66 27944 1 . VAL 67 67 27944 1 . ALA 68 68 27944 1 . VAL 69 69 27944 1 . ILE 70 70 27944 1 . LYS 71 71 27944 1 . ALA 72 72 27944 1 . VAL 73 73 27944 1 . ARG 74 74 27944 1 . GLY 75 75 27944 1 . ALA 76 76 27944 1 . THR 77 77 27944 1 . GLY 78 78 27944 1 . LEU 79 79 27944 1 . GLY 80 80 27944 1 . LEU 81 81 27944 1 . LYS 82 82 27944 1 . GLU 83 83 27944 1 . ALA 84 84 27944 1 . LYS 85 85 27944 1 . ASP 86 86 27944 1 . LEU 87 87 27944 1 . VAL 88 88 27944 1 . GLU 89 89 27944 1 . CYS 90 90 27944 1 . ALA 91 91 27944 1 . PRO 92 92 27944 1 . ALA 93 93 27944 1 . ALA 94 94 27944 1 . LEU 95 95 27944 1 . LYS 96 96 27944 1 . GLU 97 97 27944 1 . GLY 98 98 27944 1 . VAL 99 99 27944 1 . SER 100 100 27944 1 . LYS 101 101 27944 1 . ASP 102 102 27944 1 . ASP 103 103 27944 1 . ALA 104 104 27944 1 . GLU 105 105 27944 1 . ALA 106 106 27944 1 . LEU 107 107 27944 1 . LYS 108 108 27944 1 . LYS 109 109 27944 1 . ALA 110 110 27944 1 . LEU 111 111 27944 1 . GLU 112 112 27944 1 . GLU 113 113 27944 1 . ALA 114 114 27944 1 . GLY 115 115 27944 1 . ALA 116 116 27944 1 . GLU 117 117 27944 1 . VAL 118 118 27944 1 . GLU 119 119 27944 1 . VAL 120 120 27944 1 . LYS 121 121 27944 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 27944 _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 $bL12_S89C . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . rplL . 27944 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 27944 _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 $bL12_S89C . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21b(+) . . . 27944 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27944 _Sample.ID 1 _Sample.Name . _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 'bL12 S89C' '[U-13C; U-15N]' . . 1 $bL12_S89C . . 0.9 . . mM . . . . 27944 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 27944 1 3 'magnisium chloride' 'natural abundance' . . . . . . 12 . . mM . . . . 27944 1 4 'ammonium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 27944 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 27944 1 6 DSS 'natural abundance' . . . . . . 0.001 . . % . . . . 27944 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 27944 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 42 . mM 27944 1 pH 7.6 . pH 27944 1 pressure 1 . atm 27944 1 temperature 298 . K 27944 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27944 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 'Version2.4, release 2' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN ; Department of Biochemistry University of Cambridge 80 Tennis Court Road Old Addenbrooke's Site Cambridge CB2 1GA United Kingdom ; https://www.ccpn.ac.uk/v2-software/software/analysis 27944 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27944 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 27944 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27944 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27944 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 27944 _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 . . . . . . . . . . . . . . . . 27944 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27944 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27944 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27944 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27944 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 27944 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27944 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_bL12_S89C_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode bL12_S89C_shift_list _Assigned_chem_shift_list.Entry_ID 27944 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $DSS _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' . . . 27944 1 2 '3D HNCO' . . . 27944 1 3 '3D HNCACB' . . . 27944 1 4 '3D HN(CO)CACB' . . . 27944 1 5 '3D HN(CA)CO' . . . 27944 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 1 1 MET C C 13 177.218 0.000 . 1 . . . . . 0 MET C . 27944 1 2 . 1 1 2 2 SER H H 1 8.302 0.000 . 1 . . . . . 1 SER H . 27944 1 3 . 1 1 2 2 SER C C 13 174.357 0.000 . 1 . . . . . 1 SER C . 27944 1 4 . 1 1 2 2 SER CA C 13 58.598 0.000 . 1 . . . . . 1 SER CA . 27944 1 5 . 1 1 2 2 SER CB C 13 63.982 0.000 . 1 . . . . . 1 SER CB . 27944 1 6 . 1 1 2 2 SER N N 15 121.855 0.004 . 1 . . . . . 1 SER N . 27944 1 7 . 1 1 3 3 ILE H H 1 7.962 0.002 . 1 . . . . . 2 ILE H . 27944 1 8 . 1 1 3 3 ILE C C 13 175.901 0.000 . 1 . . . . . 2 ILE C . 27944 1 9 . 1 1 3 3 ILE CA C 13 61.029 0.000 . 1 . . . . . 2 ILE CA . 27944 1 10 . 1 1 3 3 ILE CB C 13 39.403 0.000 . 1 . . . . . 2 ILE CB . 27944 1 11 . 1 1 3 3 ILE N N 15 121.313 0.006 . 1 . . . . . 2 ILE N . 27944 1 12 . 1 1 4 4 THR H H 1 8.242 0.002 . 1 . . . . . 3 THR H . 27944 1 13 . 1 1 4 4 THR C C 13 175.632 0.000 . 1 . . . . . 3 THR C . 27944 1 14 . 1 1 4 4 THR CA C 13 60.212 0.000 . 1 . . . . . 3 THR CA . 27944 1 15 . 1 1 4 4 THR CB C 13 72.003 0.000 . 1 . . . . . 3 THR CB . 27944 1 16 . 1 1 4 4 THR N N 15 115.584 0.005 . 1 . . . . . 3 THR N . 27944 1 17 . 1 1 5 5 LYS H H 1 8.929 0.000 . 1 . . . . . 4 LYS H . 27944 1 18 . 1 1 5 5 LYS C C 13 177.685 0.000 . 1 . . . . . 4 LYS C . 27944 1 19 . 1 1 5 5 LYS CA C 13 60.676 0.000 . 1 . . . . . 4 LYS CA . 27944 1 20 . 1 1 5 5 LYS CB C 13 31.877 0.000 . 1 . . . . . 4 LYS CB . 27944 1 21 . 1 1 5 5 LYS N N 15 120.219 0.014 . 1 . . . . . 4 LYS N . 27944 1 22 . 1 1 6 6 ASP H H 1 8.208 0.000 . 1 . . . . . 5 ASP H . 27944 1 23 . 1 1 6 6 ASP C C 13 178.951 0.000 . 1 . . . . . 5 ASP C . 27944 1 24 . 1 1 6 6 ASP CA C 13 57.579 0.000 . 1 . . . . . 5 ASP CA . 27944 1 25 . 1 1 6 6 ASP CB C 13 40.236 0.000 . 1 . . . . . 5 ASP CB . 27944 1 26 . 1 1 6 6 ASP N N 15 116.269 0.003 . 1 . . . . . 5 ASP N . 27944 1 27 . 1 1 7 7 GLN H H 1 7.667 0.001 . 1 . . . . . 6 GLN H . 27944 1 28 . 1 1 7 7 GLN C C 13 179.584 0.000 . 1 . . . . . 6 GLN C . 27944 1 29 . 1 1 7 7 GLN CA C 13 58.931 0.000 . 1 . . . . . 6 GLN CA . 27944 1 30 . 1 1 7 7 GLN CB C 13 29.373 0.000 . 1 . . . . . 6 GLN CB . 27944 1 31 . 1 1 7 7 GLN N N 15 119.271 0.003 . 1 . . . . . 6 GLN N . 27944 1 32 . 1 1 8 8 ILE H H 1 8.048 0.002 . 1 . . . . . 7 ILE H . 27944 1 33 . 1 1 8 8 ILE C C 13 176.796 0.000 . 1 . . . . . 7 ILE C . 27944 1 34 . 1 1 8 8 ILE CA C 13 66.225 0.000 . 1 . . . . . 7 ILE CA . 27944 1 35 . 1 1 8 8 ILE CB C 13 37.689 0.000 . 1 . . . . . 7 ILE CB . 27944 1 36 . 1 1 8 8 ILE N N 15 121.268 0.015 . 1 . . . . . 7 ILE N . 27944 1 37 . 1 1 9 9 ILE H H 1 8.202 0.001 . 1 . . . . . 8 ILE H . 27944 1 38 . 1 1 9 9 ILE C C 13 177.945 0.000 . 1 . . . . . 8 ILE C . 27944 1 39 . 1 1 9 9 ILE CA C 13 64.714 0.000 . 1 . . . . . 8 ILE CA . 27944 1 40 . 1 1 9 9 ILE CB C 13 36.858 0.000 . 1 . . . . . 8 ILE CB . 27944 1 41 . 1 1 9 9 ILE N N 15 119.459 0.005 . 1 . . . . . 8 ILE N . 27944 1 42 . 1 1 10 10 GLU H H 1 7.777 0.001 . 1 . . . . . 9 GLU H . 27944 1 43 . 1 1 10 10 GLU C C 13 178.839 0.000 . 1 . . . . . 9 GLU C . 27944 1 44 . 1 1 10 10 GLU CA C 13 59.318 0.000 . 1 . . . . . 9 GLU CA . 27944 1 45 . 1 1 10 10 GLU CB C 13 29.881 0.000 . 1 . . . . . 9 GLU CB . 27944 1 46 . 1 1 10 10 GLU N N 15 118.401 0.004 . 1 . . . . . 9 GLU N . 27944 1 47 . 1 1 11 11 ALA H H 1 7.827 0.001 . 1 . . . . . 10 ALA H . 27944 1 48 . 1 1 11 11 ALA C C 13 181.123 0.000 . 1 . . . . . 10 ALA C . 27944 1 49 . 1 1 11 11 ALA CA C 13 54.968 0.000 . 1 . . . . . 10 ALA CA . 27944 1 50 . 1 1 11 11 ALA CB C 13 18.585 0.000 . 1 . . . . . 10 ALA CB . 27944 1 51 . 1 1 11 11 ALA N N 15 121.659 0.010 . 1 . . . . . 10 ALA N . 27944 1 52 . 1 1 12 12 VAL H H 1 8.520 0.001 . 1 . . . . . 11 VAL H . 27944 1 53 . 1 1 12 12 VAL C C 13 177.751 0.000 . 1 . . . . . 11 VAL C . 27944 1 54 . 1 1 12 12 VAL CA C 13 64.965 0.000 . 1 . . . . . 11 VAL CA . 27944 1 55 . 1 1 12 12 VAL CB C 13 31.561 0.000 . 1 . . . . . 11 VAL CB . 27944 1 56 . 1 1 12 12 VAL N N 15 118.289 0.004 . 1 . . . . . 11 VAL N . 27944 1 57 . 1 1 13 13 ALA H H 1 7.825 0.001 . 1 . . . . . 12 ALA H . 27944 1 58 . 1 1 13 13 ALA C C 13 177.954 0.000 . 1 . . . . . 12 ALA C . 27944 1 59 . 1 1 13 13 ALA CA C 13 54.668 0.000 . 1 . . . . . 12 ALA CA . 27944 1 60 . 1 1 13 13 ALA CB C 13 18.258 0.000 . 1 . . . . . 12 ALA CB . 27944 1 61 . 1 1 13 13 ALA N N 15 121.103 0.012 . 1 . . . . . 12 ALA N . 27944 1 62 . 1 1 14 14 ALA H H 1 7.161 0.001 . 1 . . . . . 13 ALA H . 27944 1 63 . 1 1 14 14 ALA C C 13 177.819 0.000 . 1 . . . . . 13 ALA C . 27944 1 64 . 1 1 14 14 ALA CA C 13 51.799 0.000 . 1 . . . . . 13 ALA CA . 27944 1 65 . 1 1 14 14 ALA CB C 13 19.566 0.000 . 1 . . . . . 13 ALA CB . 27944 1 66 . 1 1 14 14 ALA N N 15 117.396 0.002 . 1 . . . . . 13 ALA N . 27944 1 67 . 1 1 15 15 MET H H 1 7.549 0.002 . 1 . . . . . 14 MET H . 27944 1 68 . 1 1 15 15 MET C C 13 175.884 0.000 . 1 . . . . . 14 MET C . 27944 1 69 . 1 1 15 15 MET CA C 13 56.563 0.000 . 1 . . . . . 14 MET CA . 27944 1 70 . 1 1 15 15 MET CB C 13 34.421 0.000 . 1 . . . . . 14 MET CB . 27944 1 71 . 1 1 15 15 MET N N 15 119.927 0.003 . 1 . . . . . 14 MET N . 27944 1 72 . 1 1 16 16 SER H H 1 8.978 0.001 . 1 . . . . . 15 SER H . 27944 1 73 . 1 1 16 16 SER C C 13 175.391 0.000 . 1 . . . . . 15 SER C . 27944 1 74 . 1 1 16 16 SER CA C 13 57.560 0.000 . 1 . . . . . 15 SER CA . 27944 1 75 . 1 1 16 16 SER CB C 13 64.883 0.000 . 1 . . . . . 15 SER CB . 27944 1 76 . 1 1 16 16 SER N N 15 117.016 0.006 . 1 . . . . . 15 SER N . 27944 1 77 . 1 1 17 17 VAL H H 1 8.706 0.001 . 1 . . . . . 16 VAL H . 27944 1 78 . 1 1 17 17 VAL C C 13 177.462 0.000 . 1 . . . . . 16 VAL C . 27944 1 79 . 1 1 17 17 VAL CA C 13 66.696 0.000 . 1 . . . . . 16 VAL CA . 27944 1 80 . 1 1 17 17 VAL CB C 13 31.612 0.000 . 1 . . . . . 16 VAL CB . 27944 1 81 . 1 1 17 17 VAL N N 15 121.331 0.012 . 1 . . . . . 16 VAL N . 27944 1 82 . 1 1 18 18 MET H H 1 8.151 0.001 . 1 . . . . . 17 MET H . 27944 1 83 . 1 1 18 18 MET C C 13 178.757 0.000 . 1 . . . . . 17 MET C . 27944 1 84 . 1 1 18 18 MET CA C 13 58.526 0.000 . 1 . . . . . 17 MET CA . 27944 1 85 . 1 1 18 18 MET CB C 13 31.481 0.000 . 1 . . . . . 17 MET CB . 27944 1 86 . 1 1 18 18 MET N N 15 116.800 0.003 . 1 . . . . . 17 MET N . 27944 1 87 . 1 1 19 19 ASP H H 1 7.650 0.003 . 1 . . . . . 18 ASP H . 27944 1 88 . 1 1 19 19 ASP C C 13 178.508 0.000 . 1 . . . . . 18 ASP C . 27944 1 89 . 1 1 19 19 ASP CA C 13 57.506 0.000 . 1 . . . . . 18 ASP CA . 27944 1 90 . 1 1 19 19 ASP CB C 13 40.893 0.000 . 1 . . . . . 18 ASP CB . 27944 1 91 . 1 1 19 19 ASP N N 15 120.359 0.002 . 1 . . . . . 18 ASP N . 27944 1 92 . 1 1 20 20 VAL H H 1 7.995 0.001 . 1 . . . . . 19 VAL H . 27944 1 93 . 1 1 20 20 VAL C C 13 177.692 0.000 . 1 . . . . . 19 VAL C . 27944 1 94 . 1 1 20 20 VAL CA C 13 67.475 0.000 . 1 . . . . . 19 VAL CA . 27944 1 95 . 1 1 20 20 VAL CB C 13 31.380 0.000 . 1 . . . . . 19 VAL CB . 27944 1 96 . 1 1 20 20 VAL N N 15 121.690 0.007 . 1 . . . . . 19 VAL N . 27944 1 97 . 1 1 21 21 VAL H H 1 8.285 0.003 . 1 . . . . . 20 VAL H . 27944 1 98 . 1 1 21 21 VAL C C 13 179.136 0.000 . 1 . . . . . 20 VAL C . 27944 1 99 . 1 1 21 21 VAL CA C 13 67.305 0.000 . 1 . . . . . 20 VAL CA . 27944 1 100 . 1 1 21 21 VAL CB C 13 31.701 0.000 . 1 . . . . . 20 VAL CB . 27944 1 101 . 1 1 21 21 VAL N N 15 119.919 0.006 . 1 . . . . . 20 VAL N . 27944 1 102 . 1 1 22 22 GLU H H 1 7.796 0.001 . 1 . . . . . 21 GLU H . 27944 1 103 . 1 1 22 22 GLU C C 13 179.351 0.000 . 1 . . . . . 21 GLU C . 27944 1 104 . 1 1 22 22 GLU CA C 13 59.707 0.000 . 1 . . . . . 21 GLU CA . 27944 1 105 . 1 1 22 22 GLU CB C 13 29.723 0.000 . 1 . . . . . 21 GLU CB . 27944 1 106 . 1 1 22 22 GLU N N 15 119.974 0.005 . 1 . . . . . 21 GLU N . 27944 1 107 . 1 1 23 23 LEU H H 1 8.177 0.001 . 1 . . . . . 22 LEU H . 27944 1 108 . 1 1 23 23 LEU C C 13 178.381 0.000 . 1 . . . . . 22 LEU C . 27944 1 109 . 1 1 23 23 LEU CA C 13 58.421 0.000 . 1 . . . . . 22 LEU CA . 27944 1 110 . 1 1 23 23 LEU CB C 13 42.294 0.000 . 1 . . . . . 22 LEU CB . 27944 1 111 . 1 1 23 23 LEU N N 15 122.301 0.007 . 1 . . . . . 22 LEU N . 27944 1 112 . 1 1 24 24 ILE H H 1 8.806 0.001 . 1 . . . . . 23 ILE H . 27944 1 113 . 1 1 24 24 ILE C C 13 178.378 0.000 . 1 . . . . . 23 ILE C . 27944 1 114 . 1 1 24 24 ILE CA C 13 66.086 0.000 . 1 . . . . . 23 ILE CA . 27944 1 115 . 1 1 24 24 ILE CB C 13 37.806 0.000 . 1 . . . . . 23 ILE CB . 27944 1 116 . 1 1 24 24 ILE N N 15 119.831 0.001 . 1 . . . . . 23 ILE N . 27944 1 117 . 1 1 25 25 SER H H 1 8.113 0.002 . 1 . . . . . 24 SER H . 27944 1 118 . 1 1 25 25 SER C C 13 176.903 0.000 . 1 . . . . . 24 SER C . 27944 1 119 . 1 1 25 25 SER CA C 13 61.869 0.000 . 1 . . . . . 24 SER CA . 27944 1 120 . 1 1 25 25 SER CB C 13 62.664 0.000 . 1 . . . . . 24 SER CB . 27944 1 121 . 1 1 25 25 SER N N 15 114.665 0.002 . 1 . . . . . 24 SER N . 27944 1 122 . 1 1 26 26 ALA H H 1 8.006 0.002 . 1 . . . . . 25 ALA H . 27944 1 123 . 1 1 26 26 ALA C C 13 180.835 0.000 . 1 . . . . . 25 ALA C . 27944 1 124 . 1 1 26 26 ALA CA C 13 55.072 0.000 . 1 . . . . . 25 ALA CA . 27944 1 125 . 1 1 26 26 ALA CB C 13 18.138 0.000 . 1 . . . . . 25 ALA CB . 27944 1 126 . 1 1 26 26 ALA N N 15 123.810 0.003 . 1 . . . . . 25 ALA N . 27944 1 127 . 1 1 27 27 MET H H 1 8.467 0.002 . 1 . . . . . 26 MET H . 27944 1 128 . 1 1 27 27 MET C C 13 177.955 0.000 . 1 . . . . . 26 MET C . 27944 1 129 . 1 1 27 27 MET CA C 13 59.882 0.000 . 1 . . . . . 26 MET CA . 27944 1 130 . 1 1 27 27 MET CB C 13 33.501 0.000 . 1 . . . . . 26 MET CB . 27944 1 131 . 1 1 27 27 MET N N 15 118.562 0.001 . 1 . . . . . 26 MET N . 27944 1 132 . 1 1 28 28 GLU H H 1 8.582 0.002 . 1 . . . . . 27 GLU H . 27944 1 133 . 1 1 28 28 GLU C C 13 179.415 0.000 . 1 . . . . . 27 GLU C . 27944 1 134 . 1 1 28 28 GLU CA C 13 59.796 0.000 . 1 . . . . . 27 GLU CA . 27944 1 135 . 1 1 28 28 GLU CB C 13 29.629 0.000 . 1 . . . . . 27 GLU CB . 27944 1 136 . 1 1 28 28 GLU N N 15 119.353 0.022 . 1 . . . . . 27 GLU N . 27944 1 137 . 1 1 29 29 GLU H H 1 7.931 0.001 . 1 . . . . . 28 GLU H . 27944 1 138 . 1 1 29 29 GLU C C 13 178.429 0.000 . 1 . . . . . 28 GLU C . 27944 1 139 . 1 1 29 29 GLU CA C 13 58.985 0.000 . 1 . . . . . 28 GLU CA . 27944 1 140 . 1 1 29 29 GLU CB C 13 29.818 0.000 . 1 . . . . . 28 GLU CB . 27944 1 141 . 1 1 29 29 GLU N N 15 118.644 0.007 . 1 . . . . . 28 GLU N . 27944 1 142 . 1 1 30 30 LYS H H 1 7.757 0.002 . 1 . . . . . 29 LYS H . 27944 1 143 . 1 1 30 30 LYS C C 13 177.880 0.000 . 1 . . . . . 29 LYS C . 27944 1 144 . 1 1 30 30 LYS CA C 13 57.999 0.000 . 1 . . . . . 29 LYS CA . 27944 1 145 . 1 1 30 30 LYS CB C 13 32.591 0.000 . 1 . . . . . 29 LYS CB . 27944 1 146 . 1 1 30 30 LYS N N 15 117.624 0.004 . 1 . . . . . 29 LYS N . 27944 1 147 . 1 1 31 31 PHE H H 1 8.025 0.003 . 1 . . . . . 30 PHE H . 27944 1 148 . 1 1 31 31 PHE C C 13 176.424 0.000 . 1 . . . . . 30 PHE C . 27944 1 149 . 1 1 31 31 PHE CA C 13 57.928 0.000 . 1 . . . . . 30 PHE CA . 27944 1 150 . 1 1 31 31 PHE CB C 13 39.767 0.000 . 1 . . . . . 30 PHE CB . 27944 1 151 . 1 1 31 31 PHE N N 15 115.017 0.022 . 1 . . . . . 30 PHE N . 27944 1 152 . 1 1 32 32 GLY H H 1 7.965 0.002 . 1 . . . . . 31 GLY H . 27944 1 153 . 1 1 32 32 GLY C C 13 174.849 0.000 . 1 . . . . . 31 GLY C . 27944 1 154 . 1 1 32 32 GLY CA C 13 46.419 0.000 . 1 . . . . . 31 GLY CA . 27944 1 155 . 1 1 32 32 GLY N N 15 108.938 0.007 . 1 . . . . . 31 GLY N . 27944 1 156 . 1 1 33 33 VAL H H 1 7.718 0.002 . 1 . . . . . 32 VAL H . 27944 1 157 . 1 1 33 33 VAL C C 13 176.280 0.000 . 1 . . . . . 32 VAL C . 27944 1 158 . 1 1 33 33 VAL CA C 13 62.809 0.000 . 1 . . . . . 32 VAL CA . 27944 1 159 . 1 1 33 33 VAL CB C 13 32.879 0.000 . 1 . . . . . 32 VAL CB . 27944 1 160 . 1 1 33 33 VAL N N 15 117.097 0.026 . 1 . . . . . 32 VAL N . 27944 1 161 . 1 1 34 34 SER H H 1 8.428 0.002 . 1 . . . . . 33 SER H . 27944 1 162 . 1 1 34 34 SER C C 13 175.044 0.000 . 1 . . . . . 33 SER C . 27944 1 163 . 1 1 34 34 SER CA C 13 58.736 0.000 . 1 . . . . . 33 SER CA . 27944 1 164 . 1 1 34 34 SER CB C 13 63.739 0.000 . 1 . . . . . 33 SER CB . 27944 1 165 . 1 1 34 34 SER N N 15 117.667 0.026 . 1 . . . . . 33 SER N . 27944 1 166 . 1 1 35 35 ALA C C 13 178.062 0.000 . 1 . . . . . 34 ALA C . 27944 1 167 . 1 1 35 35 ALA CA C 13 53.333 0.000 . 1 . . . . . 34 ALA CA . 27944 1 168 . 1 1 35 35 ALA CB C 13 18.929 0.000 . 1 . . . . . 34 ALA CB . 27944 1 169 . 1 1 36 36 ALA H H 1 8.127 0.001 . 1 . . . . . 35 ALA H . 27944 1 170 . 1 1 36 36 ALA C C 13 178.254 0.000 . 1 . . . . . 35 ALA C . 27944 1 171 . 1 1 36 36 ALA CA C 13 53.254 0.000 . 1 . . . . . 35 ALA CA . 27944 1 172 . 1 1 36 36 ALA CB C 13 18.926 0.000 . 1 . . . . . 35 ALA CB . 27944 1 173 . 1 1 36 36 ALA N N 15 121.866 0.009 . 1 . . . . . 35 ALA N . 27944 1 174 . 1 1 37 37 ALA H H 1 8.073 0.001 . 1 . . . . . 36 ALA H . 27944 1 175 . 1 1 37 37 ALA C C 13 177.943 0.000 . 1 . . . . . 36 ALA C . 27944 1 176 . 1 1 37 37 ALA CA C 13 52.965 0.000 . 1 . . . . . 36 ALA CA . 27944 1 177 . 1 1 37 37 ALA CB C 13 19.027 0.000 . 1 . . . . . 36 ALA CB . 27944 1 178 . 1 1 37 37 ALA N N 15 122.113 0.012 . 1 . . . . . 36 ALA N . 27944 1 179 . 1 1 38 38 ALA H H 1 8.031 0.001 . 1 . . . . . 37 ALA H . 27944 1 180 . 1 1 38 38 ALA C C 13 178.115 0.000 . 1 . . . . . 37 ALA C . 27944 1 181 . 1 1 38 38 ALA CA C 13 53.004 0.000 . 1 . . . . . 37 ALA CA . 27944 1 182 . 1 1 38 38 ALA CB C 13 19.081 0.000 . 1 . . . . . 37 ALA CB . 27944 1 183 . 1 1 38 38 ALA N N 15 122.368 0.022 . 1 . . . . . 37 ALA N . 27944 1 184 . 1 1 39 39 VAL H H 1 7.884 0.002 . 1 . . . . . 38 VAL H . 27944 1 185 . 1 1 39 39 VAL C C 13 176.094 0.000 . 1 . . . . . 38 VAL C . 27944 1 186 . 1 1 39 39 VAL CA C 13 62.718 0.000 . 1 . . . . . 38 VAL CA . 27944 1 187 . 1 1 39 39 VAL CB C 13 32.703 0.000 . 1 . . . . . 38 VAL CB . 27944 1 188 . 1 1 39 39 VAL N N 15 118.339 0.027 . 1 . . . . . 38 VAL N . 27944 1 189 . 1 1 40 40 ALA H H 1 8.159 0.002 . 1 . . . . . 39 ALA H . 27944 1 190 . 1 1 40 40 ALA C C 13 177.865 0.000 . 1 . . . . . 39 ALA C . 27944 1 191 . 1 1 40 40 ALA CA C 13 52.718 0.000 . 1 . . . . . 39 ALA CA . 27944 1 192 . 1 1 40 40 ALA CB C 13 19.162 0.000 . 1 . . . . . 39 ALA CB . 27944 1 193 . 1 1 40 40 ALA N N 15 126.946 0.033 . 1 . . . . . 39 ALA N . 27944 1 194 . 1 1 41 41 VAL H H 1 8.027 0.003 . 1 . . . . . 40 VAL H . 27944 1 195 . 1 1 41 41 VAL C C 13 176.073 0.000 . 1 . . . . . 40 VAL C . 27944 1 196 . 1 1 41 41 VAL CA C 13 62.460 0.000 . 1 . . . . . 40 VAL CA . 27944 1 197 . 1 1 41 41 VAL CB C 13 32.814 0.000 . 1 . . . . . 40 VAL CB . 27944 1 198 . 1 1 41 41 VAL N N 15 119.355 0.032 . 1 . . . . . 40 VAL N . 27944 1 199 . 1 1 42 42 ALA H H 1 8.265 0.002 . 1 . . . . . 41 ALA H . 27944 1 200 . 1 1 42 42 ALA C C 13 177.264 0.000 . 1 . . . . . 41 ALA C . 27944 1 201 . 1 1 42 42 ALA CA C 13 52.414 0.000 . 1 . . . . . 41 ALA CA . 27944 1 202 . 1 1 42 42 ALA CB C 13 19.214 0.000 . 1 . . . . . 41 ALA CB . 27944 1 203 . 1 1 42 42 ALA N N 15 127.650 0.026 . 1 . . . . . 41 ALA N . 27944 1 204 . 1 1 43 43 ALA H H 1 8.244 0.001 . 1 . . . . . 42 ALA H . 27944 1 205 . 1 1 43 43 ALA C C 13 177.872 0.000 . 1 . . . . . 42 ALA C . 27944 1 206 . 1 1 43 43 ALA CA C 13 52.369 0.000 . 1 . . . . . 42 ALA CA . 27944 1 207 . 1 1 43 43 ALA CB C 13 19.500 0.000 . 1 . . . . . 42 ALA CB . 27944 1 208 . 1 1 43 43 ALA N N 15 123.739 0.025 . 1 . . . . . 42 ALA N . 27944 1 209 . 1 1 44 44 GLY H H 1 8.128 0.002 . 1 . . . . . 43 GLY H . 27944 1 210 . 1 1 44 44 GLY C C 13 171.586 0.000 . 1 . . . . . 43 GLY C . 27944 1 211 . 1 1 44 44 GLY CA C 13 44.493 0.000 . 1 . . . . . 43 GLY CA . 27944 1 212 . 1 1 44 44 GLY N N 15 108.347 0.003 . 1 . . . . . 43 GLY N . 27944 1 213 . 1 1 45 45 PRO C C 13 177.192 0.000 . 1 . . . . . 44 PRO C . 27944 1 214 . 1 1 45 45 PRO CA C 13 63.085 0.000 . 1 . . . . . 44 PRO CA . 27944 1 215 . 1 1 45 45 PRO CB C 13 32.175 0.000 . 1 . . . . . 44 PRO CB . 27944 1 216 . 1 1 46 46 VAL H H 1 8.293 0.001 . 1 . . . . . 45 VAL H . 27944 1 217 . 1 1 46 46 VAL C C 13 176.374 0.000 . 1 . . . . . 45 VAL C . 27944 1 218 . 1 1 46 46 VAL CA C 13 62.521 0.000 . 1 . . . . . 45 VAL CA . 27944 1 219 . 1 1 46 46 VAL CB C 13 32.866 0.000 . 1 . . . . . 45 VAL CB . 27944 1 220 . 1 1 46 46 VAL N N 15 120.702 0.041 . 1 . . . . . 45 VAL N . 27944 1 221 . 1 1 47 47 GLU H H 1 8.494 0.000 . 1 . . . . . 46 GLU H . 27944 1 222 . 1 1 47 47 GLU C C 13 176.013 0.000 . 1 . . . . . 46 GLU C . 27944 1 223 . 1 1 47 47 GLU CA C 13 56.448 0.000 . 1 . . . . . 46 GLU CA . 27944 1 224 . 1 1 47 47 GLU CB C 13 30.406 0.000 . 1 . . . . . 46 GLU CB . 27944 1 225 . 1 1 47 47 GLU N N 15 125.164 0.019 . 1 . . . . . 46 GLU N . 27944 1 226 . 1 1 48 48 ALA H H 1 8.376 0.000 . 1 . . . . . 47 ALA H . 27944 1 227 . 1 1 48 48 ALA C C 13 177.313 0.000 . 1 . . . . . 47 ALA C . 27944 1 228 . 1 1 48 48 ALA CA C 13 52.255 0.000 . 1 . . . . . 47 ALA CA . 27944 1 229 . 1 1 48 48 ALA CB C 13 19.306 0.000 . 1 . . . . . 47 ALA CB . 27944 1 230 . 1 1 48 48 ALA N N 15 125.962 0.008 . 1 . . . . . 47 ALA N . 27944 1 231 . 1 1 49 49 ALA H H 1 8.317 0.000 . 1 . . . . . 48 ALA H . 27944 1 232 . 1 1 49 49 ALA C C 13 177.766 0.000 . 1 . . . . . 48 ALA C . 27944 1 233 . 1 1 49 49 ALA CA C 13 52.408 0.000 . 1 . . . . . 48 ALA CA . 27944 1 234 . 1 1 49 49 ALA CB C 13 19.332 0.000 . 1 . . . . . 48 ALA CB . 27944 1 235 . 1 1 49 49 ALA N N 15 124.057 0.005 . 1 . . . . . 48 ALA N . 27944 1 236 . 1 1 50 50 GLU H H 1 8.384 0.000 . 1 . . . . . 49 GLU H . 27944 1 237 . 1 1 50 50 GLU C C 13 176.403 0.000 . 1 . . . . . 49 GLU C . 27944 1 238 . 1 1 50 50 GLU CA C 13 56.484 0.000 . 1 . . . . . 49 GLU CA . 27944 1 239 . 1 1 50 50 GLU CB C 13 30.532 0.000 . 1 . . . . . 49 GLU CB . 27944 1 240 . 1 1 50 50 GLU N N 15 120.383 0.017 . 1 . . . . . 49 GLU N . 27944 1 241 . 1 1 51 51 GLU H H 1 8.418 0.001 . 1 . . . . . 50 GLU H . 27944 1 242 . 1 1 51 51 GLU C C 13 175.916 0.000 . 1 . . . . . 50 GLU C . 27944 1 243 . 1 1 51 51 GLU CA C 13 56.345 0.000 . 1 . . . . . 50 GLU CA . 27944 1 244 . 1 1 51 51 GLU CB C 13 30.607 0.000 . 1 . . . . . 50 GLU CB . 27944 1 245 . 1 1 51 51 GLU N N 15 122.821 0.043 . 1 . . . . . 50 GLU N . 27944 1 246 . 1 1 52 52 LYS H H 1 8.382 0.001 . 1 . . . . . 51 LYS H . 27944 1 247 . 1 1 52 52 LYS C C 13 176.150 0.000 . 1 . . . . . 51 LYS C . 27944 1 248 . 1 1 52 52 LYS CA C 13 56.648 0.000 . 1 . . . . . 51 LYS CA . 27944 1 249 . 1 1 52 52 LYS CB C 13 33.595 0.000 . 1 . . . . . 51 LYS CB . 27944 1 250 . 1 1 52 52 LYS N N 15 124.373 0.034 . 1 . . . . . 51 LYS N . 27944 1 251 . 1 1 53 53 THR H H 1 8.428 0.003 . 1 . . . . . 52 THR H . 27944 1 252 . 1 1 53 53 THR C C 13 173.990 0.000 . 1 . . . . . 52 THR C . 27944 1 253 . 1 1 53 53 THR CA C 13 61.715 0.000 . 1 . . . . . 52 THR CA . 27944 1 254 . 1 1 53 53 THR CB C 13 69.972 0.000 . 1 . . . . . 52 THR CB . 27944 1 255 . 1 1 53 53 THR N N 15 112.477 0.069 . 1 . . . . . 52 THR N . 27944 1 256 . 1 1 54 54 GLU H H 1 7.131 0.013 . 1 . . . . . 53 GLU H . 27944 1 257 . 1 1 54 54 GLU C C 13 174.246 0.000 . 1 . . . . . 53 GLU C . 27944 1 258 . 1 1 54 54 GLU CA C 13 55.149 0.000 . 1 . . . . . 53 GLU CA . 27944 1 259 . 1 1 54 54 GLU CB C 13 32.549 0.000 . 1 . . . . . 53 GLU CB . 27944 1 260 . 1 1 54 54 GLU N N 15 121.822 0.013 . 1 . . . . . 53 GLU N . 27944 1 261 . 1 1 55 55 PHE H H 1 9.585 0.003 . 1 . . . . . 54 PHE H . 27944 1 262 . 1 1 55 55 PHE C C 13 173.824 0.000 . 1 . . . . . 54 PHE C . 27944 1 263 . 1 1 55 55 PHE CA C 13 57.845 0.000 . 1 . . . . . 54 PHE CA . 27944 1 264 . 1 1 55 55 PHE CB C 13 43.233 0.000 . 1 . . . . . 54 PHE CB . 27944 1 265 . 1 1 55 55 PHE N N 15 120.446 0.012 . 1 . . . . . 54 PHE N . 27944 1 266 . 1 1 56 56 ASP H H 1 9.466 0.001 . 1 . . . . . 55 ASP H . 27944 1 267 . 1 1 56 56 ASP C C 13 175.339 0.000 . 1 . . . . . 55 ASP C . 27944 1 268 . 1 1 56 56 ASP CA C 13 52.272 0.000 . 1 . . . . . 55 ASP CA . 27944 1 269 . 1 1 56 56 ASP CB C 13 42.846 0.000 . 1 . . . . . 55 ASP CB . 27944 1 270 . 1 1 56 56 ASP N N 15 120.128 0.002 . 1 . . . . . 55 ASP N . 27944 1 271 . 1 1 57 57 VAL H H 1 8.682 0.001 . 1 . . . . . 56 VAL H . 27944 1 272 . 1 1 57 57 VAL C C 13 174.235 0.000 . 1 . . . . . 56 VAL C . 27944 1 273 . 1 1 57 57 VAL CA C 13 61.842 0.000 . 1 . . . . . 56 VAL CA . 27944 1 274 . 1 1 57 57 VAL CB C 13 33.015 0.000 . 1 . . . . . 56 VAL CB . 27944 1 275 . 1 1 57 57 VAL N N 15 119.119 0.002 . 1 . . . . . 56 VAL N . 27944 1 276 . 1 1 58 58 ILE H H 1 9.567 0.001 . 1 . . . . . 57 ILE H . 27944 1 277 . 1 1 58 58 ILE C C 13 175.684 0.000 . 1 . . . . . 57 ILE C . 27944 1 278 . 1 1 58 58 ILE CA C 13 59.451 0.000 . 1 . . . . . 57 ILE CA . 27944 1 279 . 1 1 58 58 ILE CB C 13 39.900 0.000 . 1 . . . . . 57 ILE CB . 27944 1 280 . 1 1 58 58 ILE N N 15 129.437 0.006 . 1 . . . . . 57 ILE N . 27944 1 281 . 1 1 59 59 LEU H H 1 8.944 0.003 . 1 . . . . . 58 LEU H . 27944 1 282 . 1 1 59 59 LEU C C 13 173.795 0.000 . 1 . . . . . 58 LEU C . 27944 1 283 . 1 1 59 59 LEU CA C 13 54.343 0.000 . 1 . . . . . 58 LEU CA . 27944 1 284 . 1 1 59 59 LEU CB C 13 42.275 0.000 . 1 . . . . . 58 LEU CB . 27944 1 285 . 1 1 59 59 LEU N N 15 128.408 0.003 . 1 . . . . . 58 LEU N . 27944 1 286 . 1 1 60 60 LYS H H 1 8.825 0.001 . 1 . . . . . 59 LYS H . 27944 1 287 . 1 1 60 60 LYS C C 13 176.181 0.000 . 1 . . . . . 59 LYS C . 27944 1 288 . 1 1 60 60 LYS CA C 13 57.906 0.000 . 1 . . . . . 59 LYS CA . 27944 1 289 . 1 1 60 60 LYS CB C 13 32.592 0.000 . 1 . . . . . 59 LYS CB . 27944 1 290 . 1 1 60 60 LYS N N 15 129.602 0.002 . 1 . . . . . 59 LYS N . 27944 1 291 . 1 1 61 61 ALA H H 1 7.727 0.001 . 1 . . . . . 60 ALA H . 27944 1 292 . 1 1 61 61 ALA C C 13 176.019 0.000 . 1 . . . . . 60 ALA C . 27944 1 293 . 1 1 61 61 ALA CA C 13 51.923 0.000 . 1 . . . . . 60 ALA CA . 27944 1 294 . 1 1 61 61 ALA CB C 13 21.744 0.000 . 1 . . . . . 60 ALA CB . 27944 1 295 . 1 1 61 61 ALA N N 15 116.991 0.002 . 1 . . . . . 60 ALA N . 27944 1 296 . 1 1 62 62 ALA H H 1 9.235 0.001 . 1 . . . . . 61 ALA H . 27944 1 297 . 1 1 62 62 ALA C C 13 176.686 0.000 . 1 . . . . . 61 ALA C . 27944 1 298 . 1 1 62 62 ALA CA C 13 53.806 0.000 . 1 . . . . . 61 ALA CA . 27944 1 299 . 1 1 62 62 ALA CB C 13 20.156 0.000 . 1 . . . . . 61 ALA CB . 27944 1 300 . 1 1 62 62 ALA N N 15 123.062 0.003 . 1 . . . . . 61 ALA N . 27944 1 301 . 1 1 63 63 GLY H H 1 7.872 0.001 . 1 . . . . . 62 GLY H . 27944 1 302 . 1 1 63 63 GLY C C 13 173.907 0.000 . 1 . . . . . 62 GLY C . 27944 1 303 . 1 1 63 63 GLY CA C 13 44.609 0.000 . 1 . . . . . 62 GLY CA . 27944 1 304 . 1 1 63 63 GLY N N 15 101.589 0.002 . 1 . . . . . 62 GLY N . 27944 1 305 . 1 1 64 64 ALA H H 1 8.482 0.000 . 1 . . . . . 63 ALA H . 27944 1 306 . 1 1 64 64 ALA C C 13 178.621 0.000 . 1 . . . . . 63 ALA C . 27944 1 307 . 1 1 64 64 ALA CA C 13 53.587 0.000 . 1 . . . . . 63 ALA CA . 27944 1 308 . 1 1 64 64 ALA CB C 13 19.797 0.000 . 1 . . . . . 63 ALA CB . 27944 1 309 . 1 1 64 64 ALA N N 15 121.079 0.004 . 1 . . . . . 63 ALA N . 27944 1 310 . 1 1 65 65 ASN H H 1 9.632 0.001 . 1 . . . . . 64 ASN H . 27944 1 311 . 1 1 65 65 ASN C C 13 174.681 0.000 . 1 . . . . . 64 ASN C . 27944 1 312 . 1 1 65 65 ASN CA C 13 50.580 0.000 . 1 . . . . . 64 ASN CA . 27944 1 313 . 1 1 65 65 ASN CB C 13 37.442 0.000 . 1 . . . . . 64 ASN CB . 27944 1 314 . 1 1 65 65 ASN N N 15 121.289 0.006 . 1 . . . . . 64 ASN N . 27944 1 315 . 1 1 66 66 LYS H H 1 8.002 0.005 . 1 . . . . . 65 LYS H . 27944 1 316 . 1 1 66 66 LYS C C 13 178.143 0.000 . 1 . . . . . 65 LYS C . 27944 1 317 . 1 1 66 66 LYS CA C 13 61.017 0.000 . 1 . . . . . 65 LYS CA . 27944 1 318 . 1 1 66 66 LYS CB C 13 32.624 0.000 . 1 . . . . . 65 LYS CB . 27944 1 319 . 1 1 66 66 LYS N N 15 121.388 0.013 . 1 . . . . . 65 LYS N . 27944 1 320 . 1 1 67 67 VAL H H 1 8.233 0.001 . 1 . . . . . 66 VAL H . 27944 1 321 . 1 1 67 67 VAL C C 13 178.291 0.000 . 1 . . . . . 66 VAL C . 27944 1 322 . 1 1 67 67 VAL CA C 13 67.131 0.000 . 1 . . . . . 66 VAL CA . 27944 1 323 . 1 1 67 67 VAL CB C 13 31.593 0.000 . 1 . . . . . 66 VAL CB . 27944 1 324 . 1 1 67 67 VAL N N 15 117.175 0.005 . 1 . . . . . 66 VAL N . 27944 1 325 . 1 1 68 68 ALA H H 1 7.388 0.000 . 1 . . . . . 67 ALA H . 27944 1 326 . 1 1 68 68 ALA C C 13 181.227 0.000 . 1 . . . . . 67 ALA C . 27944 1 327 . 1 1 68 68 ALA CA C 13 54.846 0.000 . 1 . . . . . 67 ALA CA . 27944 1 328 . 1 1 68 68 ALA CB C 13 18.777 0.000 . 1 . . . . . 67 ALA CB . 27944 1 329 . 1 1 68 68 ALA N N 15 122.108 0.007 . 1 . . . . . 67 ALA N . 27944 1 330 . 1 1 69 69 VAL H H 1 7.947 0.000 . 1 . . . . . 68 VAL H . 27944 1 331 . 1 1 69 69 VAL C C 13 177.419 0.000 . 1 . . . . . 68 VAL C . 27944 1 332 . 1 1 69 69 VAL CA C 13 67.337 0.000 . 1 . . . . . 68 VAL CA . 27944 1 333 . 1 1 69 69 VAL CB C 13 31.926 0.000 . 1 . . . . . 68 VAL CB . 27944 1 334 . 1 1 69 69 VAL N N 15 120.877 0.006 . 1 . . . . . 68 VAL N . 27944 1 335 . 1 1 70 70 ILE H H 1 8.801 0.001 . 1 . . . . . 69 ILE H . 27944 1 336 . 1 1 70 70 ILE C C 13 177.770 0.000 . 1 . . . . . 69 ILE C . 27944 1 337 . 1 1 70 70 ILE CA C 13 66.872 0.000 . 1 . . . . . 69 ILE CA . 27944 1 338 . 1 1 70 70 ILE CB C 13 37.959 0.000 . 1 . . . . . 69 ILE CB . 27944 1 339 . 1 1 70 70 ILE N N 15 121.632 0.005 . 1 . . . . . 69 ILE N . 27944 1 340 . 1 1 71 71 LYS H H 1 7.802 0.002 . 1 . . . . . 70 LYS H . 27944 1 341 . 1 1 71 71 LYS C C 13 179.358 0.000 . 1 . . . . . 70 LYS C . 27944 1 342 . 1 1 71 71 LYS CA C 13 60.496 0.000 . 1 . . . . . 70 LYS CA . 27944 1 343 . 1 1 71 71 LYS CB C 13 32.429 0.000 . 1 . . . . . 70 LYS CB . 27944 1 344 . 1 1 71 71 LYS N N 15 118.809 0.004 . 1 . . . . . 70 LYS N . 27944 1 345 . 1 1 72 72 ALA H H 1 7.986 0.001 . 1 . . . . . 71 ALA H . 27944 1 346 . 1 1 72 72 ALA C C 13 180.811 0.000 . 1 . . . . . 71 ALA C . 27944 1 347 . 1 1 72 72 ALA CA C 13 54.851 0.000 . 1 . . . . . 71 ALA CA . 27944 1 348 . 1 1 72 72 ALA CB C 13 18.070 0.000 . 1 . . . . . 71 ALA CB . 27944 1 349 . 1 1 72 72 ALA N N 15 122.826 0.003 . 1 . . . . . 71 ALA N . 27944 1 350 . 1 1 73 73 VAL H H 1 8.994 0.002 . 1 . . . . . 72 VAL H . 27944 1 351 . 1 1 73 73 VAL C C 13 180.073 0.000 . 1 . . . . . 72 VAL C . 27944 1 352 . 1 1 73 73 VAL CA C 13 67.558 0.000 . 1 . . . . . 72 VAL CA . 27944 1 353 . 1 1 73 73 VAL CB C 13 31.685 0.000 . 1 . . . . . 72 VAL CB . 27944 1 354 . 1 1 73 73 VAL N N 15 119.708 0.006 . 1 . . . . . 72 VAL N . 27944 1 355 . 1 1 74 74 ARG H H 1 8.819 0.001 . 1 . . . . . 73 ARG H . 27944 1 356 . 1 1 74 74 ARG C C 13 179.471 0.000 . 1 . . . . . 73 ARG C . 27944 1 357 . 1 1 74 74 ARG CA C 13 61.379 0.000 . 1 . . . . . 73 ARG CA . 27944 1 358 . 1 1 74 74 ARG CB C 13 29.957 0.000 . 1 . . . . . 73 ARG CB . 27944 1 359 . 1 1 74 74 ARG N N 15 123.199 0.009 . 1 . . . . . 73 ARG N . 27944 1 360 . 1 1 75 75 GLY H H 1 8.275 0.001 . 1 . . . . . 74 GLY H . 27944 1 361 . 1 1 75 75 GLY C C 13 175.096 0.000 . 1 . . . . . 74 GLY C . 27944 1 362 . 1 1 75 75 GLY CA C 13 47.231 0.000 . 1 . . . . . 74 GLY CA . 27944 1 363 . 1 1 75 75 GLY N N 15 106.497 0.003 . 1 . . . . . 74 GLY N . 27944 1 364 . 1 1 76 76 ALA H H 1 7.686 0.001 . 1 . . . . . 75 ALA H . 27944 1 365 . 1 1 76 76 ALA C C 13 178.530 0.000 . 1 . . . . . 75 ALA C . 27944 1 366 . 1 1 76 76 ALA CA C 13 53.401 0.000 . 1 . . . . . 75 ALA CA . 27944 1 367 . 1 1 76 76 ALA CB C 13 20.769 0.000 . 1 . . . . . 75 ALA CB . 27944 1 368 . 1 1 76 76 ALA N N 15 119.389 0.008 . 1 . . . . . 75 ALA N . 27944 1 369 . 1 1 77 77 THR H H 1 7.711 0.001 . 1 . . . . . 76 THR H . 27944 1 370 . 1 1 77 77 THR C C 13 176.173 0.000 . 1 . . . . . 76 THR C . 27944 1 371 . 1 1 77 77 THR CA C 13 62.200 0.000 . 1 . . . . . 76 THR CA . 27944 1 372 . 1 1 77 77 THR CB C 13 72.631 0.000 . 1 . . . . . 76 THR CB . 27944 1 373 . 1 1 77 77 THR N N 15 103.399 0.003 . 1 . . . . . 76 THR N . 27944 1 374 . 1 1 78 78 GLY H H 1 8.385 0.000 . 1 . . . . . 77 GLY H . 27944 1 375 . 1 1 78 78 GLY C C 13 174.435 0.000 . 1 . . . . . 77 GLY C . 27944 1 376 . 1 1 78 78 GLY CA C 13 45.768 0.000 . 1 . . . . . 77 GLY CA . 27944 1 377 . 1 1 78 78 GLY N N 15 111.848 0.004 . 1 . . . . . 77 GLY N . 27944 1 378 . 1 1 79 79 LEU H H 1 7.657 0.000 . 1 . . . . . 78 LEU H . 27944 1 379 . 1 1 79 79 LEU C C 13 177.721 0.000 . 1 . . . . . 78 LEU C . 27944 1 380 . 1 1 79 79 LEU CA C 13 55.351 0.000 . 1 . . . . . 78 LEU CA . 27944 1 381 . 1 1 79 79 LEU CB C 13 44.474 0.000 . 1 . . . . . 78 LEU CB . 27944 1 382 . 1 1 79 79 LEU N N 15 120.907 0.002 . 1 . . . . . 78 LEU N . 27944 1 383 . 1 1 80 80 GLY H H 1 8.463 0.001 . 1 . . . . . 79 GLY H . 27944 1 384 . 1 1 80 80 GLY C C 13 172.922 0.006 . 1 . . . . . 79 GLY C . 27944 1 385 . 1 1 80 80 GLY CA C 13 44.472 0.009 . 1 . . . . . 79 GLY CA . 27944 1 386 . 1 1 80 80 GLY N N 15 106.630 0.007 . 1 . . . . . 79 GLY N . 27944 1 387 . 1 1 81 81 LEU H H 1 8.473 0.003 . 1 . . . . . 80 LEU H . 27944 1 388 . 1 1 81 81 LEU C C 13 178.081 0.003 . 1 . . . . . 80 LEU C . 27944 1 389 . 1 1 81 81 LEU CA C 13 59.347 0.008 . 1 . . . . . 80 LEU CA . 27944 1 390 . 1 1 81 81 LEU CB C 13 41.867 0.002 . 1 . . . . . 80 LEU CB . 27944 1 391 . 1 1 81 81 LEU N N 15 120.069 0.011 . 1 . . . . . 80 LEU N . 27944 1 392 . 1 1 82 82 LYS H H 1 8.409 0.003 . 1 . . . . . 81 LYS H . 27944 1 393 . 1 1 82 82 LYS C C 13 178.288 0.024 . 1 . . . . . 81 LYS C . 27944 1 394 . 1 1 82 82 LYS CA C 13 59.995 0.061 . 1 . . . . . 81 LYS CA . 27944 1 395 . 1 1 82 82 LYS CB C 13 32.140 0.005 . 1 . . . . . 81 LYS CB . 27944 1 396 . 1 1 82 82 LYS N N 15 118.382 0.008 . 1 . . . . . 81 LYS N . 27944 1 397 . 1 1 83 83 GLU H H 1 8.534 0.007 . 1 . . . . . 82 GLU H . 27944 1 398 . 1 1 83 83 GLU C C 13 179.704 0.012 . 1 . . . . . 82 GLU C . 27944 1 399 . 1 1 83 83 GLU CA C 13 60.476 0.018 . 1 . . . . . 82 GLU CA . 27944 1 400 . 1 1 83 83 GLU CB C 13 29.618 0.008 . 1 . . . . . 82 GLU CB . 27944 1 401 . 1 1 83 83 GLU N N 15 118.102 0.054 . 1 . . . . . 82 GLU N . 27944 1 402 . 1 1 84 84 ALA H H 1 8.731 0.000 . 1 . . . . . 83 ALA H . 27944 1 403 . 1 1 84 84 ALA C C 13 178.272 0.010 . 1 . . . . . 83 ALA C . 27944 1 404 . 1 1 84 84 ALA CA C 13 55.281 0.016 . 1 . . . . . 83 ALA CA . 27944 1 405 . 1 1 84 84 ALA CB C 13 19.544 0.003 . 1 . . . . . 83 ALA CB . 27944 1 406 . 1 1 84 84 ALA N N 15 122.522 0.005 . 1 . . . . . 83 ALA N . 27944 1 407 . 1 1 85 85 LYS H H 1 8.444 0.001 . 1 . . . . . 84 LYS H . 27944 1 408 . 1 1 85 85 LYS C C 13 178.161 0.019 . 1 . . . . . 84 LYS C . 27944 1 409 . 1 1 85 85 LYS CA C 13 60.456 0.002 . 1 . . . . . 84 LYS CA . 27944 1 410 . 1 1 85 85 LYS CB C 13 32.333 0.001 . 1 . . . . . 84 LYS CB . 27944 1 411 . 1 1 85 85 LYS N N 15 118.764 0.012 . 1 . . . . . 84 LYS N . 27944 1 412 . 1 1 86 86 ASP H H 1 8.213 0.001 . 1 . . . . . 85 ASP H . 27944 1 413 . 1 1 86 86 ASP C C 13 178.266 0.021 . 1 . . . . . 85 ASP C . 27944 1 414 . 1 1 86 86 ASP CA C 13 57.457 0.046 . 1 . . . . . 85 ASP CA . 27944 1 415 . 1 1 86 86 ASP CB C 13 40.164 0.015 . 1 . . . . . 85 ASP CB . 27944 1 416 . 1 1 86 86 ASP N N 15 118.486 0.005 . 1 . . . . . 85 ASP N . 27944 1 417 . 1 1 87 87 LEU H H 1 7.567 0.000 . 1 . . . . . 86 LEU H . 27944 1 418 . 1 1 87 87 LEU C C 13 178.476 0.017 . 1 . . . . . 86 LEU C . 27944 1 419 . 1 1 87 87 LEU CA C 13 58.688 0.027 . 1 . . . . . 86 LEU CA . 27944 1 420 . 1 1 87 87 LEU CB C 13 42.430 0.018 . 1 . . . . . 86 LEU CB . 27944 1 421 . 1 1 87 87 LEU N N 15 120.744 0.005 . 1 . . . . . 86 LEU N . 27944 1 422 . 1 1 88 88 VAL H H 1 7.782 0.001 . 1 . . . . . 87 VAL H . 27944 1 423 . 1 1 88 88 VAL C C 13 178.733 0.014 . 1 . . . . . 87 VAL C . 27944 1 424 . 1 1 88 88 VAL CA C 13 66.231 0.016 . 1 . . . . . 87 VAL CA . 27944 1 425 . 1 1 88 88 VAL CB C 13 31.564 0.015 . 1 . . . . . 87 VAL CB . 27944 1 426 . 1 1 88 88 VAL N N 15 115.819 0.006 . 1 . . . . . 87 VAL N . 27944 1 427 . 1 1 89 89 GLU H H 1 8.260 0.001 . 1 . . . . . 88 GLU H . 27944 1 428 . 1 1 89 89 GLU C C 13 177.727 0.013 . 1 . . . . . 88 GLU C . 27944 1 429 . 1 1 89 89 GLU CA C 13 58.218 0.021 . 1 . . . . . 88 GLU CA . 27944 1 430 . 1 1 89 89 GLU CB C 13 29.488 0.008 . 1 . . . . . 88 GLU CB . 27944 1 431 . 1 1 89 89 GLU N N 15 117.544 0.013 . 1 . . . . . 88 GLU N . 27944 1 432 . 1 1 90 90 CYS H H 1 7.626 0.001 . 1 . . . . . 89 CYS H . 27944 1 433 . 1 1 90 90 CYS C C 13 172.971 0.002 . 1 . . . . . 89 CYS C . 27944 1 434 . 1 1 90 90 CYS CA C 13 58.685 0.069 . 1 . . . . . 89 CYS CA . 27944 1 435 . 1 1 90 90 CYS CB C 13 27.404 0.016 . 1 . . . . . 89 CYS CB . 27944 1 436 . 1 1 90 90 CYS N N 15 116.846 0.003 . 1 . . . . . 89 CYS N . 27944 1 437 . 1 1 91 91 ALA H H 1 6.932 0.001 . 1 . . . . . 90 ALA H . 27944 1 438 . 1 1 91 91 ALA C C 13 175.524 0.000 . 1 . . . . . 90 ALA C . 27944 1 439 . 1 1 91 91 ALA CA C 13 51.683 0.000 . 1 . . . . . 90 ALA CA . 27944 1 440 . 1 1 91 91 ALA CB C 13 16.533 0.000 . 1 . . . . . 90 ALA CB . 27944 1 441 . 1 1 91 91 ALA N N 15 122.652 0.003 . 1 . . . . . 90 ALA N . 27944 1 442 . 1 1 92 92 PRO C C 13 175.384 0.000 . 1 . . . . . 91 PRO C . 27944 1 443 . 1 1 92 92 PRO CA C 13 61.690 0.000 . 1 . . . . . 91 PRO CA . 27944 1 444 . 1 1 92 92 PRO CB C 13 34.899 0.000 . 1 . . . . . 91 PRO CB . 27944 1 445 . 1 1 93 93 ALA H H 1 8.432 0.002 . 1 . . . . . 92 ALA H . 27944 1 446 . 1 1 93 93 ALA C C 13 175.495 0.017 . 1 . . . . . 92 ALA C . 27944 1 447 . 1 1 93 93 ALA CA C 13 51.202 0.018 . 1 . . . . . 92 ALA CA . 27944 1 448 . 1 1 93 93 ALA CB C 13 22.852 0.002 . 1 . . . . . 92 ALA CB . 27944 1 449 . 1 1 93 93 ALA N N 15 125.365 0.036 . 1 . . . . . 92 ALA N . 27944 1 450 . 1 1 94 94 ALA H H 1 8.813 0.001 . 1 . . . . . 93 ALA H . 27944 1 451 . 1 1 94 94 ALA C C 13 176.434 0.008 . 1 . . . . . 93 ALA C . 27944 1 452 . 1 1 94 94 ALA CA C 13 52.968 0.019 . 1 . . . . . 93 ALA CA . 27944 1 453 . 1 1 94 94 ALA CB C 13 17.824 0.011 . 1 . . . . . 93 ALA CB . 27944 1 454 . 1 1 94 94 ALA N N 15 124.392 0.006 . 1 . . . . . 93 ALA N . 27944 1 455 . 1 1 95 95 LEU H H 1 9.034 0.000 . 1 . . . . . 94 LEU H . 27944 1 456 . 1 1 95 95 LEU C C 13 176.164 0.000 . 1 . . . . . 94 LEU C . 27944 1 457 . 1 1 95 95 LEU CA C 13 55.802 0.000 . 1 . . . . . 94 LEU CA . 27944 1 458 . 1 1 95 95 LEU CB C 13 44.609 0.000 . 1 . . . . . 94 LEU CB . 27944 1 459 . 1 1 95 95 LEU N N 15 122.800 0.003 . 1 . . . . . 94 LEU N . 27944 1 460 . 1 1 96 96 LYS H H 1 7.331 0.001 . 1 . . . . . 95 LYS H . 27944 1 461 . 1 1 96 96 LYS C C 13 174.584 0.000 . 1 . . . . . 95 LYS C . 27944 1 462 . 1 1 96 96 LYS CA C 13 54.956 0.000 . 1 . . . . . 95 LYS CA . 27944 1 463 . 1 1 96 96 LYS CB C 13 37.771 0.000 . 1 . . . . . 95 LYS CB . 27944 1 464 . 1 1 96 96 LYS N N 15 113.843 0.003 . 1 . . . . . 95 LYS N . 27944 1 465 . 1 1 97 97 GLU H H 1 8.665 0.000 . 1 . . . . . 96 GLU H . 27944 1 466 . 1 1 97 97 GLU C C 13 176.227 0.000 . 1 . . . . . 96 GLU C . 27944 1 467 . 1 1 97 97 GLU CA C 13 54.997 0.000 . 1 . . . . . 96 GLU CA . 27944 1 468 . 1 1 97 97 GLU CB C 13 33.199 0.000 . 1 . . . . . 96 GLU CB . 27944 1 469 . 1 1 97 97 GLU N N 15 121.918 0.006 . 1 . . . . . 96 GLU N . 27944 1 470 . 1 1 98 98 GLY H H 1 8.591 0.001 . 1 . . . . . 97 GLY H . 27944 1 471 . 1 1 98 98 GLY C C 13 175.385 0.000 . 1 . . . . . 97 GLY C . 27944 1 472 . 1 1 98 98 GLY CA C 13 47.733 0.000 . 1 . . . . . 97 GLY CA . 27944 1 473 . 1 1 98 98 GLY N N 15 113.899 0.005 . 1 . . . . . 97 GLY N . 27944 1 474 . 1 1 99 99 VAL H H 1 9.258 0.000 . 1 . . . . . 98 VAL H . 27944 1 475 . 1 1 99 99 VAL C C 13 175.623 0.000 . 1 . . . . . 98 VAL C . 27944 1 476 . 1 1 99 99 VAL CA C 13 59.635 0.000 . 1 . . . . . 98 VAL CA . 27944 1 477 . 1 1 99 99 VAL CB C 13 34.323 0.000 . 1 . . . . . 98 VAL CB . 27944 1 478 . 1 1 99 99 VAL N N 15 114.638 0.004 . 1 . . . . . 98 VAL N . 27944 1 479 . 1 1 100 100 SER H H 1 8.985 0.002 . 1 . . . . . 99 SER H . 27944 1 480 . 1 1 100 100 SER C C 13 174.460 0.000 . 1 . . . . . 99 SER C . 27944 1 481 . 1 1 100 100 SER CA C 13 57.884 0.000 . 1 . . . . . 99 SER CA . 27944 1 482 . 1 1 100 100 SER CB C 13 65.344 0.000 . 1 . . . . . 99 SER CB . 27944 1 483 . 1 1 100 100 SER N N 15 116.027 0.001 . 1 . . . . . 99 SER N . 27944 1 484 . 1 1 101 101 LYS H H 1 9.154 0.000 . 1 . . . . . 100 LYS H . 27944 1 485 . 1 1 101 101 LYS C C 13 178.405 0.000 . 1 . . . . . 100 LYS C . 27944 1 486 . 1 1 101 101 LYS CA C 13 60.066 0.000 . 1 . . . . . 100 LYS CA . 27944 1 487 . 1 1 101 101 LYS CB C 13 32.330 0.000 . 1 . . . . . 100 LYS CB . 27944 1 488 . 1 1 101 101 LYS N N 15 121.891 0.004 . 1 . . . . . 100 LYS N . 27944 1 489 . 1 1 102 102 ASP H H 1 8.390 0.000 . 1 . . . . . 101 ASP H . 27944 1 490 . 1 1 102 102 ASP C C 13 179.375 0.000 . 1 . . . . . 101 ASP C . 27944 1 491 . 1 1 102 102 ASP CA C 13 57.323 0.000 . 1 . . . . . 101 ASP CA . 27944 1 492 . 1 1 102 102 ASP CB C 13 40.315 0.000 . 1 . . . . . 101 ASP CB . 27944 1 493 . 1 1 102 102 ASP N N 15 116.268 0.002 . 1 . . . . . 101 ASP N . 27944 1 494 . 1 1 103 103 ASP H H 1 7.839 0.001 . 1 . . . . . 102 ASP H . 27944 1 495 . 1 1 103 103 ASP C C 13 179.118 0.000 . 1 . . . . . 102 ASP C . 27944 1 496 . 1 1 103 103 ASP CA C 13 57.327 0.000 . 1 . . . . . 102 ASP CA . 27944 1 497 . 1 1 103 103 ASP CB C 13 40.080 0.000 . 1 . . . . . 102 ASP CB . 27944 1 498 . 1 1 103 103 ASP N N 15 122.223 0.001 . 1 . . . . . 102 ASP N . 27944 1 499 . 1 1 104 104 ALA H H 1 8.787 0.001 . 1 . . . . . 103 ALA H . 27944 1 500 . 1 1 104 104 ALA C C 13 178.943 0.000 . 1 . . . . . 103 ALA C . 27944 1 501 . 1 1 104 104 ALA CA C 13 55.229 0.000 . 1 . . . . . 103 ALA CA . 27944 1 502 . 1 1 104 104 ALA CB C 13 18.219 0.000 . 1 . . . . . 103 ALA CB . 27944 1 503 . 1 1 104 104 ALA N N 15 123.784 0.003 . 1 . . . . . 103 ALA N . 27944 1 504 . 1 1 105 105 GLU H H 1 8.309 0.001 . 1 . . . . . 104 GLU H . 27944 1 505 . 1 1 105 105 GLU C C 13 179.164 0.000 . 1 . . . . . 104 GLU C . 27944 1 506 . 1 1 105 105 GLU CA C 13 59.158 0.000 . 1 . . . . . 104 GLU CA . 27944 1 507 . 1 1 105 105 GLU CB C 13 29.147 0.000 . 1 . . . . . 104 GLU CB . 27944 1 508 . 1 1 105 105 GLU N N 15 116.527 0.003 . 1 . . . . . 104 GLU N . 27944 1 509 . 1 1 106 106 ALA H H 1 7.807 0.001 . 1 . . . . . 105 ALA H . 27944 1 510 . 1 1 106 106 ALA C C 13 180.951 0.000 . 1 . . . . . 105 ALA C . 27944 1 511 . 1 1 106 106 ALA CA C 13 55.202 0.000 . 1 . . . . . 105 ALA CA . 27944 1 512 . 1 1 106 106 ALA CB C 13 18.085 0.000 . 1 . . . . . 105 ALA CB . 27944 1 513 . 1 1 106 106 ALA N N 15 122.008 0.009 . 1 . . . . . 105 ALA N . 27944 1 514 . 1 1 107 107 LEU H H 1 7.818 0.000 . 1 . . . . . 106 LEU H . 27944 1 515 . 1 1 107 107 LEU C C 13 177.806 0.000 . 1 . . . . . 106 LEU C . 27944 1 516 . 1 1 107 107 LEU CA C 13 57.701 0.000 . 1 . . . . . 106 LEU CA . 27944 1 517 . 1 1 107 107 LEU CB C 13 41.787 0.000 . 1 . . . . . 106 LEU CB . 27944 1 518 . 1 1 107 107 LEU N N 15 120.980 0.005 . 1 . . . . . 106 LEU N . 27944 1 519 . 1 1 108 108 LYS H H 1 8.429 0.001 . 1 . . . . . 107 LYS H . 27944 1 520 . 1 1 108 108 LYS C C 13 177.249 0.000 . 1 . . . . . 107 LYS C . 27944 1 521 . 1 1 108 108 LYS CA C 13 60.464 0.000 . 1 . . . . . 107 LYS CA . 27944 1 522 . 1 1 108 108 LYS CB C 13 33.008 0.000 . 1 . . . . . 107 LYS CB . 27944 1 523 . 1 1 108 108 LYS N N 15 119.536 0.009 . 1 . . . . . 107 LYS N . 27944 1 524 . 1 1 109 109 LYS H H 1 8.073 0.000 . 1 . . . . . 108 LYS H . 27944 1 525 . 1 1 109 109 LYS C C 13 178.855 0.000 . 1 . . . . . 108 LYS C . 27944 1 526 . 1 1 109 109 LYS CA C 13 59.635 0.000 . 1 . . . . . 108 LYS CA . 27944 1 527 . 1 1 109 109 LYS CB C 13 32.652 0.000 . 1 . . . . . 108 LYS CB . 27944 1 528 . 1 1 109 109 LYS N N 15 117.456 0.003 . 1 . . . . . 108 LYS N . 27944 1 529 . 1 1 110 110 ALA H H 1 7.635 0.000 . 1 . . . . . 109 ALA H . 27944 1 530 . 1 1 110 110 ALA C C 13 180.899 0.000 . 1 . . . . . 109 ALA C . 27944 1 531 . 1 1 110 110 ALA CA C 13 54.921 0.000 . 1 . . . . . 109 ALA CA . 27944 1 532 . 1 1 110 110 ALA CB C 13 17.994 0.000 . 1 . . . . . 109 ALA CB . 27944 1 533 . 1 1 110 110 ALA N N 15 120.168 0.001 . 1 . . . . . 109 ALA N . 27944 1 534 . 1 1 111 111 LEU H H 1 8.161 0.000 . 1 . . . . . 110 LEU H . 27944 1 535 . 1 1 111 111 LEU C C 13 179.403 0.000 . 1 . . . . . 110 LEU C . 27944 1 536 . 1 1 111 111 LEU CA C 13 57.064 0.000 . 1 . . . . . 110 LEU CA . 27944 1 537 . 1 1 111 111 LEU CB C 13 41.399 0.000 . 1 . . . . . 110 LEU CB . 27944 1 538 . 1 1 111 111 LEU N N 15 118.027 0.008 . 1 . . . . . 110 LEU N . 27944 1 539 . 1 1 112 112 GLU H H 1 8.896 0.001 . 1 . . . . . 111 GLU H . 27944 1 540 . 1 1 112 112 GLU C C 13 171.888 0.000 . 1 . . . . . 111 GLU C . 27944 1 541 . 1 1 112 112 GLU CA C 13 59.714 0.000 . 1 . . . . . 111 GLU CA . 27944 1 542 . 1 1 112 112 GLU CB C 13 28.827 0.000 . 1 . . . . . 111 GLU CB . 27944 1 543 . 1 1 112 112 GLU N N 15 120.955 0.004 . 1 . . . . . 111 GLU N . 27944 1 544 . 1 1 113 113 GLU H H 1 8.300 0.000 . 1 . . . . . 112 GLU H . 27944 1 545 . 1 1 113 113 GLU C C 13 177.651 0.000 . 1 . . . . . 112 GLU C . 27944 1 546 . 1 1 113 113 GLU CA C 13 59.412 0.000 . 1 . . . . . 112 GLU CA . 27944 1 547 . 1 1 113 113 GLU CB C 13 29.135 0.000 . 1 . . . . . 112 GLU CB . 27944 1 548 . 1 1 113 113 GLU N N 15 122.064 0.006 . 1 . . . . . 112 GLU N . 27944 1 549 . 1 1 114 114 ALA H H 1 7.037 0.001 . 1 . . . . . 113 ALA H . 27944 1 550 . 1 1 114 114 ALA C C 13 176.812 0.000 . 1 . . . . . 113 ALA C . 27944 1 551 . 1 1 114 114 ALA CA C 13 51.991 0.000 . 1 . . . . . 113 ALA CA . 27944 1 552 . 1 1 114 114 ALA CB C 13 19.022 0.000 . 1 . . . . . 113 ALA CB . 27944 1 553 . 1 1 114 114 ALA N N 15 118.853 0.002 . 1 . . . . . 113 ALA N . 27944 1 554 . 1 1 115 115 GLY H H 1 7.783 0.001 . 1 . . . . . 114 GLY H . 27944 1 555 . 1 1 115 115 GLY C C 13 174.056 0.000 . 1 . . . . . 114 GLY C . 27944 1 556 . 1 1 115 115 GLY CA C 13 45.244 0.000 . 1 . . . . . 114 GLY CA . 27944 1 557 . 1 1 115 115 GLY N N 15 106.073 0.003 . 1 . . . . . 114 GLY N . 27944 1 558 . 1 1 116 116 ALA H H 1 7.627 0.000 . 1 . . . . . 115 ALA H . 27944 1 559 . 1 1 116 116 ALA C C 13 175.881 0.000 . 1 . . . . . 115 ALA C . 27944 1 560 . 1 1 116 116 ALA CA C 13 51.417 0.000 . 1 . . . . . 115 ALA CA . 27944 1 561 . 1 1 116 116 ALA CB C 13 21.042 0.000 . 1 . . . . . 115 ALA CB . 27944 1 562 . 1 1 116 116 ALA N N 15 121.771 0.005 . 1 . . . . . 115 ALA N . 27944 1 563 . 1 1 117 117 GLU H H 1 8.297 0.001 . 1 . . . . . 116 GLU H . 27944 1 564 . 1 1 117 117 GLU C C 13 175.951 0.000 . 1 . . . . . 116 GLU C . 27944 1 565 . 1 1 117 117 GLU CA C 13 55.259 0.000 . 1 . . . . . 116 GLU CA . 27944 1 566 . 1 1 117 117 GLU CB C 13 31.940 0.000 . 1 . . . . . 116 GLU CB . 27944 1 567 . 1 1 117 117 GLU N N 15 118.298 0.003 . 1 . . . . . 116 GLU N . 27944 1 568 . 1 1 118 118 VAL H H 1 9.322 0.001 . 1 . . . . . 117 VAL H . 27944 1 569 . 1 1 118 118 VAL C C 13 173.870 0.000 . 1 . . . . . 117 VAL C . 27944 1 570 . 1 1 118 118 VAL CA C 13 60.065 0.000 . 1 . . . . . 117 VAL CA . 27944 1 571 . 1 1 118 118 VAL CB C 13 36.242 0.000 . 1 . . . . . 117 VAL CB . 27944 1 572 . 1 1 118 118 VAL N N 15 126.014 0.006 . 1 . . . . . 117 VAL N . 27944 1 573 . 1 1 119 119 GLU H H 1 9.084 0.002 . 1 . . . . . 118 GLU H . 27944 1 574 . 1 1 119 119 GLU C C 13 173.876 0.000 . 1 . . . . . 118 GLU C . 27944 1 575 . 1 1 119 119 GLU CA C 13 54.824 0.000 . 1 . . . . . 118 GLU CA . 27944 1 576 . 1 1 119 119 GLU CB C 13 34.236 0.000 . 1 . . . . . 118 GLU CB . 27944 1 577 . 1 1 119 119 GLU N N 15 125.623 0.010 . 1 . . . . . 118 GLU N . 27944 1 578 . 1 1 120 120 VAL H H 1 8.663 0.001 . 1 . . . . . 119 VAL H . 27944 1 579 . 1 1 120 120 VAL C C 13 175.370 0.000 . 1 . . . . . 119 VAL C . 27944 1 580 . 1 1 120 120 VAL CA C 13 61.585 0.000 . 1 . . . . . 119 VAL CA . 27944 1 581 . 1 1 120 120 VAL CB C 13 33.021 0.000 . 1 . . . . . 119 VAL CB . 27944 1 582 . 1 1 120 120 VAL N N 15 126.195 0.004 . 1 . . . . . 119 VAL N . 27944 1 583 . 1 1 121 121 LYS H H 1 9.083 0.002 . 1 . . . . . 120 LYS H . 27944 1 584 . 1 1 121 121 LYS C C 13 180.132 0.000 . 1 . . . . . 120 LYS C . 27944 1 585 . 1 1 121 121 LYS CA C 13 57.183 0.000 . 1 . . . . . 120 LYS CA . 27944 1 586 . 1 1 121 121 LYS CB C 13 35.692 0.000 . 1 . . . . . 120 LYS CB . 27944 1 587 . 1 1 121 121 LYS N N 15 132.867 0.003 . 1 . . . . . 120 LYS N . 27944 1 stop_ save_