data_27189 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27189 _Entry.Title ; N,H,Ca,Cb chemical shifts and methionine sidechain chemical shifts of the isolated P1 domain of CheA from Escherichia Coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-21 _Entry.Accession_date 2017-07-21 _Entry.Last_release_date 2017-07-21 _Entry.Original_release_date 2017-07-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yuichi Minato . . . . 27189 2 Takumi Ueda . . . . 27189 3 Asako Machiyama . . . . 27189 4 Hideo Iwai . . . . 27189 5 Ichio Shimada . . . . 27189 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27189 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 254 27189 '15N chemical shifts' 128 27189 '1H chemical shifts' 168 27189 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 . . 2017-12-14 . original BMRB . 27189 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27189 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29184123 _Citation.Full_citation . _Citation.Title ; Dynamic domain arrangement of CheA-CheY complex regulates bacterial thermotaxis, as revealed by NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _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 16462 _Citation.Page_last 16462 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuichi Minato . . . . 27189 1 2 Takumi Ueda . . . . 27189 1 3 Asako Machiyama . . . . 27189 1 4 Hideo Iwai . . . . 27189 1 5 Ichio Shimada . . . . 27189 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27189 _Assembly.ID 1 _Assembly.Name 'P1 domain of CheA' _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 'P1 domain of CheA' 1 $P1_domain_of_CheA A . yes native no no . . . 27189 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P1_domain_of_CheA _Entity.Sf_category entity _Entity.Sf_framecode P1_domain_of_CheA _Entity.Entry_ID 27189 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name P1_domain_of_CheA _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 ; MDISDFYQTFFDEADELLAD MEQHLLVLQPEAPDAEQLNA IFRAAHSIKGGAGTFGFSVL QETTHLMENLLDEARRGEMQ LNTDIINLFLETKDIMQEQL DAYKQSQEPDAASFDYICQA LRQLALEAKGET ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 3 MET . 27189 1 2 4 ASP . 27189 1 3 5 ILE . 27189 1 4 6 SER . 27189 1 5 7 ASP . 27189 1 6 8 PHE . 27189 1 7 9 TYR . 27189 1 8 10 GLN . 27189 1 9 11 THR . 27189 1 10 12 PHE . 27189 1 11 13 PHE . 27189 1 12 14 ASP . 27189 1 13 15 GLU . 27189 1 14 16 ALA . 27189 1 15 17 ASP . 27189 1 16 18 GLU . 27189 1 17 19 LEU . 27189 1 18 20 LEU . 27189 1 19 21 ALA . 27189 1 20 22 ASP . 27189 1 21 23 MET . 27189 1 22 24 GLU . 27189 1 23 25 GLN . 27189 1 24 26 HIS . 27189 1 25 27 LEU . 27189 1 26 28 LEU . 27189 1 27 29 VAL . 27189 1 28 30 LEU . 27189 1 29 31 GLN . 27189 1 30 32 PRO . 27189 1 31 33 GLU . 27189 1 32 34 ALA . 27189 1 33 35 PRO . 27189 1 34 36 ASP . 27189 1 35 37 ALA . 27189 1 36 38 GLU . 27189 1 37 39 GLN . 27189 1 38 40 LEU . 27189 1 39 41 ASN . 27189 1 40 42 ALA . 27189 1 41 43 ILE . 27189 1 42 44 PHE . 27189 1 43 45 ARG . 27189 1 44 46 ALA . 27189 1 45 47 ALA . 27189 1 46 48 HIS . 27189 1 47 49 SER . 27189 1 48 50 ILE . 27189 1 49 51 LYS . 27189 1 50 52 GLY . 27189 1 51 53 GLY . 27189 1 52 54 ALA . 27189 1 53 55 GLY . 27189 1 54 56 THR . 27189 1 55 57 PHE . 27189 1 56 58 GLY . 27189 1 57 59 PHE . 27189 1 58 60 SER . 27189 1 59 61 VAL . 27189 1 60 62 LEU . 27189 1 61 63 GLN . 27189 1 62 64 GLU . 27189 1 63 65 THR . 27189 1 64 66 THR . 27189 1 65 67 HIS . 27189 1 66 68 LEU . 27189 1 67 69 MET . 27189 1 68 70 GLU . 27189 1 69 71 ASN . 27189 1 70 72 LEU . 27189 1 71 73 LEU . 27189 1 72 74 ASP . 27189 1 73 75 GLU . 27189 1 74 76 ALA . 27189 1 75 77 ARG . 27189 1 76 78 ARG . 27189 1 77 79 GLY . 27189 1 78 80 GLU . 27189 1 79 81 MET . 27189 1 80 82 GLN . 27189 1 81 83 LEU . 27189 1 82 84 ASN . 27189 1 83 85 THR . 27189 1 84 86 ASP . 27189 1 85 87 ILE . 27189 1 86 88 ILE . 27189 1 87 89 ASN . 27189 1 88 90 LEU . 27189 1 89 91 PHE . 27189 1 90 92 LEU . 27189 1 91 93 GLU . 27189 1 92 94 THR . 27189 1 93 95 LYS . 27189 1 94 96 ASP . 27189 1 95 97 ILE . 27189 1 96 98 MET . 27189 1 97 99 GLN . 27189 1 98 100 GLU . 27189 1 99 101 GLN . 27189 1 100 102 LEU . 27189 1 101 103 ASP . 27189 1 102 104 ALA . 27189 1 103 105 TYR . 27189 1 104 106 LYS . 27189 1 105 107 GLN . 27189 1 106 108 SER . 27189 1 107 109 GLN . 27189 1 108 110 GLU . 27189 1 109 111 PRO . 27189 1 110 112 ASP . 27189 1 111 113 ALA . 27189 1 112 114 ALA . 27189 1 113 115 SER . 27189 1 114 116 PHE . 27189 1 115 117 ASP . 27189 1 116 118 TYR . 27189 1 117 119 ILE . 27189 1 118 120 CYS . 27189 1 119 121 GLN . 27189 1 120 122 ALA . 27189 1 121 123 LEU . 27189 1 122 124 ARG . 27189 1 123 125 GLN . 27189 1 124 126 LEU . 27189 1 125 127 ALA . 27189 1 126 128 LEU . 27189 1 127 129 GLU . 27189 1 128 130 ALA . 27189 1 129 131 LYS . 27189 1 130 132 GLY . 27189 1 131 133 GLU . 27189 1 132 134 THR . 27189 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 27189 1 . ASP 2 2 27189 1 . ILE 3 3 27189 1 . SER 4 4 27189 1 . ASP 5 5 27189 1 . PHE 6 6 27189 1 . TYR 7 7 27189 1 . GLN 8 8 27189 1 . THR 9 9 27189 1 . PHE 10 10 27189 1 . PHE 11 11 27189 1 . ASP 12 12 27189 1 . GLU 13 13 27189 1 . ALA 14 14 27189 1 . ASP 15 15 27189 1 . GLU 16 16 27189 1 . LEU 17 17 27189 1 . LEU 18 18 27189 1 . ALA 19 19 27189 1 . ASP 20 20 27189 1 . MET 21 21 27189 1 . GLU 22 22 27189 1 . GLN 23 23 27189 1 . HIS 24 24 27189 1 . LEU 25 25 27189 1 . LEU 26 26 27189 1 . VAL 27 27 27189 1 . LEU 28 28 27189 1 . GLN 29 29 27189 1 . PRO 30 30 27189 1 . GLU 31 31 27189 1 . ALA 32 32 27189 1 . PRO 33 33 27189 1 . ASP 34 34 27189 1 . ALA 35 35 27189 1 . GLU 36 36 27189 1 . GLN 37 37 27189 1 . LEU 38 38 27189 1 . ASN 39 39 27189 1 . ALA 40 40 27189 1 . ILE 41 41 27189 1 . PHE 42 42 27189 1 . ARG 43 43 27189 1 . ALA 44 44 27189 1 . ALA 45 45 27189 1 . HIS 46 46 27189 1 . SER 47 47 27189 1 . ILE 48 48 27189 1 . LYS 49 49 27189 1 . GLY 50 50 27189 1 . GLY 51 51 27189 1 . ALA 52 52 27189 1 . GLY 53 53 27189 1 . THR 54 54 27189 1 . PHE 55 55 27189 1 . GLY 56 56 27189 1 . PHE 57 57 27189 1 . SER 58 58 27189 1 . VAL 59 59 27189 1 . LEU 60 60 27189 1 . GLN 61 61 27189 1 . GLU 62 62 27189 1 . THR 63 63 27189 1 . THR 64 64 27189 1 . HIS 65 65 27189 1 . LEU 66 66 27189 1 . MET 67 67 27189 1 . GLU 68 68 27189 1 . ASN 69 69 27189 1 . LEU 70 70 27189 1 . LEU 71 71 27189 1 . ASP 72 72 27189 1 . GLU 73 73 27189 1 . ALA 74 74 27189 1 . ARG 75 75 27189 1 . ARG 76 76 27189 1 . GLY 77 77 27189 1 . GLU 78 78 27189 1 . MET 79 79 27189 1 . GLN 80 80 27189 1 . LEU 81 81 27189 1 . ASN 82 82 27189 1 . THR 83 83 27189 1 . ASP 84 84 27189 1 . ILE 85 85 27189 1 . ILE 86 86 27189 1 . ASN 87 87 27189 1 . LEU 88 88 27189 1 . PHE 89 89 27189 1 . LEU 90 90 27189 1 . GLU 91 91 27189 1 . THR 92 92 27189 1 . LYS 93 93 27189 1 . ASP 94 94 27189 1 . ILE 95 95 27189 1 . MET 96 96 27189 1 . GLN 97 97 27189 1 . GLU 98 98 27189 1 . GLN 99 99 27189 1 . LEU 100 100 27189 1 . ASP 101 101 27189 1 . ALA 102 102 27189 1 . TYR 103 103 27189 1 . LYS 104 104 27189 1 . GLN 105 105 27189 1 . SER 106 106 27189 1 . GLN 107 107 27189 1 . GLU 108 108 27189 1 . PRO 109 109 27189 1 . ASP 110 110 27189 1 . ALA 111 111 27189 1 . ALA 112 112 27189 1 . SER 113 113 27189 1 . PHE 114 114 27189 1 . ASP 115 115 27189 1 . TYR 116 116 27189 1 . ILE 117 117 27189 1 . CYS 118 118 27189 1 . GLN 119 119 27189 1 . ALA 120 120 27189 1 . LEU 121 121 27189 1 . ARG 122 122 27189 1 . GLN 123 123 27189 1 . LEU 124 124 27189 1 . ALA 125 125 27189 1 . LEU 126 126 27189 1 . GLU 127 127 27189 1 . ALA 128 128 27189 1 . LYS 129 129 27189 1 . GLY 130 130 27189 1 . GLU 131 131 27189 1 . THR 132 132 27189 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 27189 _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 $P1_domain_of_CheA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27189 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 27189 _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 $P1_domain_of_CheA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET43a . . . 27189 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27189 _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 'P1 domain of CheA' '[U-13C; U-15N]' . . 1 $P1_domain_of_CheA . . 0.78 . . mM . . . . 27189 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27189 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27189 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 27189 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 27189 1 pH 7.1 . pH 27189 1 pressure 1 . atm 27189 1 temperature 303 . K 27189 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27189 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27189 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27189 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 27189 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27189 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27189 _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 . 500 . . . 27189 1 2 spectrometer_2 Bruker Avance . 600 . . . 27189 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 27189 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27189 1 2 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27189 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 27189 _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 external indirect 0.251449530 . . . . . 27189 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 27189 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 27189 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 27189 _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 '3D HNCACB' . . . 27189 1 2 '3D HCCH-TOCSY' . . . 27189 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 H H 1 8.47 0.02 . 1 . . . . . 3 MET H . 27189 1 2 . 1 1 1 1 MET HA H 1 4.56 0.02 . 1 . . . . . 3 MET HA . 27189 1 3 . 1 1 1 1 MET HB2 H 1 2.08 0.02 . 2 . . . . . 3 MET HB1 . 27189 1 4 . 1 1 1 1 MET HB3 H 1 2.08 0.02 . 2 . . . . . 3 MET HB2 . 27189 1 5 . 1 1 1 1 MET HG2 H 1 2.59 0.02 . 2 . . . . . 3 MET HG1 . 27189 1 6 . 1 1 1 1 MET HG3 H 1 2.66 0.02 . 2 . . . . . 3 MET HG2 . 27189 1 7 . 1 1 1 1 MET HE1 H 1 2.12 0.02 . 1 . . . . . 3 MET HE . 27189 1 8 . 1 1 1 1 MET HE2 H 1 2.12 0.02 . 1 . . . . . 3 MET HE . 27189 1 9 . 1 1 1 1 MET HE3 H 1 2.12 0.02 . 1 . . . . . 3 MET HE . 27189 1 10 . 1 1 1 1 MET CA C 13 55.7 0.2 . 1 . . . . . 3 MET CA . 27189 1 11 . 1 1 1 1 MET CB C 13 33.1 0.2 . 1 . . . . . 3 MET CB . 27189 1 12 . 1 1 1 1 MET CG C 13 31.8 0.2 . 1 . . . . . 3 MET CG . 27189 1 13 . 1 1 1 1 MET CE C 13 16.8 0.2 . 1 . . . . . 3 MET CE . 27189 1 14 . 1 1 1 1 MET N N 15 122.0 0.2 . 1 . . . . . 3 MET N . 27189 1 15 . 1 1 2 2 ASP H H 1 8.47 0.02 . 1 . . . . . 4 ASP H . 27189 1 16 . 1 1 2 2 ASP CA C 13 54.1 0.2 . 1 . . . . . 4 ASP CA . 27189 1 17 . 1 1 2 2 ASP CB C 13 41.5 0.2 . 1 . . . . . 4 ASP CB . 27189 1 18 . 1 1 2 2 ASP N N 15 122.1 0.2 . 1 . . . . . 4 ASP N . 27189 1 19 . 1 1 3 3 ILE H H 1 8.22 0.02 . 1 . . . . . 5 ILE H . 27189 1 20 . 1 1 3 3 ILE CA C 13 61.9 0.2 . 1 . . . . . 5 ILE CA . 27189 1 21 . 1 1 3 3 ILE CB C 13 38.6 0.2 . 1 . . . . . 5 ILE CB . 27189 1 22 . 1 1 3 3 ILE N N 15 121.4 0.2 . 1 . . . . . 5 ILE N . 27189 1 23 . 1 1 5 5 ASP H H 1 8.28 0.02 . 1 . . . . . 7 ASP H . 27189 1 24 . 1 1 5 5 ASP CA C 13 55.8 0.2 . 1 . . . . . 7 ASP CA . 27189 1 25 . 1 1 5 5 ASP CB C 13 40.7 0.2 . 1 . . . . . 7 ASP CB . 27189 1 26 . 1 1 5 5 ASP N N 15 122.0 0.2 . 1 . . . . . 7 ASP N . 27189 1 27 . 1 1 6 6 PHE H H 1 7.97 0.02 . 1 . . . . . 8 PHE H . 27189 1 28 . 1 1 6 6 PHE CA C 13 59.3 0.2 . 1 . . . . . 8 PHE CA . 27189 1 29 . 1 1 6 6 PHE CB C 13 38.8 0.2 . 1 . . . . . 8 PHE CB . 27189 1 30 . 1 1 6 6 PHE N N 15 119.4 0.2 . 1 . . . . . 8 PHE N . 27189 1 31 . 1 1 7 7 TYR H H 1 7.7 0.02 . 1 . . . . . 9 TYR H . 27189 1 32 . 1 1 7 7 TYR CA C 13 59.1 0.2 . 1 . . . . . 9 TYR CA . 27189 1 33 . 1 1 7 7 TYR CB C 13 37.9 0.2 . 1 . . . . . 9 TYR CB . 27189 1 34 . 1 1 7 7 TYR N N 15 118.4 0.2 . 1 . . . . . 9 TYR N . 27189 1 35 . 1 1 8 8 GLN H H 1 7.95 0.02 . 1 . . . . . 10 GLN H . 27189 1 36 . 1 1 8 8 GLN CA C 13 59.1 0.2 . 1 . . . . . 10 GLN CA . 27189 1 37 . 1 1 8 8 GLN CB C 13 28.4 0.2 . 1 . . . . . 10 GLN CB . 27189 1 38 . 1 1 8 8 GLN N N 15 117.6 0.2 . 1 . . . . . 10 GLN N . 27189 1 39 . 1 1 9 9 THR H H 1 7.92 0.02 . 1 . . . . . 11 THR H . 27189 1 40 . 1 1 9 9 THR CA C 13 66.1 0.2 . 1 . . . . . 11 THR CA . 27189 1 41 . 1 1 9 9 THR CB C 13 69.0 0.2 . 1 . . . . . 11 THR CB . 27189 1 42 . 1 1 9 9 THR N N 15 112.3 0.2 . 1 . . . . . 11 THR N . 27189 1 43 . 1 1 10 10 PHE H H 1 7.52 0.02 . 1 . . . . . 12 PHE H . 27189 1 44 . 1 1 10 10 PHE CA C 13 60.8 0.2 . 1 . . . . . 12 PHE CA . 27189 1 45 . 1 1 10 10 PHE CB C 13 38.9 0.2 . 1 . . . . . 12 PHE CB . 27189 1 46 . 1 1 10 10 PHE N N 15 121.8 0.2 . 1 . . . . . 12 PHE N . 27189 1 47 . 1 1 11 11 PHE H H 1 8.31 0.02 . 1 . . . . . 13 PHE H . 27189 1 48 . 1 1 11 11 PHE CA C 13 59.9 0.2 . 1 . . . . . 13 PHE CA . 27189 1 49 . 1 1 11 11 PHE CB C 13 37.5 0.2 . 1 . . . . . 13 PHE CB . 27189 1 50 . 1 1 11 11 PHE N N 15 118.3 0.2 . 1 . . . . . 13 PHE N . 27189 1 51 . 1 1 12 12 ASP H H 1 8.31 0.02 . 1 . . . . . 14 ASP H . 27189 1 52 . 1 1 12 12 ASP CA C 13 57.9 0.2 . 1 . . . . . 14 ASP CA . 27189 1 53 . 1 1 12 12 ASP CB C 13 40.3 0.2 . 1 . . . . . 14 ASP CB . 27189 1 54 . 1 1 12 12 ASP N N 15 117.7 0.2 . 1 . . . . . 14 ASP N . 27189 1 55 . 1 1 13 13 GLU H H 1 8.06 0.02 . 1 . . . . . 15 GLU H . 27189 1 56 . 1 1 13 13 GLU CA C 13 59.5 0.2 . 1 . . . . . 15 GLU CA . 27189 1 57 . 1 1 13 13 GLU CB C 13 29.8 0.2 . 1 . . . . . 15 GLU CB . 27189 1 58 . 1 1 13 13 GLU N N 15 121.6 0.2 . 1 . . . . . 15 GLU N . 27189 1 59 . 1 1 14 14 ALA H H 1 9.2 0.02 . 1 . . . . . 16 ALA H . 27189 1 60 . 1 1 14 14 ALA CA C 13 55.5 0.2 . 1 . . . . . 16 ALA CA . 27189 1 61 . 1 1 14 14 ALA CB C 13 17.9 0.2 . 1 . . . . . 16 ALA CB . 27189 1 62 . 1 1 14 14 ALA N N 15 122.0 0.2 . 1 . . . . . 16 ALA N . 27189 1 63 . 1 1 15 15 ASP H H 1 8.32 0.02 . 1 . . . . . 17 ASP H . 27189 1 64 . 1 1 15 15 ASP CA C 13 58.0 0.2 . 1 . . . . . 17 ASP CA . 27189 1 65 . 1 1 15 15 ASP CB C 13 40.5 0.2 . 1 . . . . . 17 ASP CB . 27189 1 66 . 1 1 15 15 ASP N N 15 118.0 0.2 . 1 . . . . . 17 ASP N . 27189 1 67 . 1 1 16 16 GLU H H 1 7.42 0.02 . 1 . . . . . 18 GLU H . 27189 1 68 . 1 1 16 16 GLU CA C 13 59.6 0.2 . 1 . . . . . 18 GLU CA . 27189 1 69 . 1 1 16 16 GLU CB C 13 29.3 0.2 . 1 . . . . . 18 GLU CB . 27189 1 70 . 1 1 16 16 GLU N N 15 120.3 0.2 . 1 . . . . . 18 GLU N . 27189 1 71 . 1 1 17 17 LEU H H 1 8.64 0.02 . 1 . . . . . 19 LEU H . 27189 1 72 . 1 1 17 17 LEU CA C 13 58.0 0.2 . 1 . . . . . 19 LEU CA . 27189 1 73 . 1 1 17 17 LEU CB C 13 42.9 0.2 . 1 . . . . . 19 LEU CB . 27189 1 74 . 1 1 17 17 LEU N N 15 121.5 0.2 . 1 . . . . . 19 LEU N . 27189 1 75 . 1 1 18 18 LEU H H 1 8.92 0.02 . 1 . . . . . 20 LEU H . 27189 1 76 . 1 1 18 18 LEU CA C 13 58.2 0.2 . 1 . . . . . 20 LEU CA . 27189 1 77 . 1 1 18 18 LEU CB C 13 41.6 0.2 . 1 . . . . . 20 LEU CB . 27189 1 78 . 1 1 18 18 LEU N N 15 120.4 0.2 . 1 . . . . . 20 LEU N . 27189 1 79 . 1 1 19 19 ALA H H 1 7.61 0.02 . 1 . . . . . 21 ALA H . 27189 1 80 . 1 1 19 19 ALA CA C 13 55.5 0.2 . 1 . . . . . 21 ALA CA . 27189 1 81 . 1 1 19 19 ALA CB C 13 17.7 0.2 . 1 . . . . . 21 ALA CB . 27189 1 82 . 1 1 19 19 ALA N N 15 122.0 0.2 . 1 . . . . . 21 ALA N . 27189 1 83 . 1 1 20 20 ASP H H 1 8.33 0.02 . 1 . . . . . 22 ASP H . 27189 1 84 . 1 1 20 20 ASP CA C 13 57.7 0.2 . 1 . . . . . 22 ASP CA . 27189 1 85 . 1 1 20 20 ASP CB C 13 41.6 0.2 . 1 . . . . . 22 ASP CB . 27189 1 86 . 1 1 20 20 ASP N N 15 120.7 0.2 . 1 . . . . . 22 ASP N . 27189 1 87 . 1 1 21 21 MET H H 1 8.85 0.02 . 1 . . . . . 23 MET H . 27189 1 88 . 1 1 21 21 MET HA H 1 3.93 0.02 . 1 . . . . . 23 MET HA . 27189 1 89 . 1 1 21 21 MET HB2 H 1 2.29 0.02 . 2 . . . . . 23 MET HB1 . 27189 1 90 . 1 1 21 21 MET HB3 H 1 2.43 0.02 . 2 . . . . . 23 MET HB2 . 27189 1 91 . 1 1 21 21 MET HG2 H 1 2.49 0.02 . 2 . . . . . 23 MET HG1 . 27189 1 92 . 1 1 21 21 MET HG3 H 1 2.69 0.02 . 2 . . . . . 23 MET HG2 . 27189 1 93 . 1 1 21 21 MET HE1 H 1 2.0 0.02 . 1 . . . . . 23 MET HE . 27189 1 94 . 1 1 21 21 MET HE2 H 1 2.0 0.02 . 1 . . . . . 23 MET HE . 27189 1 95 . 1 1 21 21 MET HE3 H 1 2.0 0.02 . 1 . . . . . 23 MET HE . 27189 1 96 . 1 1 21 21 MET CA C 13 60.4 0.2 . 1 . . . . . 23 MET CA . 27189 1 97 . 1 1 21 21 MET CB C 13 34.3 0.2 . 1 . . . . . 23 MET CB . 27189 1 98 . 1 1 21 21 MET CG C 13 31.7 0.2 . 1 . . . . . 23 MET CG . 27189 1 99 . 1 1 21 21 MET CE C 13 16.5 0.2 . 1 . . . . . 23 MET CE . 27189 1 100 . 1 1 21 21 MET N N 15 119.4 0.2 . 1 . . . . . 23 MET N . 27189 1 101 . 1 1 22 22 GLU H H 1 8.18 0.02 . 1 . . . . . 24 GLU H . 27189 1 102 . 1 1 22 22 GLU CA C 13 60.4 0.2 . 1 . . . . . 24 GLU CA . 27189 1 103 . 1 1 22 22 GLU CB C 13 30.7 0.2 . 1 . . . . . 24 GLU CB . 27189 1 104 . 1 1 22 22 GLU N N 15 118.0 0.2 . 1 . . . . . 24 GLU N . 27189 1 105 . 1 1 23 23 GLN H H 1 7.87 0.02 . 1 . . . . . 25 GLN H . 27189 1 106 . 1 1 23 23 GLN CA C 13 59.1 0.2 . 1 . . . . . 25 GLN CA . 27189 1 107 . 1 1 23 23 GLN CB C 13 27.7 0.2 . 1 . . . . . 25 GLN CB . 27189 1 108 . 1 1 23 23 GLN N N 15 115.3 0.2 . 1 . . . . . 25 GLN N . 27189 1 109 . 1 1 24 24 HIS H H 1 7.92 0.02 . 1 . . . . . 26 HIS H . 27189 1 110 . 1 1 24 24 HIS CA C 13 59.9 0.2 . 1 . . . . . 26 HIS CA . 27189 1 111 . 1 1 24 24 HIS CB C 13 30.8 0.2 . 1 . . . . . 26 HIS CB . 27189 1 112 . 1 1 24 24 HIS N N 15 115.0 0.2 . 1 . . . . . 26 HIS N . 27189 1 113 . 1 1 25 25 LEU H H 1 8.52 0.02 . 1 . . . . . 27 LEU H . 27189 1 114 . 1 1 25 25 LEU CA C 13 58.3 0.2 . 1 . . . . . 27 LEU CA . 27189 1 115 . 1 1 25 25 LEU CB C 13 42.8 0.2 . 1 . . . . . 27 LEU CB . 27189 1 116 . 1 1 25 25 LEU N N 15 119.6 0.2 . 1 . . . . . 27 LEU N . 27189 1 117 . 1 1 26 26 LEU H H 1 7.95 0.02 . 1 . . . . . 28 LEU H . 27189 1 118 . 1 1 26 26 LEU CA C 13 57.3 0.2 . 1 . . . . . 28 LEU CA . 27189 1 119 . 1 1 26 26 LEU CB C 13 42.9 0.2 . 1 . . . . . 28 LEU CB . 27189 1 120 . 1 1 26 26 LEU N N 15 114.9 0.2 . 1 . . . . . 28 LEU N . 27189 1 121 . 1 1 27 27 VAL H H 1 7.13 0.02 . 1 . . . . . 29 VAL H . 27189 1 122 . 1 1 27 27 VAL CA C 13 60.8 0.2 . 1 . . . . . 29 VAL CA . 27189 1 123 . 1 1 27 27 VAL CB C 13 32.3 0.2 . 1 . . . . . 29 VAL CB . 27189 1 124 . 1 1 27 27 VAL N N 15 108.6 0.2 . 1 . . . . . 29 VAL N . 27189 1 125 . 1 1 28 28 LEU H H 1 7.27 0.02 . 1 . . . . . 30 LEU H . 27189 1 126 . 1 1 28 28 LEU CA C 13 55.8 0.2 . 1 . . . . . 30 LEU CA . 27189 1 127 . 1 1 28 28 LEU CB C 13 43.4 0.2 . 1 . . . . . 30 LEU CB . 27189 1 128 . 1 1 28 28 LEU N N 15 125.4 0.2 . 1 . . . . . 30 LEU N . 27189 1 129 . 1 1 29 29 GLN H H 1 8.91 0.02 . 1 . . . . . 31 GLN H . 27189 1 130 . 1 1 29 29 GLN CA C 13 52.3 0.2 . 1 . . . . . 31 GLN CA . 27189 1 131 . 1 1 29 29 GLN CB C 13 28.9 0.2 . 1 . . . . . 31 GLN CB . 27189 1 132 . 1 1 29 29 GLN N N 15 126.4 0.2 . 1 . . . . . 31 GLN N . 27189 1 133 . 1 1 31 31 GLU H H 1 8.81 0.02 . 1 . . . . . 33 GLU H . 27189 1 134 . 1 1 31 31 GLU CA C 13 57.8 0.2 . 1 . . . . . 33 GLU CA . 27189 1 135 . 1 1 31 31 GLU CB C 13 28.9 0.2 . 1 . . . . . 33 GLU CB . 27189 1 136 . 1 1 31 31 GLU N N 15 113.5 0.2 . 1 . . . . . 33 GLU N . 27189 1 137 . 1 1 32 32 ALA H H 1 7.4 0.02 . 1 . . . . . 34 ALA H . 27189 1 138 . 1 1 32 32 ALA CA C 13 50.8 0.2 . 1 . . . . . 34 ALA CA . 27189 1 139 . 1 1 32 32 ALA CB C 13 18.1 0.2 . 1 . . . . . 34 ALA CB . 27189 1 140 . 1 1 32 32 ALA N N 15 121.0 0.2 . 1 . . . . . 34 ALA N . 27189 1 141 . 1 1 34 34 ASP H H 1 8.36 0.02 . 1 . . . . . 36 ASP H . 27189 1 142 . 1 1 34 34 ASP CA C 13 54.2 0.2 . 1 . . . . . 36 ASP CA . 27189 1 143 . 1 1 34 34 ASP CB C 13 42.9 0.2 . 1 . . . . . 36 ASP CB . 27189 1 144 . 1 1 34 34 ASP N N 15 125.1 0.2 . 1 . . . . . 36 ASP N . 27189 1 145 . 1 1 35 35 ALA H H 1 8.96 0.02 . 1 . . . . . 37 ALA H . 27189 1 146 . 1 1 35 35 ALA CA C 13 55.8 0.2 . 1 . . . . . 37 ALA CA . 27189 1 147 . 1 1 35 35 ALA CB C 13 18.7 0.2 . 1 . . . . . 37 ALA CB . 27189 1 148 . 1 1 35 35 ALA N N 15 129.9 0.2 . 1 . . . . . 37 ALA N . 27189 1 149 . 1 1 36 36 GLU H H 1 8.42 0.02 . 1 . . . . . 38 GLU H . 27189 1 150 . 1 1 36 36 GLU CA C 13 59.0 0.2 . 1 . . . . . 38 GLU CA . 27189 1 151 . 1 1 36 36 GLU CB C 13 28.7 0.2 . 1 . . . . . 38 GLU CB . 27189 1 152 . 1 1 36 36 GLU N N 15 117.1 0.2 . 1 . . . . . 38 GLU N . 27189 1 153 . 1 1 37 37 GLN H H 1 8.13 0.02 . 1 . . . . . 39 GLN H . 27189 1 154 . 1 1 37 37 GLN CA C 13 59.1 0.2 . 1 . . . . . 39 GLN CA . 27189 1 155 . 1 1 37 37 GLN CB C 13 28.7 0.2 . 1 . . . . . 39 GLN CB . 27189 1 156 . 1 1 37 37 GLN N N 15 120.7 0.2 . 1 . . . . . 39 GLN N . 27189 1 157 . 1 1 38 38 LEU H H 1 8.02 0.02 . 1 . . . . . 40 LEU H . 27189 1 158 . 1 1 38 38 LEU CA C 13 58.4 0.2 . 1 . . . . . 40 LEU CA . 27189 1 159 . 1 1 38 38 LEU CB C 13 42.1 0.2 . 1 . . . . . 40 LEU CB . 27189 1 160 . 1 1 38 38 LEU N N 15 117.1 0.2 . 1 . . . . . 40 LEU N . 27189 1 161 . 1 1 39 39 ASN H H 1 8.53 0.02 . 1 . . . . . 41 ASN H . 27189 1 162 . 1 1 39 39 ASN CA C 13 56.4 0.2 . 1 . . . . . 41 ASN CA . 27189 1 163 . 1 1 39 39 ASN CB C 13 37.9 0.2 . 1 . . . . . 41 ASN CB . 27189 1 164 . 1 1 39 39 ASN N N 15 117.3 0.2 . 1 . . . . . 41 ASN N . 27189 1 165 . 1 1 40 40 ALA H H 1 7.92 0.02 . 1 . . . . . 42 ALA H . 27189 1 166 . 1 1 40 40 ALA CA C 13 55.7 0.2 . 1 . . . . . 42 ALA CA . 27189 1 167 . 1 1 40 40 ALA CB C 13 17.3 0.2 . 1 . . . . . 42 ALA CB . 27189 1 168 . 1 1 40 40 ALA N N 15 123.0 0.2 . 1 . . . . . 42 ALA N . 27189 1 169 . 1 1 41 41 ILE H H 1 7.92 0.02 . 1 . . . . . 43 ILE H . 27189 1 170 . 1 1 41 41 ILE CA C 13 66.0 0.2 . 1 . . . . . 43 ILE CA . 27189 1 171 . 1 1 41 41 ILE CB C 13 38.4 0.2 . 1 . . . . . 43 ILE CB . 27189 1 172 . 1 1 41 41 ILE N N 15 119.8 0.2 . 1 . . . . . 43 ILE N . 27189 1 173 . 1 1 42 42 PHE H H 1 8.41 0.02 . 1 . . . . . 44 PHE H . 27189 1 174 . 1 1 42 42 PHE CA C 13 62.7 0.2 . 1 . . . . . 44 PHE CA . 27189 1 175 . 1 1 42 42 PHE CB C 13 39.3 0.2 . 1 . . . . . 44 PHE CB . 27189 1 176 . 1 1 42 42 PHE N N 15 119.2 0.2 . 1 . . . . . 44 PHE N . 27189 1 177 . 1 1 43 43 ARG H H 1 8.89 0.02 . 1 . . . . . 45 ARG H . 27189 1 178 . 1 1 43 43 ARG CA C 13 60.1 0.2 . 1 . . . . . 45 ARG CA . 27189 1 179 . 1 1 43 43 ARG CB C 13 30.2 0.2 . 1 . . . . . 45 ARG CB . 27189 1 180 . 1 1 43 43 ARG N N 15 118.3 0.2 . 1 . . . . . 45 ARG N . 27189 1 181 . 1 1 44 44 ALA H H 1 7.66 0.02 . 1 . . . . . 46 ALA H . 27189 1 182 . 1 1 44 44 ALA CA C 13 55.6 0.2 . 1 . . . . . 46 ALA CA . 27189 1 183 . 1 1 44 44 ALA CB C 13 18.8 0.2 . 1 . . . . . 46 ALA CB . 27189 1 184 . 1 1 44 44 ALA N N 15 121.6 0.2 . 1 . . . . . 46 ALA N . 27189 1 185 . 1 1 45 45 ALA H H 1 7.92 0.02 . 1 . . . . . 47 ALA H . 27189 1 186 . 1 1 45 45 ALA CA C 13 55.7 0.2 . 1 . . . . . 47 ALA CA . 27189 1 187 . 1 1 45 45 ALA CB C 13 16.9 0.2 . 1 . . . . . 47 ALA CB . 27189 1 188 . 1 1 45 45 ALA N N 15 119.2 0.2 . 1 . . . . . 47 ALA N . 27189 1 189 . 1 1 46 46 HIS H H 1 8.87 0.02 . 1 . . . . . 48 HIS H . 27189 1 190 . 1 1 46 46 HIS CA C 13 59.7 0.2 . 1 . . . . . 48 HIS CA . 27189 1 191 . 1 1 46 46 HIS CB C 13 28.7 0.2 . 1 . . . . . 48 HIS CB . 27189 1 192 . 1 1 46 46 HIS N N 15 116.3 0.2 . 1 . . . . . 48 HIS N . 27189 1 193 . 1 1 47 47 SER H H 1 8.38 0.02 . 1 . . . . . 49 SER H . 27189 1 194 . 1 1 47 47 SER CA C 13 62.1 0.2 . 1 . . . . . 49 SER CA . 27189 1 195 . 1 1 47 47 SER CB C 13 63.4 0.2 . 1 . . . . . 49 SER CB . 27189 1 196 . 1 1 47 47 SER N N 15 116.3 0.2 . 1 . . . . . 49 SER N . 27189 1 197 . 1 1 48 48 ILE H H 1 8.21 0.02 . 1 . . . . . 50 ILE H . 27189 1 198 . 1 1 48 48 ILE CA C 13 66.5 0.2 . 1 . . . . . 50 ILE CA . 27189 1 199 . 1 1 48 48 ILE CB C 13 37.6 0.2 . 1 . . . . . 50 ILE CB . 27189 1 200 . 1 1 48 48 ILE N N 15 123.8 0.2 . 1 . . . . . 50 ILE N . 27189 1 201 . 1 1 49 49 LYS H H 1 8.59 0.02 . 1 . . . . . 51 LYS H . 27189 1 202 . 1 1 49 49 LYS CA C 13 61.1 0.2 . 1 . . . . . 51 LYS CA . 27189 1 203 . 1 1 49 49 LYS CB C 13 32.1 0.2 . 1 . . . . . 51 LYS CB . 27189 1 204 . 1 1 49 49 LYS N N 15 121.0 0.2 . 1 . . . . . 51 LYS N . 27189 1 205 . 1 1 50 50 GLY H H 1 7.86 0.02 . 1 . . . . . 52 GLY H . 27189 1 206 . 1 1 50 50 GLY CA C 13 47.0 0.2 . 1 . . . . . 52 GLY CA . 27189 1 207 . 1 1 50 50 GLY N N 15 105.0 0.2 . 1 . . . . . 52 GLY N . 27189 1 208 . 1 1 51 51 GLY H H 1 7.94 0.02 . 1 . . . . . 53 GLY H . 27189 1 209 . 1 1 51 51 GLY CA C 13 47.1 0.2 . 1 . . . . . 53 GLY CA . 27189 1 210 . 1 1 51 51 GLY N N 15 110.1 0.2 . 1 . . . . . 53 GLY N . 27189 1 211 . 1 1 52 52 ALA H H 1 8.89 0.02 . 1 . . . . . 54 ALA H . 27189 1 212 . 1 1 52 52 ALA CA C 13 55.4 0.2 . 1 . . . . . 54 ALA CA . 27189 1 213 . 1 1 52 52 ALA CB C 13 17.5 0.2 . 1 . . . . . 54 ALA CB . 27189 1 214 . 1 1 52 52 ALA N N 15 122.4 0.2 . 1 . . . . . 54 ALA N . 27189 1 215 . 1 1 53 53 GLY H H 1 8.07 0.02 . 1 . . . . . 55 GLY H . 27189 1 216 . 1 1 53 53 GLY CA C 13 46.6 0.2 . 1 . . . . . 55 GLY CA . 27189 1 217 . 1 1 53 53 GLY N N 15 103.0 0.2 . 1 . . . . . 55 GLY N . 27189 1 218 . 1 1 54 54 THR H H 1 7.61 0.02 . 1 . . . . . 56 THR H . 27189 1 219 . 1 1 54 54 THR CA C 13 66.4 0.2 . 1 . . . . . 56 THR CA . 27189 1 220 . 1 1 54 54 THR CB C 13 68.4 0.2 . 1 . . . . . 56 THR CB . 27189 1 221 . 1 1 54 54 THR N N 15 119.7 0.2 . 1 . . . . . 56 THR N . 27189 1 222 . 1 1 55 55 PHE H H 1 6.91 0.02 . 1 . . . . . 57 PHE H . 27189 1 223 . 1 1 55 55 PHE CA C 13 57.8 0.2 . 1 . . . . . 57 PHE CA . 27189 1 224 . 1 1 55 55 PHE CB C 13 38.4 0.2 . 1 . . . . . 57 PHE CB . 27189 1 225 . 1 1 55 55 PHE N N 15 115.7 0.2 . 1 . . . . . 57 PHE N . 27189 1 226 . 1 1 56 56 GLY H H 1 7.23 0.02 . 1 . . . . . 58 GLY H . 27189 1 227 . 1 1 56 56 GLY CA C 13 46.2 0.2 . 1 . . . . . 58 GLY CA . 27189 1 228 . 1 1 56 56 GLY N N 15 106.6 0.2 . 1 . . . . . 58 GLY N . 27189 1 229 . 1 1 57 57 PHE H H 1 8.16 0.02 . 1 . . . . . 59 PHE H . 27189 1 230 . 1 1 57 57 PHE CA C 13 52.4 0.2 . 1 . . . . . 59 PHE CA . 27189 1 231 . 1 1 57 57 PHE CB C 13 35.5 0.2 . 1 . . . . . 59 PHE CB . 27189 1 232 . 1 1 57 57 PHE N N 15 121.6 0.2 . 1 . . . . . 59 PHE N . 27189 1 233 . 1 1 58 58 SER H H 1 8.05 0.02 . 1 . . . . . 60 SER H . 27189 1 234 . 1 1 58 58 SER CA C 13 62.9 0.2 . 1 . . . . . 60 SER CA . 27189 1 235 . 1 1 58 58 SER N N 15 118.8 0.2 . 1 . . . . . 60 SER N . 27189 1 236 . 1 1 59 59 VAL H H 1 7.89 0.02 . 1 . . . . . 61 VAL H . 27189 1 237 . 1 1 59 59 VAL CA C 13 66.2 0.2 . 1 . . . . . 61 VAL CA . 27189 1 238 . 1 1 59 59 VAL CB C 13 31.2 0.2 . 1 . . . . . 61 VAL CB . 27189 1 239 . 1 1 59 59 VAL N N 15 121.2 0.2 . 1 . . . . . 61 VAL N . 27189 1 240 . 1 1 60 60 LEU H H 1 6.77 0.02 . 1 . . . . . 62 LEU H . 27189 1 241 . 1 1 60 60 LEU CA C 13 57.0 0.2 . 1 . . . . . 62 LEU CA . 27189 1 242 . 1 1 60 60 LEU CB C 13 43.7 0.2 . 1 . . . . . 62 LEU CB . 27189 1 243 . 1 1 60 60 LEU N N 15 121.5 0.2 . 1 . . . . . 62 LEU N . 27189 1 244 . 1 1 61 61 GLN H H 1 8.65 0.02 . 1 . . . . . 63 GLN H . 27189 1 245 . 1 1 61 61 GLN CA C 13 60.4 0.2 . 1 . . . . . 63 GLN CA . 27189 1 246 . 1 1 61 61 GLN CB C 13 28.3 0.2 . 1 . . . . . 63 GLN CB . 27189 1 247 . 1 1 61 61 GLN N N 15 122.1 0.2 . 1 . . . . . 63 GLN N . 27189 1 248 . 1 1 62 62 GLU H H 1 8.4 0.02 . 1 . . . . . 64 GLU H . 27189 1 249 . 1 1 62 62 GLU CA C 13 59.8 0.2 . 1 . . . . . 64 GLU CA . 27189 1 250 . 1 1 62 62 GLU CB C 13 29.4 0.2 . 1 . . . . . 64 GLU CB . 27189 1 251 . 1 1 62 62 GLU N N 15 118.2 0.2 . 1 . . . . . 64 GLU N . 27189 1 252 . 1 1 63 63 THR H H 1 8.13 0.02 . 1 . . . . . 65 THR H . 27189 1 253 . 1 1 63 63 THR N N 15 115.9 0.2 . 1 . . . . . 65 THR N . 27189 1 254 . 1 1 64 64 THR H H 1 8.21 0.02 . 1 . . . . . 66 THR H . 27189 1 255 . 1 1 64 64 THR CA C 13 66.9 0.2 . 1 . . . . . 66 THR CA . 27189 1 256 . 1 1 64 64 THR CB C 13 68.6 0.2 . 1 . . . . . 66 THR CB . 27189 1 257 . 1 1 64 64 THR N N 15 112.6 0.2 . 1 . . . . . 66 THR N . 27189 1 258 . 1 1 65 65 HIS H H 1 8.64 0.02 . 1 . . . . . 67 HIS H . 27189 1 259 . 1 1 65 65 HIS CA C 13 59.7 0.2 . 1 . . . . . 67 HIS CA . 27189 1 260 . 1 1 65 65 HIS CB C 13 31.1 0.2 . 1 . . . . . 67 HIS CB . 27189 1 261 . 1 1 65 65 HIS N N 15 122.3 0.2 . 1 . . . . . 67 HIS N . 27189 1 262 . 1 1 66 66 LEU H H 1 7.8 0.02 . 1 . . . . . 68 LEU H . 27189 1 263 . 1 1 66 66 LEU CA C 13 58.0 0.2 . 1 . . . . . 68 LEU CA . 27189 1 264 . 1 1 66 66 LEU CB C 13 42.9 0.2 . 1 . . . . . 68 LEU CB . 27189 1 265 . 1 1 66 66 LEU N N 15 117.2 0.2 . 1 . . . . . 68 LEU N . 27189 1 266 . 1 1 67 67 MET H H 1 7.76 0.02 . 1 . . . . . 69 MET H . 27189 1 267 . 1 1 67 67 MET HA H 1 3.99 0.02 . 1 . . . . . 69 MET HA . 27189 1 268 . 1 1 67 67 MET HB2 H 1 2.12 0.02 . 2 . . . . . 69 MET HB1 . 27189 1 269 . 1 1 67 67 MET HB3 H 1 2.23 0.02 . 2 . . . . . 69 MET HB2 . 27189 1 270 . 1 1 67 67 MET HG2 H 1 2.13 0.02 . 2 . . . . . 69 MET HG1 . 27189 1 271 . 1 1 67 67 MET HG3 H 1 2.21 0.02 . 2 . . . . . 69 MET HG2 . 27189 1 272 . 1 1 67 67 MET HE1 H 1 1.87 0.02 . 1 . . . . . 69 MET HE . 27189 1 273 . 1 1 67 67 MET HE2 H 1 1.87 0.02 . 1 . . . . . 69 MET HE . 27189 1 274 . 1 1 67 67 MET HE3 H 1 1.87 0.02 . 1 . . . . . 69 MET HE . 27189 1 275 . 1 1 67 67 MET CA C 13 60.1 0.2 . 1 . . . . . 69 MET CA . 27189 1 276 . 1 1 67 67 MET CB C 13 32.7 0.2 . 1 . . . . . 69 MET CB . 27189 1 277 . 1 1 67 67 MET CG C 13 32.4 0.2 . 1 . . . . . 69 MET CG . 27189 1 278 . 1 1 67 67 MET CE C 13 18.2 0.2 . 1 . . . . . 69 MET CE . 27189 1 279 . 1 1 67 67 MET N N 15 118.4 0.2 . 1 . . . . . 69 MET N . 27189 1 280 . 1 1 68 68 GLU H H 1 9.45 0.02 . 1 . . . . . 70 GLU H . 27189 1 281 . 1 1 68 68 GLU CA C 13 60.4 0.2 . 1 . . . . . 70 GLU CA . 27189 1 282 . 1 1 68 68 GLU CB C 13 29.4 0.2 . 1 . . . . . 70 GLU CB . 27189 1 283 . 1 1 68 68 GLU N N 15 120.8 0.2 . 1 . . . . . 70 GLU N . 27189 1 284 . 1 1 69 69 ASN H H 1 8.06 0.02 . 1 . . . . . 71 ASN H . 27189 1 285 . 1 1 69 69 ASN CA C 13 56.4 0.2 . 1 . . . . . 71 ASN CA . 27189 1 286 . 1 1 69 69 ASN CB C 13 38.3 0.2 . 1 . . . . . 71 ASN CB . 27189 1 287 . 1 1 69 69 ASN N N 15 116.6 0.2 . 1 . . . . . 71 ASN N . 27189 1 288 . 1 1 70 70 LEU H H 1 7.3 0.02 . 1 . . . . . 72 LEU H . 27189 1 289 . 1 1 70 70 LEU CA C 13 57.9 0.2 . 1 . . . . . 72 LEU CA . 27189 1 290 . 1 1 70 70 LEU CB C 13 42.9 0.2 . 1 . . . . . 72 LEU CB . 27189 1 291 . 1 1 70 70 LEU N N 15 119.1 0.2 . 1 . . . . . 72 LEU N . 27189 1 292 . 1 1 71 71 LEU H H 1 8.59 0.02 . 1 . . . . . 73 LEU H . 27189 1 293 . 1 1 71 71 LEU CA C 13 57.8 0.2 . 1 . . . . . 73 LEU CA . 27189 1 294 . 1 1 71 71 LEU CB C 13 42.8 0.2 . 1 . . . . . 73 LEU CB . 27189 1 295 . 1 1 71 71 LEU N N 15 119.1 0.2 . 1 . . . . . 73 LEU N . 27189 1 296 . 1 1 72 72 ASP H H 1 8.82 0.02 . 1 . . . . . 74 ASP H . 27189 1 297 . 1 1 72 72 ASP CA C 13 57.6 0.2 . 1 . . . . . 74 ASP CA . 27189 1 298 . 1 1 72 72 ASP CB C 13 41.5 0.2 . 1 . . . . . 74 ASP CB . 27189 1 299 . 1 1 72 72 ASP N N 15 119.8 0.2 . 1 . . . . . 74 ASP N . 27189 1 300 . 1 1 73 73 GLU H H 1 7.68 0.02 . 1 . . . . . 75 GLU H . 27189 1 301 . 1 1 73 73 GLU CA C 13 59.8 0.2 . 1 . . . . . 75 GLU CA . 27189 1 302 . 1 1 73 73 GLU CB C 13 29.5 0.2 . 1 . . . . . 75 GLU CB . 27189 1 303 . 1 1 73 73 GLU N N 15 117.0 0.2 . 1 . . . . . 75 GLU N . 27189 1 304 . 1 1 74 74 ALA H H 1 8.39 0.02 . 1 . . . . . 76 ALA H . 27189 1 305 . 1 1 74 74 ALA CA C 13 55.2 0.2 . 1 . . . . . 76 ALA CA . 27189 1 306 . 1 1 74 74 ALA CB C 13 17.6 0.2 . 1 . . . . . 76 ALA CB . 27189 1 307 . 1 1 74 74 ALA N N 15 120.6 0.2 . 1 . . . . . 76 ALA N . 27189 1 308 . 1 1 75 75 ARG H H 1 8.92 0.02 . 1 . . . . . 77 ARG H . 27189 1 309 . 1 1 75 75 ARG CA C 13 59.0 0.2 . 1 . . . . . 77 ARG CA . 27189 1 310 . 1 1 75 75 ARG CB C 13 28.8 0.2 . 1 . . . . . 77 ARG CB . 27189 1 311 . 1 1 75 75 ARG N N 15 120.0 0.2 . 1 . . . . . 77 ARG N . 27189 1 312 . 1 1 76 76 ARG H H 1 7.65 0.02 . 1 . . . . . 78 ARG H . 27189 1 313 . 1 1 76 76 ARG CA C 13 57.0 0.2 . 1 . . . . . 78 ARG CA . 27189 1 314 . 1 1 76 76 ARG CB C 13 31.3 0.2 . 1 . . . . . 78 ARG CB . 27189 1 315 . 1 1 76 76 ARG N N 15 117.0 0.2 . 1 . . . . . 78 ARG N . 27189 1 316 . 1 1 77 77 GLY H H 1 7.85 0.02 . 1 . . . . . 79 GLY H . 27189 1 317 . 1 1 77 77 GLY CA C 13 45.8 0.2 . 1 . . . . . 79 GLY CA . 27189 1 318 . 1 1 77 77 GLY N N 15 107.2 0.2 . 1 . . . . . 79 GLY N . 27189 1 319 . 1 1 78 78 GLU H H 1 8.0 0.02 . 1 . . . . . 80 GLU H . 27189 1 320 . 1 1 78 78 GLU CA C 13 56.5 0.2 . 1 . . . . . 80 GLU CA . 27189 1 321 . 1 1 78 78 GLU CB C 13 30.4 0.2 . 1 . . . . . 80 GLU CB . 27189 1 322 . 1 1 78 78 GLU N N 15 117.5 0.2 . 1 . . . . . 80 GLU N . 27189 1 323 . 1 1 79 79 MET H H 1 7.01 0.02 . 1 . . . . . 81 MET H . 27189 1 324 . 1 1 79 79 MET HA H 1 4.58 0.02 . 1 . . . . . 81 MET HA . 27189 1 325 . 1 1 79 79 MET HB2 H 1 1.68 0.02 . 2 . . . . . 81 MET HB1 . 27189 1 326 . 1 1 79 79 MET HB3 H 1 1.94 0.02 . 2 . . . . . 81 MET HB2 . 27189 1 327 . 1 1 79 79 MET HG2 H 1 2.34 0.02 . 2 . . . . . 81 MET HG1 . 27189 1 328 . 1 1 79 79 MET HG3 H 1 2.48 0.02 . 2 . . . . . 81 MET HG2 . 27189 1 329 . 1 1 79 79 MET HE1 H 1 2.14 0.02 . 1 . . . . . 81 MET HE . 27189 1 330 . 1 1 79 79 MET HE2 H 1 2.14 0.02 . 1 . . . . . 81 MET HE . 27189 1 331 . 1 1 79 79 MET HE3 H 1 2.14 0.02 . 1 . . . . . 81 MET HE . 27189 1 332 . 1 1 79 79 MET CA C 13 54.7 0.2 . 1 . . . . . 81 MET CA . 27189 1 333 . 1 1 79 79 MET CB C 13 36.3 0.2 . 1 . . . . . 81 MET CB . 27189 1 334 . 1 1 79 79 MET CG C 13 31.2 0.2 . 1 . . . . . 81 MET CG . 27189 1 335 . 1 1 79 79 MET CE C 13 17.9 0.2 . 1 . . . . . 81 MET CE . 27189 1 336 . 1 1 79 79 MET N N 15 116.7 0.2 . 1 . . . . . 81 MET N . 27189 1 337 . 1 1 80 80 GLN H H 1 8.67 0.02 . 1 . . . . . 82 GLN H . 27189 1 338 . 1 1 80 80 GLN CA C 13 55.2 0.2 . 1 . . . . . 82 GLN CA . 27189 1 339 . 1 1 80 80 GLN CB C 13 29.4 0.2 . 1 . . . . . 82 GLN CB . 27189 1 340 . 1 1 80 80 GLN N N 15 125.6 0.2 . 1 . . . . . 82 GLN N . 27189 1 341 . 1 1 81 81 LEU H H 1 8.93 0.02 . 1 . . . . . 83 LEU H . 27189 1 342 . 1 1 81 81 LEU CA C 13 54.1 0.2 . 1 . . . . . 83 LEU CA . 27189 1 343 . 1 1 81 81 LEU CB C 13 43.4 0.2 . 1 . . . . . 83 LEU CB . 27189 1 344 . 1 1 81 81 LEU N N 15 121.6 0.2 . 1 . . . . . 83 LEU N . 27189 1 345 . 1 1 82 82 ASN H H 1 6.71 0.02 . 1 . . . . . 84 ASN H . 27189 1 346 . 1 1 82 82 ASN CA C 13 52.0 0.2 . 1 . . . . . 84 ASN CA . 27189 1 347 . 1 1 82 82 ASN CB C 13 39.9 0.2 . 1 . . . . . 84 ASN CB . 27189 1 348 . 1 1 82 82 ASN N N 15 111.4 0.2 . 1 . . . . . 84 ASN N . 27189 1 349 . 1 1 83 83 THR H H 1 8.79 0.02 . 1 . . . . . 85 THR H . 27189 1 350 . 1 1 83 83 THR N N 15 114.2 0.2 . 1 . . . . . 85 THR N . 27189 1 351 . 1 1 84 84 ASP H H 1 7.97 0.02 . 1 . . . . . 86 ASP H . 27189 1 352 . 1 1 84 84 ASP CA C 13 58.1 0.2 . 1 . . . . . 86 ASP CA . 27189 1 353 . 1 1 84 84 ASP CB C 13 40.0 0.2 . 1 . . . . . 86 ASP CB . 27189 1 354 . 1 1 84 84 ASP N N 15 121.8 0.2 . 1 . . . . . 86 ASP N . 27189 1 355 . 1 1 85 85 ILE H H 1 8.38 0.02 . 1 . . . . . 87 ILE H . 27189 1 356 . 1 1 85 85 ILE CA C 13 65.6 0.2 . 1 . . . . . 87 ILE CA . 27189 1 357 . 1 1 85 85 ILE CB C 13 38.8 0.2 . 1 . . . . . 87 ILE CB . 27189 1 358 . 1 1 85 85 ILE N N 15 122.0 0.2 . 1 . . . . . 87 ILE N . 27189 1 359 . 1 1 86 86 ILE H H 1 7.77 0.02 . 1 . . . . . 88 ILE H . 27189 1 360 . 1 1 86 86 ILE CA C 13 65.8 0.2 . 1 . . . . . 88 ILE CA . 27189 1 361 . 1 1 86 86 ILE CB C 13 36.5 0.2 . 1 . . . . . 88 ILE CB . 27189 1 362 . 1 1 86 86 ILE N N 15 119.2 0.2 . 1 . . . . . 88 ILE N . 27189 1 363 . 1 1 87 87 ASN H H 1 8.46 0.02 . 1 . . . . . 89 ASN H . 27189 1 364 . 1 1 87 87 ASN CA C 13 56.2 0.2 . 1 . . . . . 89 ASN CA . 27189 1 365 . 1 1 87 87 ASN CB C 13 37.2 0.2 . 1 . . . . . 89 ASN CB . 27189 1 366 . 1 1 87 87 ASN N N 15 117.9 0.2 . 1 . . . . . 89 ASN N . 27189 1 367 . 1 1 88 88 LEU H H 1 7.97 0.02 . 1 . . . . . 90 LEU H . 27189 1 368 . 1 1 88 88 LEU CA C 13 57.9 0.2 . 1 . . . . . 90 LEU CA . 27189 1 369 . 1 1 88 88 LEU CB C 13 41.2 0.2 . 1 . . . . . 90 LEU CB . 27189 1 370 . 1 1 88 88 LEU N N 15 124.0 0.2 . 1 . . . . . 90 LEU N . 27189 1 371 . 1 1 89 89 PHE H H 1 8.88 0.02 . 1 . . . . . 91 PHE H . 27189 1 372 . 1 1 89 89 PHE CA C 13 58.0 0.2 . 1 . . . . . 91 PHE CA . 27189 1 373 . 1 1 89 89 PHE CB C 13 37.3 0.2 . 1 . . . . . 91 PHE CB . 27189 1 374 . 1 1 89 89 PHE N N 15 123.1 0.2 . 1 . . . . . 91 PHE N . 27189 1 375 . 1 1 90 90 LEU H H 1 8.78 0.02 . 1 . . . . . 92 LEU H . 27189 1 376 . 1 1 90 90 LEU CA C 13 58.9 0.2 . 1 . . . . . 92 LEU CA . 27189 1 377 . 1 1 90 90 LEU CB C 13 41.5 0.2 . 1 . . . . . 92 LEU CB . 27189 1 378 . 1 1 90 90 LEU N N 15 122.4 0.2 . 1 . . . . . 92 LEU N . 27189 1 379 . 1 1 91 91 GLU H H 1 8.43 0.02 . 1 . . . . . 93 GLU H . 27189 1 380 . 1 1 91 91 GLU CA C 13 60.0 0.2 . 1 . . . . . 93 GLU CA . 27189 1 381 . 1 1 91 91 GLU CB C 13 29.9 0.2 . 1 . . . . . 93 GLU CB . 27189 1 382 . 1 1 91 91 GLU N N 15 121.1 0.2 . 1 . . . . . 93 GLU N . 27189 1 383 . 1 1 92 92 THR H H 1 8.67 0.02 . 1 . . . . . 94 THR H . 27189 1 384 . 1 1 92 92 THR CA C 13 68.3 0.2 . 1 . . . . . 94 THR CA . 27189 1 385 . 1 1 92 92 THR N N 15 117.1 0.2 . 1 . . . . . 94 THR N . 27189 1 386 . 1 1 93 93 LYS H H 1 8.38 0.02 . 1 . . . . . 95 LYS H . 27189 1 387 . 1 1 93 93 LYS CA C 13 60.6 0.2 . 1 . . . . . 95 LYS CA . 27189 1 388 . 1 1 93 93 LYS CB C 13 29.6 0.2 . 1 . . . . . 95 LYS CB . 27189 1 389 . 1 1 93 93 LYS N N 15 123.4 0.2 . 1 . . . . . 95 LYS N . 27189 1 390 . 1 1 94 94 ASP H H 1 8.02 0.02 . 1 . . . . . 96 ASP H . 27189 1 391 . 1 1 94 94 ASP CA C 13 58.0 0.2 . 1 . . . . . 96 ASP CA . 27189 1 392 . 1 1 94 94 ASP CB C 13 39.9 0.2 . 1 . . . . . 96 ASP CB . 27189 1 393 . 1 1 94 94 ASP N N 15 120.7 0.2 . 1 . . . . . 96 ASP N . 27189 1 394 . 1 1 95 95 ILE H H 1 8.37 0.02 . 1 . . . . . 97 ILE H . 27189 1 395 . 1 1 95 95 ILE CA C 13 65.6 0.2 . 1 . . . . . 97 ILE CA . 27189 1 396 . 1 1 95 95 ILE CB C 13 38.3 0.2 . 1 . . . . . 97 ILE CB . 27189 1 397 . 1 1 95 95 ILE N N 15 123.5 0.2 . 1 . . . . . 97 ILE N . 27189 1 398 . 1 1 96 96 MET H H 1 9.25 0.02 . 1 . . . . . 98 MET H . 27189 1 399 . 1 1 96 96 MET HA H 1 4.1 0.02 . 1 . . . . . 98 MET HA . 27189 1 400 . 1 1 96 96 MET HB2 H 1 1.97 0.02 . 2 . . . . . 98 MET HB1 . 27189 1 401 . 1 1 96 96 MET HB3 H 1 1.97 0.02 . 2 . . . . . 98 MET HB2 . 27189 1 402 . 1 1 96 96 MET HG2 H 1 2.8 0.02 . 2 . . . . . 98 MET HG1 . 27189 1 403 . 1 1 96 96 MET HG3 H 1 2.8 0.02 . 2 . . . . . 98 MET HG2 . 27189 1 404 . 1 1 96 96 MET HE1 H 1 2.09 0.02 . 1 . . . . . 98 MET HE . 27189 1 405 . 1 1 96 96 MET HE2 H 1 2.09 0.02 . 1 . . . . . 98 MET HE . 27189 1 406 . 1 1 96 96 MET HE3 H 1 2.09 0.02 . 1 . . . . . 98 MET HE . 27189 1 407 . 1 1 96 96 MET CA C 13 59.7 0.2 . 1 . . . . . 98 MET CA . 27189 1 408 . 1 1 96 96 MET CB C 13 34.7 0.2 . 1 . . . . . 98 MET CB . 27189 1 409 . 1 1 96 96 MET CG C 13 31.8 0.2 . 1 . . . . . 98 MET CG . 27189 1 410 . 1 1 96 96 MET CE C 13 16.6 0.2 . 1 . . . . . 98 MET CE . 27189 1 411 . 1 1 96 96 MET N N 15 121.8 0.2 . 1 . . . . . 98 MET N . 27189 1 412 . 1 1 97 97 GLN H H 1 8.4 0.02 . 1 . . . . . 99 GLN H . 27189 1 413 . 1 1 97 97 GLN CA C 13 60.1 0.2 . 1 . . . . . 99 GLN CA . 27189 1 414 . 1 1 97 97 GLN CB C 13 29.2 0.2 . 1 . . . . . 99 GLN CB . 27189 1 415 . 1 1 97 97 GLN N N 15 118.7 0.2 . 1 . . . . . 99 GLN N . 27189 1 416 . 1 1 98 98 GLU H H 1 7.85 0.02 . 1 . . . . . 100 GLU H . 27189 1 417 . 1 1 98 98 GLU CA C 13 59.8 0.2 . 1 . . . . . 100 GLU CA . 27189 1 418 . 1 1 98 98 GLU CB C 13 29.2 0.2 . 1 . . . . . 100 GLU CB . 27189 1 419 . 1 1 98 98 GLU N N 15 119.1 0.2 . 1 . . . . . 100 GLU N . 27189 1 420 . 1 1 99 99 GLN H H 1 8.62 0.02 . 1 . . . . . 101 GLN H . 27189 1 421 . 1 1 99 99 GLN CA C 13 59.5 0.2 . 1 . . . . . 101 GLN CA . 27189 1 422 . 1 1 99 99 GLN CB C 13 27.4 0.2 . 1 . . . . . 101 GLN CB . 27189 1 423 . 1 1 99 99 GLN N N 15 121.4 0.2 . 1 . . . . . 101 GLN N . 27189 1 424 . 1 1 100 100 LEU H H 1 8.6 0.02 . 1 . . . . . 102 LEU H . 27189 1 425 . 1 1 100 100 LEU CA C 13 58.7 0.2 . 1 . . . . . 102 LEU CA . 27189 1 426 . 1 1 100 100 LEU CB C 13 42.7 0.2 . 1 . . . . . 102 LEU CB . 27189 1 427 . 1 1 100 100 LEU N N 15 119.1 0.2 . 1 . . . . . 102 LEU N . 27189 1 428 . 1 1 101 101 ASP H H 1 8.63 0.02 . 1 . . . . . 103 ASP H . 27189 1 429 . 1 1 101 101 ASP CA C 13 57.4 0.2 . 1 . . . . . 103 ASP CA . 27189 1 430 . 1 1 101 101 ASP CB C 13 39.7 0.2 . 1 . . . . . 103 ASP CB . 27189 1 431 . 1 1 101 101 ASP N N 15 117.8 0.2 . 1 . . . . . 103 ASP N . 27189 1 432 . 1 1 102 102 ALA H H 1 7.73 0.02 . 1 . . . . . 104 ALA H . 27189 1 433 . 1 1 102 102 ALA CA C 13 55.4 0.2 . 1 . . . . . 104 ALA CA . 27189 1 434 . 1 1 102 102 ALA CB C 13 16.3 0.2 . 1 . . . . . 104 ALA CB . 27189 1 435 . 1 1 102 102 ALA N N 15 124.0 0.2 . 1 . . . . . 104 ALA N . 27189 1 436 . 1 1 103 103 TYR H H 1 7.86 0.02 . 1 . . . . . 105 TYR H . 27189 1 437 . 1 1 103 103 TYR CA C 13 61.5 0.2 . 1 . . . . . 105 TYR CA . 27189 1 438 . 1 1 103 103 TYR CB C 13 37.0 0.2 . 1 . . . . . 105 TYR CB . 27189 1 439 . 1 1 103 103 TYR N N 15 118.6 0.2 . 1 . . . . . 105 TYR N . 27189 1 440 . 1 1 104 104 LYS H H 1 8.42 0.02 . 1 . . . . . 106 LYS H . 27189 1 441 . 1 1 104 104 LYS CA C 13 59.9 0.2 . 1 . . . . . 106 LYS CA . 27189 1 442 . 1 1 104 104 LYS CB C 13 33.1 0.2 . 1 . . . . . 106 LYS CB . 27189 1 443 . 1 1 104 104 LYS N N 15 120.3 0.2 . 1 . . . . . 106 LYS N . 27189 1 444 . 1 1 105 105 GLN H H 1 7.27 0.02 . 1 . . . . . 107 GLN H . 27189 1 445 . 1 1 105 105 GLN CA C 13 54.6 0.2 . 1 . . . . . 107 GLN CA . 27189 1 446 . 1 1 105 105 GLN CB C 13 29.4 0.2 . 1 . . . . . 107 GLN CB . 27189 1 447 . 1 1 105 105 GLN N N 15 115.3 0.2 . 1 . . . . . 107 GLN N . 27189 1 448 . 1 1 106 106 SER H H 1 8.17 0.02 . 1 . . . . . 108 SER H . 27189 1 449 . 1 1 106 106 SER CA C 13 59.4 0.2 . 1 . . . . . 108 SER CA . 27189 1 450 . 1 1 106 106 SER CB C 13 61.6 0.2 . 1 . . . . . 108 SER CB . 27189 1 451 . 1 1 106 106 SER N N 15 112.7 0.2 . 1 . . . . . 108 SER N . 27189 1 452 . 1 1 107 107 GLN H H 1 8.18 0.02 . 1 . . . . . 109 GLN H . 27189 1 453 . 1 1 107 107 GLN CA C 13 53.2 0.2 . 1 . . . . . 109 GLN CA . 27189 1 454 . 1 1 107 107 GLN CB C 13 30.9 0.2 . 1 . . . . . 109 GLN CB . 27189 1 455 . 1 1 107 107 GLN N N 15 117.5 0.2 . 1 . . . . . 109 GLN N . 27189 1 456 . 1 1 108 108 GLU H H 1 8.31 0.02 . 1 . . . . . 110 GLU H . 27189 1 457 . 1 1 108 108 GLU CA C 13 53.5 0.2 . 1 . . . . . 110 GLU CA . 27189 1 458 . 1 1 108 108 GLU CB C 13 30.1 0.2 . 1 . . . . . 110 GLU CB . 27189 1 459 . 1 1 108 108 GLU N N 15 120.0 0.2 . 1 . . . . . 110 GLU N . 27189 1 460 . 1 1 110 110 ASP H H 1 8.94 0.02 . 1 . . . . . 112 ASP H . 27189 1 461 . 1 1 110 110 ASP CA C 13 55.4 0.2 . 1 . . . . . 112 ASP CA . 27189 1 462 . 1 1 110 110 ASP CB C 13 42.8 0.2 . 1 . . . . . 112 ASP CB . 27189 1 463 . 1 1 110 110 ASP N N 15 121.5 0.2 . 1 . . . . . 112 ASP N . 27189 1 464 . 1 1 111 111 ALA H H 1 8.85 0.02 . 1 . . . . . 113 ALA H . 27189 1 465 . 1 1 111 111 ALA CA C 13 55.4 0.2 . 1 . . . . . 113 ALA CA . 27189 1 466 . 1 1 111 111 ALA CB C 13 18.9 0.2 . 1 . . . . . 113 ALA CB . 27189 1 467 . 1 1 111 111 ALA N N 15 132.1 0.2 . 1 . . . . . 113 ALA N . 27189 1 468 . 1 1 112 112 ALA H H 1 8.33 0.02 . 1 . . . . . 114 ALA H . 27189 1 469 . 1 1 112 112 ALA CA C 13 55.5 0.2 . 1 . . . . . 114 ALA CA . 27189 1 470 . 1 1 112 112 ALA CB C 13 17.8 0.2 . 1 . . . . . 114 ALA CB . 27189 1 471 . 1 1 112 112 ALA N N 15 121.0 0.2 . 1 . . . . . 114 ALA N . 27189 1 472 . 1 1 113 113 SER H H 1 8.41 0.02 . 1 . . . . . 115 SER H . 27189 1 473 . 1 1 113 113 SER CA C 13 61.9 0.2 . 1 . . . . . 115 SER CA . 27189 1 474 . 1 1 113 113 SER CB C 13 63.1 0.2 . 1 . . . . . 115 SER CB . 27189 1 475 . 1 1 113 113 SER N N 15 115.8 0.2 . 1 . . . . . 115 SER N . 27189 1 476 . 1 1 114 114 PHE H H 1 7.3 0.02 . 1 . . . . . 116 PHE H . 27189 1 477 . 1 1 114 114 PHE CA C 13 59.3 0.2 . 1 . . . . . 116 PHE CA . 27189 1 478 . 1 1 114 114 PHE CB C 13 38.9 0.2 . 1 . . . . . 116 PHE CB . 27189 1 479 . 1 1 114 114 PHE N N 15 122.3 0.2 . 1 . . . . . 116 PHE N . 27189 1 480 . 1 1 115 115 ASP H H 1 8.42 0.02 . 1 . . . . . 117 ASP H . 27189 1 481 . 1 1 115 115 ASP CA C 13 57.8 0.2 . 1 . . . . . 117 ASP CA . 27189 1 482 . 1 1 115 115 ASP CB C 13 40.9 0.2 . 1 . . . . . 117 ASP CB . 27189 1 483 . 1 1 115 115 ASP N N 15 120.2 0.2 . 1 . . . . . 117 ASP N . 27189 1 484 . 1 1 116 116 TYR H H 1 8.02 0.02 . 1 . . . . . 118 TYR H . 27189 1 485 . 1 1 116 116 TYR CA C 13 60.4 0.2 . 1 . . . . . 118 TYR CA . 27189 1 486 . 1 1 116 116 TYR CB C 13 38.0 0.2 . 1 . . . . . 118 TYR CB . 27189 1 487 . 1 1 116 116 TYR N N 15 118.3 0.2 . 1 . . . . . 118 TYR N . 27189 1 488 . 1 1 117 117 ILE H H 1 8.43 0.02 . 1 . . . . . 119 ILE H . 27189 1 489 . 1 1 117 117 ILE CA C 13 60.1 0.2 . 1 . . . . . 119 ILE CA . 27189 1 490 . 1 1 117 117 ILE CB C 13 38.5 0.2 . 1 . . . . . 119 ILE CB . 27189 1 491 . 1 1 117 117 ILE N N 15 121.9 0.2 . 1 . . . . . 119 ILE N . 27189 1 492 . 1 1 118 118 CYS H H 1 8.14 0.02 . 1 . . . . . 120 CYS H . 27189 1 493 . 1 1 118 118 CYS CA C 13 64.4 0.2 . 1 . . . . . 120 CYS CA . 27189 1 494 . 1 1 118 118 CYS CB C 13 26.4 0.2 . 1 . . . . . 120 CYS CB . 27189 1 495 . 1 1 118 118 CYS N N 15 120.6 0.2 . 1 . . . . . 120 CYS N . 27189 1 496 . 1 1 119 119 GLN H H 1 7.65 0.02 . 1 . . . . . 121 GLN H . 27189 1 497 . 1 1 119 119 GLN CA C 13 59.3 0.2 . 1 . . . . . 121 GLN CA . 27189 1 498 . 1 1 119 119 GLN CB C 13 27.7 0.2 . 1 . . . . . 121 GLN CB . 27189 1 499 . 1 1 119 119 GLN N N 15 117.7 0.2 . 1 . . . . . 121 GLN N . 27189 1 500 . 1 1 120 120 ALA H H 1 7.77 0.02 . 1 . . . . . 122 ALA H . 27189 1 501 . 1 1 120 120 ALA CA C 13 55.3 0.2 . 1 . . . . . 122 ALA CA . 27189 1 502 . 1 1 120 120 ALA CB C 13 18.0 0.2 . 1 . . . . . 122 ALA CB . 27189 1 503 . 1 1 120 120 ALA N N 15 122.0 0.2 . 1 . . . . . 122 ALA N . 27189 1 504 . 1 1 121 121 LEU H H 1 8.56 0.02 . 1 . . . . . 123 LEU H . 27189 1 505 . 1 1 121 121 LEU CA C 13 58.0 0.2 . 1 . . . . . 123 LEU CA . 27189 1 506 . 1 1 121 121 LEU CB C 13 42.5 0.2 . 1 . . . . . 123 LEU CB . 27189 1 507 . 1 1 121 121 LEU N N 15 117.9 0.2 . 1 . . . . . 123 LEU N . 27189 1 508 . 1 1 122 122 ARG H H 1 8.41 0.02 . 1 . . . . . 124 ARG H . 27189 1 509 . 1 1 122 122 ARG CA C 13 60.2 0.2 . 1 . . . . . 124 ARG CA . 27189 1 510 . 1 1 122 122 ARG CB C 13 30.3 0.2 . 1 . . . . . 124 ARG CB . 27189 1 511 . 1 1 122 122 ARG N N 15 119.2 0.2 . 1 . . . . . 124 ARG N . 27189 1 512 . 1 1 123 123 GLN H H 1 8.13 0.02 . 1 . . . . . 125 GLN H . 27189 1 513 . 1 1 123 123 GLN CA C 13 58.6 0.2 . 1 . . . . . 125 GLN CA . 27189 1 514 . 1 1 123 123 GLN CB C 13 27.7 0.2 . 1 . . . . . 125 GLN CB . 27189 1 515 . 1 1 123 123 GLN N N 15 118.8 0.2 . 1 . . . . . 125 GLN N . 27189 1 516 . 1 1 124 124 LEU H H 1 7.55 0.02 . 1 . . . . . 126 LEU H . 27189 1 517 . 1 1 124 124 LEU CA C 13 57.5 0.2 . 1 . . . . . 126 LEU CA . 27189 1 518 . 1 1 124 124 LEU CB C 13 41.6 0.2 . 1 . . . . . 126 LEU CB . 27189 1 519 . 1 1 124 124 LEU N N 15 118.7 0.2 . 1 . . . . . 126 LEU N . 27189 1 520 . 1 1 125 125 ALA H H 1 7.57 0.02 . 1 . . . . . 127 ALA H . 27189 1 521 . 1 1 125 125 ALA CA C 13 54.4 0.2 . 1 . . . . . 127 ALA CA . 27189 1 522 . 1 1 125 125 ALA CB C 13 18.3 0.2 . 1 . . . . . 127 ALA CB . 27189 1 523 . 1 1 125 125 ALA N N 15 119.8 0.2 . 1 . . . . . 127 ALA N . 27189 1 524 . 1 1 126 126 LEU H H 1 7.8 0.02 . 1 . . . . . 128 LEU H . 27189 1 525 . 1 1 126 126 LEU CA C 13 57.3 0.2 . 1 . . . . . 128 LEU CA . 27189 1 526 . 1 1 126 126 LEU CB C 13 42.1 0.2 . 1 . . . . . 128 LEU CB . 27189 1 527 . 1 1 126 126 LEU N N 15 118.4 0.2 . 1 . . . . . 128 LEU N . 27189 1 528 . 1 1 127 127 GLU H H 1 8.17 0.02 . 1 . . . . . 129 GLU H . 27189 1 529 . 1 1 127 127 GLU CA C 13 58.2 0.2 . 1 . . . . . 129 GLU CA . 27189 1 530 . 1 1 127 127 GLU CB C 13 29.7 0.2 . 1 . . . . . 129 GLU CB . 27189 1 531 . 1 1 127 127 GLU N N 15 119.8 0.2 . 1 . . . . . 129 GLU N . 27189 1 532 . 1 1 128 128 ALA H H 1 8.24 0.02 . 1 . . . . . 130 ALA H . 27189 1 533 . 1 1 128 128 ALA CA C 13 53.7 0.2 . 1 . . . . . 130 ALA CA . 27189 1 534 . 1 1 128 128 ALA CB C 13 18.7 0.2 . 1 . . . . . 130 ALA CB . 27189 1 535 . 1 1 128 128 ALA N N 15 122.3 0.2 . 1 . . . . . 130 ALA N . 27189 1 536 . 1 1 129 129 LYS H H 1 7.78 0.02 . 1 . . . . . 131 LYS H . 27189 1 537 . 1 1 129 129 LYS CA C 13 56.4 0.2 . 1 . . . . . 131 LYS CA . 27189 1 538 . 1 1 129 129 LYS CB C 13 33.0 0.2 . 1 . . . . . 131 LYS CB . 27189 1 539 . 1 1 129 129 LYS N N 15 117.3 0.2 . 1 . . . . . 131 LYS N . 27189 1 540 . 1 1 130 130 GLY H H 1 8.09 0.02 . 1 . . . . . 132 GLY H . 27189 1 541 . 1 1 130 130 GLY CA C 13 45.5 0.2 . 1 . . . . . 132 GLY CA . 27189 1 542 . 1 1 130 130 GLY N N 15 108.5 0.2 . 1 . . . . . 132 GLY N . 27189 1 543 . 1 1 131 131 GLU H H 1 8.27 0.02 . 1 . . . . . 133 GLU H . 27189 1 544 . 1 1 131 131 GLU CA C 13 56.4 0.2 . 1 . . . . . 133 GLU CA . 27189 1 545 . 1 1 131 131 GLU CB C 13 30.6 0.2 . 1 . . . . . 133 GLU CB . 27189 1 546 . 1 1 131 131 GLU N N 15 120.4 0.2 . 1 . . . . . 133 GLU N . 27189 1 547 . 1 1 132 132 THR H H 1 7.81 0.02 . 1 . . . . . 134 THR H . 27189 1 548 . 1 1 132 132 THR CA C 13 63.2 0.2 . 1 . . . . . 134 THR CA . 27189 1 549 . 1 1 132 132 THR CB C 13 70.9 0.2 . 1 . . . . . 134 THR CB . 27189 1 550 . 1 1 132 132 THR N N 15 119.5 0.2 . 1 . . . . . 134 THR N . 27189 1 stop_ save_