data_27195 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27195 _Entry.Title ; NMR Chemical Shift Assignments of Frataxin protein from Chaetomium thermophilum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-31 _Entry.Accession_date 2017-07-31 _Entry.Last_release_date 2017-07-31 _Entry.Original_release_date 2017-07-31 _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 ; Frataxin is the protein responsible for the genetically-inherited neurodegenerative disease Friedreich s ataxia (FRDA) caused by partial silencing of the protein and loss of function. Although the frataxin function is not yet entirely clear, it has been associated to the machine that builds iron sulfur-clusters, essential prosthetic groups involved in several processes and is strongly conserved in organisms from bacteria to humans. ; _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 Masooma Rasheed . Dr. . . 27195 2 Robert Yan . Dr. . . 27195 3 Geoff Kelly . Dr. . . 27195 4 Annalisa Pastore . Professor . . 27195 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27195 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 262 27195 '15N chemical shifts' 119 27195 '1H chemical shifts' 119 27195 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-04-06 2017-07-31 update BMRB 'update entry citation' 27195 1 . . 2017-11-16 2017-07-31 original author 'original release' 27195 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27195 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-017-9790-3 _Citation.PubMed_ID 29090418 _Citation.Full_citation . _Citation.Title ; Chemical shift assignment of a thermophile frataxin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 113 _Citation.Page_last 116 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Masooma Rasheed M. . . . 27195 1 2 Robert Yan R. . . . 27195 1 3 Geoff Kelly G. . . . 27195 1 4 Annalisa Pastore A. . . . 27195 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27195 _Assembly.ID 1 _Assembly.Name Ct-Frataxin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 14310 _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 Frataxin 1 $Ct-Frataxin A . yes native no no . . . 27195 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ct-Frataxin _Entity.Sf_category entity _Entity.Sf_framecode Ct-Frataxin _Entity.Entry_ID 27195 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ct-Frataxin _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 ; MADITTAEYHRLADEYLDAL LSRLEELQDEREDVDVEYQS GVLTLNMGPEVGTYVINKQP PNKQIWLSSPKSGPKRYDYV ITGEGQNEKQDTAVGEWVYL RDGSTLNQLLLEEIGVDLNV PVSQD ; _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 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation None _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14310 _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 1 MET . 27195 1 2 2 ALA . 27195 1 3 3 ASP . 27195 1 4 4 ILE . 27195 1 5 5 THR . 27195 1 6 6 THR . 27195 1 7 7 ALA . 27195 1 8 8 GLU . 27195 1 9 9 TYR . 27195 1 10 10 HIS . 27195 1 11 11 ARG . 27195 1 12 12 LEU . 27195 1 13 13 ALA . 27195 1 14 14 ASP . 27195 1 15 15 GLU . 27195 1 16 16 TYR . 27195 1 17 17 LEU . 27195 1 18 18 ASP . 27195 1 19 19 ALA . 27195 1 20 20 LEU . 27195 1 21 21 LEU . 27195 1 22 22 SER . 27195 1 23 23 ARG . 27195 1 24 24 LEU . 27195 1 25 25 GLU . 27195 1 26 26 GLU . 27195 1 27 27 LEU . 27195 1 28 28 GLN . 27195 1 29 29 ASP . 27195 1 30 30 GLU . 27195 1 31 31 ARG . 27195 1 32 32 GLU . 27195 1 33 33 ASP . 27195 1 34 34 VAL . 27195 1 35 35 ASP . 27195 1 36 36 VAL . 27195 1 37 37 GLU . 27195 1 38 38 TYR . 27195 1 39 39 GLN . 27195 1 40 40 SER . 27195 1 41 41 GLY . 27195 1 42 42 VAL . 27195 1 43 43 LEU . 27195 1 44 44 THR . 27195 1 45 45 LEU . 27195 1 46 46 ASN . 27195 1 47 47 MET . 27195 1 48 48 GLY . 27195 1 49 49 PRO . 27195 1 50 50 GLU . 27195 1 51 51 VAL . 27195 1 52 52 GLY . 27195 1 53 53 THR . 27195 1 54 54 TYR . 27195 1 55 55 VAL . 27195 1 56 56 ILE . 27195 1 57 57 ASN . 27195 1 58 58 LYS . 27195 1 59 59 GLN . 27195 1 60 60 PRO . 27195 1 61 61 PRO . 27195 1 62 62 ASN . 27195 1 63 63 LYS . 27195 1 64 64 GLN . 27195 1 65 65 ILE . 27195 1 66 66 TRP . 27195 1 67 67 LEU . 27195 1 68 68 SER . 27195 1 69 69 SER . 27195 1 70 70 PRO . 27195 1 71 71 LYS . 27195 1 72 72 SER . 27195 1 73 73 GLY . 27195 1 74 74 PRO . 27195 1 75 75 LYS . 27195 1 76 76 ARG . 27195 1 77 77 TYR . 27195 1 78 78 ASP . 27195 1 79 79 TYR . 27195 1 80 80 VAL . 27195 1 81 81 ILE . 27195 1 82 82 THR . 27195 1 83 83 GLY . 27195 1 84 84 GLU . 27195 1 85 85 GLY . 27195 1 86 86 GLN . 27195 1 87 87 ASN . 27195 1 88 88 GLU . 27195 1 89 89 LYS . 27195 1 90 90 GLN . 27195 1 91 91 ASP . 27195 1 92 92 THR . 27195 1 93 93 ALA . 27195 1 94 94 VAL . 27195 1 95 95 GLY . 27195 1 96 96 GLU . 27195 1 97 97 TRP . 27195 1 98 98 VAL . 27195 1 99 99 TYR . 27195 1 100 100 LEU . 27195 1 101 101 ARG . 27195 1 102 102 ASP . 27195 1 103 103 GLY . 27195 1 104 104 SER . 27195 1 105 105 THR . 27195 1 106 106 LEU . 27195 1 107 107 ASN . 27195 1 108 108 GLN . 27195 1 109 109 LEU . 27195 1 110 110 LEU . 27195 1 111 111 LEU . 27195 1 112 112 GLU . 27195 1 113 113 GLU . 27195 1 114 114 ILE . 27195 1 115 115 GLY . 27195 1 116 116 VAL . 27195 1 117 117 ASP . 27195 1 118 118 LEU . 27195 1 119 119 ASN . 27195 1 120 120 VAL . 27195 1 121 121 PRO . 27195 1 122 122 VAL . 27195 1 123 123 SER . 27195 1 124 124 GLN . 27195 1 125 125 ASP . 27195 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 27195 1 . ALA 2 2 27195 1 . ASP 3 3 27195 1 . ILE 4 4 27195 1 . THR 5 5 27195 1 . THR 6 6 27195 1 . ALA 7 7 27195 1 . GLU 8 8 27195 1 . TYR 9 9 27195 1 . HIS 10 10 27195 1 . ARG 11 11 27195 1 . LEU 12 12 27195 1 . ALA 13 13 27195 1 . ASP 14 14 27195 1 . GLU 15 15 27195 1 . TYR 16 16 27195 1 . LEU 17 17 27195 1 . ASP 18 18 27195 1 . ALA 19 19 27195 1 . LEU 20 20 27195 1 . LEU 21 21 27195 1 . SER 22 22 27195 1 . ARG 23 23 27195 1 . LEU 24 24 27195 1 . GLU 25 25 27195 1 . GLU 26 26 27195 1 . LEU 27 27 27195 1 . GLN 28 28 27195 1 . ASP 29 29 27195 1 . GLU 30 30 27195 1 . ARG 31 31 27195 1 . GLU 32 32 27195 1 . ASP 33 33 27195 1 . VAL 34 34 27195 1 . ASP 35 35 27195 1 . VAL 36 36 27195 1 . GLU 37 37 27195 1 . TYR 38 38 27195 1 . GLN 39 39 27195 1 . SER 40 40 27195 1 . GLY 41 41 27195 1 . VAL 42 42 27195 1 . LEU 43 43 27195 1 . THR 44 44 27195 1 . LEU 45 45 27195 1 . ASN 46 46 27195 1 . MET 47 47 27195 1 . GLY 48 48 27195 1 . PRO 49 49 27195 1 . GLU 50 50 27195 1 . VAL 51 51 27195 1 . GLY 52 52 27195 1 . THR 53 53 27195 1 . TYR 54 54 27195 1 . VAL 55 55 27195 1 . ILE 56 56 27195 1 . ASN 57 57 27195 1 . LYS 58 58 27195 1 . GLN 59 59 27195 1 . PRO 60 60 27195 1 . PRO 61 61 27195 1 . ASN 62 62 27195 1 . LYS 63 63 27195 1 . GLN 64 64 27195 1 . ILE 65 65 27195 1 . TRP 66 66 27195 1 . LEU 67 67 27195 1 . SER 68 68 27195 1 . SER 69 69 27195 1 . PRO 70 70 27195 1 . LYS 71 71 27195 1 . SER 72 72 27195 1 . GLY 73 73 27195 1 . PRO 74 74 27195 1 . LYS 75 75 27195 1 . ARG 76 76 27195 1 . TYR 77 77 27195 1 . ASP 78 78 27195 1 . TYR 79 79 27195 1 . VAL 80 80 27195 1 . ILE 81 81 27195 1 . THR 82 82 27195 1 . GLY 83 83 27195 1 . GLU 84 84 27195 1 . GLY 85 85 27195 1 . GLN 86 86 27195 1 . ASN 87 87 27195 1 . GLU 88 88 27195 1 . LYS 89 89 27195 1 . GLN 90 90 27195 1 . ASP 91 91 27195 1 . THR 92 92 27195 1 . ALA 93 93 27195 1 . VAL 94 94 27195 1 . GLY 95 95 27195 1 . GLU 96 96 27195 1 . TRP 97 97 27195 1 . VAL 98 98 27195 1 . TYR 99 99 27195 1 . LEU 100 100 27195 1 . ARG 101 101 27195 1 . ASP 102 102 27195 1 . GLY 103 103 27195 1 . SER 104 104 27195 1 . THR 105 105 27195 1 . LEU 106 106 27195 1 . ASN 107 107 27195 1 . GLN 108 108 27195 1 . LEU 109 109 27195 1 . LEU 110 110 27195 1 . LEU 111 111 27195 1 . GLU 112 112 27195 1 . GLU 113 113 27195 1 . ILE 114 114 27195 1 . GLY 115 115 27195 1 . VAL 116 116 27195 1 . ASP 117 117 27195 1 . LEU 118 118 27195 1 . ASN 119 119 27195 1 . VAL 120 120 27195 1 . PRO 121 121 27195 1 . VAL 122 122 27195 1 . SER 123 123 27195 1 . GLN 124 124 27195 1 . ASP 125 125 27195 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 27195 _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 $Ct-Frataxin . 209285 organism . 'Chaetomium thermophilum' 'Chaetomium thermophilum' . . Eukaryota Fungi Chaetomium Thermophilum . . . . . . . . . . . CTHT_0015430 . 27195 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 27195 _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 $Ct-Frataxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pet28a . . . 27195 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27195 _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 Ct-Frataxin '[U-100% 15N]' . . 1 $Ct-Frataxin . . 1 . . mM . . . . 27195 1 2 Ct-Frataxin '[U-100% 13C]' . . 1 $Ct-Frataxin . . 1 . . mM . . . . 27195 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 27195 _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' 4.20 . M 27195 1 pH 7.4 . pH 27195 1 pressure 1 . atm 27195 1 temperature 310.02 . K 27195 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27195 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details https://spin.niddk.nih.gov/bax/software/NMRPipe/ loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . http://www.ccpn.ac.uk/v2-software/software/analysis 27195 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27195 1 processing 27195 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 27195 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27195 _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 . 800 . . . 27195 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 27195 _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 . . . . . . . . . . . . . . . . 27195 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27195 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27195 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 27195 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27195 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 27195 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27195 1 2 '3D HNCACB' . . . 27195 1 3 '3D CBCA(CO)NH' . . . 27195 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 8.4052 . . . . . . . . 1 MET HN . 27195 1 2 . 1 1 1 1 MET CA C 13 56.1709 . . . . . . . . 1 MET CA . 27195 1 3 . 1 1 1 1 MET CB C 13 32.9358 . . . . . . . . 1 MET CB . 27195 1 4 . 1 1 1 1 MET N N 15 120.1218 . . . . . . . . 1 MET N . 27195 1 5 . 1 1 2 2 ALA H H 1 8.4762 . . . . . . . . 2 ALA HN . 27195 1 6 . 1 1 2 2 ALA CA C 13 52.6381 . . . . . . . . 2 ALA CA . 27195 1 7 . 1 1 2 2 ALA CB C 13 20.0553 . . . . . . . . 2 ALA CB . 27195 1 8 . 1 1 2 2 ALA N N 15 125.3533 . . . . . . . . 2 ALA N . 27195 1 9 . 1 1 3 3 ASP H H 1 8.3492 . . . . . . . . 3 ASP HN . 27195 1 10 . 1 1 3 3 ASP CA C 13 54.0125 . . . . . . . . 3 ASP CA . 27195 1 11 . 1 1 3 3 ASP CB C 13 41.1070 . . . . . . . . 3 ASP CB . 27195 1 12 . 1 1 3 3 ASP N N 15 121.2807 . . . . . . . . 3 ASP N . 27195 1 13 . 1 1 4 4 ILE H H 1 7.8264 . . . . . . . . 4 ILE HN . 27195 1 14 . 1 1 4 4 ILE C C 13 176.1892 . . . . . . . . 4 ILE C . 27195 1 15 . 1 1 4 4 ILE CA C 13 59.9735 . . . . . . . . 4 ILE CA . 27195 1 16 . 1 1 4 4 ILE CB C 13 40.4244 . . . . . . . . 4 ILE CB . 27195 1 17 . 1 1 4 4 ILE N N 15 117.2285 . . . . . . . . 4 ILE N . 27195 1 18 . 1 1 5 5 THR H H 1 8.5366 . . . . . . . . 5 THR HN . 27195 1 19 . 1 1 5 5 THR CA C 13 61.2659 . . . . . . . . 5 THR CA . 27195 1 20 . 1 1 5 5 THR CB C 13 71.3997 . . . . . . . . 5 THR CB . 27195 1 21 . 1 1 5 5 THR N N 15 114.1176 . . . . . . . . 5 THR N . 27195 1 22 . 1 1 6 6 THR H H 1 8.1822 . . . . . . . . 6 THR HN . 27195 1 23 . 1 1 6 6 THR C C 13 175.4503 . . . . . . . . 6 THR C . 27195 1 24 . 1 1 6 6 THR CA C 13 62.8250 . . . . . . . . 6 THR CA . 27195 1 25 . 1 1 6 6 THR CB C 13 68.6307 . . . . . . . . 6 THR CB . 27195 1 26 . 1 1 6 6 THR N N 15 120.3294 . . . . . . . . 6 THR N . 27195 1 27 . 1 1 7 7 ALA H H 1 8.4181 . . . . . . . . 7 ALA HN . 27195 1 28 . 1 1 7 7 ALA C C 13 181.0037 . . . . . . . . 7 ALA C . 27195 1 29 . 1 1 7 7 ALA CA C 13 55.7789 . . . . . . . . 7 ALA CA . 27195 1 30 . 1 1 7 7 ALA CB C 13 18.4423 . . . . . . . . 7 ALA CB . 27195 1 31 . 1 1 7 7 ALA N N 15 122.2552 . . . . . . . . 7 ALA N . 27195 1 32 . 1 1 8 8 GLU H H 1 7.8384 . . . . . . . . 8 GLU HN . 27195 1 33 . 1 1 8 8 GLU C C 13 177.9338 . . . . . . . . 8 GLU C . 27195 1 34 . 1 1 8 8 GLU CA C 13 58.7864 . . . . . . . . 8 GLU CA . 27195 1 35 . 1 1 8 8 GLU CB C 13 29.9848 . . . . . . . . 8 GLU CB . 27195 1 36 . 1 1 8 8 GLU N N 15 120.0897 . . . . . . . . 8 GLU N . 27195 1 37 . 1 1 9 9 TYR H H 1 8.6597 . . . . . . . . 9 TYR HN . 27195 1 38 . 1 1 9 9 TYR CA C 13 61.6600 . . . . . . . . 9 TYR CA . 27195 1 39 . 1 1 9 9 TYR CB C 13 36.5921 . . . . . . . . 9 TYR CB . 27195 1 40 . 1 1 9 9 TYR N N 15 119.1837 . . . . . . . . 9 TYR N . 27195 1 41 . 1 1 10 10 HIS H H 1 8.2109 . . . . . . . . 10 HIS HN . 27195 1 42 . 1 1 10 10 HIS CA C 13 61.6264 . . . . . . . . 10 HIS CA . 27195 1 43 . 1 1 10 10 HIS CB C 13 31.0286 . . . . . . . . 10 HIS CB . 27195 1 44 . 1 1 10 10 HIS N N 15 118.3696 . . . . . . . . 10 HIS N . 27195 1 45 . 1 1 11 11 ARG H H 1 7.4466 . . . . . . . . 11 ARG HN . 27195 1 46 . 1 1 11 11 ARG CA C 13 59.9017 . . . . . . . . 11 ARG CA . 27195 1 47 . 1 1 11 11 ARG CB C 13 30.0907 . . . . . . . . 11 ARG CB . 27195 1 48 . 1 1 11 11 ARG N N 15 117.6724 . . . . . . . . 11 ARG N . 27195 1 49 . 1 1 12 12 LEU H H 1 8.4076 . . . . . . . . 12 LEU HN . 27195 1 50 . 1 1 12 12 LEU C C 13 180.5892 . . . . . . . . 12 LEU C . 27195 1 51 . 1 1 12 12 LEU CA C 13 57.8179 . . . . . . . . 12 LEU CA . 27195 1 52 . 1 1 12 12 LEU CB C 13 42.9772 . . . . . . . . 12 LEU CB . 27195 1 53 . 1 1 12 12 LEU N N 15 119.5194 . . . . . . . . 12 LEU N . 27195 1 54 . 1 1 13 13 ALA H H 1 9.0559 . . . . . . . . 13 ALA HN . 27195 1 55 . 1 1 13 13 ALA C C 13 178.5871 . . . . . . . . 13 ALA C . 27195 1 56 . 1 1 13 13 ALA CA C 13 55.3513 . . . . . . . . 13 ALA CA . 27195 1 57 . 1 1 13 13 ALA CB C 13 17.7168 . . . . . . . . 13 ALA CB . 27195 1 58 . 1 1 13 13 ALA N N 15 122.9286 . . . . . . . . 13 ALA N . 27195 1 59 . 1 1 14 14 ASP H H 1 8.6929 . . . . . . . . 14 ASP HN . 27195 1 60 . 1 1 14 14 ASP CA C 13 57.5335 . . . . . . . . 14 ASP CA . 27195 1 61 . 1 1 14 14 ASP CB C 13 39.1668 . . . . . . . . 14 ASP CB . 27195 1 62 . 1 1 14 14 ASP N N 15 118.5976 . . . . . . . . 14 ASP N . 27195 1 63 . 1 1 15 15 GLU H H 1 8.1427 . . . . . . . . 15 GLU HN . 27195 1 64 . 1 1 15 15 GLU CA C 13 59.7497 . . . . . . . . 15 GLU CA . 27195 1 65 . 1 1 15 15 GLU CB C 13 29.7964 . . . . . . . . 15 GLU CB . 27195 1 66 . 1 1 15 15 GLU N N 15 119.7790 . . . . . . . . 15 GLU N . 27195 1 67 . 1 1 16 16 TYR H H 1 7.9215 . . . . . . . . 16 TYR HN . 27195 1 68 . 1 1 16 16 TYR CA C 13 62.3125 . . . . . . . . 16 TYR CA . 27195 1 69 . 1 1 16 16 TYR CB C 13 38.8050 . . . . . . . . 16 TYR CB . 27195 1 70 . 1 1 16 16 TYR N N 15 121.8447 . . . . . . . . 16 TYR N . 27195 1 71 . 1 1 17 17 LEU H H 1 8.7030 . . . . . . . . 17 LEU HN . 27195 1 72 . 1 1 17 17 LEU C C 13 178.4070 . . . . . . . . 17 LEU C . 27195 1 73 . 1 1 17 17 LEU CA C 13 58.1518 . . . . . . . . 17 LEU CA . 27195 1 74 . 1 1 17 17 LEU CB C 13 40.4514 . . . . . . . . 17 LEU CB . 27195 1 75 . 1 1 17 17 LEU N N 15 119.0599 . . . . . . . . 17 LEU N . 27195 1 76 . 1 1 18 18 ASP H H 1 8.2958 . . . . . . . . 18 ASP HN . 27195 1 77 . 1 1 18 18 ASP C C 13 179.0620 . . . . . . . . 18 ASP C . 27195 1 78 . 1 1 18 18 ASP CA C 13 57.5113 . . . . . . . . 18 ASP CA . 27195 1 79 . 1 1 18 18 ASP CB C 13 40.9378 . . . . . . . . 18 ASP CB . 27195 1 80 . 1 1 18 18 ASP N N 15 119.1514 . . . . . . . . 18 ASP N . 27195 1 81 . 1 1 19 19 ALA H H 1 7.4962 . . . . . . . . 19 ALA HN . 27195 1 82 . 1 1 19 19 ALA C C 13 180.5150 . . . . . . . . 19 ALA C . 27195 1 83 . 1 1 19 19 ALA CA C 13 54.8770 . . . . . . . . 19 ALA CA . 27195 1 84 . 1 1 19 19 ALA CB C 13 17.7205 . . . . . . . . 19 ALA CB . 27195 1 85 . 1 1 19 19 ALA N N 15 123.1371 . . . . . . . . 19 ALA N . 27195 1 86 . 1 1 20 20 LEU H H 1 8.1735 . . . . . . . . 20 LEU HN . 27195 1 87 . 1 1 20 20 LEU CA C 13 57.8894 . . . . . . . . 20 LEU CA . 27195 1 88 . 1 1 20 20 LEU CB C 13 41.1130 . . . . . . . . 20 LEU CB . 27195 1 89 . 1 1 20 20 LEU N N 15 120.7259 . . . . . . . . 20 LEU N . 27195 1 90 . 1 1 21 21 LEU H H 1 8.6810 . . . . . . . . 21 LEU HN . 27195 1 91 . 1 1 21 21 LEU C C 13 178.5239 . . . . . . . . 21 LEU C . 27195 1 92 . 1 1 21 21 LEU CA C 13 58.6006 . . . . . . . . 21 LEU CA . 27195 1 93 . 1 1 21 21 LEU CB C 13 41.0815 . . . . . . . . 21 LEU CB . 27195 1 94 . 1 1 21 21 LEU N N 15 120.3406 . . . . . . . . 21 LEU N . 27195 1 95 . 1 1 22 22 SER H H 1 7.7021 . . . . . . . . 22 SER HN . 27195 1 96 . 1 1 22 22 SER CA C 13 61.5677 . . . . . . . . 22 SER CA . 27195 1 97 . 1 1 22 22 SER CB C 13 62.8879 . . . . . . . . 22 SER CB . 27195 1 98 . 1 1 22 22 SER N N 15 112.2924 . . . . . . . . 22 SER N . 27195 1 99 . 1 1 23 23 ARG H H 1 7.5170 . . . . . . . . 23 ARG HN . 27195 1 100 . 1 1 23 23 ARG CA C 13 57.2317 . . . . . . . . 23 ARG CA . 27195 1 101 . 1 1 23 23 ARG CB C 13 29.4034 . . . . . . . . 23 ARG CB . 27195 1 102 . 1 1 23 23 ARG N N 15 119.7325 . . . . . . . . 23 ARG N . 27195 1 103 . 1 1 24 24 LEU H H 1 8.5831 . . . . . . . . 24 LEU HN . 27195 1 104 . 1 1 24 24 LEU CA C 13 57.4625 . . . . . . . . 24 LEU CA . 27195 1 105 . 1 1 24 24 LEU CB C 13 41.1190 . . . . . . . . 24 LEU CB . 27195 1 106 . 1 1 24 24 LEU N N 15 120.4428 . . . . . . . . 24 LEU N . 27195 1 107 . 1 1 25 25 GLU H H 1 8.6678 . . . . . . . . 25 GLU HN . 27195 1 108 . 1 1 25 25 GLU CA C 13 59.7170 . . . . . . . . 25 GLU CA . 27195 1 109 . 1 1 25 25 GLU CB C 13 29.3006 . . . . . . . . 25 GLU CB . 27195 1 110 . 1 1 25 25 GLU N N 15 120.3794 . . . . . . . . 25 GLU N . 27195 1 111 . 1 1 26 26 GLU H H 1 7.2479 . . . . . . . . 26 GLU HN . 27195 1 112 . 1 1 26 26 GLU CA C 13 59.3229 . . . . . . . . 26 GLU CA . 27195 1 113 . 1 1 26 26 GLU CB C 13 29.7050 . . . . . . . . 26 GLU CB . 27195 1 114 . 1 1 26 26 GLU N N 15 118.6329 . . . . . . . . 26 GLU N . 27195 1 115 . 1 1 27 27 LEU H H 1 7.4956 . . . . . . . . 27 LEU HN . 27195 1 116 . 1 1 27 27 LEU CA C 13 57.7441 . . . . . . . . 27 LEU CA . 27195 1 117 . 1 1 27 27 LEU CB C 13 42.5421 . . . . . . . . 27 LEU CB . 27195 1 118 . 1 1 27 27 LEU N N 15 120.6101 . . . . . . . . 27 LEU N . 27195 1 119 . 1 1 28 28 GLN H H 1 8.0875 . . . . . . . . 28 GLN HN . 27195 1 120 . 1 1 28 28 GLN CA C 13 58.3905 . . . . . . . . 28 GLN CA . 27195 1 121 . 1 1 28 28 GLN CB C 13 29.0916 . . . . . . . . 28 GLN CB . 27195 1 122 . 1 1 28 28 GLN N N 15 117.4762 . . . . . . . . 28 GLN N . 27195 1 123 . 1 1 29 29 ASP H H 1 7.4683 . . . . . . . . 29 ASP HN . 27195 1 124 . 1 1 29 29 ASP CA C 13 56.2317 . . . . . . . . 29 ASP CA . 27195 1 125 . 1 1 29 29 ASP CB C 13 41.4063 . . . . . . . . 29 ASP CB . 27195 1 126 . 1 1 29 29 ASP N N 15 117.1307 . . . . . . . . 29 ASP N . 27195 1 127 . 1 1 30 30 GLU H H 1 7.6346 . . . . . . . . 30 GLU HN . 27195 1 128 . 1 1 30 30 GLU CA C 13 57.1678 . . . . . . . . 30 GLU CA . 27195 1 129 . 1 1 30 30 GLU CB C 13 31.6599 . . . . . . . . 30 GLU CB . 27195 1 130 . 1 1 30 30 GLU N N 15 117.2442 . . . . . . . . 30 GLU N . 27195 1 131 . 1 1 31 31 ARG H H 1 7.9211 . . . . . . . . 31 ARG HN . 27195 1 132 . 1 1 31 31 ARG CA C 13 54.7435 . . . . . . . . 31 ARG CA . 27195 1 133 . 1 1 31 31 ARG CB C 13 32.4893 . . . . . . . . 31 ARG CB . 27195 1 134 . 1 1 31 31 ARG N N 15 119.1217 . . . . . . . . 31 ARG N . 27195 1 135 . 1 1 32 32 GLU H H 1 8.6788 . . . . . . . . 32 GLU HN . 27195 1 136 . 1 1 32 32 GLU CA C 13 57.4343 . . . . . . . . 32 GLU CA . 27195 1 137 . 1 1 32 32 GLU CB C 13 30.2645 . . . . . . . . 32 GLU CB . 27195 1 138 . 1 1 32 32 GLU N N 15 121.3397 . . . . . . . . 32 GLU N . 27195 1 139 . 1 1 33 33 ASP H H 1 8.7852 . . . . . . . . 33 ASP HN . 27195 1 140 . 1 1 33 33 ASP CA C 13 54.1441 . . . . . . . . 33 ASP CA . 27195 1 141 . 1 1 33 33 ASP CB C 13 39.9150 . . . . . . . . 33 ASP CB . 27195 1 142 . 1 1 33 33 ASP N N 15 116.3866 . . . . . . . . 33 ASP N . 27195 1 143 . 1 1 34 34 VAL H H 1 7.1867 . . . . . . . . 34 VAL HN . 27195 1 144 . 1 1 34 34 VAL CA C 13 61.3715 . . . . . . . . 34 VAL CA . 27195 1 145 . 1 1 34 34 VAL CB C 13 34.2289 . . . . . . . . 34 VAL CB . 27195 1 146 . 1 1 34 34 VAL N N 15 117.1116 . . . . . . . . 34 VAL N . 27195 1 147 . 1 1 35 35 ASP H H 1 8.5483 . . . . . . . . 35 ASP HN . 27195 1 148 . 1 1 35 35 ASP CA C 13 53.7177 . . . . . . . . 35 ASP CA . 27195 1 149 . 1 1 35 35 ASP CB C 13 45.0726 . . . . . . . . 35 ASP CB . 27195 1 150 . 1 1 35 35 ASP N N 15 125.2163 . . . . . . . . 35 ASP N . 27195 1 151 . 1 1 36 36 VAL H H 1 8.4270 . . . . . . . . 36 VAL HN . 27195 1 152 . 1 1 36 36 VAL CA C 13 59.8385 . . . . . . . . 36 VAL CA . 27195 1 153 . 1 1 36 36 VAL CB C 13 35.2963 . . . . . . . . 36 VAL CB . 27195 1 154 . 1 1 36 36 VAL N N 15 123.2427 . . . . . . . . 36 VAL N . 27195 1 155 . 1 1 37 37 GLU H H 1 8.6512 . . . . . . . . 37 GLU HN . 27195 1 156 . 1 1 37 37 GLU CA C 13 55.3638 . . . . . . . . 37 GLU CA . 27195 1 157 . 1 1 37 37 GLU CB C 13 33.9207 . . . . . . . . 37 GLU CB . 27195 1 158 . 1 1 37 37 GLU N N 15 126.4389 . . . . . . . . 37 GLU N . 27195 1 159 . 1 1 38 38 TYR H H 1 8.9466 . . . . . . . . 38 TYR HN . 27195 1 160 . 1 1 38 38 TYR CA C 13 55.6933 . . . . . . . . 38 TYR CA . 27195 1 161 . 1 1 38 38 TYR CB C 13 41.2588 . . . . . . . . 38 TYR CB . 27195 1 162 . 1 1 38 38 TYR N N 15 125.0531 . . . . . . . . 38 TYR N . 27195 1 163 . 1 1 39 39 GLN H H 1 8.2245 . . . . . . . . 39 GLN HN . 27195 1 164 . 1 1 39 39 GLN CA C 13 54.9160 . . . . . . . . 39 GLN CA . 27195 1 165 . 1 1 39 39 GLN CB C 13 31.5712 . . . . . . . . 39 GLN CB . 27195 1 166 . 1 1 39 39 GLN N N 15 125.1992 . . . . . . . . 39 GLN N . 27195 1 167 . 1 1 40 40 SER CA C 13 58.5344 . . . . . . . . 40 SER CA . 27195 1 168 . 1 1 40 40 SER CB C 13 62.2540 . . . . . . . . 40 SER CB . 27195 1 169 . 1 1 41 41 GLY H H 1 7.8063 . . . . . . . . 41 GLY HN . 27195 1 170 . 1 1 41 41 GLY CA C 13 46.0196 . . . . . . . . 41 GLY CA . 27195 1 171 . 1 1 41 41 GLY N N 15 105.2015 . . . . . . . . 41 GLY N . 27195 1 172 . 1 1 42 42 VAL H H 1 7.7409 . . . . . . . . 42 VAL HN . 27195 1 173 . 1 1 42 42 VAL CA C 13 62.2470 . . . . . . . . 42 VAL CA . 27195 1 174 . 1 1 42 42 VAL CB C 13 33.4557 . . . . . . . . 42 VAL CB . 27195 1 175 . 1 1 42 42 VAL N N 15 119.9877 . . . . . . . . 42 VAL N . 27195 1 176 . 1 1 43 43 LEU H H 1 9.7693 . . . . . . . . 43 LEU HN . 27195 1 177 . 1 1 43 43 LEU CA C 13 54.6225 . . . . . . . . 43 LEU CA . 27195 1 178 . 1 1 43 43 LEU CB C 13 44.8955 . . . . . . . . 43 LEU CB . 27195 1 179 . 1 1 43 43 LEU N N 15 134.2714 . . . . . . . . 43 LEU N . 27195 1 180 . 1 1 44 44 THR H H 1 9.2393 . . . . . . . . 44 THR HN . 27195 1 181 . 1 1 44 44 THR CA C 13 62.0800 . . . . . . . . 44 THR CA . 27195 1 182 . 1 1 44 44 THR CB C 13 69.8364 . . . . . . . . 44 THR CB . 27195 1 183 . 1 1 44 44 THR N N 15 122.4044 . . . . . . . . 44 THR N . 27195 1 184 . 1 1 45 45 LEU H H 1 9.2296 . . . . . . . . 45 LEU HN . 27195 1 185 . 1 1 45 45 LEU CB C 13 45.0680 . . . . . . . . 45 LEU CB . 27195 1 186 . 1 1 45 45 LEU N N 15 129.5494 . . . . . . . . 45 LEU N . 27195 1 187 . 1 1 46 46 ASN H H 1 9.3318 . . . . . . . . 46 ASN HN . 27195 1 188 . 1 1 46 46 ASN CA C 13 52.9694 . . . . . . . . 46 ASN CA . 27195 1 189 . 1 1 46 46 ASN CB C 13 39.4959 . . . . . . . . 46 ASN CB . 27195 1 190 . 1 1 46 46 ASN N N 15 127.6822 . . . . . . . . 46 ASN N . 27195 1 191 . 1 1 47 47 MET H H 1 8.3605 . . . . . . . . 47 MET HN . 27195 1 192 . 1 1 47 47 MET CA C 13 53.9540 . . . . . . . . 47 MET CA . 27195 1 193 . 1 1 47 47 MET CB C 13 31.5751 . . . . . . . . 47 MET CB . 27195 1 194 . 1 1 47 47 MET N N 15 122.2834 . . . . . . . . 47 MET N . 27195 1 195 . 1 1 48 48 GLY H H 1 8.3337 . . . . . . . . 48 GLY HN . 27195 1 196 . 1 1 48 48 GLY CA C 13 45.2762 . . . . . . . . 48 GLY CA . 27195 1 197 . 1 1 48 48 GLY N N 15 108.7863 . . . . . . . . 48 GLY N . 27195 1 198 . 1 1 49 49 PRO CA C 13 65.1806 . . . . . . . . 49 PRO CA . 27195 1 199 . 1 1 49 49 PRO CB C 13 32.1445 . . . . . . . . 49 PRO CB . 27195 1 200 . 1 1 50 50 GLU H H 1 8.5225 . . . . . . . . 50 GLU HN . 27195 1 201 . 1 1 50 50 GLU CA C 13 57.4148 . . . . . . . . 50 GLU CA . 27195 1 202 . 1 1 50 50 GLU CB C 13 29.7075 . . . . . . . . 50 GLU CB . 27195 1 203 . 1 1 50 50 GLU N N 15 116.3017 . . . . . . . . 50 GLU N . 27195 1 204 . 1 1 51 51 VAL H H 1 7.7238 . . . . . . . . 51 VAL HN . 27195 1 205 . 1 1 51 51 VAL CA C 13 64.4206 . . . . . . . . 51 VAL CA . 27195 1 206 . 1 1 51 51 VAL CB C 13 34.1518 . . . . . . . . 51 VAL CB . 27195 1 207 . 1 1 51 51 VAL N N 15 119.2383 . . . . . . . . 51 VAL N . 27195 1 208 . 1 1 52 52 GLY H H 1 8.0488 . . . . . . . . 52 GLY HN . 27195 1 209 . 1 1 52 52 GLY CA C 13 43.4967 . . . . . . . . 52 GLY CA . 27195 1 210 . 1 1 52 52 GLY N N 15 105.5538 . . . . . . . . 52 GLY N . 27195 1 211 . 1 1 53 53 THR H H 1 8.2901 . . . . . . . . 53 THR HN . 27195 1 212 . 1 1 53 53 THR CA C 13 62.2498 . . . . . . . . 53 THR CA . 27195 1 213 . 1 1 53 53 THR CB C 13 71.3482 . . . . . . . . 53 THR CB . 27195 1 214 . 1 1 53 53 THR N N 15 115.4771 . . . . . . . . 53 THR N . 27195 1 215 . 1 1 54 54 TYR H H 1 9.6374 . . . . . . . . 54 TYR HN . 27195 1 216 . 1 1 54 54 TYR CA C 13 57.3526 . . . . . . . . 54 TYR CA . 27195 1 217 . 1 1 54 54 TYR CB C 13 41.8950 . . . . . . . . 54 TYR CB . 27195 1 218 . 1 1 54 54 TYR N N 15 126.9410 . . . . . . . . 54 TYR N . 27195 1 219 . 1 1 55 55 VAL H H 1 7.9786 . . . . . . . . 55 VAL HN . 27195 1 220 . 1 1 55 55 VAL C C 13 175.7885 . . . . . . . . 55 VAL C . 27195 1 221 . 1 1 55 55 VAL CA C 13 61.7654 . . . . . . . . 55 VAL CA . 27195 1 222 . 1 1 55 55 VAL CB C 13 34.7576 . . . . . . . . 55 VAL CB . 27195 1 223 . 1 1 55 55 VAL N N 15 119.5623 . . . . . . . . 55 VAL N . 27195 1 224 . 1 1 56 56 ILE H H 1 9.5997 . . . . . . . . 56 ILE HN . 27195 1 225 . 1 1 56 56 ILE C C 13 174.0503 . . . . . . . . 56 ILE C . 27195 1 226 . 1 1 56 56 ILE CA C 13 60.4079 . . . . . . . . 56 ILE CA . 27195 1 227 . 1 1 56 56 ILE CB C 13 41.1722 . . . . . . . . 56 ILE CB . 27195 1 228 . 1 1 56 56 ILE N N 15 130.8856 . . . . . . . . 56 ILE N . 27195 1 229 . 1 1 57 57 ASN H H 1 9.5253 . . . . . . . . 57 ASN HN . 27195 1 230 . 1 1 57 57 ASN C C 13 174.6666 . . . . . . . . 57 ASN C . 27195 1 231 . 1 1 57 57 ASN CA C 13 52.0750 . . . . . . . . 57 ASN CA . 27195 1 232 . 1 1 57 57 ASN CB C 13 43.1325 . . . . . . . . 57 ASN CB . 27195 1 233 . 1 1 57 57 ASN N N 15 120.8110 . . . . . . . . 57 ASN N . 27195 1 234 . 1 1 58 58 LYS H H 1 8.6802 . . . . . . . . 58 LYS HN . 27195 1 235 . 1 1 58 58 LYS C C 13 176.4538 . . . . . . . . 58 LYS C . 27195 1 236 . 1 1 58 58 LYS CA C 13 58.4965 . . . . . . . . 58 LYS CA . 27195 1 237 . 1 1 58 58 LYS CB C 13 33.6820 . . . . . . . . 58 LYS CB . 27195 1 238 . 1 1 58 58 LYS N N 15 120.3181 . . . . . . . . 58 LYS N . 27195 1 239 . 1 1 59 59 GLN H H 1 7.7657 . . . . . . . . 59 GLN HN . 27195 1 240 . 1 1 59 59 GLN C C 13 173.1545 . . . . . . . . 59 GLN C . 27195 1 241 . 1 1 59 59 GLN CA C 13 52.0279 . . . . . . . . 59 GLN CA . 27195 1 242 . 1 1 59 59 GLN CB C 13 28.2485 . . . . . . . . 59 GLN CB . 27195 1 243 . 1 1 59 59 GLN N N 15 122.7562 . . . . . . . . 59 GLN N . 27195 1 244 . 1 1 61 61 PRO CA C 13 66.4222 . . . . . . . . 61 PRO CA . 27195 1 245 . 1 1 61 61 PRO CB C 13 30.9827 . . . . . . . . 61 PRO CB . 27195 1 246 . 1 1 62 62 ASN H H 1 6.8623 . . . . . . . . 62 ASN HN . 27195 1 247 . 1 1 62 62 ASN CA C 13 52.7006 . . . . . . . . 62 ASN CA . 27195 1 248 . 1 1 62 62 ASN CB C 13 40.4141 . . . . . . . . 62 ASN CB . 27195 1 249 . 1 1 62 62 ASN N N 15 110.6333 . . . . . . . . 62 ASN N . 27195 1 250 . 1 1 63 63 LYS H H 1 7.9153 . . . . . . . . 63 LYS HN . 27195 1 251 . 1 1 63 63 LYS CA C 13 57.7136 . . . . . . . . 63 LYS CA . 27195 1 252 . 1 1 63 63 LYS CB C 13 28.9514 . . . . . . . . 63 LYS CB . 27195 1 253 . 1 1 63 63 LYS N N 15 116.3341 . . . . . . . . 63 LYS N . 27195 1 254 . 1 1 64 64 GLN H H 1 8.9984 . . . . . . . . 64 GLN HN . 27195 1 255 . 1 1 64 64 GLN CA C 13 53.9341 . . . . . . . . 64 GLN CA . 27195 1 256 . 1 1 64 64 GLN CB C 13 36.7019 . . . . . . . . 64 GLN CB . 27195 1 257 . 1 1 64 64 GLN N N 15 125.0804 . . . . . . . . 64 GLN N . 27195 1 258 . 1 1 65 65 ILE H H 1 8.9967 . . . . . . . . 65 ILE HN . 27195 1 259 . 1 1 65 65 ILE CA C 13 62.3631 . . . . . . . . 65 ILE CA . 27195 1 260 . 1 1 65 65 ILE CB C 13 40.3309 . . . . . . . . 65 ILE CB . 27195 1 261 . 1 1 65 65 ILE N N 15 125.0272 . . . . . . . . 65 ILE N . 27195 1 262 . 1 1 66 66 TRP H H 1 9.7681 . . . . . . . . 66 TRP HN . 27195 1 263 . 1 1 66 66 TRP HE1 H 1 10.4969 . . . . . . . . 66 TRP HE1 . 27195 1 264 . 1 1 66 66 TRP CA C 13 55.6514 . . . . . . . . 66 TRP CA . 27195 1 265 . 1 1 66 66 TRP CB C 13 30.8259 . . . . . . . . 66 TRP CB . 27195 1 266 . 1 1 66 66 TRP N N 15 130.7994 . . . . . . . . 66 TRP N . 27195 1 267 . 1 1 66 66 TRP NE1 N 15 127.0787 . . . . . . . . 66 TRP NE1 . 27195 1 268 . 1 1 67 67 LEU H H 1 8.6425 . . . . . . . . 67 LEU HN . 27195 1 269 . 1 1 67 67 LEU CA C 13 53.8827 . . . . . . . . 67 LEU CA . 27195 1 270 . 1 1 67 67 LEU CB C 13 47.7477 . . . . . . . . 67 LEU CB . 27195 1 271 . 1 1 67 67 LEU N N 15 122.6119 . . . . . . . . 67 LEU N . 27195 1 272 . 1 1 68 68 SER H H 1 9.2381 . . . . . . . . 68 SER HN . 27195 1 273 . 1 1 68 68 SER C C 13 173.2851 . . . . . . . . 68 SER C . 27195 1 274 . 1 1 68 68 SER CA C 13 57.3484 . . . . . . . . 68 SER CA . 27195 1 275 . 1 1 68 68 SER CB C 13 63.7275 . . . . . . . . 68 SER CB . 27195 1 276 . 1 1 68 68 SER N N 15 120.8165 . . . . . . . . 68 SER N . 27195 1 277 . 1 1 69 69 SER H H 1 7.3613 . . . . . . . . 69 SER HN . 27195 1 278 . 1 1 69 69 SER CA C 13 51.5558 . . . . . . . . 69 SER CA . 27195 1 279 . 1 1 69 69 SER N N 15 120.2395 . . . . . . . . 69 SER N . 27195 1 280 . 1 1 70 70 PRO CA C 13 63.8430 . . . . . . . . 70 PRO CA . 27195 1 281 . 1 1 70 70 PRO CB C 13 31.6235 . . . . . . . . 70 PRO CB . 27195 1 282 . 1 1 71 71 LYS H H 1 7.7178 . . . . . . . . 71 LYS HN . 27195 1 283 . 1 1 71 71 LYS CA C 13 57.5733 . . . . . . . . 71 LYS CA . 27195 1 284 . 1 1 71 71 LYS CB C 13 33.8526 . . . . . . . . 71 LYS CB . 27195 1 285 . 1 1 71 71 LYS N N 15 118.5536 . . . . . . . . 71 LYS N . 27195 1 286 . 1 1 72 72 SER H H 1 8.0999 . . . . . . . . 72 SER HN . 27195 1 287 . 1 1 72 72 SER CA C 13 57.5643 . . . . . . . . 72 SER CA . 27195 1 288 . 1 1 72 72 SER CB C 13 64.0393 . . . . . . . . 72 SER CB . 27195 1 289 . 1 1 72 72 SER N N 15 109.7120 . . . . . . . . 72 SER N . 27195 1 290 . 1 1 73 73 GLY H H 1 8.0961 . . . . . . . . 73 GLY HN . 27195 1 291 . 1 1 73 73 GLY CA C 13 45.4388 . . . . . . . . 73 GLY CA . 27195 1 292 . 1 1 73 73 GLY N N 15 112.7905 . . . . . . . . 73 GLY N . 27195 1 293 . 1 1 74 74 PRO CA C 13 62.4749 . . . . . . . . 74 PRO CA . 27195 1 294 . 1 1 74 74 PRO CB C 13 32.5197 . . . . . . . . 74 PRO CB . 27195 1 295 . 1 1 75 75 LYS H H 1 9.0604 . . . . . . . . 75 LYS HN . 27195 1 296 . 1 1 75 75 LYS CA C 13 56.0196 . . . . . . . . 75 LYS CA . 27195 1 297 . 1 1 75 75 LYS CB C 13 39.8376 . . . . . . . . 75 LYS CB . 27195 1 298 . 1 1 75 75 LYS N N 15 121.4016 . . . . . . . . 75 LYS N . 27195 1 299 . 1 1 76 76 ARG H H 1 6.0769 . . . . . . . . 76 ARG HN . 27195 1 300 . 1 1 76 76 ARG CA C 13 55.5287 . . . . . . . . 76 ARG CA . 27195 1 301 . 1 1 76 76 ARG CB C 13 32.6356 . . . . . . . . 76 ARG CB . 27195 1 302 . 1 1 76 76 ARG N N 15 118.7272 . . . . . . . . 76 ARG N . 27195 1 303 . 1 1 77 77 TYR H H 1 9.6253 . . . . . . . . 77 TYR HN . 27195 1 304 . 1 1 77 77 TYR CA C 13 59.5081 . . . . . . . . 77 TYR CA . 27195 1 305 . 1 1 77 77 TYR CB C 13 40.7829 . . . . . . . . 77 TYR CB . 27195 1 306 . 1 1 77 77 TYR N N 15 122.0476 . . . . . . . . 77 TYR N . 27195 1 307 . 1 1 78 78 ASP H H 1 9.4485 . . . . . . . . 78 ASP HN . 27195 1 308 . 1 1 78 78 ASP CA C 13 53.7413 . . . . . . . . 78 ASP CA . 27195 1 309 . 1 1 78 78 ASP CB C 13 46.1522 . . . . . . . . 78 ASP CB . 27195 1 310 . 1 1 78 78 ASP N N 15 123.8568 . . . . . . . . 78 ASP N . 27195 1 311 . 1 1 79 79 TYR H H 1 8.9535 . . . . . . . . 79 TYR HN . 27195 1 312 . 1 1 79 79 TYR CA C 13 58.4569 . . . . . . . . 79 TYR CA . 27195 1 313 . 1 1 79 79 TYR CB C 13 37.6773 . . . . . . . . 79 TYR CB . 27195 1 314 . 1 1 79 79 TYR N N 15 123.5749 . . . . . . . . 79 TYR N . 27195 1 315 . 1 1 80 80 VAL H H 1 8.3727 . . . . . . . . 80 VAL HN . 27195 1 316 . 1 1 80 80 VAL CA C 13 61.1157 . . . . . . . . 80 VAL CA . 27195 1 317 . 1 1 80 80 VAL CB C 13 35.1574 . . . . . . . . 80 VAL CB . 27195 1 318 . 1 1 80 80 VAL N N 15 128.0926 . . . . . . . . 80 VAL N . 27195 1 319 . 1 1 81 81 ILE H H 1 8.2880 . . . . . . . . 81 ILE HN . 27195 1 320 . 1 1 81 81 ILE CA C 13 60.7148 . . . . . . . . 81 ILE CA . 27195 1 321 . 1 1 81 81 ILE CB C 13 38.2095 . . . . . . . . 81 ILE CB . 27195 1 322 . 1 1 81 81 ILE N N 15 125.9101 . . . . . . . . 81 ILE N . 27195 1 323 . 1 1 82 82 THR H H 1 8.4774 . . . . . . . . 82 THR HN . 27195 1 324 . 1 1 82 82 THR CA C 13 61.8386 . . . . . . . . 82 THR CA . 27195 1 325 . 1 1 82 82 THR CB C 13 69.7209 . . . . . . . . 82 THR CB . 27195 1 326 . 1 1 82 82 THR N N 15 120.3818 . . . . . . . . 82 THR N . 27195 1 327 . 1 1 83 83 GLY H H 1 8.2227 . . . . . . . . 83 GLY HN . 27195 1 328 . 1 1 83 83 GLY CA C 13 45.4825 . . . . . . . . 83 GLY CA . 27195 1 329 . 1 1 83 83 GLY N N 15 110.8263 . . . . . . . . 83 GLY N . 27195 1 330 . 1 1 84 84 GLU H H 1 8.3088 . . . . . . . . 84 GLU HN . 27195 1 331 . 1 1 84 84 GLU CA C 13 56.8026 . . . . . . . . 84 GLU CA . 27195 1 332 . 1 1 84 84 GLU CB C 13 30.6004 . . . . . . . . 84 GLU CB . 27195 1 333 . 1 1 84 84 GLU N N 15 120.5764 . . . . . . . . 84 GLU N . 27195 1 334 . 1 1 85 85 GLY H H 1 8.5099 . . . . . . . . 85 GLY HN . 27195 1 335 . 1 1 85 85 GLY CA C 13 45.6743 . . . . . . . . 85 GLY CA . 27195 1 336 . 1 1 85 85 GLY N N 15 110.0280 . . . . . . . . 85 GLY N . 27195 1 337 . 1 1 86 86 GLN H H 1 8.2156 . . . . . . . . 86 GLN HN . 27195 1 338 . 1 1 86 86 GLN CA C 13 56.1640 . . . . . . . . 86 GLN CA . 27195 1 339 . 1 1 86 86 GLN CB C 13 29.4886 . . . . . . . . 86 GLN CB . 27195 1 340 . 1 1 86 86 GLN N N 15 119.3631 . . . . . . . . 86 GLN N . 27195 1 341 . 1 1 87 87 ASN H H 1 8.4427 . . . . . . . . 87 ASN HN . 27195 1 342 . 1 1 87 87 ASN CA C 13 53.8531 . . . . . . . . 87 ASN CA . 27195 1 343 . 1 1 87 87 ASN CB C 13 39.0020 . . . . . . . . 87 ASN CB . 27195 1 344 . 1 1 87 87 ASN N N 15 118.9604 . . . . . . . . 87 ASN N . 27195 1 345 . 1 1 88 88 GLU H H 1 8.5301 . . . . . . . . 88 GLU HN . 27195 1 346 . 1 1 88 88 GLU CA C 13 57.3830 . . . . . . . . 88 GLU CA . 27195 1 347 . 1 1 88 88 GLU CB C 13 29.8929 . . . . . . . . 88 GLU CB . 27195 1 348 . 1 1 88 88 GLU N N 15 120.2278 . . . . . . . . 88 GLU N . 27195 1 349 . 1 1 89 89 LYS H H 1 8.1307 . . . . . . . . 89 LYS HN . 27195 1 350 . 1 1 89 89 LYS CA C 13 56.2324 . . . . . . . . 89 LYS CA . 27195 1 351 . 1 1 89 89 LYS CB C 13 32.6945 . . . . . . . . 89 LYS CB . 27195 1 352 . 1 1 89 89 LYS N N 15 120.1844 . . . . . . . . 89 LYS N . 27195 1 353 . 1 1 90 90 GLN H H 1 8.1818 . . . . . . . . 90 GLN HN . 27195 1 354 . 1 1 90 90 GLN CA C 13 56.2222 . . . . . . . . 90 GLN CA . 27195 1 355 . 1 1 90 90 GLN CB C 13 29.4651 . . . . . . . . 90 GLN CB . 27195 1 356 . 1 1 90 90 GLN N N 15 120.1468 . . . . . . . . 90 GLN N . 27195 1 357 . 1 1 91 91 ASP H H 1 8.3798 . . . . . . . . 91 ASP HN . 27195 1 358 . 1 1 91 91 ASP CA C 13 54.8512 . . . . . . . . 91 ASP CA . 27195 1 359 . 1 1 91 91 ASP CB C 13 41.1267 . . . . . . . . 91 ASP CB . 27195 1 360 . 1 1 91 91 ASP N N 15 120.4930 . . . . . . . . 91 ASP N . 27195 1 361 . 1 1 92 92 THR H H 1 7.8581 . . . . . . . . 92 THR HN . 27195 1 362 . 1 1 92 92 THR C C 13 173.8759 . . . . . . . . 92 THR C . 27195 1 363 . 1 1 92 92 THR CA C 13 61.6921 . . . . . . . . 92 THR CA . 27195 1 364 . 1 1 92 92 THR CB C 13 70.0085 . . . . . . . . 92 THR CB . 27195 1 365 . 1 1 92 92 THR N N 15 112.8316 . . . . . . . . 92 THR N . 27195 1 366 . 1 1 93 93 ALA H H 1 8.2234 . . . . . . . . 93 ALA HN . 27195 1 367 . 1 1 93 93 ALA CA C 13 52.5274 . . . . . . . . 93 ALA CA . 27195 1 368 . 1 1 93 93 ALA CB C 13 19.6437 . . . . . . . . 93 ALA CB . 27195 1 369 . 1 1 93 93 ALA N N 15 126.3586 . . . . . . . . 93 ALA N . 27195 1 370 . 1 1 94 94 VAL H H 1 8.1030 . . . . . . . . 94 VAL HN . 27195 1 371 . 1 1 94 94 VAL CA C 13 62.0686 . . . . . . . . 94 VAL CA . 27195 1 372 . 1 1 94 94 VAL CB C 13 33.1592 . . . . . . . . 94 VAL CB . 27195 1 373 . 1 1 94 94 VAL N N 15 119.8948 . . . . . . . . 94 VAL N . 27195 1 374 . 1 1 95 95 GLY H H 1 7.7613 . . . . . . . . 95 GLY HN . 27195 1 375 . 1 1 95 95 GLY C C 13 171.8077 . . . . . . . . 95 GLY C . 27195 1 376 . 1 1 95 95 GLY CA C 13 45.2154 . . . . . . . . 95 GLY CA . 27195 1 377 . 1 1 95 95 GLY N N 15 112.0881 . . . . . . . . 95 GLY N . 27195 1 378 . 1 1 96 96 GLU H H 1 7.8124 . . . . . . . . 96 GLU HN . 27195 1 379 . 1 1 96 96 GLU C C 13 173.4026 . . . . . . . . 96 GLU C . 27195 1 380 . 1 1 96 96 GLU CA C 13 54.0264 . . . . . . . . 96 GLU CA . 27195 1 381 . 1 1 96 96 GLU CB C 13 34.4296 . . . . . . . . 96 GLU CB . 27195 1 382 . 1 1 96 96 GLU N N 15 117.3431 . . . . . . . . 96 GLU N . 27195 1 383 . 1 1 97 97 TRP H H 1 8.0978 . . . . . . . . 97 TRP HN . 27195 1 384 . 1 1 97 97 TRP CA C 13 56.3356 . . . . . . . . 97 TRP CA . 27195 1 385 . 1 1 97 97 TRP CB C 13 29.0636 . . . . . . . . 97 TRP CB . 27195 1 386 . 1 1 97 97 TRP N N 15 122.3934 . . . . . . . . 97 TRP N . 27195 1 387 . 1 1 98 98 VAL H H 1 9.9359 . . . . . . . . 98 VAL HN . 27195 1 388 . 1 1 98 98 VAL CA C 13 62.0895 . . . . . . . . 98 VAL CA . 27195 1 389 . 1 1 98 98 VAL CB C 13 37.0719 . . . . . . . . 98 VAL CB . 27195 1 390 . 1 1 98 98 VAL N N 15 127.1709 . . . . . . . . 98 VAL N . 27195 1 391 . 1 1 99 99 TYR H H 1 9.5163 . . . . . . . . 99 TYR HN . 27195 1 392 . 1 1 99 99 TYR C C 13 175.7488 . . . . . . . . 99 TYR C . 27195 1 393 . 1 1 99 99 TYR CA C 13 53.5327 . . . . . . . . 99 TYR CA . 27195 1 394 . 1 1 99 99 TYR CB C 13 35.8541 . . . . . . . . 99 TYR CB . 27195 1 395 . 1 1 99 99 TYR N N 15 129.8414 . . . . . . . . 99 TYR N . 27195 1 396 . 1 1 100 100 LEU H H 1 9.2866 . . . . . . . . 100 LEU HN . 27195 1 397 . 1 1 100 100 LEU C C 13 178.0739 . . . . . . . . 100 LEU C . 27195 1 398 . 1 1 100 100 LEU CA C 13 57.9917 . . . . . . . . 100 LEU CA . 27195 1 399 . 1 1 100 100 LEU CB C 13 41.2712 . . . . . . . . 100 LEU CB . 27195 1 400 . 1 1 100 100 LEU N N 15 129.0422 . . . . . . . . 100 LEU N . 27195 1 401 . 1 1 101 101 ARG H H 1 6.3262 . . . . . . . . 101 ARG HN . 27195 1 402 . 1 1 101 101 ARG C C 13 176.3909 . . . . . . . . 101 ARG C . 27195 1 403 . 1 1 101 101 ARG CA C 13 58.4659 . . . . . . . . 101 ARG CA . 27195 1 404 . 1 1 101 101 ARG CB C 13 29.5651 . . . . . . . . 101 ARG CB . 27195 1 405 . 1 1 101 101 ARG N N 15 115.1676 . . . . . . . . 101 ARG N . 27195 1 406 . 1 1 102 102 ASP H H 1 6.6185 . . . . . . . . 102 ASP HN . 27195 1 407 . 1 1 102 102 ASP CA C 13 53.0584 . . . . . . . . 102 ASP CA . 27195 1 408 . 1 1 102 102 ASP CB C 13 42.3288 . . . . . . . . 102 ASP CB . 27195 1 409 . 1 1 102 102 ASP N N 15 112.0958 . . . . . . . . 102 ASP N . 27195 1 410 . 1 1 103 103 GLY H H 1 8.7288 . . . . . . . . 103 GLY HN . 27195 1 411 . 1 1 103 103 GLY CA C 13 46.1477 . . . . . . . . 103 GLY CA . 27195 1 412 . 1 1 103 103 GLY N N 15 110.2931 . . . . . . . . 103 GLY N . 27195 1 413 . 1 1 104 104 SER H H 1 8.7298 . . . . . . . . 104 SER HN . 27195 1 414 . 1 1 104 104 SER CA C 13 58.2756 . . . . . . . . 104 SER CA . 27195 1 415 . 1 1 104 104 SER CB C 13 64.9045 . . . . . . . . 104 SER CB . 27195 1 416 . 1 1 104 104 SER N N 15 117.4340 . . . . . . . . 104 SER N . 27195 1 417 . 1 1 105 105 THR H H 1 8.4613 . . . . . . . . 105 THR HN . 27195 1 418 . 1 1 105 105 THR CA C 13 59.9311 . . . . . . . . 105 THR CA . 27195 1 419 . 1 1 105 105 THR CB C 13 71.7224 . . . . . . . . 105 THR CB . 27195 1 420 . 1 1 105 105 THR N N 15 109.0417 . . . . . . . . 105 THR N . 27195 1 421 . 1 1 106 106 LEU H H 1 8.0456 . . . . . . . . 106 LEU HN . 27195 1 422 . 1 1 106 106 LEU CA C 13 58.4862 . . . . . . . . 106 LEU CA . 27195 1 423 . 1 1 106 106 LEU CB C 13 40.5376 . . . . . . . . 106 LEU CB . 27195 1 424 . 1 1 106 106 LEU N N 15 129.4858 . . . . . . . . 106 LEU N . 27195 1 425 . 1 1 107 107 ASN H H 1 8.6005 . . . . . . . . 107 ASN HN . 27195 1 426 . 1 1 107 107 ASN C C 13 178.7365 . . . . . . . . 107 ASN C . 27195 1 427 . 1 1 107 107 ASN CA C 13 56.0845 . . . . . . . . 107 ASN CA . 27195 1 428 . 1 1 107 107 ASN CB C 13 37.3345 . . . . . . . . 107 ASN CB . 27195 1 429 . 1 1 107 107 ASN N N 15 116.3611 . . . . . . . . 107 ASN N . 27195 1 430 . 1 1 108 108 GLN H H 1 8.1442 . . . . . . . . 108 GLN HN . 27195 1 431 . 1 1 108 108 GLN C C 13 177.6539 . . . . . . . . 108 GLN C . 27195 1 432 . 1 1 108 108 GLN CA C 13 59.1169 . . . . . . . . 108 GLN CA . 27195 1 433 . 1 1 108 108 GLN CB C 13 28.1176 . . . . . . . . 108 GLN CB . 27195 1 434 . 1 1 108 108 GLN N N 15 120.8197 . . . . . . . . 108 GLN N . 27195 1 435 . 1 1 109 109 LEU H H 1 7.4340 . . . . . . . . 109 LEU HN . 27195 1 436 . 1 1 109 109 LEU C C 13 179.7123 . . . . . . . . 109 LEU C . 27195 1 437 . 1 1 109 109 LEU CA C 13 58.4345 . . . . . . . . 109 LEU CA . 27195 1 438 . 1 1 109 109 LEU CB C 13 41.3861 . . . . . . . . 109 LEU CB . 27195 1 439 . 1 1 109 109 LEU N N 15 122.4849 . . . . . . . . 109 LEU N . 27195 1 440 . 1 1 110 110 LEU H H 1 8.2460 . . . . . . . . 110 LEU HN . 27195 1 441 . 1 1 110 110 LEU CA C 13 58.2188 . . . . . . . . 110 LEU CA . 27195 1 442 . 1 1 110 110 LEU CB C 13 41.5331 . . . . . . . . 110 LEU CB . 27195 1 443 . 1 1 110 110 LEU N N 15 118.3081 . . . . . . . . 110 LEU N . 27195 1 444 . 1 1 111 111 LEU H H 1 7.8257 . . . . . . . . 111 LEU HN . 27195 1 445 . 1 1 111 111 LEU CA C 13 58.4288 . . . . . . . . 111 LEU CA . 27195 1 446 . 1 1 111 111 LEU CB C 13 42.0786 . . . . . . . . 111 LEU CB . 27195 1 447 . 1 1 111 111 LEU N N 15 121.7129 . . . . . . . . 111 LEU N . 27195 1 448 . 1 1 112 112 GLU H H 1 8.2630 . . . . . . . . 112 GLU HN . 27195 1 449 . 1 1 112 112 GLU CA C 13 59.4418 . . . . . . . . 112 GLU CA . 27195 1 450 . 1 1 112 112 GLU CB C 13 30.1401 . . . . . . . . 112 GLU CB . 27195 1 451 . 1 1 112 112 GLU N N 15 118.4575 . . . . . . . . 112 GLU N . 27195 1 452 . 1 1 113 113 GLU H H 1 8.9855 . . . . . . . . 113 GLU HN . 27195 1 453 . 1 1 113 113 GLU CA C 13 59.8917 . . . . . . . . 113 GLU CA . 27195 1 454 . 1 1 113 113 GLU CB C 13 29.9795 . . . . . . . . 113 GLU CB . 27195 1 455 . 1 1 113 113 GLU N N 15 113.8726 . . . . . . . . 113 GLU N . 27195 1 456 . 1 1 114 114 ILE H H 1 7.5820 . . . . . . . . 114 ILE HN . 27195 1 457 . 1 1 114 114 ILE CA C 13 60.9104 . . . . . . . . 114 ILE CA . 27195 1 458 . 1 1 114 114 ILE CB C 13 39.8990 . . . . . . . . 114 ILE CB . 27195 1 459 . 1 1 114 114 ILE N N 15 111.4783 . . . . . . . . 114 ILE N . 27195 1 460 . 1 1 115 115 GLY H H 1 7.6588 . . . . . . . . 115 GLY HN . 27195 1 461 . 1 1 115 115 GLY CA C 13 46.4294 . . . . . . . . 115 GLY CA . 27195 1 462 . 1 1 115 115 GLY N N 15 108.9329 . . . . . . . . 115 GLY N . 27195 1 463 . 1 1 116 116 VAL H H 1 6.8209 . . . . . . . . 116 VAL HN . 27195 1 464 . 1 1 116 116 VAL CA C 13 61.0163 . . . . . . . . 116 VAL CA . 27195 1 465 . 1 1 116 116 VAL CB C 13 33.6133 . . . . . . . . 116 VAL CB . 27195 1 466 . 1 1 116 116 VAL N N 15 117.8859 . . . . . . . . 116 VAL N . 27195 1 467 . 1 1 117 117 ASP H H 1 8.5453 . . . . . . . . 117 ASP HN . 27195 1 468 . 1 1 117 117 ASP CA C 13 52.3757 . . . . . . . . 117 ASP CA . 27195 1 469 . 1 1 117 117 ASP CB C 13 42.1120 . . . . . . . . 117 ASP CB . 27195 1 470 . 1 1 117 117 ASP N N 15 125.5419 . . . . . . . . 117 ASP N . 27195 1 471 . 1 1 118 118 LEU H H 1 8.5220 . . . . . . . . 118 LEU HN . 27195 1 472 . 1 1 118 118 LEU CA C 13 55.2094 . . . . . . . . 118 LEU CA . 27195 1 473 . 1 1 118 118 LEU CB C 13 41.6069 . . . . . . . . 118 LEU CB . 27195 1 474 . 1 1 118 118 LEU N N 15 126.2736 . . . . . . . . 118 LEU N . 27195 1 475 . 1 1 119 119 ASN H H 1 8.4598 . . . . . . . . 119 ASN HN . 27195 1 476 . 1 1 119 119 ASN CA C 13 53.7342 . . . . . . . . 119 ASN CA . 27195 1 477 . 1 1 119 119 ASN CB C 13 39.0202 . . . . . . . . 119 ASN CB . 27195 1 478 . 1 1 119 119 ASN N N 15 119.0337 . . . . . . . . 119 ASN N . 27195 1 479 . 1 1 120 120 VAL H H 1 7.8027 . . . . . . . . 120 VAL HN . 27195 1 480 . 1 1 120 120 VAL CA C 13 59.9474 . . . . . . . . 120 VAL CA . 27195 1 481 . 1 1 120 120 VAL CB C 13 32.6646 . . . . . . . . 120 VAL CB . 27195 1 482 . 1 1 120 120 VAL N N 15 121.9119 . . . . . . . . 120 VAL N . 27195 1 483 . 1 1 121 121 PRO CA C 13 62.6517 . . . . . . . . 121 PRO CA . 27195 1 484 . 1 1 121 121 PRO CB C 13 34.6765 . . . . . . . . 121 PRO CB . 27195 1 485 . 1 1 122 122 VAL H H 1 8.4060 . . . . . . . . 122 VAL HN . 27195 1 486 . 1 1 122 122 VAL CA C 13 62.3401 . . . . . . . . 122 VAL CA . 27195 1 487 . 1 1 122 122 VAL CB C 13 32.5914 . . . . . . . . 122 VAL CB . 27195 1 488 . 1 1 122 122 VAL N N 15 120.0936 . . . . . . . . 122 VAL N . 27195 1 489 . 1 1 123 123 SER H H 1 8.3137 . . . . . . . . 123 SER HN . 27195 1 490 . 1 1 123 123 SER CA C 13 58.1818 . . . . . . . . 123 SER CA . 27195 1 491 . 1 1 123 123 SER CB C 13 64.0421 . . . . . . . . 123 SER CB . 27195 1 492 . 1 1 123 123 SER N N 15 119.4173 . . . . . . . . 123 SER N . 27195 1 493 . 1 1 124 124 GLN H H 1 8.4361 . . . . . . . . 124 GLN HN . 27195 1 494 . 1 1 124 124 GLN CA C 13 55.7297 . . . . . . . . 124 GLN CA . 27195 1 495 . 1 1 124 124 GLN CB C 13 29.9375 . . . . . . . . 124 GLN CB . 27195 1 496 . 1 1 124 124 GLN N N 15 123.2764 . . . . . . . . 124 GLN N . 27195 1 497 . 1 1 125 125 ASP H H 1 7.9605 . . . . . . . . 125 ASP HN . 27195 1 498 . 1 1 125 125 ASP CA C 13 55.9529 . . . . . . . . 125 ASP CA . 27195 1 499 . 1 1 125 125 ASP CB C 13 42.3336 . . . . . . . . 125 ASP CB . 27195 1 500 . 1 1 125 125 ASP N N 15 127.2048 . . . . . . . . 125 ASP N . 27195 1 stop_ save_