data_26770 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26770 _Entry.Title ; CP12 reduced state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-24 _Entry.Accession_date 2016-03-24 _Entry.Last_release_date 2016-09-02 _Entry.Original_release_date 2016-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'CP12 in reduced state from chlamydomonas reinhardtii' _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 Helene Launay . . . . 26770 2 Patrick Barre . . . . 26770 3 Carine Puppo . . . . 26770 4 Veronique Receveur-Brechot . . . . 26770 5 Brigitte Gontero-Meunier . . . . 26770 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Cancer Research Center of Marseille' . 26770 2 . 'BIP : Bio nerg tique et Ing nierie des Prot ines' . 26770 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26770 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 263 26770 '15N chemical shifts' 85 26770 '1H chemical shifts' 467 26770 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 . . 2016-09-02 . original BMRB . 26770 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26013 'CP12 oxydised' 26770 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26770 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27268235 _Citation.Full_citation . _Citation.Title ; Absence of residual structure in the intrinsically disordered regulatory protein CP12 in its reduced state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 477 _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 20 _Citation.Page_last 26 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Helene Launay . . . . 26770 1 2 Patrick Barre . . . . 26770 1 3 Carine Puppo . . . . 26770 1 4 Stephanie Manneville . . . . 26770 1 5 Brigitte Gontero-Meunier . . . . 26770 1 6 Veronique Receveur-Brechot . . . . 26770 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26770 _Assembly.ID 1 _Assembly.Name 'CP12 reduced' _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 . _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 'CP12 reduced' 1 $CP12_reduced A . yes native no no . . . 26770 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CP12_reduced _Entity.Sf_category entity _Entity.Sf_framecode CP12_reduced _Entity.Entry_ID 26770 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CP12_reduced _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 ; HHHHHHHHHSSGHIEGRHMS GQPAVDLNKKVQDAVKEAED ACAKGTSADCAVAWDTVEEL SAAVSHKKDAVKADVTLTDP LEAFCKDAPDADECRVYED ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all reduced' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Calvin cycle regulatory protein' 26770 1 stop_ 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 -10 HIS . 26770 1 2 -9 HIS . 26770 1 3 -8 HIS . 26770 1 4 -7 HIS . 26770 1 5 -6 HIS . 26770 1 6 -5 HIS . 26770 1 7 -4 HIS . 26770 1 8 -3 HIS . 26770 1 9 -2 HIS . 26770 1 10 -1 SER . 26770 1 11 0 SER . 26770 1 12 1 GLY . 26770 1 13 2 HIS . 26770 1 14 3 ILE . 26770 1 15 4 GLU . 26770 1 16 5 GLY . 26770 1 17 6 ARG . 26770 1 18 7 HIS . 26770 1 19 8 MET . 26770 1 20 9 SER . 26770 1 21 10 GLY . 26770 1 22 11 GLN . 26770 1 23 12 PRO . 26770 1 24 13 ALA . 26770 1 25 14 VAL . 26770 1 26 15 ASP . 26770 1 27 16 LEU . 26770 1 28 17 ASN . 26770 1 29 18 LYS . 26770 1 30 19 LYS . 26770 1 31 20 VAL . 26770 1 32 21 GLN . 26770 1 33 22 ASP . 26770 1 34 23 ALA . 26770 1 35 24 VAL . 26770 1 36 25 LYS . 26770 1 37 26 GLU . 26770 1 38 27 ALA . 26770 1 39 28 GLU . 26770 1 40 29 ASP . 26770 1 41 30 ALA . 26770 1 42 31 CYS . 26770 1 43 32 ALA . 26770 1 44 33 LYS . 26770 1 45 34 GLY . 26770 1 46 35 THR . 26770 1 47 36 SER . 26770 1 48 37 ALA . 26770 1 49 38 ASP . 26770 1 50 39 CYS . 26770 1 51 40 ALA . 26770 1 52 41 VAL . 26770 1 53 42 ALA . 26770 1 54 43 TRP . 26770 1 55 44 ASP . 26770 1 56 45 THR . 26770 1 57 46 VAL . 26770 1 58 47 GLU . 26770 1 59 48 GLU . 26770 1 60 49 LEU . 26770 1 61 50 SER . 26770 1 62 51 ALA . 26770 1 63 52 ALA . 26770 1 64 53 VAL . 26770 1 65 54 SER . 26770 1 66 55 HIS . 26770 1 67 56 LYS . 26770 1 68 57 LYS . 26770 1 69 58 ASP . 26770 1 70 59 ALA . 26770 1 71 60 VAL . 26770 1 72 61 LYS . 26770 1 73 62 ALA . 26770 1 74 63 ASP . 26770 1 75 64 VAL . 26770 1 76 65 THR . 26770 1 77 66 LEU . 26770 1 78 67 THR . 26770 1 79 68 ASP . 26770 1 80 69 PRO . 26770 1 81 70 LEU . 26770 1 82 71 GLU . 26770 1 83 72 ALA . 26770 1 84 73 PHE . 26770 1 85 74 CYS . 26770 1 86 75 LYS . 26770 1 87 76 ASP . 26770 1 88 77 ALA . 26770 1 89 78 PRO . 26770 1 90 79 ASP . 26770 1 91 80 ALA . 26770 1 92 81 ASP . 26770 1 93 82 GLU . 26770 1 94 83 CYS . 26770 1 95 84 ARG . 26770 1 96 85 VAL . 26770 1 97 86 TYR . 26770 1 98 87 GLU . 26770 1 99 88 ASP . 26770 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 . HIS 1 1 26770 1 . HIS 2 2 26770 1 . HIS 3 3 26770 1 . HIS 4 4 26770 1 . HIS 5 5 26770 1 . HIS 6 6 26770 1 . HIS 7 7 26770 1 . HIS 8 8 26770 1 . HIS 9 9 26770 1 . SER 10 10 26770 1 . SER 11 11 26770 1 . GLY 12 12 26770 1 . HIS 13 13 26770 1 . ILE 14 14 26770 1 . GLU 15 15 26770 1 . GLY 16 16 26770 1 . ARG 17 17 26770 1 . HIS 18 18 26770 1 . MET 19 19 26770 1 . SER 20 20 26770 1 . GLY 21 21 26770 1 . GLN 22 22 26770 1 . PRO 23 23 26770 1 . ALA 24 24 26770 1 . VAL 25 25 26770 1 . ASP 26 26 26770 1 . LEU 27 27 26770 1 . ASN 28 28 26770 1 . LYS 29 29 26770 1 . LYS 30 30 26770 1 . VAL 31 31 26770 1 . GLN 32 32 26770 1 . ASP 33 33 26770 1 . ALA 34 34 26770 1 . VAL 35 35 26770 1 . LYS 36 36 26770 1 . GLU 37 37 26770 1 . ALA 38 38 26770 1 . GLU 39 39 26770 1 . ASP 40 40 26770 1 . ALA 41 41 26770 1 . CYS 42 42 26770 1 . ALA 43 43 26770 1 . LYS 44 44 26770 1 . GLY 45 45 26770 1 . THR 46 46 26770 1 . SER 47 47 26770 1 . ALA 48 48 26770 1 . ASP 49 49 26770 1 . CYS 50 50 26770 1 . ALA 51 51 26770 1 . VAL 52 52 26770 1 . ALA 53 53 26770 1 . TRP 54 54 26770 1 . ASP 55 55 26770 1 . THR 56 56 26770 1 . VAL 57 57 26770 1 . GLU 58 58 26770 1 . GLU 59 59 26770 1 . LEU 60 60 26770 1 . SER 61 61 26770 1 . ALA 62 62 26770 1 . ALA 63 63 26770 1 . VAL 64 64 26770 1 . SER 65 65 26770 1 . HIS 66 66 26770 1 . LYS 67 67 26770 1 . LYS 68 68 26770 1 . ASP 69 69 26770 1 . ALA 70 70 26770 1 . VAL 71 71 26770 1 . LYS 72 72 26770 1 . ALA 73 73 26770 1 . ASP 74 74 26770 1 . VAL 75 75 26770 1 . THR 76 76 26770 1 . LEU 77 77 26770 1 . THR 78 78 26770 1 . ASP 79 79 26770 1 . PRO 80 80 26770 1 . LEU 81 81 26770 1 . GLU 82 82 26770 1 . ALA 83 83 26770 1 . PHE 84 84 26770 1 . CYS 85 85 26770 1 . LYS 86 86 26770 1 . ASP 87 87 26770 1 . ALA 88 88 26770 1 . PRO 89 89 26770 1 . ASP 90 90 26770 1 . ALA 91 91 26770 1 . ASP 92 92 26770 1 . GLU 93 93 26770 1 . CYS 94 94 26770 1 . ARG 95 95 26770 1 . VAL 96 96 26770 1 . TYR 97 97 26770 1 . GLU 98 98 26770 1 . ASP 99 99 26770 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 26770 _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 $CP12_reduced . 3055 organism . 'Chlamydomonas reinhardtii' 'green algae' . . Eukaryota Viridiplantae Chlamydomonas reinhardtii . . . . . . . . . . . 'CP12 protein' . 26770 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 26770 _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 $CP12_reduced . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEM-T . . . 26770 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26770 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM DTT' _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 'CP12 reduced' '[U-100% 13C; U-100% 15N]' . . 1 $CP12_reduced . . 770 . . uM . . . . 26770 1 2 DTT 'natural abundance' . . . . . . 20 . . mM . . . . 26770 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26770 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26770 1 5 'sodium azide' 'natural abundance' . . . . . . 2 . . % . . . . 26770 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 26770 _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 pH 6.5 . pH 26770 1 pressure 1 . atm 26770 1 temperature 273 . K 26770 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26770 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26770 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26770 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26770 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26770 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26770 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 26770 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26770 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26770 3 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 26770 _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 26770 _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 . . . 26770 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 26770 _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 . . . . . . . . . . . . . . . . 26770 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26770 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26770 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26770 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26770 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26770 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 26770 _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 water protons . . . . ppm 4.7 na indirect 0.25 . . . . . 26770 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 26770 1 N 15 water protons . . . . ppm 4.7 na indirect 0.10 . . . . . 26770 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 26770 _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' . . . 26770 1 2 '3D CBCA(CO)NH' . . . 26770 1 3 '3D HNCACB' . . . 26770 1 4 '3D HNCO' . . . 26770 1 5 '3D HCCH-TOCSY' . . . 26770 1 6 '3D HCACO' . . . 26770 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CcpNMR . . 26770 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 10 10 SER C C 13 174.841 . . . . . . . -9 SER C . 26770 1 2 . 1 1 10 10 SER CA C 13 58.638 . . . . . . . -9 SER CA . 26770 1 3 . 1 1 10 10 SER CB C 13 64.246 . . . . . . . -9 SER CB . 26770 1 4 . 1 1 11 11 SER H H 1 8.510 . . . . . . . -8 SER H . 26770 1 5 . 1 1 11 11 SER C C 13 175.216 . . . . . . . -8 SER C . 26770 1 6 . 1 1 11 11 SER CA C 13 59.089 . . . . . . . -8 SER CA . 26770 1 7 . 1 1 11 11 SER CB C 13 63.816 . . . . . . . -8 SER CB . 26770 1 8 . 1 1 11 11 SER N N 15 117.998 . . . . . . . -8 SER N . 26770 1 9 . 1 1 12 12 GLY H H 1 8.421 . . . . . . . -7 GLY H . 26770 1 10 . 1 1 12 12 GLY C C 13 173.997 . . . . . . . -7 GLY C . 26770 1 11 . 1 1 12 12 GLY CA C 13 45.342 . . . . . . . -7 GLY CA . 26770 1 12 . 1 1 12 12 GLY N N 15 110.426 . . . . . . . -7 GLY N . 26770 1 13 . 1 1 13 13 HIS H H 1 8.204 . . . . . . . -6 HIS H . 26770 1 14 . 1 1 13 13 HIS HA H 1 4.325 . . . . . . . -6 HIS HA . 26770 1 15 . 1 1 13 13 HIS C C 13 175.169 . . . . . . . -6 HIS C . 26770 1 16 . 1 1 13 13 HIS CA C 13 56.127 . . . . . . . -6 HIS CA . 26770 1 17 . 1 1 13 13 HIS CB C 13 30.302 . . . . . . . -6 HIS CB . 26770 1 18 . 1 1 13 13 HIS N N 15 119.469 . . . . . . . -6 HIS N . 26770 1 19 . 1 1 14 14 ILE H H 1 8.118 . . . . . . . -5 ILE H . 26770 1 20 . 1 1 14 14 ILE HA H 1 4.126 . . . . . . . -5 ILE HA . 26770 1 21 . 1 1 14 14 ILE HB H 1 1.769 . . . . . . . -5 ILE HB . 26770 1 22 . 1 1 14 14 ILE HG12 H 1 1.370 . . . . . . . -5 ILE HG12 . 26770 1 23 . 1 1 14 14 ILE HG13 H 1 1.370 . . . . . . . -5 ILE HG13 . 26770 1 24 . 1 1 14 14 ILE HG21 H 1 0.806 . . . . . . . -5 ILE HG21 . 26770 1 25 . 1 1 14 14 ILE HG22 H 1 0.806 . . . . . . . -5 ILE HG22 . 26770 1 26 . 1 1 14 14 ILE HG23 H 1 0.806 . . . . . . . -5 ILE HG23 . 26770 1 27 . 1 1 14 14 ILE HD11 H 1 0.806 . . . . . . . -5 ILE HD11 . 26770 1 28 . 1 1 14 14 ILE HD12 H 1 0.806 . . . . . . . -5 ILE HD12 . 26770 1 29 . 1 1 14 14 ILE HD13 H 1 0.806 . . . . . . . -5 ILE HD13 . 26770 1 30 . 1 1 14 14 ILE C C 13 176.200 . . . . . . . -5 ILE C . 26770 1 31 . 1 1 14 14 ILE CA C 13 61.216 . . . . . . . -5 ILE CA . 26770 1 32 . 1 1 14 14 ILE CB C 13 38.895 . . . . . . . -5 ILE CB . 26770 1 33 . 1 1 14 14 ILE N N 15 123.310 . . . . . . . -5 ILE N . 26770 1 34 . 1 1 15 15 GLU H H 1 8.567 . . . . . . . -4 GLU H . 26770 1 35 . 1 1 15 15 GLU HA H 1 4.259 . . . . . . . -4 GLU HA . 26770 1 36 . 1 1 15 15 GLU HB2 H 1 2.031 . . . . . . . -4 GLU HB2 . 26770 1 37 . 1 1 15 15 GLU HB3 H 1 1.935 . . . . . . . -4 GLU HB3 . 26770 1 38 . 1 1 15 15 GLU HG2 H 1 2.267 . . . . . . . -4 GLU HG2 . 26770 1 39 . 1 1 15 15 GLU HG3 H 1 2.267 . . . . . . . -4 GLU HG3 . 26770 1 40 . 1 1 15 15 GLU C C 13 177.091 . . . . . . . -4 GLU C . 26770 1 41 . 1 1 15 15 GLU CA C 13 56.958 . . . . . . . -4 GLU CA . 26770 1 42 . 1 1 15 15 GLU CB C 13 30.302 . . . . . . . -4 GLU CB . 26770 1 43 . 1 1 15 15 GLU N N 15 125.438 . . . . . . . -4 GLU N . 26770 1 44 . 1 1 16 16 GLY H H 1 8.440 . . . . . . . -3 GLY H . 26770 1 45 . 1 1 16 16 GLY HA2 H 1 3.927 . . . . . . . -3 GLY HA2 . 26770 1 46 . 1 1 16 16 GLY HA3 H 1 3.927 . . . . . . . -3 GLY HA3 . 26770 1 47 . 1 1 16 16 GLY C C 13 174.326 . . . . . . . -3 GLY C . 26770 1 48 . 1 1 16 16 GLY CA C 13 45.669 . . . . . . . -3 GLY CA . 26770 1 49 . 1 1 16 16 GLY N N 15 110.337 . . . . . . . -3 GLY N . 26770 1 50 . 1 1 17 17 ARG H H 1 8.130 . . . . . . . -2 ARG H . 26770 1 51 . 1 1 17 17 ARG HB2 H 1 1.702 . . . . . . . -2 ARG HB2 . 26770 1 52 . 1 1 17 17 ARG HB3 H 1 1.702 . . . . . . . -2 ARG HB3 . 26770 1 53 . 1 1 17 17 ARG HG2 H 1 1.503 . . . . . . . -2 ARG HG2 . 26770 1 54 . 1 1 17 17 ARG HG3 H 1 1.503 . . . . . . . -2 ARG HG3 . 26770 1 55 . 1 1 17 17 ARG HD2 H 1 3.130 . . . . . . . -2 ARG HD2 . 26770 1 56 . 1 1 17 17 ARG HD3 H 1 3.130 . . . . . . . -2 ARG HD3 . 26770 1 57 . 1 1 17 17 ARG C C 13 176.342 . . . . . . . -2 ARG C . 26770 1 58 . 1 1 17 17 ARG CA C 13 56.430 . . . . . . . -2 ARG CA . 26770 1 59 . 1 1 17 17 ARG CB C 13 30.733 . . . . . . . -2 ARG CB . 26770 1 60 . 1 1 17 17 ARG N N 15 120.271 . . . . . . . -2 ARG N . 26770 1 61 . 1 1 19 19 MET C C 13 176.294 . . . . . . . 0 MET C . 26770 1 62 . 1 1 19 19 MET CA C 13 55.653 . . . . . . . 0 MET CA . 26770 1 63 . 1 1 19 19 MET CB C 13 32.880 . . . . . . . 0 MET CB . 26770 1 64 . 1 1 20 20 SER H H 1 8.387 . . . . . . . 1 SER H . 26770 1 65 . 1 1 20 20 SER HA H 1 4.558 . . . . . . . 1 SER HA . 26770 1 66 . 1 1 20 20 SER HB2 H 1 3.894 . . . . . . . 1 SER HB2 . 26770 1 67 . 1 1 20 20 SER HB3 H 1 3.894 . . . . . . . 1 SER HB3 . 26770 1 68 . 1 1 20 20 SER C C 13 175.169 . . . . . . . 1 SER C . 26770 1 69 . 1 1 20 20 SER CA C 13 58.725 . . . . . . . 1 SER CA . 26770 1 70 . 1 1 20 20 SER CB C 13 64.246 . . . . . . . 1 SER CB . 26770 1 71 . 1 1 20 20 SER N N 15 117.106 . . . . . . . 1 SER N . 26770 1 72 . 1 1 21 21 GLY H H 1 8.473 . . . . . . . 2 GLY H . 26770 1 73 . 1 1 21 21 GLY HA2 H 1 3.960 . . . . . . . 2 GLY HA2 . 26770 1 74 . 1 1 21 21 GLY HA3 H 1 3.960 . . . . . . . 2 GLY HA3 . 26770 1 75 . 1 1 21 21 GLY C C 13 173.951 . . . . . . . 2 GLY C . 26770 1 76 . 1 1 21 21 GLY CA C 13 45.401 . . . . . . . 2 GLY CA . 26770 1 77 . 1 1 21 21 GLY N N 15 110.851 . . . . . . . 2 GLY N . 26770 1 78 . 1 1 22 22 GLN H H 1 8.167 . . . . . . . 3 GLN H . 26770 1 79 . 1 1 22 22 GLN HB2 H 1 1.935 . . . . . . . 3 GLN HB2 . 26770 1 80 . 1 1 22 22 GLN HB3 H 1 2.068 . . . . . . . 3 GLN HB3 . 26770 1 81 . 1 1 22 22 GLN HG2 H 1 2.366 . . . . . . . 3 GLN HG2 . 26770 1 82 . 1 1 22 22 GLN HG3 H 1 2.366 . . . . . . . 3 GLN HG3 . 26770 1 83 . 1 1 22 22 GLN C C 13 174.139 . . . . . . . 3 GLN C . 26770 1 84 . 1 1 22 22 GLN CA C 13 53.892 . . . . . . . 3 GLN CA . 26770 1 85 . 1 1 22 22 GLN CB C 13 29.012 . . . . . . . 3 GLN CB . 26770 1 86 . 1 1 22 22 GLN N N 15 120.674 . . . . . . . 3 GLN N . 26770 1 87 . 1 1 23 23 PRO C C 13 176.716 . . . . . . . 4 PRO C . 26770 1 88 . 1 1 23 23 PRO CA C 13 63.384 . . . . . . . 4 PRO CA . 26770 1 89 . 1 1 23 23 PRO CB C 13 32.449 . . . . . . . 4 PRO CB . 26770 1 90 . 1 1 24 24 ALA H H 1 8.386 . . . . . . . 5 ALA H . 26770 1 91 . 1 1 24 24 ALA HA H 1 4.325 . . . . . . . 5 ALA HA . 26770 1 92 . 1 1 24 24 ALA HB1 H 1 1.370 . . . . . . . 5 ALA HB1 . 26770 1 93 . 1 1 24 24 ALA HB2 H 1 1.370 . . . . . . . 5 ALA HB2 . 26770 1 94 . 1 1 24 24 ALA HB3 H 1 1.370 . . . . . . . 5 ALA HB3 . 26770 1 95 . 1 1 24 24 ALA C C 13 177.982 . . . . . . . 5 ALA C . 26770 1 96 . 1 1 24 24 ALA CA C 13 52.623 . . . . . . . 5 ALA CA . 26770 1 97 . 1 1 24 24 ALA CB C 13 19.130 . . . . . . . 5 ALA CB . 26770 1 98 . 1 1 24 24 ALA N N 15 124.522 . . . . . . . 5 ALA N . 26770 1 99 . 1 1 25 25 VAL H H 1 8.042 . . . . . . . 6 VAL H . 26770 1 100 . 1 1 25 25 VAL HA H 1 4.093 . . . . . . . 6 VAL HA . 26770 1 101 . 1 1 25 25 VAL HB H 1 2.034 . . . . . . . 6 VAL HB . 26770 1 102 . 1 1 25 25 VAL HG11 H 1 0.806 . . . . . . . 6 VAL HG11 . 26770 1 103 . 1 1 25 25 VAL HG12 H 1 0.806 . . . . . . . 6 VAL HG12 . 26770 1 104 . 1 1 25 25 VAL HG13 H 1 0.806 . . . . . . . 6 VAL HG13 . 26770 1 105 . 1 1 25 25 VAL HG21 H 1 0.905 . . . . . . . 6 VAL HG21 . 26770 1 106 . 1 1 25 25 VAL HG22 H 1 0.905 . . . . . . . 6 VAL HG22 . 26770 1 107 . 1 1 25 25 VAL HG23 H 1 0.905 . . . . . . . 6 VAL HG23 . 26770 1 108 . 1 1 25 25 VAL C C 13 175.825 . . . . . . . 6 VAL C . 26770 1 109 . 1 1 25 25 VAL CA C 13 62.485 . . . . . . . 6 VAL CA . 26770 1 110 . 1 1 25 25 VAL CB C 13 33.309 . . . . . . . 6 VAL CB . 26770 1 111 . 1 1 25 25 VAL N N 15 119.073 . . . . . . . 6 VAL N . 26770 1 112 . 1 1 26 26 ASP H H 1 8.349 . . . . . . . 7 ASP H . 26770 1 113 . 1 1 26 26 ASP HA H 1 4.624 . . . . . . . 7 ASP HA . 26770 1 114 . 1 1 26 26 ASP HB2 H 1 2.732 . . . . . . . 7 ASP HB2 . 26770 1 115 . 1 1 26 26 ASP HB3 H 1 2.566 . . . . . . . 7 ASP HB3 . 26770 1 116 . 1 1 26 26 ASP C C 13 176.763 . . . . . . . 7 ASP C . 26770 1 117 . 1 1 26 26 ASP CA C 13 54.263 . . . . . . . 7 ASP CA . 26770 1 118 . 1 1 26 26 ASP CB C 13 41.473 . . . . . . . 7 ASP CB . 26770 1 119 . 1 1 26 26 ASP N N 15 123.889 . . . . . . . 7 ASP N . 26770 1 120 . 1 1 27 27 LEU H H 1 8.303 . . . . . . . 8 LEU H . 26770 1 121 . 1 1 27 27 LEU HA H 1 4.226 . . . . . . . 8 LEU HA . 26770 1 122 . 1 1 27 27 LEU HB2 H 1 1.636 . . . . . . . 8 LEU HB2 . 26770 1 123 . 1 1 27 27 LEU HB3 H 1 1.636 . . . . . . . 8 LEU HB3 . 26770 1 124 . 1 1 27 27 LEU HG H 1 1.636 . . . . . . . 8 LEU HG . 26770 1 125 . 1 1 27 27 LEU HD11 H 1 0.872 . . . . . . . 8 LEU HD11 . 26770 1 126 . 1 1 27 27 LEU HD12 H 1 0.872 . . . . . . . 8 LEU HD12 . 26770 1 127 . 1 1 27 27 LEU HD13 H 1 0.872 . . . . . . . 8 LEU HD13 . 26770 1 128 . 1 1 27 27 LEU HD21 H 1 0.872 . . . . . . . 8 LEU HD21 . 26770 1 129 . 1 1 27 27 LEU HD22 H 1 0.872 . . . . . . . 8 LEU HD22 . 26770 1 130 . 1 1 27 27 LEU HD23 H 1 0.872 . . . . . . . 8 LEU HD23 . 26770 1 131 . 1 1 27 27 LEU C C 13 177.794 . . . . . . . 8 LEU C . 26770 1 132 . 1 1 27 27 LEU CA C 13 56.060 . . . . . . . 8 LEU CA . 26770 1 133 . 1 1 27 27 LEU CB C 13 42.333 . . . . . . . 8 LEU CB . 26770 1 134 . 1 1 27 27 LEU N N 15 123.860 . . . . . . . 8 LEU N . 26770 1 135 . 1 1 28 28 ASN H H 1 8.421 . . . . . . . 9 ASN H . 26770 1 136 . 1 1 28 28 ASN HA H 1 4.690 . . . . . . . 9 ASN HA . 26770 1 137 . 1 1 28 28 ASN HB2 H 1 2.798 . . . . . . . 9 ASN HB2 . 26770 1 138 . 1 1 28 28 ASN HB3 H 1 2.798 . . . . . . . 9 ASN HB3 . 26770 1 139 . 1 1 28 28 ASN C C 13 175.544 . . . . . . . 9 ASN C . 26770 1 140 . 1 1 28 28 ASN CA C 13 53.892 . . . . . . . 9 ASN CA . 26770 1 141 . 1 1 28 28 ASN CB C 13 38.895 . . . . . . . 9 ASN CB . 26770 1 142 . 1 1 28 28 ASN N N 15 118.044 . . . . . . . 9 ASN N . 26770 1 143 . 1 1 29 29 LYS H H 1 7.919 . . . . . . . 10 LYS H . 26770 1 144 . 1 1 29 29 LYS HB2 H 1 1.835 . . . . . . . 10 LYS HB2 . 26770 1 145 . 1 1 29 29 LYS HB3 H 1 1.835 . . . . . . . 10 LYS HB3 . 26770 1 146 . 1 1 29 29 LYS HG2 H 1 1.403 . . . . . . . 10 LYS HG2 . 26770 1 147 . 1 1 29 29 LYS HG3 H 1 1.403 . . . . . . . 10 LYS HG3 . 26770 1 148 . 1 1 29 29 LYS HD2 H 1 1.736 . . . . . . . 10 LYS HD2 . 26770 1 149 . 1 1 29 29 LYS HD3 H 1 1.736 . . . . . . . 10 LYS HD3 . 26770 1 150 . 1 1 29 29 LYS HE2 H 1 2.997 . . . . . . . 10 LYS HE2 . 26770 1 151 . 1 1 29 29 LYS HE3 H 1 2.997 . . . . . . . 10 LYS HE3 . 26770 1 152 . 1 1 29 29 LYS C C 13 176.622 . . . . . . . 10 LYS C . 26770 1 153 . 1 1 29 29 LYS CA C 13 56.880 . . . . . . . 10 LYS CA . 26770 1 154 . 1 1 29 29 LYS CB C 13 32.880 . . . . . . . 10 LYS CB . 26770 1 155 . 1 1 29 29 LYS N N 15 121.227 . . . . . . . 10 LYS N . 26770 1 156 . 1 1 30 30 LYS H H 1 8.242 . . . . . . . 11 LYS H . 26770 1 157 . 1 1 30 30 LYS HA H 1 4.325 . . . . . . . 11 LYS HA . 26770 1 158 . 1 1 30 30 LYS HB2 H 1 1.802 . . . . . . . 11 LYS HB2 . 26770 1 159 . 1 1 30 30 LYS HB3 H 1 1.802 . . . . . . . 11 LYS HB3 . 26770 1 160 . 1 1 30 30 LYS HG2 H 1 1.403 . . . . . . . 11 LYS HG2 . 26770 1 161 . 1 1 30 30 LYS HG3 H 1 1.403 . . . . . . . 11 LYS HG3 . 26770 1 162 . 1 1 30 30 LYS HD2 H 1 1.685 . . . . . . . 11 LYS HD2 . 26770 1 163 . 1 1 30 30 LYS HD3 H 1 1.685 . . . . . . . 11 LYS HD3 . 26770 1 164 . 1 1 30 30 LYS HE2 H 1 2.997 . . . . . . . 11 LYS HE2 . 26770 1 165 . 1 1 30 30 LYS HE3 H 1 2.997 . . . . . . . 11 LYS HE3 . 26770 1 166 . 1 1 30 30 LYS C C 13 177.138 . . . . . . . 11 LYS C . 26770 1 167 . 1 1 30 30 LYS CA C 13 56.880 . . . . . . . 11 LYS CA . 26770 1 168 . 1 1 30 30 LYS CB C 13 32.880 . . . . . . . 11 LYS CB . 26770 1 169 . 1 1 30 30 LYS N N 15 122.584 . . . . . . . 11 LYS N . 26770 1 170 . 1 1 31 31 VAL H H 1 8.117 . . . . . . . 12 VAL H . 26770 1 171 . 1 1 31 31 VAL HA H 1 4.060 . . . . . . . 12 VAL HA . 26770 1 172 . 1 1 31 31 VAL HB H 1 2.068 . . . . . . . 12 VAL HB . 26770 1 173 . 1 1 31 31 VAL HG11 H 1 0.939 . . . . . . . 12 VAL HG11 . 26770 1 174 . 1 1 31 31 VAL HG12 H 1 0.939 . . . . . . . 12 VAL HG12 . 26770 1 175 . 1 1 31 31 VAL HG13 H 1 0.939 . . . . . . . 12 VAL HG13 . 26770 1 176 . 1 1 31 31 VAL HG21 H 1 0.939 . . . . . . . 12 VAL HG21 . 26770 1 177 . 1 1 31 31 VAL HG22 H 1 0.939 . . . . . . . 12 VAL HG22 . 26770 1 178 . 1 1 31 31 VAL HG23 H 1 0.939 . . . . . . . 12 VAL HG23 . 26770 1 179 . 1 1 31 31 VAL C C 13 176.529 . . . . . . . 12 VAL C . 26770 1 180 . 1 1 31 31 VAL CA C 13 62.935 . . . . . . . 12 VAL CA . 26770 1 181 . 1 1 31 31 VAL CB C 13 32.879 . . . . . . . 12 VAL CB . 26770 1 182 . 1 1 31 31 VAL N N 15 121.664 . . . . . . . 12 VAL N . 26770 1 183 . 1 1 32 32 GLN H H 1 8.423 . . . . . . . 13 GLN H . 26770 1 184 . 1 1 32 32 GLN HA H 1 4.325 . . . . . . . 13 GLN HA . 26770 1 185 . 1 1 32 32 GLN HB2 H 1 2.001 . . . . . . . 13 GLN HB2 . 26770 1 186 . 1 1 32 32 GLN HB3 H 1 2.101 . . . . . . . 13 GLN HB3 . 26770 1 187 . 1 1 32 32 GLN HG2 H 1 2.366 . . . . . . . 13 GLN HG2 . 26770 1 188 . 1 1 32 32 GLN HG3 H 1 2.366 . . . . . . . 13 GLN HG3 . 26770 1 189 . 1 1 32 32 GLN C C 13 176.107 . . . . . . . 13 GLN C . 26770 1 190 . 1 1 32 32 GLN CA C 13 56.471 . . . . . . . 13 GLN CA . 26770 1 191 . 1 1 32 32 GLN CB C 13 29.443 . . . . . . . 13 GLN CB . 26770 1 192 . 1 1 32 32 GLN N N 15 123.629 . . . . . . . 13 GLN N . 26770 1 193 . 1 1 33 33 ASP H H 1 8.348 . . . . . . . 14 ASP H . 26770 1 194 . 1 1 33 33 ASP HA H 1 4.558 . . . . . . . 14 ASP HA . 26770 1 195 . 1 1 33 33 ASP HB2 H 1 2.698 . . . . . . . 14 ASP HB2 . 26770 1 196 . 1 1 33 33 ASP HB3 H 1 2.599 . . . . . . . 14 ASP HB3 . 26770 1 197 . 1 1 33 33 ASP C C 13 176.248 . . . . . . . 14 ASP C . 26770 1 198 . 1 1 33 33 ASP CA C 13 54.792 . . . . . . . 14 ASP CA . 26770 1 199 . 1 1 33 33 ASP CB C 13 41.473 . . . . . . . 14 ASP CB . 26770 1 200 . 1 1 33 33 ASP N N 15 121.952 . . . . . . . 14 ASP N . 26770 1 201 . 1 1 34 34 ALA H H 1 8.168 . . . . . . . 15 ALA H . 26770 1 202 . 1 1 34 34 ALA HB1 H 1 1.271 . . . . . . . 15 ALA HB1 . 26770 1 203 . 1 1 34 34 ALA HB2 H 1 1.271 . . . . . . . 15 ALA HB2 . 26770 1 204 . 1 1 34 34 ALA HB3 H 1 1.271 . . . . . . . 15 ALA HB3 . 26770 1 205 . 1 1 34 34 ALA C C 13 178.357 . . . . . . . 15 ALA C . 26770 1 206 . 1 1 34 34 ALA CA C 13 53.072 . . . . . . . 15 ALA CA . 26770 1 207 . 1 1 34 34 ALA CB C 13 19.129 . . . . . . . 15 ALA CB . 26770 1 208 . 1 1 34 34 ALA N N 15 124.123 . . . . . . . 15 ALA N . 26770 1 209 . 1 1 35 35 VAL H H 1 8.062 . . . . . . . 16 VAL H . 26770 1 210 . 1 1 35 35 VAL C C 13 176.716 . . . . . . . 16 VAL C . 26770 1 211 . 1 1 35 35 VAL CA C 13 63.306 . . . . . . . 16 VAL CA . 26770 1 212 . 1 1 35 35 VAL CB C 13 32.450 . . . . . . . 16 VAL CB . 26770 1 213 . 1 1 35 35 VAL N N 15 119.841 . . . . . . . 16 VAL N . 26770 1 214 . 1 1 36 36 LYS H H 1 8.224 . . . . . . . 17 LYS H . 26770 1 215 . 1 1 36 36 LYS HA H 1 4.292 . . . . . . . 17 LYS HA . 26770 1 216 . 1 1 36 36 LYS HB2 H 1 1.802 . . . . . . . 17 LYS HB2 . 26770 1 217 . 1 1 36 36 LYS HB3 H 1 1.802 . . . . . . . 17 LYS HB3 . 26770 1 218 . 1 1 36 36 LYS HG2 H 1 1.437 . . . . . . . 17 LYS HG2 . 26770 1 219 . 1 1 36 36 LYS HG3 H 1 1.437 . . . . . . . 17 LYS HG3 . 26770 1 220 . 1 1 36 36 LYS HE2 H 1 2.997 . . . . . . . 17 LYS HE2 . 26770 1 221 . 1 1 36 36 LYS HE3 H 1 2.997 . . . . . . . 17 LYS HE3 . 26770 1 222 . 1 1 36 36 LYS C C 13 177.044 . . . . . . . 17 LYS C . 26770 1 223 . 1 1 36 36 LYS CA C 13 56.880 . . . . . . . 17 LYS CA . 26770 1 224 . 1 1 36 36 LYS CB C 13 33.309 . . . . . . . 17 LYS CB . 26770 1 225 . 1 1 36 36 LYS N N 15 124.821 . . . . . . . 17 LYS N . 26770 1 226 . 1 1 37 37 GLU H H 1 8.405 . . . . . . . 18 GLU H . 26770 1 227 . 1 1 37 37 GLU HA H 1 4.226 . . . . . . . 18 GLU HA . 26770 1 228 . 1 1 37 37 GLU HB2 H 1 1.935 . . . . . . . 18 GLU HB2 . 26770 1 229 . 1 1 37 37 GLU HB3 H 1 1.935 . . . . . . . 18 GLU HB3 . 26770 1 230 . 1 1 37 37 GLU HG2 H 1 2.300 . . . . . . . 18 GLU HG2 . 26770 1 231 . 1 1 37 37 GLU HG3 H 1 2.300 . . . . . . . 18 GLU HG3 . 26770 1 232 . 1 1 37 37 GLU C C 13 176.810 . . . . . . . 18 GLU C . 26770 1 233 . 1 1 37 37 GLU CA C 13 57.351 . . . . . . . 18 GLU CA . 26770 1 234 . 1 1 37 37 GLU CB C 13 30.301 . . . . . . . 18 GLU CB . 26770 1 235 . 1 1 37 37 GLU N N 15 121.992 . . . . . . . 18 GLU N . 26770 1 236 . 1 1 38 38 ALA H H 1 8.205 . . . . . . . 19 ALA H . 26770 1 237 . 1 1 38 38 ALA C C 13 178.404 . . . . . . . 19 ALA C . 26770 1 238 . 1 1 38 38 ALA CA C 13 53.072 . . . . . . . 19 ALA CA . 26770 1 239 . 1 1 38 38 ALA CB C 13 19.560 . . . . . . . 19 ALA CB . 26770 1 240 . 1 1 38 38 ALA N N 15 123.988 . . . . . . . 19 ALA N . 26770 1 241 . 1 1 39 39 GLU H H 1 8.351 . . . . . . . 20 GLU H . 26770 1 242 . 1 1 39 39 GLU HA H 1 4.227 . . . . . . . 20 GLU HA . 26770 1 243 . 1 1 39 39 GLU HB2 H 1 1.981 . . . . . . . 20 GLU HB2 . 26770 1 244 . 1 1 39 39 GLU HB3 H 1 1.981 . . . . . . . 20 GLU HB3 . 26770 1 245 . 1 1 39 39 GLU HG2 H 1 2.273 . . . . . . . 20 GLU HG2 . 26770 1 246 . 1 1 39 39 GLU HG3 H 1 2.273 . . . . . . . 20 GLU HG3 . 26770 1 247 . 1 1 39 39 GLU C C 13 176.998 . . . . . . . 20 GLU C . 26770 1 248 . 1 1 39 39 GLU CA C 13 57.329 . . . . . . . 20 GLU CA . 26770 1 249 . 1 1 39 39 GLU CB C 13 30.301 . . . . . . . 20 GLU CB . 26770 1 250 . 1 1 39 39 GLU N N 15 120.310 . . . . . . . 20 GLU N . 26770 1 251 . 1 1 40 40 ASP H H 1 8.347 . . . . . . . 21 ASP H . 26770 1 252 . 1 1 40 40 ASP HA H 1 4.591 . . . . . . . 21 ASP HA . 26770 1 253 . 1 1 40 40 ASP HB2 H 1 2.665 . . . . . . . 21 ASP HB2 . 26770 1 254 . 1 1 40 40 ASP HB3 H 1 2.665 . . . . . . . 21 ASP HB3 . 26770 1 255 . 1 1 40 40 ASP C C 13 176.763 . . . . . . . 21 ASP C . 26770 1 256 . 1 1 40 40 ASP CA C 13 54.795 . . . . . . . 21 ASP CA . 26770 1 257 . 1 1 40 40 ASP CB C 13 41.472 . . . . . . . 21 ASP CB . 26770 1 258 . 1 1 40 40 ASP N N 15 121.059 . . . . . . . 21 ASP N . 26770 1 259 . 1 1 41 41 ALA H H 1 8.187 . . . . . . . 22 ALA H . 26770 1 260 . 1 1 41 41 ALA C C 13 178.498 . . . . . . . 22 ALA C . 26770 1 261 . 1 1 41 41 ALA CA C 13 53.455 . . . . . . . 22 ALA CA . 26770 1 262 . 1 1 41 41 ALA CB C 13 19.131 . . . . . . . 22 ALA CB . 26770 1 263 . 1 1 41 41 ALA N N 15 124.048 . . . . . . . 22 ALA N . 26770 1 264 . 1 1 42 42 CYS H H 1 8.206 . . . . . . . 23 CYS H . 26770 1 265 . 1 1 42 42 CYS HA H 1 4.425 . . . . . . . 23 CYS HA . 26770 1 266 . 1 1 42 42 CYS HB2 H 1 2.964 . . . . . . . 23 CYS HB2 . 26770 1 267 . 1 1 42 42 CYS HB3 H 1 2.964 . . . . . . . 23 CYS HB3 . 26770 1 268 . 1 1 42 42 CYS C C 13 174.982 . . . . . . . 23 CYS C . 26770 1 269 . 1 1 42 42 CYS CA C 13 59.128 . . . . . . . 23 CYS CA . 26770 1 270 . 1 1 42 42 CYS CB C 13 27.722 . . . . . . . 23 CYS CB . 26770 1 271 . 1 1 42 42 CYS N N 15 117.325 . . . . . . . 23 CYS N . 26770 1 272 . 1 1 43 43 ALA H H 1 8.169 . . . . . . . 24 ALA H . 26770 1 273 . 1 1 43 43 ALA HA H 1 4.325 . . . . . . . 24 ALA HA . 26770 1 274 . 1 1 43 43 ALA HB1 H 1 1.404 . . . . . . . 24 ALA HB1 . 26770 1 275 . 1 1 43 43 ALA HB2 H 1 1.404 . . . . . . . 24 ALA HB2 . 26770 1 276 . 1 1 43 43 ALA HB3 H 1 1.404 . . . . . . . 24 ALA HB3 . 26770 1 277 . 1 1 43 43 ALA C C 13 178.076 . . . . . . . 24 ALA C . 26770 1 278 . 1 1 43 43 ALA CA C 13 53.072 . . . . . . . 24 ALA CA . 26770 1 279 . 1 1 43 43 ALA CB C 13 19.131 . . . . . . . 24 ALA CB . 26770 1 280 . 1 1 43 43 ALA N N 15 125.596 . . . . . . . 24 ALA N . 26770 1 281 . 1 1 44 44 LYS H H 1 8.205 . . . . . . . 25 LYS H . 26770 1 282 . 1 1 44 44 LYS HA H 1 4.325 . . . . . . . 25 LYS HA . 26770 1 283 . 1 1 44 44 LYS HB2 H 1 1.780 . . . . . . . 25 LYS HB2 . 26770 1 284 . 1 1 44 44 LYS HB3 H 1 1.780 . . . . . . . 25 LYS HB3 . 26770 1 285 . 1 1 44 44 LYS HG2 H 1 1.455 . . . . . . . 25 LYS HG2 . 26770 1 286 . 1 1 44 44 LYS HG3 H 1 1.455 . . . . . . . 25 LYS HG3 . 26770 1 287 . 1 1 44 44 LYS HE2 H 1 2.997 . . . . . . . 25 LYS HE2 . 26770 1 288 . 1 1 44 44 LYS HE3 H 1 2.997 . . . . . . . 25 LYS HE3 . 26770 1 289 . 1 1 44 44 LYS C C 13 177.466 . . . . . . . 25 LYS C . 26770 1 290 . 1 1 44 44 LYS CA C 13 56.803 . . . . . . . 25 LYS CA . 26770 1 291 . 1 1 44 44 LYS CB C 13 33.309 . . . . . . . 25 LYS CB . 26770 1 292 . 1 1 44 44 LYS N N 15 120.259 . . . . . . . 25 LYS N . 26770 1 293 . 1 1 45 45 GLY H H 1 8.366 . . . . . . . 26 GLY H . 26770 1 294 . 1 1 45 45 GLY HA2 H 1 4.027 . . . . . . . 26 GLY HA2 . 26770 1 295 . 1 1 45 45 GLY HA3 H 1 4.027 . . . . . . . 26 GLY HA3 . 26770 1 296 . 1 1 45 45 GLY C C 13 174.607 . . . . . . . 26 GLY C . 26770 1 297 . 1 1 45 45 GLY CA C 13 45.455 . . . . . . . 26 GLY CA . 26770 1 298 . 1 1 45 45 GLY N N 15 109.695 . . . . . . . 26 GLY N . 26770 1 299 . 1 1 46 46 THR H H 1 8.099 . . . . . . . 27 THR H . 26770 1 300 . 1 1 46 46 THR HA H 1 4.443 . . . . . . . 27 THR HA . 26770 1 301 . 1 1 46 46 THR HB H 1 4.296 . . . . . . . 27 THR HB . 26770 1 302 . 1 1 46 46 THR HG21 H 1 1.198 . . . . . . . 27 THR HG21 . 26770 1 303 . 1 1 46 46 THR HG22 H 1 1.198 . . . . . . . 27 THR HG22 . 26770 1 304 . 1 1 46 46 THR HG23 H 1 1.198 . . . . . . . 27 THR HG23 . 26770 1 305 . 1 1 46 46 THR C C 13 175.029 . . . . . . . 27 THR C . 26770 1 306 . 1 1 46 46 THR CA C 13 61.759 . . . . . . . 27 THR CA . 26770 1 307 . 1 1 46 46 THR CB C 13 70.263 . . . . . . . 27 THR CB . 26770 1 308 . 1 1 46 46 THR N N 15 113.171 . . . . . . . 27 THR N . 26770 1 309 . 1 1 47 47 SER H H 1 8.368 . . . . . . . 28 SER H . 26770 1 310 . 1 1 47 47 SER HA H 1 4.491 . . . . . . . 28 SER HA . 26770 1 311 . 1 1 47 47 SER HB2 H 1 3.894 . . . . . . . 28 SER HB2 . 26770 1 312 . 1 1 47 47 SER HB3 H 1 3.894 . . . . . . . 28 SER HB3 . 26770 1 313 . 1 1 47 47 SER C C 13 174.701 . . . . . . . 28 SER C . 26770 1 314 . 1 1 47 47 SER CA C 13 58.677 . . . . . . . 28 SER CA . 26770 1 315 . 1 1 47 47 SER CB C 13 64.247 . . . . . . . 28 SER CB . 26770 1 316 . 1 1 47 47 SER N N 15 118.073 . . . . . . . 28 SER N . 26770 1 317 . 1 1 48 48 ALA H H 1 8.369 . . . . . . . 29 ALA H . 26770 1 318 . 1 1 48 48 ALA HA H 1 4.325 . . . . . . . 29 ALA HA . 26770 1 319 . 1 1 48 48 ALA HB1 H 1 1.404 . . . . . . . 29 ALA HB1 . 26770 1 320 . 1 1 48 48 ALA HB2 H 1 1.404 . . . . . . . 29 ALA HB2 . 26770 1 321 . 1 1 48 48 ALA HB3 H 1 1.404 . . . . . . . 29 ALA HB3 . 26770 1 322 . 1 1 48 48 ALA C C 13 177.792 . . . . . . . 29 ALA C . 26770 1 323 . 1 1 48 48 ALA CA C 13 53.071 . . . . . . . 29 ALA CA . 26770 1 324 . 1 1 48 48 ALA CB C 13 19.559 . . . . . . . 29 ALA CB . 26770 1 325 . 1 1 48 48 ALA N N 15 125.885 . . . . . . . 29 ALA N . 26770 1 326 . 1 1 49 49 ASP H H 1 8.223 . . . . . . . 30 ASP H . 26770 1 327 . 1 1 49 49 ASP HA H 1 4.591 . . . . . . . 30 ASP HA . 26770 1 328 . 1 1 49 49 ASP HB2 H 1 2.632 . . . . . . . 30 ASP HB2 . 26770 1 329 . 1 1 49 49 ASP HB3 H 1 2.732 . . . . . . . 30 ASP HB3 . 26770 1 330 . 1 1 49 49 ASP C C 13 176.435 . . . . . . . 30 ASP C . 26770 1 331 . 1 1 49 49 ASP CA C 13 54.791 . . . . . . . 30 ASP CA . 26770 1 332 . 1 1 49 49 ASP CB C 13 41.044 . . . . . . . 30 ASP CB . 26770 1 333 . 1 1 49 49 ASP N N 15 118.993 . . . . . . . 30 ASP N . 26770 1 334 . 1 1 50 50 CYS H H 1 8.098 . . . . . . . 31 CYS H . 26770 1 335 . 1 1 50 50 CYS HA H 1 4.491 . . . . . . . 31 CYS HA . 26770 1 336 . 1 1 50 50 CYS HB2 H 1 2.931 . . . . . . . 31 CYS HB2 . 26770 1 337 . 1 1 50 50 CYS HB3 H 1 2.931 . . . . . . . 31 CYS HB3 . 26770 1 338 . 1 1 50 50 CYS C C 13 174.372 . . . . . . . 31 CYS C . 26770 1 339 . 1 1 50 50 CYS CA C 13 58.677 . . . . . . . 31 CYS CA . 26770 1 340 . 1 1 50 50 CYS CB C 13 28.154 . . . . . . . 31 CYS CB . 26770 1 341 . 1 1 50 50 CYS N N 15 119.084 . . . . . . . 31 CYS N . 26770 1 342 . 1 1 51 51 ALA H H 1 8.278 . . . . . . . 32 ALA H . 26770 1 343 . 1 1 51 51 ALA HA H 1 4.325 . . . . . . . 32 ALA HA . 26770 1 344 . 1 1 51 51 ALA HB1 H 1 1.370 . . . . . . . 32 ALA HB1 . 26770 1 345 . 1 1 51 51 ALA HB2 H 1 1.370 . . . . . . . 32 ALA HB2 . 26770 1 346 . 1 1 51 51 ALA HB3 H 1 1.370 . . . . . . . 32 ALA HB3 . 26770 1 347 . 1 1 51 51 ALA C C 13 177.700 . . . . . . . 32 ALA C . 26770 1 348 . 1 1 51 51 ALA CA C 13 52.980 . . . . . . . 32 ALA CA . 26770 1 349 . 1 1 51 51 ALA CB C 13 19.560 . . . . . . . 32 ALA CB . 26770 1 350 . 1 1 51 51 ALA N N 15 126.316 . . . . . . . 32 ALA N . 26770 1 351 . 1 1 52 52 VAL H H 1 7.935 . . . . . . . 33 VAL H . 26770 1 352 . 1 1 52 52 VAL HA H 1 3.994 . . . . . . . 33 VAL HA . 26770 1 353 . 1 1 52 52 VAL HB H 1 1.868 . . . . . . . 33 VAL HB . 26770 1 354 . 1 1 52 52 VAL HG11 H 1 0.806 . . . . . . . 33 VAL HG11 . 26770 1 355 . 1 1 52 52 VAL HG12 H 1 0.806 . . . . . . . 33 VAL HG12 . 26770 1 356 . 1 1 52 52 VAL HG13 H 1 0.806 . . . . . . . 33 VAL HG13 . 26770 1 357 . 1 1 52 52 VAL HG21 H 1 0.706 . . . . . . . 33 VAL HG21 . 26770 1 358 . 1 1 52 52 VAL HG22 H 1 0.706 . . . . . . . 33 VAL HG22 . 26770 1 359 . 1 1 52 52 VAL HG23 H 1 0.706 . . . . . . . 33 VAL HG23 . 26770 1 360 . 1 1 52 52 VAL C C 13 175.779 . . . . . . . 33 VAL C . 26770 1 361 . 1 1 52 52 VAL CA C 13 62.115 . . . . . . . 33 VAL CA . 26770 1 362 . 1 1 52 52 VAL CB C 13 32.879 . . . . . . . 33 VAL CB . 26770 1 363 . 1 1 52 52 VAL N N 15 118.997 . . . . . . . 33 VAL N . 26770 1 364 . 1 1 53 53 ALA H H 1 8.167 . . . . . . . 34 ALA H . 26770 1 365 . 1 1 53 53 ALA HA H 1 4.325 . . . . . . . 34 ALA HA . 26770 1 366 . 1 1 53 53 ALA HB1 H 1 1.304 . . . . . . . 34 ALA HB1 . 26770 1 367 . 1 1 53 53 ALA HB2 H 1 1.304 . . . . . . . 34 ALA HB2 . 26770 1 368 . 1 1 53 53 ALA HB3 H 1 1.304 . . . . . . . 34 ALA HB3 . 26770 1 369 . 1 1 53 53 ALA C C 13 177.467 . . . . . . . 34 ALA C . 26770 1 370 . 1 1 53 53 ALA CA C 13 52.252 . . . . . . . 34 ALA CA . 26770 1 371 . 1 1 53 53 ALA CB C 13 19.561 . . . . . . . 34 ALA CB . 26770 1 372 . 1 1 53 53 ALA N N 15 127.499 . . . . . . . 34 ALA N . 26770 1 373 . 1 1 54 54 TRP H H 1 7.986 . . . . . . . 35 TRP H . 26770 1 374 . 1 1 54 54 TRP HA H 1 4.691 . . . . . . . 35 TRP HA . 26770 1 375 . 1 1 54 54 TRP HB2 H 1 3.230 . . . . . . . 35 TRP HB2 . 26770 1 376 . 1 1 54 54 TRP HB3 H 1 3.329 . . . . . . . 35 TRP HB3 . 26770 1 377 . 1 1 54 54 TRP C C 13 176.107 . . . . . . . 35 TRP C . 26770 1 378 . 1 1 54 54 TRP CA C 13 57.352 . . . . . . . 35 TRP CA . 26770 1 379 . 1 1 54 54 TRP CB C 13 29.872 . . . . . . . 35 TRP CB . 26770 1 380 . 1 1 54 54 TRP N N 15 120.624 . . . . . . . 35 TRP N . 26770 1 381 . 1 1 54 54 TRP NE1 N 15 129.442 . . . . . . . 35 TRP NE1 . 26770 1 382 . 1 1 55 55 ASP H H 1 8.260 . . . . . . . 36 ASP H . 26770 1 383 . 1 1 55 55 ASP HA H 1 4.359 . . . . . . . 36 ASP HA . 26770 1 384 . 1 1 55 55 ASP C C 13 176.435 . . . . . . . 36 ASP C . 26770 1 385 . 1 1 55 55 ASP CA C 13 54.409 . . . . . . . 36 ASP CA . 26770 1 386 . 1 1 55 55 ASP CB C 13 41.044 . . . . . . . 36 ASP CB . 26770 1 387 . 1 1 55 55 ASP N N 15 120.947 . . . . . . . 36 ASP N . 26770 1 388 . 1 1 56 56 THR H H 1 7.936 . . . . . . . 37 THR H . 26770 1 389 . 1 1 56 56 THR HA H 1 4.425 . . . . . . . 37 THR HA . 26770 1 390 . 1 1 56 56 THR HB H 1 4.325 . . . . . . . 37 THR HB . 26770 1 391 . 1 1 56 56 THR HG21 H 1 1.171 . . . . . . . 37 THR HG21 . 26770 1 392 . 1 1 56 56 THR HG22 H 1 1.171 . . . . . . . 37 THR HG22 . 26770 1 393 . 1 1 56 56 THR HG23 H 1 1.171 . . . . . . . 37 THR HG23 . 26770 1 394 . 1 1 56 56 THR C C 13 174.794 . . . . . . . 37 THR C . 26770 1 395 . 1 1 56 56 THR CA C 13 62.115 . . . . . . . 37 THR CA . 26770 1 396 . 1 1 56 56 THR CB C 13 70.262 . . . . . . . 37 THR CB . 26770 1 397 . 1 1 56 56 THR N N 15 114.061 . . . . . . . 37 THR N . 26770 1 398 . 1 1 57 57 VAL H H 1 8.115 . . . . . . . 38 VAL H . 26770 1 399 . 1 1 57 57 VAL HA H 1 4.060 . . . . . . . 38 VAL HA . 26770 1 400 . 1 1 57 57 VAL HB H 1 2.101 . . . . . . . 38 VAL HB . 26770 1 401 . 1 1 57 57 VAL HG11 H 1 0.906 . . . . . . . 38 VAL HG11 . 26770 1 402 . 1 1 57 57 VAL HG12 H 1 0.906 . . . . . . . 38 VAL HG12 . 26770 1 403 . 1 1 57 57 VAL HG13 H 1 0.906 . . . . . . . 38 VAL HG13 . 26770 1 404 . 1 1 57 57 VAL HG21 H 1 0.906 . . . . . . . 38 VAL HG21 . 26770 1 405 . 1 1 57 57 VAL HG22 H 1 0.906 . . . . . . . 38 VAL HG22 . 26770 1 406 . 1 1 57 57 VAL HG23 H 1 0.906 . . . . . . . 38 VAL HG23 . 26770 1 407 . 1 1 57 57 VAL C C 13 176.668 . . . . . . . 38 VAL C . 26770 1 408 . 1 1 57 57 VAL CA C 13 62.960 . . . . . . . 38 VAL CA . 26770 1 409 . 1 1 57 57 VAL CB C 13 32.881 . . . . . . . 38 VAL CB . 26770 1 410 . 1 1 57 57 VAL N N 15 122.349 . . . . . . . 38 VAL N . 26770 1 411 . 1 1 58 58 GLU H H 1 8.441 . . . . . . . 39 GLU H . 26770 1 412 . 1 1 58 58 GLU HA H 1 4.226 . . . . . . . 39 GLU HA . 26770 1 413 . 1 1 58 58 GLU HB2 H 1 1.902 . . . . . . . 39 GLU HB2 . 26770 1 414 . 1 1 58 58 GLU HB3 H 1 1.902 . . . . . . . 39 GLU HB3 . 26770 1 415 . 1 1 58 58 GLU HG2 H 1 2.234 . . . . . . . 39 GLU HG2 . 26770 1 416 . 1 1 58 58 GLU HG3 H 1 2.234 . . . . . . . 39 GLU HG3 . 26770 1 417 . 1 1 58 58 GLU C C 13 176.904 . . . . . . . 39 GLU C . 26770 1 418 . 1 1 58 58 GLU CA C 13 57.227 . . . . . . . 39 GLU CA . 26770 1 419 . 1 1 58 58 GLU CB C 13 30.302 . . . . . . . 39 GLU CB . 26770 1 420 . 1 1 58 58 GLU N N 15 124.546 . . . . . . . 39 GLU N . 26770 1 421 . 1 1 59 59 GLU H H 1 8.367 . . . . . . . 40 GLU H . 26770 1 422 . 1 1 59 59 GLU HA H 1 4.226 . . . . . . . 40 GLU HA . 26770 1 423 . 1 1 59 59 GLU HB2 H 1 1.968 . . . . . . . 40 GLU HB2 . 26770 1 424 . 1 1 59 59 GLU HB3 H 1 1.968 . . . . . . . 40 GLU HB3 . 26770 1 425 . 1 1 59 59 GLU HG2 H 1 2.234 . . . . . . . 40 GLU HG2 . 26770 1 426 . 1 1 59 59 GLU HG3 H 1 2.234 . . . . . . . 40 GLU HG3 . 26770 1 427 . 1 1 59 59 GLU C C 13 177.091 . . . . . . . 40 GLU C . 26770 1 428 . 1 1 59 59 GLU CA C 13 57.203 . . . . . . . 40 GLU CA . 26770 1 429 . 1 1 59 59 GLU CB C 13 30.302 . . . . . . . 40 GLU CB . 26770 1 430 . 1 1 59 59 GLU N N 15 122.187 . . . . . . . 40 GLU N . 26770 1 431 . 1 1 60 60 LEU H H 1 8.260 . . . . . . . 41 LEU H . 26770 1 432 . 1 1 60 60 LEU HA H 1 4.358 . . . . . . . 41 LEU HA . 26770 1 433 . 1 1 60 60 LEU HD11 H 1 0.872 . . . . . . . 41 LEU HD11 . 26770 1 434 . 1 1 60 60 LEU HD12 H 1 0.872 . . . . . . . 41 LEU HD12 . 26770 1 435 . 1 1 60 60 LEU HD13 H 1 0.872 . . . . . . . 41 LEU HD13 . 26770 1 436 . 1 1 60 60 LEU HD21 H 1 0.872 . . . . . . . 41 LEU HD21 . 26770 1 437 . 1 1 60 60 LEU HD22 H 1 0.872 . . . . . . . 41 LEU HD22 . 26770 1 438 . 1 1 60 60 LEU HD23 H 1 0.872 . . . . . . . 41 LEU HD23 . 26770 1 439 . 1 1 60 60 LEU C C 13 178.029 . . . . . . . 41 LEU C . 26770 1 440 . 1 1 60 60 LEU CA C 13 56.033 . . . . . . . 41 LEU CA . 26770 1 441 . 1 1 60 60 LEU CB C 13 42.333 . . . . . . . 41 LEU CB . 26770 1 442 . 1 1 60 60 LEU N N 15 123.156 . . . . . . . 41 LEU N . 26770 1 443 . 1 1 61 61 SER H H 1 8.223 . . . . . . . 42 SER H . 26770 1 444 . 1 1 61 61 SER HA H 1 4.392 . . . . . . . 42 SER HA . 26770 1 445 . 1 1 61 61 SER HB2 H 1 3.894 . . . . . . . 42 SER HB2 . 26770 1 446 . 1 1 61 61 SER HB3 H 1 3.894 . . . . . . . 42 SER HB3 . 26770 1 447 . 1 1 61 61 SER C C 13 174.935 . . . . . . . 42 SER C . 26770 1 448 . 1 1 61 61 SER CA C 13 59.070 . . . . . . . 42 SER CA . 26770 1 449 . 1 1 61 61 SER CB C 13 63.819 . . . . . . . 42 SER CB . 26770 1 450 . 1 1 61 61 SER N N 15 115.914 . . . . . . . 42 SER N . 26770 1 451 . 1 1 62 62 ALA H H 1 8.186 . . . . . . . 43 ALA H . 26770 1 452 . 1 1 62 62 ALA HA H 1 4.325 . . . . . . . 43 ALA HA . 26770 1 453 . 1 1 62 62 ALA HB1 H 1 1.404 . . . . . . . 43 ALA HB1 . 26770 1 454 . 1 1 62 62 ALA HB2 H 1 1.404 . . . . . . . 43 ALA HB2 . 26770 1 455 . 1 1 62 62 ALA HB3 H 1 1.404 . . . . . . . 43 ALA HB3 . 26770 1 456 . 1 1 62 62 ALA C C 13 177.887 . . . . . . . 43 ALA C . 26770 1 457 . 1 1 62 62 ALA CA C 13 53.073 . . . . . . . 43 ALA CA . 26770 1 458 . 1 1 62 62 ALA CB C 13 19.131 . . . . . . . 43 ALA CB . 26770 1 459 . 1 1 62 62 ALA N N 15 125.590 . . . . . . . 43 ALA N . 26770 1 460 . 1 1 63 63 ALA H H 1 8.079 . . . . . . . 44 ALA H . 26770 1 461 . 1 1 63 63 ALA HA H 1 4.292 . . . . . . . 44 ALA HA . 26770 1 462 . 1 1 63 63 ALA HB1 H 1 1.370 . . . . . . . 44 ALA HB1 . 26770 1 463 . 1 1 63 63 ALA HB2 H 1 1.370 . . . . . . . 44 ALA HB2 . 26770 1 464 . 1 1 63 63 ALA HB3 H 1 1.370 . . . . . . . 44 ALA HB3 . 26770 1 465 . 1 1 63 63 ALA C C 13 178.310 . . . . . . . 44 ALA C . 26770 1 466 . 1 1 63 63 ALA CA C 13 53.073 . . . . . . . 44 ALA CA . 26770 1 467 . 1 1 63 63 ALA CB C 13 19.132 . . . . . . . 44 ALA CB . 26770 1 468 . 1 1 63 63 ALA N N 15 122.378 . . . . . . . 44 ALA N . 26770 1 469 . 1 1 64 64 VAL H H 1 7.900 . . . . . . . 45 VAL H . 26770 1 470 . 1 1 64 64 VAL HA H 1 4.093 . . . . . . . 45 VAL HA . 26770 1 471 . 1 1 64 64 VAL HB H 1 2.068 . . . . . . . 45 VAL HB . 26770 1 472 . 1 1 64 64 VAL HG11 H 1 0.905 . . . . . . . 45 VAL HG11 . 26770 1 473 . 1 1 64 64 VAL HG12 H 1 0.905 . . . . . . . 45 VAL HG12 . 26770 1 474 . 1 1 64 64 VAL HG13 H 1 0.905 . . . . . . . 45 VAL HG13 . 26770 1 475 . 1 1 64 64 VAL HG21 H 1 0.905 . . . . . . . 45 VAL HG21 . 26770 1 476 . 1 1 64 64 VAL HG22 H 1 0.905 . . . . . . . 45 VAL HG22 . 26770 1 477 . 1 1 64 64 VAL HG23 H 1 0.905 . . . . . . . 45 VAL HG23 . 26770 1 478 . 1 1 64 64 VAL C C 13 176.529 . . . . . . . 45 VAL C . 26770 1 479 . 1 1 64 64 VAL CA C 13 62.564 . . . . . . . 45 VAL CA . 26770 1 480 . 1 1 64 64 VAL CB C 13 32.880 . . . . . . . 45 VAL CB . 26770 1 481 . 1 1 64 64 VAL N N 15 118.092 . . . . . . . 45 VAL N . 26770 1 482 . 1 1 65 65 SER H H 1 8.206 . . . . . . . 46 SER H . 26770 1 483 . 1 1 65 65 SER HA H 1 4.425 . . . . . . . 46 SER HA . 26770 1 484 . 1 1 65 65 SER HB2 H 1 3.827 . . . . . . . 46 SER HB2 . 26770 1 485 . 1 1 65 65 SER HB3 H 1 3.827 . . . . . . . 46 SER HB3 . 26770 1 486 . 1 1 65 65 SER C C 13 174.700 . . . . . . . 46 SER C . 26770 1 487 . 1 1 65 65 SER CA C 13 58.602 . . . . . . . 46 SER CA . 26770 1 488 . 1 1 65 65 SER CB C 13 63.824 . . . . . . . 46 SER CB . 26770 1 489 . 1 1 65 65 SER N N 15 118.400 . . . . . . . 46 SER N . 26770 1 490 . 1 1 66 66 HIS C C 13 175.175 . . . . . . . 47 HIS C . 26770 1 491 . 1 1 66 66 HIS CA C 13 56.111 . . . . . . . 47 HIS CA . 26770 1 492 . 1 1 66 66 HIS CB C 13 30.303 . . . . . . . 47 HIS CB . 26770 1 493 . 1 1 67 67 LYS H H 1 8.229 . . . . . . . 48 LYS H . 26770 1 494 . 1 1 67 67 LYS HA H 1 4.325 . . . . . . . 48 LYS HA . 26770 1 495 . 1 1 67 67 LYS HB2 H 1 1.802 . . . . . . . 48 LYS HB2 . 26770 1 496 . 1 1 67 67 LYS HB3 H 1 1.802 . . . . . . . 48 LYS HB3 . 26770 1 497 . 1 1 67 67 LYS HG2 H 1 1.403 . . . . . . . 48 LYS HG2 . 26770 1 498 . 1 1 67 67 LYS HG3 H 1 1.403 . . . . . . . 48 LYS HG3 . 26770 1 499 . 1 1 67 67 LYS HD2 H 1 1.685 . . . . . . . 48 LYS HD2 . 26770 1 500 . 1 1 67 67 LYS HD3 H 1 1.685 . . . . . . . 48 LYS HD3 . 26770 1 501 . 1 1 67 67 LYS HE2 H 1 2.997 . . . . . . . 48 LYS HE2 . 26770 1 502 . 1 1 67 67 LYS HE3 H 1 2.997 . . . . . . . 48 LYS HE3 . 26770 1 503 . 1 1 67 67 LYS C C 13 176.811 . . . . . . . 48 LYS C . 26770 1 504 . 1 1 67 67 LYS CA C 13 56.881 . . . . . . . 48 LYS CA . 26770 1 505 . 1 1 67 67 LYS CB C 13 33.312 . . . . . . . 48 LYS CB . 26770 1 506 . 1 1 67 67 LYS N N 15 122.696 . . . . . . . 48 LYS N . 26770 1 507 . 1 1 68 68 LYS H H 1 8.405 . . . . . . . 49 LYS H . 26770 1 508 . 1 1 68 68 LYS HA H 1 4.292 . . . . . . . 49 LYS HA . 26770 1 509 . 1 1 68 68 LYS HB2 H 1 1.769 . . . . . . . 49 LYS HB2 . 26770 1 510 . 1 1 68 68 LYS HB3 H 1 1.769 . . . . . . . 49 LYS HB3 . 26770 1 511 . 1 1 68 68 LYS HG2 H 1 1.404 . . . . . . . 49 LYS HG2 . 26770 1 512 . 1 1 68 68 LYS HG3 H 1 1.404 . . . . . . . 49 LYS HG3 . 26770 1 513 . 1 1 68 68 LYS HD2 H 1 1.769 . . . . . . . 49 LYS HD2 . 26770 1 514 . 1 1 68 68 LYS HD3 H 1 1.769 . . . . . . . 49 LYS HD3 . 26770 1 515 . 1 1 68 68 LYS HE2 H 1 2.997 . . . . . . . 49 LYS HE2 . 26770 1 516 . 1 1 68 68 LYS HE3 H 1 2.997 . . . . . . . 49 LYS HE3 . 26770 1 517 . 1 1 68 68 LYS C C 13 176.529 . . . . . . . 49 LYS C . 26770 1 518 . 1 1 68 68 LYS CA C 13 56.902 . . . . . . . 49 LYS CA . 26770 1 519 . 1 1 68 68 LYS CB C 13 33.308 . . . . . . . 49 LYS CB . 26770 1 520 . 1 1 68 68 LYS N N 15 122.775 . . . . . . . 49 LYS N . 26770 1 521 . 1 1 69 69 ASP H H 1 8.279 . . . . . . . 50 ASP H . 26770 1 522 . 1 1 69 69 ASP HA H 1 4.591 . . . . . . . 50 ASP HA . 26770 1 523 . 1 1 69 69 ASP HB2 H 1 2.599 . . . . . . . 50 ASP HB2 . 26770 1 524 . 1 1 69 69 ASP HB3 H 1 2.698 . . . . . . . 50 ASP HB3 . 26770 1 525 . 1 1 69 69 ASP C C 13 176.062 . . . . . . . 50 ASP C . 26770 1 526 . 1 1 69 69 ASP CA C 13 54.728 . . . . . . . 50 ASP CA . 26770 1 527 . 1 1 69 69 ASP CB C 13 41.473 . . . . . . . 50 ASP CB . 26770 1 528 . 1 1 69 69 ASP N N 15 121.356 . . . . . . . 50 ASP N . 26770 1 529 . 1 1 70 70 ALA H H 1 8.137 . . . . . . . 51 ALA H . 26770 1 530 . 1 1 70 70 ALA HA H 1 4.293 . . . . . . . 51 ALA HA . 26770 1 531 . 1 1 70 70 ALA HB1 H 1 1.403 . . . . . . . 51 ALA HB1 . 26770 1 532 . 1 1 70 70 ALA HB2 H 1 1.403 . . . . . . . 51 ALA HB2 . 26770 1 533 . 1 1 70 70 ALA HB3 H 1 1.403 . . . . . . . 51 ALA HB3 . 26770 1 534 . 1 1 70 70 ALA C C 13 177.826 . . . . . . . 51 ALA C . 26770 1 535 . 1 1 70 70 ALA CA C 13 52.701 . . . . . . . 51 ALA CA . 26770 1 536 . 1 1 70 70 ALA CB C 13 19.561 . . . . . . . 51 ALA CB . 26770 1 537 . 1 1 70 70 ALA N N 15 124.001 . . . . . . . 51 ALA N . 26770 1 538 . 1 1 71 71 VAL H H 1 8.062 . . . . . . . 52 VAL H . 26770 1 539 . 1 1 71 71 VAL HA H 1 4.159 . . . . . . . 52 VAL HA . 26770 1 540 . 1 1 71 71 VAL HB H 1 2.068 . . . . . . . 52 VAL HB . 26770 1 541 . 1 1 71 71 VAL HG11 H 1 0.906 . . . . . . . 52 VAL HG11 . 26770 1 542 . 1 1 71 71 VAL HG12 H 1 0.906 . . . . . . . 52 VAL HG12 . 26770 1 543 . 1 1 71 71 VAL HG13 H 1 0.906 . . . . . . . 52 VAL HG13 . 26770 1 544 . 1 1 71 71 VAL HG21 H 1 0.906 . . . . . . . 52 VAL HG21 . 26770 1 545 . 1 1 71 71 VAL HG22 H 1 0.906 . . . . . . . 52 VAL HG22 . 26770 1 546 . 1 1 71 71 VAL HG23 H 1 0.906 . . . . . . . 52 VAL HG23 . 26770 1 547 . 1 1 71 71 VAL C C 13 176.343 . . . . . . . 52 VAL C . 26770 1 548 . 1 1 71 71 VAL CA C 13 62.564 . . . . . . . 52 VAL CA . 26770 1 549 . 1 1 71 71 VAL CB C 13 32.881 . . . . . . . 52 VAL CB . 26770 1 550 . 1 1 71 71 VAL N N 15 119.619 . . . . . . . 52 VAL N . 26770 1 551 . 1 1 72 72 LYS H H 1 8.330 . . . . . . . 53 LYS H . 26770 1 552 . 1 1 72 72 LYS HA H 1 4.325 . . . . . . . 53 LYS HA . 26770 1 553 . 1 1 72 72 LYS HB2 H 1 1.802 . . . . . . . 53 LYS HB2 . 26770 1 554 . 1 1 72 72 LYS HB3 H 1 1.802 . . . . . . . 53 LYS HB3 . 26770 1 555 . 1 1 72 72 LYS HG2 H 1 1.436 . . . . . . . 53 LYS HG2 . 26770 1 556 . 1 1 72 72 LYS HG3 H 1 1.436 . . . . . . . 53 LYS HG3 . 26770 1 557 . 1 1 72 72 LYS HD2 H 1 1.736 . . . . . . . 53 LYS HD2 . 26770 1 558 . 1 1 72 72 LYS HD3 H 1 1.736 . . . . . . . 53 LYS HD3 . 26770 1 559 . 1 1 72 72 LYS C C 13 176.202 . . . . . . . 53 LYS C . 26770 1 560 . 1 1 72 72 LYS CA C 13 56.461 . . . . . . . 53 LYS CA . 26770 1 561 . 1 1 72 72 LYS CB C 13 33.310 . . . . . . . 53 LYS CB . 26770 1 562 . 1 1 72 72 LYS N N 15 126.330 . . . . . . . 53 LYS N . 26770 1 563 . 1 1 73 73 ALA H H 1 8.315 . . . . . . . 54 ALA H . 26770 1 564 . 1 1 73 73 ALA HA H 1 4.325 . . . . . . . 54 ALA HA . 26770 1 565 . 1 1 73 73 ALA HB1 H 1 1.370 . . . . . . . 54 ALA HB1 . 26770 1 566 . 1 1 73 73 ALA HB2 H 1 1.370 . . . . . . . 54 ALA HB2 . 26770 1 567 . 1 1 73 73 ALA HB3 H 1 1.370 . . . . . . . 54 ALA HB3 . 26770 1 568 . 1 1 73 73 ALA C C 13 177.419 . . . . . . . 54 ALA C . 26770 1 569 . 1 1 73 73 ALA CA C 13 52.623 . . . . . . . 54 ALA CA . 26770 1 570 . 1 1 73 73 ALA CB C 13 19.561 . . . . . . . 54 ALA CB . 26770 1 571 . 1 1 73 73 ALA N N 15 125.841 . . . . . . . 54 ALA N . 26770 1 572 . 1 1 74 74 ASP H H 1 8.315 . . . . . . . 55 ASP H . 26770 1 573 . 1 1 74 74 ASP HA H 1 4.624 . . . . . . . 55 ASP HA . 26770 1 574 . 1 1 74 74 ASP HB2 H 1 2.599 . . . . . . . 55 ASP HB2 . 26770 1 575 . 1 1 74 74 ASP HB3 H 1 2.698 . . . . . . . 55 ASP HB3 . 26770 1 576 . 1 1 74 74 ASP C C 13 176.579 . . . . . . . 55 ASP C . 26770 1 577 . 1 1 74 74 ASP CA C 13 54.407 . . . . . . . 55 ASP CA . 26770 1 578 . 1 1 74 74 ASP CB C 13 41.477 . . . . . . . 55 ASP CB . 26770 1 579 . 1 1 74 74 ASP N N 15 120.022 . . . . . . . 55 ASP N . 26770 1 580 . 1 1 75 75 VAL H H 1 8.062 . . . . . . . 56 VAL H . 26770 1 581 . 1 1 75 75 VAL HA H 1 4.193 . . . . . . . 56 VAL HA . 26770 1 582 . 1 1 75 75 VAL HB H 1 2.134 . . . . . . . 56 VAL HB . 26770 1 583 . 1 1 75 75 VAL HG11 H 1 0.939 . . . . . . . 56 VAL HG11 . 26770 1 584 . 1 1 75 75 VAL HG12 H 1 0.939 . . . . . . . 56 VAL HG12 . 26770 1 585 . 1 1 75 75 VAL HG13 H 1 0.939 . . . . . . . 56 VAL HG13 . 26770 1 586 . 1 1 75 75 VAL HG21 H 1 0.939 . . . . . . . 56 VAL HG21 . 26770 1 587 . 1 1 75 75 VAL HG22 H 1 0.939 . . . . . . . 56 VAL HG22 . 26770 1 588 . 1 1 75 75 VAL HG23 H 1 0.939 . . . . . . . 56 VAL HG23 . 26770 1 589 . 1 1 75 75 VAL C C 13 176.482 . . . . . . . 56 VAL C . 26770 1 590 . 1 1 75 75 VAL CA C 13 62.486 . . . . . . . 56 VAL CA . 26770 1 591 . 1 1 75 75 VAL CB C 13 32.881 . . . . . . . 56 VAL CB . 26770 1 592 . 1 1 75 75 VAL N N 15 120.075 . . . . . . . 56 VAL N . 26770 1 593 . 1 1 76 76 THR H H 1 8.330 . . . . . . . 57 THR H . 26770 1 594 . 1 1 76 76 THR HA H 1 4.325 . . . . . . . 57 THR HA . 26770 1 595 . 1 1 76 76 THR HB H 1 4.159 . . . . . . . 57 THR HB . 26770 1 596 . 1 1 76 76 THR HG21 H 1 1.204 . . . . . . . 57 THR HG21 . 26770 1 597 . 1 1 76 76 THR HG22 H 1 1.204 . . . . . . . 57 THR HG22 . 26770 1 598 . 1 1 76 76 THR HG23 H 1 1.204 . . . . . . . 57 THR HG23 . 26770 1 599 . 1 1 76 76 THR C C 13 174.654 . . . . . . . 57 THR C . 26770 1 600 . 1 1 76 76 THR CA C 13 62.486 . . . . . . . 57 THR CA . 26770 1 601 . 1 1 76 76 THR CB C 13 69.834 . . . . . . . 57 THR CB . 26770 1 602 . 1 1 76 76 THR N N 15 118.218 . . . . . . . 57 THR N . 26770 1 603 . 1 1 77 77 LEU H H 1 8.239 . . . . . . . 58 LEU H . 26770 1 604 . 1 1 77 77 LEU HA H 1 4.459 . . . . . . . 58 LEU HA . 26770 1 605 . 1 1 77 77 LEU HB2 H 1 1.626 . . . . . . . 58 LEU HB2 . 26770 1 606 . 1 1 77 77 LEU HB3 H 1 1.626 . . . . . . . 58 LEU HB3 . 26770 1 607 . 1 1 77 77 LEU HG H 1 1.626 . . . . . . . 58 LEU HG . 26770 1 608 . 1 1 77 77 LEU HD11 H 1 0.872 . . . . . . . 58 LEU HD11 . 26770 1 609 . 1 1 77 77 LEU HD12 H 1 0.872 . . . . . . . 58 LEU HD12 . 26770 1 610 . 1 1 77 77 LEU HD13 H 1 0.872 . . . . . . . 58 LEU HD13 . 26770 1 611 . 1 1 77 77 LEU HD21 H 1 0.872 . . . . . . . 58 LEU HD21 . 26770 1 612 . 1 1 77 77 LEU HD22 H 1 0.872 . . . . . . . 58 LEU HD22 . 26770 1 613 . 1 1 77 77 LEU HD23 H 1 0.872 . . . . . . . 58 LEU HD23 . 26770 1 614 . 1 1 77 77 LEU C C 13 177.419 . . . . . . . 58 LEU C . 26770 1 615 . 1 1 77 77 LEU CA C 13 55.241 . . . . . . . 58 LEU CA . 26770 1 616 . 1 1 77 77 LEU CB C 13 42.772 . . . . . . . 58 LEU CB . 26770 1 617 . 1 1 77 77 LEU N N 15 125.102 . . . . . . . 58 LEU N . 26770 1 618 . 1 1 78 78 THR H H 1 8.062 . . . . . . . 59 THR H . 26770 1 619 . 1 1 78 78 THR HA H 1 4.292 . . . . . . . 59 THR HA . 26770 1 620 . 1 1 78 78 THR HB H 1 4.159 . . . . . . . 59 THR HB . 26770 1 621 . 1 1 78 78 THR HG21 H 1 1.171 . . . . . . . 59 THR HG21 . 26770 1 622 . 1 1 78 78 THR HG22 H 1 1.171 . . . . . . . 59 THR HG22 . 26770 1 623 . 1 1 78 78 THR HG23 H 1 1.171 . . . . . . . 59 THR HG23 . 26770 1 624 . 1 1 78 78 THR C C 13 174.139 . . . . . . . 59 THR C . 26770 1 625 . 1 1 78 78 THR CA C 13 62.070 . . . . . . . 59 THR CA . 26770 1 626 . 1 1 78 78 THR CB C 13 70.262 . . . . . . . 59 THR CB . 26770 1 627 . 1 1 78 78 THR N N 15 115.099 . . . . . . . 59 THR N . 26770 1 628 . 1 1 79 79 ASP H H 1 8.331 . . . . . . . 60 ASP H . 26770 1 629 . 1 1 79 79 ASP HB2 H 1 2.753 . . . . . . . 60 ASP HB2 . 26770 1 630 . 1 1 79 79 ASP HB3 H 1 2.533 . . . . . . . 60 ASP HB3 . 26770 1 631 . 1 1 79 79 ASP C C 13 175.040 . . . . . . . 60 ASP C . 26770 1 632 . 1 1 79 79 ASP CA C 13 52.641 . . . . . . . 60 ASP CA . 26770 1 633 . 1 1 79 79 ASP CB C 13 41.462 . . . . . . . 60 ASP CB . 26770 1 634 . 1 1 79 79 ASP N N 15 124.493 . . . . . . . 60 ASP N . 26770 1 635 . 1 1 80 80 PRO C C 13 176.488 . . . . . . . 61 PRO C . 26770 1 636 . 1 1 80 80 PRO CA C 13 63.837 . . . . . . . 61 PRO CA . 26770 1 637 . 1 1 80 80 PRO CB C 13 32.451 . . . . . . . 61 PRO CB . 26770 1 638 . 1 1 80 80 PRO N N 15 120.756 . . . . . . . 61 PRO N . 26770 1 639 . 1 1 81 81 LEU H H 1 8.354 . . . . . . . 62 LEU H . 26770 1 640 . 1 1 81 81 LEU HA H 1 4.293 . . . . . . . 62 LEU HA . 26770 1 641 . 1 1 81 81 LEU HB2 H 1 1.702 . . . . . . . 62 LEU HB2 . 26770 1 642 . 1 1 81 81 LEU HB3 H 1 1.570 . . . . . . . 62 LEU HB3 . 26770 1 643 . 1 1 81 81 LEU HG H 1 1.570 . . . . . . . 62 LEU HG . 26770 1 644 . 1 1 81 81 LEU HD11 H 1 0.896 . . . . . . . 62 LEU HD11 . 26770 1 645 . 1 1 81 81 LEU HD12 H 1 0.896 . . . . . . . 62 LEU HD12 . 26770 1 646 . 1 1 81 81 LEU HD13 H 1 0.896 . . . . . . . 62 LEU HD13 . 26770 1 647 . 1 1 81 81 LEU HD21 H 1 0.896 . . . . . . . 62 LEU HD21 . 26770 1 648 . 1 1 81 81 LEU HD22 H 1 0.896 . . . . . . . 62 LEU HD22 . 26770 1 649 . 1 1 81 81 LEU HD23 H 1 0.896 . . . . . . . 62 LEU HD23 . 26770 1 650 . 1 1 81 81 LEU C C 13 178.170 . . . . . . . 62 LEU C . 26770 1 651 . 1 1 81 81 LEU CA C 13 55.689 . . . . . . . 62 LEU CA . 26770 1 652 . 1 1 81 81 LEU CB C 13 41.904 . . . . . . . 62 LEU CB . 26770 1 653 . 1 1 81 81 LEU N N 15 121.005 . . . . . . . 62 LEU N . 26770 1 654 . 1 1 82 82 GLU H H 1 8.046 . . . . . . . 63 GLU H . 26770 1 655 . 1 1 82 82 GLU HA H 1 4.193 . . . . . . . 63 GLU HA . 26770 1 656 . 1 1 82 82 GLU HB2 H 1 1.935 . . . . . . . 63 GLU HB2 . 26770 1 657 . 1 1 82 82 GLU HB3 H 1 1.935 . . . . . . . 63 GLU HB3 . 26770 1 658 . 1 1 82 82 GLU HG2 H 1 2.234 . . . . . . . 63 GLU HG2 . 26770 1 659 . 1 1 82 82 GLU HG3 H 1 2.234 . . . . . . . 63 GLU HG3 . 26770 1 660 . 1 1 82 82 GLU C C 13 176.483 . . . . . . . 63 GLU C . 26770 1 661 . 1 1 82 82 GLU CA C 13 56.959 . . . . . . . 63 GLU CA . 26770 1 662 . 1 1 82 82 GLU CB C 13 30.302 . . . . . . . 63 GLU CB . 26770 1 663 . 1 1 82 82 GLU N N 15 120.748 . . . . . . . 63 GLU N . 26770 1 664 . 1 1 83 83 ALA H H 1 8.061 . . . . . . . 64 ALA H . 26770 1 665 . 1 1 83 83 ALA HA H 1 4.226 . . . . . . . 64 ALA HA . 26770 1 666 . 1 1 83 83 ALA HB1 H 1 1.271 . . . . . . . 64 ALA HB1 . 26770 1 667 . 1 1 83 83 ALA HB2 H 1 1.271 . . . . . . . 64 ALA HB2 . 26770 1 668 . 1 1 83 83 ALA HB3 H 1 1.271 . . . . . . . 64 ALA HB3 . 26770 1 669 . 1 1 83 83 ALA C C 13 177.607 . . . . . . . 64 ALA C . 26770 1 670 . 1 1 83 83 ALA CA C 13 52.844 . . . . . . . 64 ALA CA . 26770 1 671 . 1 1 83 83 ALA CB C 13 19.130 . . . . . . . 64 ALA CB . 26770 1 672 . 1 1 83 83 ALA N N 15 123.862 . . . . . . . 64 ALA N . 26770 1 673 . 1 1 84 84 PHE H H 1 8.023 . . . . . . . 65 PHE H . 26770 1 674 . 1 1 84 84 PHE HA H 1 4.624 . . . . . . . 65 PHE HA . 26770 1 675 . 1 1 84 84 PHE HB2 H 1 3.163 . . . . . . . 65 PHE HB2 . 26770 1 676 . 1 1 84 84 PHE HB3 H 1 3.064 . . . . . . . 65 PHE HB3 . 26770 1 677 . 1 1 84 84 PHE C C 13 175.780 . . . . . . . 65 PHE C . 26770 1 678 . 1 1 84 84 PHE CA C 13 57.858 . . . . . . . 65 PHE CA . 26770 1 679 . 1 1 84 84 PHE CB C 13 39.757 . . . . . . . 65 PHE CB . 26770 1 680 . 1 1 84 84 PHE N N 15 118.770 . . . . . . . 65 PHE N . 26770 1 681 . 1 1 85 85 CYS H H 1 8.170 . . . . . . . 66 CYS H . 26770 1 682 . 1 1 85 85 CYS HA H 1 4.458 . . . . . . . 66 CYS HA . 26770 1 683 . 1 1 85 85 CYS HB2 H 1 2.865 . . . . . . . 66 CYS HB2 . 26770 1 684 . 1 1 85 85 CYS HB3 H 1 2.865 . . . . . . . 66 CYS HB3 . 26770 1 685 . 1 1 85 85 CYS C C 13 174.513 . . . . . . . 66 CYS C . 26770 1 686 . 1 1 85 85 CYS CA C 13 58.682 . . . . . . . 66 CYS CA . 26770 1 687 . 1 1 85 85 CYS CB C 13 28.153 . . . . . . . 66 CYS CB . 26770 1 688 . 1 1 85 85 CYS N N 15 121.340 . . . . . . . 66 CYS N . 26770 1 689 . 1 1 86 86 LYS H H 1 8.336 . . . . . . . 67 LYS H . 26770 1 690 . 1 1 86 86 LYS HA H 1 4.292 . . . . . . . 67 LYS HA . 26770 1 691 . 1 1 86 86 LYS HB2 H 1 1.736 . . . . . . . 67 LYS HB2 . 26770 1 692 . 1 1 86 86 LYS HB3 H 1 1.835 . . . . . . . 67 LYS HB3 . 26770 1 693 . 1 1 86 86 LYS HG2 H 1 1.437 . . . . . . . 67 LYS HG2 . 26770 1 694 . 1 1 86 86 LYS HG3 H 1 1.437 . . . . . . . 67 LYS HG3 . 26770 1 695 . 1 1 86 86 LYS HD2 H 1 1.635 . . . . . . . 67 LYS HD2 . 26770 1 696 . 1 1 86 86 LYS HD3 H 1 1.635 . . . . . . . 67 LYS HD3 . 26770 1 697 . 1 1 86 86 LYS HE2 H 1 2.747 . . . . . . . 67 LYS HE2 . 26770 1 698 . 1 1 86 86 LYS HE3 H 1 2.747 . . . . . . . 67 LYS HE3 . 26770 1 699 . 1 1 86 86 LYS C C 13 176.201 . . . . . . . 67 LYS C . 26770 1 700 . 1 1 86 86 LYS CA C 13 56.758 . . . . . . . 67 LYS CA . 26770 1 701 . 1 1 86 86 LYS CB C 13 33.311 . . . . . . . 67 LYS CB . 26770 1 702 . 1 1 86 86 LYS N N 15 124.436 . . . . . . . 67 LYS N . 26770 1 703 . 1 1 87 87 ASP H H 1 8.241 . . . . . . . 68 ASP H . 26770 1 704 . 1 1 87 87 ASP HA H 1 4.591 . . . . . . . 68 ASP HA . 26770 1 705 . 1 1 87 87 ASP HB2 H 1 2.665 . . . . . . . 68 ASP HB2 . 26770 1 706 . 1 1 87 87 ASP HB3 H 1 2.566 . . . . . . . 68 ASP HB3 . 26770 1 707 . 1 1 87 87 ASP C C 13 175.497 . . . . . . . 68 ASP C . 26770 1 708 . 1 1 87 87 ASP CA C 13 54.420 . . . . . . . 68 ASP CA . 26770 1 709 . 1 1 87 87 ASP CB C 13 41.478 . . . . . . . 68 ASP CB . 26770 1 710 . 1 1 87 87 ASP N N 15 121.209 . . . . . . . 68 ASP N . 26770 1 711 . 1 1 88 88 ALA H H 1 8.098 . . . . . . . 69 ALA H . 26770 1 712 . 1 1 88 88 ALA HA H 1 4.621 . . . . . . . 69 ALA HA . 26770 1 713 . 1 1 88 88 ALA HB1 H 1 1.338 . . . . . . . 69 ALA HB1 . 26770 1 714 . 1 1 88 88 ALA HB2 H 1 1.338 . . . . . . . 69 ALA HB2 . 26770 1 715 . 1 1 88 88 ALA HB3 H 1 1.338 . . . . . . . 69 ALA HB3 . 26770 1 716 . 1 1 88 88 ALA C C 13 175.636 . . . . . . . 69 ALA C . 26770 1 717 . 1 1 88 88 ALA CA C 13 50.532 . . . . . . . 69 ALA CA . 26770 1 718 . 1 1 88 88 ALA CB C 13 18.701 . . . . . . . 69 ALA CB . 26770 1 719 . 1 1 88 88 ALA N N 15 124.910 . . . . . . . 69 ALA N . 26770 1 720 . 1 1 89 89 PRO C C 13 176.951 . . . . . . . 70 PRO C . 26770 1 721 . 1 1 89 89 PRO CA C 13 63.386 . . . . . . . 70 PRO CA . 26770 1 722 . 1 1 89 89 PRO CB C 13 32.449 . . . . . . . 70 PRO CB . 26770 1 723 . 1 1 90 90 ASP H H 1 8.384 . . . . . . . 71 ASP H . 26770 1 724 . 1 1 90 90 ASP HA H 1 4.591 . . . . . . . 71 ASP HA . 26770 1 725 . 1 1 90 90 ASP HB2 H 1 2.641 . . . . . . . 71 ASP HB2 . 26770 1 726 . 1 1 90 90 ASP HB3 H 1 2.641 . . . . . . . 71 ASP HB3 . 26770 1 727 . 1 1 90 90 ASP C C 13 176.435 . . . . . . . 71 ASP C . 26770 1 728 . 1 1 90 90 ASP CA C 13 54.356 . . . . . . . 71 ASP CA . 26770 1 729 . 1 1 90 90 ASP CB C 13 41.475 . . . . . . . 71 ASP CB . 26770 1 730 . 1 1 90 90 ASP N N 15 120.116 . . . . . . . 71 ASP N . 26770 1 731 . 1 1 91 91 ALA H H 1 8.186 . . . . . . . 72 ALA H . 26770 1 732 . 1 1 91 91 ALA HA H 1 4.292 . . . . . . . 72 ALA HA . 26770 1 733 . 1 1 91 91 ALA HB1 H 1 1.271 . . . . . . . 72 ALA HB1 . 26770 1 734 . 1 1 91 91 ALA HB2 H 1 1.271 . . . . . . . 72 ALA HB2 . 26770 1 735 . 1 1 91 91 ALA HB3 H 1 1.271 . . . . . . . 72 ALA HB3 . 26770 1 736 . 1 1 91 91 ALA C C 13 177.889 . . . . . . . 72 ALA C . 26770 1 737 . 1 1 91 91 ALA CA C 13 53.075 . . . . . . . 72 ALA CA . 26770 1 738 . 1 1 91 91 ALA CB C 13 19.562 . . . . . . . 72 ALA CB . 26770 1 739 . 1 1 91 91 ALA N N 15 124.311 . . . . . . . 72 ALA N . 26770 1 740 . 1 1 92 92 ASP H H 1 8.330 . . . . . . . 73 ASP H . 26770 1 741 . 1 1 92 92 ASP HA H 1 4.591 . . . . . . . 73 ASP HA . 26770 1 742 . 1 1 92 92 ASP HB2 H 1 2.713 . . . . . . . 73 ASP HB2 . 26770 1 743 . 1 1 92 92 ASP HB3 H 1 2.599 . . . . . . . 73 ASP HB3 . 26770 1 744 . 1 1 92 92 ASP C C 13 176.794 . . . . . . . 73 ASP C . 26770 1 745 . 1 1 92 92 ASP CA C 13 54.792 . . . . . . . 73 ASP CA . 26770 1 746 . 1 1 92 92 ASP CB C 13 41.473 . . . . . . . 73 ASP CB . 26770 1 747 . 1 1 92 92 ASP N N 15 119.302 . . . . . . . 73 ASP N . 26770 1 748 . 1 1 93 93 GLU H H 1 8.279 . . . . . . . 74 GLU H . 26770 1 749 . 1 1 93 93 GLU HA H 1 4.259 . . . . . . . 74 GLU HA . 26770 1 750 . 1 1 93 93 GLU HB2 H 1 1.979 . . . . . . . 74 GLU HB2 . 26770 1 751 . 1 1 93 93 GLU HB3 H 1 2.062 . . . . . . . 74 GLU HB3 . 26770 1 752 . 1 1 93 93 GLU HG2 H 1 2.267 . . . . . . . 74 GLU HG2 . 26770 1 753 . 1 1 93 93 GLU HG3 H 1 2.267 . . . . . . . 74 GLU HG3 . 26770 1 754 . 1 1 93 93 GLU C C 13 176.670 . . . . . . . 74 GLU C . 26770 1 755 . 1 1 93 93 GLU CA C 13 57.182 . . . . . . . 74 GLU CA . 26770 1 756 . 1 1 93 93 GLU CB C 13 30.302 . . . . . . . 74 GLU CB . 26770 1 757 . 1 1 93 93 GLU N N 15 121.119 . . . . . . . 74 GLU N . 26770 1 758 . 1 1 94 94 CYS H H 1 8.367 . . . . . . . 75 CYS H . 26770 1 759 . 1 1 94 94 CYS HA H 1 4.568 . . . . . . . 75 CYS HA . 26770 1 760 . 1 1 94 94 CYS HB2 H 1 2.914 . . . . . . . 75 CYS HB2 . 26770 1 761 . 1 1 94 94 CYS HB3 H 1 2.914 . . . . . . . 75 CYS HB3 . 26770 1 762 . 1 1 94 94 CYS C C 13 174.653 . . . . . . . 75 CYS C . 26770 1 763 . 1 1 94 94 CYS CA C 13 59.050 . . . . . . . 75 CYS CA . 26770 1 764 . 1 1 94 94 CYS CB C 13 27.727 . . . . . . . 75 CYS CB . 26770 1 765 . 1 1 94 94 CYS N N 15 120.040 . . . . . . . 75 CYS N . 26770 1 766 . 1 1 95 95 ARG H H 1 8.206 . . . . . . . 76 ARG H . 26770 1 767 . 1 1 95 95 ARG HA H 1 4.326 . . . . . . . 76 ARG HA . 26770 1 768 . 1 1 95 95 ARG HB2 H 1 1.702 . . . . . . . 76 ARG HB2 . 26770 1 769 . 1 1 95 95 ARG HB3 H 1 1.702 . . . . . . . 76 ARG HB3 . 26770 1 770 . 1 1 95 95 ARG HG2 H 1 1.503 . . . . . . . 76 ARG HG2 . 26770 1 771 . 1 1 95 95 ARG HG3 H 1 1.503 . . . . . . . 76 ARG HG3 . 26770 1 772 . 1 1 95 95 ARG HD2 H 1 3.130 . . . . . . . 76 ARG HD2 . 26770 1 773 . 1 1 95 95 ARG HD3 H 1 3.130 . . . . . . . 76 ARG HD3 . 26770 1 774 . 1 1 95 95 ARG C C 13 175.830 . . . . . . . 76 ARG C . 26770 1 775 . 1 1 95 95 ARG CA C 13 56.142 . . . . . . . 76 ARG CA . 26770 1 776 . 1 1 95 95 ARG CB C 13 31.164 . . . . . . . 76 ARG CB . 26770 1 777 . 1 1 95 95 ARG N N 15 123.935 . . . . . . . 76 ARG N . 26770 1 778 . 1 1 96 96 VAL H H 1 8.066 . . . . . . . 77 VAL H . 26770 1 779 . 1 1 96 96 VAL HA H 1 4.060 . . . . . . . 77 VAL HA . 26770 1 780 . 1 1 96 96 VAL HB H 1 1.935 . . . . . . . 77 VAL HB . 26770 1 781 . 1 1 96 96 VAL HG11 H 1 0.839 . . . . . . . 77 VAL HG11 . 26770 1 782 . 1 1 96 96 VAL HG12 H 1 0.839 . . . . . . . 77 VAL HG12 . 26770 1 783 . 1 1 96 96 VAL HG13 H 1 0.839 . . . . . . . 77 VAL HG13 . 26770 1 784 . 1 1 96 96 VAL HG21 H 1 0.839 . . . . . . . 77 VAL HG21 . 26770 1 785 . 1 1 96 96 VAL HG22 H 1 0.839 . . . . . . . 77 VAL HG22 . 26770 1 786 . 1 1 96 96 VAL HG23 H 1 0.839 . . . . . . . 77 VAL HG23 . 26770 1 787 . 1 1 96 96 VAL C C 13 175.777 . . . . . . . 77 VAL C . 26770 1 788 . 1 1 96 96 VAL CA C 13 62.417 . . . . . . . 77 VAL CA . 26770 1 789 . 1 1 96 96 VAL CB C 13 32.883 . . . . . . . 77 VAL CB . 26770 1 790 . 1 1 96 96 VAL N N 15 121.568 . . . . . . . 77 VAL N . 26770 1 791 . 1 1 97 97 TYR H H 1 8.320 . . . . . . . 78 TYR H . 26770 1 792 . 1 1 97 97 TYR HB2 H 1 2.865 . . . . . . . 78 TYR HB2 . 26770 1 793 . 1 1 97 97 TYR HB3 H 1 3.064 . . . . . . . 78 TYR HB3 . 26770 1 794 . 1 1 97 97 TYR C C 13 175.593 . . . . . . . 78 TYR C . 26770 1 795 . 1 1 97 97 TYR CA C 13 57.847 . . . . . . . 78 TYR CA . 26770 1 796 . 1 1 97 97 TYR CB C 13 39.318 . . . . . . . 78 TYR CB . 26770 1 797 . 1 1 97 97 TYR N N 15 124.406 . . . . . . . 78 TYR N . 26770 1 798 . 1 1 98 98 GLU H H 1 8.260 . . . . . . . 79 GLU H . 26770 1 799 . 1 1 98 98 GLU HA H 1 4.358 . . . . . . . 79 GLU HA . 26770 1 800 . 1 1 98 98 GLU HB2 H 1 2.068 . . . . . . . 79 GLU HB2 . 26770 1 801 . 1 1 98 98 GLU HB3 H 1 2.068 . . . . . . . 79 GLU HB3 . 26770 1 802 . 1 1 98 98 GLU HG2 H 1 2.216 . . . . . . . 79 GLU HG2 . 26770 1 803 . 1 1 98 98 GLU HG3 H 1 2.216 . . . . . . . 79 GLU HG3 . 26770 1 804 . 1 1 98 98 GLU C C 13 175.123 . . . . . . . 79 GLU C . 26770 1 805 . 1 1 98 98 GLU CA C 13 56.319 . . . . . . . 79 GLU CA . 26770 1 806 . 1 1 98 98 GLU CB C 13 31.163 . . . . . . . 79 GLU CB . 26770 1 807 . 1 1 98 98 GLU N N 15 123.044 . . . . . . . 79 GLU N . 26770 1 808 . 1 1 99 99 ASP H H 1 7.935 . . . . . . . 80 ASP H . 26770 1 809 . 1 1 99 99 ASP HA H 1 4.392 . . . . . . . 80 ASP HA . 26770 1 810 . 1 1 99 99 ASP HB2 H 1 2.566 . . . . . . . 80 ASP HB2 . 26770 1 811 . 1 1 99 99 ASP HB3 H 1 2.665 . . . . . . . 80 ASP HB3 . 26770 1 812 . 1 1 99 99 ASP C C 13 175.099 . . . . . . . 80 ASP C . 26770 1 813 . 1 1 99 99 ASP CA C 13 56.096 . . . . . . . 80 ASP CA . 26770 1 814 . 1 1 99 99 ASP CB C 13 42.335 . . . . . . . 80 ASP CB . 26770 1 815 . 1 1 99 99 ASP N N 15 127.093 . . . . . . . 80 ASP N . 26770 1 stop_ save_