data_26901 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26901 _Entry.Title ; 1H, 13C and 15N backbone and side-chain resonance assignments of the ZnF UBP domain of USP20/VDU2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-19 _Entry.Accession_date 2016-09-19 _Entry.Last_release_date 2016-09-19 _Entry.Original_release_date 2016-09-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yuanyuan Yang . . . . 26901 2 Yi Wen . . . . 26901 3 Naixia Zhang . . . . 26901 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26901 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 26901 '15N chemical shifts' 95 26901 '1H chemical shifts' 589 26901 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 . . 2017-03-14 2016-09-19 update BMRB 'update entry citation' 26901 1 . . 2017-02-15 2016-09-19 original author 'original release' 26901 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26901 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28091961 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone and side-chain resonance assignments of the ZnF-UBP domain of USP20/VDU2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _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 91 _Citation.Page_last 93 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuanyuan Yang . . . . 26901 1 2 Yi Wen . . . . 26901 1 3 Naixia Zhang . . . . 26901 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26901 _Assembly.ID 1 _Assembly.Name USP20 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 USP20 1 $USP20 A . yes native no no . . . 26901 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_USP20 _Entity.Sf_category entity _Entity.Sf_framecode USP20 _Entity.Entry_ID 26901 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name USP20 _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 ; GSHMGDSRDLCPHLDSIGEV TKEDLLLKSKGTCQSCGVTG PNLWACLQVACPYVGCGESF ADHSTIHAQAKKHNLTVNLT TFRLWCYACEKEVFLEQRLA AP ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 26901 1 2 -1 SER . 26901 1 3 0 HIS . 26901 1 4 1 MET . 26901 1 5 2 GLY . 26901 1 6 3 ASP . 26901 1 7 4 SER . 26901 1 8 5 ARG . 26901 1 9 6 ASP . 26901 1 10 7 LEU . 26901 1 11 8 CYS . 26901 1 12 9 PRO . 26901 1 13 10 HIS . 26901 1 14 11 LEU . 26901 1 15 12 ASP . 26901 1 16 13 SER . 26901 1 17 14 ILE . 26901 1 18 15 GLY . 26901 1 19 16 GLU . 26901 1 20 17 VAL . 26901 1 21 18 THR . 26901 1 22 19 LYS . 26901 1 23 20 GLU . 26901 1 24 21 ASP . 26901 1 25 22 LEU . 26901 1 26 23 LEU . 26901 1 27 24 LEU . 26901 1 28 25 LYS . 26901 1 29 26 SER . 26901 1 30 27 LYS . 26901 1 31 28 GLY . 26901 1 32 29 THR . 26901 1 33 30 CYS . 26901 1 34 31 GLN . 26901 1 35 32 SER . 26901 1 36 33 CYS . 26901 1 37 34 GLY . 26901 1 38 35 VAL . 26901 1 39 36 THR . 26901 1 40 37 GLY . 26901 1 41 38 PRO . 26901 1 42 39 ASN . 26901 1 43 40 LEU . 26901 1 44 41 TRP . 26901 1 45 42 ALA . 26901 1 46 43 CYS . 26901 1 47 44 LEU . 26901 1 48 45 GLN . 26901 1 49 46 VAL . 26901 1 50 47 ALA . 26901 1 51 48 CYS . 26901 1 52 49 PRO . 26901 1 53 50 TYR . 26901 1 54 51 VAL . 26901 1 55 52 GLY . 26901 1 56 53 CYS . 26901 1 57 54 GLY . 26901 1 58 55 GLU . 26901 1 59 56 SER . 26901 1 60 57 PHE . 26901 1 61 58 ALA . 26901 1 62 59 ASP . 26901 1 63 60 HIS . 26901 1 64 61 SER . 26901 1 65 62 THR . 26901 1 66 63 ILE . 26901 1 67 64 HIS . 26901 1 68 65 ALA . 26901 1 69 66 GLN . 26901 1 70 67 ALA . 26901 1 71 68 LYS . 26901 1 72 69 LYS . 26901 1 73 70 HIS . 26901 1 74 71 ASN . 26901 1 75 72 LEU . 26901 1 76 73 THR . 26901 1 77 74 VAL . 26901 1 78 75 ASN . 26901 1 79 76 LEU . 26901 1 80 77 THR . 26901 1 81 78 THR . 26901 1 82 79 PHE . 26901 1 83 80 ARG . 26901 1 84 81 LEU . 26901 1 85 82 TRP . 26901 1 86 83 CYS . 26901 1 87 84 TYR . 26901 1 88 85 ALA . 26901 1 89 86 CYS . 26901 1 90 87 GLU . 26901 1 91 88 LYS . 26901 1 92 89 GLU . 26901 1 93 90 VAL . 26901 1 94 91 PHE . 26901 1 95 92 LEU . 26901 1 96 93 GLU . 26901 1 97 94 GLN . 26901 1 98 95 ARG . 26901 1 99 96 LEU . 26901 1 100 97 ALA . 26901 1 101 98 ALA . 26901 1 102 99 PRO . 26901 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26901 1 . SER 2 2 26901 1 . HIS 3 3 26901 1 . MET 4 4 26901 1 . GLY 5 5 26901 1 . ASP 6 6 26901 1 . SER 7 7 26901 1 . ARG 8 8 26901 1 . ASP 9 9 26901 1 . LEU 10 10 26901 1 . CYS 11 11 26901 1 . PRO 12 12 26901 1 . HIS 13 13 26901 1 . LEU 14 14 26901 1 . ASP 15 15 26901 1 . SER 16 16 26901 1 . ILE 17 17 26901 1 . GLY 18 18 26901 1 . GLU 19 19 26901 1 . VAL 20 20 26901 1 . THR 21 21 26901 1 . LYS 22 22 26901 1 . GLU 23 23 26901 1 . ASP 24 24 26901 1 . LEU 25 25 26901 1 . LEU 26 26 26901 1 . LEU 27 27 26901 1 . LYS 28 28 26901 1 . SER 29 29 26901 1 . LYS 30 30 26901 1 . GLY 31 31 26901 1 . THR 32 32 26901 1 . CYS 33 33 26901 1 . GLN 34 34 26901 1 . SER 35 35 26901 1 . CYS 36 36 26901 1 . GLY 37 37 26901 1 . VAL 38 38 26901 1 . THR 39 39 26901 1 . GLY 40 40 26901 1 . PRO 41 41 26901 1 . ASN 42 42 26901 1 . LEU 43 43 26901 1 . TRP 44 44 26901 1 . ALA 45 45 26901 1 . CYS 46 46 26901 1 . LEU 47 47 26901 1 . GLN 48 48 26901 1 . VAL 49 49 26901 1 . ALA 50 50 26901 1 . CYS 51 51 26901 1 . PRO 52 52 26901 1 . TYR 53 53 26901 1 . VAL 54 54 26901 1 . GLY 55 55 26901 1 . CYS 56 56 26901 1 . GLY 57 57 26901 1 . GLU 58 58 26901 1 . SER 59 59 26901 1 . PHE 60 60 26901 1 . ALA 61 61 26901 1 . ASP 62 62 26901 1 . HIS 63 63 26901 1 . SER 64 64 26901 1 . THR 65 65 26901 1 . ILE 66 66 26901 1 . HIS 67 67 26901 1 . ALA 68 68 26901 1 . GLN 69 69 26901 1 . ALA 70 70 26901 1 . LYS 71 71 26901 1 . LYS 72 72 26901 1 . HIS 73 73 26901 1 . ASN 74 74 26901 1 . LEU 75 75 26901 1 . THR 76 76 26901 1 . VAL 77 77 26901 1 . ASN 78 78 26901 1 . LEU 79 79 26901 1 . THR 80 80 26901 1 . THR 81 81 26901 1 . PHE 82 82 26901 1 . ARG 83 83 26901 1 . LEU 84 84 26901 1 . TRP 85 85 26901 1 . CYS 86 86 26901 1 . TYR 87 87 26901 1 . ALA 88 88 26901 1 . CYS 89 89 26901 1 . GLU 90 90 26901 1 . LYS 91 91 26901 1 . GLU 92 92 26901 1 . VAL 93 93 26901 1 . PHE 94 94 26901 1 . LEU 95 95 26901 1 . GLU 96 96 26901 1 . GLN 97 97 26901 1 . ARG 98 98 26901 1 . LEU 99 99 26901 1 . ALA 100 100 26901 1 . ALA 101 101 26901 1 . PRO 102 102 26901 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 26901 _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 $USP20 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26901 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 26901 _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 $USP20 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 26901 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26901 _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 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26901 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26901 1 3 USP20 '[U-100% 13C; U-100% 15N]' . . 1 $USP20 . . . 0.6 0.8 mM . . . . 26901 1 4 Na2HPO4/NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 26901 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26901 1 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 26901 1 7 ZnSO4 'natural abundance' . . . . . . 50 . . uM . . . . 26901 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26901 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 D2O 'natural abundance' . . . . . . 100 . . % . . . . 26901 2 2 USP20 '[U-100% 13C; U-100% 15N]' . . 1 $USP20 . . . 0.6 0.8 mM . . . . 26901 2 3 Na2HPO4/NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 26901 2 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26901 2 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 26901 2 6 ZnSO4 'natural abundance' . . . . . . 50 . . uM . . . . 26901 2 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 26901 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 26901 1 pH 6.5 . pH 26901 1 pressure 1 . atm 26901 1 temperature 298.2 . K 26901 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26901 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26901 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26901 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 26901 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26901 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 26901 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 26901 _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 . . . . . . . . . . . . . . . . 26901 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 1 13 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26901 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 26901 _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 0 na indirect 0.25144953 . . . . . 26901 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . 26901 1 N 15 water protons . . . . ppm 0 na indirect 0.101329118 . . . . . 26901 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 26901 _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' . . . 26901 1 3 '3D HNCA' . . . 26901 1 4 '3D HN(CO)CA' . . . 26901 1 5 '3D HNCACB' . . . 26901 1 6 '3D CBCA(CO)NH' . . . 26901 1 7 '3D HNCO' . . . 26901 1 8 '3D HBHA(CO)NH' . . . 26901 1 11 '3D 1H-15N NOESY' . . . 26901 1 12 '3D HCCH-TOCSY' . . . 26901 1 13 '3D HN(CA)CO' . . . 26901 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 4 4 MET H H 1 8.461 0.020 . 1 . . . . 1 MET H . 26901 1 2 . 1 1 4 4 MET HA H 1 4.354 0.020 . 1 . . . . 1 MET HA . 26901 1 3 . 1 1 4 4 MET HB2 H 1 2.003 0.020 . 2 . . . . 1 MET HB2 . 26901 1 4 . 1 1 4 4 MET HB3 H 1 1.916 0.020 . 2 . . . . 1 MET HB3 . 26901 1 5 . 1 1 4 4 MET HG2 H 1 2.463 0.020 . 2 . . . . 1 MET HG2 . 26901 1 6 . 1 1 4 4 MET HG3 H 1 2.389 0.020 . 2 . . . . 1 MET HG3 . 26901 1 7 . 1 1 4 4 MET C C 13 176.548 0.3 . 1 . . . . 1 MET C . 26901 1 8 . 1 1 4 4 MET CA C 13 55.623 0.3 . 1 . . . . 1 MET CA . 26901 1 9 . 1 1 4 4 MET CB C 13 32.594 0.3 . 1 . . . . 1 MET CB . 26901 1 10 . 1 1 4 4 MET CG C 13 31.505 0.3 . 1 . . . . 1 MET CG . 26901 1 11 . 1 1 4 4 MET N N 15 122.043 0.3 . 1 . . . . 1 MET N . 26901 1 12 . 1 1 5 5 GLY H H 1 8.427 0.020 . 1 . . . . 2 GLY H . 26901 1 13 . 1 1 5 5 GLY HA2 H 1 3.881 0.020 . 1 . . . . 2 GLY HA2 . 26901 1 14 . 1 1 5 5 GLY HA3 H 1 3.881 0.020 . 1 . . . . 2 GLY HA3 . 26901 1 15 . 1 1 5 5 GLY C C 13 173.628 0.3 . 1 . . . . 2 GLY C . 26901 1 16 . 1 1 5 5 GLY CA C 13 45.105 0.3 . 1 . . . . 2 GLY CA . 26901 1 17 . 1 1 5 5 GLY N N 15 110.230 0.3 . 1 . . . . 2 GLY N . 26901 1 18 . 1 1 6 6 ASP H H 1 8.204 0.020 . 1 . . . . 3 ASP H . 26901 1 19 . 1 1 6 6 ASP HA H 1 4.540 0.020 . 1 . . . . 3 ASP HA . 26901 1 20 . 1 1 6 6 ASP HB2 H 1 2.662 0.020 . 1 . . . . 3 ASP HB2 . 26901 1 21 . 1 1 6 6 ASP HB3 H 1 2.662 0.020 . 1 . . . . 3 ASP HB3 . 26901 1 22 . 1 1 6 6 ASP C C 13 176.548 0.3 . 1 . . . . 3 ASP C . 26901 1 23 . 1 1 6 6 ASP CA C 13 54.097 0.3 . 1 . . . . 3 ASP CA . 26901 1 24 . 1 1 6 6 ASP CB C 13 41.461 0.3 . 1 . . . . 3 ASP CB . 26901 1 25 . 1 1 6 6 ASP N N 15 120.605 0.3 . 1 . . . . 3 ASP N . 26901 1 26 . 1 1 7 7 SER H H 1 8.379 0.020 . 1 . . . . 4 SER H . 26901 1 27 . 1 1 7 7 SER HA H 1 4.354 0.020 . 1 . . . . 4 SER HA . 26901 1 28 . 1 1 7 7 SER HB2 H 1 3.794 0.020 . 1 . . . . 4 SER HB2 . 26901 1 29 . 1 1 7 7 SER HB3 H 1 3.794 0.020 . 1 . . . . 4 SER HB3 . 26901 1 30 . 1 1 7 7 SER C C 13 174.837 0.3 . 1 . . . . 4 SER C . 26901 1 31 . 1 1 7 7 SER CA C 13 58.875 0.3 . 1 . . . . 4 SER CA . 26901 1 32 . 1 1 7 7 SER CB C 13 63.161 0.3 . 1 . . . . 4 SER CB . 26901 1 33 . 1 1 7 7 SER N N 15 116.919 0.3 . 1 . . . . 4 SER N . 26901 1 34 . 1 1 8 8 ARG H H 1 8.407 0.020 . 1 . . . . 5 ARG H . 26901 1 35 . 1 1 8 8 ARG HA H 1 4.254 0.020 . 1 . . . . 5 ARG HA . 26901 1 36 . 1 1 8 8 ARG HB2 H 1 1.729 0.020 . 1 . . . . 5 ARG HB2 . 26901 1 37 . 1 1 8 8 ARG HB3 H 1 1.729 0.020 . 1 . . . . 5 ARG HB3 . 26901 1 38 . 1 1 8 8 ARG HG2 H 1 1.543 0.020 . 1 . . . . 5 ARG HG2 . 26901 1 39 . 1 1 8 8 ARG HG3 H 1 1.543 0.020 . 1 . . . . 5 ARG HG3 . 26901 1 40 . 1 1 8 8 ARG HD2 H 1 3.135 0.020 . 1 . . . . 5 ARG HD2 . 26901 1 41 . 1 1 8 8 ARG HD3 H 1 3.135 0.020 . 1 . . . . 5 ARG HD3 . 26901 1 42 . 1 1 8 8 ARG C C 13 176.046 0.3 . 1 . . . . 5 ARG C . 26901 1 43 . 1 1 8 8 ARG CA C 13 56.387 0.3 . 1 . . . . 5 ARG CA . 26901 1 44 . 1 1 8 8 ARG CB C 13 30.339 0.3 . 1 . . . . 5 ARG CB . 26901 1 45 . 1 1 8 8 ARG CG C 13 26.761 0.3 . 1 . . . . 5 ARG CG . 26901 1 46 . 1 1 8 8 ARG CD C 13 43.172 0.3 . 1 . . . . 5 ARG CD . 26901 1 47 . 1 1 8 8 ARG N N 15 122.418 0.3 . 1 . . . . 5 ARG N . 26901 1 48 . 1 1 9 9 ASP H H 1 8.239 0.020 . 1 . . . . 6 ASP H . 26901 1 49 . 1 1 9 9 ASP HA H 1 4.540 0.020 . 1 . . . . 6 ASP HA . 26901 1 50 . 1 1 9 9 ASP HB2 H 1 2.662 0.020 . 2 . . . . 6 ASP HB2 . 26901 1 51 . 1 1 9 9 ASP HB3 H 1 2.476 0.020 . 2 . . . . 6 ASP HB3 . 26901 1 52 . 1 1 9 9 ASP C C 13 175.521 0.3 . 1 . . . . 6 ASP C . 26901 1 53 . 1 1 9 9 ASP CA C 13 54.362 0.3 . 1 . . . . 6 ASP CA . 26901 1 54 . 1 1 9 9 ASP CB C 13 40.839 0.3 . 1 . . . . 6 ASP CB . 26901 1 55 . 1 1 9 9 ASP N N 15 120.418 0.3 . 1 . . . . 6 ASP N . 26901 1 56 . 1 1 10 10 LEU H H 1 7.876 0.020 . 1 . . . . 7 LEU H . 26901 1 57 . 1 1 10 10 LEU HA H 1 4.254 0.020 . 1 . . . . 7 LEU HA . 26901 1 58 . 1 1 10 10 LEU HB2 H 1 1.443 0.020 . 1 . . . . 7 LEU HB2 . 26901 1 59 . 1 1 10 10 LEU HB3 H 1 1.443 0.020 . 1 . . . . 7 LEU HB3 . 26901 1 60 . 1 1 10 10 LEU HD11 H 1 0.784 0.020 . 1 . . . . 7 LEU HD1 . 26901 1 61 . 1 1 10 10 LEU HD12 H 1 0.784 0.020 . 1 . . . . 7 LEU HD1 . 26901 1 62 . 1 1 10 10 LEU HD13 H 1 0.784 0.020 . 1 . . . . 7 LEU HD1 . 26901 1 63 . 1 1 10 10 LEU HD21 H 1 0.784 0.020 . 1 . . . . 7 LEU HD2 . 26901 1 64 . 1 1 10 10 LEU HD22 H 1 0.784 0.020 . 1 . . . . 7 LEU HD2 . 26901 1 65 . 1 1 10 10 LEU HD23 H 1 0.784 0.020 . 1 . . . . 7 LEU HD2 . 26901 1 66 . 1 1 10 10 LEU C C 13 176.548 0.3 . 1 . . . . 7 LEU C . 26901 1 67 . 1 1 10 10 LEU CA C 13 54.595 0.3 . 1 . . . . 7 LEU CA . 26901 1 68 . 1 1 10 10 LEU CB C 13 42.627 0.3 . 1 . . . . 7 LEU CB . 26901 1 69 . 1 1 10 10 LEU CG C 13 26.761 0.3 . 1 . . . . 7 LEU CG . 26901 1 70 . 1 1 10 10 LEU CD1 C 13 24.428 0.3 . 1 . . . . 7 LEU CD1 . 26901 1 71 . 1 1 10 10 LEU CD2 C 13 23.261 0.3 . 1 . . . . 7 LEU CD2 . 26901 1 72 . 1 1 10 10 LEU N N 15 121.856 0.3 . 1 . . . . 7 LEU N . 26901 1 73 . 1 1 11 11 CYS H H 1 8.549 0.020 . 1 . . . . 8 CYS H . 26901 1 74 . 1 1 11 11 CYS HA H 1 4.754 0.020 . 1 . . . . 8 CYS HA . 26901 1 75 . 1 1 11 11 CYS HB2 H 1 2.951 0.020 . 2 . . . . 8 CYS HB2 . 26901 1 76 . 1 1 11 11 CYS HB3 H 1 2.752 0.020 . 2 . . . . 8 CYS HB3 . 26901 1 77 . 1 1 11 11 CYS C C 13 175.704 0.3 . 1 . . . . 8 CYS C . 26901 1 78 . 1 1 11 11 CYS CA C 13 56.353 0.3 . 1 . . . . 8 CYS CA . 26901 1 79 . 1 1 11 11 CYS CB C 13 30.883 0.3 . 1 . . . . 8 CYS CB . 26901 1 80 . 1 1 11 11 CYS N N 15 127.044 0.3 . 1 . . . . 8 CYS N . 26901 1 81 . 1 1 12 12 PRO HA H 1 4.441 0.020 . 1 . . . . 9 PRO HA . 26901 1 82 . 1 1 12 12 PRO HB2 H 1 1.916 0.020 . 2 . . . . 9 PRO HB2 . 26901 1 83 . 1 1 12 12 PRO HB3 H 1 1.630 0.020 . 2 . . . . 9 PRO HB3 . 26901 1 84 . 1 1 12 12 PRO HG2 H 1 0.486 0.020 . 1 . . . . 9 PRO HG2 . 26901 1 85 . 1 1 12 12 PRO HG3 H 1 0.486 0.020 . 1 . . . . 9 PRO HG3 . 26901 1 86 . 1 1 12 12 PRO HD2 H 1 3.682 0.020 . 1 . . . . 9 PRO HD2 . 26901 1 87 . 1 1 12 12 PRO HD3 H 1 3.682 0.020 . 1 . . . . 9 PRO HD3 . 26901 1 88 . 1 1 12 12 PRO C C 13 176.548 0.3 . 1 . . . . 9 PRO C . 26901 1 89 . 1 1 12 12 PRO CA C 13 63.123 0.3 . 1 . . . . 9 PRO CA . 26901 1 90 . 1 1 12 12 PRO CB C 13 31.505 0.3 . 1 . . . . 9 PRO CB . 26901 1 91 . 1 1 12 12 PRO CG C 13 25.050 0.3 . 1 . . . . 9 PRO CG . 26901 1 92 . 1 1 12 12 PRO CD C 13 50.794 0.3 . 1 . . . . 9 PRO CD . 26901 1 93 . 1 1 13 13 HIS H H 1 9.579 0.020 . 1 . . . . 10 HIS H . 26901 1 94 . 1 1 13 13 HIS HA H 1 4.441 0.020 . 1 . . . . 10 HIS HA . 26901 1 95 . 1 1 13 13 HIS HB2 H 1 3.508 0.020 . 2 . . . . 10 HIS HB2 . 26901 1 96 . 1 1 13 13 HIS HB3 H 1 2.948 0.020 . 2 . . . . 10 HIS HB3 . 26901 1 97 . 1 1 13 13 HIS C C 13 176.388 0.3 . 1 . . . . 10 HIS C . 26901 1 98 . 1 1 13 13 HIS CA C 13 58.610 0.3 . 1 . . . . 10 HIS CA . 26901 1 99 . 1 1 13 13 HIS CB C 13 29.716 0.3 . 1 . . . . 10 HIS CB . 26901 1 100 . 1 1 13 13 HIS N N 15 124.357 0.3 . 1 . . . . 10 HIS N . 26901 1 101 . 1 1 14 14 LEU H H 1 7.548 0.020 . 1 . . . . 11 LEU H . 26901 1 102 . 1 1 14 14 LEU HA H 1 3.968 0.020 . 1 . . . . 11 LEU HA . 26901 1 103 . 1 1 14 14 LEU HB2 H 1 1.729 0.020 . 2 . . . . 11 LEU HB2 . 26901 1 104 . 1 1 14 14 LEU HB3 H 1 1.543 0.020 . 2 . . . . 11 LEU HB3 . 26901 1 105 . 1 1 14 14 LEU HG H 1 1.916 0.020 . 1 . . . . 11 LEU HG . 26901 1 106 . 1 1 14 14 LEU HD11 H 1 0.971 0.020 . 2 . . . . 11 LEU HD1 . 26901 1 107 . 1 1 14 14 LEU HD12 H 1 0.971 0.020 . 2 . . . . 11 LEU HD1 . 26901 1 108 . 1 1 14 14 LEU HD13 H 1 0.971 0.020 . 2 . . . . 11 LEU HD1 . 26901 1 109 . 1 1 14 14 LEU HD21 H 1 0.784 0.020 . 2 . . . . 11 LEU HD2 . 26901 1 110 . 1 1 14 14 LEU HD22 H 1 0.784 0.020 . 2 . . . . 11 LEU HD2 . 26901 1 111 . 1 1 14 14 LEU HD23 H 1 0.784 0.020 . 2 . . . . 11 LEU HD2 . 26901 1 112 . 1 1 14 14 LEU C C 13 177.414 0.3 . 1 . . . . 11 LEU C . 26901 1 113 . 1 1 14 14 LEU CA C 13 57.117 0.3 . 1 . . . . 11 LEU CA . 26901 1 114 . 1 1 14 14 LEU CB C 13 42.005 0.3 . 1 . . . . 11 LEU CB . 26901 1 115 . 1 1 14 14 LEU CG C 13 25.594 0.3 . 1 . . . . 11 LEU CG . 26901 1 116 . 1 1 14 14 LEU CD1 C 13 23.883 0.3 . 1 . . . . 11 LEU CD1 . 26901 1 117 . 1 1 14 14 LEU CD2 C 13 23.883 0.3 . 1 . . . . 11 LEU CD2 . 26901 1 118 . 1 1 14 14 LEU N N 15 123.170 0.3 . 1 . . . . 11 LEU N . 26901 1 119 . 1 1 15 15 ASP H H 1 7.958 0.020 . 1 . . . . 12 ASP H . 26901 1 120 . 1 1 15 15 ASP HA H 1 4.354 0.020 . 1 . . . . 12 ASP HA . 26901 1 121 . 1 1 15 15 ASP HB2 H 1 2.662 0.020 . 1 . . . . 12 ASP HB2 . 26901 1 122 . 1 1 15 15 ASP HB3 H 1 2.662 0.020 . 1 . . . . 12 ASP HB3 . 26901 1 123 . 1 1 15 15 ASP C C 13 177.072 0.3 . 1 . . . . 12 ASP C . 26901 1 124 . 1 1 15 15 ASP CA C 13 56.121 0.3 . 1 . . . . 12 ASP CA . 26901 1 125 . 1 1 15 15 ASP CB C 13 39.672 0.3 . 1 . . . . 12 ASP CB . 26901 1 126 . 1 1 15 15 ASP N N 15 117.669 0.3 . 1 . . . . 12 ASP N . 26901 1 127 . 1 1 16 16 SER H H 1 7.754 0.020 . 1 . . . . 13 SER H . 26901 1 128 . 1 1 16 16 SER HA H 1 4.354 0.020 . 1 . . . . 13 SER HA . 26901 1 129 . 1 1 16 16 SER HB2 H 1 3.981 0.020 . 1 . . . . 13 SER HB2 . 26901 1 130 . 1 1 16 16 SER HB3 H 1 3.981 0.020 . 1 . . . . 13 SER HB3 . 26901 1 131 . 1 1 16 16 SER C C 13 174.495 0.3 . 1 . . . . 13 SER C . 26901 1 132 . 1 1 16 16 SER CA C 13 59.373 0.3 . 1 . . . . 13 SER CA . 26901 1 133 . 1 1 16 16 SER CB C 13 63.705 0.3 . 1 . . . . 13 SER CB . 26901 1 134 . 1 1 16 16 SER N N 15 112.911 0.3 . 1 . . . . 13 SER N . 26901 1 135 . 1 1 17 17 ILE H H 1 7.186 0.020 . 1 . . . . 14 ILE H . 26901 1 136 . 1 1 17 17 ILE HA H 1 4.441 0.020 . 1 . . . . 14 ILE HA . 26901 1 137 . 1 1 17 17 ILE HB H 1 2.003 0.020 . 1 . . . . 14 ILE HB . 26901 1 138 . 1 1 17 17 ILE HG12 H 1 1.443 0.020 . 1 . . . . 14 ILE HG12 . 26901 1 139 . 1 1 17 17 ILE HG13 H 1 1.443 0.020 . 1 . . . . 14 ILE HG13 . 26901 1 140 . 1 1 17 17 ILE HG21 H 1 0.784 0.020 . 1 . . . . 14 ILE HG2 . 26901 1 141 . 1 1 17 17 ILE HG22 H 1 0.784 0.020 . 1 . . . . 14 ILE HG2 . 26901 1 142 . 1 1 17 17 ILE HG23 H 1 0.784 0.020 . 1 . . . . 14 ILE HG2 . 26901 1 143 . 1 1 17 17 ILE HD11 H 1 0.784 0.020 . 1 . . . . 14 ILE HD1 . 26901 1 144 . 1 1 17 17 ILE HD12 H 1 0.784 0.020 . 1 . . . . 14 ILE HD1 . 26901 1 145 . 1 1 17 17 ILE HD13 H 1 0.784 0.020 . 1 . . . . 14 ILE HD1 . 26901 1 146 . 1 1 17 17 ILE C C 13 176.206 0.3 . 1 . . . . 14 ILE C . 26901 1 147 . 1 1 17 17 ILE CA C 13 61.364 0.3 . 1 . . . . 14 ILE CA . 26901 1 148 . 1 1 17 17 ILE CB C 13 39.127 0.3 . 1 . . . . 14 ILE CB . 26901 1 149 . 1 1 17 17 ILE CG1 C 13 25.594 0.3 . 1 . . . . 14 ILE CG1 . 26901 1 150 . 1 1 17 17 ILE CG2 C 13 18.594 0.3 . 1 . . . . 14 ILE CG2 . 26901 1 151 . 1 1 17 17 ILE CD1 C 13 14.472 0.3 . 1 . . . . 14 ILE CD1 . 26901 1 152 . 1 1 17 17 ILE N N 15 116.295 0.3 . 1 . . . . 14 ILE N . 26901 1 153 . 1 1 18 18 GLY H H 1 8.034 0.020 . 1 . . . . 15 GLY H . 26901 1 154 . 1 1 18 18 GLY HA2 H 1 4.068 0.020 . 2 . . . . 15 GLY HA2 . 26901 1 155 . 1 1 18 18 GLY HA3 H 1 3.695 0.020 . 2 . . . . 15 GLY HA3 . 26901 1 156 . 1 1 18 18 GLY C C 13 172.944 0.3 . 1 . . . . 15 GLY C . 26901 1 157 . 1 1 18 18 GLY CA C 13 44.607 0.3 . 1 . . . . 15 GLY CA . 26901 1 158 . 1 1 18 18 GLY N N 15 109.293 0.3 . 1 . . . . 15 GLY N . 26901 1 159 . 1 1 19 19 GLU H H 1 8.286 0.020 . 1 . . . . 16 GLU H . 26901 1 160 . 1 1 19 19 GLU HA H 1 4.167 0.020 . 1 . . . . 16 GLU HA . 26901 1 161 . 1 1 19 19 GLU HB2 H 1 1.916 0.020 . 2 . . . . 16 GLU HB2 . 26901 1 162 . 1 1 19 19 GLU HB3 H 1 1.829 0.020 . 2 . . . . 16 GLU HB3 . 26901 1 163 . 1 1 19 19 GLU HG2 H 1 2.115 0.020 . 1 . . . . 16 GLU HG2 . 26901 1 164 . 1 1 19 19 GLU HG3 H 1 2.115 0.020 . 1 . . . . 16 GLU HG3 . 26901 1 165 . 1 1 19 19 GLU C C 13 176.046 0.3 . 1 . . . . 16 GLU C . 26901 1 166 . 1 1 19 19 GLU CA C 13 56.353 0.3 . 1 . . . . 16 GLU CA . 26901 1 167 . 1 1 19 19 GLU CB C 13 29.639 0.3 . 1 . . . . 16 GLU CB . 26901 1 168 . 1 1 19 19 GLU CG C 13 36.172 0.3 . 1 . . . . 16 GLU CG . 26901 1 169 . 1 1 19 19 GLU N N 15 121.044 0.3 . 1 . . . . 16 GLU N . 26901 1 170 . 1 1 20 20 VAL H H 1 8.193 0.020 . 1 . . . . 17 VAL H . 26901 1 171 . 1 1 20 20 VAL HA H 1 4.354 0.020 . 1 . . . . 17 VAL HA . 26901 1 172 . 1 1 20 20 VAL HB H 1 1.916 0.020 . 1 . . . . 17 VAL HB . 26901 1 173 . 1 1 20 20 VAL HG11 H 1 0.871 0.020 . 2 . . . . 17 VAL HG1 . 26901 1 174 . 1 1 20 20 VAL HG12 H 1 0.871 0.020 . 2 . . . . 17 VAL HG1 . 26901 1 175 . 1 1 20 20 VAL HG13 H 1 0.871 0.020 . 2 . . . . 17 VAL HG1 . 26901 1 176 . 1 1 20 20 VAL HG21 H 1 0.784 0.020 . 2 . . . . 17 VAL HG2 . 26901 1 177 . 1 1 20 20 VAL HG22 H 1 0.784 0.020 . 2 . . . . 17 VAL HG2 . 26901 1 178 . 1 1 20 20 VAL HG23 H 1 0.784 0.020 . 2 . . . . 17 VAL HG2 . 26901 1 179 . 1 1 20 20 VAL C C 13 175.179 0.3 . 1 . . . . 17 VAL C . 26901 1 180 . 1 1 20 20 VAL CA C 13 61.364 0.3 . 1 . . . . 17 VAL CA . 26901 1 181 . 1 1 20 20 VAL CB C 13 33.294 0.3 . 1 . . . . 17 VAL CB . 26901 1 182 . 1 1 20 20 VAL CG1 C 13 20.928 0.3 . 1 . . . . 17 VAL CG1 . 26901 1 183 . 1 1 20 20 VAL CG2 C 13 20.928 0.3 . 1 . . . . 17 VAL CG2 . 26901 1 184 . 1 1 20 20 VAL N N 15 124.607 0.3 . 1 . . . . 17 VAL N . 26901 1 185 . 1 1 21 21 THR H H 1 8.536 0.020 . 1 . . . . 18 THR H . 26901 1 186 . 1 1 21 21 THR HA H 1 4.628 0.020 . 1 . . . . 18 THR HA . 26901 1 187 . 1 1 21 21 THR HB H 1 4.441 0.020 . 1 . . . . 18 THR HB . 26901 1 188 . 1 1 21 21 THR HG21 H 1 1.170 0.020 . 1 . . . . 18 THR HG2 . 26901 1 189 . 1 1 21 21 THR HG22 H 1 1.170 0.020 . 1 . . . . 18 THR HG2 . 26901 1 190 . 1 1 21 21 THR HG23 H 1 1.170 0.020 . 1 . . . . 18 THR HG2 . 26901 1 191 . 1 1 21 21 THR C C 13 174.837 0.3 . 1 . . . . 18 THR C . 26901 1 192 . 1 1 21 21 THR CA C 13 59.373 0.3 . 1 . . . . 18 THR CA . 26901 1 193 . 1 1 21 21 THR CB C 13 71.327 0.3 . 1 . . . . 18 THR CB . 26901 1 194 . 1 1 21 21 THR CG2 C 13 21.550 0.3 . 1 . . . . 18 THR CG2 . 26901 1 195 . 1 1 21 21 THR N N 15 117.169 0.3 . 1 . . . . 18 THR N . 26901 1 196 . 1 1 22 22 LYS H H 1 8.965 0.020 . 1 . . . . 19 LYS H . 26901 1 197 . 1 1 22 22 LYS HA H 1 3.695 0.020 . 1 . . . . 19 LYS HA . 26901 1 198 . 1 1 22 22 LYS HB2 H 1 1.729 0.020 . 1 . . . . 19 LYS HB2 . 26901 1 199 . 1 1 22 22 LYS HB3 H 1 1.729 0.020 . 1 . . . . 19 LYS HB3 . 26901 1 200 . 1 1 22 22 LYS HG2 H 1 1.170 0.020 . 1 . . . . 19 LYS HG2 . 26901 1 201 . 1 1 22 22 LYS HG3 H 1 1.170 0.020 . 1 . . . . 19 LYS HG3 . 26901 1 202 . 1 1 22 22 LYS HD2 H 1 1.456 0.020 . 1 . . . . 19 LYS HD2 . 26901 1 203 . 1 1 22 22 LYS HD3 H 1 1.456 0.020 . 1 . . . . 19 LYS HD3 . 26901 1 204 . 1 1 22 22 LYS HE2 H 1 2.575 0.020 . 1 . . . . 19 LYS HE2 . 26901 1 205 . 1 1 22 22 LYS HE3 H 1 2.575 0.020 . 1 . . . . 19 LYS HE3 . 26901 1 206 . 1 1 22 22 LYS C C 13 178.099 0.3 . 1 . . . . 19 LYS C . 26901 1 207 . 1 1 22 22 LYS CA C 13 59.605 0.3 . 1 . . . . 19 LYS CA . 26901 1 208 . 1 1 22 22 LYS CB C 13 31.505 0.3 . 1 . . . . 19 LYS CB . 26901 1 209 . 1 1 22 22 LYS CG C 13 24.428 0.3 . 1 . . . . 19 LYS CG . 26901 1 210 . 1 1 22 22 LYS CD C 13 28.550 0.3 . 1 . . . . 19 LYS CD . 26901 1 211 . 1 1 22 22 LYS CE C 13 42.005 0.3 . 1 . . . . 19 LYS CE . 26901 1 212 . 1 1 22 22 LYS N N 15 123.045 0.3 . 1 . . . . 19 LYS N . 26901 1 213 . 1 1 23 23 GLU H H 1 8.742 0.020 . 1 . . . . 20 GLU H . 26901 1 214 . 1 1 23 23 GLU HA H 1 3.794 0.020 . 1 . . . . 20 GLU HA . 26901 1 215 . 1 1 23 23 GLU HB2 H 1 1.916 0.020 . 1 . . . . 20 GLU HB2 . 26901 1 216 . 1 1 23 23 GLU HB3 H 1 1.916 0.020 . 1 . . . . 20 GLU HB3 . 26901 1 217 . 1 1 23 23 GLU HG2 H 1 2.376 0.020 . 2 . . . . 20 GLU HG2 . 26901 1 218 . 1 1 23 23 GLU HG3 H 1 2.190 0.020 . 2 . . . . 20 GLU HG3 . 26901 1 219 . 1 1 23 23 GLU C C 13 178.965 0.3 . 1 . . . . 20 GLU C . 26901 1 220 . 1 1 23 23 GLU CA C 13 60.601 0.3 . 1 . . . . 20 GLU CA . 26901 1 221 . 1 1 23 23 GLU CB C 13 28.550 0.3 . 1 . . . . 20 GLU CB . 26901 1 222 . 1 1 23 23 GLU CG C 13 36.716 0.3 . 1 . . . . 20 GLU CG . 26901 1 223 . 1 1 23 23 GLU N N 15 117.481 0.3 . 1 . . . . 20 GLU N . 26901 1 224 . 1 1 24 24 ASP H H 1 7.590 0.020 . 1 . . . . 21 ASP H . 26901 1 225 . 1 1 24 24 ASP HA H 1 4.354 0.020 . 1 . . . . 21 ASP HA . 26901 1 226 . 1 1 24 24 ASP HB2 H 1 2.849 0.020 . 2 . . . . 21 ASP HB2 . 26901 1 227 . 1 1 24 24 ASP HB3 H 1 2.575 0.020 . 2 . . . . 21 ASP HB3 . 26901 1 228 . 1 1 24 24 ASP C C 13 178.965 0.3 . 1 . . . . 21 ASP C . 26901 1 229 . 1 1 24 24 ASP CA C 13 57.117 0.3 . 1 . . . . 21 ASP CA . 26901 1 230 . 1 1 24 24 ASP CB C 13 40.839 0.3 . 1 . . . . 21 ASP CB . 26901 1 231 . 1 1 24 24 ASP N N 15 119.544 0.3 . 1 . . . . 21 ASP N . 26901 1 232 . 1 1 25 25 LEU H H 1 7.678 0.020 . 1 . . . . 22 LEU H . 26901 1 233 . 1 1 25 25 LEU HA H 1 3.881 0.020 . 1 . . . . 22 LEU HA . 26901 1 234 . 1 1 25 25 LEU HB2 H 1 1.916 0.020 . 2 . . . . 22 LEU HB2 . 26901 1 235 . 1 1 25 25 LEU HB3 H 1 1.257 0.020 . 2 . . . . 22 LEU HB3 . 26901 1 236 . 1 1 25 25 LEU HG H 1 1.120 0.020 . 1 . . . . 22 LEU HG . 26901 1 237 . 1 1 25 25 LEU HD11 H 1 0.697 0.020 . 1 . . . . 22 LEU HD1 . 26901 1 238 . 1 1 25 25 LEU HD12 H 1 0.697 0.020 . 1 . . . . 22 LEU HD1 . 26901 1 239 . 1 1 25 25 LEU HD13 H 1 0.697 0.020 . 1 . . . . 22 LEU HD1 . 26901 1 240 . 1 1 25 25 LEU HD21 H 1 0.697 0.020 . 1 . . . . 22 LEU HD2 . 26901 1 241 . 1 1 25 25 LEU HD22 H 1 0.697 0.020 . 1 . . . . 22 LEU HD2 . 26901 1 242 . 1 1 25 25 LEU HD23 H 1 0.697 0.020 . 1 . . . . 22 LEU HD2 . 26901 1 243 . 1 1 25 25 LEU C C 13 179.125 0.3 . 1 . . . . 22 LEU C . 26901 1 244 . 1 1 25 25 LEU CA C 13 57.614 0.3 . 1 . . . . 22 LEU CA . 26901 1 245 . 1 1 25 25 LEU CB C 13 40.839 0.3 . 1 . . . . 22 LEU CB . 26901 1 246 . 1 1 25 25 LEU CG C 13 25.594 0.3 . 1 . . . . 22 LEU CG . 26901 1 247 . 1 1 25 25 LEU CD1 C 13 22.017 0.3 . 1 . . . . 22 LEU CD1 . 26901 1 248 . 1 1 25 25 LEU CD2 C 13 22.017 0.3 . 1 . . . . 22 LEU CD2 . 26901 1 249 . 1 1 25 25 LEU N N 15 118.731 0.3 . 1 . . . . 22 LEU N . 26901 1 250 . 1 1 26 26 LEU H H 1 8.350 0.020 . 1 . . . . 23 LEU H . 26901 1 251 . 1 1 26 26 LEU HA H 1 4.068 0.020 . 1 . . . . 23 LEU HA . 26901 1 252 . 1 1 26 26 LEU HB2 H 1 1.817 0.020 . 2 . . . . 23 LEU HB2 . 26901 1 253 . 1 1 26 26 LEU HB3 H 1 1.543 0.020 . 2 . . . . 23 LEU HB3 . 26901 1 254 . 1 1 26 26 LEU HG H 1 1.269 0.020 . 1 . . . . 23 LEU HG . 26901 1 255 . 1 1 26 26 LEU HD11 H 1 0.784 0.020 . 1 . . . . 23 LEU HD1 . 26901 1 256 . 1 1 26 26 LEU HD12 H 1 0.784 0.020 . 1 . . . . 23 LEU HD1 . 26901 1 257 . 1 1 26 26 LEU HD13 H 1 0.784 0.020 . 1 . . . . 23 LEU HD1 . 26901 1 258 . 1 1 26 26 LEU HD21 H 1 0.784 0.020 . 1 . . . . 23 LEU HD2 . 26901 1 259 . 1 1 26 26 LEU HD22 H 1 0.784 0.020 . 1 . . . . 23 LEU HD2 . 26901 1 260 . 1 1 26 26 LEU HD23 H 1 0.784 0.020 . 1 . . . . 23 LEU HD2 . 26901 1 261 . 1 1 26 26 LEU C C 13 181.018 0.3 . 1 . . . . 23 LEU C . 26901 1 262 . 1 1 26 26 LEU CA C 13 57.614 0.3 . 1 . . . . 23 LEU CA . 26901 1 263 . 1 1 26 26 LEU CB C 13 41.383 0.3 . 1 . . . . 23 LEU CB . 26901 1 264 . 1 1 26 26 LEU CG C 13 27.228 0.3 . 1 . . . . 23 LEU CG . 26901 1 265 . 1 1 26 26 LEU CD1 C 13 24.428 0.3 . 1 . . . . 23 LEU CD1 . 26901 1 266 . 1 1 26 26 LEU CD2 C 13 23.261 0.3 . 1 . . . . 23 LEU CD2 . 26901 1 267 . 1 1 26 26 LEU N N 15 119.040 0.3 . 1 . . . . 23 LEU N . 26901 1 268 . 1 1 27 27 LEU H H 1 7.666 0.020 . 1 . . . . 24 LEU H . 26901 1 269 . 1 1 27 27 LEU HA H 1 4.068 0.020 . 1 . . . . 24 LEU HA . 26901 1 270 . 1 1 27 27 LEU HB2 H 1 1.817 0.020 . 2 . . . . 24 LEU HB2 . 26901 1 271 . 1 1 27 27 LEU HB3 H 1 1.630 0.020 . 2 . . . . 24 LEU HB3 . 26901 1 272 . 1 1 27 27 LEU HG H 1 1.443 0.020 . 1 . . . . 24 LEU HG . 26901 1 273 . 1 1 27 27 LEU HD11 H 1 0.884 0.020 . 1 . . . . 24 LEU HD1 . 26901 1 274 . 1 1 27 27 LEU HD12 H 1 0.884 0.020 . 1 . . . . 24 LEU HD1 . 26901 1 275 . 1 1 27 27 LEU HD13 H 1 0.884 0.020 . 1 . . . . 24 LEU HD1 . 26901 1 276 . 1 1 27 27 LEU HD21 H 1 0.884 0.020 . 1 . . . . 24 LEU HD2 . 26901 1 277 . 1 1 27 27 LEU HD22 H 1 0.884 0.020 . 1 . . . . 24 LEU HD2 . 26901 1 278 . 1 1 27 27 LEU HD23 H 1 0.884 0.020 . 1 . . . . 24 LEU HD2 . 26901 1 279 . 1 1 27 27 LEU C C 13 180.174 0.3 . 1 . . . . 24 LEU C . 26901 1 280 . 1 1 27 27 LEU CA C 13 57.847 0.3 . 1 . . . . 24 LEU CA . 26901 1 281 . 1 1 27 27 LEU CB C 13 41.461 0.3 . 1 . . . . 24 LEU CB . 26901 1 282 . 1 1 27 27 LEU CG C 13 26.761 0.3 . 1 . . . . 24 LEU CG . 26901 1 283 . 1 1 27 27 LEU CD1 C 13 23.883 0.3 . 1 . . . . 24 LEU CD1 . 26901 1 284 . 1 1 27 27 LEU CD2 C 13 23.883 0.3 . 1 . . . . 24 LEU CD2 . 26901 1 285 . 1 1 27 27 LEU N N 15 120.607 0.3 . 1 . . . . 24 LEU N . 26901 1 286 . 1 1 28 28 LYS H H 1 7.906 0.020 . 1 . . . . 25 LYS H . 26901 1 287 . 1 1 28 28 LYS HA H 1 3.981 0.020 . 1 . . . . 25 LYS HA . 26901 1 288 . 1 1 28 28 LYS HB2 H 1 1.829 0.020 . 2 . . . . 25 LYS HB2 . 26901 1 289 . 1 1 28 28 LYS HB3 H 1 1.630 0.020 . 2 . . . . 25 LYS HB3 . 26901 1 290 . 1 1 28 28 LYS HG2 H 1 1.431 0.020 . 1 . . . . 25 LYS HG2 . 26901 1 291 . 1 1 28 28 LYS HG3 H 1 1.431 0.020 . 1 . . . . 25 LYS HG3 . 26901 1 292 . 1 1 28 28 LYS HE2 H 1 2.849 0.020 . 1 . . . . 25 LYS HE2 . 26901 1 293 . 1 1 28 28 LYS HE3 H 1 2.849 0.020 . 1 . . . . 25 LYS HE3 . 26901 1 294 . 1 1 28 28 LYS C C 13 178.760 0.3 . 1 . . . . 25 LYS C . 26901 1 295 . 1 1 28 28 LYS CA C 13 58.610 0.3 . 1 . . . . 25 LYS CA . 26901 1 296 . 1 1 28 28 LYS CB C 13 33.216 0.3 . 1 . . . . 25 LYS CB . 26901 1 297 . 1 1 28 28 LYS CG C 13 26.217 0.3 . 1 . . . . 25 LYS CG . 26901 1 298 . 1 1 28 28 LYS CD C 13 29.794 0.3 . 1 . . . . 25 LYS CD . 26901 1 299 . 1 1 28 28 LYS CE C 13 42.005 0.3 . 1 . . . . 25 LYS CE . 26901 1 300 . 1 1 28 28 LYS N N 15 119.106 0.3 . 1 . . . . 25 LYS N . 26901 1 301 . 1 1 29 29 SER H H 1 8.012 0.020 . 1 . . . . 26 SER H . 26901 1 302 . 1 1 29 29 SER HA H 1 3.981 0.020 . 1 . . . . 26 SER HA . 26901 1 303 . 1 1 29 29 SER C C 13 178.623 0.3 . 1 . . . . 26 SER C . 26901 1 304 . 1 1 29 29 SER CA C 13 60.601 0.3 . 1 . . . . 26 SER CA . 26901 1 305 . 1 1 29 29 SER CB C 13 63.161 0.3 . 1 . . . . 26 SER CB . 26901 1 306 . 1 1 29 29 SER N N 15 113.731 0.3 . 1 . . . . 26 SER N . 26901 1 307 . 1 1 30 30 LYS H H 1 7.221 0.020 . 1 . . . . 27 LYS H . 26901 1 308 . 1 1 30 30 LYS HA H 1 4.354 0.020 . 1 . . . . 27 LYS HA . 26901 1 309 . 1 1 30 30 LYS HB2 H 1 2.003 0.020 . 2 . . . . 27 LYS HB2 . 26901 1 310 . 1 1 30 30 LYS HB3 H 1 1.692 0.020 . 2 . . . . 27 LYS HB3 . 26901 1 311 . 1 1 30 30 LYS HG2 H 1 1.518 0.020 . 1 . . . . 27 LYS HG2 . 26901 1 312 . 1 1 30 30 LYS HG3 H 1 1.518 0.020 . 1 . . . . 27 LYS HG3 . 26901 1 313 . 1 1 30 30 LYS HE2 H 1 2.948 0.020 . 1 . . . . 27 LYS HE2 . 26901 1 314 . 1 1 30 30 LYS HE3 H 1 2.948 0.020 . 1 . . . . 27 LYS HE3 . 26901 1 315 . 1 1 30 30 LYS C C 13 176.548 0.3 . 1 . . . . 27 LYS C . 26901 1 316 . 1 1 30 30 LYS CA C 13 55.856 0.3 . 1 . . . . 27 LYS CA . 26901 1 317 . 1 1 30 30 LYS CB C 13 32.672 0.3 . 1 . . . . 27 LYS CB . 26901 1 318 . 1 1 30 30 LYS CG C 13 24.428 0.3 . 1 . . . . 27 LYS CG . 26901 1 319 . 1 1 30 30 LYS CD C 13 28.550 0.3 . 1 . . . . 27 LYS CD . 26901 1 320 . 1 1 30 30 LYS CE C 13 42.005 0.3 . 1 . . . . 27 LYS CE . 26901 1 321 . 1 1 30 30 LYS N N 15 120.981 0.3 . 1 . . . . 27 LYS N . 26901 1 322 . 1 1 31 31 GLY H H 1 7.613 0.020 . 1 . . . . 28 GLY H . 26901 1 323 . 1 1 31 31 GLY HA2 H 1 4.254 0.020 . 2 . . . . 28 GLY HA2 . 26901 1 324 . 1 1 31 31 GLY HA3 H 1 3.695 0.020 . 2 . . . . 28 GLY HA3 . 26901 1 325 . 1 1 31 31 GLY C C 13 171.917 0.3 . 1 . . . . 28 GLY C . 26901 1 326 . 1 1 31 31 GLY CA C 13 44.341 0.3 . 1 . . . . 28 GLY CA . 26901 1 327 . 1 1 31 31 GLY N N 15 106.730 0.3 . 1 . . . . 28 GLY N . 26901 1 328 . 1 1 32 32 THR H H 1 7.064 0.020 . 1 . . . . 29 THR H . 26901 1 329 . 1 1 32 32 THR HA H 1 4.727 0.020 . 1 . . . . 29 THR HA . 26901 1 330 . 1 1 32 32 THR HB H 1 3.695 0.020 . 1 . . . . 29 THR HB . 26901 1 331 . 1 1 32 32 THR HG21 H 1 0.884 0.020 . 1 . . . . 29 THR HG2 . 26901 1 332 . 1 1 32 32 THR HG22 H 1 0.884 0.020 . 1 . . . . 29 THR HG2 . 26901 1 333 . 1 1 32 32 THR HG23 H 1 0.884 0.020 . 1 . . . . 29 THR HG2 . 26901 1 334 . 1 1 32 32 THR C C 13 174.312 0.3 . 1 . . . . 29 THR C . 26901 1 335 . 1 1 32 32 THR CA C 13 58.610 0.3 . 1 . . . . 29 THR CA . 26901 1 336 . 1 1 32 32 THR CB C 13 73.116 0.3 . 1 . . . . 29 THR CB . 26901 1 337 . 1 1 32 32 THR CG2 C 13 22.094 0.3 . 1 . . . . 29 THR CG2 . 26901 1 338 . 1 1 32 32 THR N N 15 106.292 0.3 . 1 . . . . 29 THR N . 26901 1 339 . 1 1 33 33 CYS H H 1 8.807 0.020 . 1 . . . . 30 CYS H . 26901 1 340 . 1 1 33 33 CYS HA H 1 3.981 0.020 . 1 . . . . 30 CYS HA . 26901 1 341 . 1 1 33 33 CYS HB2 H 1 3.135 0.020 . 2 . . . . 30 CYS HB2 . 26901 1 342 . 1 1 33 33 CYS HB3 H 1 2.662 0.020 . 2 . . . . 30 CYS HB3 . 26901 1 343 . 1 1 33 33 CYS C C 13 178.281 0.3 . 1 . . . . 30 CYS C . 26901 1 344 . 1 1 33 33 CYS CA C 13 59.871 0.3 . 1 . . . . 30 CYS CA . 26901 1 345 . 1 1 33 33 CYS CB C 13 30.339 0.3 . 1 . . . . 30 CYS CB . 26901 1 346 . 1 1 33 33 CYS N N 15 120.419 0.3 . 1 . . . . 30 CYS N . 26901 1 347 . 1 1 34 34 GLN H H 1 8.959 0.020 . 1 . . . . 31 GLN H . 26901 1 348 . 1 1 34 34 GLN HA H 1 3.981 0.020 . 1 . . . . 31 GLN HA . 26901 1 349 . 1 1 34 34 GLN HB2 H 1 2.103 0.020 . 2 . . . . 31 GLN HB2 . 26901 1 350 . 1 1 34 34 GLN HB3 H 1 1.729 0.020 . 2 . . . . 31 GLN HB3 . 26901 1 351 . 1 1 34 34 GLN HG2 H 1 2.476 0.020 . 1 . . . . 31 GLN HG2 . 26901 1 352 . 1 1 34 34 GLN HG3 H 1 2.476 0.020 . 1 . . . . 31 GLN HG3 . 26901 1 353 . 1 1 34 34 GLN C C 13 176.548 0.3 . 1 . . . . 31 GLN C . 26901 1 354 . 1 1 34 34 GLN CA C 13 57.648 0.3 . 1 . . . . 31 GLN CA . 26901 1 355 . 1 1 34 34 GLN CB C 13 27.928 0.3 . 1 . . . . 31 GLN CB . 26901 1 356 . 1 1 34 34 GLN CG C 13 34.383 0.3 . 1 . . . . 31 GLN CG . 26901 1 357 . 1 1 34 34 GLN N N 15 131.233 0.3 . 1 . . . . 31 GLN N . 26901 1 358 . 1 1 35 35 SER H H 1 9.122 0.020 . 1 . . . . 32 SER H . 26901 1 359 . 1 1 35 35 SER HA H 1 4.553 0.020 . 1 . . . . 32 SER HA . 26901 1 360 . 1 1 35 35 SER HB2 H 1 3.035 0.020 . 2 . . . . 32 SER HB2 . 26901 1 361 . 1 1 35 35 SER HB3 H 1 2.476 0.020 . 2 . . . . 32 SER HB3 . 26901 1 362 . 1 1 35 35 SER C C 13 173.970 0.3 . 1 . . . . 32 SER C . 26901 1 363 . 1 1 35 35 SER CA C 13 60.601 0.3 . 1 . . . . 32 SER CA . 26901 1 364 . 1 1 35 35 SER CB C 13 61.916 0.3 . 1 . . . . 32 SER CB . 26901 1 365 . 1 1 35 35 SER N N 15 116.918 0.3 . 1 . . . . 32 SER N . 26901 1 366 . 1 1 36 36 CYS H H 1 8.065 0.020 . 1 . . . . 33 CYS H . 26901 1 367 . 1 1 36 36 CYS HA H 1 5.001 0.020 . 1 . . . . 33 CYS HA . 26901 1 368 . 1 1 36 36 CYS HB2 H 1 3.322 0.020 . 2 . . . . 33 CYS HB2 . 26901 1 369 . 1 1 36 36 CYS HB3 H 1 2.849 0.020 . 2 . . . . 33 CYS HB3 . 26901 1 370 . 1 1 36 36 CYS C C 13 176.205 0.3 . 1 . . . . 33 CYS C . 26901 1 371 . 1 1 36 36 CYS CA C 13 58.875 0.3 . 1 . . . . 33 CYS CA . 26901 1 372 . 1 1 36 36 CYS CB C 13 32.672 0.3 . 1 . . . . 33 CYS CB . 26901 1 373 . 1 1 36 36 CYS N N 15 119.420 0.3 . 1 . . . . 33 CYS N . 26901 1 374 . 1 1 37 37 GLY H H 1 8.214 0.020 . 1 . . . . 34 GLY H . 26901 1 375 . 1 1 37 37 GLY HA2 H 1 4.068 0.020 . 2 . . . . 34 GLY HA2 . 26901 1 376 . 1 1 37 37 GLY HA3 H 1 3.794 0.020 . 2 . . . . 34 GLY HA3 . 26901 1 377 . 1 1 37 37 GLY C C 13 173.811 0.3 . 1 . . . . 34 GLY C . 26901 1 378 . 1 1 37 37 GLY CA C 13 46.100 0.3 . 1 . . . . 34 GLY CA . 26901 1 379 . 1 1 37 37 GLY N N 15 111.856 0.3 . 1 . . . . 34 GLY N . 26901 1 380 . 1 1 38 38 VAL H H 1 7.479 0.020 . 1 . . . . 35 VAL H . 26901 1 381 . 1 1 38 38 VAL HA H 1 4.167 0.020 . 1 . . . . 35 VAL HA . 26901 1 382 . 1 1 38 38 VAL HB H 1 1.817 0.020 . 1 . . . . 35 VAL HB . 26901 1 383 . 1 1 38 38 VAL HG11 H 1 0.598 0.020 . 2 . . . . 35 VAL HG1 . 26901 1 384 . 1 1 38 38 VAL HG12 H 1 0.598 0.020 . 2 . . . . 35 VAL HG1 . 26901 1 385 . 1 1 38 38 VAL HG13 H 1 0.598 0.020 . 2 . . . . 35 VAL HG1 . 26901 1 386 . 1 1 38 38 VAL HG21 H 1 0.511 0.020 . 2 . . . . 35 VAL HG2 . 26901 1 387 . 1 1 38 38 VAL HG22 H 1 0.511 0.020 . 2 . . . . 35 VAL HG2 . 26901 1 388 . 1 1 38 38 VAL HG23 H 1 0.511 0.020 . 2 . . . . 35 VAL HG2 . 26901 1 389 . 1 1 38 38 VAL C C 13 175.362 0.3 . 1 . . . . 35 VAL C . 26901 1 390 . 1 1 38 38 VAL CA C 13 62.625 0.3 . 1 . . . . 35 VAL CA . 26901 1 391 . 1 1 38 38 VAL CB C 13 32.050 0.3 . 1 . . . . 35 VAL CB . 26901 1 392 . 1 1 38 38 VAL CG1 C 13 20.928 0.3 . 1 . . . . 35 VAL CG1 . 26901 1 393 . 1 1 38 38 VAL CG2 C 13 19.761 0.3 . 1 . . . . 35 VAL CG2 . 26901 1 394 . 1 1 38 38 VAL N N 15 116.981 0.3 . 1 . . . . 35 VAL N . 26901 1 395 . 1 1 39 39 THR H H 1 7.648 0.020 . 1 . . . . 36 THR H . 26901 1 396 . 1 1 39 39 THR HA H 1 4.441 0.020 . 1 . . . . 36 THR HA . 26901 1 397 . 1 1 39 39 THR HB H 1 4.441 0.020 . 1 . . . . 36 THR HB . 26901 1 398 . 1 1 39 39 THR HG21 H 1 1.170 0.020 . 1 . . . . 36 THR HG2 . 26901 1 399 . 1 1 39 39 THR HG22 H 1 1.170 0.020 . 1 . . . . 36 THR HG2 . 26901 1 400 . 1 1 39 39 THR HG23 H 1 1.170 0.020 . 1 . . . . 36 THR HG2 . 26901 1 401 . 1 1 39 39 THR C C 13 174.997 0.3 . 1 . . . . 36 THR C . 26901 1 402 . 1 1 39 39 THR CA C 13 61.098 0.3 . 1 . . . . 36 THR CA . 26901 1 403 . 1 1 39 39 THR CB C 13 70.783 0.3 . 1 . . . . 36 THR CB . 26901 1 404 . 1 1 39 39 THR CG2 C 13 20.928 0.3 . 1 . . . . 36 THR CG2 . 26901 1 405 . 1 1 39 39 THR N N 15 110.731 0.3 . 1 . . . . 36 THR N . 26901 1 406 . 1 1 40 40 GLY H H 1 8.081 0.020 . 1 . . . . 37 GLY H . 26901 1 407 . 1 1 40 40 GLY HA2 H 1 3.884 0.020 . 2 . . . . 37 GLY HA2 . 26901 1 408 . 1 1 40 40 GLY HA3 H 1 3.697 0.020 . 2 . . . . 37 GLY HA3 . 26901 1 409 . 1 1 40 40 GLY C C 13 172.077 0.3 . 1 . . . . 37 GLY C . 26901 1 410 . 1 1 40 40 GLY CA C 13 44.109 0.3 . 1 . . . . 37 GLY CA . 26901 1 411 . 1 1 40 40 GLY N N 15 104.385 0.3 . 1 . . . . 37 GLY N . 26901 1 412 . 1 1 41 41 PRO HA H 1 4.354 0.020 . 1 . . . . 38 PRO HA . 26901 1 413 . 1 1 41 41 PRO HB2 H 1 2.302 0.020 . 2 . . . . 38 PRO HB2 . 26901 1 414 . 1 1 41 41 PRO HB3 H 1 2.103 0.020 . 2 . . . . 38 PRO HB3 . 26901 1 415 . 1 1 41 41 PRO HG2 H 1 1.642 0.020 . 1 . . . . 38 PRO HG2 . 26901 1 416 . 1 1 41 41 PRO HG3 H 1 1.642 0.020 . 1 . . . . 38 PRO HG3 . 26901 1 417 . 1 1 41 41 PRO HD2 H 1 3.458 0.020 . 1 . . . . 38 PRO HD2 . 26901 1 418 . 1 1 41 41 PRO HD3 H 1 3.458 0.020 . 1 . . . . 38 PRO HD3 . 26901 1 419 . 1 1 41 41 PRO C C 13 175.704 0.3 . 1 . . . . 38 PRO C . 26901 1 420 . 1 1 41 41 PRO CA C 13 62.127 0.3 . 1 . . . . 38 PRO CA . 26901 1 421 . 1 1 41 41 PRO CB C 13 35.550 0.3 . 1 . . . . 38 PRO CB . 26901 1 422 . 1 1 41 41 PRO CG C 13 24.428 0.3 . 1 . . . . 38 PRO CG . 26901 1 423 . 1 1 41 41 PRO CD C 13 50.250 0.3 . 1 . . . . 38 PRO CD . 26901 1 424 . 1 1 42 42 ASN H H 1 8.918 0.020 . 1 . . . . 39 ASN H . 26901 1 425 . 1 1 42 42 ASN HA H 1 3.981 0.020 . 1 . . . . 39 ASN HA . 26901 1 426 . 1 1 42 42 ASN HB2 H 1 3.135 0.020 . 2 . . . . 39 ASN HB2 . 26901 1 427 . 1 1 42 42 ASN HB3 H 1 2.948 0.020 . 2 . . . . 39 ASN HB3 . 26901 1 428 . 1 1 42 42 ASN C C 13 176.206 0.3 . 1 . . . . 39 ASN C . 26901 1 429 . 1 1 42 42 ASN CA C 13 55.623 0.3 . 1 . . . . 39 ASN CA . 26901 1 430 . 1 1 42 42 ASN CB C 13 36.250 0.3 . 1 . . . . 39 ASN CB . 26901 1 431 . 1 1 42 42 ASN N N 15 111.292 0.3 . 1 . . . . 39 ASN N . 26901 1 432 . 1 1 43 43 LEU H H 1 8.199 0.020 . 1 . . . . 40 LEU H . 26901 1 433 . 1 1 43 43 LEU HA H 1 4.540 0.020 . 1 . . . . 40 LEU HA . 26901 1 434 . 1 1 43 43 LEU HB2 H 1 1.543 0.020 . 2 . . . . 40 LEU HB2 . 26901 1 435 . 1 1 43 43 LEU HB3 H 1 0.884 0.020 . 2 . . . . 40 LEU HB3 . 26901 1 436 . 1 1 43 43 LEU HG H 1 1.170 0.020 . 1 . . . . 40 LEU HG . 26901 1 437 . 1 1 43 43 LEU HD11 H 1 0.411 0.020 . 1 . . . . 40 LEU HD1 . 26901 1 438 . 1 1 43 43 LEU HD12 H 1 0.411 0.020 . 1 . . . . 40 LEU HD1 . 26901 1 439 . 1 1 43 43 LEU HD13 H 1 0.411 0.020 . 1 . . . . 40 LEU HD1 . 26901 1 440 . 1 1 43 43 LEU HD21 H 1 0.411 0.020 . 1 . . . . 40 LEU HD2 . 26901 1 441 . 1 1 43 43 LEU HD22 H 1 0.411 0.020 . 1 . . . . 40 LEU HD2 . 26901 1 442 . 1 1 43 43 LEU HD23 H 1 0.411 0.020 . 1 . . . . 40 LEU HD2 . 26901 1 443 . 1 1 43 43 LEU C C 13 175.704 0.3 . 1 . . . . 40 LEU C . 26901 1 444 . 1 1 43 43 LEU CA C 13 55.092 0.3 . 1 . . . . 40 LEU CA . 26901 1 445 . 1 1 43 43 LEU CB C 13 43.172 0.3 . 1 . . . . 40 LEU CB . 26901 1 446 . 1 1 43 43 LEU CG C 13 25.594 0.3 . 1 . . . . 40 LEU CG . 26901 1 447 . 1 1 43 43 LEU CD1 C 13 21.550 0.3 . 1 . . . . 40 LEU CD1 . 26901 1 448 . 1 1 43 43 LEU CD2 C 13 21.550 0.3 . 1 . . . . 40 LEU CD2 . 26901 1 449 . 1 1 43 43 LEU N N 15 116.482 0.3 . 1 . . . . 40 LEU N . 26901 1 450 . 1 1 44 44 TRP H H 1 8.976 0.020 . 1 . . . . 41 TRP H . 26901 1 451 . 1 1 44 44 TRP HA H 1 5.287 0.020 . 1 . . . . 41 TRP HA . 26901 1 452 . 1 1 44 44 TRP HB2 H 1 3.322 0.020 . 2 . . . . 41 TRP HB2 . 26901 1 453 . 1 1 44 44 TRP HB3 H 1 2.849 0.020 . 2 . . . . 41 TRP HB3 . 26901 1 454 . 1 1 44 44 TRP C C 13 176.388 0.3 . 1 . . . . 41 TRP C . 26901 1 455 . 1 1 44 44 TRP CA C 13 55.623 0.3 . 1 . . . . 41 TRP CA . 26901 1 456 . 1 1 44 44 TRP CB C 13 29.716 0.3 . 1 . . . . 41 TRP CB . 26901 1 457 . 1 1 44 44 TRP N N 15 118.606 0.3 . 1 . . . . 41 TRP N . 26901 1 458 . 1 1 45 45 ALA H H 1 9.536 0.020 . 1 . . . . 42 ALA H . 26901 1 459 . 1 1 45 45 ALA HA H 1 5.100 0.020 . 1 . . . . 42 ALA HA . 26901 1 460 . 1 1 45 45 ALA HB1 H 1 1.356 0.020 . 1 . . . . 42 ALA HB . 26901 1 461 . 1 1 45 45 ALA HB2 H 1 1.356 0.020 . 1 . . . . 42 ALA HB . 26901 1 462 . 1 1 45 45 ALA HB3 H 1 1.356 0.020 . 1 . . . . 42 ALA HB . 26901 1 463 . 1 1 45 45 ALA C C 13 175.704 0.3 . 1 . . . . 42 ALA C . 26901 1 464 . 1 1 45 45 ALA CA C 13 49.883 0.3 . 1 . . . . 42 ALA CA . 26901 1 465 . 1 1 45 45 ALA CB C 13 20.928 0.3 . 1 . . . . 42 ALA CB . 26901 1 466 . 1 1 45 45 ALA N N 15 126.045 0.3 . 1 . . . . 42 ALA N . 26901 1 467 . 1 1 46 46 CYS H H 1 8.403 0.020 . 1 . . . . 43 CYS H . 26901 1 468 . 1 1 46 46 CYS HA H 1 4.441 0.020 . 1 . . . . 43 CYS HA . 26901 1 469 . 1 1 46 46 CYS HB2 H 1 3.135 0.020 . 2 . . . . 43 CYS HB2 . 26901 1 470 . 1 1 46 46 CYS HB3 H 1 2.948 0.020 . 2 . . . . 43 CYS HB3 . 26901 1 471 . 1 1 46 46 CYS C C 13 176.206 0.3 . 1 . . . . 43 CYS C . 26901 1 472 . 1 1 46 46 CYS CA C 13 61.132 0.3 . 1 . . . . 43 CYS CA . 26901 1 473 . 1 1 46 46 CYS CB C 13 30.339 0.3 . 1 . . . . 43 CYS CB . 26901 1 474 . 1 1 46 46 CYS N N 15 125.607 0.3 . 1 . . . . 43 CYS N . 26901 1 475 . 1 1 47 47 LEU H H 1 8.707 0.020 . 1 . . . . 44 LEU H . 26901 1 476 . 1 1 47 47 LEU HA H 1 4.628 0.020 . 1 . . . . 44 LEU HA . 26901 1 477 . 1 1 47 47 LEU HB2 H 1 1.729 0.020 . 2 . . . . 44 LEU HB2 . 26901 1 478 . 1 1 47 47 LEU HB3 H 1 1.443 0.020 . 2 . . . . 44 LEU HB3 . 26901 1 479 . 1 1 47 47 LEU HD11 H 1 0.784 0.020 . 1 . . . . 44 LEU HD1 . 26901 1 480 . 1 1 47 47 LEU HD12 H 1 0.784 0.020 . 1 . . . . 44 LEU HD1 . 26901 1 481 . 1 1 47 47 LEU HD13 H 1 0.784 0.020 . 1 . . . . 44 LEU HD1 . 26901 1 482 . 1 1 47 47 LEU HD21 H 1 0.784 0.020 . 1 . . . . 44 LEU HD2 . 26901 1 483 . 1 1 47 47 LEU HD22 H 1 0.784 0.020 . 1 . . . . 44 LEU HD2 . 26901 1 484 . 1 1 47 47 LEU HD23 H 1 0.784 0.020 . 1 . . . . 44 LEU HD2 . 26901 1 485 . 1 1 47 47 LEU C C 13 176.548 0.3 . 1 . . . . 44 LEU C . 26901 1 486 . 1 1 47 47 LEU CA C 13 54.130 0.3 . 1 . . . . 44 LEU CA . 26901 1 487 . 1 1 47 47 LEU CB C 13 42.627 0.3 . 1 . . . . 44 LEU CB . 26901 1 488 . 1 1 47 47 LEU CG C 13 26.761 0.3 . 1 . . . . 44 LEU CG . 26901 1 489 . 1 1 47 47 LEU CD1 C 13 23.183 0.3 . 1 . . . . 44 LEU CD1 . 26901 1 490 . 1 1 47 47 LEU CD2 C 13 22.717 0.3 . 1 . . . . 44 LEU CD2 . 26901 1 491 . 1 1 47 47 LEU N N 15 126.607 0.3 . 1 . . . . 44 LEU N . 26901 1 492 . 1 1 48 48 GLN H H 1 8.760 0.020 . 1 . . . . 45 GLN H . 26901 1 493 . 1 1 48 48 GLN HA H 1 3.881 0.020 . 1 . . . . 45 GLN HA . 26901 1 494 . 1 1 48 48 GLN HB2 H 1 1.530 0.020 . 2 . . . . 45 GLN HB2 . 26901 1 495 . 1 1 48 48 GLN HB3 H 1 1.356 0.020 . 2 . . . . 45 GLN HB3 . 26901 1 496 . 1 1 48 48 GLN HG2 H 1 2.190 0.020 . 1 . . . . 45 GLN HG2 . 26901 1 497 . 1 1 48 48 GLN HG3 H 1 2.190 0.020 . 1 . . . . 45 GLN HG3 . 26901 1 498 . 1 1 48 48 GLN C C 13 176.730 0.3 . 1 . . . . 45 GLN C . 26901 1 499 . 1 1 48 48 GLN CA C 13 56.851 0.3 . 1 . . . . 45 GLN CA . 26901 1 500 . 1 1 48 48 GLN CB C 13 26.761 0.3 . 1 . . . . 45 GLN CB . 26901 1 501 . 1 1 48 48 GLN CG C 13 29.716 0.3 . 1 . . . . 45 GLN CG . 26901 1 502 . 1 1 48 48 GLN N N 15 124.669 0.3 . 1 . . . . 45 GLN N . 26901 1 503 . 1 1 49 49 VAL H H 1 8.222 0.020 . 1 . . . . 46 VAL H . 26901 1 504 . 1 1 49 49 VAL HA H 1 3.595 0.020 . 1 . . . . 46 VAL HA . 26901 1 505 . 1 1 49 49 VAL HB H 1 1.817 0.020 . 1 . . . . 46 VAL HB . 26901 1 506 . 1 1 49 49 VAL HG11 H 1 0.884 0.020 . 1 . . . . 46 VAL HG1 . 26901 1 507 . 1 1 49 49 VAL HG12 H 1 0.884 0.020 . 1 . . . . 46 VAL HG1 . 26901 1 508 . 1 1 49 49 VAL HG13 H 1 0.884 0.020 . 1 . . . . 46 VAL HG1 . 26901 1 509 . 1 1 49 49 VAL HG21 H 1 0.884 0.020 . 1 . . . . 46 VAL HG2 . 26901 1 510 . 1 1 49 49 VAL HG22 H 1 0.884 0.020 . 1 . . . . 46 VAL HG2 . 26901 1 511 . 1 1 49 49 VAL HG23 H 1 0.884 0.020 . 1 . . . . 46 VAL HG2 . 26901 1 512 . 1 1 49 49 VAL C C 13 176.388 0.3 . 1 . . . . 46 VAL C . 26901 1 513 . 1 1 49 49 VAL CA C 13 65.114 0.3 . 1 . . . . 46 VAL CA . 26901 1 514 . 1 1 49 49 VAL CB C 13 31.428 0.3 . 1 . . . . 46 VAL CB . 26901 1 515 . 1 1 49 49 VAL CG1 C 13 21.550 0.3 . 1 . . . . 46 VAL CG1 . 26901 1 516 . 1 1 49 49 VAL CG2 C 13 20.305 0.3 . 1 . . . . 46 VAL CG2 . 26901 1 517 . 1 1 49 49 VAL N N 15 128.669 0.3 . 1 . . . . 46 VAL N . 26901 1 518 . 1 1 50 50 ALA H H 1 8.849 0.020 . 1 . . . . 47 ALA H . 26901 1 519 . 1 1 50 50 ALA HA H 1 3.881 0.020 . 1 . . . . 47 ALA HA . 26901 1 520 . 1 1 50 50 ALA HB1 H 1 1.443 0.020 . 1 . . . . 47 ALA HB . 26901 1 521 . 1 1 50 50 ALA HB2 H 1 1.443 0.020 . 1 . . . . 47 ALA HB . 26901 1 522 . 1 1 50 50 ALA HB3 H 1 1.443 0.020 . 1 . . . . 47 ALA HB . 26901 1 523 . 1 1 50 50 ALA C C 13 175.521 0.3 . 1 . . . . 47 ALA C . 26901 1 524 . 1 1 50 50 ALA CA C 13 53.566 0.3 . 1 . . . . 47 ALA CA . 26901 1 525 . 1 1 50 50 ALA CB C 13 17.428 0.3 . 1 . . . . 47 ALA CB . 26901 1 526 . 1 1 50 50 ALA N N 15 123.982 0.3 . 1 . . . . 47 ALA N . 26901 1 527 . 1 1 51 51 CYS H H 1 8.150 0.020 . 1 . . . . 48 CYS H . 26901 1 528 . 1 1 51 51 CYS HA H 1 4.928 0.020 . 1 . . . . 48 CYS HA . 26901 1 529 . 1 1 51 51 CYS HB2 H 1 3.224 0.020 . 2 . . . . 48 CYS HB2 . 26901 1 530 . 1 1 51 51 CYS HB3 H 1 2.379 0.020 . 2 . . . . 48 CYS HB3 . 26901 1 531 . 1 1 51 51 CYS C C 13 174.837 0.3 . 1 . . . . 48 CYS C . 26901 1 532 . 1 1 51 51 CYS CA C 13 56.353 0.3 . 1 . . . . 48 CYS CA . 26901 1 533 . 1 1 51 51 CYS CB C 13 30.883 0.3 . 1 . . . . 48 CYS CB . 26901 1 534 . 1 1 51 51 CYS N N 15 124.421 0.3 . 1 . . . . 48 CYS N . 26901 1 535 . 1 1 52 52 PRO HA H 1 4.814 0.020 . 1 . . . . 49 PRO HA . 26901 1 536 . 1 1 52 52 PRO HB2 H 1 2.190 0.020 . 2 . . . . 49 PRO HB2 . 26901 1 537 . 1 1 52 52 PRO HB3 H 1 2.003 0.020 . 2 . . . . 49 PRO HB3 . 26901 1 538 . 1 1 52 52 PRO HD2 H 1 4.068 0.020 . 1 . . . . 49 PRO HD2 . 26901 1 539 . 1 1 52 52 PRO HD3 H 1 4.068 0.020 . 1 . . . . 49 PRO HD3 . 26901 1 540 . 1 1 52 52 PRO C C 13 176.890 0.3 . 1 . . . . 49 PRO C . 26901 1 541 . 1 1 52 52 PRO CA C 13 62.625 0.3 . 1 . . . . 49 PRO CA . 26901 1 542 . 1 1 52 52 PRO CB C 13 32.050 0.3 . 1 . . . . 49 PRO CB . 26901 1 543 . 1 1 52 52 PRO CG C 13 25.594 0.3 . 1 . . . . 49 PRO CG . 26901 1 544 . 1 1 52 52 PRO CD C 13 50.250 0.3 . 1 . . . . 49 PRO CD . 26901 1 545 . 1 1 53 53 TYR H H 1 8.362 0.020 . 1 . . . . 50 TYR H . 26901 1 546 . 1 1 53 53 TYR HA H 1 3.971 0.020 . 1 . . . . 50 TYR HA . 26901 1 547 . 1 1 53 53 TYR HB2 H 1 2.578 0.020 . 2 . . . . 50 TYR HB2 . 26901 1 548 . 1 1 53 53 TYR HB3 H 1 2.003 0.020 . 2 . . . . 50 TYR HB3 . 26901 1 549 . 1 1 53 53 TYR C C 13 174.472 0.3 . 1 . . . . 50 TYR C . 26901 1 550 . 1 1 53 53 TYR CA C 13 62.625 0.3 . 1 . . . . 50 TYR CA . 26901 1 551 . 1 1 53 53 TYR CB C 13 40.294 0.3 . 1 . . . . 50 TYR CB . 26901 1 552 . 1 1 53 53 TYR N N 15 124.233 0.3 . 1 . . . . 50 TYR N . 26901 1 553 . 1 1 54 54 VAL H H 1 5.384 0.020 . 1 . . . . 51 VAL H . 26901 1 554 . 1 1 54 54 VAL HA H 1 4.628 0.020 . 1 . . . . 51 VAL HA . 26901 1 555 . 1 1 54 54 VAL HB H 1 1.630 0.020 . 1 . . . . 51 VAL HB . 26901 1 556 . 1 1 54 54 VAL HG11 H 1 0.884 0.020 . 2 . . . . 51 VAL HG1 . 26901 1 557 . 1 1 54 54 VAL HG12 H 1 0.884 0.020 . 2 . . . . 51 VAL HG1 . 26901 1 558 . 1 1 54 54 VAL HG13 H 1 0.884 0.020 . 2 . . . . 51 VAL HG1 . 26901 1 559 . 1 1 54 54 VAL HG21 H 1 0.511 0.020 . 2 . . . . 51 VAL HG2 . 26901 1 560 . 1 1 54 54 VAL HG22 H 1 0.511 0.020 . 2 . . . . 51 VAL HG2 . 26901 1 561 . 1 1 54 54 VAL HG23 H 1 0.511 0.020 . 2 . . . . 51 VAL HG2 . 26901 1 562 . 1 1 54 54 VAL C C 13 173.286 0.3 . 1 . . . . 51 VAL C . 26901 1 563 . 1 1 54 54 VAL CA C 13 61.065 0.3 . 1 . . . . 51 VAL CA . 26901 1 564 . 1 1 54 54 VAL CB C 13 35.005 0.3 . 1 . . . . 51 VAL CB . 26901 1 565 . 1 1 54 54 VAL CG1 C 13 22.094 0.3 . 1 . . . . 51 VAL CG1 . 26901 1 566 . 1 1 54 54 VAL CG2 C 13 21.550 0.3 . 1 . . . . 51 VAL CG2 . 26901 1 567 . 1 1 54 54 VAL N N 15 128.732 0.3 . 1 . . . . 51 VAL N . 26901 1 568 . 1 1 55 55 GLY H H 1 9.023 0.020 . 1 . . . . 52 GLY H . 26901 1 569 . 1 1 55 55 GLY HA2 H 1 6.033 0.020 . 2 . . . . 52 GLY HA2 . 26901 1 570 . 1 1 55 55 GLY HA3 H 1 3.508 0.020 . 2 . . . . 52 GLY HA3 . 26901 1 571 . 1 1 55 55 GLY C C 13 172.260 0.3 . 1 . . . . 52 GLY C . 26901 1 572 . 1 1 55 55 GLY CA C 13 44.340 0.3 . 1 . . . . 52 GLY CA . 26901 1 573 . 1 1 55 55 GLY N N 15 111.668 0.3 . 1 . . . . 52 GLY N . 26901 1 574 . 1 1 56 56 CYS H H 1 8.970 0.020 . 1 . . . . 53 CYS H . 26901 1 575 . 1 1 56 56 CYS HA H 1 5.001 0.020 . 1 . . . . 53 CYS HA . 26901 1 576 . 1 1 56 56 CYS HB2 H 1 3.322 0.020 . 2 . . . . 53 CYS HB2 . 26901 1 577 . 1 1 56 56 CYS HB3 H 1 2.849 0.020 . 2 . . . . 53 CYS HB3 . 26901 1 578 . 1 1 56 56 CYS C C 13 174.837 0.3 . 1 . . . . 53 CYS C . 26901 1 579 . 1 1 56 56 CYS CA C 13 57.349 0.3 . 1 . . . . 53 CYS CA . 26901 1 580 . 1 1 56 56 CYS CB C 13 32.050 0.3 . 1 . . . . 53 CYS CB . 26901 1 581 . 1 1 56 56 CYS N N 15 117.856 0.3 . 1 . . . . 53 CYS N . 26901 1 582 . 1 1 57 57 GLY H H 1 9.070 0.020 . 1 . . . . 54 GLY H . 26901 1 583 . 1 1 57 57 GLY HA2 H 1 4.914 0.020 . 2 . . . . 54 GLY HA2 . 26901 1 584 . 1 1 57 57 GLY HA3 H 1 4.068 0.020 . 2 . . . . 54 GLY HA3 . 26901 1 585 . 1 1 57 57 GLY C C 13 176.548 0.3 . 1 . . . . 54 GLY C . 26901 1 586 . 1 1 57 57 GLY CA C 13 44.108 0.3 . 1 . . . . 54 GLY CA . 26901 1 587 . 1 1 57 57 GLY N N 15 106.666 0.3 . 1 . . . . 54 GLY N . 26901 1 588 . 1 1 58 58 GLU H H 1 8.748 0.020 . 1 . . . . 55 GLU H . 26901 1 589 . 1 1 58 58 GLU HA H 1 3.794 0.020 . 1 . . . . 55 GLU HA . 26901 1 590 . 1 1 58 58 GLU HB2 H 1 1.916 0.020 . 1 . . . . 55 GLU HB2 . 26901 1 591 . 1 1 58 58 GLU HB3 H 1 1.916 0.020 . 1 . . . . 55 GLU HB3 . 26901 1 592 . 1 1 58 58 GLU HG2 H 1 2.103 0.020 . 1 . . . . 55 GLU HG2 . 26901 1 593 . 1 1 58 58 GLU HG3 H 1 2.103 0.020 . 1 . . . . 55 GLU HG3 . 26901 1 594 . 1 1 58 58 GLU C C 13 176.388 0.3 . 1 . . . . 55 GLU C . 26901 1 595 . 1 1 58 58 GLU CA C 13 58.610 0.3 . 1 . . . . 55 GLU CA . 26901 1 596 . 1 1 58 58 GLU CB C 13 29.094 0.3 . 1 . . . . 55 GLU CB . 26901 1 597 . 1 1 58 58 GLU CG C 13 35.005 0.3 . 1 . . . . 55 GLU CG . 26901 1 598 . 1 1 58 58 GLU N N 15 120.482 0.3 . 1 . . . . 55 GLU N . 26901 1 599 . 1 1 59 59 SER H H 1 8.450 0.020 . 1 . . . . 56 SER H . 26901 1 600 . 1 1 59 59 SER HA H 1 4.167 0.020 . 1 . . . . 56 SER HA . 26901 1 601 . 1 1 59 59 SER HB2 H 1 3.583 0.020 . 2 . . . . 56 SER HB2 . 26901 1 602 . 1 1 59 59 SER HB3 H 1 3.521 0.020 . 2 . . . . 56 SER HB3 . 26901 1 603 . 1 1 59 59 SER C C 13 173.468 0.3 . 1 . . . . 56 SER C . 26901 1 604 . 1 1 59 59 SER CA C 13 60.103 0.3 . 1 . . . . 56 SER CA . 26901 1 605 . 1 1 59 59 SER CB C 13 62.538 0.3 . 1 . . . . 56 SER CB . 26901 1 606 . 1 1 59 59 SER N N 15 114.481 0.3 . 1 . . . . 56 SER N . 26901 1 607 . 1 1 60 60 PHE H H 1 7.765 0.020 . 1 . . . . 57 PHE H . 26901 1 608 . 1 1 60 60 PHE HA H 1 4.727 0.020 . 1 . . . . 57 PHE HA . 26901 1 609 . 1 1 60 60 PHE HB2 H 1 3.508 0.020 . 2 . . . . 57 PHE HB2 . 26901 1 610 . 1 1 60 60 PHE HB3 H 1 2.948 0.020 . 2 . . . . 57 PHE HB3 . 26901 1 611 . 1 1 60 60 PHE C C 13 173.970 0.3 . 1 . . . . 57 PHE C . 26901 1 612 . 1 1 60 60 PHE CA C 13 57.847 0.3 . 1 . . . . 57 PHE CA . 26901 1 613 . 1 1 60 60 PHE CB C 13 39.672 0.3 . 1 . . . . 57 PHE CB . 26901 1 614 . 1 1 60 60 PHE N N 15 121.232 0.3 . 1 . . . . 57 PHE N . 26901 1 615 . 1 1 61 61 ALA H H 1 8.193 0.020 . 1 . . . . 58 ALA H . 26901 1 616 . 1 1 61 61 ALA HA H 1 4.254 0.020 . 1 . . . . 58 ALA HA . 26901 1 617 . 1 1 61 61 ALA HB1 H 1 0.697 0.020 . 1 . . . . 58 ALA HB . 26901 1 618 . 1 1 61 61 ALA HB2 H 1 0.697 0.020 . 1 . . . . 58 ALA HB . 26901 1 619 . 1 1 61 61 ALA HB3 H 1 0.697 0.020 . 1 . . . . 58 ALA HB . 26901 1 620 . 1 1 61 61 ALA C C 13 175.179 0.3 . 1 . . . . 58 ALA C . 26901 1 621 . 1 1 61 61 ALA CA C 13 51.343 0.3 . 1 . . . . 58 ALA CA . 26901 1 622 . 1 1 61 61 ALA CB C 13 19.139 0.3 . 1 . . . . 58 ALA CB . 26901 1 623 . 1 1 61 61 ALA N N 15 126.857 0.3 . 1 . . . . 58 ALA N . 26901 1 624 . 1 1 62 62 ASP H H 1 7.988 0.020 . 1 . . . . 59 ASP H . 26901 1 625 . 1 1 62 62 ASP HA H 1 4.242 0.020 . 1 . . . . 59 ASP HA . 26901 1 626 . 1 1 62 62 ASP HB2 H 1 3.222 0.020 . 2 . . . . 59 ASP HB2 . 26901 1 627 . 1 1 62 62 ASP HB3 H 1 1.817 0.020 . 2 . . . . 59 ASP HB3 . 26901 1 628 . 1 1 62 62 ASP C C 13 176.206 0.3 . 1 . . . . 59 ASP C . 26901 1 629 . 1 1 62 62 ASP CA C 13 53.400 0.3 . 1 . . . . 59 ASP CA . 26901 1 630 . 1 1 62 62 ASP CB C 13 39.127 0.3 . 1 . . . . 59 ASP CB . 26901 1 631 . 1 1 62 62 ASP N N 15 120.169 0.3 . 1 . . . . 59 ASP N . 26901 1 632 . 1 1 63 63 HIS H H 1 8.469 0.020 . 1 . . . . 60 HIS H . 26901 1 633 . 1 1 63 63 HIS HA H 1 4.254 0.020 . 1 . . . . 60 HIS HA . 26901 1 634 . 1 1 63 63 HIS HB2 H 1 3.981 0.020 . 2 . . . . 60 HIS HB2 . 26901 1 635 . 1 1 63 63 HIS HB3 H 1 3.695 0.020 . 2 . . . . 60 HIS HB3 . 26901 1 636 . 1 1 63 63 HIS C C 13 178.281 0.3 . 1 . . . . 60 HIS C . 26901 1 637 . 1 1 63 63 HIS CA C 13 62.625 0.3 . 1 . . . . 60 HIS CA . 26901 1 638 . 1 1 63 63 HIS CB C 13 29.094 0.3 . 1 . . . . 60 HIS CB . 26901 1 639 . 1 1 63 63 HIS N N 15 118.419 0.3 . 1 . . . . 60 HIS N . 26901 1 640 . 1 1 64 64 SER H H 1 9.649 0.020 . 1 . . . . 61 SER H . 26901 1 641 . 1 1 64 64 SER HA H 1 4.354 0.020 . 1 . . . . 61 SER HA . 26901 1 642 . 1 1 64 64 SER HB2 H 1 3.695 0.020 . 1 . . . . 61 SER HB2 . 26901 1 643 . 1 1 64 64 SER HB3 H 1 3.695 0.020 . 1 . . . . 61 SER HB3 . 26901 1 644 . 1 1 64 64 SER C C 13 177.072 0.3 . 1 . . . . 61 SER C . 26901 1 645 . 1 1 64 64 SER CA C 13 61.862 0.3 . 1 . . . . 61 SER CA . 26901 1 646 . 1 1 64 64 SER CB C 13 62.538 0.3 . 1 . . . . 61 SER CB . 26901 1 647 . 1 1 64 64 SER N N 15 114.544 0.3 . 1 . . . . 61 SER N . 26901 1 648 . 1 1 65 65 THR H H 1 7.256 0.020 . 1 . . . . 62 THR H . 26901 1 649 . 1 1 65 65 THR HA H 1 3.794 0.020 . 1 . . . . 62 THR HA . 26901 1 650 . 1 1 65 65 THR HB H 1 3.409 0.020 . 1 . . . . 62 THR HB . 26901 1 651 . 1 1 65 65 THR HG21 H 1 0.971 0.020 . 1 . . . . 62 THR HG2 . 26901 1 652 . 1 1 65 65 THR HG22 H 1 0.971 0.020 . 1 . . . . 62 THR HG2 . 26901 1 653 . 1 1 65 65 THR HG23 H 1 0.971 0.020 . 1 . . . . 62 THR HG2 . 26901 1 654 . 1 1 65 65 THR C C 13 175.521 0.3 . 1 . . . . 62 THR C . 26901 1 655 . 1 1 65 65 THR CA C 13 66.109 0.3 . 1 . . . . 62 THR CA . 26901 1 656 . 1 1 65 65 THR CB C 13 67.205 0.3 . 1 . . . . 62 THR CB . 26901 1 657 . 1 1 65 65 THR CG2 C 13 21.550 0.3 . 1 . . . . 62 THR CG2 . 26901 1 658 . 1 1 65 65 THR N N 15 122.107 0.3 . 1 . . . . 62 THR N . 26901 1 659 . 1 1 66 66 ILE H H 1 7.672 0.020 . 1 . . . . 63 ILE H . 26901 1 660 . 1 1 66 66 ILE HA H 1 3.508 0.020 . 1 . . . . 63 ILE HA . 26901 1 661 . 1 1 66 66 ILE HB H 1 1.729 0.020 . 1 . . . . 63 ILE HB . 26901 1 662 . 1 1 66 66 ILE HG21 H 1 0.884 0.020 . 1 . . . . 63 ILE HG2 . 26901 1 663 . 1 1 66 66 ILE HG22 H 1 0.884 0.020 . 1 . . . . 63 ILE HG2 . 26901 1 664 . 1 1 66 66 ILE HG23 H 1 0.884 0.020 . 1 . . . . 63 ILE HG2 . 26901 1 665 . 1 1 66 66 ILE HD11 H 1 0.884 0.020 . 1 . . . . 63 ILE HD1 . 26901 1 666 . 1 1 66 66 ILE HD12 H 1 0.884 0.020 . 1 . . . . 63 ILE HD1 . 26901 1 667 . 1 1 66 66 ILE HD13 H 1 0.884 0.020 . 1 . . . . 63 ILE HD1 . 26901 1 668 . 1 1 66 66 ILE C C 13 178.623 0.3 . 1 . . . . 63 ILE C . 26901 1 669 . 1 1 66 66 ILE CA C 13 65.114 0.3 . 1 . . . . 63 ILE CA . 26901 1 670 . 1 1 66 66 ILE CB C 13 37.961 0.3 . 1 . . . . 63 ILE CB . 26901 1 671 . 1 1 66 66 ILE CG1 C 13 28.550 0.3 . 1 . . . . 63 ILE CG1 . 26901 1 672 . 1 1 66 66 ILE CG2 C 13 16.805 0.3 . 1 . . . . 63 ILE CG2 . 26901 1 673 . 1 1 66 66 ILE CD1 C 13 12.683 0.3 . 1 . . . . 63 ILE CD1 . 26901 1 674 . 1 1 66 66 ILE N N 15 121.481 0.3 . 1 . . . . 63 ILE N . 26901 1 675 . 1 1 67 67 HIS H H 1 8.251 0.020 . 1 . . . . 64 HIS H . 26901 1 676 . 1 1 67 67 HIS HA H 1 3.794 0.020 . 1 . . . . 64 HIS HA . 26901 1 677 . 1 1 67 67 HIS HB2 H 1 3.035 0.020 . 2 . . . . 64 HIS HB2 . 26901 1 678 . 1 1 67 67 HIS HB3 H 1 2.289 0.020 . 2 . . . . 64 HIS HB3 . 26901 1 679 . 1 1 67 67 HIS C C 13 175.704 0.3 . 1 . . . . 64 HIS C . 26901 1 680 . 1 1 67 67 HIS CA C 13 59.605 0.3 . 1 . . . . 64 HIS CA . 26901 1 681 . 1 1 67 67 HIS CB C 13 28.550 0.3 . 1 . . . . 64 HIS CB . 26901 1 682 . 1 1 67 67 HIS N N 15 119.106 0.3 . 1 . . . . 64 HIS N . 26901 1 683 . 1 1 68 68 ALA H H 1 7.725 0.020 . 1 . . . . 65 ALA H . 26901 1 684 . 1 1 68 68 ALA HA H 1 3.794 0.020 . 1 . . . . 65 ALA HA . 26901 1 685 . 1 1 68 68 ALA HB1 H 1 0.884 0.020 . 1 . . . . 65 ALA HB . 26901 1 686 . 1 1 68 68 ALA HB2 H 1 0.884 0.020 . 1 . . . . 65 ALA HB . 26901 1 687 . 1 1 68 68 ALA HB3 H 1 0.884 0.020 . 1 . . . . 65 ALA HB . 26901 1 688 . 1 1 68 68 ALA C C 13 182.045 0.3 . 1 . . . . 65 ALA C . 26901 1 689 . 1 1 68 68 ALA CA C 13 55.856 0.3 . 1 . . . . 65 ALA CA . 26901 1 690 . 1 1 68 68 ALA CB C 13 19.761 0.3 . 1 . . . . 65 ALA CB . 26901 1 691 . 1 1 68 68 ALA N N 15 120.856 0.3 . 1 . . . . 65 ALA N . 26901 1 692 . 1 1 69 69 GLN H H 1 7.988 0.020 . 1 . . . . 66 GLN H . 26901 1 693 . 1 1 69 69 GLN HA H 1 3.794 0.020 . 1 . . . . 66 GLN HA . 26901 1 694 . 1 1 69 69 GLN HB2 H 1 1.817 0.020 . 1 . . . . 66 GLN HB2 . 26901 1 695 . 1 1 69 69 GLN HB3 H 1 1.817 0.020 . 1 . . . . 66 GLN HB3 . 26901 1 696 . 1 1 69 69 GLN HG2 H 1 2.289 0.020 . 2 . . . . 66 GLN HG2 . 26901 1 697 . 1 1 69 69 GLN HG3 H 1 2.103 0.020 . 2 . . . . 66 GLN HG3 . 26901 1 698 . 1 1 69 69 GLN C C 13 177.939 0.3 . 1 . . . . 66 GLN C . 26901 1 699 . 1 1 69 69 GLN CA C 13 57.648 0.3 . 1 . . . . 66 GLN CA . 26901 1 700 . 1 1 69 69 GLN CB C 13 27.928 0.3 . 1 . . . . 66 GLN CB . 26901 1 701 . 1 1 69 69 GLN CG C 13 33.216 0.3 . 1 . . . . 66 GLN CG . 26901 1 702 . 1 1 69 69 GLN N N 15 114.548 0.3 . 1 . . . . 66 GLN N . 26901 1 703 . 1 1 70 70 ALA H H 1 8.105 0.020 . 1 . . . . 67 ALA H . 26901 1 704 . 1 1 70 70 ALA HA H 1 3.894 0.020 . 1 . . . . 67 ALA HA . 26901 1 705 . 1 1 70 70 ALA HB1 H 1 1.257 0.020 . 1 . . . . 67 ALA HB . 26901 1 706 . 1 1 70 70 ALA HB2 H 1 1.257 0.020 . 1 . . . . 67 ALA HB . 26901 1 707 . 1 1 70 70 ALA HB3 H 1 1.257 0.020 . 1 . . . . 67 ALA HB . 26901 1 708 . 1 1 70 70 ALA C C 13 179.992 0.3 . 1 . . . . 67 ALA C . 26901 1 709 . 1 1 70 70 ALA CA C 13 54.595 0.3 . 1 . . . . 67 ALA CA . 26901 1 710 . 1 1 70 70 ALA CB C 13 18.594 0.3 . 1 . . . . 67 ALA CB . 26901 1 711 . 1 1 70 70 ALA N N 15 121.294 0.3 . 1 . . . . 67 ALA N . 26901 1 712 . 1 1 71 71 LYS H H 1 7.724 0.020 . 1 . . . . 68 LYS H . 26901 1 713 . 1 1 71 71 LYS HA H 1 3.794 0.020 . 1 . . . . 68 LYS HA . 26901 1 714 . 1 1 71 71 LYS HB2 H 1 0.137 0.020 . 1 . . . . 68 LYS HB2 . 26901 1 715 . 1 1 71 71 LYS HB3 H 1 0.137 0.020 . 1 . . . . 68 LYS HB3 . 26901 1 716 . 1 1 71 71 LYS C C 13 175.521 0.3 . 1 . . . . 68 LYS C . 26901 1 717 . 1 1 71 71 LYS CA C 13 53.599 0.3 . 1 . . . . 68 LYS CA . 26901 1 718 . 1 1 71 71 LYS CB C 13 29.094 0.3 . 1 . . . . 68 LYS CB . 26901 1 719 . 1 1 71 71 LYS CG C 13 24.428 0.3 . 1 . . . . 68 LYS CG . 26901 1 720 . 1 1 71 71 LYS CD C 13 27.383 0.3 . 1 . . . . 68 LYS CD . 26901 1 721 . 1 1 71 71 LYS CE C 13 41.461 0.3 . 1 . . . . 68 LYS CE . 26901 1 722 . 1 1 71 71 LYS N N 15 112.105 0.3 . 1 . . . . 68 LYS N . 26901 1 723 . 1 1 72 72 LYS H H 1 7.221 0.020 . 1 . . . . 69 LYS H . 26901 1 724 . 1 1 72 72 LYS HA H 1 3.695 0.020 . 1 . . . . 69 LYS HA . 26901 1 725 . 1 1 72 72 LYS HB2 H 1 2.003 0.020 . 2 . . . . 69 LYS HB2 . 26901 1 726 . 1 1 72 72 LYS HB3 H 1 1.729 0.020 . 2 . . . . 69 LYS HB3 . 26901 1 727 . 1 1 72 72 LYS HG2 H 1 1.170 0.020 . 1 . . . . 69 LYS HG2 . 26901 1 728 . 1 1 72 72 LYS HG3 H 1 1.170 0.020 . 1 . . . . 69 LYS HG3 . 26901 1 729 . 1 1 72 72 LYS HD2 H 1 1.543 0.020 . 1 . . . . 69 LYS HD2 . 26901 1 730 . 1 1 72 72 LYS HD3 H 1 1.543 0.020 . 1 . . . . 69 LYS HD3 . 26901 1 731 . 1 1 72 72 LYS HE2 H 1 2.886 0.020 . 1 . . . . 69 LYS HE2 . 26901 1 732 . 1 1 72 72 LYS HE3 H 1 2.886 0.020 . 1 . . . . 69 LYS HE3 . 26901 1 733 . 1 1 72 72 LYS C C 13 175.863 0.3 . 1 . . . . 69 LYS C . 26901 1 734 . 1 1 72 72 LYS CA C 13 56.619 0.3 . 1 . . . . 69 LYS CA . 26901 1 735 . 1 1 72 72 LYS CB C 13 27.928 0.3 . 1 . . . . 69 LYS CB . 26901 1 736 . 1 1 72 72 LYS CG C 13 24.428 0.3 . 1 . . . . 69 LYS CG . 26901 1 737 . 1 1 72 72 LYS CD C 13 24.428 0.3 . 1 . . . . 69 LYS CD . 26901 1 738 . 1 1 72 72 LYS CE C 13 42.005 0.3 . 1 . . . . 69 LYS CE . 26901 1 739 . 1 1 72 72 LYS N N 15 116.106 0.3 . 1 . . . . 69 LYS N . 26901 1 740 . 1 1 73 73 HIS H H 1 7.356 0.020 . 1 . . . . 70 HIS H . 26901 1 741 . 1 1 73 73 HIS HA H 1 4.814 0.020 . 1 . . . . 70 HIS HA . 26901 1 742 . 1 1 73 73 HIS HB2 H 1 3.309 0.020 . 2 . . . . 70 HIS HB2 . 26901 1 743 . 1 1 73 73 HIS HB3 H 1 2.662 0.020 . 2 . . . . 70 HIS HB3 . 26901 1 744 . 1 1 73 73 HIS C C 13 174.997 0.3 . 1 . . . . 70 HIS C . 26901 1 745 . 1 1 73 73 HIS CA C 13 52.372 0.3 . 1 . . . . 70 HIS CA . 26901 1 746 . 1 1 73 73 HIS CB C 13 32.672 0.3 . 1 . . . . 70 HIS CB . 26901 1 747 . 1 1 73 73 HIS N N 15 119.669 0.3 . 1 . . . . 70 HIS N . 26901 1 748 . 1 1 74 74 ASN H H 1 8.596 0.020 . 1 . . . . 71 ASN H . 26901 1 749 . 1 1 74 74 ASN HA H 1 4.553 0.020 . 1 . . . . 71 ASN HA . 26901 1 750 . 1 1 74 74 ASN HB2 H 1 2.849 0.020 . 2 . . . . 71 ASN HB2 . 26901 1 751 . 1 1 74 74 ASN HB3 H 1 2.476 0.020 . 2 . . . . 71 ASN HB3 . 26901 1 752 . 1 1 74 74 ASN C C 13 173.628 0.3 . 1 . . . . 71 ASN C . 26901 1 753 . 1 1 74 74 ASN CA C 13 56.619 0.3 . 1 . . . . 71 ASN CA . 26901 1 754 . 1 1 74 74 ASN CB C 13 40.294 0.3 . 1 . . . . 71 ASN CB . 26901 1 755 . 1 1 74 74 ASN N N 15 119.732 0.3 . 1 . . . . 71 ASN N . 26901 1 756 . 1 1 75 75 LEU H H 1 9.063 0.020 . 1 . . . . 72 LEU H . 26901 1 757 . 1 1 75 75 LEU HA H 1 5.573 0.020 . 1 . . . . 72 LEU HA . 26901 1 758 . 1 1 75 75 LEU HB2 H 1 1.729 0.020 . 2 . . . . 72 LEU HB2 . 26901 1 759 . 1 1 75 75 LEU HB3 H 1 1.356 0.020 . 2 . . . . 72 LEU HB3 . 26901 1 760 . 1 1 75 75 LEU HD11 H 1 0.884 0.020 . 1 . . . . 72 LEU HD1 . 26901 1 761 . 1 1 75 75 LEU HD12 H 1 0.884 0.020 . 1 . . . . 72 LEU HD1 . 26901 1 762 . 1 1 75 75 LEU HD13 H 1 0.884 0.020 . 1 . . . . 72 LEU HD1 . 26901 1 763 . 1 1 75 75 LEU HD21 H 1 0.884 0.020 . 1 . . . . 72 LEU HD2 . 26901 1 764 . 1 1 75 75 LEU HD22 H 1 0.884 0.020 . 1 . . . . 72 LEU HD2 . 26901 1 765 . 1 1 75 75 LEU HD23 H 1 0.884 0.020 . 1 . . . . 72 LEU HD2 . 26901 1 766 . 1 1 75 75 LEU C C 13 175.704 0.3 . 1 . . . . 72 LEU C . 26901 1 767 . 1 1 75 75 LEU CA C 13 53.632 0.3 . 1 . . . . 72 LEU CA . 26901 1 768 . 1 1 75 75 LEU CB C 13 45.427 0.3 . 1 . . . . 72 LEU CB . 26901 1 769 . 1 1 75 75 LEU CG C 13 28.550 0.3 . 1 . . . . 72 LEU CG . 26901 1 770 . 1 1 75 75 LEU CD1 C 13 25.594 0.3 . 1 . . . . 72 LEU CD1 . 26901 1 771 . 1 1 75 75 LEU CD2 C 13 25.594 0.3 . 1 . . . . 72 LEU CD2 . 26901 1 772 . 1 1 75 75 LEU N N 15 121.107 0.3 . 1 . . . . 72 LEU N . 26901 1 773 . 1 1 76 76 THR H H 1 8.660 0.020 . 1 . . . . 73 THR H . 26901 1 774 . 1 1 76 76 THR HA H 1 5.473 0.020 . 1 . . . . 73 THR HA . 26901 1 775 . 1 1 76 76 THR HB H 1 4.441 0.020 . 1 . . . . 73 THR HB . 26901 1 776 . 1 1 76 76 THR HG21 H 1 1.356 0.020 . 1 . . . . 73 THR HG2 . 26901 1 777 . 1 1 76 76 THR HG22 H 1 1.356 0.020 . 1 . . . . 73 THR HG2 . 26901 1 778 . 1 1 76 76 THR HG23 H 1 1.356 0.020 . 1 . . . . 73 THR HG2 . 26901 1 779 . 1 1 76 76 THR C C 13 171.735 0.3 . 1 . . . . 73 THR C . 26901 1 780 . 1 1 76 76 THR CA C 13 59.108 0.3 . 1 . . . . 73 THR CA . 26901 1 781 . 1 1 76 76 THR CB C 13 71.327 0.3 . 1 . . . . 73 THR CB . 26901 1 782 . 1 1 76 76 THR CG2 C 13 23.261 0.3 . 1 . . . . 73 THR CG2 . 26901 1 783 . 1 1 76 76 THR N N 15 115.357 0.3 . 1 . . . . 73 THR N . 26901 1 784 . 1 1 77 77 VAL H H 1 8.842 0.020 . 1 . . . . 74 VAL H . 26901 1 785 . 1 1 77 77 VAL HA H 1 5.386 0.020 . 1 . . . . 74 VAL HA . 26901 1 786 . 1 1 77 77 VAL HB H 1 1.991 0.020 . 1 . . . . 74 VAL HB . 26901 1 787 . 1 1 77 77 VAL HG11 H 1 0.983 0.020 . 2 . . . . 74 VAL HG1 . 26901 1 788 . 1 1 77 77 VAL HG12 H 1 0.983 0.020 . 2 . . . . 74 VAL HG1 . 26901 1 789 . 1 1 77 77 VAL HG13 H 1 0.983 0.020 . 2 . . . . 74 VAL HG1 . 26901 1 790 . 1 1 77 77 VAL HG21 H 1 0.697 0.020 . 2 . . . . 74 VAL HG2 . 26901 1 791 . 1 1 77 77 VAL HG22 H 1 0.697 0.020 . 2 . . . . 74 VAL HG2 . 26901 1 792 . 1 1 77 77 VAL HG23 H 1 0.697 0.020 . 2 . . . . 74 VAL HG2 . 26901 1 793 . 1 1 77 77 VAL C C 13 171.735 0.3 . 1 . . . . 74 VAL C . 26901 1 794 . 1 1 77 77 VAL CA C 13 57.847 0.3 . 1 . . . . 74 VAL CA . 26901 1 795 . 1 1 77 77 VAL CB C 13 35.550 0.3 . 1 . . . . 74 VAL CB . 26901 1 796 . 1 1 77 77 VAL CG1 C 13 21.550 0.3 . 1 . . . . 74 VAL CG1 . 26901 1 797 . 1 1 77 77 VAL CG2 C 13 20.305 0.3 . 1 . . . . 74 VAL CG2 . 26901 1 798 . 1 1 77 77 VAL N N 15 120.482 0.3 . 1 . . . . 74 VAL N . 26901 1 799 . 1 1 78 78 ASN H H 1 8.268 0.020 . 1 . . . . 75 ASN H . 26901 1 800 . 1 1 78 78 ASN HA H 1 3.508 0.020 . 1 . . . . 75 ASN HA . 26901 1 801 . 1 1 78 78 ASN HB2 H 1 2.190 0.020 . 2 . . . . 75 ASN HB2 . 26901 1 802 . 1 1 78 78 ASN HB3 H 1 0.224 0.020 . 2 . . . . 75 ASN HB3 . 26901 1 803 . 1 1 78 78 ASN C C 13 176.525 0.3 . 1 . . . . 75 ASN C . 26901 1 804 . 1 1 78 78 ASN CA C 13 52.869 0.3 . 1 . . . . 75 ASN CA . 26901 1 805 . 1 1 78 78 ASN CB C 13 37.339 0.3 . 1 . . . . 75 ASN CB . 26901 1 806 . 1 1 78 78 ASN N N 15 130.108 0.3 . 1 . . . . 75 ASN N . 26901 1 807 . 1 1 79 79 LEU H H 1 8.883 0.020 . 1 . . . . 76 LEU H . 26901 1 808 . 1 1 79 79 LEU HA H 1 3.595 0.020 . 1 . . . . 76 LEU HA . 26901 1 809 . 1 1 79 79 LEU HB2 H 1 1.630 0.020 . 2 . . . . 76 LEU HB2 . 26901 1 810 . 1 1 79 79 LEU HB3 H 1 1.257 0.020 . 2 . . . . 76 LEU HB3 . 26901 1 811 . 1 1 79 79 LEU HG H 1 1.530 0.020 . 1 . . . . 76 LEU HG . 26901 1 812 . 1 1 79 79 LEU HD11 H 1 0.784 0.020 . 2 . . . . 76 LEU HD1 . 26901 1 813 . 1 1 79 79 LEU HD12 H 1 0.784 0.020 . 2 . . . . 76 LEU HD1 . 26901 1 814 . 1 1 79 79 LEU HD13 H 1 0.784 0.020 . 2 . . . . 76 LEU HD1 . 26901 1 815 . 1 1 79 79 LEU HD21 H 1 0.598 0.020 . 2 . . . . 76 LEU HD2 . 26901 1 816 . 1 1 79 79 LEU HD22 H 1 0.598 0.020 . 2 . . . . 76 LEU HD2 . 26901 1 817 . 1 1 79 79 LEU HD23 H 1 0.598 0.020 . 2 . . . . 76 LEU HD2 . 26901 1 818 . 1 1 79 79 LEU C C 13 174.997 0.3 . 1 . . . . 76 LEU C . 26901 1 819 . 1 1 79 79 LEU CA C 13 55.623 0.3 . 1 . . . . 76 LEU CA . 26901 1 820 . 1 1 79 79 LEU CB C 13 40.839 0.3 . 1 . . . . 76 LEU CB . 26901 1 821 . 1 1 79 79 LEU CG C 13 26.217 0.3 . 1 . . . . 76 LEU CG . 26901 1 822 . 1 1 79 79 LEU CD1 C 13 23.261 0.3 . 1 . . . . 76 LEU CD1 . 26901 1 823 . 1 1 79 79 LEU CD2 C 13 22.794 0.3 . 1 . . . . 76 LEU CD2 . 26901 1 824 . 1 1 79 79 LEU N N 15 126.795 0.3 . 1 . . . . 76 LEU N . 26901 1 825 . 1 1 80 80 THR H H 1 8.936 0.020 . 1 . . . . 77 THR H . 26901 1 826 . 1 1 80 80 THR HA H 1 4.068 0.020 . 1 . . . . 77 THR HA . 26901 1 827 . 1 1 80 80 THR HB H 1 4.068 0.020 . 1 . . . . 77 THR HB . 26901 1 828 . 1 1 80 80 THR HG21 H 1 1.170 0.020 . 1 . . . . 77 THR HG2 . 26901 1 829 . 1 1 80 80 THR HG22 H 1 1.170 0.020 . 1 . . . . 77 THR HG2 . 26901 1 830 . 1 1 80 80 THR HG23 H 1 1.170 0.020 . 1 . . . . 77 THR HG2 . 26901 1 831 . 1 1 80 80 THR C C 13 174.837 0.3 . 1 . . . . 77 THR C . 26901 1 832 . 1 1 80 80 THR CA C 13 64.881 0.3 . 1 . . . . 77 THR CA . 26901 1 833 . 1 1 80 80 THR CB C 13 69.538 0.3 . 1 . . . . 77 THR CB . 26901 1 834 . 1 1 80 80 THR CG2 C 13 21.550 0.3 . 1 . . . . 77 THR CG2 . 26901 1 835 . 1 1 80 80 THR N N 15 114.794 0.3 . 1 . . . . 77 THR N . 26901 1 836 . 1 1 81 81 THR H H 1 7.754 0.020 . 1 . . . . 78 THR H . 26901 1 837 . 1 1 81 81 THR HA H 1 4.167 0.020 . 1 . . . . 78 THR HA . 26901 1 838 . 1 1 81 81 THR HB H 1 3.981 0.020 . 1 . . . . 78 THR HB . 26901 1 839 . 1 1 81 81 THR HG21 H 1 0.971 0.020 . 1 . . . . 78 THR HG2 . 26901 1 840 . 1 1 81 81 THR HG22 H 1 0.971 0.020 . 1 . . . . 78 THR HG2 . 26901 1 841 . 1 1 81 81 THR HG23 H 1 0.971 0.020 . 1 . . . . 78 THR HG2 . 26901 1 842 . 1 1 81 81 THR C C 13 174.997 0.3 . 1 . . . . 78 THR C . 26901 1 843 . 1 1 81 81 THR CA C 13 61.596 0.3 . 1 . . . . 78 THR CA . 26901 1 844 . 1 1 81 81 THR CB C 13 70.160 0.3 . 1 . . . . 78 THR CB . 26901 1 845 . 1 1 81 81 THR CG2 C 13 20.928 0.3 . 1 . . . . 78 THR CG2 . 26901 1 846 . 1 1 81 81 THR N N 15 109.855 0.3 . 1 . . . . 78 THR N . 26901 1 847 . 1 1 82 82 PHE H H 1 8.093 0.020 . 1 . . . . 79 PHE H . 26901 1 848 . 1 1 82 82 PHE HA H 1 4.068 0.020 . 1 . . . . 79 PHE HA . 26901 1 849 . 1 1 82 82 PHE HB2 H 1 3.222 0.020 . 2 . . . . 79 PHE HB2 . 26901 1 850 . 1 1 82 82 PHE HB3 H 1 3.123 0.020 . 2 . . . . 79 PHE HB3 . 26901 1 851 . 1 1 82 82 PHE C C 13 173.811 0.3 . 1 . . . . 79 PHE C . 26901 1 852 . 1 1 82 82 PHE CA C 13 59.108 0.3 . 1 . . . . 79 PHE CA . 26901 1 853 . 1 1 82 82 PHE CB C 13 35.005 0.3 . 1 . . . . 79 PHE CB . 26901 1 854 . 1 1 82 82 PHE N N 15 117.729 0.3 . 1 . . . . 79 PHE N . 26901 1 855 . 1 1 83 83 ARG H H 1 7.093 0.020 . 1 . . . . 80 ARG H . 26901 1 856 . 1 1 83 83 ARG HA H 1 4.441 0.020 . 1 . . . . 80 ARG HA . 26901 1 857 . 1 1 83 83 ARG HB2 H 1 1.916 0.020 . 2 . . . . 80 ARG HB2 . 26901 1 858 . 1 1 83 83 ARG HB3 H 1 1.443 0.020 . 2 . . . . 80 ARG HB3 . 26901 1 859 . 1 1 83 83 ARG HG2 H 1 1.630 0.020 . 1 . . . . 80 ARG HG2 . 26901 1 860 . 1 1 83 83 ARG HG3 H 1 1.630 0.020 . 1 . . . . 80 ARG HG3 . 26901 1 861 . 1 1 83 83 ARG HD2 H 1 3.210 0.020 . 1 . . . . 80 ARG HD2 . 26901 1 862 . 1 1 83 83 ARG HD3 H 1 3.210 0.020 . 1 . . . . 80 ARG HD3 . 26901 1 863 . 1 1 83 83 ARG C C 13 174.997 0.3 . 1 . . . . 80 ARG C . 26901 1 864 . 1 1 83 83 ARG CA C 13 55.856 0.3 . 1 . . . . 80 ARG CA . 26901 1 865 . 1 1 83 83 ARG CB C 13 31.505 0.3 . 1 . . . . 80 ARG CB . 26901 1 866 . 1 1 83 83 ARG CG C 13 27.383 0.3 . 1 . . . . 80 ARG CG . 26901 1 867 . 1 1 83 83 ARG CD C 13 43.172 0.3 . 1 . . . . 80 ARG CD . 26901 1 868 . 1 1 83 83 ARG N N 15 116.669 0.3 . 1 . . . . 80 ARG N . 26901 1 869 . 1 1 84 84 LEU H H 1 8.907 0.020 . 1 . . . . 81 LEU H . 26901 1 870 . 1 1 84 84 LEU HA H 1 5.386 0.020 . 1 . . . . 81 LEU HA . 26901 1 871 . 1 1 84 84 LEU HB2 H 1 1.817 0.020 . 2 . . . . 81 LEU HB2 . 26901 1 872 . 1 1 84 84 LEU HB3 H 1 1.356 0.020 . 2 . . . . 81 LEU HB3 . 26901 1 873 . 1 1 84 84 LEU HG H 1 1.630 0.020 . 1 . . . . 81 LEU HG . 26901 1 874 . 1 1 84 84 LEU HD11 H 1 0.884 0.020 . 2 . . . . 81 LEU HD1 . 26901 1 875 . 1 1 84 84 LEU HD12 H 1 0.884 0.020 . 2 . . . . 81 LEU HD1 . 26901 1 876 . 1 1 84 84 LEU HD13 H 1 0.884 0.020 . 2 . . . . 81 LEU HD1 . 26901 1 877 . 1 1 84 84 LEU HD21 H 1 0.697 0.020 . 2 . . . . 81 LEU HD2 . 26901 1 878 . 1 1 84 84 LEU HD22 H 1 0.697 0.020 . 2 . . . . 81 LEU HD2 . 26901 1 879 . 1 1 84 84 LEU HD23 H 1 0.697 0.020 . 2 . . . . 81 LEU HD2 . 26901 1 880 . 1 1 84 84 LEU C C 13 176.730 0.3 . 1 . . . . 81 LEU C . 26901 1 881 . 1 1 84 84 LEU CA C 13 55.623 0.3 . 1 . . . . 81 LEU CA . 26901 1 882 . 1 1 84 84 LEU CB C 13 44.961 0.3 . 1 . . . . 81 LEU CB . 26901 1 883 . 1 1 84 84 LEU CG C 13 29.716 0.3 . 1 . . . . 81 LEU CG . 26901 1 884 . 1 1 84 84 LEU CD1 C 13 26.761 0.3 . 1 . . . . 81 LEU CD1 . 26901 1 885 . 1 1 84 84 LEU CD2 C 13 25.050 0.3 . 1 . . . . 81 LEU CD2 . 26901 1 886 . 1 1 84 84 LEU N N 15 124.291 0.3 . 1 . . . . 81 LEU N . 26901 1 887 . 1 1 85 85 TRP H H 1 9.017 0.020 . 1 . . . . 82 TRP H . 26901 1 888 . 1 1 85 85 TRP HA H 1 4.628 0.020 . 1 . . . . 82 TRP HA . 26901 1 889 . 1 1 85 85 TRP HB2 H 1 2.762 0.020 . 2 . . . . 82 TRP HB2 . 26901 1 890 . 1 1 85 85 TRP HB3 H 1 2.575 0.020 . 2 . . . . 82 TRP HB3 . 26901 1 891 . 1 1 85 85 TRP C C 13 172.419 0.3 . 1 . . . . 82 TRP C . 26901 1 892 . 1 1 85 85 TRP CA C 13 56.121 0.3 . 1 . . . . 82 TRP CA . 26901 1 893 . 1 1 85 85 TRP CB C 13 33.216 0.3 . 1 . . . . 82 TRP CB . 26901 1 894 . 1 1 85 85 TRP N N 15 122.418 0.3 . 1 . . . . 82 TRP N . 26901 1 895 . 1 1 86 86 CYS H H 1 6.981 0.020 . 1 . . . . 83 CYS H . 26901 1 896 . 1 1 86 86 CYS HA H 1 5.200 0.020 . 1 . . . . 83 CYS HA . 26901 1 897 . 1 1 86 86 CYS HB2 H 1 2.476 0.020 . 1 . . . . 83 CYS HB2 . 26901 1 898 . 1 1 86 86 CYS HB3 H 1 2.476 0.020 . 1 . . . . 83 CYS HB3 . 26901 1 899 . 1 1 86 86 CYS C C 13 177.232 0.3 . 1 . . . . 83 CYS C . 26901 1 900 . 1 1 86 86 CYS CA C 13 56.121 0.3 . 1 . . . . 83 CYS CA . 26901 1 901 . 1 1 86 86 CYS CB C 13 31.505 0.3 . 1 . . . . 83 CYS CB . 26901 1 902 . 1 1 86 86 CYS N N 15 125.295 0.3 . 1 . . . . 83 CYS N . 26901 1 903 . 1 1 87 87 TYR H H 1 10.010 0.020 . 1 . . . . 84 TYR H . 26901 1 904 . 1 1 87 87 TYR HA H 1 4.068 0.020 . 1 . . . . 84 TYR HA . 26901 1 905 . 1 1 87 87 TYR HB2 H 1 3.123 0.020 . 2 . . . . 84 TYR HB2 . 26901 1 906 . 1 1 87 87 TYR HB3 H 1 2.849 0.020 . 2 . . . . 84 TYR HB3 . 26901 1 907 . 1 1 87 87 TYR C C 13 176.205 0.3 . 1 . . . . 84 TYR C . 26901 1 908 . 1 1 87 87 TYR CA C 13 61.862 0.3 . 1 . . . . 84 TYR CA . 26901 1 909 . 1 1 87 87 TYR CB C 13 39.127 0.3 . 1 . . . . 84 TYR CB . 26901 1 910 . 1 1 87 87 TYR N N 15 125.794 0.3 . 1 . . . . 84 TYR N . 26901 1 911 . 1 1 88 88 ALA H H 1 8.264 0.020 . 1 . . . . 85 ALA H . 26901 1 912 . 1 1 88 88 ALA HA H 1 4.167 0.020 . 1 . . . . 85 ALA HA . 26901 1 913 . 1 1 88 88 ALA HB1 H 1 0.598 0.020 . 1 . . . . 85 ALA HB . 26901 1 914 . 1 1 88 88 ALA HB2 H 1 0.598 0.020 . 1 . . . . 85 ALA HB . 26901 1 915 . 1 1 88 88 ALA HB3 H 1 0.598 0.020 . 1 . . . . 85 ALA HB . 26901 1 916 . 1 1 88 88 ALA C C 13 179.650 0.3 . 1 . . . . 85 ALA C . 26901 1 917 . 1 1 88 88 ALA CA C 13 53.865 0.3 . 1 . . . . 85 ALA CA . 26901 1 918 . 1 1 88 88 ALA CB C 13 17.972 0.3 . 1 . . . . 85 ALA CB . 26901 1 919 . 1 1 88 88 ALA N N 15 124.296 0.3 . 1 . . . . 85 ALA N . 26901 1 920 . 1 1 89 89 CYS H H 1 9.819 0.020 . 1 . . . . 86 CYS H . 26901 1 921 . 1 1 89 89 CYS HA H 1 3.881 0.020 . 1 . . . . 86 CYS HA . 26901 1 922 . 1 1 89 89 CYS HB2 H 1 2.662 0.020 . 2 . . . . 86 CYS HB2 . 26901 1 923 . 1 1 89 89 CYS HB3 H 1 2.376 0.020 . 2 . . . . 86 CYS HB3 . 26901 1 924 . 1 1 89 89 CYS C C 13 174.997 0.3 . 1 . . . . 86 CYS C . 26901 1 925 . 1 1 89 89 CYS CA C 13 62.625 0.3 . 1 . . . . 86 CYS CA . 26901 1 926 . 1 1 89 89 CYS CB C 13 29.716 0.3 . 1 . . . . 86 CYS CB . 26901 1 927 . 1 1 89 89 CYS N N 15 123.356 0.3 . 1 . . . . 86 CYS N . 26901 1 928 . 1 1 90 90 GLU H H 1 7.783 0.020 . 1 . . . . 87 GLU H . 26901 1 929 . 1 1 90 90 GLU HA H 1 3.409 0.020 . 1 . . . . 87 GLU HA . 26901 1 930 . 1 1 90 90 GLU HB2 H 1 2.090 0.020 . 2 . . . . 87 GLU HB2 . 26901 1 931 . 1 1 90 90 GLU HB3 H 1 2.016 0.020 . 2 . . . . 87 GLU HB3 . 26901 1 932 . 1 1 90 90 GLU C C 13 174.312 0.3 . 1 . . . . 87 GLU C . 26901 1 933 . 1 1 90 90 GLU CA C 13 56.387 0.3 . 1 . . . . 87 GLU CA . 26901 1 934 . 1 1 90 90 GLU CB C 13 26.217 0.3 . 1 . . . . 87 GLU CB . 26901 1 935 . 1 1 90 90 GLU CG C 13 36.716 0.3 . 1 . . . . 87 GLU CG . 26901 1 936 . 1 1 90 90 GLU N N 15 116.419 0.3 . 1 . . . . 87 GLU N . 26901 1 937 . 1 1 91 91 LYS H H 1 6.385 0.020 . 1 . . . . 88 LYS H . 26901 1 938 . 1 1 91 91 LYS HA H 1 3.794 0.020 . 1 . . . . 88 LYS HA . 26901 1 939 . 1 1 91 91 LYS HB2 H 1 1.543 0.020 . 2 . . . . 88 LYS HB2 . 26901 1 940 . 1 1 91 91 LYS HB3 H 1 1.356 0.020 . 2 . . . . 88 LYS HB3 . 26901 1 941 . 1 1 91 91 LYS HG2 H 1 0.884 0.020 . 2 . . . . 88 LYS HG2 . 26901 1 942 . 1 1 91 91 LYS HG3 H 1 0.797 0.020 . 2 . . . . 88 LYS HG3 . 26901 1 943 . 1 1 91 91 LYS HE2 H 1 2.849 0.020 . 1 . . . . 88 LYS HE2 . 26901 1 944 . 1 1 91 91 LYS HE3 H 1 2.849 0.020 . 1 . . . . 88 LYS HE3 . 26901 1 945 . 1 1 91 91 LYS C C 13 172.419 0.3 . 1 . . . . 88 LYS C . 26901 1 946 . 1 1 91 91 LYS CA C 13 54.329 0.3 . 1 . . . . 88 LYS CA . 26901 1 947 . 1 1 91 91 LYS CB C 13 35.005 0.3 . 1 . . . . 88 LYS CB . 26901 1 948 . 1 1 91 91 LYS CG C 13 22.094 0.3 . 1 . . . . 88 LYS CG . 26901 1 949 . 1 1 91 91 LYS CD C 13 29.639 0.3 . 1 . . . . 88 LYS CD . 26901 1 950 . 1 1 91 91 LYS CE C 13 42.005 0.3 . 1 . . . . 88 LYS CE . 26901 1 951 . 1 1 91 91 LYS N N 15 113.481 0.3 . 1 . . . . 88 LYS N . 26901 1 952 . 1 1 92 92 GLU H H 1 7.929 0.020 . 1 . . . . 89 GLU H . 26901 1 953 . 1 1 92 92 GLU HA H 1 4.540 0.020 . 1 . . . . 89 GLU HA . 26901 1 954 . 1 1 92 92 GLU HB2 H 1 2.003 0.020 . 2 . . . . 89 GLU HB2 . 26901 1 955 . 1 1 92 92 GLU HB3 H 1 1.729 0.020 . 2 . . . . 89 GLU HB3 . 26901 1 956 . 1 1 92 92 GLU HG2 H 1 2.849 0.020 . 1 . . . . 89 GLU HG2 . 26901 1 957 . 1 1 92 92 GLU HG3 H 1 2.849 0.020 . 1 . . . . 89 GLU HG3 . 26901 1 958 . 1 1 92 92 GLU C C 13 175.863 0.3 . 1 . . . . 89 GLU C . 26901 1 959 . 1 1 92 92 GLU CA C 13 55.623 0.3 . 1 . . . . 89 GLU CA . 26901 1 960 . 1 1 92 92 GLU CB C 13 29.094 0.3 . 1 . . . . 89 GLU CB . 26901 1 961 . 1 1 92 92 GLU CG C 13 35.550 0.3 . 1 . . . . 89 GLU CG . 26901 1 962 . 1 1 92 92 GLU N N 15 120.355 0.3 . 1 . . . . 89 GLU N . 26901 1 963 . 1 1 93 93 VAL H H 1 6.866 0.020 . 1 . . . . 90 VAL H . 26901 1 964 . 1 1 93 93 VAL HA H 1 4.366 0.020 . 1 . . . . 90 VAL HA . 26901 1 965 . 1 1 93 93 VAL HB H 1 2.003 0.020 . 1 . . . . 90 VAL HB . 26901 1 966 . 1 1 93 93 VAL HG11 H 1 0.797 0.020 . 2 . . . . 90 VAL HG1 . 26901 1 967 . 1 1 93 93 VAL HG12 H 1 0.797 0.020 . 2 . . . . 90 VAL HG1 . 26901 1 968 . 1 1 93 93 VAL HG13 H 1 0.797 0.020 . 2 . . . . 90 VAL HG1 . 26901 1 969 . 1 1 93 93 VAL HG21 H 1 0.598 0.020 . 2 . . . . 90 VAL HG2 . 26901 1 970 . 1 1 93 93 VAL HG22 H 1 0.598 0.020 . 2 . . . . 90 VAL HG2 . 26901 1 971 . 1 1 93 93 VAL HG23 H 1 0.598 0.020 . 2 . . . . 90 VAL HG2 . 26901 1 972 . 1 1 93 93 VAL C C 13 172.944 0.3 . 1 . . . . 90 VAL C . 26901 1 973 . 1 1 93 93 VAL CA C 13 59.108 0.3 . 1 . . . . 90 VAL CA . 26901 1 974 . 1 1 93 93 VAL CB C 13 34.383 0.3 . 1 . . . . 90 VAL CB . 26901 1 975 . 1 1 93 93 VAL CG1 C 13 21.550 0.3 . 1 . . . . 90 VAL CG1 . 26901 1 976 . 1 1 93 93 VAL CG2 C 13 19.761 0.3 . 1 . . . . 90 VAL CG2 . 26901 1 977 . 1 1 93 93 VAL N N 15 118.732 0.3 . 1 . . . . 90 VAL N . 26901 1 978 . 1 1 94 94 PHE H H 1 8.153 0.020 . 1 . . . . 91 PHE H . 26901 1 979 . 1 1 94 94 PHE HA H 1 4.839 0.020 . 1 . . . . 91 PHE HA . 26901 1 980 . 1 1 94 94 PHE HB2 H 1 3.222 0.020 . 2 . . . . 91 PHE HB2 . 26901 1 981 . 1 1 94 94 PHE HB3 H 1 2.662 0.020 . 2 . . . . 91 PHE HB3 . 26901 1 982 . 1 1 94 94 PHE C C 13 175.362 0.3 . 1 . . . . 91 PHE C . 26901 1 983 . 1 1 94 94 PHE CA C 13 57.117 0.3 . 1 . . . . 91 PHE CA . 26901 1 984 . 1 1 94 94 PHE CB C 13 41.461 0.3 . 1 . . . . 91 PHE CB . 26901 1 985 . 1 1 94 94 PHE N N 15 117.606 0.3 . 1 . . . . 91 PHE N . 26901 1 986 . 1 1 95 95 LEU H H 1 8.836 0.020 . 1 . . . . 92 LEU H . 26901 1 987 . 1 1 95 95 LEU HA H 1 4.254 0.020 . 1 . . . . 92 LEU HA . 26901 1 988 . 1 1 95 95 LEU HB2 H 1 1.630 0.020 . 1 . . . . 92 LEU HB2 . 26901 1 989 . 1 1 95 95 LEU HB3 H 1 1.630 0.020 . 1 . . . . 92 LEU HB3 . 26901 1 990 . 1 1 95 95 LEU HD11 H 1 0.884 0.020 . 1 . . . . 92 LEU HD1 . 26901 1 991 . 1 1 95 95 LEU HD12 H 1 0.884 0.020 . 1 . . . . 92 LEU HD1 . 26901 1 992 . 1 1 95 95 LEU HD13 H 1 0.884 0.020 . 1 . . . . 92 LEU HD1 . 26901 1 993 . 1 1 95 95 LEU HD21 H 1 0.884 0.020 . 1 . . . . 92 LEU HD2 . 26901 1 994 . 1 1 95 95 LEU HD22 H 1 0.884 0.020 . 1 . . . . 92 LEU HD2 . 26901 1 995 . 1 1 95 95 LEU HD23 H 1 0.884 0.020 . 1 . . . . 92 LEU HD2 . 26901 1 996 . 1 1 95 95 LEU C C 13 177.939 0.3 . 1 . . . . 92 LEU C . 26901 1 997 . 1 1 95 95 LEU CA C 13 55.358 0.3 . 1 . . . . 92 LEU CA . 26901 1 998 . 1 1 95 95 LEU CB C 13 42.005 0.3 . 1 . . . . 92 LEU CB . 26901 1 999 . 1 1 95 95 LEU CG C 13 26.683 0.3 . 1 . . . . 92 LEU CG . 26901 1 1000 . 1 1 95 95 LEU CD1 C 13 25.050 0.3 . 1 . . . . 92 LEU CD1 . 26901 1 1001 . 1 1 95 95 LEU CD2 C 13 23.261 0.3 . 1 . . . . 92 LEU CD2 . 26901 1 1002 . 1 1 95 95 LEU N N 15 122.856 0.3 . 1 . . . . 92 LEU N . 26901 1 1003 . 1 1 96 96 GLU H H 1 8.894 0.020 . 1 . . . . 93 GLU H . 26901 1 1004 . 1 1 96 96 GLU HA H 1 4.068 0.020 . 1 . . . . 93 GLU HA . 26901 1 1005 . 1 1 96 96 GLU HB2 H 1 2.003 0.020 . 1 . . . . 93 GLU HB2 . 26901 1 1006 . 1 1 96 96 GLU HB3 H 1 2.003 0.020 . 1 . . . . 93 GLU HB3 . 26901 1 1007 . 1 1 96 96 GLU HG2 H 1 2.289 0.020 . 1 . . . . 93 GLU HG2 . 26901 1 1008 . 1 1 96 96 GLU HG3 H 1 2.289 0.020 . 1 . . . . 93 GLU HG3 . 26901 1 1009 . 1 1 96 96 GLU C C 13 176.890 0.3 . 1 . . . . 93 GLU C . 26901 1 1010 . 1 1 96 96 GLU CA C 13 57.847 0.3 . 1 . . . . 93 GLU CA . 26901 1 1011 . 1 1 96 96 GLU CB C 13 29.094 0.3 . 1 . . . . 93 GLU CB . 26901 1 1012 . 1 1 96 96 GLU CG C 13 36.172 0.3 . 1 . . . . 93 GLU CG . 26901 1 1013 . 1 1 96 96 GLU N N 15 119.794 0.3 . 1 . . . . 93 GLU N . 26901 1 1014 . 1 1 97 97 GLN H H 1 8.070 0.020 . 1 . . . . 94 GLN H . 26901 1 1015 . 1 1 97 97 GLN HA H 1 4.254 0.020 . 1 . . . . 94 GLN HA . 26901 1 1016 . 1 1 97 97 GLN HB2 H 1 2.103 0.020 . 1 . . . . 94 GLN HB2 . 26901 1 1017 . 1 1 97 97 GLN HB3 H 1 2.103 0.020 . 1 . . . . 94 GLN HB3 . 26901 1 1018 . 1 1 97 97 GLN HG2 H 1 2.364 0.020 . 2 . . . . 94 GLN HG2 . 26901 1 1019 . 1 1 97 97 GLN HG3 H 1 2.289 0.020 . 2 . . . . 94 GLN HG3 . 26901 1 1020 . 1 1 97 97 GLN C C 13 175.704 0.3 . 1 . . . . 94 GLN C . 26901 1 1021 . 1 1 97 97 GLN CA C 13 56.121 0.3 . 1 . . . . 94 GLN CA . 26901 1 1022 . 1 1 97 97 GLN CB C 13 28.550 0.3 . 1 . . . . 94 GLN CB . 26901 1 1023 . 1 1 97 97 GLN CG C 13 33.216 0.3 . 1 . . . . 94 GLN CG . 26901 1 1024 . 1 1 97 97 GLN N N 15 119.106 0.3 . 1 . . . . 94 GLN N . 26901 1 1025 . 1 1 98 98 ARG H H 1 8.186 0.020 . 1 . . . . 95 ARG H . 26901 1 1026 . 1 1 98 98 ARG HA H 1 4.254 0.020 . 1 . . . . 95 ARG HA . 26901 1 1027 . 1 1 98 98 ARG HB2 H 1 1.817 0.020 . 2 . . . . 95 ARG HB2 . 26901 1 1028 . 1 1 98 98 ARG HB3 H 1 1.729 0.020 . 2 . . . . 95 ARG HB3 . 26901 1 1029 . 1 1 98 98 ARG HG2 H 1 1.630 0.020 . 1 . . . . 95 ARG HG2 . 26901 1 1030 . 1 1 98 98 ARG HG3 H 1 1.630 0.020 . 1 . . . . 95 ARG HG3 . 26901 1 1031 . 1 1 98 98 ARG HD2 H 1 3.135 0.020 . 1 . . . . 95 ARG HD2 . 26901 1 1032 . 1 1 98 98 ARG HD3 H 1 3.135 0.020 . 1 . . . . 95 ARG HD3 . 26901 1 1033 . 1 1 98 98 ARG C C 13 176.046 0.3 . 1 . . . . 95 ARG C . 26901 1 1034 . 1 1 98 98 ARG CA C 13 56.353 0.3 . 1 . . . . 95 ARG CA . 26901 1 1035 . 1 1 98 98 ARG CB C 13 30.339 0.3 . 1 . . . . 95 ARG CB . 26901 1 1036 . 1 1 98 98 ARG CG C 13 26.761 0.3 . 1 . . . . 95 ARG CG . 26901 1 1037 . 1 1 98 98 ARG CD C 13 43.172 0.3 . 1 . . . . 95 ARG CD . 26901 1 1038 . 1 1 98 98 ARG N N 15 120.982 0.3 . 1 . . . . 95 ARG N . 26901 1 1039 . 1 1 99 99 LEU H H 1 8.193 0.020 . 1 . . . . 96 LEU H . 26901 1 1040 . 1 1 99 99 LEU HA H 1 4.254 0.020 . 1 . . . . 96 LEU HA . 26901 1 1041 . 1 1 99 99 LEU HB2 H 1 1.630 0.020 . 2 . . . . 96 LEU HB2 . 26901 1 1042 . 1 1 99 99 LEU HB3 H 1 1.443 0.020 . 2 . . . . 96 LEU HB3 . 26901 1 1043 . 1 1 99 99 LEU HD11 H 1 0.784 0.020 . 1 . . . . 96 LEU HD1 . 26901 1 1044 . 1 1 99 99 LEU HD12 H 1 0.784 0.020 . 1 . . . . 96 LEU HD1 . 26901 1 1045 . 1 1 99 99 LEU HD13 H 1 0.784 0.020 . 1 . . . . 96 LEU HD1 . 26901 1 1046 . 1 1 99 99 LEU HD21 H 1 0.784 0.020 . 1 . . . . 96 LEU HD2 . 26901 1 1047 . 1 1 99 99 LEU HD22 H 1 0.784 0.020 . 1 . . . . 96 LEU HD2 . 26901 1 1048 . 1 1 99 99 LEU HD23 H 1 0.784 0.020 . 1 . . . . 96 LEU HD2 . 26901 1 1049 . 1 1 99 99 LEU C C 13 176.388 0.3 . 1 . . . . 96 LEU C . 26901 1 1050 . 1 1 99 99 LEU CA C 13 54.860 0.3 . 1 . . . . 96 LEU CA . 26901 1 1051 . 1 1 99 99 LEU CB C 13 42.005 0.3 . 1 . . . . 96 LEU CB . 26901 1 1052 . 1 1 99 99 LEU CG C 13 26.761 0.3 . 1 . . . . 96 LEU CG . 26901 1 1053 . 1 1 99 99 LEU CD1 C 13 24.428 0.3 . 1 . . . . 96 LEU CD1 . 26901 1 1054 . 1 1 99 99 LEU CD2 C 13 23.261 0.3 . 1 . . . . 96 LEU CD2 . 26901 1 1055 . 1 1 99 99 LEU N N 15 123.107 0.3 . 1 . . . . 96 LEU N . 26901 1 1056 . 1 1 100 100 ALA H H 1 8.081 0.020 . 1 . . . . 97 ALA H . 26901 1 1057 . 1 1 100 100 ALA HA H 1 4.254 0.020 . 1 . . . . 97 ALA HA . 26901 1 1058 . 1 1 100 100 ALA HB1 H 1 1.257 0.020 . 1 . . . . 97 ALA HB . 26901 1 1059 . 1 1 100 100 ALA HB2 H 1 1.257 0.020 . 1 . . . . 97 ALA HB . 26901 1 1060 . 1 1 100 100 ALA HB3 H 1 1.257 0.020 . 1 . . . . 97 ALA HB . 26901 1 1061 . 1 1 100 100 ALA C C 13 176.388 0.3 . 1 . . . . 97 ALA C . 26901 1 1062 . 1 1 100 100 ALA CA C 13 51.874 0.3 . 1 . . . . 97 ALA CA . 26901 1 1063 . 1 1 100 100 ALA CB C 13 19.139 0.3 . 1 . . . . 97 ALA CB . 26901 1 1064 . 1 1 100 100 ALA N N 15 124.232 0.3 . 1 . . . . 97 ALA N . 26901 1 1065 . 1 1 101 101 ALA H H 1 8.134 0.020 . 1 . . . . 98 ALA H . 26901 1 1066 . 1 1 101 101 ALA HA H 1 4.443 0.020 . 1 . . . . 98 ALA HA . 26901 1 1067 . 1 1 101 101 ALA HB1 H 1 1.313 0.020 . 1 . . . . 98 ALA HB . 26901 1 1068 . 1 1 101 101 ALA HB2 H 1 1.313 0.020 . 1 . . . . 98 ALA HB . 26901 1 1069 . 1 1 101 101 ALA HB3 H 1 1.313 0.020 . 1 . . . . 98 ALA HB . 26901 1 1070 . 1 1 101 101 ALA C C 13 174.495 0.3 . 1 . . . . 98 ALA C . 26901 1 1071 . 1 1 101 101 ALA CA C 13 50.115 0.3 . 1 . . . . 98 ALA CA . 26901 1 1072 . 1 1 101 101 ALA CB C 13 17.972 0.3 . 1 . . . . 98 ALA CB . 26901 1 1073 . 1 1 101 101 ALA N N 15 125.108 0.3 . 1 . . . . 98 ALA N . 26901 1 stop_ save_