data_26509 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26509 _Entry.Title ; Backbone resonance assignments and secondary structure determination for the human PHF6-ePHD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-14 _Entry.Accession_date 2015-02-14 _Entry.Last_release_date 2015-04-10 _Entry.Original_release_date 2015-04-10 _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 Yun Bao . . . . 26509 2 Zhonghua Liu . . . . 26509 3 Jiahai Zhang . . . . 26509 4 Jihui Wu . . . . 26509 5 Yunyu Shi . . . . 26509 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26509 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 464 26509 '15N chemical shifts' 127 26509 '1H chemical shifts' 726 26509 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 . . 2016-07-13 2015-02-14 update BMRB 'update entry citation' 26509 1 . . 2015-04-10 2015-02-14 original author 'original release' 26509 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 26509 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26286319 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments and secondary structure of the human PHF6-ePHD1 domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _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 1 _Citation.Page_last 4 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yun Bao . . . . 26509 1 2 Zhonghua Liu . . . . 26509 1 3 Jiahai Zhang . . . . 26509 1 4 Jihui Wu . . . . 26509 1 5 Yunyu Shi . . . . 26509 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26509 _Assembly.ID 1 _Assembly.Name PHF6-ePHD1 _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 PHF6-ePHD1 1 $PHF6-ePHD1 A . yes native no no . . . 26509 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PHF6-ePHD1 _Entity.Sf_category entity _Entity.Sf_framecode PHF6-ePHD1 _Entity.Entry_ID 26509 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PHF6-ePHD1 _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 ; TRQRKCGFCKSNRDKECGQL LISENQKVAAHHKCMLFSSA LVSSHSDNESLGGFSIEDVQ KEIKRGTKLMCSLCHCPGAT IGCDVKTCHRTYHYHCALHD KAQIREKPSQGIYMVYCRKH KKTAHNS ; _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 127 _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 . THR . 26509 1 2 . ARG . 26509 1 3 . GLN . 26509 1 4 . ARG . 26509 1 5 . LYS . 26509 1 6 . CYS . 26509 1 7 . GLY . 26509 1 8 . PHE . 26509 1 9 . CYS . 26509 1 10 . LYS . 26509 1 11 . SER . 26509 1 12 . ASN . 26509 1 13 . ARG . 26509 1 14 . ASP . 26509 1 15 . LYS . 26509 1 16 . GLU . 26509 1 17 . CYS . 26509 1 18 . GLY . 26509 1 19 . GLN . 26509 1 20 . LEU . 26509 1 21 . LEU . 26509 1 22 . ILE . 26509 1 23 . SER . 26509 1 24 . GLU . 26509 1 25 . ASN . 26509 1 26 . GLN . 26509 1 27 . LYS . 26509 1 28 . VAL . 26509 1 29 . ALA . 26509 1 30 . ALA . 26509 1 31 . HIS . 26509 1 32 . HIS . 26509 1 33 . LYS . 26509 1 34 . CYS . 26509 1 35 . MET . 26509 1 36 . LEU . 26509 1 37 . PHE . 26509 1 38 . SER . 26509 1 39 . SER . 26509 1 40 . ALA . 26509 1 41 . LEU . 26509 1 42 . VAL . 26509 1 43 . SER . 26509 1 44 . SER . 26509 1 45 . HIS . 26509 1 46 . SER . 26509 1 47 . ASP . 26509 1 48 . ASN . 26509 1 49 . GLU . 26509 1 50 . SER . 26509 1 51 . LEU . 26509 1 52 . GLY . 26509 1 53 . GLY . 26509 1 54 . PHE . 26509 1 55 . SER . 26509 1 56 . ILE . 26509 1 57 . GLU . 26509 1 58 . ASP . 26509 1 59 . VAL . 26509 1 60 . GLN . 26509 1 61 . LYS . 26509 1 62 . GLU . 26509 1 63 . ILE . 26509 1 64 . LYS . 26509 1 65 . ARG . 26509 1 66 . GLY . 26509 1 67 . THR . 26509 1 68 . LYS . 26509 1 69 . LEU . 26509 1 70 . MET . 26509 1 71 . CYS . 26509 1 72 . SER . 26509 1 73 . LEU . 26509 1 74 . CYS . 26509 1 75 . HIS . 26509 1 76 . CYS . 26509 1 77 . PRO . 26509 1 78 . GLY . 26509 1 79 . ALA . 26509 1 80 . THR . 26509 1 81 . ILE . 26509 1 82 . GLY . 26509 1 83 . CYS . 26509 1 84 . ASP . 26509 1 85 . VAL . 26509 1 86 . LYS . 26509 1 87 . THR . 26509 1 88 . CYS . 26509 1 89 . HIS . 26509 1 90 . ARG . 26509 1 91 . THR . 26509 1 92 . TYR . 26509 1 93 . HIS . 26509 1 94 . TYR . 26509 1 95 . HIS . 26509 1 96 . CYS . 26509 1 97 . ALA . 26509 1 98 . LEU . 26509 1 99 . HIS . 26509 1 100 . ASP . 26509 1 101 . LYS . 26509 1 102 . ALA . 26509 1 103 . GLN . 26509 1 104 . ILE . 26509 1 105 . ARG . 26509 1 106 . GLU . 26509 1 107 . LYS . 26509 1 108 . PRO . 26509 1 109 . SER . 26509 1 110 . GLN . 26509 1 111 . GLY . 26509 1 112 . ILE . 26509 1 113 . TYR . 26509 1 114 . MET . 26509 1 115 . VAL . 26509 1 116 . TYR . 26509 1 117 . CYS . 26509 1 118 . ARG . 26509 1 119 . LYS . 26509 1 120 . HIS . 26509 1 121 . LYS . 26509 1 122 . LYS . 26509 1 123 . THR . 26509 1 124 . ALA . 26509 1 125 . HIS . 26509 1 126 . ASN . 26509 1 127 . SER . 26509 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 . THR 1 1 26509 1 . ARG 2 2 26509 1 . GLN 3 3 26509 1 . ARG 4 4 26509 1 . LYS 5 5 26509 1 . CYS 6 6 26509 1 . GLY 7 7 26509 1 . PHE 8 8 26509 1 . CYS 9 9 26509 1 . LYS 10 10 26509 1 . SER 11 11 26509 1 . ASN 12 12 26509 1 . ARG 13 13 26509 1 . ASP 14 14 26509 1 . LYS 15 15 26509 1 . GLU 16 16 26509 1 . CYS 17 17 26509 1 . GLY 18 18 26509 1 . GLN 19 19 26509 1 . LEU 20 20 26509 1 . LEU 21 21 26509 1 . ILE 22 22 26509 1 . SER 23 23 26509 1 . GLU 24 24 26509 1 . ASN 25 25 26509 1 . GLN 26 26 26509 1 . LYS 27 27 26509 1 . VAL 28 28 26509 1 . ALA 29 29 26509 1 . ALA 30 30 26509 1 . HIS 31 31 26509 1 . HIS 32 32 26509 1 . LYS 33 33 26509 1 . CYS 34 34 26509 1 . MET 35 35 26509 1 . LEU 36 36 26509 1 . PHE 37 37 26509 1 . SER 38 38 26509 1 . SER 39 39 26509 1 . ALA 40 40 26509 1 . LEU 41 41 26509 1 . VAL 42 42 26509 1 . SER 43 43 26509 1 . SER 44 44 26509 1 . HIS 45 45 26509 1 . SER 46 46 26509 1 . ASP 47 47 26509 1 . ASN 48 48 26509 1 . GLU 49 49 26509 1 . SER 50 50 26509 1 . LEU 51 51 26509 1 . GLY 52 52 26509 1 . GLY 53 53 26509 1 . PHE 54 54 26509 1 . SER 55 55 26509 1 . ILE 56 56 26509 1 . GLU 57 57 26509 1 . ASP 58 58 26509 1 . VAL 59 59 26509 1 . GLN 60 60 26509 1 . LYS 61 61 26509 1 . GLU 62 62 26509 1 . ILE 63 63 26509 1 . LYS 64 64 26509 1 . ARG 65 65 26509 1 . GLY 66 66 26509 1 . THR 67 67 26509 1 . LYS 68 68 26509 1 . LEU 69 69 26509 1 . MET 70 70 26509 1 . CYS 71 71 26509 1 . SER 72 72 26509 1 . LEU 73 73 26509 1 . CYS 74 74 26509 1 . HIS 75 75 26509 1 . CYS 76 76 26509 1 . PRO 77 77 26509 1 . GLY 78 78 26509 1 . ALA 79 79 26509 1 . THR 80 80 26509 1 . ILE 81 81 26509 1 . GLY 82 82 26509 1 . CYS 83 83 26509 1 . ASP 84 84 26509 1 . VAL 85 85 26509 1 . LYS 86 86 26509 1 . THR 87 87 26509 1 . CYS 88 88 26509 1 . HIS 89 89 26509 1 . ARG 90 90 26509 1 . THR 91 91 26509 1 . TYR 92 92 26509 1 . HIS 93 93 26509 1 . TYR 94 94 26509 1 . HIS 95 95 26509 1 . CYS 96 96 26509 1 . ALA 97 97 26509 1 . LEU 98 98 26509 1 . HIS 99 99 26509 1 . ASP 100 100 26509 1 . LYS 101 101 26509 1 . ALA 102 102 26509 1 . GLN 103 103 26509 1 . ILE 104 104 26509 1 . ARG 105 105 26509 1 . GLU 106 106 26509 1 . LYS 107 107 26509 1 . PRO 108 108 26509 1 . SER 109 109 26509 1 . GLN 110 110 26509 1 . GLY 111 111 26509 1 . ILE 112 112 26509 1 . TYR 113 113 26509 1 . MET 114 114 26509 1 . VAL 115 115 26509 1 . TYR 116 116 26509 1 . CYS 117 117 26509 1 . ARG 118 118 26509 1 . LYS 119 119 26509 1 . HIS 120 120 26509 1 . LYS 121 121 26509 1 . LYS 122 122 26509 1 . THR 123 123 26509 1 . ALA 124 124 26509 1 . HIS 125 125 26509 1 . ASN 126 126 26509 1 . SER 127 127 26509 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 26509 _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 $PHF6-ePHD1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26509 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 26509 _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 $PHF6-ePHD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-4T-1 . . . 26509 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26509 _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 PHF6-ePHD1 '[U-13C; U-15N]' . . 1 $PHF6-ePHD1 . . 0.6 . . mM . . . . 26509 1 2 'phosphate sodium' 'natural abundance' . . . . . . 20 . . mM . . . . 26509 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26509 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26509 _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 26509 1 pH 6.5 . pH 26509 1 pressure 1 . atm 26509 1 temperature 289 . K 26509 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26509 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 26509 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26509 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 26509 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 26509 _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 DMX . 600 . . . 26509 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 26509 _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 . . . . . . . . . . . . . . . . 26509 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26509 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26509 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26509 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26509 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26509 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26509 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26509 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26509 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26509 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 26509 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26509 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26509 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26509 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 26509 _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' . . . 26509 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 1 1 THR H H 1 8.243 0.006 19 1 . . . . 1 THR HN . 26509 1 2 . 1 1 1 1 THR HA H 1 4.263 0.01 9 1 . . . . 1 THR HA . 26509 1 3 . 1 1 1 1 THR HB H 1 4.162 0.012 10 1 . . . . 1 THR HB . 26509 1 4 . 1 1 1 1 THR HG21 H 1 1.161 0.007 8 1 . . . . 1 THR HG2# . 26509 1 5 . 1 1 1 1 THR HG22 H 1 1.161 0.007 8 1 . . . . 1 THR HG2# . 26509 1 6 . 1 1 1 1 THR HG23 H 1 1.161 0.007 8 1 . . . . 1 THR HG2# . 26509 1 7 . 1 1 1 1 THR C C 13 174.297 0.009 3 1 . . . . 1 THR C . 26509 1 8 . 1 1 1 1 THR CA C 13 62.138 0.146 11 1 . . . . 1 THR CA . 26509 1 9 . 1 1 1 1 THR CB C 13 69.677 0.056 9 1 . . . . 1 THR CB . 26509 1 10 . 1 1 1 1 THR CG2 C 13 21.774 0.198 4 1 . . . . 1 THR CG2 . 26509 1 11 . 1 1 1 1 THR N N 15 116.169 0.03 18 1 . . . . 1 THR N . 26509 1 12 . 1 1 2 2 ARG H H 1 8.36 0.009 31 1 . . . . 2 ARG HN . 26509 1 13 . 1 1 2 2 ARG HA H 1 4.296 0.011 12 1 . . . . 2 ARG HA . 26509 1 14 . 1 1 2 2 ARG HB2 H 1 1.8 0.011 4 1 . . . . 2 ARG HB2 . 26509 1 15 . 1 1 2 2 ARG HB3 H 1 1.724 0.005 5 1 . . . . 2 ARG HB3 . 26509 1 16 . 1 1 2 2 ARG HG2 H 1 1.577 0.01 10 1 . . . . 2 ARG HG# . 26509 1 17 . 1 1 2 2 ARG HG3 H 1 1.577 0.01 10 1 . . . . 2 ARG HG# . 26509 1 18 . 1 1 2 2 ARG HD2 H 1 3.145 0.01 12 1 . . . . 2 ARG HD# . 26509 1 19 . 1 1 2 2 ARG HD3 H 1 3.145 0.01 12 1 . . . . 2 ARG HD# . 26509 1 20 . 1 1 2 2 ARG C C 13 175.832 0.002 2 1 . . . . 2 ARG C . 26509 1 21 . 1 1 2 2 ARG CA C 13 56.032 0.136 14 1 . . . . 2 ARG CA . 26509 1 22 . 1 1 2 2 ARG CB C 13 30.399 0.351 10 1 . . . . 2 ARG CB . 26509 1 23 . 1 1 2 2 ARG CG C 13 27.885 0.132 4 1 . . . . 2 ARG CG . 26509 1 24 . 1 1 2 2 ARG CD C 13 43.245 0.023 7 1 . . . . 2 ARG CD . 26509 1 25 . 1 1 2 2 ARG N N 15 123.566 0.057 30 1 . . . . 2 ARG N . 26509 1 26 . 1 1 3 3 GLN H H 1 8.413 0.013 33 1 . . . . 3 GLN HN . 26509 1 27 . 1 1 3 3 GLN HA H 1 4.236 0.009 11 1 . . . . 3 GLN HA . 26509 1 28 . 1 1 3 3 GLN HB2 H 1 1.986 0.004 6 1 . . . . 3 GLN HB2 . 26509 1 29 . 1 1 3 3 GLN HB3 H 1 1.88 0.017 6 1 . . . . 3 GLN HB3 . 26509 1 30 . 1 1 3 3 GLN HG2 H 1 2.303 0.013 13 1 . . . . 3 GLN HG# . 26509 1 31 . 1 1 3 3 GLN HG3 H 1 2.303 0.013 13 1 . . . . 3 GLN HG# . 26509 1 32 . 1 1 3 3 GLN HE21 H 1 7.544 0.007 12 1 . . . . 3 GLN HE21 . 26509 1 33 . 1 1 3 3 GLN HE22 H 1 6.897 0.014 12 1 . . . . 3 GLN HE22 . 26509 1 34 . 1 1 3 3 GLN C C 13 175.584 0.012 3 1 . . . . 3 GLN C . 26509 1 35 . 1 1 3 3 GLN CA C 13 55.676 0.091 12 1 . . . . 3 GLN CA . 26509 1 36 . 1 1 3 3 GLN CB C 13 29.616 0.245 7 1 . . . . 3 GLN CB . 26509 1 37 . 1 1 3 3 GLN CG C 13 33.761 0.068 9 1 . . . . 3 GLN CG . 26509 1 38 . 1 1 3 3 GLN N N 15 121.825 0.093 32 1 . . . . 3 GLN N . 26509 1 39 . 1 1 3 3 GLN NE2 N 15 112.677 0.33 19 1 . . . . 3 GLN NE2 . 26509 1 40 . 1 1 4 4 ARG H H 1 8.27 0.011 28 1 . . . . 4 ARG HN . 26509 1 41 . 1 1 4 4 ARG HA H 1 4.61 0 1 1 . . . . 4 ARG HA . 26509 1 42 . 1 1 4 4 ARG HB2 H 1 1.933 0.008 2 1 . . . . 4 ARG HB2 . 26509 1 43 . 1 1 4 4 ARG HB3 H 1 1.756 0 1 1 . . . . 4 ARG HB3 . 26509 1 44 . 1 1 4 4 ARG C C 13 174.347 0 1 1 . . . . 4 ARG C . 26509 1 45 . 1 1 4 4 ARG CA C 13 56.252 0.045 2 1 . . . . 4 ARG CA . 26509 1 46 . 1 1 4 4 ARG CB C 13 30.073 0.005 2 1 . . . . 4 ARG CB . 26509 1 47 . 1 1 4 4 ARG N N 15 123.18 0.073 27 1 . . . . 4 ARG N . 26509 1 48 . 1 1 5 5 LYS H H 1 8.419 0.016 9 1 . . . . 5 LYS HN . 26509 1 49 . 1 1 5 5 LYS N N 15 122.95 0.086 8 1 . . . . 5 LYS N . 26509 1 50 . 1 1 6 6 CYS HA H 1 3.714 0.016 6 1 . . . . 6 CYS HA . 26509 1 51 . 1 1 6 6 CYS HB2 H 1 2.027 0.011 7 1 . . . . 6 CYS HB# . 26509 1 52 . 1 1 6 6 CYS HB3 H 1 2.027 0.011 7 1 . . . . 6 CYS HB# . 26509 1 53 . 1 1 6 6 CYS C C 13 177.998 0 1 1 . . . . 6 CYS C . 26509 1 54 . 1 1 6 6 CYS CA C 13 58.979 0.109 7 1 . . . . 6 CYS CA . 26509 1 55 . 1 1 6 6 CYS CB C 13 31.358 0.138 6 1 . . . . 6 CYS CB . 26509 1 56 . 1 1 7 7 GLY H H 1 9.177 0.007 23 1 . . . . 7 GLY HN . 26509 1 57 . 1 1 7 7 GLY HA2 H 1 3.963 0.008 8 1 . . . . 7 GLY HA2 . 26509 1 58 . 1 1 7 7 GLY HA3 H 1 3.463 0.013 8 1 . . . . 7 GLY HA3 . 26509 1 59 . 1 1 7 7 GLY C C 13 173.064 0.015 2 1 . . . . 7 GLY C . 26509 1 60 . 1 1 7 7 GLY CA C 13 46.728 0.131 12 1 . . . . 7 GLY CA . 26509 1 61 . 1 1 7 7 GLY N N 15 115.191 0.071 22 1 . . . . 7 GLY N . 26509 1 62 . 1 1 8 8 PHE H H 1 9.16 0.01 24 1 . . . . 8 PHE HN . 26509 1 63 . 1 1 8 8 PHE HA H 1 4.819 0.013 6 1 . . . . 8 PHE HA . 26509 1 64 . 1 1 8 8 PHE HB2 H 1 3.927 0.004 4 1 . . . . 8 PHE HB2 . 26509 1 65 . 1 1 8 8 PHE HB3 H 1 3.189 0.003 5 1 . . . . 8 PHE HB3 . 26509 1 66 . 1 1 8 8 PHE C C 13 175.851 0.004 2 1 . . . . 8 PHE C . 26509 1 67 . 1 1 8 8 PHE CA C 13 60.841 0.099 11 1 . . . . 8 PHE CA . 26509 1 68 . 1 1 8 8 PHE CB C 13 40.388 0.123 6 1 . . . . 8 PHE CB . 26509 1 69 . 1 1 8 8 PHE N N 15 120.59 0.115 22 1 . . . . 8 PHE N . 26509 1 70 . 1 1 9 9 CYS H H 1 8.313 0.011 21 1 . . . . 9 CYS HN . 26509 1 71 . 1 1 9 9 CYS HA H 1 4.597 0.012 4 1 . . . . 9 CYS HA . 26509 1 72 . 1 1 9 9 CYS HB2 H 1 3.188 0.004 5 1 . . . . 9 CYS HB# . 26509 1 73 . 1 1 9 9 CYS HB3 H 1 3.188 0.004 5 1 . . . . 9 CYS HB# . 26509 1 74 . 1 1 9 9 CYS C C 13 176.022 0.003 3 1 . . . . 9 CYS C . 26509 1 75 . 1 1 9 9 CYS CA C 13 59.217 0.074 8 1 . . . . 9 CYS CA . 26509 1 76 . 1 1 9 9 CYS CB C 13 31.81 0.082 4 1 . . . . 9 CYS CB . 26509 1 77 . 1 1 9 9 CYS N N 15 116.59 0.088 19 1 . . . . 9 CYS N . 26509 1 78 . 1 1 10 10 LYS H H 1 8.169 0.011 21 1 . . . . 10 LYS HN . 26509 1 79 . 1 1 10 10 LYS HA H 1 4.042 0 2 1 . . . . 10 LYS HA . 26509 1 80 . 1 1 10 10 LYS HB2 H 1 1.999 0.01 2 1 . . . . 10 LYS HB# . 26509 1 81 . 1 1 10 10 LYS HB3 H 1 1.999 0.01 2 1 . . . . 10 LYS HB# . 26509 1 82 . 1 1 10 10 LYS C C 13 174.894 0.405 2 1 . . . . 10 LYS C . 26509 1 83 . 1 1 10 10 LYS CA C 13 57.189 0.134 4 1 . . . . 10 LYS CA . 26509 1 84 . 1 1 10 10 LYS CB C 13 30.002 0 1 1 . . . . 10 LYS CB . 26509 1 85 . 1 1 10 10 LYS N N 15 119.219 0.118 20 1 . . . . 10 LYS N . 26509 1 86 . 1 1 12 12 ASN HA H 1 5.12 0.021 10 1 . . . . 12 ASN HA . 26509 1 87 . 1 1 12 12 ASN HB2 H 1 2.915 0.005 3 1 . . . . 12 ASN HB2 . 26509 1 88 . 1 1 12 12 ASN HB3 H 1 2.88 0.004 3 1 . . . . 12 ASN HB3 . 26509 1 89 . 1 1 12 12 ASN HD21 H 1 7.753 0.012 5 1 . . . . 12 ASN HD21 . 26509 1 90 . 1 1 12 12 ASN HD22 H 1 6.94 0.007 3 1 . . . . 12 ASN HD22 . 26509 1 91 . 1 1 12 12 ASN C C 13 175.692 0 1 1 . . . . 12 ASN C . 26509 1 92 . 1 1 12 12 ASN CA C 13 52.658 0.086 6 1 . . . . 12 ASN CA . 26509 1 93 . 1 1 12 12 ASN CB C 13 38.292 0.004 2 1 . . . . 12 ASN CB . 26509 1 94 . 1 1 12 12 ASN ND2 N 15 112.065 0.088 8 1 . . . . 12 ASN ND2 . 26509 1 95 . 1 1 13 13 ARG H H 1 7.998 0.012 12 1 . . . . 13 ARG HN . 26509 1 96 . 1 1 13 13 ARG HA H 1 4.491 0.011 11 1 . . . . 13 ARG HA . 26509 1 97 . 1 1 13 13 ARG HB2 H 1 1.953 0.008 6 1 . . . . 13 ARG HB2 . 26509 1 98 . 1 1 13 13 ARG HB3 H 1 1.535 0.003 5 1 . . . . 13 ARG HB3 . 26509 1 99 . 1 1 13 13 ARG HG2 H 1 1.417 0.013 8 1 . . . . 13 ARG HG# . 26509 1 100 . 1 1 13 13 ARG HG3 H 1 1.417 0.013 8 1 . . . . 13 ARG HG# . 26509 1 101 . 1 1 13 13 ARG HD2 H 1 2.857 0.013 9 1 . . . . 13 ARG HD# . 26509 1 102 . 1 1 13 13 ARG HD3 H 1 2.857 0.013 9 1 . . . . 13 ARG HD# . 26509 1 103 . 1 1 13 13 ARG C C 13 175.849 0.011 3 1 . . . . 13 ARG C . 26509 1 104 . 1 1 13 13 ARG CA C 13 55.535 0.143 12 1 . . . . 13 ARG CA . 26509 1 105 . 1 1 13 13 ARG CB C 13 29.143 0.178 5 1 . . . . 13 ARG CB . 26509 1 106 . 1 1 13 13 ARG CG C 13 26.908 0.083 5 1 . . . . 13 ARG CG . 26509 1 107 . 1 1 13 13 ARG CD C 13 42.882 0.082 7 1 . . . . 13 ARG CD . 26509 1 108 . 1 1 13 13 ARG N N 15 120.965 0.073 12 1 . . . . 13 ARG N . 26509 1 109 . 1 1 14 14 ASP H H 1 8.589 0.007 33 1 . . . . 14 ASP HN . 26509 1 110 . 1 1 14 14 ASP HA H 1 4.336 0.01 5 1 . . . . 14 ASP HA . 26509 1 111 . 1 1 14 14 ASP HB2 H 1 2.584 0.015 7 1 . . . . 14 ASP HB# . 26509 1 112 . 1 1 14 14 ASP HB3 H 1 2.584 0.015 7 1 . . . . 14 ASP HB# . 26509 1 113 . 1 1 14 14 ASP C C 13 177.149 0.002 2 1 . . . . 14 ASP C . 26509 1 114 . 1 1 14 14 ASP CA C 13 55.292 0.085 12 1 . . . . 14 ASP CA . 26509 1 115 . 1 1 14 14 ASP CB C 13 40.438 0.134 7 1 . . . . 14 ASP CB . 26509 1 116 . 1 1 14 14 ASP N N 15 123.726 0.075 33 1 . . . . 14 ASP N . 26509 1 117 . 1 1 15 15 LYS H H 1 8.617 0.008 21 1 . . . . 15 LYS HN . 26509 1 118 . 1 1 15 15 LYS HA H 1 4.04 0.009 14 1 . . . . 15 LYS HA . 26509 1 119 . 1 1 15 15 LYS HB2 H 1 1.861 0.004 5 1 . . . . 15 LYS HB2 . 26509 1 120 . 1 1 15 15 LYS HB3 H 1 1.837 0.007 8 1 . . . . 15 LYS HB3 . 26509 1 121 . 1 1 15 15 LYS HG2 H 1 1.437 0.008 6 1 . . . . 15 LYS HG2 . 26509 1 122 . 1 1 15 15 LYS HG3 H 1 1.401 0.006 10 1 . . . . 15 LYS HG3 . 26509 1 123 . 1 1 15 15 LYS HD2 H 1 1.657 0.014 11 1 . . . . 15 LYS HD# . 26509 1 124 . 1 1 15 15 LYS HD3 H 1 1.657 0.014 11 1 . . . . 15 LYS HD# . 26509 1 125 . 1 1 15 15 LYS HE2 H 1 2.964 0.007 8 1 . . . . 15 LYS HE# . 26509 1 126 . 1 1 15 15 LYS HE3 H 1 2.964 0.007 8 1 . . . . 15 LYS HE# . 26509 1 127 . 1 1 15 15 LYS C C 13 178.517 0.001 2 1 . . . . 15 LYS C . 26509 1 128 . 1 1 15 15 LYS CA C 13 58.885 0.069 9 1 . . . . 15 LYS CA . 26509 1 129 . 1 1 15 15 LYS CB C 13 31.862 0.04 12 1 . . . . 15 LYS CB . 26509 1 130 . 1 1 15 15 LYS CG C 13 24.831 0.034 10 1 . . . . 15 LYS CG . 26509 1 131 . 1 1 15 15 LYS CD C 13 28.923 0.106 9 1 . . . . 15 LYS CD . 26509 1 132 . 1 1 15 15 LYS CE C 13 41.895 0 1 1 . . . . 15 LYS CE . 26509 1 133 . 1 1 15 15 LYS N N 15 122.219 0.096 20 1 . . . . 15 LYS N . 26509 1 134 . 1 1 16 16 GLU H H 1 8.255 0.012 35 1 . . . . 16 GLU HN . 26509 1 135 . 1 1 16 16 GLU HA H 1 4.157 0.009 10 1 . . . . 16 GLU HA . 26509 1 136 . 1 1 16 16 GLU HB2 H 1 1.916 0.016 10 1 . . . . 16 GLU HB# . 26509 1 137 . 1 1 16 16 GLU HB3 H 1 1.916 0.016 10 1 . . . . 16 GLU HB# . 26509 1 138 . 1 1 16 16 GLU HG2 H 1 2.229 0.001 3 1 . . . . 16 GLU HG2 . 26509 1 139 . 1 1 16 16 GLU HG3 H 1 2.151 0.002 5 1 . . . . 16 GLU HG3 . 26509 1 140 . 1 1 16 16 GLU HE2 H 1 2.804 0 1 1 . . . . 16 GLU HE2 . 26509 1 141 . 1 1 16 16 GLU C C 13 177.482 0.017 2 1 . . . . 16 GLU C . 26509 1 142 . 1 1 16 16 GLU CA C 13 58.721 0.092 8 1 . . . . 16 GLU CA . 26509 1 143 . 1 1 16 16 GLU CB C 13 30.409 0.159 8 1 . . . . 16 GLU CB . 26509 1 144 . 1 1 16 16 GLU CG C 13 36.56 0.125 4 1 . . . . 16 GLU CG . 26509 1 145 . 1 1 16 16 GLU N N 15 117.987 0.081 34 1 . . . . 16 GLU N . 26509 1 146 . 1 1 17 17 CYS H H 1 8.045 0.02 24 1 . . . . 17 CYS HN . 26509 1 147 . 1 1 17 17 CYS HA H 1 4.028 0.009 6 1 . . . . 17 CYS HA . 26509 1 148 . 1 1 17 17 CYS HB2 H 1 3.005 0.011 8 1 . . . . 17 CYS HB# . 26509 1 149 . 1 1 17 17 CYS HB3 H 1 3.005 0.011 8 1 . . . . 17 CYS HB# . 26509 1 150 . 1 1 17 17 CYS HG H 1 1.656 0 1 1 . . . . 17 CYS HG . 26509 1 151 . 1 1 17 17 CYS C C 13 173.538 0 1 1 . . . . 17 CYS C . 26509 1 152 . 1 1 17 17 CYS CA C 13 59.274 0.154 9 1 . . . . 17 CYS CA . 26509 1 153 . 1 1 17 17 CYS CB C 13 27.918 0.105 7 1 . . . . 17 CYS CB . 26509 1 154 . 1 1 17 17 CYS N N 15 113.002 0.081 23 1 . . . . 17 CYS N . 26509 1 155 . 1 1 18 18 GLY H H 1 7.525 0.017 25 1 . . . . 18 GLY HN . 26509 1 156 . 1 1 18 18 GLY HA2 H 1 4.299 0.003 6 1 . . . . 18 GLY HA2 . 26509 1 157 . 1 1 18 18 GLY HA3 H 1 4.228 1.15 9 1 . . . . 18 GLY HA3 . 26509 1 158 . 1 1 18 18 GLY C C 13 171.06 0.008 2 1 . . . . 18 GLY C . 26509 1 159 . 1 1 18 18 GLY CA C 13 43.822 0.089 11 1 . . . . 18 GLY CA . 26509 1 160 . 1 1 18 18 GLY N N 15 106.889 0.066 23 1 . . . . 18 GLY N . 26509 1 161 . 1 1 19 19 GLN H H 1 8.463 0.009 25 1 . . . . 19 GLN HN . 26509 1 162 . 1 1 19 19 GLN HA H 1 4.014 0.011 13 1 . . . . 19 GLN HA . 26509 1 163 . 1 1 19 19 GLN HB2 H 1 2.035 0.011 10 1 . . . . 19 GLN HB2 . 26509 1 164 . 1 1 19 19 GLN HB3 H 1 1.888 0.011 10 1 . . . . 19 GLN HB3 . 26509 1 165 . 1 1 19 19 GLN HG2 H 1 2.341 0.012 12 1 . . . . 19 GLN HG# . 26509 1 166 . 1 1 19 19 GLN HG3 H 1 2.341 0.012 12 1 . . . . 19 GLN HG# . 26509 1 167 . 1 1 19 19 GLN HE21 H 1 7.602 0.007 9 1 . . . . 19 GLN HE21 . 26509 1 168 . 1 1 19 19 GLN HE22 H 1 6.934 0.007 7 1 . . . . 19 GLN HE22 . 26509 1 169 . 1 1 19 19 GLN C C 13 175.864 0.005 3 1 . . . . 19 GLN C . 26509 1 170 . 1 1 19 19 GLN CA C 13 56.584 0.071 12 1 . . . . 19 GLN CA . 26509 1 171 . 1 1 19 19 GLN CB C 13 29.518 0.134 10 1 . . . . 19 GLN CB . 26509 1 172 . 1 1 19 19 GLN CG C 13 33.411 0.097 7 1 . . . . 19 GLN CG . 26509 1 173 . 1 1 19 19 GLN N N 15 115.791 0.066 22 1 . . . . 19 GLN N . 26509 1 174 . 1 1 19 19 GLN NE2 N 15 112.38 0.282 14 1 . . . . 19 GLN NE2 . 26509 1 175 . 1 1 20 20 LEU H H 1 8.776 0.015 36 1 . . . . 20 LEU HN . 26509 1 176 . 1 1 20 20 LEU HA H 1 4.053 0.014 15 1 . . . . 20 LEU HA . 26509 1 177 . 1 1 20 20 LEU HB2 H 1 1.899 0.011 11 1 . . . . 20 LEU HB2 . 26509 1 178 . 1 1 20 20 LEU HB3 H 1 1.211 0.019 10 1 . . . . 20 LEU HB3 . 26509 1 179 . 1 1 20 20 LEU HG H 1 1.047 0.013 12 1 . . . . 20 LEU HG . 26509 1 180 . 1 1 20 20 LEU HD11 H 1 0.634 0.011 11 1 . . . . 20 LEU HD1# . 26509 1 181 . 1 1 20 20 LEU HD12 H 1 0.634 0.011 11 1 . . . . 20 LEU HD1# . 26509 1 182 . 1 1 20 20 LEU HD13 H 1 0.634 0.011 11 1 . . . . 20 LEU HD1# . 26509 1 183 . 1 1 20 20 LEU HD21 H 1 0.163 0.013 11 1 . . . . 20 LEU HD2# . 26509 1 184 . 1 1 20 20 LEU HD22 H 1 0.163 0.013 11 1 . . . . 20 LEU HD2# . 26509 1 185 . 1 1 20 20 LEU HD23 H 1 0.163 0.013 11 1 . . . . 20 LEU HD2# . 26509 1 186 . 1 1 20 20 LEU C C 13 174.308 0 1 1 . . . . 20 LEU C . 26509 1 187 . 1 1 20 20 LEU CA C 13 55.35 0.317 11 1 . . . . 20 LEU CA . 26509 1 188 . 1 1 20 20 LEU CB C 13 41.136 0.066 14 1 . . . . 20 LEU CB . 26509 1 189 . 1 1 20 20 LEU CG C 13 26.792 0.052 5 1 . . . . 20 LEU CG . 26509 1 190 . 1 1 20 20 LEU CD1 C 13 25.939 0.018 4 1 . . . . 20 LEU CD1 . 26509 1 191 . 1 1 20 20 LEU CD2 C 13 22.85 0.04 5 1 . . . . 20 LEU CD2 . 26509 1 192 . 1 1 20 20 LEU N N 15 124.805 0.054 33 1 . . . . 20 LEU N . 26509 1 193 . 1 1 21 21 LEU H H 1 8.44 0.012 22 1 . . . . 21 LEU HN . 26509 1 194 . 1 1 21 21 LEU HA H 1 4.551 0.009 17 1 . . . . 21 LEU HA . 26509 1 195 . 1 1 21 21 LEU HB2 H 1 1.947 0.01 11 1 . . . . 21 LEU HB2 . 26509 1 196 . 1 1 21 21 LEU HB3 H 1 1.435 0.011 10 1 . . . . 21 LEU HB3 . 26509 1 197 . 1 1 21 21 LEU HG H 1 1.686 0.009 13 1 . . . . 21 LEU HG . 26509 1 198 . 1 1 21 21 LEU HD11 H 1 0.767 0.011 10 1 . . . . 21 LEU HD1# . 26509 1 199 . 1 1 21 21 LEU HD12 H 1 0.767 0.011 10 1 . . . . 21 LEU HD1# . 26509 1 200 . 1 1 21 21 LEU HD13 H 1 0.767 0.011 10 1 . . . . 21 LEU HD1# . 26509 1 201 . 1 1 21 21 LEU HD21 H 1 0.695 0.009 11 1 . . . . 21 LEU HD2# . 26509 1 202 . 1 1 21 21 LEU HD22 H 1 0.695 0.009 11 1 . . . . 21 LEU HD2# . 26509 1 203 . 1 1 21 21 LEU HD23 H 1 0.695 0.009 11 1 . . . . 21 LEU HD2# . 26509 1 204 . 1 1 21 21 LEU C C 13 174.478 0 1 1 . . . . 21 LEU C . 26509 1 205 . 1 1 21 21 LEU CA C 13 54.334 0.127 12 1 . . . . 21 LEU CA . 26509 1 206 . 1 1 21 21 LEU CB C 13 41.895 0.147 14 1 . . . . 21 LEU CB . 26509 1 207 . 1 1 21 21 LEU CG C 13 27.295 0.055 5 1 . . . . 21 LEU CG . 26509 1 208 . 1 1 21 21 LEU CD1 C 13 23.034 0.044 4 1 . . . . 21 LEU CD1 . 26509 1 209 . 1 1 21 21 LEU CD2 C 13 25.352 0.056 4 1 . . . . 21 LEU CD2 . 26509 1 210 . 1 1 21 21 LEU N N 15 133.429 0.063 20 1 . . . . 21 LEU N . 26509 1 211 . 1 1 22 22 ILE H H 1 8.247 0.007 21 1 . . . . 22 ILE HN . 26509 1 212 . 1 1 22 22 ILE HA H 1 4.766 0.012 7 1 . . . . 22 ILE HA . 26509 1 213 . 1 1 22 22 ILE HB H 1 1.557 0.012 13 1 . . . . 22 ILE HB . 26509 1 214 . 1 1 22 22 ILE HG12 H 1 1.409 0.007 13 1 . . . . 22 ILE HG12 . 26509 1 215 . 1 1 22 22 ILE HG13 H 1 0.822 0.017 8 1 . . . . 22 ILE HG13 . 26509 1 216 . 1 1 22 22 ILE HG21 H 1 0.957 0.009 12 1 . . . . 22 ILE HG2# . 26509 1 217 . 1 1 22 22 ILE HG22 H 1 0.957 0.009 12 1 . . . . 22 ILE HG2# . 26509 1 218 . 1 1 22 22 ILE HG23 H 1 0.957 0.009 12 1 . . . . 22 ILE HG2# . 26509 1 219 . 1 1 22 22 ILE HD11 H 1 0.769 0.008 12 1 . . . . 22 ILE HD1# . 26509 1 220 . 1 1 22 22 ILE HD12 H 1 0.769 0.008 12 1 . . . . 22 ILE HD1# . 26509 1 221 . 1 1 22 22 ILE HD13 H 1 0.769 0.008 12 1 . . . . 22 ILE HD1# . 26509 1 222 . 1 1 22 22 ILE C C 13 175.838 0.009 2 1 . . . . 22 ILE C . 26509 1 223 . 1 1 22 22 ILE CA C 13 59.598 0.033 9 1 . . . . 22 ILE CA . 26509 1 224 . 1 1 22 22 ILE CB C 13 41.019 0.187 8 1 . . . . 22 ILE CB . 26509 1 225 . 1 1 22 22 ILE CG1 C 13 27.75 0.012 10 1 . . . . 22 ILE CG1 . 26509 1 226 . 1 1 22 22 ILE CG2 C 13 17.185 0.018 4 1 . . . . 22 ILE CG2 . 26509 1 227 . 1 1 22 22 ILE CD1 C 13 13.91 0.011 4 1 . . . . 22 ILE CD1 . 26509 1 228 . 1 1 22 22 ILE N N 15 120.731 0.111 21 1 . . . . 22 ILE N . 26509 1 229 . 1 1 23 23 SER H H 1 8.945 0.011 12 1 . . . . 23 SER HN . 26509 1 230 . 1 1 23 23 SER HA H 1 4.459 0.01 8 1 . . . . 23 SER HA . 26509 1 231 . 1 1 23 23 SER HB2 H 1 3.796 0.004 7 1 . . . . 23 SER HB# . 26509 1 232 . 1 1 23 23 SER HB3 H 1 3.796 0.004 7 1 . . . . 23 SER HB# . 26509 1 233 . 1 1 23 23 SER C C 13 174.194 0 1 1 . . . . 23 SER C . 26509 1 234 . 1 1 23 23 SER CA C 13 58.286 0.238 8 1 . . . . 23 SER CA . 26509 1 235 . 1 1 23 23 SER CB C 13 63.908 0.07 6 1 . . . . 23 SER CB . 26509 1 236 . 1 1 23 23 SER N N 15 122.629 0.123 11 1 . . . . 23 SER N . 26509 1 237 . 1 1 24 24 GLU H H 1 8.646 0.007 19 1 . . . . 24 GLU HN . 26509 1 238 . 1 1 24 24 GLU CA C 13 56.275 0.058 2 1 . . . . 24 GLU CA . 26509 1 239 . 1 1 24 24 GLU CB C 13 30.099 0 1 1 . . . . 24 GLU CB . 26509 1 240 . 1 1 24 24 GLU N N 15 121.632 0.077 19 1 . . . . 24 GLU N . 26509 1 241 . 1 1 25 25 ASN HA H 1 4.643 0.01 8 1 . . . . 25 ASN HA . 26509 1 242 . 1 1 25 25 ASN HB2 H 1 3.406 0.013 5 1 . . . . 25 ASN HB2 . 26509 1 243 . 1 1 25 25 ASN HB3 H 1 2.934 0.011 9 1 . . . . 25 ASN HB3 . 26509 1 244 . 1 1 25 25 ASN C C 13 175.968 0 1 1 . . . . 25 ASN C . 26509 1 245 . 1 1 25 25 ASN CA C 13 59.548 0.164 7 1 . . . . 25 ASN CA . 26509 1 246 . 1 1 25 25 ASN CB C 13 31.25 0.073 7 1 . . . . 25 ASN CB . 26509 1 247 . 1 1 26 26 GLN H H 1 7.893 0.011 25 1 . . . . 26 GLN HN . 26509 1 248 . 1 1 26 26 GLN HA H 1 4.457 0.007 10 1 . . . . 26 GLN HA . 26509 1 249 . 1 1 26 26 GLN HB2 H 1 3.617 0.011 9 1 . . . . 26 GLN HB2 . 26509 1 250 . 1 1 26 26 GLN HB3 H 1 3.433 0.009 8 1 . . . . 26 GLN HB3 . 26509 1 251 . 1 1 26 26 GLN HE21 H 1 7.511 0 1 1 . . . . 26 GLN HE21 . 26509 1 252 . 1 1 26 26 GLN HE22 H 1 6.824 0.005 3 1 . . . . 26 GLN HE22 . 26509 1 253 . 1 1 26 26 GLN C C 13 172.969 0.008 2 1 . . . . 26 GLN C . 26509 1 254 . 1 1 26 26 GLN CA C 13 57.038 0.132 9 1 . . . . 26 GLN CA . 26509 1 255 . 1 1 26 26 GLN CB C 13 26.382 0.16 11 1 . . . . 26 GLN CB . 26509 1 256 . 1 1 26 26 GLN CG C 13 34.097 0 1 1 . . . . 26 GLN CG . 26509 1 257 . 1 1 26 26 GLN N N 15 115.514 0.116 23 1 . . . . 26 GLN N . 26509 1 258 . 1 1 26 26 GLN NE2 N 15 113.182 0.307 4 1 . . . . 26 GLN NE2 . 26509 1 259 . 1 1 27 27 LYS H H 1 8.203 0.01 17 1 . . . . 27 LYS HN . 26509 1 260 . 1 1 27 27 LYS HA H 1 4.613 0.013 2 1 . . . . 27 LYS HA . 26509 1 261 . 1 1 27 27 LYS HB2 H 1 1.765 0.003 2 1 . . . . 27 LYS HB# . 26509 1 262 . 1 1 27 27 LYS HB3 H 1 1.765 0.003 2 1 . . . . 27 LYS HB# . 26509 1 263 . 1 1 27 27 LYS C C 13 176.142 0 1 1 . . . . 27 LYS C . 26509 1 264 . 1 1 27 27 LYS CA C 13 55.554 2.335 4 1 . . . . 27 LYS CA . 26509 1 265 . 1 1 27 27 LYS CB C 13 28.708 0 1 1 . . . . 27 LYS CB . 26509 1 266 . 1 1 27 27 LYS N N 15 117.945 0.064 15 1 . . . . 27 LYS N . 26509 1 267 . 1 1 28 28 VAL H H 1 7.768 0.007 15 1 . . . . 28 VAL HN . 26509 1 268 . 1 1 28 28 VAL HA H 1 4.181 0.011 12 1 . . . . 28 VAL HA . 26509 1 269 . 1 1 28 28 VAL HB H 1 1.728 0.011 15 1 . . . . 28 VAL HB . 26509 1 270 . 1 1 28 28 VAL HG11 H 1 0.796 0.009 5 1 . . . . 28 VAL HG1# . 26509 1 271 . 1 1 28 28 VAL HG12 H 1 0.796 0.009 5 1 . . . . 28 VAL HG1# . 26509 1 272 . 1 1 28 28 VAL HG13 H 1 0.796 0.009 5 1 . . . . 28 VAL HG1# . 26509 1 273 . 1 1 28 28 VAL HG21 H 1 0.729 0.007 6 1 . . . . 28 VAL HG2# . 26509 1 274 . 1 1 28 28 VAL HG22 H 1 0.729 0.007 6 1 . . . . 28 VAL HG2# . 26509 1 275 . 1 1 28 28 VAL HG23 H 1 0.729 0.007 6 1 . . . . 28 VAL HG2# . 26509 1 276 . 1 1 28 28 VAL C C 13 171.715 0.008 3 1 . . . . 28 VAL C . 26509 1 277 . 1 1 28 28 VAL CA C 13 61.087 0.088 12 1 . . . . 28 VAL CA . 26509 1 278 . 1 1 28 28 VAL CB C 13 34.736 0.104 10 1 . . . . 28 VAL CB . 26509 1 279 . 1 1 28 28 VAL CG1 C 13 21.675 0.068 7 1 . . . . 28 VAL CG# . 26509 1 280 . 1 1 28 28 VAL CG2 C 13 21.675 0.068 7 1 . . . . 28 VAL CG# . 26509 1 281 . 1 1 28 28 VAL N N 15 118.027 0.054 13 1 . . . . 28 VAL N . 26509 1 282 . 1 1 29 29 ALA H H 1 8.094 0.015 37 1 . . . . 29 ALA HN . 26509 1 283 . 1 1 29 29 ALA HA H 1 5.438 0.008 6 1 . . . . 29 ALA HA . 26509 1 284 . 1 1 29 29 ALA HB1 H 1 0.962 0.013 8 1 . . . . 29 ALA MB . 26509 1 285 . 1 1 29 29 ALA HB2 H 1 0.962 0.013 8 1 . . . . 29 ALA MB . 26509 1 286 . 1 1 29 29 ALA HB3 H 1 0.962 0.013 8 1 . . . . 29 ALA MB . 26509 1 287 . 1 1 29 29 ALA C C 13 175.854 0.001 2 1 . . . . 29 ALA C . 26509 1 288 . 1 1 29 29 ALA CA C 13 49.832 0.156 9 1 . . . . 29 ALA CA . 26509 1 289 . 1 1 29 29 ALA CB C 13 22.887 0.06 6 1 . . . . 29 ALA CB . 26509 1 290 . 1 1 29 29 ALA N N 15 127.396 0.079 35 1 . . . . 29 ALA N . 26509 1 291 . 1 1 30 30 ALA H H 1 9.162 0.009 23 1 . . . . 30 ALA HN . 26509 1 292 . 1 1 30 30 ALA HA H 1 5.313 0.015 6 1 . . . . 30 ALA HA . 26509 1 293 . 1 1 30 30 ALA HB1 H 1 1.61 0.011 8 1 . . . . 30 ALA MB . 26509 1 294 . 1 1 30 30 ALA HB2 H 1 1.61 0.011 8 1 . . . . 30 ALA MB . 26509 1 295 . 1 1 30 30 ALA HB3 H 1 1.61 0.011 8 1 . . . . 30 ALA MB . 26509 1 296 . 1 1 30 30 ALA C C 13 176.657 0.01 2 1 . . . . 30 ALA C . 26509 1 297 . 1 1 30 30 ALA CA C 13 51.819 0.094 7 1 . . . . 30 ALA CA . 26509 1 298 . 1 1 30 30 ALA CB C 13 21.767 0.115 7 1 . . . . 30 ALA CB . 26509 1 299 . 1 1 30 30 ALA N N 15 121.118 0.079 21 1 . . . . 30 ALA N . 26509 1 300 . 1 1 31 31 HIS H H 1 9.207 0.007 20 1 . . . . 31 HIS HN . 26509 1 301 . 1 1 31 31 HIS HA H 1 5.182 0.009 10 1 . . . . 31 HIS HA . 26509 1 302 . 1 1 31 31 HIS HB2 H 1 4.042 0.012 8 1 . . . . 31 HIS HB2 . 26509 1 303 . 1 1 31 31 HIS HB3 H 1 3.479 0.007 8 1 . . . . 31 HIS HB3 . 26509 1 304 . 1 1 31 31 HIS C C 13 178.015 0.012 2 1 . . . . 31 HIS C . 26509 1 305 . 1 1 31 31 HIS CA C 13 58.266 0.138 10 1 . . . . 31 HIS CA . 26509 1 306 . 1 1 31 31 HIS CB C 13 31.479 0.118 9 1 . . . . 31 HIS CB . 26509 1 307 . 1 1 31 31 HIS N N 15 121.523 0.096 20 1 . . . . 31 HIS N . 26509 1 308 . 1 1 32 32 HIS H H 1 8.854 0.008 21 1 . . . . 32 HIS HN . 26509 1 309 . 1 1 32 32 HIS HA H 1 4.318 0.005 7 1 . . . . 32 HIS HA . 26509 1 310 . 1 1 32 32 HIS HB2 H 1 3.281 0.028 8 1 . . . . 32 HIS HB2 . 26509 1 311 . 1 1 32 32 HIS HB3 H 1 3.184 0.001 2 1 . . . . 32 HIS HB3 . 26509 1 312 . 1 1 32 32 HIS C C 13 177.578 0.001 2 1 . . . . 32 HIS C . 26509 1 313 . 1 1 32 32 HIS CA C 13 60.176 0.093 8 1 . . . . 32 HIS CA . 26509 1 314 . 1 1 32 32 HIS CB C 13 33.29 0.111 7 1 . . . . 32 HIS CB . 26509 1 315 . 1 1 32 32 HIS N N 15 120.606 0.092 19 1 . . . . 32 HIS N . 26509 1 316 . 1 1 33 33 LYS H H 1 8.598 0.011 26 1 . . . . 33 LYS HN . 26509 1 317 . 1 1 33 33 LYS HA H 1 3.686 0.002 3 1 . . . . 33 LYS HA . 26509 1 318 . 1 1 33 33 LYS C C 13 177.269 0 1 1 . . . . 33 LYS C . 26509 1 319 . 1 1 33 33 LYS CA C 13 60.208 0.07 3 1 . . . . 33 LYS CA . 26509 1 320 . 1 1 33 33 LYS CB C 13 30.639 0.064 2 1 . . . . 33 LYS CB . 26509 1 321 . 1 1 33 33 LYS N N 15 112.17 0.076 24 1 . . . . 33 LYS N . 26509 1 322 . 1 1 34 34 CYS H H 1 6.275 0.009 14 1 . . . . 34 CYS HN . 26509 1 323 . 1 1 34 34 CYS HA H 1 3.754 0.007 8 1 . . . . 34 CYS HA . 26509 1 324 . 1 1 34 34 CYS HB2 H 1 3.002 0 2 1 . . . . 34 CYS HB2 . 26509 1 325 . 1 1 34 34 CYS HB3 H 1 2.937 0.002 2 1 . . . . 34 CYS HB3 . 26509 1 326 . 1 1 34 34 CYS CA C 13 63.721 0.053 7 1 . . . . 34 CYS CA . 26509 1 327 . 1 1 34 34 CYS CB C 13 28.468 0.144 5 1 . . . . 34 CYS CB . 26509 1 328 . 1 1 34 34 CYS N N 15 115.612 0.061 11 1 . . . . 34 CYS N . 26509 1 329 . 1 1 35 35 MET H H 1 7.029 0.018 16 1 . . . . 35 MET HN . 26509 1 330 . 1 1 35 35 MET HA H 1 3.838 0.003 5 1 . . . . 35 MET HA . 26509 1 331 . 1 1 35 35 MET HB2 H 1 2.995 0.007 4 1 . . . . 35 MET HB# . 26509 1 332 . 1 1 35 35 MET HB3 H 1 2.995 0.007 4 1 . . . . 35 MET HB# . 26509 1 333 . 1 1 35 35 MET C C 13 176.656 0.016 2 1 . . . . 35 MET C . 26509 1 334 . 1 1 35 35 MET CA C 13 58.886 0.151 5 1 . . . . 35 MET CA . 26509 1 335 . 1 1 35 35 MET CB C 13 28.931 0.069 3 1 . . . . 35 MET CB . 26509 1 336 . 1 1 35 35 MET CG C 13 32.725 0.062 2 1 . . . . 35 MET CG . 26509 1 337 . 1 1 35 35 MET N N 15 113.272 0.161 13 1 . . . . 35 MET N . 26509 1 338 . 1 1 36 36 LEU H H 1 8.153 0.012 16 1 . . . . 36 LEU HN . 26509 1 339 . 1 1 36 36 LEU HA H 1 3.518 0.012 15 1 . . . . 36 LEU HA . 26509 1 340 . 1 1 36 36 LEU HB2 H 1 1.038 0.009 10 1 . . . . 36 LEU HB2 . 26509 1 341 . 1 1 36 36 LEU HB3 H 1 0.302 0.015 12 1 . . . . 36 LEU HB3 . 26509 1 342 . 1 1 36 36 LEU HG H 1 0.923 0.02 14 1 . . . . 36 LEU HG . 26509 1 343 . 1 1 36 36 LEU HD11 H 1 0.361 0.013 12 1 . . . . 36 LEU HD1# . 26509 1 344 . 1 1 36 36 LEU HD12 H 1 0.361 0.013 12 1 . . . . 36 LEU HD1# . 26509 1 345 . 1 1 36 36 LEU HD13 H 1 0.361 0.013 12 1 . . . . 36 LEU HD1# . 26509 1 346 . 1 1 36 36 LEU HD21 H 1 0.034 0.008 11 1 . . . . 36 LEU HD2# . 26509 1 347 . 1 1 36 36 LEU HD22 H 1 0.034 0.008 11 1 . . . . 36 LEU HD2# . 26509 1 348 . 1 1 36 36 LEU HD23 H 1 0.034 0.008 11 1 . . . . 36 LEU HD2# . 26509 1 349 . 1 1 36 36 LEU C C 13 177.352 0 1 1 . . . . 36 LEU C . 26509 1 350 . 1 1 36 36 LEU CA C 13 57.668 0.082 10 1 . . . . 36 LEU CA . 26509 1 351 . 1 1 36 36 LEU CB C 13 43.124 0.057 15 1 . . . . 36 LEU CB . 26509 1 352 . 1 1 36 36 LEU CG C 13 25.884 0.037 5 1 . . . . 36 LEU CG . 26509 1 353 . 1 1 36 36 LEU CD1 C 13 22.767 0.104 5 1 . . . . 36 LEU CD1 . 26509 1 354 . 1 1 36 36 LEU CD2 C 13 23.684 0.125 6 1 . . . . 36 LEU CD2 . 26509 1 355 . 1 1 36 36 LEU N N 15 117.56 0.092 15 1 . . . . 36 LEU N . 26509 1 356 . 1 1 37 37 PHE H H 1 7.246 0.021 24 1 . . . . 37 PHE HN . 26509 1 357 . 1 1 37 37 PHE HA H 1 4.065 0.014 12 1 . . . . 37 PHE HA . 26509 1 358 . 1 1 37 37 PHE HB2 H 1 3.223 0.013 10 1 . . . . 37 PHE HB2 . 26509 1 359 . 1 1 37 37 PHE HB3 H 1 2.648 0.017 10 1 . . . . 37 PHE HB3 . 26509 1 360 . 1 1 37 37 PHE C C 13 175.158 0.054 3 1 . . . . 37 PHE C . 26509 1 361 . 1 1 37 37 PHE CA C 13 58.658 0.089 11 1 . . . . 37 PHE CA . 26509 1 362 . 1 1 37 37 PHE CB C 13 39.551 0.09 10 1 . . . . 37 PHE CB . 26509 1 363 . 1 1 37 37 PHE N N 15 109.132 0.113 22 1 . . . . 37 PHE N . 26509 1 364 . 1 1 38 38 SER H H 1 7.233 0.018 28 1 . . . . 38 SER HN . 26509 1 365 . 1 1 38 38 SER HB2 H 1 3.825 0 2 1 . . . . 38 SER HB# . 26509 1 366 . 1 1 38 38 SER HB3 H 1 3.825 0 2 1 . . . . 38 SER HB# . 26509 1 367 . 1 1 38 38 SER C C 13 178.555 0 1 1 . . . . 38 SER C . 26509 1 368 . 1 1 38 38 SER CA C 13 61.428 0.066 4 1 . . . . 38 SER CA . 26509 1 369 . 1 1 38 38 SER CB C 13 62.927 0.079 2 1 . . . . 38 SER CB . 26509 1 370 . 1 1 38 38 SER N N 15 119.462 0.087 26 1 . . . . 38 SER N . 26509 1 371 . 1 1 39 39 SER H H 1 8.54 0.009 15 1 . . . . 39 SER HN . 26509 1 372 . 1 1 39 39 SER HA H 1 4.309 0.006 10 1 . . . . 39 SER HA . 26509 1 373 . 1 1 39 39 SER HB2 H 1 3.914 0.004 4 1 . . . . 39 SER HB2 . 26509 1 374 . 1 1 39 39 SER HB3 H 1 3.859 0.009 3 1 . . . . 39 SER HB3 . 26509 1 375 . 1 1 39 39 SER C C 13 174.337 0 1 1 . . . . 39 SER C . 26509 1 376 . 1 1 39 39 SER CA C 13 62.913 0.073 10 1 . . . . 39 SER CA . 26509 1 377 . 1 1 39 39 SER CB C 13 63.982 0.049 3 1 . . . . 39 SER CB . 26509 1 378 . 1 1 39 39 SER N N 15 120.783 0.054 13 1 . . . . 39 SER N . 26509 1 379 . 1 1 40 40 ALA H H 1 8.006 0.012 20 1 . . . . 40 ALA HN . 26509 1 380 . 1 1 40 40 ALA HA H 1 4.662 0.007 8 1 . . . . 40 ALA HA . 26509 1 381 . 1 1 40 40 ALA HB1 H 1 1.452 0.011 8 1 . . . . 40 ALA MB . 26509 1 382 . 1 1 40 40 ALA HB2 H 1 1.452 0.011 8 1 . . . . 40 ALA MB . 26509 1 383 . 1 1 40 40 ALA HB3 H 1 1.452 0.011 8 1 . . . . 40 ALA MB . 26509 1 384 . 1 1 40 40 ALA C C 13 176.125 0 1 1 . . . . 40 ALA C . 26509 1 385 . 1 1 40 40 ALA CA C 13 51.278 0.058 7 1 . . . . 40 ALA CA . 26509 1 386 . 1 1 40 40 ALA CB C 13 18.772 0.098 7 1 . . . . 40 ALA CB . 26509 1 387 . 1 1 40 40 ALA N N 15 121.855 0.089 18 1 . . . . 40 ALA N . 26509 1 388 . 1 1 41 41 LEU H H 1 6.972 0.01 27 1 . . . . 41 LEU HN . 26509 1 389 . 1 1 41 41 LEU HA H 1 4.565 0.007 15 1 . . . . 41 LEU HA . 26509 1 390 . 1 1 41 41 LEU HB2 H 1 1.535 0.02 13 1 . . . . 41 LEU HB2 . 26509 1 391 . 1 1 41 41 LEU HB3 H 1 1.225 0.009 9 1 . . . . 41 LEU HB3 . 26509 1 392 . 1 1 41 41 LEU HG H 1 1.325 0.007 14 1 . . . . 41 LEU HG . 26509 1 393 . 1 1 41 41 LEU HD11 H 1 0.766 0.007 10 1 . . . . 41 LEU HD1# . 26509 1 394 . 1 1 41 41 LEU HD12 H 1 0.766 0.007 10 1 . . . . 41 LEU HD1# . 26509 1 395 . 1 1 41 41 LEU HD13 H 1 0.766 0.007 10 1 . . . . 41 LEU HD1# . 26509 1 396 . 1 1 41 41 LEU HD21 H 1 0.523 0.009 11 1 . . . . 41 LEU HD2# . 26509 1 397 . 1 1 41 41 LEU HD22 H 1 0.523 0.009 11 1 . . . . 41 LEU HD2# . 26509 1 398 . 1 1 41 41 LEU HD23 H 1 0.523 0.009 11 1 . . . . 41 LEU HD2# . 26509 1 399 . 1 1 41 41 LEU C C 13 175.047 0 1 1 . . . . 41 LEU C . 26509 1 400 . 1 1 41 41 LEU CA C 13 54.151 0.156 13 1 . . . . 41 LEU CA . 26509 1 401 . 1 1 41 41 LEU CB C 13 43.434 0.093 13 1 . . . . 41 LEU CB . 26509 1 402 . 1 1 41 41 LEU CG C 13 26.805 0.078 7 1 . . . . 41 LEU CG . 26509 1 403 . 1 1 41 41 LEU CD1 C 13 24.524 0.24 7 1 . . . . 41 LEU CD1 . 26509 1 404 . 1 1 41 41 LEU CD2 C 13 25.293 0.049 4 1 . . . . 41 LEU CD2 . 26509 1 405 . 1 1 41 41 LEU N N 15 120.761 0.039 24 1 . . . . 41 LEU N . 26509 1 406 . 1 1 42 42 VAL H H 1 8.633 0.011 27 1 . . . . 42 VAL HN . 26509 1 407 . 1 1 42 42 VAL HA H 1 4.504 0.005 11 1 . . . . 42 VAL HA . 26509 1 408 . 1 1 42 42 VAL HB H 1 2.065 0.008 16 1 . . . . 42 VAL HB . 26509 1 409 . 1 1 42 42 VAL HG11 H 1 1.004 0.006 11 1 . . . . 42 VAL HG1# . 26509 1 410 . 1 1 42 42 VAL HG12 H 1 1.004 0.006 11 1 . . . . 42 VAL HG1# . 26509 1 411 . 1 1 42 42 VAL HG13 H 1 1.004 0.006 11 1 . . . . 42 VAL HG1# . 26509 1 412 . 1 1 42 42 VAL HG21 H 1 0.914 0.01 9 1 . . . . 42 VAL HG2# . 26509 1 413 . 1 1 42 42 VAL HG22 H 1 0.914 0.01 9 1 . . . . 42 VAL HG2# . 26509 1 414 . 1 1 42 42 VAL HG23 H 1 0.914 0.01 9 1 . . . . 42 VAL HG2# . 26509 1 415 . 1 1 42 42 VAL C C 13 175.256 0.011 3 1 . . . . 42 VAL C . 26509 1 416 . 1 1 42 42 VAL CA C 13 60.81 0.107 12 1 . . . . 42 VAL CA . 26509 1 417 . 1 1 42 42 VAL CB C 13 34.609 0.047 11 1 . . . . 42 VAL CB . 26509 1 418 . 1 1 42 42 VAL CG1 C 13 21.149 0.101 7 1 . . . . 42 VAL CG1 . 26509 1 419 . 1 1 42 42 VAL CG2 C 13 20.252 0.011 5 1 . . . . 42 VAL CG2 . 26509 1 420 . 1 1 42 42 VAL N N 15 124.276 0.125 25 1 . . . . 42 VAL N . 26509 1 421 . 1 1 43 43 SER H H 1 8.77 0.007 32 1 . . . . 43 SER HN . 26509 1 422 . 1 1 43 43 SER HA H 1 3.877 0.022 9 1 . . . . 43 SER HA . 26509 1 423 . 1 1 43 43 SER HB2 H 1 3.401 0.001 3 1 . . . . 43 SER HB2 . 26509 1 424 . 1 1 43 43 SER HB3 H 1 3.329 0.002 2 1 . . . . 43 SER HB3 . 26509 1 425 . 1 1 43 43 SER C C 13 174.013 0 1 1 . . . . 43 SER C . 26509 1 426 . 1 1 43 43 SER CA C 13 58.706 0.163 9 1 . . . . 43 SER CA . 26509 1 427 . 1 1 43 43 SER CB C 13 63.109 0.139 4 1 . . . . 43 SER CB . 26509 1 428 . 1 1 43 43 SER N N 15 120.967 0.068 31 1 . . . . 43 SER N . 26509 1 429 . 1 1 44 44 SER H H 1 8.168 0.015 21 1 . . . . 44 SER HN . 26509 1 430 . 1 1 44 44 SER HA H 1 4.533 0.003 8 1 . . . . 44 SER HA . 26509 1 431 . 1 1 44 44 SER HB2 H 1 3.872 0.006 6 1 . . . . 44 SER HB# . 26509 1 432 . 1 1 44 44 SER HB3 H 1 3.872 0.006 6 1 . . . . 44 SER HB# . 26509 1 433 . 1 1 44 44 SER C C 13 173.669 0 1 1 . . . . 44 SER C . 26509 1 434 . 1 1 44 44 SER CA C 13 57.707 0.092 10 1 . . . . 44 SER CA . 26509 1 435 . 1 1 44 44 SER CB C 13 64.503 0.046 5 1 . . . . 44 SER CB . 26509 1 436 . 1 1 44 44 SER N N 15 117.441 0.079 19 1 . . . . 44 SER N . 26509 1 437 . 1 1 45 45 HIS H H 1 8.642 0.009 23 1 . . . . 45 HIS HN . 26509 1 438 . 1 1 45 45 HIS HA H 1 4.564 0.004 7 1 . . . . 45 HIS HA . 26509 1 439 . 1 1 45 45 HIS HB2 H 1 3.203 0 1 1 . . . . 45 HIS HB2 . 26509 1 440 . 1 1 45 45 HIS HB3 H 1 3.123 0 1 1 . . . . 45 HIS HB3 . 26509 1 441 . 1 1 45 45 HIS C C 13 174.166 0 2 1 . . . . 45 HIS C . 26509 1 442 . 1 1 45 45 HIS CA C 13 55.857 0.105 5 1 . . . . 45 HIS CA . 26509 1 443 . 1 1 45 45 HIS CB C 13 28.507 0.16 7 1 . . . . 45 HIS CB . 26509 1 444 . 1 1 45 45 HIS N N 15 120.27 0.102 21 1 . . . . 45 HIS N . 26509 1 445 . 1 1 46 46 SER H H 1 8.26 0.011 23 1 . . . . 46 SER HN . 26509 1 446 . 1 1 46 46 SER HA H 1 4.512 0.014 8 1 . . . . 46 SER HA . 26509 1 447 . 1 1 46 46 SER HB2 H 1 3.789 0.015 6 1 . . . . 46 SER HB# . 26509 1 448 . 1 1 46 46 SER HB3 H 1 3.789 0.015 6 1 . . . . 46 SER HB# . 26509 1 449 . 1 1 46 46 SER C C 13 173.994 0 1 1 . . . . 46 SER C . 26509 1 450 . 1 1 46 46 SER CA C 13 57.514 0.214 10 1 . . . . 46 SER CA . 26509 1 451 . 1 1 46 46 SER CB C 13 64.127 0.092 6 1 . . . . 46 SER CB . 26509 1 452 . 1 1 46 46 SER N N 15 116.909 0.061 20 1 . . . . 46 SER N . 26509 1 453 . 1 1 47 47 ASP H H 1 8.518 0.01 25 1 . . . . 47 ASP HN . 26509 1 454 . 1 1 47 47 ASP HA H 1 4.585 0.01 12 1 . . . . 47 ASP HA . 26509 1 455 . 1 1 47 47 ASP HB2 H 1 2.729 0.011 10 1 . . . . 47 ASP HB2 . 26509 1 456 . 1 1 47 47 ASP HB3 H 1 2.594 0.013 10 1 . . . . 47 ASP HB3 . 26509 1 457 . 1 1 47 47 ASP C C 13 175.929 0 1 1 . . . . 47 ASP C . 26509 1 458 . 1 1 47 47 ASP CA C 13 54.677 0.069 11 1 . . . . 47 ASP CA . 26509 1 459 . 1 1 47 47 ASP CB C 13 40.732 0.101 10 1 . . . . 47 ASP CB . 26509 1 460 . 1 1 47 47 ASP N N 15 121.911 0.051 23 1 . . . . 47 ASP N . 26509 1 461 . 1 1 48 48 ASN H H 1 8.242 0.009 25 1 . . . . 48 ASN HN . 26509 1 462 . 1 1 48 48 ASN HA H 1 4.681 0.008 7 1 . . . . 48 ASN HA . 26509 1 463 . 1 1 48 48 ASN HB2 H 1 2.887 0.011 11 1 . . . . 48 ASN HB2 . 26509 1 464 . 1 1 48 48 ASN HB3 H 1 2.719 0.01 7 1 . . . . 48 ASN HB3 . 26509 1 465 . 1 1 48 48 ASN HD21 H 1 7.658 0.008 8 1 . . . . 48 ASN HD21 . 26509 1 466 . 1 1 48 48 ASN HD22 H 1 7.029 0.005 7 1 . . . . 48 ASN HD22 . 26509 1 467 . 1 1 48 48 ASN C C 13 174.507 0.006 2 1 . . . . 48 ASN C . 26509 1 468 . 1 1 48 48 ASN CA C 13 53.088 0.087 9 1 . . . . 48 ASN CA . 26509 1 469 . 1 1 48 48 ASN CB C 13 39.121 0.222 9 1 . . . . 48 ASN CB . 26509 1 470 . 1 1 48 48 ASN N N 15 118.139 0.062 25 1 . . . . 48 ASN N . 26509 1 471 . 1 1 48 48 ASN ND2 N 15 113.432 0.276 15 1 . . . . 48 ASN ND2 . 26509 1 472 . 1 1 49 49 GLU H H 1 8.402 0.012 18 1 . . . . 49 GLU HN . 26509 1 473 . 1 1 49 49 GLU HA H 1 4.021 0.012 7 1 . . . . 49 GLU HA . 26509 1 474 . 1 1 49 49 GLU HB2 H 1 1.981 0.009 6 1 . . . . 49 GLU HB# . 26509 1 475 . 1 1 49 49 GLU HB3 H 1 1.981 0.009 6 1 . . . . 49 GLU HB# . 26509 1 476 . 1 1 49 49 GLU HE2 H 1 2.928 0.009 2 1 . . . . 49 GLU HE2 . 26509 1 477 . 1 1 49 49 GLU C C 13 174.485 0 1 1 . . . . 49 GLU C . 26509 1 478 . 1 1 49 49 GLU CA C 13 57.201 0.129 8 1 . . . . 49 GLU CA . 26509 1 479 . 1 1 49 49 GLU CB C 13 29.905 0.005 2 1 . . . . 49 GLU CB . 26509 1 480 . 1 1 49 49 GLU CG C 13 36.143 0.059 2 1 . . . . 49 GLU CG . 26509 1 481 . 1 1 49 49 GLU N N 15 121.639 0.114 18 1 . . . . 49 GLU N . 26509 1 482 . 1 1 50 50 SER H H 1 8.333 0.016 22 1 . . . . 50 SER HN . 26509 1 483 . 1 1 50 50 SER HA H 1 4.827 0.014 4 1 . . . . 50 SER HA . 26509 1 484 . 1 1 50 50 SER HB2 H 1 3.718 0.015 4 1 . . . . 50 SER HB# . 26509 1 485 . 1 1 50 50 SER HB3 H 1 3.718 0.015 4 1 . . . . 50 SER HB# . 26509 1 486 . 1 1 50 50 SER C C 13 173.24 0 1 1 . . . . 50 SER C . 26509 1 487 . 1 1 50 50 SER CA C 13 57.679 0.107 6 1 . . . . 50 SER CA . 26509 1 488 . 1 1 50 50 SER CB C 13 65.696 0.586 2 1 . . . . 50 SER CB . 26509 1 489 . 1 1 50 50 SER N N 15 116.091 0.149 21 1 . . . . 50 SER N . 26509 1 490 . 1 1 51 51 LEU H H 1 9.115 0.014 17 1 . . . . 51 LEU HN . 26509 1 491 . 1 1 51 51 LEU HA H 1 4.598 0.01 11 1 . . . . 51 LEU HA . 26509 1 492 . 1 1 51 51 LEU HB2 H 1 1.76 0.012 11 1 . . . . 51 LEU HB2 . 26509 1 493 . 1 1 51 51 LEU HB3 H 1 1.472 0.012 12 1 . . . . 51 LEU HB3 . 26509 1 494 . 1 1 51 51 LEU HG H 1 1.399 0.014 9 1 . . . . 51 LEU HG . 26509 1 495 . 1 1 51 51 LEU HD11 H 1 0.722 0.004 10 1 . . . . 51 LEU HD1# . 26509 1 496 . 1 1 51 51 LEU HD12 H 1 0.722 0.004 10 1 . . . . 51 LEU HD1# . 26509 1 497 . 1 1 51 51 LEU HD13 H 1 0.722 0.004 10 1 . . . . 51 LEU HD1# . 26509 1 498 . 1 1 51 51 LEU HD21 H 1 0.722 0.004 10 1 . . . . 51 LEU HD2# . 26509 1 499 . 1 1 51 51 LEU HD22 H 1 0.722 0.004 10 1 . . . . 51 LEU HD2# . 26509 1 500 . 1 1 51 51 LEU HD23 H 1 0.722 0.004 10 1 . . . . 51 LEU HD2# . 26509 1 501 . 1 1 51 51 LEU CA C 13 53.189 0.071 7 1 . . . . 51 LEU CA . 26509 1 502 . 1 1 51 51 LEU CB C 13 43.105 0.114 15 1 . . . . 51 LEU CB . 26509 1 503 . 1 1 51 51 LEU CG C 13 26.937 0.043 2 1 . . . . 51 LEU CG . 26509 1 504 . 1 1 51 51 LEU CD1 C 13 24.96 0.078 4 1 . . . . 51 LEU CD# . 26509 1 505 . 1 1 51 51 LEU CD2 C 13 24.96 0.078 4 1 . . . . 51 LEU CD# . 26509 1 506 . 1 1 51 51 LEU N N 15 123.913 0.118 14 1 . . . . 51 LEU N . 26509 1 507 . 1 1 52 52 GLY H H 1 8.818 0.015 13 1 . . . . 52 GLY HN . 26509 1 508 . 1 1 52 52 GLY HA2 H 1 3.714 0.008 4 1 . . . . 52 GLY HA2 . 26509 1 509 . 1 1 52 52 GLY HA3 H 1 3.656 0.004 3 1 . . . . 52 GLY HA3 . 26509 1 510 . 1 1 52 52 GLY C C 13 174.02 0 1 1 . . . . 52 GLY C . 26509 1 511 . 1 1 52 52 GLY CA C 13 47.211 0.136 6 1 . . . . 52 GLY CA . 26509 1 512 . 1 1 52 52 GLY N N 15 110.708 0.107 10 1 . . . . 52 GLY N . 26509 1 513 . 1 1 53 53 GLY H H 1 7.999 0.008 18 1 . . . . 53 GLY HN . 26509 1 514 . 1 1 53 53 GLY HA2 H 1 3.983 0.006 6 1 . . . . 53 GLY HA2 . 26509 1 515 . 1 1 53 53 GLY HA3 H 1 3.427 0.012 7 1 . . . . 53 GLY HA3 . 26509 1 516 . 1 1 53 53 GLY C C 13 173.196 0 1 1 . . . . 53 GLY C . 26509 1 517 . 1 1 53 53 GLY CA C 13 44.325 0.164 10 1 . . . . 53 GLY CA . 26509 1 518 . 1 1 53 53 GLY N N 15 104.442 0.058 15 1 . . . . 53 GLY N . 26509 1 519 . 1 1 54 54 PHE H H 1 7.464 0.014 20 1 . . . . 54 PHE HN . 26509 1 520 . 1 1 54 54 PHE HA H 1 4.623 0.003 7 1 . . . . 54 PHE HA . 26509 1 521 . 1 1 54 54 PHE HB2 H 1 3.082 0.009 5 1 . . . . 54 PHE HB2 . 26509 1 522 . 1 1 54 54 PHE HB3 H 1 2.91 0.013 6 1 . . . . 54 PHE HB3 . 26509 1 523 . 1 1 54 54 PHE C C 13 175.087 0 1 1 . . . . 54 PHE C . 26509 1 524 . 1 1 54 54 PHE CA C 13 56.961 0.203 7 1 . . . . 54 PHE CA . 26509 1 525 . 1 1 54 54 PHE CB C 13 41.038 0.088 9 1 . . . . 54 PHE CB . 26509 1 526 . 1 1 54 54 PHE N N 15 119.497 0.055 18 1 . . . . 54 PHE N . 26509 1 527 . 1 1 55 55 SER H H 1 9.328 0.01 26 1 . . . . 55 SER HN . 26509 1 528 . 1 1 55 55 SER HA H 1 4.575 0.014 11 1 . . . . 55 SER HA . 26509 1 529 . 1 1 55 55 SER HB2 H 1 4.193 0.005 10 1 . . . . 55 SER HB2 . 26509 1 530 . 1 1 55 55 SER HB3 H 1 3.974 0.003 10 1 . . . . 55 SER HB3 . 26509 1 531 . 1 1 55 55 SER C C 13 175.916 0 1 1 . . . . 55 SER C . 26509 1 532 . 1 1 55 55 SER CA C 13 57.575 0.107 12 1 . . . . 55 SER CA . 26509 1 533 . 1 1 55 55 SER CB C 13 63.85 0.102 10 1 . . . . 55 SER CB . 26509 1 534 . 1 1 55 55 SER N N 15 119.625 0.091 23 1 . . . . 55 SER N . 26509 1 535 . 1 1 56 56 ILE H H 1 8.858 0.007 26 1 . . . . 56 ILE HN . 26509 1 536 . 1 1 56 56 ILE HA H 1 3.64 0.009 15 1 . . . . 56 ILE HA . 26509 1 537 . 1 1 56 56 ILE HB H 1 1.824 0.01 21 1 . . . . 56 ILE HB . 26509 1 538 . 1 1 56 56 ILE HG12 H 1 1.495 0.01 16 1 . . . . 56 ILE HG12 . 26509 1 539 . 1 1 56 56 ILE HG13 H 1 1.189 0.012 16 1 . . . . 56 ILE HG13 . 26509 1 540 . 1 1 56 56 ILE HG21 H 1 0.915 0.011 11 1 . . . . 56 ILE HG2# . 26509 1 541 . 1 1 56 56 ILE HG22 H 1 0.915 0.011 11 1 . . . . 56 ILE HG2# . 26509 1 542 . 1 1 56 56 ILE HG23 H 1 0.915 0.011 11 1 . . . . 56 ILE HG2# . 26509 1 543 . 1 1 56 56 ILE HD11 H 1 0.887 0.011 10 1 . . . . 56 ILE HD1# . 26509 1 544 . 1 1 56 56 ILE HD12 H 1 0.887 0.011 10 1 . . . . 56 ILE HD1# . 26509 1 545 . 1 1 56 56 ILE HD13 H 1 0.887 0.011 10 1 . . . . 56 ILE HD1# . 26509 1 546 . 1 1 56 56 ILE C C 13 177.184 0.056 3 1 . . . . 56 ILE C . 26509 1 547 . 1 1 56 56 ILE CA C 13 65.241 0.131 12 1 . . . . 56 ILE CA . 26509 1 548 . 1 1 56 56 ILE CB C 13 37.49 0.105 11 1 . . . . 56 ILE CB . 26509 1 549 . 1 1 56 56 ILE CG1 C 13 29.49 0.149 15 1 . . . . 56 ILE CG1 . 26509 1 550 . 1 1 56 56 ILE CG2 C 13 17.671 0.182 7 1 . . . . 56 ILE CG2 . 26509 1 551 . 1 1 56 56 ILE CD1 C 13 13.804 0.058 7 1 . . . . 56 ILE CD1 . 26509 1 552 . 1 1 56 56 ILE N N 15 125.314 0.079 24 1 . . . . 56 ILE N . 26509 1 553 . 1 1 57 57 GLU H H 1 8.676 0.009 37 1 . . . . 57 GLU HN . 26509 1 554 . 1 1 57 57 GLU HA H 1 4.542 1.311 11 1 . . . . 57 GLU HA . 26509 1 555 . 1 1 57 57 GLU HB2 H 1 1.984 0.01 12 1 . . . . 57 GLU HB# . 26509 1 556 . 1 1 57 57 GLU HB3 H 1 1.984 0.01 12 1 . . . . 57 GLU HB# . 26509 1 557 . 1 1 57 57 GLU HG2 H 1 2.309 0.006 9 1 . . . . 57 GLU HG# . 26509 1 558 . 1 1 57 57 GLU HG3 H 1 2.309 0.006 9 1 . . . . 57 GLU HG# . 26509 1 559 . 1 1 57 57 GLU C C 13 179.203 0.021 2 1 . . . . 57 GLU C . 26509 1 560 . 1 1 57 57 GLU CA C 13 59.673 0.101 11 1 . . . . 57 GLU CA . 26509 1 561 . 1 1 57 57 GLU CB C 13 29.076 0.277 7 1 . . . . 57 GLU CB . 26509 1 562 . 1 1 57 57 GLU CG C 13 36.499 0.105 5 1 . . . . 57 GLU CG . 26509 1 563 . 1 1 57 57 GLU N N 15 119.974 0.113 35 1 . . . . 57 GLU N . 26509 1 564 . 1 1 58 58 ASP H H 1 7.555 0.018 34 1 . . . . 58 ASP HN . 26509 1 565 . 1 1 58 58 ASP HA H 1 4.502 0.01 10 1 . . . . 58 ASP HA . 26509 1 566 . 1 1 58 58 ASP HB2 H 1 3.046 0.007 8 1 . . . . 58 ASP HB2 . 26509 1 567 . 1 1 58 58 ASP HB3 H 1 2.755 0.009 10 1 . . . . 58 ASP HB3 . 26509 1 568 . 1 1 58 58 ASP C C 13 179.329 0.014 2 1 . . . . 58 ASP C . 26509 1 569 . 1 1 58 58 ASP CA C 13 57.212 0.082 11 1 . . . . 58 ASP CA . 26509 1 570 . 1 1 58 58 ASP CB C 13 39.662 0.103 10 1 . . . . 58 ASP CB . 26509 1 571 . 1 1 58 58 ASP N N 15 120.84 0.07 31 1 . . . . 58 ASP N . 26509 1 572 . 1 1 59 59 VAL H H 1 8.517 0.011 28 1 . . . . 59 VAL HN . 26509 1 573 . 1 1 59 59 VAL HA H 1 3.535 0.013 10 1 . . . . 59 VAL HA . 26509 1 574 . 1 1 59 59 VAL HB H 1 2.127 0.011 13 1 . . . . 59 VAL HB . 26509 1 575 . 1 1 59 59 VAL HG11 H 1 1.151 0.01 11 1 . . . . 59 VAL HG1# . 26509 1 576 . 1 1 59 59 VAL HG12 H 1 1.151 0.01 11 1 . . . . 59 VAL HG1# . 26509 1 577 . 1 1 59 59 VAL HG13 H 1 1.151 0.01 11 1 . . . . 59 VAL HG1# . 26509 1 578 . 1 1 59 59 VAL HG21 H 1 0.863 0.015 11 1 . . . . 59 VAL HG2# . 26509 1 579 . 1 1 59 59 VAL HG22 H 1 0.863 0.015 11 1 . . . . 59 VAL HG2# . 26509 1 580 . 1 1 59 59 VAL HG23 H 1 0.863 0.015 11 1 . . . . 59 VAL HG2# . 26509 1 581 . 1 1 59 59 VAL C C 13 177.681 0.046 3 1 . . . . 59 VAL C . 26509 1 582 . 1 1 59 59 VAL CA C 13 67.868 0.131 11 1 . . . . 59 VAL CA . 26509 1 583 . 1 1 59 59 VAL CB C 13 31.773 0.119 8 1 . . . . 59 VAL CB . 26509 1 584 . 1 1 59 59 VAL CG1 C 13 25.151 0.047 6 1 . . . . 59 VAL CG1 . 26509 1 585 . 1 1 59 59 VAL CG2 C 13 21.634 0.066 5 1 . . . . 59 VAL CG2 . 26509 1 586 . 1 1 59 59 VAL N N 15 122.796 0.091 25 1 . . . . 59 VAL N . 26509 1 587 . 1 1 60 60 GLN H H 1 8.746 0.012 38 1 . . . . 60 GLN HN . 26509 1 588 . 1 1 60 60 GLN HA H 1 3.937 0.006 17 1 . . . . 60 GLN HA . 26509 1 589 . 1 1 60 60 GLN HB2 H 1 2.223 0.011 22 1 . . . . 60 GLN HB2 . 26509 1 590 . 1 1 60 60 GLN HB3 H 1 1.999 0.011 19 1 . . . . 60 GLN HB3 . 26509 1 591 . 1 1 60 60 GLN HG2 H 1 2.484 0.006 18 1 . . . . 60 GLN HG2 . 26509 1 592 . 1 1 60 60 GLN HG3 H 1 2.229 0.009 17 1 . . . . 60 GLN HG3 . 26509 1 593 . 1 1 60 60 GLN HE21 H 1 7.221 0.009 14 1 . . . . 60 GLN HE21 . 26509 1 594 . 1 1 60 60 GLN HE22 H 1 6.794 0.006 9 1 . . . . 60 GLN HE22 . 26509 1 595 . 1 1 60 60 GLN C C 13 179.101 0.005 2 1 . . . . 60 GLN C . 26509 1 596 . 1 1 60 60 GLN CA C 13 59.909 0.122 12 1 . . . . 60 GLN CA . 26509 1 597 . 1 1 60 60 GLN CB C 13 29.022 0.114 19 1 . . . . 60 GLN CB . 26509 1 598 . 1 1 60 60 GLN CG C 13 34.928 0.153 17 1 . . . . 60 GLN CG . 26509 1 599 . 1 1 60 60 GLN N N 15 117.97 0.084 35 1 . . . . 60 GLN N . 26509 1 600 . 1 1 60 60 GLN NE2 N 15 111.065 0.18 19 1 . . . . 60 GLN NE2 . 26509 1 601 . 1 1 61 61 LYS H H 1 7.894 0.014 32 1 . . . . 61 LYS HN . 26509 1 602 . 1 1 61 61 LYS HA H 1 4.034 0.01 16 1 . . . . 61 LYS HA . 26509 1 603 . 1 1 61 61 LYS HB2 H 1 2.031 0.007 20 1 . . . . 61 LYS HB# . 26509 1 604 . 1 1 61 61 LYS HB3 H 1 2.031 0.007 20 1 . . . . 61 LYS HB# . 26509 1 605 . 1 1 61 61 LYS HG2 H 1 1.692 0.01 18 1 . . . . 61 LYS HG2 . 26509 1 606 . 1 1 61 61 LYS HG3 H 1 1.536 0.011 18 1 . . . . 61 LYS HG3 . 26509 1 607 . 1 1 61 61 LYS HD2 H 1 1.758 0.006 16 1 . . . . 61 LYS HD2 . 26509 1 608 . 1 1 61 61 LYS HD3 H 1 1.696 0.003 7 1 . . . . 61 LYS HD3 . 26509 1 609 . 1 1 61 61 LYS HE2 H 1 2.999 0.004 14 1 . . . . 61 LYS HE# . 26509 1 610 . 1 1 61 61 LYS HE3 H 1 2.999 0.004 14 1 . . . . 61 LYS HE# . 26509 1 611 . 1 1 61 61 LYS C C 13 178.51 0.001 2 1 . . . . 61 LYS C . 26509 1 612 . 1 1 61 61 LYS CA C 13 60.081 0.103 15 1 . . . . 61 LYS CA . 26509 1 613 . 1 1 61 61 LYS CB C 13 32.562 0.111 14 1 . . . . 61 LYS CB . 26509 1 614 . 1 1 61 61 LYS CG C 13 25.469 0.111 22 1 . . . . 61 LYS CG . 26509 1 615 . 1 1 61 61 LYS CD C 13 29.584 0.075 9 1 . . . . 61 LYS CD . 26509 1 616 . 1 1 61 61 LYS CE C 13 41.906 0.078 7 1 . . . . 61 LYS CE . 26509 1 617 . 1 1 61 61 LYS N N 15 120.494 0.085 30 1 . . . . 61 LYS N . 26509 1 618 . 1 1 62 62 GLU H H 1 7.995 0.013 39 1 . . . . 62 GLU HN . 26509 1 619 . 1 1 62 62 GLU HA H 1 5.184 0.011 8 1 . . . . 62 GLU HA . 26509 1 620 . 1 1 62 62 GLU HB3 H 1 2.064 0 1 1 . . . . 62 GLU HB3 . 26509 1 621 . 1 1 62 62 GLU HG2 H 1 2.627 0.017 4 1 . . . . 62 GLU HG2 . 26509 1 622 . 1 1 62 62 GLU HG3 H 1 2.445 0.006 4 1 . . . . 62 GLU HG3 . 26509 1 623 . 1 1 62 62 GLU C C 13 178.944 0.012 2 1 . . . . 62 GLU C . 26509 1 624 . 1 1 62 62 GLU CA C 13 57.682 0.124 8 1 . . . . 62 GLU CA . 26509 1 625 . 1 1 62 62 GLU CB C 13 29.926 0.045 6 1 . . . . 62 GLU CB . 26509 1 626 . 1 1 62 62 GLU CG C 13 34.636 0.195 4 1 . . . . 62 GLU CG . 26509 1 627 . 1 1 62 62 GLU N N 15 124.33 0.078 38 1 . . . . 62 GLU N . 26509 1 628 . 1 1 63 63 ILE H H 1 8.83 0.008 25 1 . . . . 63 ILE HN . 26509 1 629 . 1 1 63 63 ILE HA H 1 3.19 0.01 12 1 . . . . 63 ILE HA . 26509 1 630 . 1 1 63 63 ILE HB H 1 1.632 0.017 16 1 . . . . 63 ILE HB . 26509 1 631 . 1 1 63 63 ILE HG12 H 1 1.246 0.005 6 1 . . . . 63 ILE HG12 . 26509 1 632 . 1 1 63 63 ILE HG13 H 1 1.223 0.007 3 1 . . . . 63 ILE HG13 . 26509 1 633 . 1 1 63 63 ILE HG21 H 1 0.629 0.01 11 1 . . . . 63 ILE HG2# . 26509 1 634 . 1 1 63 63 ILE HG22 H 1 0.629 0.01 11 1 . . . . 63 ILE HG2# . 26509 1 635 . 1 1 63 63 ILE HG23 H 1 0.629 0.01 11 1 . . . . 63 ILE HG2# . 26509 1 636 . 1 1 63 63 ILE HD11 H 1 0.495 0.01 11 1 . . . . 63 ILE HD1# . 26509 1 637 . 1 1 63 63 ILE HD12 H 1 0.495 0.01 11 1 . . . . 63 ILE HD1# . 26509 1 638 . 1 1 63 63 ILE HD13 H 1 0.495 0.01 11 1 . . . . 63 ILE HD1# . 26509 1 639 . 1 1 63 63 ILE C C 13 179.454 0.001 2 1 . . . . 63 ILE C . 26509 1 640 . 1 1 63 63 ILE CA C 13 65.732 0.107 12 1 . . . . 63 ILE CA . 26509 1 641 . 1 1 63 63 ILE CB C 13 37.663 0.096 12 1 . . . . 63 ILE CB . 26509 1 642 . 1 1 63 63 ILE CG1 C 13 29.764 0.189 6 1 . . . . 63 ILE CG1 . 26509 1 643 . 1 1 63 63 ILE CG2 C 13 16.596 0.097 6 1 . . . . 63 ILE CG2 . 26509 1 644 . 1 1 63 63 ILE CD1 C 13 14.457 0.191 6 1 . . . . 63 ILE CD1 . 26509 1 645 . 1 1 63 63 ILE N N 15 122.794 0.104 23 1 . . . . 63 ILE N . 26509 1 646 . 1 1 64 64 LYS H H 1 7.886 0.017 34 1 . . . . 64 LYS HN . 26509 1 647 . 1 1 64 64 LYS HA H 1 4.111 0.008 16 1 . . . . 64 LYS HA . 26509 1 648 . 1 1 64 64 LYS HB2 H 1 1.983 0.008 3 1 . . . . 64 LYS HB2 . 26509 1 649 . 1 1 64 64 LYS HB3 H 1 1.888 0.001 4 1 . . . . 64 LYS HB3 . 26509 1 650 . 1 1 64 64 LYS HG2 H 1 1.481 0 1 1 . . . . 64 LYS HG2 . 26509 1 651 . 1 1 64 64 LYS HG3 H 1 1.415 0.002 2 1 . . . . 64 LYS HG3 . 26509 1 652 . 1 1 64 64 LYS HD2 H 1 1.66 0.005 11 1 . . . . 64 LYS HD# . 26509 1 653 . 1 1 64 64 LYS HD3 H 1 1.66 0.005 11 1 . . . . 64 LYS HD# . 26509 1 654 . 1 1 64 64 LYS HE2 H 1 2.927 0.005 9 1 . . . . 64 LYS HE# . 26509 1 655 . 1 1 64 64 LYS HE3 H 1 2.927 0.005 9 1 . . . . 64 LYS HE# . 26509 1 656 . 1 1 64 64 LYS C C 13 180.253 0.004 2 1 . . . . 64 LYS C . 26509 1 657 . 1 1 64 64 LYS CA C 13 59.459 0.146 14 1 . . . . 64 LYS CA . 26509 1 658 . 1 1 64 64 LYS CB C 13 31.728 0.124 8 1 . . . . 64 LYS CB . 26509 1 659 . 1 1 64 64 LYS CG C 13 25.14 0.092 3 1 . . . . 64 LYS CG . 26509 1 660 . 1 1 64 64 LYS CD C 13 29.324 0.097 8 1 . . . . 64 LYS CD . 26509 1 661 . 1 1 64 64 LYS CE C 13 42.138 0.213 4 1 . . . . 64 LYS CE . 26509 1 662 . 1 1 64 64 LYS N N 15 120.217 0.134 32 1 . . . . 64 LYS N . 26509 1 663 . 1 1 65 65 ARG H H 1 8.491 0.011 38 1 . . . . 65 ARG HN . 26509 1 664 . 1 1 65 65 ARG HA H 1 3.946 0.009 7 1 . . . . 65 ARG HA . 26509 1 665 . 1 1 65 65 ARG HB2 H 1 2.23 0.01 3 1 . . . . 65 ARG HB2 . 26509 1 666 . 1 1 65 65 ARG HB3 H 1 1.844 0.003 3 1 . . . . 65 ARG HB3 . 26509 1 667 . 1 1 65 65 ARG C C 13 179.179 0.023 3 1 . . . . 65 ARG C . 26509 1 668 . 1 1 65 65 ARG CA C 13 60.331 0.08 8 1 . . . . 65 ARG CA . 26509 1 669 . 1 1 65 65 ARG CB C 13 31.146 0.132 4 1 . . . . 65 ARG CB . 26509 1 670 . 1 1 65 65 ARG N N 15 125.686 0.08 36 1 . . . . 65 ARG N . 26509 1 671 . 1 1 66 66 GLY H H 1 8.577 0.005 21 1 . . . . 66 GLY HN . 26509 1 672 . 1 1 66 66 GLY HA2 H 1 3.734 0.012 8 1 . . . . 66 GLY QA . 26509 1 673 . 1 1 66 66 GLY HA3 H 1 3.734 0.012 8 1 . . . . 66 GLY QA . 26509 1 674 . 1 1 66 66 GLY C C 13 175.731 0.002 2 1 . . . . 66 GLY C . 26509 1 675 . 1 1 66 66 GLY CA C 13 47.307 0.161 10 1 . . . . 66 GLY CA . 26509 1 676 . 1 1 66 66 GLY N N 15 103.729 0.054 19 1 . . . . 66 GLY N . 26509 1 677 . 1 1 67 67 THR H H 1 7.782 0.012 23 1 . . . . 67 THR HN . 26509 1 678 . 1 1 67 67 THR HA H 1 4.453 1.099 10 1 . . . . 67 THR HA . 26509 1 679 . 1 1 67 67 THR HB H 1 4.263 0.005 10 1 . . . . 67 THR HB . 26509 1 680 . 1 1 67 67 THR HG21 H 1 1.487 0.009 8 1 . . . . 67 THR HG2# . 26509 1 681 . 1 1 67 67 THR HG22 H 1 1.487 0.009 8 1 . . . . 67 THR HG2# . 26509 1 682 . 1 1 67 67 THR HG23 H 1 1.487 0.009 8 1 . . . . 67 THR HG2# . 26509 1 683 . 1 1 67 67 THR C C 13 174.601 0 1 1 . . . . 67 THR C . 26509 1 684 . 1 1 67 67 THR CA C 13 65.598 0.128 8 1 . . . . 67 THR CA . 26509 1 685 . 1 1 67 67 THR CB C 13 69.829 0.05 7 1 . . . . 67 THR CB . 26509 1 686 . 1 1 67 67 THR CG2 C 13 21.835 0.188 4 1 . . . . 67 THR CG2 . 26509 1 687 . 1 1 67 67 THR N N 15 113.83 0.071 21 1 . . . . 67 THR N . 26509 1 688 . 1 1 68 68 LYS H H 1 6.859 0.011 25 1 . . . . 68 LYS HN . 26509 1 689 . 1 1 68 68 LYS HA H 1 4.473 0.007 17 1 . . . . 68 LYS HA . 26509 1 690 . 1 1 68 68 LYS HB2 H 1 2.103 0.01 13 1 . . . . 68 LYS HB2 . 26509 1 691 . 1 1 68 68 LYS HB3 H 1 1.708 0.011 15 1 . . . . 68 LYS HB3 . 26509 1 692 . 1 1 68 68 LYS HG2 H 1 1.451 0 1 1 . . . . 68 LYS HG2 . 26509 1 693 . 1 1 68 68 LYS HG3 H 1 1.375 0 1 1 . . . . 68 LYS HG3 . 26509 1 694 . 1 1 68 68 LYS HD2 H 1 1.649 0.006 16 1 . . . . 68 LYS HD# . 26509 1 695 . 1 1 68 68 LYS HD3 H 1 1.649 0.006 16 1 . . . . 68 LYS HD# . 26509 1 696 . 1 1 68 68 LYS HE2 H 1 2.951 0.006 12 1 . . . . 68 LYS HE# . 26509 1 697 . 1 1 68 68 LYS HE3 H 1 2.951 0.006 12 1 . . . . 68 LYS HE# . 26509 1 698 . 1 1 68 68 LYS C C 13 175.452 0.005 2 1 . . . . 68 LYS C . 26509 1 699 . 1 1 68 68 LYS CA C 13 54.959 0.07 13 1 . . . . 68 LYS CA . 26509 1 700 . 1 1 68 68 LYS CB C 13 32.902 0.077 18 1 . . . . 68 LYS CB . 26509 1 701 . 1 1 68 68 LYS CG C 13 24.771 0.102 9 1 . . . . 68 LYS CG . 26509 1 702 . 1 1 68 68 LYS CD C 13 28.451 0.026 7 1 . . . . 68 LYS CD . 26509 1 703 . 1 1 68 68 LYS CE C 13 41.943 0.102 5 1 . . . . 68 LYS CE . 26509 1 704 . 1 1 68 68 LYS N N 15 116.086 0.089 22 1 . . . . 68 LYS N . 26509 1 705 . 1 1 69 69 LEU H H 1 7.545 0.019 43 1 . . . . 69 LEU HN . 26509 1 706 . 1 1 69 69 LEU HA H 1 4.509 0.008 13 1 . . . . 69 LEU HA . 26509 1 707 . 1 1 69 69 LEU HB2 H 1 1.631 0.011 10 1 . . . . 69 LEU HB2 . 26509 1 708 . 1 1 69 69 LEU HB3 H 1 1.208 0.01 11 1 . . . . 69 LEU HB3 . 26509 1 709 . 1 1 69 69 LEU HG H 1 1.573 0.007 9 1 . . . . 69 LEU HG . 26509 1 710 . 1 1 69 69 LEU HD11 H 1 0.772 0.013 11 1 . . . . 69 LEU HD1# . 26509 1 711 . 1 1 69 69 LEU HD12 H 1 0.772 0.013 11 1 . . . . 69 LEU HD1# . 26509 1 712 . 1 1 69 69 LEU HD13 H 1 0.772 0.013 11 1 . . . . 69 LEU HD1# . 26509 1 713 . 1 1 69 69 LEU HD21 H 1 0.772 0.013 11 1 . . . . 69 LEU HD2# . 26509 1 714 . 1 1 69 69 LEU HD22 H 1 0.772 0.013 11 1 . . . . 69 LEU HD2# . 26509 1 715 . 1 1 69 69 LEU HD23 H 1 0.772 0.013 11 1 . . . . 69 LEU HD2# . 26509 1 716 . 1 1 69 69 LEU C C 13 174.317 0.003 2 1 . . . . 69 LEU C . 26509 1 717 . 1 1 69 69 LEU CA C 13 53.55 0.091 12 1 . . . . 69 LEU CA . 26509 1 718 . 1 1 69 69 LEU CB C 13 42.888 0.131 15 1 . . . . 69 LEU CB . 26509 1 719 . 1 1 69 69 LEU CG C 13 25.936 0.107 3 1 . . . . 69 LEU CG . 26509 1 720 . 1 1 69 69 LEU CD1 C 13 26.464 0.095 4 1 . . . . 69 LEU CD# . 26509 1 721 . 1 1 69 69 LEU CD2 C 13 26.464 0.095 4 1 . . . . 69 LEU CD# . 26509 1 722 . 1 1 69 69 LEU N N 15 123.134 0.082 40 1 . . . . 69 LEU N . 26509 1 723 . 1 1 70 70 MET H H 1 8.326 0.01 29 1 . . . . 70 MET HN . 26509 1 724 . 1 1 70 70 MET HA H 1 4.433 0.009 9 1 . . . . 70 MET HA . 26509 1 725 . 1 1 70 70 MET HB2 H 1 1.917 0.014 9 1 . . . . 70 MET HB2 . 26509 1 726 . 1 1 70 70 MET HB3 H 1 1.378 0.011 10 1 . . . . 70 MET HB3 . 26509 1 727 . 1 1 70 70 MET HG2 H 1 2.717 0.012 11 1 . . . . 70 MET HG2 . 26509 1 728 . 1 1 70 70 MET HG3 H 1 2.391 0.006 11 1 . . . . 70 MET HG3 . 26509 1 729 . 1 1 70 70 MET C C 13 175.632 0.024 2 1 . . . . 70 MET C . 26509 1 730 . 1 1 70 70 MET CA C 13 52.331 0.132 10 1 . . . . 70 MET CA . 26509 1 731 . 1 1 70 70 MET CB C 13 31.808 0.09 7 1 . . . . 70 MET CB . 26509 1 732 . 1 1 70 70 MET CG C 13 33.063 0.072 13 1 . . . . 70 MET CG . 26509 1 733 . 1 1 70 70 MET N N 15 121.605 0.102 27 1 . . . . 70 MET N . 26509 1 734 . 1 1 71 71 CYS H H 1 8.159 0.013 22 1 . . . . 71 CYS HN . 26509 1 735 . 1 1 71 71 CYS HA H 1 3.812 0.009 7 1 . . . . 71 CYS HA . 26509 1 736 . 1 1 71 71 CYS HB2 H 1 2.439 0.014 8 1 . . . . 71 CYS HB# . 26509 1 737 . 1 1 71 71 CYS HB3 H 1 2.439 0.014 8 1 . . . . 71 CYS HB# . 26509 1 738 . 1 1 71 71 CYS HG H 1 1.664 0 1 1 . . . . 71 CYS HG . 26509 1 739 . 1 1 71 71 CYS C C 13 177.57 0.013 3 1 . . . . 71 CYS C . 26509 1 740 . 1 1 71 71 CYS CA C 13 58.788 0.079 9 1 . . . . 71 CYS CA . 26509 1 741 . 1 1 71 71 CYS CB C 13 32.72 0.064 6 1 . . . . 71 CYS CB . 26509 1 742 . 1 1 71 71 CYS N N 15 125.774 0.066 20 1 . . . . 71 CYS N . 26509 1 743 . 1 1 72 72 SER H H 1 9.501 0.01 23 1 . . . . 72 SER HN . 26509 1 744 . 1 1 72 72 SER HA H 1 4.098 0.01 11 1 . . . . 72 SER HA . 26509 1 745 . 1 1 72 72 SER HB2 H 1 3.789 0.012 7 1 . . . . 72 SER HB2 . 26509 1 746 . 1 1 72 72 SER HB3 H 1 3.021 0.017 8 1 . . . . 72 SER HB3 . 26509 1 747 . 1 1 72 72 SER C C 13 172.83 0 1 1 . . . . 72 SER C . 26509 1 748 . 1 1 72 72 SER CA C 13 62.234 0.06 9 1 . . . . 72 SER CA . 26509 1 749 . 1 1 72 72 SER CB C 13 63.209 0.167 7 1 . . . . 72 SER CB . 26509 1 750 . 1 1 72 72 SER N N 15 126.179 0.077 20 1 . . . . 72 SER N . 26509 1 751 . 1 1 73 73 LEU H H 1 8.778 0.011 20 1 . . . . 73 LEU HN . 26509 1 752 . 1 1 73 73 LEU HA H 1 4.625 0.015 13 1 . . . . 73 LEU HA . 26509 1 753 . 1 1 73 73 LEU HB2 H 1 2.068 0.01 9 1 . . . . 73 LEU HB2 . 26509 1 754 . 1 1 73 73 LEU HB3 H 1 1.297 0.012 9 1 . . . . 73 LEU HB3 . 26509 1 755 . 1 1 73 73 LEU HG H 1 1.462 0.011 11 1 . . . . 73 LEU HG . 26509 1 756 . 1 1 73 73 LEU HD11 H 1 1.059 0.008 10 1 . . . . 73 LEU HD1# . 26509 1 757 . 1 1 73 73 LEU HD12 H 1 1.059 0.008 10 1 . . . . 73 LEU HD1# . 26509 1 758 . 1 1 73 73 LEU HD13 H 1 1.059 0.008 10 1 . . . . 73 LEU HD1# . 26509 1 759 . 1 1 73 73 LEU HD21 H 1 0.9 0.009 10 1 . . . . 73 LEU HD2# . 26509 1 760 . 1 1 73 73 LEU HD22 H 1 0.9 0.009 10 1 . . . . 73 LEU HD2# . 26509 1 761 . 1 1 73 73 LEU HD23 H 1 0.9 0.009 10 1 . . . . 73 LEU HD2# . 26509 1 762 . 1 1 73 73 LEU C C 13 176.177 0.003 2 1 . . . . 73 LEU C . 26509 1 763 . 1 1 73 73 LEU CA C 13 56.331 0.109 12 1 . . . . 73 LEU CA . 26509 1 764 . 1 1 73 73 LEU CB C 13 44.456 0.163 13 1 . . . . 73 LEU CB . 26509 1 765 . 1 1 73 73 LEU CG C 13 27.211 0.071 5 1 . . . . 73 LEU CG . 26509 1 766 . 1 1 73 73 LEU CD1 C 13 26.235 0.099 4 1 . . . . 73 LEU CD1 . 26509 1 767 . 1 1 73 73 LEU CD2 C 13 23.181 0.068 3 1 . . . . 73 LEU CD2 . 26509 1 768 . 1 1 73 73 LEU N N 15 120.949 0.095 17 1 . . . . 73 LEU N . 26509 1 769 . 1 1 74 74 CYS H H 1 8.175 0.016 18 1 . . . . 74 CYS HN . 26509 1 770 . 1 1 74 74 CYS HA H 1 4.268 0.012 8 1 . . . . 74 CYS HA . 26509 1 771 . 1 1 74 74 CYS HB2 H 1 3.189 0.013 7 1 . . . . 74 CYS HB2 . 26509 1 772 . 1 1 74 74 CYS HB3 H 1 2.416 0.013 6 1 . . . . 74 CYS HB3 . 26509 1 773 . 1 1 74 74 CYS C C 13 175.977 0 1 1 . . . . 74 CYS C . 26509 1 774 . 1 1 74 74 CYS CA C 13 59.933 0.193 6 1 . . . . 74 CYS CA . 26509 1 775 . 1 1 74 74 CYS CB C 13 31.646 0.06 7 1 . . . . 74 CYS CB . 26509 1 776 . 1 1 74 74 CYS N N 15 115.939 0.21 17 1 . . . . 74 CYS N . 26509 1 777 . 1 1 75 75 HIS H H 1 8.573 0.003 6 1 . . . . 75 HIS HN . 26509 1 778 . 1 1 75 75 HIS HA H 1 3.996 0.001 3 1 . . . . 75 HIS HA . 26509 1 779 . 1 1 75 75 HIS HB2 H 1 2.01 0 1 1 . . . . 75 HIS HB2 . 26509 1 780 . 1 1 75 75 HIS HB3 H 1 1.693 0.001 2 1 . . . . 75 HIS HB3 . 26509 1 781 . 1 1 75 75 HIS CA C 13 56.909 0.009 3 1 . . . . 75 HIS CA . 26509 1 782 . 1 1 75 75 HIS CB C 13 29.669 0.148 3 1 . . . . 75 HIS CB . 26509 1 783 . 1 1 75 75 HIS N N 15 123.105 0.085 5 1 . . . . 75 HIS N . 26509 1 784 . 1 1 76 76 CYS H H 1 8.767 0.011 7 1 . . . . 76 CYS HN . 26509 1 785 . 1 1 76 76 CYS HA H 1 4.314 0.001 4 1 . . . . 76 CYS HA . 26509 1 786 . 1 1 76 76 CYS HB2 H 1 3.149 0.004 2 1 . . . . 76 CYS HB2 . 26509 1 787 . 1 1 76 76 CYS HB3 H 1 2.942 0.001 2 1 . . . . 76 CYS HB3 . 26509 1 788 . 1 1 76 76 CYS CA C 13 57.696 0.109 5 1 . . . . 76 CYS CA . 26509 1 789 . 1 1 76 76 CYS CB C 13 29.676 0 1 1 . . . . 76 CYS CB . 26509 1 790 . 1 1 76 76 CYS N N 15 119.366 0.03 6 1 . . . . 76 CYS N . 26509 1 791 . 1 1 77 77 PRO HA H 1 5.243 0.01 12 1 . . . . 77 PRO HA . 26509 1 792 . 1 1 77 77 PRO HB2 H 1 2.353 0.014 10 1 . . . . 77 PRO HB2 . 26509 1 793 . 1 1 77 77 PRO HB3 H 1 2.131 0.004 7 1 . . . . 77 PRO HB3 . 26509 1 794 . 1 1 77 77 PRO HG2 H 1 2.061 0.007 5 1 . . . . 77 PRO HG2 . 26509 1 795 . 1 1 77 77 PRO HG3 H 1 1.949 0.009 3 1 . . . . 77 PRO HG3 . 26509 1 796 . 1 1 77 77 PRO C C 13 177.493 0 1 1 . . . . 77 PRO C . 26509 1 797 . 1 1 77 77 PRO CA C 13 62.807 0.098 12 1 . . . . 77 PRO CA . 26509 1 798 . 1 1 77 77 PRO CB C 13 32.378 0.094 11 1 . . . . 77 PRO CB . 26509 1 799 . 1 1 77 77 PRO CG C 13 27.987 0.011 3 1 . . . . 77 PRO CG . 26509 1 800 . 1 1 77 77 PRO CD C 13 50.131 0 1 1 . . . . 77 PRO CD . 26509 1 801 . 1 1 78 78 GLY H H 1 8.253 0.009 26 1 . . . . 78 GLY HN . 26509 1 802 . 1 1 78 78 GLY HA2 H 1 5.316 0.009 7 1 . . . . 78 GLY HA2 . 26509 1 803 . 1 1 78 78 GLY HA3 H 1 3.913 0.011 7 1 . . . . 78 GLY HA3 . 26509 1 804 . 1 1 78 78 GLY C C 13 173.525 0.009 2 1 . . . . 78 GLY C . 26509 1 805 . 1 1 78 78 GLY CA C 13 45.27 0.134 11 1 . . . . 78 GLY CA . 26509 1 806 . 1 1 78 78 GLY N N 15 112.192 0.087 24 1 . . . . 78 GLY N . 26509 1 807 . 1 1 79 79 ALA H H 1 7.325 0.014 24 1 . . . . 79 ALA HN . 26509 1 808 . 1 1 79 79 ALA HA H 1 3.669 0.017 6 1 . . . . 79 ALA HA . 26509 1 809 . 1 1 79 79 ALA HB1 H 1 0.444 0.011 7 1 . . . . 79 ALA MB . 26509 1 810 . 1 1 79 79 ALA HB2 H 1 0.444 0.011 7 1 . . . . 79 ALA MB . 26509 1 811 . 1 1 79 79 ALA HB3 H 1 0.444 0.011 7 1 . . . . 79 ALA MB . 26509 1 812 . 1 1 79 79 ALA C C 13 174.888 0.023 3 1 . . . . 79 ALA C . 26509 1 813 . 1 1 79 79 ALA CA C 13 50.282 0.11 8 1 . . . . 79 ALA CA . 26509 1 814 . 1 1 79 79 ALA CB C 13 17.397 0.195 7 1 . . . . 79 ALA CB . 26509 1 815 . 1 1 79 79 ALA N N 15 123.172 0.097 21 1 . . . . 79 ALA N . 26509 1 816 . 1 1 80 80 THR H H 1 7.553 0.011 24 1 . . . . 80 THR HN . 26509 1 817 . 1 1 80 80 THR HA H 1 4.062 0.014 8 1 . . . . 80 THR HA . 26509 1 818 . 1 1 80 80 THR HB H 1 4.721 0.011 7 1 . . . . 80 THR HB . 26509 1 819 . 1 1 80 80 THR HG21 H 1 1.199 0.01 6 1 . . . . 80 THR HG2# . 26509 1 820 . 1 1 80 80 THR HG22 H 1 1.199 0.01 6 1 . . . . 80 THR HG2# . 26509 1 821 . 1 1 80 80 THR HG23 H 1 1.199 0.01 6 1 . . . . 80 THR HG2# . 26509 1 822 . 1 1 80 80 THR C C 13 174.118 0.007 2 1 . . . . 80 THR C . 26509 1 823 . 1 1 80 80 THR CA C 13 62.105 0.053 7 1 . . . . 80 THR CA . 26509 1 824 . 1 1 80 80 THR CB C 13 68.064 0.064 4 1 . . . . 80 THR CB . 26509 1 825 . 1 1 80 80 THR CG2 C 13 23.486 0.115 4 1 . . . . 80 THR CG2 . 26509 1 826 . 1 1 80 80 THR N N 15 110.325 0.077 22 1 . . . . 80 THR N . 26509 1 827 . 1 1 81 81 ILE H H 1 8.232 0.013 25 1 . . . . 81 ILE HN . 26509 1 828 . 1 1 81 81 ILE HA H 1 4.312 0.02 10 1 . . . . 81 ILE HA . 26509 1 829 . 1 1 81 81 ILE HB H 1 1.91 0.009 12 1 . . . . 81 ILE HB . 26509 1 830 . 1 1 81 81 ILE HG12 H 1 1.63 0.015 6 1 . . . . 81 ILE HG1# . 26509 1 831 . 1 1 81 81 ILE HG13 H 1 1.63 0.015 6 1 . . . . 81 ILE HG1# . 26509 1 832 . 1 1 81 81 ILE HG21 H 1 0.795 0.007 11 1 . . . . 81 ILE HG2# . 26509 1 833 . 1 1 81 81 ILE HG22 H 1 0.795 0.007 11 1 . . . . 81 ILE HG2# . 26509 1 834 . 1 1 81 81 ILE HG23 H 1 0.795 0.007 11 1 . . . . 81 ILE HG2# . 26509 1 835 . 1 1 81 81 ILE HD11 H 1 0.839 0.01 9 1 . . . . 81 ILE HD1# . 26509 1 836 . 1 1 81 81 ILE HD12 H 1 0.839 0.01 9 1 . . . . 81 ILE HD1# . 26509 1 837 . 1 1 81 81 ILE HD13 H 1 0.839 0.01 9 1 . . . . 81 ILE HD1# . 26509 1 838 . 1 1 81 81 ILE C C 13 174.47 0.002 2 1 . . . . 81 ILE C . 26509 1 839 . 1 1 81 81 ILE CA C 13 60.882 0.123 10 1 . . . . 81 ILE CA . 26509 1 840 . 1 1 81 81 ILE CB C 13 36.499 0.182 8 1 . . . . 81 ILE CB . 26509 1 841 . 1 1 81 81 ILE CG1 C 13 25.526 0.065 2 1 . . . . 81 ILE CG1 . 26509 1 842 . 1 1 81 81 ILE CG2 C 13 17.26 0.086 6 1 . . . . 81 ILE CG2 . 26509 1 843 . 1 1 81 81 ILE CD1 C 13 15.116 0.033 6 1 . . . . 81 ILE CD1 . 26509 1 844 . 1 1 81 81 ILE N N 15 124.818 0.101 22 1 . . . . 81 ILE N . 26509 1 845 . 1 1 82 82 GLY H H 1 8.464 0.01 30 1 . . . . 82 GLY HN . 26509 1 846 . 1 1 82 82 GLY HA2 H 1 4.638 0.021 7 1 . . . . 82 GLY HA2 . 26509 1 847 . 1 1 82 82 GLY HA3 H 1 3.517 0.017 7 1 . . . . 82 GLY HA3 . 26509 1 848 . 1 1 82 82 GLY C C 13 172.976 0.027 2 1 . . . . 82 GLY C . 26509 1 849 . 1 1 82 82 GLY CA C 13 44.49 0.132 11 1 . . . . 82 GLY CA . 26509 1 850 . 1 1 82 82 GLY N N 15 114.384 0.059 27 1 . . . . 82 GLY N . 26509 1 851 . 1 1 83 83 CYS H H 1 7.421 0.018 26 1 . . . . 83 CYS HN . 26509 1 852 . 1 1 83 83 CYS HA H 1 4.234 0.011 10 1 . . . . 83 CYS HA . 26509 1 853 . 1 1 83 83 CYS HB2 H 1 2.955 0.012 7 1 . . . . 83 CYS HB2 . 26509 1 854 . 1 1 83 83 CYS HB3 H 1 2.89 0.013 4 1 . . . . 83 CYS HB3 . 26509 1 855 . 1 1 83 83 CYS C C 13 176.329 0.013 2 1 . . . . 83 CYS C . 26509 1 856 . 1 1 83 83 CYS CA C 13 60.176 0.086 12 1 . . . . 83 CYS CA . 26509 1 857 . 1 1 83 83 CYS CB C 13 31.293 0.097 7 1 . . . . 83 CYS CB . 26509 1 858 . 1 1 83 83 CYS N N 15 122.545 0.101 23 1 . . . . 83 CYS N . 26509 1 859 . 1 1 84 84 ASP H H 1 8.79 0.011 32 1 . . . . 84 ASP HN . 26509 1 860 . 1 1 84 84 ASP HA H 1 4.307 0.018 12 1 . . . . 84 ASP HA . 26509 1 861 . 1 1 84 84 ASP HB2 H 1 2.349 0.011 10 1 . . . . 84 ASP HB2 . 26509 1 862 . 1 1 84 84 ASP HB3 H 1 2.165 0.013 10 1 . . . . 84 ASP HB3 . 26509 1 863 . 1 1 84 84 ASP C C 13 176.642 0.002 2 1 . . . . 84 ASP C . 26509 1 864 . 1 1 84 84 ASP CA C 13 57.258 0.071 8 1 . . . . 84 ASP CA . 26509 1 865 . 1 1 84 84 ASP CB C 13 43.257 0.104 11 1 . . . . 84 ASP CB . 26509 1 866 . 1 1 84 84 ASP N N 15 128.109 0.105 29 1 . . . . 84 ASP N . 26509 1 867 . 1 1 85 85 VAL H H 1 8.001 0.015 30 1 . . . . 85 VAL HN . 26509 1 868 . 1 1 85 85 VAL HA H 1 3.841 0.011 11 1 . . . . 85 VAL HA . 26509 1 869 . 1 1 85 85 VAL HB H 1 1.776 0.013 13 1 . . . . 85 VAL HB . 26509 1 870 . 1 1 85 85 VAL HG11 H 1 0.904 0.01 11 1 . . . . 85 VAL HG1# . 26509 1 871 . 1 1 85 85 VAL HG12 H 1 0.904 0.01 11 1 . . . . 85 VAL HG1# . 26509 1 872 . 1 1 85 85 VAL HG13 H 1 0.904 0.01 11 1 . . . . 85 VAL HG1# . 26509 1 873 . 1 1 85 85 VAL HG21 H 1 0.457 0.008 11 1 . . . . 85 VAL HG2# . 26509 1 874 . 1 1 85 85 VAL HG22 H 1 0.457 0.008 11 1 . . . . 85 VAL HG2# . 26509 1 875 . 1 1 85 85 VAL HG23 H 1 0.457 0.008 11 1 . . . . 85 VAL HG2# . 26509 1 876 . 1 1 85 85 VAL C C 13 178.229 0 2 1 . . . . 85 VAL C . 26509 1 877 . 1 1 85 85 VAL CA C 13 64.388 0.113 10 1 . . . . 85 VAL CA . 26509 1 878 . 1 1 85 85 VAL CB C 13 30.505 0.237 8 1 . . . . 85 VAL CB . 26509 1 879 . 1 1 85 85 VAL CG1 C 13 22.879 0.14 6 1 . . . . 85 VAL CG1 . 26509 1 880 . 1 1 85 85 VAL CG2 C 13 20.676 0.047 5 1 . . . . 85 VAL CG2 . 26509 1 881 . 1 1 85 85 VAL N N 15 119.347 0.103 27 1 . . . . 85 VAL N . 26509 1 882 . 1 1 86 86 LYS H H 1 8.646 0.01 33 1 . . . . 86 LYS HN . 26509 1 883 . 1 1 86 86 LYS HA H 1 4.062 0.007 10 1 . . . . 86 LYS HA . 26509 1 884 . 1 1 86 86 LYS HB2 H 1 1.883 0.011 11 1 . . . . 86 LYS HB# . 26509 1 885 . 1 1 86 86 LYS HB3 H 1 1.883 0.011 11 1 . . . . 86 LYS HB# . 26509 1 886 . 1 1 86 86 LYS HG2 H 1 1.591 0.014 14 1 . . . . 86 LYS HG# . 26509 1 887 . 1 1 86 86 LYS HG3 H 1 1.591 0.014 14 1 . . . . 86 LYS HG# . 26509 1 888 . 1 1 86 86 LYS HD2 H 1 1.687 0.007 7 1 . . . . 86 LYS HD# . 26509 1 889 . 1 1 86 86 LYS HD3 H 1 1.687 0.007 7 1 . . . . 86 LYS HD# . 26509 1 890 . 1 1 86 86 LYS HE2 H 1 3.034 0.003 8 1 . . . . 86 LYS HE# . 26509 1 891 . 1 1 86 86 LYS HE3 H 1 3.034 0.003 8 1 . . . . 86 LYS HE# . 26509 1 892 . 1 1 86 86 LYS C C 13 177.855 0 1 1 . . . . 86 LYS C . 26509 1 893 . 1 1 86 86 LYS CA C 13 58.654 0.08 11 1 . . . . 86 LYS CA . 26509 1 894 . 1 1 86 86 LYS CB C 13 31.789 0.06 8 1 . . . . 86 LYS CB . 26509 1 895 . 1 1 86 86 LYS CG C 13 24.85 0.138 7 1 . . . . 86 LYS CG . 26509 1 896 . 1 1 86 86 LYS CD C 13 28.642 0.051 4 1 . . . . 86 LYS CD . 26509 1 897 . 1 1 86 86 LYS CE C 13 42.402 0.003 4 1 . . . . 86 LYS CE . 26509 1 898 . 1 1 86 86 LYS N N 15 127.919 0.107 31 1 . . . . 86 LYS N . 26509 1 899 . 1 1 87 87 THR H H 1 7.075 0.01 28 1 . . . . 87 THR HN . 26509 1 900 . 1 1 87 87 THR HA H 1 4.15 0.009 10 1 . . . . 87 THR HA . 26509 1 901 . 1 1 87 87 THR HB H 1 4.469 0.003 10 1 . . . . 87 THR HB . 26509 1 902 . 1 1 87 87 THR HG21 H 1 1.16 0.01 9 1 . . . . 87 THR HG2# . 26509 1 903 . 1 1 87 87 THR HG22 H 1 1.16 0.01 9 1 . . . . 87 THR HG2# . 26509 1 904 . 1 1 87 87 THR HG23 H 1 1.16 0.01 9 1 . . . . 87 THR HG2# . 26509 1 905 . 1 1 87 87 THR C C 13 173.248 0 1 1 . . . . 87 THR C . 26509 1 906 . 1 1 87 87 THR CA C 13 61.045 0.155 9 1 . . . . 87 THR CA . 26509 1 907 . 1 1 87 87 THR CB C 13 68.491 0.083 6 1 . . . . 87 THR CB . 26509 1 908 . 1 1 87 87 THR CG2 C 13 21.77 0.071 5 1 . . . . 87 THR CG2 . 26509 1 909 . 1 1 87 87 THR N N 15 105.21 0.071 25 1 . . . . 87 THR N . 26509 1 910 . 1 1 88 88 CYS H H 1 7.797 0.015 24 1 . . . . 88 CYS HN . 26509 1 911 . 1 1 88 88 CYS C C 13 175.427 0 1 1 . . . . 88 CYS C . 26509 1 912 . 1 1 88 88 CYS CA C 13 60.061 0.137 2 1 . . . . 88 CYS CA . 26509 1 913 . 1 1 88 88 CYS CB C 13 31.977 0 1 1 . . . . 88 CYS CB . 26509 1 914 . 1 1 88 88 CYS N N 15 126.005 0.077 22 1 . . . . 88 CYS N . 26509 1 915 . 1 1 89 89 HIS HA H 1 4.875 0.007 11 1 . . . . 89 HIS HA . 26509 1 916 . 1 1 89 89 HIS HB2 H 1 3.334 0.01 9 1 . . . . 89 HIS HB2 . 26509 1 917 . 1 1 89 89 HIS HB3 H 1 3.161 0.013 10 1 . . . . 89 HIS HB3 . 26509 1 918 . 1 1 89 89 HIS C C 13 175.244 0 1 1 . . . . 89 HIS C . 26509 1 919 . 1 1 89 89 HIS CA C 13 55.265 0.076 9 1 . . . . 89 HIS CA . 26509 1 920 . 1 1 89 89 HIS CB C 13 29.362 0.113 9 1 . . . . 89 HIS CB . 26509 1 921 . 1 1 90 90 ARG H H 1 8.814 0.007 29 1 . . . . 90 ARG HN . 26509 1 922 . 1 1 90 90 ARG HA H 1 4.208 0.022 7 1 . . . . 90 ARG HA . 26509 1 923 . 1 1 90 90 ARG HB2 H 1 1.549 0.019 6 1 . . . . 90 ARG HB# . 26509 1 924 . 1 1 90 90 ARG HB3 H 1 1.549 0.019 6 1 . . . . 90 ARG HB# . 26509 1 925 . 1 1 90 90 ARG HD2 H 1 3.105 0.016 4 1 . . . . 90 ARG HD# . 26509 1 926 . 1 1 90 90 ARG HD3 H 1 3.105 0.016 4 1 . . . . 90 ARG HD# . 26509 1 927 . 1 1 90 90 ARG C C 13 175.408 0.001 3 1 . . . . 90 ARG C . 26509 1 928 . 1 1 90 90 ARG CA C 13 58.049 0.067 8 1 . . . . 90 ARG CA . 26509 1 929 . 1 1 90 90 ARG CB C 13 30.29 0.341 6 1 . . . . 90 ARG CB . 26509 1 930 . 1 1 90 90 ARG CD C 13 42.452 0 1 1 . . . . 90 ARG CD . 26509 1 931 . 1 1 90 90 ARG N N 15 123.841 0.092 27 1 . . . . 90 ARG N . 26509 1 932 . 1 1 91 91 THR H H 1 8.034 0.017 29 1 . . . . 91 THR HN . 26509 1 933 . 1 1 91 91 THR HA H 1 4.962 0.004 6 1 . . . . 91 THR HA . 26509 1 934 . 1 1 91 91 THR HB H 1 3.642 0.016 9 1 . . . . 91 THR HB . 26509 1 935 . 1 1 91 91 THR HG21 H 1 1.018 0.013 8 1 . . . . 91 THR HG2# . 26509 1 936 . 1 1 91 91 THR HG22 H 1 1.018 0.013 8 1 . . . . 91 THR HG2# . 26509 1 937 . 1 1 91 91 THR HG23 H 1 1.018 0.013 8 1 . . . . 91 THR HG2# . 26509 1 938 . 1 1 91 91 THR C C 13 171.673 0 1 1 . . . . 91 THR C . 26509 1 939 . 1 1 91 91 THR CA C 13 60.325 0.113 10 1 . . . . 91 THR CA . 26509 1 940 . 1 1 91 91 THR CB C 13 70.993 0.064 4 1 . . . . 91 THR CB . 26509 1 941 . 1 1 91 91 THR CG2 C 13 20.162 0.239 5 1 . . . . 91 THR CG2 . 26509 1 942 . 1 1 91 91 THR N N 15 119.009 0.152 27 1 . . . . 91 THR N . 26509 1 943 . 1 1 92 92 TYR H H 1 8.786 0.009 23 1 . . . . 92 TYR HN . 26509 1 944 . 1 1 92 92 TYR HA H 1 5.876 0.019 10 1 . . . . 92 TYR HA . 26509 1 945 . 1 1 92 92 TYR HB2 H 1 3.789 0.013 7 1 . . . . 92 TYR HB2 . 26509 1 946 . 1 1 92 92 TYR HB3 H 1 2.154 0.009 7 1 . . . . 92 TYR HB3 . 26509 1 947 . 1 1 92 92 TYR C C 13 177.587 0 1 1 . . . . 92 TYR C . 26509 1 948 . 1 1 92 92 TYR CA C 13 59.3 0.116 7 1 . . . . 92 TYR CA . 26509 1 949 . 1 1 92 92 TYR CB C 13 44.743 0.145 10 1 . . . . 92 TYR CB . 26509 1 950 . 1 1 92 92 TYR N N 15 123.102 0.109 22 1 . . . . 92 TYR N . 26509 1 951 . 1 1 93 93 HIS H H 1 6.847 0.012 9 1 . . . . 93 HIS HN . 26509 1 952 . 1 1 93 93 HIS HA H 1 5.1 0.007 9 1 . . . . 93 HIS HA . 26509 1 953 . 1 1 93 93 HIS HB2 H 1 3.83 0.002 5 1 . . . . 93 HIS HB2 . 26509 1 954 . 1 1 93 93 HIS HB3 H 1 3.656 0.014 6 1 . . . . 93 HIS HB3 . 26509 1 955 . 1 1 93 93 HIS C C 13 177.113 0 1 1 . . . . 93 HIS C . 26509 1 956 . 1 1 93 93 HIS CA C 13 57.293 0.058 7 1 . . . . 93 HIS CA . 26509 1 957 . 1 1 93 93 HIS CB C 13 32.153 0.105 7 1 . . . . 93 HIS CB . 26509 1 958 . 1 1 93 93 HIS N N 15 115.914 0.063 8 1 . . . . 93 HIS N . 26509 1 959 . 1 1 94 94 TYR H H 1 10.341 0.01 16 1 . . . . 94 TYR HN . 26509 1 960 . 1 1 94 94 TYR HA H 1 3.422 0.012 10 1 . . . . 94 TYR HA . 26509 1 961 . 1 1 94 94 TYR HB2 H 1 3.033 0.009 7 1 . . . . 94 TYR HB2 . 26509 1 962 . 1 1 94 94 TYR HB3 H 1 2.729 0.008 7 1 . . . . 94 TYR HB3 . 26509 1 963 . 1 1 94 94 TYR C C 13 175.894 0 1 1 . . . . 94 TYR C . 26509 1 964 . 1 1 94 94 TYR CA C 13 64.908 0.052 9 1 . . . . 94 TYR CA . 26509 1 965 . 1 1 94 94 TYR CB C 13 38.477 0.155 10 1 . . . . 94 TYR CB . 26509 1 966 . 1 1 94 94 TYR N N 15 127.806 0.059 16 1 . . . . 94 TYR N . 26509 1 967 . 1 1 95 95 HIS H H 1 9.317 0.013 18 1 . . . . 95 HIS HN . 26509 1 968 . 1 1 95 95 HIS C C 13 177.115 0 1 1 . . . . 95 HIS C . 26509 1 969 . 1 1 95 95 HIS CA C 13 58.585 0.091 3 1 . . . . 95 HIS CA . 26509 1 970 . 1 1 95 95 HIS CB C 13 29.006 0.004 2 1 . . . . 95 HIS CB . 26509 1 971 . 1 1 95 95 HIS N N 15 115.436 0.118 15 1 . . . . 95 HIS N . 26509 1 972 . 1 1 96 96 CYS H H 1 6.303 0.009 10 1 . . . . 96 CYS HN . 26509 1 973 . 1 1 96 96 CYS HA H 1 3.702 0.016 8 1 . . . . 96 CYS HA . 26509 1 974 . 1 1 96 96 CYS HB2 H 1 3.002 0.012 7 1 . . . . 96 CYS HB# . 26509 1 975 . 1 1 96 96 CYS HB3 H 1 3.002 0.012 7 1 . . . . 96 CYS HB# . 26509 1 976 . 1 1 96 96 CYS C C 13 175.855 0 1 1 . . . . 96 CYS C . 26509 1 977 . 1 1 96 96 CYS CA C 13 62.763 0.067 4 1 . . . . 96 CYS CA . 26509 1 978 . 1 1 96 96 CYS CB C 13 30.587 0.288 5 1 . . . . 96 CYS CB . 26509 1 979 . 1 1 96 96 CYS N N 15 119.955 0.037 7 1 . . . . 96 CYS N . 26509 1 980 . 1 1 97 97 ALA H H 1 8.033 0.013 24 1 . . . . 97 ALA HN . 26509 1 981 . 1 1 97 97 ALA HA H 1 2.429 0.012 6 1 . . . . 97 ALA HA . 26509 1 982 . 1 1 97 97 ALA HB1 H 1 0.558 0.011 7 1 . . . . 97 ALA MB . 26509 1 983 . 1 1 97 97 ALA HB2 H 1 0.558 0.011 7 1 . . . . 97 ALA MB . 26509 1 984 . 1 1 97 97 ALA HB3 H 1 0.558 0.011 7 1 . . . . 97 ALA MB . 26509 1 985 . 1 1 97 97 ALA C C 13 178.75 0 1 1 . . . . 97 ALA C . 26509 1 986 . 1 1 97 97 ALA CA C 13 54.683 0.06 6 1 . . . . 97 ALA CA . 26509 1 987 . 1 1 97 97 ALA CB C 13 15.097 0.051 6 1 . . . . 97 ALA CB . 26509 1 988 . 1 1 97 97 ALA N N 15 122.038 0.105 22 1 . . . . 97 ALA N . 26509 1 989 . 1 1 98 98 LEU H H 1 6.883 0.009 21 1 . . . . 98 LEU HN . 26509 1 990 . 1 1 98 98 LEU HA H 1 3.667 0.013 17 1 . . . . 98 LEU HA . 26509 1 991 . 1 1 98 98 LEU HB2 H 1 1.503 0.013 19 1 . . . . 98 LEU HB2 . 26509 1 992 . 1 1 98 98 LEU HB3 H 1 1.282 0.014 17 1 . . . . 98 LEU HB3 . 26509 1 993 . 1 1 98 98 LEU HG H 1 1.138 0.011 11 1 . . . . 98 LEU HG . 26509 1 994 . 1 1 98 98 LEU HD11 H 1 0.587 0.012 12 1 . . . . 98 LEU HD1# . 26509 1 995 . 1 1 98 98 LEU HD12 H 1 0.587 0.012 12 1 . . . . 98 LEU HD1# . 26509 1 996 . 1 1 98 98 LEU HD13 H 1 0.587 0.012 12 1 . . . . 98 LEU HD1# . 26509 1 997 . 1 1 98 98 LEU HD21 H 1 0.5 0.003 11 1 . . . . 98 LEU HD2# . 26509 1 998 . 1 1 98 98 LEU HD22 H 1 0.5 0.003 11 1 . . . . 98 LEU HD2# . 26509 1 999 . 1 1 98 98 LEU HD23 H 1 0.5 0.003 11 1 . . . . 98 LEU HD2# . 26509 1 1000 . 1 1 98 98 LEU C C 13 181.486 0 1 1 . . . . 98 LEU C . 26509 1 1001 . 1 1 98 98 LEU CA C 13 57.374 0.109 12 1 . . . . 98 LEU CA . 26509 1 1002 . 1 1 98 98 LEU CB C 13 41.063 0.084 20 1 . . . . 98 LEU CB . 26509 1 1003 . 1 1 98 98 LEU CD1 C 13 25.061 0.073 8 1 . . . . 98 LEU CD1 . 26509 1 1004 . 1 1 98 98 LEU CD2 C 13 22.612 0.064 6 1 . . . . 98 LEU CD2 . 26509 1 1005 . 1 1 98 98 LEU N N 15 115.608 0.13 19 1 . . . . 98 LEU N . 26509 1 1006 . 1 1 99 99 HIS H H 1 7.952 0.023 32 1 . . . . 99 HIS HN . 26509 1 1007 . 1 1 99 99 HIS HA H 1 4.309 0.004 10 1 . . . . 99 HIS HA . 26509 1 1008 . 1 1 99 99 HIS HB2 H 1 3.132 0.031 11 1 . . . . 99 HIS HB2 . 26509 1 1009 . 1 1 99 99 HIS HB3 H 1 2.937 0.015 12 1 . . . . 99 HIS HB3 . 26509 1 1010 . 1 1 99 99 HIS C C 13 174.41 0.057 2 1 . . . . 99 HIS C . 26509 1 1011 . 1 1 99 99 HIS CA C 13 58.047 0.13 7 1 . . . . 99 HIS CA . 26509 1 1012 . 1 1 99 99 HIS CB C 13 29.834 0.066 11 1 . . . . 99 HIS CB . 26509 1 1013 . 1 1 99 99 HIS N N 15 119.394 0.162 30 1 . . . . 99 HIS N . 26509 1 1014 . 1 1 100 100 ASP H H 1 8.037 0.015 15 1 . . . . 100 ASP HN . 26509 1 1015 . 1 1 100 100 ASP HA H 1 5.065 0.009 11 1 . . . . 100 ASP HA . 26509 1 1016 . 1 1 100 100 ASP HB2 H 1 2.471 0.001 5 1 . . . . 100 ASP HB2 . 26509 1 1017 . 1 1 100 100 ASP HB3 H 1 2.374 0.013 5 1 . . . . 100 ASP HB3 . 26509 1 1018 . 1 1 100 100 ASP C C 13 175.384 0 1 1 . . . . 100 ASP C . 26509 1 1019 . 1 1 100 100 ASP CA C 13 53.103 0.079 10 1 . . . . 100 ASP CA . 26509 1 1020 . 1 1 100 100 ASP CB C 13 42.248 0.081 5 1 . . . . 100 ASP CB . 26509 1 1021 . 1 1 100 100 ASP N N 15 118.869 0.109 14 1 . . . . 100 ASP N . 26509 1 1022 . 1 1 101 101 LYS H H 1 7.591 0.012 23 1 . . . . 101 LYS HN . 26509 1 1023 . 1 1 101 101 LYS HA H 1 3.804 0.008 16 1 . . . . 101 LYS HA . 26509 1 1024 . 1 1 101 101 LYS HB2 H 1 1.93 0.007 15 1 . . . . 101 LYS HB2 . 26509 1 1025 . 1 1 101 101 LYS HB3 H 1 1.748 0.006 13 1 . . . . 101 LYS HB3 . 26509 1 1026 . 1 1 101 101 LYS HG2 H 1 1.342 0.003 5 1 . . . . 101 LYS HG2 . 26509 1 1027 . 1 1 101 101 LYS HG3 H 1 1.239 0.002 4 1 . . . . 101 LYS HG3 . 26509 1 1028 . 1 1 101 101 LYS HD2 H 1 1.565 0.01 6 1 . . . . 101 LYS HD# . 26509 1 1029 . 1 1 101 101 LYS HD3 H 1 1.565 0.01 6 1 . . . . 101 LYS HD# . 26509 1 1030 . 1 1 101 101 LYS HE2 H 1 2.953 0.003 9 1 . . . . 101 LYS HE# . 26509 1 1031 . 1 1 101 101 LYS HE3 H 1 2.953 0.003 9 1 . . . . 101 LYS HE# . 26509 1 1032 . 1 1 101 101 LYS C C 13 174.987 0.01 2 1 . . . . 101 LYS C . 26509 1 1033 . 1 1 101 101 LYS CA C 13 56.587 0.1 14 1 . . . . 101 LYS CA . 26509 1 1034 . 1 1 101 101 LYS CB C 13 28.318 0.145 18 1 . . . . 101 LYS CB . 26509 1 1035 . 1 1 101 101 LYS CG C 13 24.98 0.067 8 1 . . . . 101 LYS CG . 26509 1 1036 . 1 1 101 101 LYS CE C 13 42.033 0.033 4 1 . . . . 101 LYS CE . 26509 1 1037 . 1 1 101 101 LYS N N 15 111.396 0.09 22 1 . . . . 101 LYS N . 26509 1 1038 . 1 1 102 102 ALA H H 1 7.621 0.021 36 1 . . . . 102 ALA HN . 26509 1 1039 . 1 1 102 102 ALA HA H 1 4.102 0.007 8 1 . . . . 102 ALA HA . 26509 1 1040 . 1 1 102 102 ALA HB1 H 1 0.759 0.013 8 1 . . . . 102 ALA MB . 26509 1 1041 . 1 1 102 102 ALA HB2 H 1 0.759 0.013 8 1 . . . . 102 ALA MB . 26509 1 1042 . 1 1 102 102 ALA HB3 H 1 0.759 0.013 8 1 . . . . 102 ALA MB . 26509 1 1043 . 1 1 102 102 ALA C C 13 176.528 0.01 3 1 . . . . 102 ALA C . 26509 1 1044 . 1 1 102 102 ALA CA C 13 52.264 0.083 10 1 . . . . 102 ALA CA . 26509 1 1045 . 1 1 102 102 ALA CB C 13 19.275 0.058 7 1 . . . . 102 ALA CB . 26509 1 1046 . 1 1 102 102 ALA N N 15 118.385 0.081 34 1 . . . . 102 ALA N . 26509 1 1047 . 1 1 103 103 GLN H H 1 9.288 0.009 31 1 . . . . 103 GLN HN . 26509 1 1048 . 1 1 103 103 GLN HA H 1 4.475 0.009 9 1 . . . . 103 GLN HA . 26509 1 1049 . 1 1 103 103 GLN HB2 H 1 1.947 0.001 3 1 . . . . 103 GLN HB2 . 26509 1 1050 . 1 1 103 103 GLN HB3 H 1 1.84 0.015 5 1 . . . . 103 GLN HB3 . 26509 1 1051 . 1 1 103 103 GLN HG2 H 1 2.505 0 2 1 . . . . 103 GLN HG2 . 26509 1 1052 . 1 1 103 103 GLN HG3 H 1 2.433 0.005 3 1 . . . . 103 GLN HG3 . 26509 1 1053 . 1 1 103 103 GLN C C 13 173.69 0.004 2 1 . . . . 103 GLN C . 26509 1 1054 . 1 1 103 103 GLN CA C 13 54.518 0.107 11 1 . . . . 103 GLN CA . 26509 1 1055 . 1 1 103 103 GLN CB C 13 32.706 0.108 9 1 . . . . 103 GLN CB . 26509 1 1056 . 1 1 103 103 GLN CG C 13 34.337 0.089 6 1 . . . . 103 GLN CG . 26509 1 1057 . 1 1 103 103 GLN N N 15 121.371 0.091 29 1 . . . . 103 GLN N . 26509 1 1058 . 1 1 104 104 ILE H H 1 8.569 0.01 34 1 . . . . 104 ILE HN . 26509 1 1059 . 1 1 104 104 ILE HA H 1 4.465 0.015 16 1 . . . . 104 ILE HA . 26509 1 1060 . 1 1 104 104 ILE HB H 1 1.799 0.01 21 1 . . . . 104 ILE HB . 26509 1 1061 . 1 1 104 104 ILE HG12 H 1 1.107 0.01 17 1 . . . . 104 ILE HG12 . 26509 1 1062 . 1 1 104 104 ILE HG13 H 1 0.989 0.009 16 1 . . . . 104 ILE HG13 . 26509 1 1063 . 1 1 104 104 ILE HG21 H 1 0.807 0.008 15 1 . . . . 104 ILE HG2# . 26509 1 1064 . 1 1 104 104 ILE HG22 H 1 0.807 0.008 15 1 . . . . 104 ILE HG2# . 26509 1 1065 . 1 1 104 104 ILE HG23 H 1 0.807 0.008 15 1 . . . . 104 ILE HG2# . 26509 1 1066 . 1 1 104 104 ILE HD11 H 1 0.234 0.011 19 1 . . . . 104 ILE HD1# . 26509 1 1067 . 1 1 104 104 ILE HD12 H 1 0.234 0.011 19 1 . . . . 104 ILE HD1# . 26509 1 1068 . 1 1 104 104 ILE HD13 H 1 0.234 0.011 19 1 . . . . 104 ILE HD1# . 26509 1 1069 . 1 1 104 104 ILE C C 13 176.031 0.001 2 1 . . . . 104 ILE C . 26509 1 1070 . 1 1 104 104 ILE CA C 13 59.956 0.052 13 1 . . . . 104 ILE CA . 26509 1 1071 . 1 1 104 104 ILE CB C 13 38.02 0.1 13 1 . . . . 104 ILE CB . 26509 1 1072 . 1 1 104 104 ILE CG1 C 13 27.72 0.06 18 1 . . . . 104 ILE CG1 . 26509 1 1073 . 1 1 104 104 ILE CG2 C 13 19.147 0.085 8 1 . . . . 104 ILE CG2 . 26509 1 1074 . 1 1 104 104 ILE CD1 C 13 11.845 0.037 9 1 . . . . 104 ILE CD1 . 26509 1 1075 . 1 1 104 104 ILE N N 15 128.146 0.06 31 1 . . . . 104 ILE N . 26509 1 1076 . 1 1 105 105 ARG H H 1 9.34 0.008 43 1 . . . . 105 ARG HN . 26509 1 1077 . 1 1 105 105 ARG HA H 1 4.701 0.007 14 1 . . . . 105 ARG HA . 26509 1 1078 . 1 1 105 105 ARG HB2 H 1 1.709 0.01 8 1 . . . . 105 ARG HB2 . 26509 1 1079 . 1 1 105 105 ARG HB3 H 1 1.655 0.006 9 1 . . . . 105 ARG HB3 . 26509 1 1080 . 1 1 105 105 ARG HG2 H 1 1.579 0.007 12 1 . . . . 105 ARG HG2 . 26509 1 1081 . 1 1 105 105 ARG HG3 H 1 1.406 0.009 11 1 . . . . 105 ARG HG3 . 26509 1 1082 . 1 1 105 105 ARG HD2 H 1 3.139 0.006 16 1 . . . . 105 ARG HD# . 26509 1 1083 . 1 1 105 105 ARG HD3 H 1 3.139 0.006 16 1 . . . . 105 ARG HD# . 26509 1 1084 . 1 1 105 105 ARG C C 13 172.753 0.007 3 1 . . . . 105 ARG C . 26509 1 1085 . 1 1 105 105 ARG CA C 13 54.955 0.075 14 1 . . . . 105 ARG CA . 26509 1 1086 . 1 1 105 105 ARG CB C 13 32.211 0.075 11 1 . . . . 105 ARG CB . 26509 1 1087 . 1 1 105 105 ARG CG C 13 27.042 0.075 9 1 . . . . 105 ARG CG . 26509 1 1088 . 1 1 105 105 ARG CD C 13 43.526 0.051 9 1 . . . . 105 ARG CD . 26509 1 1089 . 1 1 105 105 ARG N N 15 129.913 0.086 40 1 . . . . 105 ARG N . 26509 1 1090 . 1 1 106 106 GLU H H 1 8.729 0.008 36 1 . . . . 106 GLU HN . 26509 1 1091 . 1 1 106 106 GLU HA H 1 4.923 0.006 9 1 . . . . 106 GLU HA . 26509 1 1092 . 1 1 106 106 GLU HB2 H 1 2.112 0.006 4 1 . . . . 106 GLU HB2 . 26509 1 1093 . 1 1 106 106 GLU HB3 H 1 2.008 0.006 6 1 . . . . 106 GLU HB3 . 26509 1 1094 . 1 1 106 106 GLU HG2 H 1 2.319 0 1 1 . . . . 106 GLU HG2 . 26509 1 1095 . 1 1 106 106 GLU HG3 H 1 2.223 0 1 1 . . . . 106 GLU HG3 . 26509 1 1096 . 1 1 106 106 GLU C C 13 175.274 0.003 3 1 . . . . 106 GLU C . 26509 1 1097 . 1 1 106 106 GLU CA C 13 54.337 0.14 7 1 . . . . 106 GLU CA . 26509 1 1098 . 1 1 106 106 GLU CB C 13 32.995 0.186 6 1 . . . . 106 GLU CB . 26509 1 1099 . 1 1 106 106 GLU CG C 13 36.158 0.074 6 1 . . . . 106 GLU CG . 26509 1 1100 . 1 1 106 106 GLU N N 15 124.18 0.08 34 1 . . . . 106 GLU N . 26509 1 1101 . 1 1 107 107 LYS H H 1 8.854 0.008 29 1 . . . . 107 LYS HN . 26509 1 1102 . 1 1 107 107 LYS HA H 1 4.737 0.004 6 1 . . . . 107 LYS HA . 26509 1 1103 . 1 1 107 107 LYS HB2 H 1 1.756 0.011 4 1 . . . . 107 LYS HB2 . 26509 1 1104 . 1 1 107 107 LYS HB3 H 1 1.609 0.008 4 1 . . . . 107 LYS HB3 . 26509 1 1105 . 1 1 107 107 LYS HG2 H 1 1.221 0 1 1 . . . . 107 LYS HG# . 26509 1 1106 . 1 1 107 107 LYS HG3 H 1 1.221 0 1 1 . . . . 107 LYS HG# . 26509 1 1107 . 1 1 107 107 LYS C C 13 174.32 0 1 1 . . . . 107 LYS C . 26509 1 1108 . 1 1 107 107 LYS CA C 13 52.706 0.043 7 1 . . . . 107 LYS CA . 26509 1 1109 . 1 1 107 107 LYS CB C 13 32.866 0.033 2 1 . . . . 107 LYS CB . 26509 1 1110 . 1 1 107 107 LYS N N 15 123.465 0.069 27 1 . . . . 107 LYS N . 26509 1 1111 . 1 1 109 109 SER HA H 1 4.205 0.008 7 1 . . . . 109 SER HA . 26509 1 1112 . 1 1 109 109 SER HB2 H 1 3.918 0.007 5 1 . . . . 109 SER HB# . 26509 1 1113 . 1 1 109 109 SER HB3 H 1 3.918 0.007 5 1 . . . . 109 SER HB# . 26509 1 1114 . 1 1 109 109 SER C C 13 175.062 0 1 1 . . . . 109 SER C . 26509 1 1115 . 1 1 109 109 SER CA C 13 60.965 0.09 7 1 . . . . 109 SER CA . 26509 1 1116 . 1 1 109 109 SER CB C 13 62.123 0.048 3 1 . . . . 109 SER CB . 26509 1 1117 . 1 1 110 110 GLN H H 1 7.292 0.015 23 1 . . . . 110 GLN HN . 26509 1 1118 . 1 1 110 110 GLN HA H 1 4.495 0.006 15 1 . . . . 110 GLN HA . 26509 1 1119 . 1 1 110 110 GLN HB2 H 1 2.298 0.01 15 1 . . . . 110 GLN HB2 . 26509 1 1120 . 1 1 110 110 GLN HB3 H 1 1.585 0.01 17 1 . . . . 110 GLN HB3 . 26509 1 1121 . 1 1 110 110 GLN HG2 H 1 2.331 0.006 10 1 . . . . 110 GLN HG2 . 26509 1 1122 . 1 1 110 110 GLN HG3 H 1 2.23 0.007 6 1 . . . . 110 GLN HG3 . 26509 1 1123 . 1 1 110 110 GLN HE21 H 1 7.531 0.007 6 1 . . . . 110 GLN HE21 . 26509 1 1124 . 1 1 110 110 GLN HE22 H 1 6.856 0.006 6 1 . . . . 110 GLN HE22 . 26509 1 1125 . 1 1 110 110 GLN C C 13 175.541 0.006 2 1 . . . . 110 GLN C . 26509 1 1126 . 1 1 110 110 GLN CA C 13 55.003 0.069 13 1 . . . . 110 GLN CA . 26509 1 1127 . 1 1 110 110 GLN CB C 13 31.064 0.103 17 1 . . . . 110 GLN CB . 26509 1 1128 . 1 1 110 110 GLN CG C 13 34.386 0.049 11 1 . . . . 110 GLN CG . 26509 1 1129 . 1 1 110 110 GLN N N 15 118.038 0.049 21 1 . . . . 110 GLN N . 26509 1 1130 . 1 1 110 110 GLN NE2 N 15 111.913 0.291 12 1 . . . . 110 GLN NE2 . 26509 1 1131 . 1 1 111 111 GLY H H 1 7.816 0.015 32 1 . . . . 111 GLY HN . 26509 1 1132 . 1 1 111 111 GLY HA2 H 1 3.961 0.009 7 1 . . . . 111 GLY HA2 . 26509 1 1133 . 1 1 111 111 GLY HA3 H 1 3.716 0.008 7 1 . . . . 111 GLY HA3 . 26509 1 1134 . 1 1 111 111 GLY C C 13 173.383 0 1 1 . . . . 111 GLY C . 26509 1 1135 . 1 1 111 111 GLY CA C 13 46.596 0.141 9 1 . . . . 111 GLY CA . 26509 1 1136 . 1 1 111 111 GLY N N 15 108.954 0.04 29 1 . . . . 111 GLY N . 26509 1 1137 . 1 1 112 112 ILE H H 1 6.72 0.007 20 1 . . . . 112 ILE HN . 26509 1 1138 . 1 1 112 112 ILE HA H 1 3.964 0.01 15 1 . . . . 112 ILE HA . 26509 1 1139 . 1 1 112 112 ILE HB H 1 1.366 0.016 18 1 . . . . 112 ILE HB . 26509 1 1140 . 1 1 112 112 ILE HG12 H 1 1.331 0.011 10 1 . . . . 112 ILE HG12 . 26509 1 1141 . 1 1 112 112 ILE HG13 H 1 0.914 0.011 14 1 . . . . 112 ILE HG13 . 26509 1 1142 . 1 1 112 112 ILE HG21 H 1 0.689 0.009 11 1 . . . . 112 ILE HG2# . 26509 1 1143 . 1 1 112 112 ILE HG22 H 1 0.689 0.009 11 1 . . . . 112 ILE HG2# . 26509 1 1144 . 1 1 112 112 ILE HG23 H 1 0.689 0.009 11 1 . . . . 112 ILE HG2# . 26509 1 1145 . 1 1 112 112 ILE HD11 H 1 0.732 0.012 12 1 . . . . 112 ILE HD1# . 26509 1 1146 . 1 1 112 112 ILE HD12 H 1 0.732 0.012 12 1 . . . . 112 ILE HD1# . 26509 1 1147 . 1 1 112 112 ILE HD13 H 1 0.732 0.012 12 1 . . . . 112 ILE HD1# . 26509 1 1148 . 1 1 112 112 ILE C C 13 172.474 0.01 2 1 . . . . 112 ILE C . 26509 1 1149 . 1 1 112 112 ILE CA C 13 60.238 0.119 12 1 . . . . 112 ILE CA . 26509 1 1150 . 1 1 112 112 ILE CB C 13 39.499 0.099 11 1 . . . . 112 ILE CB . 26509 1 1151 . 1 1 112 112 ILE CG1 C 13 26.68 0.077 14 1 . . . . 112 ILE CG1 . 26509 1 1152 . 1 1 112 112 ILE CG2 C 13 16.935 0.034 6 1 . . . . 112 ILE CG2 . 26509 1 1153 . 1 1 112 112 ILE CD1 C 13 12.657 0.15 7 1 . . . . 112 ILE CD1 . 26509 1 1154 . 1 1 112 112 ILE N N 15 119.334 0.026 17 1 . . . . 112 ILE N . 26509 1 1155 . 1 1 113 113 TYR H H 1 8.315 0.011 39 1 . . . . 113 TYR HN . 26509 1 1156 . 1 1 113 113 TYR HA H 1 4.513 0.016 11 1 . . . . 113 TYR HA . 26509 1 1157 . 1 1 113 113 TYR HB2 H 1 2.2 0.008 7 1 . . . . 113 TYR HB2 . 26509 1 1158 . 1 1 113 113 TYR HB3 H 1 1.047 0.013 7 1 . . . . 113 TYR HB3 . 26509 1 1159 . 1 1 113 113 TYR C C 13 173.868 0.023 2 1 . . . . 113 TYR C . 26509 1 1160 . 1 1 113 113 TYR CA C 13 57.098 0.101 12 1 . . . . 113 TYR CA . 26509 1 1161 . 1 1 113 113 TYR CB C 13 38.16 0.091 10 1 . . . . 113 TYR CB . 26509 1 1162 . 1 1 113 113 TYR N N 15 127.194 0.085 36 1 . . . . 113 TYR N . 26509 1 1163 . 1 1 114 114 MET H H 1 8.985 0.008 28 1 . . . . 114 MET HN . 26509 1 1164 . 1 1 114 114 MET HA H 1 4.933 0.005 15 1 . . . . 114 MET HA . 26509 1 1165 . 1 1 114 114 MET HB2 H 1 1.983 0.005 7 1 . . . . 114 MET HB2 . 26509 1 1166 . 1 1 114 114 MET HB3 H 1 1.88 0.006 9 1 . . . . 114 MET HB3 . 26509 1 1167 . 1 1 114 114 MET HG2 H 1 2.339 0.007 15 1 . . . . 114 MET HG2 . 26509 1 1168 . 1 1 114 114 MET HG3 H 1 2.183 0.014 15 1 . . . . 114 MET HG3 . 26509 1 1169 . 1 1 114 114 MET C C 13 173.052 0.01 3 1 . . . . 114 MET C . 26509 1 1170 . 1 1 114 114 MET CA C 13 54.665 0.109 14 1 . . . . 114 MET CA . 26509 1 1171 . 1 1 114 114 MET CB C 13 37.395 0.203 12 1 . . . . 114 MET CB . 26509 1 1172 . 1 1 114 114 MET CG C 13 31.232 0.106 16 1 . . . . 114 MET CG . 26509 1 1173 . 1 1 114 114 MET N N 15 121.109 0.095 26 1 . . . . 114 MET N . 26509 1 1174 . 1 1 115 115 VAL H H 1 8.977 0.008 36 1 . . . . 115 VAL HN . 26509 1 1175 . 1 1 115 115 VAL HA H 1 5.046 0.003 12 1 . . . . 115 VAL HA . 26509 1 1176 . 1 1 115 115 VAL HB H 1 1.748 0.017 15 1 . . . . 115 VAL HB . 26509 1 1177 . 1 1 115 115 VAL HG11 H 1 0.668 0.046 11 1 . . . . 115 VAL HG1# . 26509 1 1178 . 1 1 115 115 VAL HG12 H 1 0.668 0.046 11 1 . . . . 115 VAL HG1# . 26509 1 1179 . 1 1 115 115 VAL HG13 H 1 0.668 0.046 11 1 . . . . 115 VAL HG1# . 26509 1 1180 . 1 1 115 115 VAL HG21 H 1 0.519 0.056 11 1 . . . . 115 VAL HG2# . 26509 1 1181 . 1 1 115 115 VAL HG22 H 1 0.519 0.056 11 1 . . . . 115 VAL HG2# . 26509 1 1182 . 1 1 115 115 VAL HG23 H 1 0.519 0.056 11 1 . . . . 115 VAL HG2# . 26509 1 1183 . 1 1 115 115 VAL C C 13 173.594 0.016 2 1 . . . . 115 VAL C . 26509 1 1184 . 1 1 115 115 VAL CA C 13 59.775 0.084 11 1 . . . . 115 VAL CA . 26509 1 1185 . 1 1 115 115 VAL CB C 13 35.231 0.096 9 1 . . . . 115 VAL CB . 26509 1 1186 . 1 1 115 115 VAL CG1 C 13 21.97 0.329 6 1 . . . . 115 VAL CG1 . 26509 1 1187 . 1 1 115 115 VAL CG2 C 13 21.288 0.063 5 1 . . . . 115 VAL CG2 . 26509 1 1188 . 1 1 115 115 VAL N N 15 118.89 0.07 34 1 . . . . 115 VAL N . 26509 1 1189 . 1 1 116 116 TYR H H 1 8.703 0.016 32 1 . . . . 116 TYR HN . 26509 1 1190 . 1 1 116 116 TYR HA H 1 5.604 0.016 8 1 . . . . 116 TYR HA . 26509 1 1191 . 1 1 116 116 TYR HB2 H 1 2.84 0 2 1 . . . . 116 TYR HB2 . 26509 1 1192 . 1 1 116 116 TYR HB3 H 1 2.731 0.01 4 1 . . . . 116 TYR HB3 . 26509 1 1193 . 1 1 116 116 TYR C C 13 175.869 0.099 3 1 . . . . 116 TYR C . 26509 1 1194 . 1 1 116 116 TYR CA C 13 55.539 0.095 11 1 . . . . 116 TYR CA . 26509 1 1195 . 1 1 116 116 TYR CB C 13 41.51 0.078 5 1 . . . . 116 TYR CB . 26509 1 1196 . 1 1 116 116 TYR N N 15 121.082 0.092 30 1 . . . . 116 TYR N . 26509 1 1197 . 1 1 117 117 CYS H H 1 10.108 0.022 24 1 . . . . 117 CYS HN . 26509 1 1198 . 1 1 117 117 CYS HA H 1 4.638 0.006 6 1 . . . . 117 CYS HA . 26509 1 1199 . 1 1 117 117 CYS HB2 H 1 3.486 0.024 8 1 . . . . 117 CYS HB# . 26509 1 1200 . 1 1 117 117 CYS HB3 H 1 3.486 0.024 8 1 . . . . 117 CYS HB# . 26509 1 1201 . 1 1 117 117 CYS C C 13 174.829 0.007 2 1 . . . . 117 CYS C . 26509 1 1202 . 1 1 117 117 CYS CA C 13 58.156 0.045 6 1 . . . . 117 CYS CA . 26509 1 1203 . 1 1 117 117 CYS CB C 13 31.374 0.21 6 1 . . . . 117 CYS CB . 26509 1 1204 . 1 1 117 117 CYS N N 15 123.575 0.071 21 1 . . . . 117 CYS N . 26509 1 1205 . 1 1 118 118 ARG H H 1 9.408 0.01 23 1 . . . . 118 ARG HN . 26509 1 1206 . 1 1 118 118 ARG HA H 1 3.869 0.007 10 1 . . . . 118 ARG HA . 26509 1 1207 . 1 1 118 118 ARG HB2 H 1 1.911 0.001 2 1 . . . . 118 ARG HB2 . 26509 1 1208 . 1 1 118 118 ARG HB3 H 1 1.824 0.015 3 1 . . . . 118 ARG HB3 . 26509 1 1209 . 1 1 118 118 ARG HG2 H 1 1.35 0.001 2 1 . . . . 118 ARG HG# . 26509 1 1210 . 1 1 118 118 ARG HG3 H 1 1.35 0.001 2 1 . . . . 118 ARG HG# . 26509 1 1211 . 1 1 118 118 ARG HD2 H 1 3.167 0.031 3 1 . . . . 118 ARG HD# . 26509 1 1212 . 1 1 118 118 ARG HD3 H 1 3.167 0.031 3 1 . . . . 118 ARG HD# . 26509 1 1213 . 1 1 118 118 ARG C C 13 176.906 0.039 2 1 . . . . 118 ARG C . 26509 1 1214 . 1 1 118 118 ARG CA C 13 58.749 0.103 12 1 . . . . 118 ARG CA . 26509 1 1215 . 1 1 118 118 ARG CB C 13 29.392 0.088 6 1 . . . . 118 ARG CB . 26509 1 1216 . 1 1 118 118 ARG CG C 13 29.911 0 1 1 . . . . 118 ARG CG . 26509 1 1217 . 1 1 118 118 ARG CD C 13 43.331 0.111 2 1 . . . . 118 ARG CD . 26509 1 1218 . 1 1 118 118 ARG N N 15 116.297 0.095 20 1 . . . . 118 ARG N . 26509 1 1219 . 1 1 119 119 LYS H H 1 8.26 0.011 35 1 . . . . 119 LYS HN . 26509 1 1220 . 1 1 119 119 LYS HA H 1 4.157 0.006 15 1 . . . . 119 LYS HA . 26509 1 1221 . 1 1 119 119 LYS HB2 H 1 1.329 0.011 20 1 . . . . 119 LYS HB# . 26509 1 1222 . 1 1 119 119 LYS HB3 H 1 1.329 0.011 20 1 . . . . 119 LYS HB# . 26509 1 1223 . 1 1 119 119 LYS HG2 H 1 1.208 0.009 13 1 . . . . 119 LYS HG2 . 26509 1 1224 . 1 1 119 119 LYS HG3 H 1 1.046 0.011 15 1 . . . . 119 LYS HG3 . 26509 1 1225 . 1 1 119 119 LYS HD2 H 1 1.488 0.011 16 1 . . . . 119 LYS HD# . 26509 1 1226 . 1 1 119 119 LYS HD3 H 1 1.488 0.011 16 1 . . . . 119 LYS HD# . 26509 1 1227 . 1 1 119 119 LYS HE2 H 1 2.853 0.008 13 1 . . . . 119 LYS HE# . 26509 1 1228 . 1 1 119 119 LYS HE3 H 1 2.853 0.008 13 1 . . . . 119 LYS HE# . 26509 1 1229 . 1 1 119 119 LYS C C 13 177.358 0.011 2 1 . . . . 119 LYS C . 26509 1 1230 . 1 1 119 119 LYS CA C 13 57.253 0.103 9 1 . . . . 119 LYS CA . 26509 1 1231 . 1 1 119 119 LYS CB C 13 32.372 0.087 12 1 . . . . 119 LYS CB . 26509 1 1232 . 1 1 119 119 LYS CG C 13 24.699 0.08 14 1 . . . . 119 LYS CG . 26509 1 1233 . 1 1 119 119 LYS CD C 13 28.516 0.103 10 1 . . . . 119 LYS CD . 26509 1 1234 . 1 1 119 119 LYS CE C 13 41.693 0.081 7 1 . . . . 119 LYS CE . 26509 1 1235 . 1 1 119 119 LYS N N 15 120.223 0.134 32 1 . . . . 119 LYS N . 26509 1 1236 . 1 1 120 120 HIS H H 1 7.992 0.016 35 1 . . . . 120 HIS HN . 26509 1 1237 . 1 1 120 120 HIS HA H 1 4.761 0.013 8 1 . . . . 120 HIS HA . 26509 1 1238 . 1 1 120 120 HIS HB2 H 1 3.5 0.012 8 1 . . . . 120 HIS HB2 . 26509 1 1239 . 1 1 120 120 HIS HB3 H 1 3 0.02 8 1 . . . . 120 HIS HB3 . 26509 1 1240 . 1 1 120 120 HIS C C 13 174.038 0.036 3 1 . . . . 120 HIS C . 26509 1 1241 . 1 1 120 120 HIS CA C 13 58.376 0.129 11 1 . . . . 120 HIS CA . 26509 1 1242 . 1 1 120 120 HIS CB C 13 32.752 0.109 6 1 . . . . 120 HIS CB . 26509 1 1243 . 1 1 120 120 HIS N N 15 119.94 0.096 33 1 . . . . 120 HIS N . 26509 1 1244 . 1 1 121 121 LYS H H 1 7.661 0.015 27 1 . . . . 121 LYS HN . 26509 1 1245 . 1 1 121 121 LYS HA H 1 4.251 0.004 7 1 . . . . 121 LYS HA . 26509 1 1246 . 1 1 121 121 LYS HB2 H 1 1.779 0.002 6 1 . . . . 121 LYS HB# . 26509 1 1247 . 1 1 121 121 LYS HB3 H 1 1.779 0.002 6 1 . . . . 121 LYS HB# . 26509 1 1248 . 1 1 121 121 LYS HE2 H 1 2.961 0.01 2 1 . . . . 121 LYS HE# . 26509 1 1249 . 1 1 121 121 LYS HE3 H 1 2.961 0.01 2 1 . . . . 121 LYS HE# . 26509 1 1250 . 1 1 121 121 LYS C C 13 176.487 0 1 1 . . . . 121 LYS C . 26509 1 1251 . 1 1 121 121 LYS CA C 13 56.655 0.253 9 1 . . . . 121 LYS CA . 26509 1 1252 . 1 1 121 121 LYS CB C 13 32.855 0.081 6 1 . . . . 121 LYS CB . 26509 1 1253 . 1 1 121 121 LYS N N 15 118.772 0.081 26 1 . . . . 121 LYS N . 26509 1 1254 . 1 1 122 122 LYS H H 1 8.543 0.006 12 1 . . . . 122 LYS HN . 26509 1 1255 . 1 1 122 122 LYS HA H 1 4.359 0.004 18 1 . . . . 122 LYS HA . 26509 1 1256 . 1 1 122 122 LYS HB2 H 1 1.732 0.012 13 1 . . . . 122 LYS HB2 . 26509 1 1257 . 1 1 122 122 LYS HB3 H 1 1.604 0.02 16 1 . . . . 122 LYS HB3 . 26509 1 1258 . 1 1 122 122 LYS HG2 H 1 1.253 0.012 4 1 . . . . 122 LYS HG2 . 26509 1 1259 . 1 1 122 122 LYS HG3 H 1 1.183 0.002 4 1 . . . . 122 LYS HG3 . 26509 1 1260 . 1 1 122 122 LYS HD2 H 1 1.52 0.007 16 1 . . . . 122 LYS HD# . 26509 1 1261 . 1 1 122 122 LYS HD3 H 1 1.52 0.007 16 1 . . . . 122 LYS HD# . 26509 1 1262 . 1 1 122 122 LYS HE2 H 1 2.776 0.014 13 1 . . . . 122 LYS HE# . 26509 1 1263 . 1 1 122 122 LYS HE3 H 1 2.776 0.014 13 1 . . . . 122 LYS HE# . 26509 1 1264 . 1 1 122 122 LYS C C 13 176.855 0.001 2 1 . . . . 122 LYS C . 26509 1 1265 . 1 1 122 122 LYS CA C 13 55.692 0.089 14 1 . . . . 122 LYS CA . 26509 1 1266 . 1 1 122 122 LYS CB C 13 32.987 0.106 17 1 . . . . 122 LYS CB . 26509 1 1267 . 1 1 122 122 LYS CG C 13 24.511 0.088 9 1 . . . . 122 LYS CG . 26509 1 1268 . 1 1 122 122 LYS CD C 13 28.688 0.078 10 1 . . . . 122 LYS CD . 26509 1 1269 . 1 1 122 122 LYS CE C 13 41.992 0.09 7 1 . . . . 122 LYS CE . 26509 1 1270 . 1 1 122 122 LYS N N 15 123.458 0.084 12 1 . . . . 122 LYS N . 26509 1 1271 . 1 1 123 123 THR H H 1 8.087 0.014 42 1 . . . . 123 THR HN . 26509 1 1272 . 1 1 123 123 THR HA H 1 4.238 0.011 8 1 . . . . 123 THR HA . 26509 1 1273 . 1 1 123 123 THR HB H 1 4.167 0.003 9 1 . . . . 123 THR HB . 26509 1 1274 . 1 1 123 123 THR HG21 H 1 1.121 0.007 8 1 . . . . 123 THR HG2# . 26509 1 1275 . 1 1 123 123 THR HG22 H 1 1.121 0.007 8 1 . . . . 123 THR HG2# . 26509 1 1276 . 1 1 123 123 THR HG23 H 1 1.121 0.007 8 1 . . . . 123 THR HG2# . 26509 1 1277 . 1 1 123 123 THR C C 13 174.008 0.004 3 1 . . . . 123 THR C . 26509 1 1278 . 1 1 123 123 THR CA C 13 61.813 0.101 11 1 . . . . 123 THR CA . 26509 1 1279 . 1 1 123 123 THR CB C 13 69.763 0.086 9 1 . . . . 123 THR CB . 26509 1 1280 . 1 1 123 123 THR CG2 C 13 21.719 0.208 4 1 . . . . 123 THR CG2 . 26509 1 1281 . 1 1 123 123 THR N N 15 114.962 0.058 41 1 . . . . 123 THR N . 26509 1 1282 . 1 1 124 124 ALA H H 1 8.202 0.01 28 1 . . . . 124 ALA HN . 26509 1 1283 . 1 1 124 124 ALA HA H 1 4.188 0.01 9 1 . . . . 124 ALA HA . 26509 1 1284 . 1 1 124 124 ALA HB1 H 1 1.214 0.008 8 1 . . . . 124 ALA MB . 26509 1 1285 . 1 1 124 124 ALA HB2 H 1 1.214 0.008 8 1 . . . . 124 ALA MB . 26509 1 1286 . 1 1 124 124 ALA HB3 H 1 1.214 0.008 8 1 . . . . 124 ALA MB . 26509 1 1287 . 1 1 124 124 ALA C C 13 177.204 0.01 3 1 . . . . 124 ALA C . 26509 1 1288 . 1 1 124 124 ALA CA C 13 52.522 0.087 10 1 . . . . 124 ALA CA . 26509 1 1289 . 1 1 124 124 ALA CB C 13 19.236 0.173 7 1 . . . . 124 ALA CB . 26509 1 1290 . 1 1 124 124 ALA N N 15 125.737 0.057 27 1 . . . . 124 ALA N . 26509 1 1291 . 1 1 125 125 HIS H H 1 8.338 0.009 26 1 . . . . 125 HIS HN . 26509 1 1292 . 1 1 125 125 HIS HA H 1 4.599 0.011 7 1 . . . . 125 HIS HA . 26509 1 1293 . 1 1 125 125 HIS HB2 H 1 3.154 0 1 1 . . . . 125 HIS HB2 . 26509 1 1294 . 1 1 125 125 HIS HB3 H 1 3.046 0 1 1 . . . . 125 HIS HB3 . 26509 1 1295 . 1 1 125 125 HIS C C 13 174.564 0.007 3 1 . . . . 125 HIS C . 26509 1 1296 . 1 1 125 125 HIS CA C 13 55.857 0.113 10 1 . . . . 125 HIS CA . 26509 1 1297 . 1 1 125 125 HIS CB C 13 30.047 0.101 7 1 . . . . 125 HIS CB . 26509 1 1298 . 1 1 125 125 HIS N N 15 118.318 0.101 26 1 . . . . 125 HIS N . 26509 1 1299 . 1 1 126 126 ASN H H 1 8.407 0.007 23 1 . . . . 126 ASN HN . 26509 1 1300 . 1 1 126 126 ASN HA H 1 4.713 0.01 11 1 . . . . 126 ASN HA . 26509 1 1301 . 1 1 126 126 ASN HB2 H 1 2.799 0.003 3 1 . . . . 126 ASN HB2 . 26509 1 1302 . 1 1 126 126 ASN HB3 H 1 2.697 0.003 3 1 . . . . 126 ASN HB3 . 26509 1 1303 . 1 1 126 126 ASN HD21 H 1 7.619 0.009 10 1 . . . . 126 ASN HD21 . 26509 1 1304 . 1 1 126 126 ASN HD22 H 1 6.903 0.01 10 1 . . . . 126 ASN HD22 . 26509 1 1305 . 1 1 126 126 ASN C C 13 174.03 0.002 3 1 . . . . 126 ASN C . 26509 1 1306 . 1 1 126 126 ASN CA C 13 53.196 0.077 14 1 . . . . 126 ASN CA . 26509 1 1307 . 1 1 126 126 ASN CB C 13 38.864 0.101 9 1 . . . . 126 ASN CB . 26509 1 1308 . 1 1 126 126 ASN N N 15 120.386 0.061 23 1 . . . . 126 ASN N . 26509 1 1309 . 1 1 126 126 ASN ND2 N 15 112.706 0.291 16 1 . . . . 126 ASN ND2 . 26509 1 1310 . 1 1 127 127 SER H H 1 7.932 0.011 28 1 . . . . 127 SER HN . 26509 1 1311 . 1 1 127 127 SER HA H 1 4.223 0.002 5 1 . . . . 127 SER HA . 26509 1 1312 . 1 1 127 127 SER HB2 H 1 3.814 0.005 5 1 . . . . 127 SER HB# . 26509 1 1313 . 1 1 127 127 SER HB3 H 1 3.814 0.005 5 1 . . . . 127 SER HB# . 26509 1 1314 . 1 1 127 127 SER C C 13 178.42 0 1 1 . . . . 127 SER C . 26509 1 1315 . 1 1 127 127 SER CA C 13 60.05 0.057 4 1 . . . . 127 SER CA . 26509 1 1316 . 1 1 127 127 SER CB C 13 64.69 0.046 3 1 . . . . 127 SER CB . 26509 1 1317 . 1 1 127 127 SER N N 15 121.435 0.061 27 1 . . . . 127 SER N . 26509 1 stop_ save_