data_25803 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25803 _Entry.Title ; UBL domain of the yeast DNA damage-inducible protein homolog 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-09 _Entry.Accession_date 2015-09-09 _Entry.Last_release_date 2016-07-13 _Entry.Original_release_date 2016-07-13 _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 Monika Siva . . . . 25803 2 Klara 'Grantz Saskova' . . . . 25803 3 Vaclav Veverka . . . . 25803 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25803 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DDI1 . 25803 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25803 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 25803 '15N chemical shifts' 89 25803 '1H chemical shifts' 614 25803 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-07-13 . original BMRB . 25803 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25801 'UBL domain of the human DNA damage-inducible protein homolog 2' 25803 PDB 2N7E 'BMRB Entry Tracking System' 25803 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25803 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27009356 _Citation.Full_citation . _Citation.Title ; Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _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 23641 _Citation.Page_last 23641 _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 Martin Klima . . . . 25803 1 2 Daniel Toth . J. . . 25803 1 3 Rozalie Hexnerova . . . . 25803 1 4 Adriana Baumlova . . . . 25803 1 5 Dominika Chalupska . . . . 25803 1 6 Jan Tykvart . . . . 25803 1 7 Lenka Rezabkova . . . . 25803 1 8 Nivedita Sengupta . . . . 25803 1 9 Petr Man . . . . 25803 1 10 Anna Dubankova . . . . 25803 1 11 Jana Humpolickova . . . . 25803 1 12 Radim Nencka . . . . 25803 1 13 Vaclav Veverka . . . . 25803 1 14 Tamas Balla . . . . 25803 1 15 Evzen Boura . . . . 25803 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25803 _Assembly.ID 1 _Assembly.Name 'UBL domain of the yeast DNA damage-inducible protein homolog 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25803 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25803 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HIEGRHMDLTISNELTGEIY GPIEVSEDMALTDLIALLQA DCGFDKTKHDLYYNMDILDS NRTQSLKELGLKTDDLLLIR GKISNS ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9692.008 _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 95 HIS . 25803 1 2 96 ILE . 25803 1 3 97 GLU . 25803 1 4 98 GLY . 25803 1 5 99 ARG . 25803 1 6 100 HIS . 25803 1 7 101 MET . 25803 1 8 102 ASP . 25803 1 9 103 LEU . 25803 1 10 104 THR . 25803 1 11 105 ILE . 25803 1 12 106 SER . 25803 1 13 107 ASN . 25803 1 14 108 GLU . 25803 1 15 109 LEU . 25803 1 16 110 THR . 25803 1 17 111 GLY . 25803 1 18 112 GLU . 25803 1 19 113 ILE . 25803 1 20 114 TYR . 25803 1 21 115 GLY . 25803 1 22 116 PRO . 25803 1 23 117 ILE . 25803 1 24 118 GLU . 25803 1 25 119 VAL . 25803 1 26 120 SER . 25803 1 27 121 GLU . 25803 1 28 122 ASP . 25803 1 29 123 MET . 25803 1 30 124 ALA . 25803 1 31 125 LEU . 25803 1 32 126 THR . 25803 1 33 127 ASP . 25803 1 34 128 LEU . 25803 1 35 129 ILE . 25803 1 36 130 ALA . 25803 1 37 131 LEU . 25803 1 38 132 LEU . 25803 1 39 133 GLN . 25803 1 40 134 ALA . 25803 1 41 135 ASP . 25803 1 42 136 CYS . 25803 1 43 137 GLY . 25803 1 44 138 PHE . 25803 1 45 139 ASP . 25803 1 46 140 LYS . 25803 1 47 141 THR . 25803 1 48 142 LYS . 25803 1 49 143 HIS . 25803 1 50 144 ASP . 25803 1 51 145 LEU . 25803 1 52 146 TYR . 25803 1 53 147 TYR . 25803 1 54 148 ASN . 25803 1 55 149 MET . 25803 1 56 150 ASP . 25803 1 57 151 ILE . 25803 1 58 152 LEU . 25803 1 59 153 ASP . 25803 1 60 154 SER . 25803 1 61 155 ASN . 25803 1 62 156 ARG . 25803 1 63 157 THR . 25803 1 64 158 GLN . 25803 1 65 159 SER . 25803 1 66 160 LEU . 25803 1 67 161 LYS . 25803 1 68 162 GLU . 25803 1 69 163 LEU . 25803 1 70 164 GLY . 25803 1 71 165 LEU . 25803 1 72 166 LYS . 25803 1 73 167 THR . 25803 1 74 168 ASP . 25803 1 75 169 ASP . 25803 1 76 170 LEU . 25803 1 77 171 LEU . 25803 1 78 172 LEU . 25803 1 79 173 ILE . 25803 1 80 174 ARG . 25803 1 81 175 GLY . 25803 1 82 176 LYS . 25803 1 83 177 ILE . 25803 1 84 178 SER . 25803 1 85 179 ASN . 25803 1 86 180 SER . 25803 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . HIS 1 1 25803 1 . ILE 2 2 25803 1 . GLU 3 3 25803 1 . GLY 4 4 25803 1 . ARG 5 5 25803 1 . HIS 6 6 25803 1 . MET 7 7 25803 1 . ASP 8 8 25803 1 . LEU 9 9 25803 1 . THR 10 10 25803 1 . ILE 11 11 25803 1 . SER 12 12 25803 1 . ASN 13 13 25803 1 . GLU 14 14 25803 1 . LEU 15 15 25803 1 . THR 16 16 25803 1 . GLY 17 17 25803 1 . GLU 18 18 25803 1 . ILE 19 19 25803 1 . TYR 20 20 25803 1 . GLY 21 21 25803 1 . PRO 22 22 25803 1 . ILE 23 23 25803 1 . GLU 24 24 25803 1 . VAL 25 25 25803 1 . SER 26 26 25803 1 . GLU 27 27 25803 1 . ASP 28 28 25803 1 . MET 29 29 25803 1 . ALA 30 30 25803 1 . LEU 31 31 25803 1 . THR 32 32 25803 1 . ASP 33 33 25803 1 . LEU 34 34 25803 1 . ILE 35 35 25803 1 . ALA 36 36 25803 1 . LEU 37 37 25803 1 . LEU 38 38 25803 1 . GLN 39 39 25803 1 . ALA 40 40 25803 1 . ASP 41 41 25803 1 . CYS 42 42 25803 1 . GLY 43 43 25803 1 . PHE 44 44 25803 1 . ASP 45 45 25803 1 . LYS 46 46 25803 1 . THR 47 47 25803 1 . LYS 48 48 25803 1 . HIS 49 49 25803 1 . ASP 50 50 25803 1 . LEU 51 51 25803 1 . TYR 52 52 25803 1 . TYR 53 53 25803 1 . ASN 54 54 25803 1 . MET 55 55 25803 1 . ASP 56 56 25803 1 . ILE 57 57 25803 1 . LEU 58 58 25803 1 . ASP 59 59 25803 1 . SER 60 60 25803 1 . ASN 61 61 25803 1 . ARG 62 62 25803 1 . THR 63 63 25803 1 . GLN 64 64 25803 1 . SER 65 65 25803 1 . LEU 66 66 25803 1 . LYS 67 67 25803 1 . GLU 68 68 25803 1 . LEU 69 69 25803 1 . GLY 70 70 25803 1 . LEU 71 71 25803 1 . LYS 72 72 25803 1 . THR 73 73 25803 1 . ASP 74 74 25803 1 . ASP 75 75 25803 1 . LEU 76 76 25803 1 . LEU 77 77 25803 1 . LEU 78 78 25803 1 . ILE 79 79 25803 1 . ARG 80 80 25803 1 . GLY 81 81 25803 1 . LYS 82 82 25803 1 . ILE 83 83 25803 1 . SER 84 84 25803 1 . ASN 85 85 25803 1 . SER 86 86 25803 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 25803 _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 $entity . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 25803 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 25803 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . n/a . . . 25803 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25803 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25803 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25803 1 3 entity '[U-13C; U-15N]' . . 1 $entity . . 0.4 . . mM . . . . 25803 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 25803 _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' 0.1 . M 25803 1 pH 6.5 . pH 25803 1 pressure 1 . atm 25803 1 temperature 298 . K 25803 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25803 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25803 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25803 1 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 25803 _Software.ID 2 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID YASARA . . 25803 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25803 2 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 25803 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25803 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25803 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 25803 _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 . . . . . . . . . . . . . . . . 25803 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25803 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25803 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25803 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25803 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25803 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 25803 _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 . . . . . 25803 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25803 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25803 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 25803 _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' . . . 25803 1 2 '3D HNCACB' . . . 25803 1 3 '3D CBCA(CO)NH' . . . 25803 1 4 '3D HCCH-TOCSY' . . . 25803 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 HIS HA H 1 4.498 0.020 . 1 . . . A 95 HIS HA . 25803 1 2 . 1 1 1 1 HIS HB2 H 1 2.942 0.020 . 2 . . . A 95 HIS HB2 . 25803 1 3 . 1 1 1 1 HIS HB3 H 1 2.942 0.020 . 2 . . . A 95 HIS HB3 . 25803 1 4 . 1 1 2 2 ILE H H 1 7.966 0.020 . 1 . . . A 96 ILE H . 25803 1 5 . 1 1 2 2 ILE HA H 1 4.028 0.020 . 1 . . . A 96 ILE HA . 25803 1 6 . 1 1 2 2 ILE HB H 1 1.658 0.020 . 1 . . . A 96 ILE HB . 25803 1 7 . 1 1 2 2 ILE HG12 H 1 0.990 0.020 . 2 . . . A 96 ILE HG12 . 25803 1 8 . 1 1 2 2 ILE HG13 H 1 1.295 0.020 . 2 . . . A 96 ILE HG13 . 25803 1 9 . 1 1 2 2 ILE HG21 H 1 0.726 0.020 . 1 . . . A 96 ILE HG21 . 25803 1 10 . 1 1 2 2 ILE HG22 H 1 0.726 0.020 . 1 . . . A 96 ILE HG22 . 25803 1 11 . 1 1 2 2 ILE HG23 H 1 0.726 0.020 . 1 . . . A 96 ILE HG23 . 25803 1 12 . 1 1 2 2 ILE HD11 H 1 0.701 0.020 . 1 . . . A 96 ILE HD11 . 25803 1 13 . 1 1 2 2 ILE HD12 H 1 0.701 0.020 . 1 . . . A 96 ILE HD12 . 25803 1 14 . 1 1 2 2 ILE HD13 H 1 0.701 0.020 . 1 . . . A 96 ILE HD13 . 25803 1 15 . 1 1 2 2 ILE C C 13 173.090 0.200 . 1 . . . A 96 ILE C . 25803 1 16 . 1 1 2 2 ILE CA C 13 58.179 0.200 . 1 . . . A 96 ILE CA . 25803 1 17 . 1 1 2 2 ILE CB C 13 35.986 0.200 . 1 . . . A 96 ILE CB . 25803 1 18 . 1 1 2 2 ILE CG1 C 13 24.390 0.200 . 1 . . . A 96 ILE CG1 . 25803 1 19 . 1 1 2 2 ILE CG2 C 13 14.648 0.200 . 1 . . . A 96 ILE CG2 . 25803 1 20 . 1 1 2 2 ILE CD1 C 13 9.979 0.200 . 1 . . . A 96 ILE CD1 . 25803 1 21 . 1 1 2 2 ILE N N 15 123.369 0.200 . 1 . . . A 96 ILE N . 25803 1 22 . 1 1 3 3 GLU H H 1 8.445 0.020 . 1 . . . A 97 GLU H . 25803 1 23 . 1 1 3 3 GLU HA H 1 4.223 0.020 . 1 . . . A 97 GLU HA . 25803 1 24 . 1 1 3 3 GLU HB2 H 1 1.961 0.020 . 2 . . . A 97 GLU HB2 . 25803 1 25 . 1 1 3 3 GLU HB3 H 1 1.861 0.020 . 2 . . . A 97 GLU HB3 . 25803 1 26 . 1 1 3 3 GLU HG2 H 1 2.207 0.020 . 2 . . . A 97 GLU HG2 . 25803 1 27 . 1 1 3 3 GLU HG3 H 1 2.207 0.020 . 2 . . . A 97 GLU HG3 . 25803 1 28 . 1 1 3 3 GLU C C 13 173.962 0.200 . 1 . . . A 97 GLU C . 25803 1 29 . 1 1 3 3 GLU CA C 13 53.771 0.200 . 1 . . . A 97 GLU CA . 25803 1 30 . 1 1 3 3 GLU CB C 13 27.694 0.200 . 1 . . . A 97 GLU CB . 25803 1 31 . 1 1 3 3 GLU CG C 13 33.407 0.200 . 1 . . . A 97 GLU CG . 25803 1 32 . 1 1 3 3 GLU N N 15 125.407 0.200 . 1 . . . A 97 GLU N . 25803 1 33 . 1 1 4 4 GLY H H 1 8.333 0.020 . 1 . . . A 98 GLY H . 25803 1 34 . 1 1 4 4 GLY HA2 H 1 3.872 0.020 . 2 . . . A 98 GLY HA2 . 25803 1 35 . 1 1 4 4 GLY HA3 H 1 3.872 0.020 . 2 . . . A 98 GLY HA3 . 25803 1 36 . 1 1 4 4 GLY C C 13 171.069 0.200 . 1 . . . A 98 GLY C . 25803 1 37 . 1 1 4 4 GLY CA C 13 42.322 0.200 . 1 . . . A 98 GLY CA . 25803 1 38 . 1 1 4 4 GLY N N 15 110.529 0.200 . 1 . . . A 98 GLY N . 25803 1 39 . 1 1 5 5 ARG H H 1 8.388 0.020 . 1 . . . A 99 ARG H . 25803 1 40 . 1 1 5 5 ARG HA H 1 4.193 0.020 . 1 . . . A 99 ARG HA . 25803 1 41 . 1 1 5 5 ARG HB2 H 1 1.667 0.020 . 2 . . . A 99 ARG HB2 . 25803 1 42 . 1 1 5 5 ARG HB3 H 1 1.584 0.020 . 2 . . . A 99 ARG HB3 . 25803 1 43 . 1 1 5 5 ARG HG2 H 1 1.549 0.020 . 2 . . . A 99 ARG HG2 . 25803 1 44 . 1 1 5 5 ARG HG3 H 1 1.499 0.020 . 2 . . . A 99 ARG HG3 . 25803 1 45 . 1 1 5 5 ARG HD2 H 1 3.108 0.020 . 2 . . . A 99 ARG HD2 . 25803 1 46 . 1 1 5 5 ARG HD3 H 1 3.108 0.020 . 2 . . . A 99 ARG HD3 . 25803 1 47 . 1 1 5 5 ARG C C 13 173.490 0.200 . 1 . . . A 99 ARG C . 25803 1 48 . 1 1 5 5 ARG CA C 13 53.749 0.200 . 1 . . . A 99 ARG CA . 25803 1 49 . 1 1 5 5 ARG CB C 13 27.949 0.200 . 1 . . . A 99 ARG CB . 25803 1 50 . 1 1 5 5 ARG CG C 13 24.621 0.200 . 1 . . . A 99 ARG CG . 25803 1 51 . 1 1 5 5 ARG CD C 13 40.586 0.200 . 1 . . . A 99 ARG CD . 25803 1 52 . 1 1 5 5 ARG N N 15 120.647 0.200 . 1 . . . A 99 ARG N . 25803 1 53 . 1 1 6 6 HIS H H 1 8.427 0.020 . 1 . . . A 100 HIS H . 25803 1 54 . 1 1 6 6 HIS HA H 1 5.215 0.020 . 1 . . . A 100 HIS HA . 25803 1 55 . 1 1 6 6 HIS HB2 H 1 2.945 0.020 . 2 . . . A 100 HIS HB2 . 25803 1 56 . 1 1 6 6 HIS HB3 H 1 2.945 0.020 . 2 . . . A 100 HIS HB3 . 25803 1 57 . 1 1 6 6 HIS HD2 H 1 6.695 0.020 . 1 . . . A 100 HIS HD2 . 25803 1 58 . 1 1 6 6 HIS C C 13 170.919 0.200 . 1 . . . A 100 HIS C . 25803 1 59 . 1 1 6 6 HIS CA C 13 51.853 0.200 . 1 . . . A 100 HIS CA . 25803 1 60 . 1 1 6 6 HIS CB C 13 28.876 0.200 . 1 . . . A 100 HIS CB . 25803 1 61 . 1 1 6 6 HIS N N 15 120.797 0.200 . 1 . . . A 100 HIS N . 25803 1 62 . 1 1 7 7 MET H H 1 9.123 0.020 . 1 . . . A 101 MET H . 25803 1 63 . 1 1 7 7 MET HA H 1 4.600 0.020 . 1 . . . A 101 MET HA . 25803 1 64 . 1 1 7 7 MET HB2 H 1 1.848 0.020 . 2 . . . A 101 MET HB2 . 25803 1 65 . 1 1 7 7 MET HB3 H 1 1.625 0.020 . 2 . . . A 101 MET HB3 . 25803 1 66 . 1 1 7 7 MET HG2 H 1 2.150 0.020 . 2 . . . A 101 MET HG2 . 25803 1 67 . 1 1 7 7 MET HG3 H 1 2.047 0.020 . 2 . . . A 101 MET HG3 . 25803 1 68 . 1 1 7 7 MET HE1 H 1 1.621 0.020 . 1 . . . A 101 MET HE1 . 25803 1 69 . 1 1 7 7 MET HE2 H 1 1.621 0.020 . 1 . . . A 101 MET HE2 . 25803 1 70 . 1 1 7 7 MET HE3 H 1 1.621 0.020 . 1 . . . A 101 MET HE3 . 25803 1 71 . 1 1 7 7 MET C C 13 170.000 0.200 . 1 . . . A 101 MET C . 25803 1 72 . 1 1 7 7 MET CA C 13 51.785 0.200 . 1 . . . A 101 MET CA . 25803 1 73 . 1 1 7 7 MET CB C 13 33.540 0.200 . 1 . . . A 101 MET CB . 25803 1 74 . 1 1 7 7 MET CG C 13 28.717 0.200 . 1 . . . A 101 MET CG . 25803 1 75 . 1 1 7 7 MET CE C 13 14.954 0.200 . 1 . . . A 101 MET CE . 25803 1 76 . 1 1 7 7 MET N N 15 118.999 0.200 . 1 . . . A 101 MET N . 25803 1 77 . 1 1 8 8 ASP H H 1 8.469 0.020 . 1 . . . A 102 ASP H . 25803 1 78 . 1 1 8 8 ASP HA H 1 5.491 0.020 . 1 . . . A 102 ASP HA . 25803 1 79 . 1 1 8 8 ASP HB2 H 1 2.533 0.020 . 2 . . . A 102 ASP HB2 . 25803 1 80 . 1 1 8 8 ASP HB3 H 1 2.275 0.020 . 2 . . . A 102 ASP HB3 . 25803 1 81 . 1 1 8 8 ASP C C 13 173.413 0.200 . 1 . . . A 102 ASP C . 25803 1 82 . 1 1 8 8 ASP CA C 13 50.320 0.200 . 1 . . . A 102 ASP CA . 25803 1 83 . 1 1 8 8 ASP CB C 13 39.722 0.200 . 1 . . . A 102 ASP CB . 25803 1 84 . 1 1 8 8 ASP N N 15 122.054 0.200 . 1 . . . A 102 ASP N . 25803 1 85 . 1 1 9 9 LEU H H 1 8.906 0.020 . 1 . . . A 103 LEU H . 25803 1 86 . 1 1 9 9 LEU HA H 1 5.046 0.020 . 1 . . . A 103 LEU HA . 25803 1 87 . 1 1 9 9 LEU HB2 H 1 1.400 0.020 . 2 . . . A 103 LEU HB2 . 25803 1 88 . 1 1 9 9 LEU HB3 H 1 1.176 0.020 . 2 . . . A 103 LEU HB3 . 25803 1 89 . 1 1 9 9 LEU HG H 1 1.359 0.020 . 1 . . . A 103 LEU HG . 25803 1 90 . 1 1 9 9 LEU HD11 H 1 0.621 0.020 . 2 . . . A 103 LEU HD11 . 25803 1 91 . 1 1 9 9 LEU HD12 H 1 0.621 0.020 . 2 . . . A 103 LEU HD12 . 25803 1 92 . 1 1 9 9 LEU HD13 H 1 0.621 0.020 . 2 . . . A 103 LEU HD13 . 25803 1 93 . 1 1 9 9 LEU HD21 H 1 0.734 0.020 . 2 . . . A 103 LEU HD21 . 25803 1 94 . 1 1 9 9 LEU HD22 H 1 0.734 0.020 . 2 . . . A 103 LEU HD22 . 25803 1 95 . 1 1 9 9 LEU HD23 H 1 0.734 0.020 . 2 . . . A 103 LEU HD23 . 25803 1 96 . 1 1 9 9 LEU C C 13 173.374 0.200 . 1 . . . A 103 LEU C . 25803 1 97 . 1 1 9 9 LEU CA C 13 50.607 0.200 . 1 . . . A 103 LEU CA . 25803 1 98 . 1 1 9 9 LEU CB C 13 43.482 0.200 . 1 . . . A 103 LEU CB . 25803 1 99 . 1 1 9 9 LEU CG C 13 23.995 0.200 . 1 . . . A 103 LEU CG . 25803 1 100 . 1 1 9 9 LEU CD1 C 13 23.719 0.200 . 2 . . . A 103 LEU CD1 . 25803 1 101 . 1 1 9 9 LEU CD2 C 13 21.489 0.200 . 2 . . . A 103 LEU CD2 . 25803 1 102 . 1 1 9 9 LEU N N 15 122.521 0.200 . 1 . . . A 103 LEU N . 25803 1 103 . 1 1 10 10 THR H H 1 8.252 0.020 . 1 . . . A 104 THR H . 25803 1 104 . 1 1 10 10 THR HA H 1 4.742 0.020 . 1 . . . A 104 THR HA . 25803 1 105 . 1 1 10 10 THR HB H 1 3.784 0.020 . 1 . . . A 104 THR HB . 25803 1 106 . 1 1 10 10 THR HG1 H 1 5.216 0.020 . 1 . . . A 104 THR HG1 . 25803 1 107 . 1 1 10 10 THR HG21 H 1 0.967 0.020 . 1 . . . A 104 THR HG21 . 25803 1 108 . 1 1 10 10 THR HG22 H 1 0.967 0.020 . 1 . . . A 104 THR HG22 . 25803 1 109 . 1 1 10 10 THR HG23 H 1 0.967 0.020 . 1 . . . A 104 THR HG23 . 25803 1 110 . 1 1 10 10 THR C C 13 169.447 0.200 . 1 . . . A 104 THR C . 25803 1 111 . 1 1 10 10 THR CA C 13 59.633 0.200 . 1 . . . A 104 THR CA . 25803 1 112 . 1 1 10 10 THR CB C 13 67.582 0.200 . 1 . . . A 104 THR CB . 25803 1 113 . 1 1 10 10 THR CG2 C 13 19.019 0.200 . 1 . . . A 104 THR CG2 . 25803 1 114 . 1 1 10 10 THR N N 15 118.388 0.200 . 1 . . . A 104 THR N . 25803 1 115 . 1 1 11 11 ILE H H 1 8.899 0.020 . 1 . . . A 105 ILE H . 25803 1 116 . 1 1 11 11 ILE HA H 1 5.101 0.020 . 1 . . . A 105 ILE HA . 25803 1 117 . 1 1 11 11 ILE HB H 1 2.117 0.020 . 1 . . . A 105 ILE HB . 25803 1 118 . 1 1 11 11 ILE HG12 H 1 1.347 0.020 . 2 . . . A 105 ILE HG12 . 25803 1 119 . 1 1 11 11 ILE HG13 H 1 1.347 0.020 . 2 . . . A 105 ILE HG13 . 25803 1 120 . 1 1 11 11 ILE HG21 H 1 0.757 0.020 . 1 . . . A 105 ILE HG21 . 25803 1 121 . 1 1 11 11 ILE HG22 H 1 0.757 0.020 . 1 . . . A 105 ILE HG22 . 25803 1 122 . 1 1 11 11 ILE HG23 H 1 0.757 0.020 . 1 . . . A 105 ILE HG23 . 25803 1 123 . 1 1 11 11 ILE HD11 H 1 0.671 0.020 . 1 . . . A 105 ILE HD11 . 25803 1 124 . 1 1 11 11 ILE HD12 H 1 0.671 0.020 . 1 . . . A 105 ILE HD12 . 25803 1 125 . 1 1 11 11 ILE HD13 H 1 0.671 0.020 . 1 . . . A 105 ILE HD13 . 25803 1 126 . 1 1 11 11 ILE C C 13 172.181 0.200 . 1 . . . A 105 ILE C . 25803 1 127 . 1 1 11 11 ILE CA C 13 55.943 0.200 . 1 . . . A 105 ILE CA . 25803 1 128 . 1 1 11 11 ILE CB C 13 37.062 0.200 . 1 . . . A 105 ILE CB . 25803 1 129 . 1 1 11 11 ILE CG1 C 13 25.608 0.200 . 1 . . . A 105 ILE CG1 . 25803 1 130 . 1 1 11 11 ILE CG2 C 13 16.244 0.200 . 1 . . . A 105 ILE CG2 . 25803 1 131 . 1 1 11 11 ILE CD1 C 13 10.648 0.200 . 1 . . . A 105 ILE CD1 . 25803 1 132 . 1 1 11 11 ILE N N 15 125.507 0.200 . 1 . . . A 105 ILE N . 25803 1 133 . 1 1 12 12 SER H H 1 9.002 0.020 . 1 . . . A 106 SER H . 25803 1 134 . 1 1 12 12 SER HA H 1 5.069 0.020 . 1 . . . A 106 SER HA . 25803 1 135 . 1 1 12 12 SER HB2 H 1 3.842 0.020 . 2 . . . A 106 SER HB2 . 25803 1 136 . 1 1 12 12 SER HB3 H 1 3.560 0.020 . 2 . . . A 106 SER HB3 . 25803 1 137 . 1 1 12 12 SER C C 13 170.721 0.200 . 1 . . . A 106 SER C . 25803 1 138 . 1 1 12 12 SER CA C 13 52.959 0.200 . 1 . . . A 106 SER CA . 25803 1 139 . 1 1 12 12 SER CB C 13 61.679 0.200 . 1 . . . A 106 SER CB . 25803 1 140 . 1 1 12 12 SER N N 15 121.089 0.200 . 1 . . . A 106 SER N . 25803 1 141 . 1 1 13 13 ASN H H 1 8.925 0.020 . 1 . . . A 107 ASN H . 25803 1 142 . 1 1 13 13 ASN HA H 1 4.979 0.020 . 1 . . . A 107 ASN HA . 25803 1 143 . 1 1 13 13 ASN HB2 H 1 3.455 0.020 . 2 . . . A 107 ASN HB2 . 25803 1 144 . 1 1 13 13 ASN HB3 H 1 2.380 0.020 . 2 . . . A 107 ASN HB3 . 25803 1 145 . 1 1 13 13 ASN HD21 H 1 7.657 0.020 . 2 . . . A 107 ASN HD21 . 25803 1 146 . 1 1 13 13 ASN HD22 H 1 6.592 0.020 . 2 . . . A 107 ASN HD22 . 25803 1 147 . 1 1 13 13 ASN C C 13 172.989 0.200 . 1 . . . A 107 ASN C . 25803 1 148 . 1 1 13 13 ASN CA C 13 49.736 0.200 . 1 . . . A 107 ASN CA . 25803 1 149 . 1 1 13 13 ASN CB C 13 36.444 0.200 . 1 . . . A 107 ASN CB . 25803 1 150 . 1 1 13 13 ASN N N 15 125.868 0.200 . 1 . . . A 107 ASN N . 25803 1 151 . 1 1 13 13 ASN ND2 N 15 111.189 0.200 . 1 . . . A 107 ASN ND2 . 25803 1 152 . 1 1 14 14 GLU H H 1 8.812 0.020 . 1 . . . A 108 GLU H . 25803 1 153 . 1 1 14 14 GLU HA H 1 4.056 0.020 . 1 . . . A 108 GLU HA . 25803 1 154 . 1 1 14 14 GLU HB2 H 1 2.163 0.020 . 2 . . . A 108 GLU HB2 . 25803 1 155 . 1 1 14 14 GLU HB3 H 1 2.058 0.020 . 2 . . . A 108 GLU HB3 . 25803 1 156 . 1 1 14 14 GLU HG2 H 1 2.220 0.020 . 2 . . . A 108 GLU HG2 . 25803 1 157 . 1 1 14 14 GLU HG3 H 1 2.192 0.020 . 2 . . . A 108 GLU HG3 . 25803 1 158 . 1 1 14 14 GLU C C 13 175.116 0.200 . 1 . . . A 108 GLU C . 25803 1 159 . 1 1 14 14 GLU CA C 13 55.648 0.200 . 1 . . . A 108 GLU CA . 25803 1 160 . 1 1 14 14 GLU CB C 13 27.700 0.200 . 1 . . . A 108 GLU CB . 25803 1 161 . 1 1 14 14 GLU CG C 13 34.922 0.200 . 1 . . . A 108 GLU CG . 25803 1 162 . 1 1 14 14 GLU N N 15 125.394 0.200 . 1 . . . A 108 GLU N . 25803 1 163 . 1 1 15 15 LEU H H 1 8.451 0.020 . 1 . . . A 109 LEU H . 25803 1 164 . 1 1 15 15 LEU HA H 1 4.237 0.020 . 1 . . . A 109 LEU HA . 25803 1 165 . 1 1 15 15 LEU HB2 H 1 2.107 0.020 . 2 . . . A 109 LEU HB2 . 25803 1 166 . 1 1 15 15 LEU HB3 H 1 1.587 0.020 . 2 . . . A 109 LEU HB3 . 25803 1 167 . 1 1 15 15 LEU HG H 1 1.620 0.020 . 1 . . . A 109 LEU HG . 25803 1 168 . 1 1 15 15 LEU HD11 H 1 0.770 0.020 . 2 . . . A 109 LEU HD11 . 25803 1 169 . 1 1 15 15 LEU HD12 H 1 0.770 0.020 . 2 . . . A 109 LEU HD12 . 25803 1 170 . 1 1 15 15 LEU HD13 H 1 0.770 0.020 . 2 . . . A 109 LEU HD13 . 25803 1 171 . 1 1 15 15 LEU HD21 H 1 0.802 0.020 . 2 . . . A 109 LEU HD21 . 25803 1 172 . 1 1 15 15 LEU HD22 H 1 0.802 0.020 . 2 . . . A 109 LEU HD22 . 25803 1 173 . 1 1 15 15 LEU HD23 H 1 0.802 0.020 . 2 . . . A 109 LEU HD23 . 25803 1 174 . 1 1 15 15 LEU C C 13 176.749 0.200 . 1 . . . A 109 LEU C . 25803 1 175 . 1 1 15 15 LEU CA C 13 54.582 0.200 . 1 . . . A 109 LEU CA . 25803 1 176 . 1 1 15 15 LEU CB C 13 37.973 0.200 . 1 . . . A 109 LEU CB . 25803 1 177 . 1 1 15 15 LEU CG C 13 25.034 0.200 . 1 . . . A 109 LEU CG . 25803 1 178 . 1 1 15 15 LEU CD1 C 13 22.126 0.200 . 2 . . . A 109 LEU CD1 . 25803 1 179 . 1 1 15 15 LEU CD2 C 13 21.616 0.200 . 2 . . . A 109 LEU CD2 . 25803 1 180 . 1 1 15 15 LEU N N 15 118.962 0.200 . 1 . . . A 109 LEU N . 25803 1 181 . 1 1 16 16 THR H H 1 7.277 0.020 . 1 . . . A 110 THR H . 25803 1 182 . 1 1 16 16 THR HA H 1 4.347 0.020 . 1 . . . A 110 THR HA . 25803 1 183 . 1 1 16 16 THR HB H 1 4.275 0.020 . 1 . . . A 110 THR HB . 25803 1 184 . 1 1 16 16 THR HG21 H 1 1.060 0.020 . 1 . . . A 110 THR HG21 . 25803 1 185 . 1 1 16 16 THR HG22 H 1 1.060 0.020 . 1 . . . A 110 THR HG22 . 25803 1 186 . 1 1 16 16 THR HG23 H 1 1.060 0.020 . 1 . . . A 110 THR HG23 . 25803 1 187 . 1 1 16 16 THR C C 13 173.847 0.200 . 1 . . . A 110 THR C . 25803 1 188 . 1 1 16 16 THR CA C 13 58.381 0.200 . 1 . . . A 110 THR CA . 25803 1 189 . 1 1 16 16 THR CB C 13 67.866 0.200 . 1 . . . A 110 THR CB . 25803 1 190 . 1 1 16 16 THR CG2 C 13 18.610 0.200 . 1 . . . A 110 THR CG2 . 25803 1 191 . 1 1 16 16 THR N N 15 106.273 0.200 . 1 . . . A 110 THR N . 25803 1 192 . 1 1 17 17 GLY H H 1 8.277 0.020 . 1 . . . A 111 GLY H . 25803 1 193 . 1 1 17 17 GLY HA2 H 1 4.072 0.020 . 2 . . . A 111 GLY HA2 . 25803 1 194 . 1 1 17 17 GLY HA3 H 1 3.654 0.020 . 2 . . . A 111 GLY HA3 . 25803 1 195 . 1 1 17 17 GLY C C 13 171.299 0.200 . 1 . . . A 111 GLY C . 25803 1 196 . 1 1 17 17 GLY CA C 13 42.965 0.200 . 1 . . . A 111 GLY CA . 25803 1 197 . 1 1 17 17 GLY N N 15 111.840 0.200 . 1 . . . A 111 GLY N . 25803 1 198 . 1 1 18 18 GLU H H 1 7.529 0.020 . 1 . . . A 112 GLU H . 25803 1 199 . 1 1 18 18 GLU HA H 1 4.164 0.020 . 1 . . . A 112 GLU HA . 25803 1 200 . 1 1 18 18 GLU HB2 H 1 1.677 0.020 . 2 . . . A 112 GLU HB2 . 25803 1 201 . 1 1 18 18 GLU HB3 H 1 1.677 0.020 . 2 . . . A 112 GLU HB3 . 25803 1 202 . 1 1 18 18 GLU HG2 H 1 2.075 0.020 . 2 . . . A 112 GLU HG2 . 25803 1 203 . 1 1 18 18 GLU HG3 H 1 1.994 0.020 . 2 . . . A 112 GLU HG3 . 25803 1 204 . 1 1 18 18 GLU C C 13 171.995 0.200 . 1 . . . A 112 GLU C . 25803 1 205 . 1 1 18 18 GLU CA C 13 53.639 0.200 . 1 . . . A 112 GLU CA . 25803 1 206 . 1 1 18 18 GLU CB C 13 29.521 0.200 . 1 . . . A 112 GLU CB . 25803 1 207 . 1 1 18 18 GLU CG C 13 33.839 0.200 . 1 . . . A 112 GLU CG . 25803 1 208 . 1 1 18 18 GLU N N 15 119.781 0.200 . 1 . . . A 112 GLU N . 25803 1 209 . 1 1 19 19 ILE H H 1 8.171 0.020 . 1 . . . A 113 ILE H . 25803 1 210 . 1 1 19 19 ILE HA H 1 4.703 0.020 . 1 . . . A 113 ILE HA . 25803 1 211 . 1 1 19 19 ILE HB H 1 1.586 0.020 . 1 . . . A 113 ILE HB . 25803 1 212 . 1 1 19 19 ILE HG12 H 1 1.425 0.020 . 2 . . . A 113 ILE HG12 . 25803 1 213 . 1 1 19 19 ILE HG13 H 1 0.984 0.020 . 2 . . . A 113 ILE HG13 . 25803 1 214 . 1 1 19 19 ILE HG21 H 1 0.652 0.020 . 1 . . . A 113 ILE HG21 . 25803 1 215 . 1 1 19 19 ILE HG22 H 1 0.652 0.020 . 1 . . . A 113 ILE HG22 . 25803 1 216 . 1 1 19 19 ILE HG23 H 1 0.652 0.020 . 1 . . . A 113 ILE HG23 . 25803 1 217 . 1 1 19 19 ILE HD11 H 1 0.708 0.020 . 1 . . . A 113 ILE HD11 . 25803 1 218 . 1 1 19 19 ILE HD12 H 1 0.708 0.020 . 1 . . . A 113 ILE HD12 . 25803 1 219 . 1 1 19 19 ILE HD13 H 1 0.708 0.020 . 1 . . . A 113 ILE HD13 . 25803 1 220 . 1 1 19 19 ILE C C 13 172.266 0.200 . 1 . . . A 113 ILE C . 25803 1 221 . 1 1 19 19 ILE CA C 13 56.970 0.200 . 1 . . . A 113 ILE CA . 25803 1 222 . 1 1 19 19 ILE CB C 13 37.026 0.200 . 1 . . . A 113 ILE CB . 25803 1 223 . 1 1 19 19 ILE CG1 C 13 24.732 0.200 . 1 . . . A 113 ILE CG1 . 25803 1 224 . 1 1 19 19 ILE CG2 C 13 14.698 0.200 . 1 . . . A 113 ILE CG2 . 25803 1 225 . 1 1 19 19 ILE CD1 C 13 9.892 0.200 . 1 . . . A 113 ILE CD1 . 25803 1 226 . 1 1 19 19 ILE N N 15 122.444 0.200 . 1 . . . A 113 ILE N . 25803 1 227 . 1 1 20 20 TYR H H 1 9.437 0.020 . 1 . . . A 114 TYR H . 25803 1 228 . 1 1 20 20 TYR HA H 1 4.770 0.020 . 1 . . . A 114 TYR HA . 25803 1 229 . 1 1 20 20 TYR HB2 H 1 2.921 0.020 . 2 . . . A 114 TYR HB2 . 25803 1 230 . 1 1 20 20 TYR HB3 H 1 2.790 0.020 . 2 . . . A 114 TYR HB3 . 25803 1 231 . 1 1 20 20 TYR HD1 H 1 6.952 0.020 . 3 . . . A 114 TYR HD1 . 25803 1 232 . 1 1 20 20 TYR HD2 H 1 6.952 0.020 . 3 . . . A 114 TYR HD2 . 25803 1 233 . 1 1 20 20 TYR C C 13 171.658 0.200 . 1 . . . A 114 TYR C . 25803 1 234 . 1 1 20 20 TYR CA C 13 53.773 0.200 . 1 . . . A 114 TYR CA . 25803 1 235 . 1 1 20 20 TYR CB C 13 38.812 0.200 . 1 . . . A 114 TYR CB . 25803 1 236 . 1 1 20 20 TYR N N 15 128.112 0.200 . 1 . . . A 114 TYR N . 25803 1 237 . 1 1 21 21 GLY H H 1 8.382 0.020 . 1 . . . A 115 GLY H . 25803 1 238 . 1 1 21 21 GLY HA2 H 1 4.616 0.020 . 2 . . . A 115 GLY HA2 . 25803 1 239 . 1 1 21 21 GLY HA3 H 1 3.238 0.020 . 2 . . . A 115 GLY HA3 . 25803 1 240 . 1 1 21 21 GLY C C 13 168.928 0.200 . 1 . . . A 115 GLY C . 25803 1 241 . 1 1 21 21 GLY CA C 13 40.748 0.200 . 1 . . . A 115 GLY CA . 25803 1 242 . 1 1 21 21 GLY N N 15 110.310 0.200 . 1 . . . A 115 GLY N . 25803 1 243 . 1 1 22 22 PRO HA H 1 4.636 0.020 . 1 . . . A 116 PRO HA . 25803 1 244 . 1 1 22 22 PRO HB2 H 1 1.756 0.020 . 2 . . . A 116 PRO HB2 . 25803 1 245 . 1 1 22 22 PRO HB3 H 1 2.088 0.020 . 2 . . . A 116 PRO HB3 . 25803 1 246 . 1 1 22 22 PRO HG2 H 1 1.858 0.020 . 2 . . . A 116 PRO HG2 . 25803 1 247 . 1 1 22 22 PRO HG3 H 1 1.760 0.020 . 2 . . . A 116 PRO HG3 . 25803 1 248 . 1 1 22 22 PRO HD2 H 1 3.457 0.020 . 2 . . . A 116 PRO HD2 . 25803 1 249 . 1 1 22 22 PRO HD3 H 1 3.423 0.020 . 2 . . . A 116 PRO HD3 . 25803 1 250 . 1 1 22 22 PRO C C 13 173.928 0.200 . 1 . . . A 116 PRO C . 25803 1 251 . 1 1 22 22 PRO CA C 13 59.684 0.200 . 1 . . . A 116 PRO CA . 25803 1 252 . 1 1 22 22 PRO CB C 13 31.606 0.200 . 1 . . . A 116 PRO CB . 25803 1 253 . 1 1 22 22 PRO CG C 13 22.644 0.200 . 1 . . . A 116 PRO CG . 25803 1 254 . 1 1 22 22 PRO CD C 13 47.668 0.200 . 1 . . . A 116 PRO CD . 25803 1 255 . 1 1 23 23 ILE H H 1 9.534 0.020 . 1 . . . A 117 ILE H . 25803 1 256 . 1 1 23 23 ILE HA H 1 4.341 0.020 . 1 . . . A 117 ILE HA . 25803 1 257 . 1 1 23 23 ILE HB H 1 1.647 0.020 . 1 . . . A 117 ILE HB . 25803 1 258 . 1 1 23 23 ILE HG12 H 1 1.378 0.020 . 2 . . . A 117 ILE HG12 . 25803 1 259 . 1 1 23 23 ILE HG13 H 1 1.001 0.020 . 2 . . . A 117 ILE HG13 . 25803 1 260 . 1 1 23 23 ILE HG21 H 1 0.659 0.020 . 1 . . . A 117 ILE HG21 . 25803 1 261 . 1 1 23 23 ILE HG22 H 1 0.659 0.020 . 1 . . . A 117 ILE HG22 . 25803 1 262 . 1 1 23 23 ILE HG23 H 1 0.659 0.020 . 1 . . . A 117 ILE HG23 . 25803 1 263 . 1 1 23 23 ILE HD11 H 1 0.578 0.020 . 1 . . . A 117 ILE HD11 . 25803 1 264 . 1 1 23 23 ILE HD12 H 1 0.578 0.020 . 1 . . . A 117 ILE HD12 . 25803 1 265 . 1 1 23 23 ILE HD13 H 1 0.578 0.020 . 1 . . . A 117 ILE HD13 . 25803 1 266 . 1 1 23 23 ILE C C 13 171.195 0.200 . 1 . . . A 117 ILE C . 25803 1 267 . 1 1 23 23 ILE CA C 13 57.024 0.200 . 1 . . . A 117 ILE CA . 25803 1 268 . 1 1 23 23 ILE CB C 13 37.275 0.200 . 1 . . . A 117 ILE CB . 25803 1 269 . 1 1 23 23 ILE CG1 C 13 23.867 0.200 . 1 . . . A 117 ILE CG1 . 25803 1 270 . 1 1 23 23 ILE CG2 C 13 15.006 0.200 . 1 . . . A 117 ILE CG2 . 25803 1 271 . 1 1 23 23 ILE CD1 C 13 10.528 0.200 . 1 . . . A 117 ILE CD1 . 25803 1 272 . 1 1 23 23 ILE N N 15 123.634 0.200 . 1 . . . A 117 ILE N . 25803 1 273 . 1 1 24 24 GLU H H 1 8.296 0.020 . 1 . . . A 118 GLU H . 25803 1 274 . 1 1 24 24 GLU HA H 1 5.016 0.020 . 1 . . . A 118 GLU HA . 25803 1 275 . 1 1 24 24 GLU HB2 H 1 1.828 0.020 . 2 . . . A 118 GLU HB2 . 25803 1 276 . 1 1 24 24 GLU HB3 H 1 1.721 0.020 . 2 . . . A 118 GLU HB3 . 25803 1 277 . 1 1 24 24 GLU HG2 H 1 2.083 0.020 . 2 . . . A 118 GLU HG2 . 25803 1 278 . 1 1 24 24 GLU HG3 H 1 1.838 0.020 . 2 . . . A 118 GLU HG3 . 25803 1 279 . 1 1 24 24 GLU C C 13 173.573 0.200 . 1 . . . A 118 GLU C . 25803 1 280 . 1 1 24 24 GLU CA C 13 52.809 0.200 . 1 . . . A 118 GLU CA . 25803 1 281 . 1 1 24 24 GLU CB C 13 27.887 0.200 . 1 . . . A 118 GLU CB . 25803 1 282 . 1 1 24 24 GLU CG C 13 33.767 0.200 . 1 . . . A 118 GLU CG . 25803 1 283 . 1 1 24 24 GLU N N 15 125.901 0.200 . 1 . . . A 118 GLU N . 25803 1 284 . 1 1 25 25 VAL H H 1 8.979 0.020 . 1 . . . A 119 VAL H . 25803 1 285 . 1 1 25 25 VAL HA H 1 4.615 0.020 . 1 . . . A 119 VAL HA . 25803 1 286 . 1 1 25 25 VAL HB H 1 2.197 0.020 . 1 . . . A 119 VAL HB . 25803 1 287 . 1 1 25 25 VAL HG11 H 1 0.632 0.020 . 2 . . . A 119 VAL HG11 . 25803 1 288 . 1 1 25 25 VAL HG12 H 1 0.632 0.020 . 2 . . . A 119 VAL HG12 . 25803 1 289 . 1 1 25 25 VAL HG13 H 1 0.632 0.020 . 2 . . . A 119 VAL HG13 . 25803 1 290 . 1 1 25 25 VAL HG21 H 1 0.536 0.020 . 2 . . . A 119 VAL HG21 . 25803 1 291 . 1 1 25 25 VAL HG22 H 1 0.536 0.020 . 2 . . . A 119 VAL HG22 . 25803 1 292 . 1 1 25 25 VAL HG23 H 1 0.536 0.020 . 2 . . . A 119 VAL HG23 . 25803 1 293 . 1 1 25 25 VAL C C 13 172.108 0.200 . 1 . . . A 119 VAL C . 25803 1 294 . 1 1 25 25 VAL CA C 13 55.743 0.200 . 1 . . . A 119 VAL CA . 25803 1 295 . 1 1 25 25 VAL CB C 13 32.959 0.200 . 1 . . . A 119 VAL CB . 25803 1 296 . 1 1 25 25 VAL CG1 C 13 19.569 0.200 . 2 . . . A 119 VAL CG1 . 25803 1 297 . 1 1 25 25 VAL CG2 C 13 16.134 0.200 . 2 . . . A 119 VAL CG2 . 25803 1 298 . 1 1 25 25 VAL N N 15 119.239 0.200 . 1 . . . A 119 VAL N . 25803 1 299 . 1 1 26 26 SER H H 1 8.171 0.020 . 1 . . . A 120 SER H . 25803 1 300 . 1 1 26 26 SER HA H 1 4.383 0.020 . 1 . . . A 120 SER HA . 25803 1 301 . 1 1 26 26 SER HB2 H 1 3.813 0.020 . 2 . . . A 120 SER HB2 . 25803 1 302 . 1 1 26 26 SER HB3 H 1 3.579 0.020 . 2 . . . A 120 SER HB3 . 25803 1 303 . 1 1 26 26 SER HG H 1 4.311 0.020 . 1 . . . A 120 SER HG . 25803 1 304 . 1 1 26 26 SER C C 13 173.572 0.200 . 1 . . . A 120 SER C . 25803 1 305 . 1 1 26 26 SER CA C 13 54.569 0.200 . 1 . . . A 120 SER CA . 25803 1 306 . 1 1 26 26 SER CB C 13 61.278 0.200 . 1 . . . A 120 SER CB . 25803 1 307 . 1 1 26 26 SER N N 15 114.845 0.200 . 1 . . . A 120 SER N . 25803 1 308 . 1 1 27 27 GLU H H 1 8.474 0.020 . 1 . . . A 121 GLU H . 25803 1 309 . 1 1 27 27 GLU HA H 1 4.033 0.020 . 1 . . . A 121 GLU HA . 25803 1 310 . 1 1 27 27 GLU HB2 H 1 1.869 0.020 . 2 . . . A 121 GLU HB2 . 25803 1 311 . 1 1 27 27 GLU HB3 H 1 1.716 0.020 . 2 . . . A 121 GLU HB3 . 25803 1 312 . 1 1 27 27 GLU HG2 H 1 2.309 0.020 . 2 . . . A 121 GLU HG2 . 25803 1 313 . 1 1 27 27 GLU HG3 H 1 1.989 0.020 . 2 . . . A 121 GLU HG3 . 25803 1 314 . 1 1 27 27 GLU C C 13 171.865 0.200 . 1 . . . A 121 GLU C . 25803 1 315 . 1 1 27 27 GLU CA C 13 55.546 0.200 . 1 . . . A 121 GLU CA . 25803 1 316 . 1 1 27 27 GLU CB C 13 26.688 0.200 . 1 . . . A 121 GLU CB . 25803 1 317 . 1 1 27 27 GLU CG C 13 32.385 0.200 . 1 . . . A 121 GLU CG . 25803 1 318 . 1 1 27 27 GLU N N 15 124.493 0.200 . 1 . . . A 121 GLU N . 25803 1 319 . 1 1 28 28 ASP H H 1 7.755 0.020 . 1 . . . A 122 ASP H . 25803 1 320 . 1 1 28 28 ASP HA H 1 4.643 0.020 . 1 . . . A 122 ASP HA . 25803 1 321 . 1 1 28 28 ASP HB2 H 1 2.805 0.020 . 2 . . . A 122 ASP HB2 . 25803 1 322 . 1 1 28 28 ASP HB3 H 1 2.805 0.020 . 2 . . . A 122 ASP HB3 . 25803 1 323 . 1 1 28 28 ASP C C 13 172.956 0.200 . 1 . . . A 122 ASP C . 25803 1 324 . 1 1 28 28 ASP CA C 13 51.240 0.200 . 1 . . . A 122 ASP CA . 25803 1 325 . 1 1 28 28 ASP CB C 13 38.661 0.200 . 1 . . . A 122 ASP CB . 25803 1 326 . 1 1 28 28 ASP N N 15 114.875 0.200 . 1 . . . A 122 ASP N . 25803 1 327 . 1 1 29 29 MET H H 1 7.401 0.020 . 1 . . . A 123 MET H . 25803 1 328 . 1 1 29 29 MET HA H 1 3.990 0.020 . 1 . . . A 123 MET HA . 25803 1 329 . 1 1 29 29 MET HB2 H 1 2.185 0.020 . 2 . . . A 123 MET HB2 . 25803 1 330 . 1 1 29 29 MET HB3 H 1 1.845 0.020 . 2 . . . A 123 MET HB3 . 25803 1 331 . 1 1 29 29 MET HG2 H 1 2.866 0.020 . 2 . . . A 123 MET HG2 . 25803 1 332 . 1 1 29 29 MET HG3 H 1 2.387 0.020 . 2 . . . A 123 MET HG3 . 25803 1 333 . 1 1 29 29 MET HE1 H 1 1.966 0.020 . 1 . . . A 123 MET HE1 . 25803 1 334 . 1 1 29 29 MET HE2 H 1 1.966 0.020 . 1 . . . A 123 MET HE2 . 25803 1 335 . 1 1 29 29 MET HE3 H 1 1.966 0.020 . 1 . . . A 123 MET HE3 . 25803 1 336 . 1 1 29 29 MET C C 13 172.097 0.200 . 1 . . . A 123 MET C . 25803 1 337 . 1 1 29 29 MET CA C 13 53.909 0.200 . 1 . . . A 123 MET CA . 25803 1 338 . 1 1 29 29 MET CB C 13 31.724 0.200 . 1 . . . A 123 MET CB . 25803 1 339 . 1 1 29 29 MET CG C 13 29.248 0.200 . 1 . . . A 123 MET CG . 25803 1 340 . 1 1 29 29 MET CE C 13 14.873 0.200 . 1 . . . A 123 MET CE . 25803 1 341 . 1 1 29 29 MET N N 15 122.256 0.200 . 1 . . . A 123 MET N . 25803 1 342 . 1 1 30 30 ALA H H 1 8.852 0.020 . 1 . . . A 124 ALA H . 25803 1 343 . 1 1 30 30 ALA HA H 1 4.185 0.020 . 1 . . . A 124 ALA HA . 25803 1 344 . 1 1 30 30 ALA HB1 H 1 1.342 0.020 . 1 . . . A 124 ALA HB1 . 25803 1 345 . 1 1 30 30 ALA HB2 H 1 1.342 0.020 . 1 . . . A 124 ALA HB2 . 25803 1 346 . 1 1 30 30 ALA HB3 H 1 1.342 0.020 . 1 . . . A 124 ALA HB3 . 25803 1 347 . 1 1 30 30 ALA C C 13 177.582 0.200 . 1 . . . A 124 ALA C . 25803 1 348 . 1 1 30 30 ALA CA C 13 49.111 0.200 . 1 . . . A 124 ALA CA . 25803 1 349 . 1 1 30 30 ALA CB C 13 16.897 0.200 . 1 . . . A 124 ALA CB . 25803 1 350 . 1 1 30 30 ALA N N 15 127.989 0.200 . 1 . . . A 124 ALA N . 25803 1 351 . 1 1 31 31 LEU H H 1 8.624 0.020 . 1 . . . A 125 LEU H . 25803 1 352 . 1 1 31 31 LEU HA H 1 3.810 0.020 . 1 . . . A 125 LEU HA . 25803 1 353 . 1 1 31 31 LEU HB2 H 1 1.935 0.020 . 2 . . . A 125 LEU HB2 . 25803 1 354 . 1 1 31 31 LEU HB3 H 1 1.309 0.020 . 2 . . . A 125 LEU HB3 . 25803 1 355 . 1 1 31 31 LEU HG H 1 1.470 0.020 . 1 . . . A 125 LEU HG . 25803 1 356 . 1 1 31 31 LEU HD11 H 1 0.756 0.020 . 2 . . . A 125 LEU HD11 . 25803 1 357 . 1 1 31 31 LEU HD12 H 1 0.756 0.020 . 2 . . . A 125 LEU HD12 . 25803 1 358 . 1 1 31 31 LEU HD13 H 1 0.756 0.020 . 2 . . . A 125 LEU HD13 . 25803 1 359 . 1 1 31 31 LEU HD21 H 1 0.634 0.020 . 2 . . . A 125 LEU HD21 . 25803 1 360 . 1 1 31 31 LEU HD22 H 1 0.634 0.020 . 2 . . . A 125 LEU HD22 . 25803 1 361 . 1 1 31 31 LEU HD23 H 1 0.634 0.020 . 2 . . . A 125 LEU HD23 . 25803 1 362 . 1 1 31 31 LEU C C 13 175.807 0.200 . 1 . . . A 125 LEU C . 25803 1 363 . 1 1 31 31 LEU CA C 13 55.705 0.200 . 1 . . . A 125 LEU CA . 25803 1 364 . 1 1 31 31 LEU CB C 13 37.002 0.200 . 1 . . . A 125 LEU CB . 25803 1 365 . 1 1 31 31 LEU CG C 13 24.264 0.200 . 1 . . . A 125 LEU CG . 25803 1 366 . 1 1 31 31 LEU CD1 C 13 23.565 0.200 . 2 . . . A 125 LEU CD1 . 25803 1 367 . 1 1 31 31 LEU CD2 C 13 20.377 0.200 . 2 . . . A 125 LEU CD2 . 25803 1 368 . 1 1 31 31 LEU N N 15 124.744 0.200 . 1 . . . A 125 LEU N . 25803 1 369 . 1 1 32 32 THR H H 1 7.704 0.020 . 1 . . . A 126 THR H . 25803 1 370 . 1 1 32 32 THR HA H 1 3.747 0.020 . 1 . . . A 126 THR HA . 25803 1 371 . 1 1 32 32 THR HB H 1 3.985 0.020 . 1 . . . A 126 THR HB . 25803 1 372 . 1 1 32 32 THR HG21 H 1 1.157 0.020 . 1 . . . A 126 THR HG21 . 25803 1 373 . 1 1 32 32 THR HG22 H 1 1.157 0.020 . 1 . . . A 126 THR HG22 . 25803 1 374 . 1 1 32 32 THR HG23 H 1 1.157 0.020 . 1 . . . A 126 THR HG23 . 25803 1 375 . 1 1 32 32 THR C C 13 174.479 0.200 . 1 . . . A 126 THR C . 25803 1 376 . 1 1 32 32 THR CA C 13 62.482 0.200 . 1 . . . A 126 THR CA . 25803 1 377 . 1 1 32 32 THR CB C 13 65.431 0.200 . 1 . . . A 126 THR CB . 25803 1 378 . 1 1 32 32 THR CG2 C 13 19.812 0.200 . 1 . . . A 126 THR CG2 . 25803 1 379 . 1 1 32 32 THR N N 15 107.639 0.200 . 1 . . . A 126 THR N . 25803 1 380 . 1 1 33 33 ASP H H 1 7.020 0.020 . 1 . . . A 127 ASP H . 25803 1 381 . 1 1 33 33 ASP HA H 1 4.600 0.020 . 1 . . . A 127 ASP HA . 25803 1 382 . 1 1 33 33 ASP HB2 H 1 2.792 0.020 . 2 . . . A 127 ASP HB2 . 25803 1 383 . 1 1 33 33 ASP HB3 H 1 2.634 0.020 . 2 . . . A 127 ASP HB3 . 25803 1 384 . 1 1 33 33 ASP C C 13 175.970 0.200 . 1 . . . A 127 ASP C . 25803 1 385 . 1 1 33 33 ASP CA C 13 54.281 0.200 . 1 . . . A 127 ASP CA . 25803 1 386 . 1 1 33 33 ASP CB C 13 37.779 0.200 . 1 . . . A 127 ASP CB . 25803 1 387 . 1 1 33 33 ASP N N 15 121.897 0.200 . 1 . . . A 127 ASP N . 25803 1 388 . 1 1 34 34 LEU H H 1 7.775 0.020 . 1 . . . A 128 LEU H . 25803 1 389 . 1 1 34 34 LEU HA H 1 4.093 0.020 . 1 . . . A 128 LEU HA . 25803 1 390 . 1 1 34 34 LEU HB2 H 1 2.051 0.020 . 2 . . . A 128 LEU HB2 . 25803 1 391 . 1 1 34 34 LEU HB3 H 1 1.440 0.020 . 2 . . . A 128 LEU HB3 . 25803 1 392 . 1 1 34 34 LEU HG H 1 1.271 0.020 . 1 . . . A 128 LEU HG . 25803 1 393 . 1 1 34 34 LEU HD11 H 1 0.554 0.020 . 2 . . . A 128 LEU HD11 . 25803 1 394 . 1 1 34 34 LEU HD12 H 1 0.554 0.020 . 2 . . . A 128 LEU HD12 . 25803 1 395 . 1 1 34 34 LEU HD13 H 1 0.554 0.020 . 2 . . . A 128 LEU HD13 . 25803 1 396 . 1 1 34 34 LEU HD21 H 1 0.736 0.020 . 2 . . . A 128 LEU HD21 . 25803 1 397 . 1 1 34 34 LEU HD22 H 1 0.736 0.020 . 2 . . . A 128 LEU HD22 . 25803 1 398 . 1 1 34 34 LEU HD23 H 1 0.736 0.020 . 2 . . . A 128 LEU HD23 . 25803 1 399 . 1 1 34 34 LEU C C 13 175.625 0.200 . 1 . . . A 128 LEU C . 25803 1 400 . 1 1 34 34 LEU CA C 13 55.275 0.200 . 1 . . . A 128 LEU CA . 25803 1 401 . 1 1 34 34 LEU CB C 13 37.801 0.200 . 1 . . . A 128 LEU CB . 25803 1 402 . 1 1 34 34 LEU CG C 13 24.564 0.200 . 1 . . . A 128 LEU CG . 25803 1 403 . 1 1 34 34 LEU CD1 C 13 22.986 0.200 . 2 . . . A 128 LEU CD1 . 25803 1 404 . 1 1 34 34 LEU CD2 C 13 20.257 0.200 . 2 . . . A 128 LEU CD2 . 25803 1 405 . 1 1 34 34 LEU N N 15 125.095 0.200 . 1 . . . A 128 LEU N . 25803 1 406 . 1 1 35 35 ILE H H 1 8.506 0.020 . 1 . . . A 129 ILE H . 25803 1 407 . 1 1 35 35 ILE HA H 1 3.171 0.020 . 1 . . . A 129 ILE HA . 25803 1 408 . 1 1 35 35 ILE HB H 1 1.992 0.020 . 1 . . . A 129 ILE HB . 25803 1 409 . 1 1 35 35 ILE HG12 H 1 1.423 0.020 . 2 . . . A 129 ILE HG12 . 25803 1 410 . 1 1 35 35 ILE HG13 H 1 1.151 0.020 . 2 . . . A 129 ILE HG13 . 25803 1 411 . 1 1 35 35 ILE HG21 H 1 0.844 0.020 . 1 . . . A 129 ILE HG21 . 25803 1 412 . 1 1 35 35 ILE HG22 H 1 0.844 0.020 . 1 . . . A 129 ILE HG22 . 25803 1 413 . 1 1 35 35 ILE HG23 H 1 0.844 0.020 . 1 . . . A 129 ILE HG23 . 25803 1 414 . 1 1 35 35 ILE HD11 H 1 0.461 0.020 . 1 . . . A 129 ILE HD11 . 25803 1 415 . 1 1 35 35 ILE HD12 H 1 0.461 0.020 . 1 . . . A 129 ILE HD12 . 25803 1 416 . 1 1 35 35 ILE HD13 H 1 0.461 0.020 . 1 . . . A 129 ILE HD13 . 25803 1 417 . 1 1 35 35 ILE C C 13 174.699 0.200 . 1 . . . A 129 ILE C . 25803 1 418 . 1 1 35 35 ILE CA C 13 61.600 0.200 . 1 . . . A 129 ILE CA . 25803 1 419 . 1 1 35 35 ILE CB C 13 33.160 0.200 . 1 . . . A 129 ILE CB . 25803 1 420 . 1 1 35 35 ILE CG1 C 13 25.802 0.200 . 1 . . . A 129 ILE CG1 . 25803 1 421 . 1 1 35 35 ILE CG2 C 13 14.611 0.200 . 1 . . . A 129 ILE CG2 . 25803 1 422 . 1 1 35 35 ILE CD1 C 13 8.495 0.200 . 1 . . . A 129 ILE CD1 . 25803 1 423 . 1 1 35 35 ILE N N 15 119.087 0.200 . 1 . . . A 129 ILE N . 25803 1 424 . 1 1 36 36 ALA H H 1 7.414 0.020 . 1 . . . A 130 ALA H . 25803 1 425 . 1 1 36 36 ALA HA H 1 4.229 0.020 . 1 . . . A 130 ALA HA . 25803 1 426 . 1 1 36 36 ALA HB1 H 1 1.486 0.020 . 1 . . . A 130 ALA HB1 . 25803 1 427 . 1 1 36 36 ALA HB2 H 1 1.486 0.020 . 1 . . . A 130 ALA HB2 . 25803 1 428 . 1 1 36 36 ALA HB3 H 1 1.486 0.020 . 1 . . . A 130 ALA HB3 . 25803 1 429 . 1 1 36 36 ALA C C 13 178.076 0.200 . 1 . . . A 130 ALA C . 25803 1 430 . 1 1 36 36 ALA CA C 13 52.675 0.200 . 1 . . . A 130 ALA CA . 25803 1 431 . 1 1 36 36 ALA CB C 13 15.091 0.200 . 1 . . . A 130 ALA CB . 25803 1 432 . 1 1 36 36 ALA N N 15 121.150 0.200 . 1 . . . A 130 ALA N . 25803 1 433 . 1 1 37 37 LEU H H 1 7.411 0.020 . 1 . . . A 131 LEU H . 25803 1 434 . 1 1 37 37 LEU HA H 1 4.133 0.020 . 1 . . . A 131 LEU HA . 25803 1 435 . 1 1 37 37 LEU HB2 H 1 1.956 0.020 . 2 . . . A 131 LEU HB2 . 25803 1 436 . 1 1 37 37 LEU HB3 H 1 1.655 0.020 . 2 . . . A 131 LEU HB3 . 25803 1 437 . 1 1 37 37 LEU HG H 1 1.630 0.020 . 1 . . . A 131 LEU HG . 25803 1 438 . 1 1 37 37 LEU HD11 H 1 0.818 0.020 . 2 . . . A 131 LEU HD11 . 25803 1 439 . 1 1 37 37 LEU HD12 H 1 0.818 0.020 . 2 . . . A 131 LEU HD12 . 25803 1 440 . 1 1 37 37 LEU HD13 H 1 0.818 0.020 . 2 . . . A 131 LEU HD13 . 25803 1 441 . 1 1 37 37 LEU HD21 H 1 0.744 0.020 . 2 . . . A 131 LEU HD21 . 25803 1 442 . 1 1 37 37 LEU HD22 H 1 0.744 0.020 . 2 . . . A 131 LEU HD22 . 25803 1 443 . 1 1 37 37 LEU HD23 H 1 0.744 0.020 . 2 . . . A 131 LEU HD23 . 25803 1 444 . 1 1 37 37 LEU C C 13 175.953 0.200 . 1 . . . A 131 LEU C . 25803 1 445 . 1 1 37 37 LEU CA C 13 55.738 0.200 . 1 . . . A 131 LEU CA . 25803 1 446 . 1 1 37 37 LEU CB C 13 39.175 0.200 . 1 . . . A 131 LEU CB . 25803 1 447 . 1 1 37 37 LEU CG C 13 24.449 0.200 . 1 . . . A 131 LEU CG . 25803 1 448 . 1 1 37 37 LEU CD1 C 13 22.191 0.200 . 2 . . . A 131 LEU CD1 . 25803 1 449 . 1 1 37 37 LEU CD2 C 13 22.177 0.200 . 2 . . . A 131 LEU CD2 . 25803 1 450 . 1 1 37 37 LEU N N 15 122.122 0.200 . 1 . . . A 131 LEU N . 25803 1 451 . 1 1 38 38 LEU H H 1 8.393 0.020 . 1 . . . A 132 LEU H . 25803 1 452 . 1 1 38 38 LEU HA H 1 3.720 0.020 . 1 . . . A 132 LEU HA . 25803 1 453 . 1 1 38 38 LEU HB2 H 1 1.666 0.020 . 2 . . . A 132 LEU HB2 . 25803 1 454 . 1 1 38 38 LEU HB3 H 1 0.955 0.020 . 2 . . . A 132 LEU HB3 . 25803 1 455 . 1 1 38 38 LEU HG H 1 1.816 0.020 . 1 . . . A 132 LEU HG . 25803 1 456 . 1 1 38 38 LEU HD11 H 1 0.317 0.020 . 2 . . . A 132 LEU HD11 . 25803 1 457 . 1 1 38 38 LEU HD12 H 1 0.317 0.020 . 2 . . . A 132 LEU HD12 . 25803 1 458 . 1 1 38 38 LEU HD13 H 1 0.317 0.020 . 2 . . . A 132 LEU HD13 . 25803 1 459 . 1 1 38 38 LEU HD21 H 1 0.551 0.020 . 2 . . . A 132 LEU HD21 . 25803 1 460 . 1 1 38 38 LEU HD22 H 1 0.551 0.020 . 2 . . . A 132 LEU HD22 . 25803 1 461 . 1 1 38 38 LEU HD23 H 1 0.551 0.020 . 2 . . . A 132 LEU HD23 . 25803 1 462 . 1 1 38 38 LEU C C 13 178.439 0.200 . 1 . . . A 132 LEU C . 25803 1 463 . 1 1 38 38 LEU CA C 13 54.750 0.200 . 1 . . . A 132 LEU CA . 25803 1 464 . 1 1 38 38 LEU CB C 13 37.945 0.200 . 1 . . . A 132 LEU CB . 25803 1 465 . 1 1 38 38 LEU CG C 13 23.451 0.200 . 1 . . . A 132 LEU CG . 25803 1 466 . 1 1 38 38 LEU CD1 C 13 23.565 0.200 . 2 . . . A 132 LEU CD1 . 25803 1 467 . 1 1 38 38 LEU CD2 C 13 20.392 0.200 . 2 . . . A 132 LEU CD2 . 25803 1 468 . 1 1 38 38 LEU N N 15 118.373 0.200 . 1 . . . A 132 LEU N . 25803 1 469 . 1 1 39 39 GLN H H 1 8.879 0.020 . 1 . . . A 133 GLN H . 25803 1 470 . 1 1 39 39 GLN HA H 1 4.671 0.020 . 1 . . . A 133 GLN HA . 25803 1 471 . 1 1 39 39 GLN HB2 H 1 2.313 0.020 . 2 . . . A 133 GLN HB2 . 25803 1 472 . 1 1 39 39 GLN HB3 H 1 2.178 0.020 . 2 . . . A 133 GLN HB3 . 25803 1 473 . 1 1 39 39 GLN HG2 H 1 2.683 0.020 . 2 . . . A 133 GLN HG2 . 25803 1 474 . 1 1 39 39 GLN HG3 H 1 2.495 0.020 . 2 . . . A 133 GLN HG3 . 25803 1 475 . 1 1 39 39 GLN HE21 H 1 7.423 0.020 . 2 . . . A 133 GLN HE21 . 25803 1 476 . 1 1 39 39 GLN HE22 H 1 6.920 0.020 . 2 . . . A 133 GLN HE22 . 25803 1 477 . 1 1 39 39 GLN C C 13 174.767 0.200 . 1 . . . A 133 GLN C . 25803 1 478 . 1 1 39 39 GLN CA C 13 55.942 0.200 . 1 . . . A 133 GLN CA . 25803 1 479 . 1 1 39 39 GLN CB C 13 26.894 0.200 . 1 . . . A 133 GLN CB . 25803 1 480 . 1 1 39 39 GLN CG C 13 31.827 0.200 . 1 . . . A 133 GLN CG . 25803 1 481 . 1 1 39 39 GLN N N 15 121.342 0.200 . 1 . . . A 133 GLN N . 25803 1 482 . 1 1 39 39 GLN NE2 N 15 111.036 0.200 . 1 . . . A 133 GLN NE2 . 25803 1 483 . 1 1 40 40 ALA H H 1 7.446 0.020 . 1 . . . A 134 ALA H . 25803 1 484 . 1 1 40 40 ALA HA H 1 4.157 0.020 . 1 . . . A 134 ALA HA . 25803 1 485 . 1 1 40 40 ALA HB1 H 1 1.448 0.020 . 1 . . . A 134 ALA HB1 . 25803 1 486 . 1 1 40 40 ALA HB2 H 1 1.448 0.020 . 1 . . . A 134 ALA HB2 . 25803 1 487 . 1 1 40 40 ALA HB3 H 1 1.448 0.020 . 1 . . . A 134 ALA HB3 . 25803 1 488 . 1 1 40 40 ALA C C 13 177.346 0.200 . 1 . . . A 134 ALA C . 25803 1 489 . 1 1 40 40 ALA CA C 13 52.093 0.200 . 1 . . . A 134 ALA CA . 25803 1 490 . 1 1 40 40 ALA CB C 13 16.159 0.200 . 1 . . . A 134 ALA CB . 25803 1 491 . 1 1 40 40 ALA N N 15 121.096 0.200 . 1 . . . A 134 ALA N . 25803 1 492 . 1 1 41 41 ASP H H 1 8.422 0.020 . 1 . . . A 135 ASP H . 25803 1 493 . 1 1 41 41 ASP HA H 1 4.781 0.020 . 1 . . . A 135 ASP HA . 25803 1 494 . 1 1 41 41 ASP HB2 H 1 2.491 0.020 . 2 . . . A 135 ASP HB2 . 25803 1 495 . 1 1 41 41 ASP HB3 H 1 2.442 0.020 . 2 . . . A 135 ASP HB3 . 25803 1 496 . 1 1 41 41 ASP C C 13 175.627 0.200 . 1 . . . A 135 ASP C . 25803 1 497 . 1 1 41 41 ASP CA C 13 53.144 0.200 . 1 . . . A 135 ASP CA . 25803 1 498 . 1 1 41 41 ASP CB C 13 40.130 0.200 . 1 . . . A 135 ASP CB . 25803 1 499 . 1 1 41 41 ASP N N 15 114.176 0.200 . 1 . . . A 135 ASP N . 25803 1 500 . 1 1 42 42 CYS H H 1 7.675 0.020 . 1 . . . A 136 CYS H . 25803 1 501 . 1 1 42 42 CYS HA H 1 4.115 0.020 . 1 . . . A 136 CYS HA . 25803 1 502 . 1 1 42 42 CYS HB2 H 1 2.679 0.020 . 2 . . . A 136 CYS HB2 . 25803 1 503 . 1 1 42 42 CYS HB3 H 1 2.333 0.020 . 2 . . . A 136 CYS HB3 . 25803 1 504 . 1 1 42 42 CYS C C 13 171.829 0.200 . 1 . . . A 136 CYS C . 25803 1 505 . 1 1 42 42 CYS CA C 13 54.206 0.200 . 1 . . . A 136 CYS CA . 25803 1 506 . 1 1 42 42 CYS CB C 13 26.851 0.200 . 1 . . . A 136 CYS CB . 25803 1 507 . 1 1 42 42 CYS N N 15 114.632 0.200 . 1 . . . A 136 CYS N . 25803 1 508 . 1 1 43 43 GLY H H 1 7.829 0.020 . 1 . . . A 137 GLY H . 25803 1 509 . 1 1 43 43 GLY HA2 H 1 3.754 0.020 . 2 . . . A 137 GLY HA2 . 25803 1 510 . 1 1 43 43 GLY HA3 H 1 3.754 0.020 . 2 . . . A 137 GLY HA3 . 25803 1 511 . 1 1 43 43 GLY C C 13 171.901 0.200 . 1 . . . A 137 GLY C . 25803 1 512 . 1 1 43 43 GLY CA C 13 43.718 0.200 . 1 . . . A 137 GLY CA . 25803 1 513 . 1 1 43 43 GLY N N 15 106.852 0.200 . 1 . . . A 137 GLY N . 25803 1 514 . 1 1 44 44 PHE H H 1 7.339 0.020 . 1 . . . A 138 PHE H . 25803 1 515 . 1 1 44 44 PHE HA H 1 4.484 0.020 . 1 . . . A 138 PHE HA . 25803 1 516 . 1 1 44 44 PHE HB2 H 1 2.440 0.020 . 2 . . . A 138 PHE HB2 . 25803 1 517 . 1 1 44 44 PHE HB3 H 1 2.369 0.020 . 2 . . . A 138 PHE HB3 . 25803 1 518 . 1 1 44 44 PHE HD1 H 1 6.937 0.020 . 3 . . . A 138 PHE HD1 . 25803 1 519 . 1 1 44 44 PHE HD2 H 1 6.937 0.020 . 3 . . . A 138 PHE HD2 . 25803 1 520 . 1 1 44 44 PHE HE1 H 1 7.039 0.020 . 3 . . . A 138 PHE HE1 . 25803 1 521 . 1 1 44 44 PHE HE2 H 1 7.039 0.020 . 3 . . . A 138 PHE HE2 . 25803 1 522 . 1 1 44 44 PHE HZ H 1 7.266 0.020 . 1 . . . A 138 PHE HZ . 25803 1 523 . 1 1 44 44 PHE C C 13 171.363 0.200 . 1 . . . A 138 PHE C . 25803 1 524 . 1 1 44 44 PHE CA C 13 55.646 0.200 . 1 . . . A 138 PHE CA . 25803 1 525 . 1 1 44 44 PHE CB C 13 38.335 0.200 . 1 . . . A 138 PHE CB . 25803 1 526 . 1 1 44 44 PHE N N 15 120.603 0.200 . 1 . . . A 138 PHE N . 25803 1 527 . 1 1 45 45 ASP H H 1 10.624 0.020 . 1 . . . A 139 ASP H . 25803 1 528 . 1 1 45 45 ASP HA H 1 4.649 0.020 . 1 . . . A 139 ASP HA . 25803 1 529 . 1 1 45 45 ASP HB2 H 1 2.153 0.020 . 2 . . . A 139 ASP HB2 . 25803 1 530 . 1 1 45 45 ASP HB3 H 1 2.043 0.020 . 2 . . . A 139 ASP HB3 . 25803 1 531 . 1 1 45 45 ASP C C 13 173.524 0.200 . 1 . . . A 139 ASP C . 25803 1 532 . 1 1 45 45 ASP CA C 13 49.009 0.200 . 1 . . . A 139 ASP CA . 25803 1 533 . 1 1 45 45 ASP CB C 13 39.445 0.200 . 1 . . . A 139 ASP CB . 25803 1 534 . 1 1 45 45 ASP N N 15 133.493 0.200 . 1 . . . A 139 ASP N . 25803 1 535 . 1 1 46 46 LYS H H 1 8.858 0.020 . 1 . . . A 140 LYS H . 25803 1 536 . 1 1 46 46 LYS HA H 1 3.972 0.020 . 1 . . . A 140 LYS HA . 25803 1 537 . 1 1 46 46 LYS HB2 H 1 1.918 0.020 . 2 . . . A 140 LYS HB2 . 25803 1 538 . 1 1 46 46 LYS HB3 H 1 1.782 0.020 . 2 . . . A 140 LYS HB3 . 25803 1 539 . 1 1 46 46 LYS HG2 H 1 1.555 0.020 . 2 . . . A 140 LYS HG2 . 25803 1 540 . 1 1 46 46 LYS HG3 H 1 1.385 0.020 . 2 . . . A 140 LYS HG3 . 25803 1 541 . 1 1 46 46 LYS HD2 H 1 1.658 0.020 . 2 . . . A 140 LYS HD2 . 25803 1 542 . 1 1 46 46 LYS HD3 H 1 1.658 0.020 . 2 . . . A 140 LYS HD3 . 25803 1 543 . 1 1 46 46 LYS HE2 H 1 2.902 0.020 . 2 . . . A 140 LYS HE2 . 25803 1 544 . 1 1 46 46 LYS HE3 H 1 2.902 0.020 . 2 . . . A 140 LYS HE3 . 25803 1 545 . 1 1 46 46 LYS C C 13 174.182 0.200 . 1 . . . A 140 LYS C . 25803 1 546 . 1 1 46 46 LYS CA C 13 55.738 0.200 . 1 . . . A 140 LYS CA . 25803 1 547 . 1 1 46 46 LYS CB C 13 29.829 0.200 . 1 . . . A 140 LYS CB . 25803 1 548 . 1 1 46 46 LYS CG C 13 21.966 0.200 . 1 . . . A 140 LYS CG . 25803 1 549 . 1 1 46 46 LYS CD C 13 27.035 0.200 . 1 . . . A 140 LYS CD . 25803 1 550 . 1 1 46 46 LYS CE C 13 39.090 0.200 . 1 . . . A 140 LYS CE . 25803 1 551 . 1 1 46 46 LYS N N 15 124.540 0.200 . 1 . . . A 140 LYS N . 25803 1 552 . 1 1 47 47 THR H H 1 8.477 0.020 . 1 . . . A 141 THR H . 25803 1 553 . 1 1 47 47 THR HA H 1 4.200 0.020 . 1 . . . A 141 THR HA . 25803 1 554 . 1 1 47 47 THR HB H 1 4.085 0.020 . 1 . . . A 141 THR HB . 25803 1 555 . 1 1 47 47 THR HG21 H 1 1.109 0.020 . 1 . . . A 141 THR HG21 . 25803 1 556 . 1 1 47 47 THR HG22 H 1 1.109 0.020 . 1 . . . A 141 THR HG22 . 25803 1 557 . 1 1 47 47 THR HG23 H 1 1.109 0.020 . 1 . . . A 141 THR HG23 . 25803 1 558 . 1 1 47 47 THR C C 13 172.694 0.200 . 1 . . . A 141 THR C . 25803 1 559 . 1 1 47 47 THR CA C 13 60.690 0.200 . 1 . . . A 141 THR CA . 25803 1 560 . 1 1 47 47 THR CB C 13 66.700 0.200 . 1 . . . A 141 THR CB . 25803 1 561 . 1 1 47 47 THR CG2 C 13 19.110 0.200 . 1 . . . A 141 THR CG2 . 25803 1 562 . 1 1 47 47 THR N N 15 109.766 0.200 . 1 . . . A 141 THR N . 25803 1 563 . 1 1 48 48 LYS H H 1 7.078 0.020 . 1 . . . A 142 LYS H . 25803 1 564 . 1 1 48 48 LYS HA H 1 4.293 0.020 . 1 . . . A 142 LYS HA . 25803 1 565 . 1 1 48 48 LYS HB2 H 1 1.378 0.020 . 2 . . . A 142 LYS HB2 . 25803 1 566 . 1 1 48 48 LYS HB3 H 1 0.616 0.020 . 2 . . . A 142 LYS HB3 . 25803 1 567 . 1 1 48 48 LYS HG2 H 1 0.913 0.020 . 2 . . . A 142 LYS HG2 . 25803 1 568 . 1 1 48 48 LYS HG3 H 1 0.913 0.020 . 2 . . . A 142 LYS HG3 . 25803 1 569 . 1 1 48 48 LYS HD2 H 1 1.385 0.020 . 2 . . . A 142 LYS HD2 . 25803 1 570 . 1 1 48 48 LYS HD3 H 1 1.263 0.020 . 2 . . . A 142 LYS HD3 . 25803 1 571 . 1 1 48 48 LYS HE2 H 1 2.727 0.020 . 2 . . . A 142 LYS HE2 . 25803 1 572 . 1 1 48 48 LYS HE3 H 1 2.727 0.020 . 2 . . . A 142 LYS HE3 . 25803 1 573 . 1 1 48 48 LYS C C 13 173.009 0.200 . 1 . . . A 142 LYS C . 25803 1 574 . 1 1 48 48 LYS CA C 13 53.557 0.200 . 1 . . . A 142 LYS CA . 25803 1 575 . 1 1 48 48 LYS CB C 13 33.173 0.200 . 1 . . . A 142 LYS CB . 25803 1 576 . 1 1 48 48 LYS CG C 13 21.636 0.200 . 1 . . . A 142 LYS CG . 25803 1 577 . 1 1 48 48 LYS CD C 13 26.260 0.200 . 1 . . . A 142 LYS CD . 25803 1 578 . 1 1 48 48 LYS CE C 13 39.195 0.200 . 1 . . . A 142 LYS CE . 25803 1 579 . 1 1 48 48 LYS N N 15 118.834 0.200 . 1 . . . A 142 LYS N . 25803 1 580 . 1 1 49 49 HIS H H 1 8.044 0.020 . 1 . . . A 143 HIS H . 25803 1 581 . 1 1 49 49 HIS HA H 1 5.411 0.020 . 1 . . . A 143 HIS HA . 25803 1 582 . 1 1 49 49 HIS HB2 H 1 2.713 0.020 . 2 . . . A 143 HIS HB2 . 25803 1 583 . 1 1 49 49 HIS HB3 H 1 2.060 0.020 . 2 . . . A 143 HIS HB3 . 25803 1 584 . 1 1 49 49 HIS HD2 H 1 6.437 0.020 . 1 . . . A 143 HIS HD2 . 25803 1 585 . 1 1 49 49 HIS C C 13 170.614 0.200 . 1 . . . A 143 HIS C . 25803 1 586 . 1 1 49 49 HIS CA C 13 51.177 0.200 . 1 . . . A 143 HIS CA . 25803 1 587 . 1 1 49 49 HIS CB C 13 33.980 0.200 . 1 . . . A 143 HIS CB . 25803 1 588 . 1 1 49 49 HIS N N 15 121.743 0.200 . 1 . . . A 143 HIS N . 25803 1 589 . 1 1 50 50 ASP H H 1 9.037 0.020 . 1 . . . A 144 ASP H . 25803 1 590 . 1 1 50 50 ASP HA H 1 5.194 0.020 . 1 . . . A 144 ASP HA . 25803 1 591 . 1 1 50 50 ASP HB2 H 1 2.411 0.020 . 2 . . . A 144 ASP HB2 . 25803 1 592 . 1 1 50 50 ASP HB3 H 1 2.411 0.020 . 2 . . . A 144 ASP HB3 . 25803 1 593 . 1 1 50 50 ASP C C 13 171.326 0.200 . 1 . . . A 144 ASP C . 25803 1 594 . 1 1 50 50 ASP CA C 13 50.729 0.200 . 1 . . . A 144 ASP CA . 25803 1 595 . 1 1 50 50 ASP CB C 13 44.169 0.200 . 1 . . . A 144 ASP CB . 25803 1 596 . 1 1 50 50 ASP N N 15 118.538 0.200 . 1 . . . A 144 ASP N . 25803 1 597 . 1 1 51 51 LEU H H 1 9.211 0.020 . 1 . . . A 145 LEU H . 25803 1 598 . 1 1 51 51 LEU HA H 1 5.195 0.020 . 1 . . . A 145 LEU HA . 25803 1 599 . 1 1 51 51 LEU HB2 H 1 1.783 0.020 . 2 . . . A 145 LEU HB2 . 25803 1 600 . 1 1 51 51 LEU HB3 H 1 1.160 0.020 . 2 . . . A 145 LEU HB3 . 25803 1 601 . 1 1 51 51 LEU HG H 1 1.341 0.020 . 1 . . . A 145 LEU HG . 25803 1 602 . 1 1 51 51 LEU HD11 H 1 0.397 0.020 . 2 . . . A 145 LEU HD11 . 25803 1 603 . 1 1 51 51 LEU HD12 H 1 0.397 0.020 . 2 . . . A 145 LEU HD12 . 25803 1 604 . 1 1 51 51 LEU HD13 H 1 0.397 0.020 . 2 . . . A 145 LEU HD13 . 25803 1 605 . 1 1 51 51 LEU HD21 H 1 0.546 0.020 . 2 . . . A 145 LEU HD21 . 25803 1 606 . 1 1 51 51 LEU HD22 H 1 0.546 0.020 . 2 . . . A 145 LEU HD22 . 25803 1 607 . 1 1 51 51 LEU HD23 H 1 0.546 0.020 . 2 . . . A 145 LEU HD23 . 25803 1 608 . 1 1 51 51 LEU C C 13 172.097 0.200 . 1 . . . A 145 LEU C . 25803 1 609 . 1 1 51 51 LEU CA C 13 50.489 0.200 . 1 . . . A 145 LEU CA . 25803 1 610 . 1 1 51 51 LEU CB C 13 42.073 0.200 . 1 . . . A 145 LEU CB . 25803 1 611 . 1 1 51 51 LEU CG C 13 23.702 0.200 . 1 . . . A 145 LEU CG . 25803 1 612 . 1 1 51 51 LEU CD1 C 13 23.297 0.200 . 2 . . . A 145 LEU CD1 . 25803 1 613 . 1 1 51 51 LEU CD2 C 13 21.361 0.200 . 2 . . . A 145 LEU CD2 . 25803 1 614 . 1 1 51 51 LEU N N 15 123.222 0.200 . 1 . . . A 145 LEU N . 25803 1 615 . 1 1 52 52 TYR H H 1 9.729 0.020 . 1 . . . A 146 TYR H . 25803 1 616 . 1 1 52 52 TYR HA H 1 5.125 0.020 . 1 . . . A 146 TYR HA . 25803 1 617 . 1 1 52 52 TYR HB2 H 1 2.886 0.020 . 2 . . . A 146 TYR HB2 . 25803 1 618 . 1 1 52 52 TYR HB3 H 1 2.668 0.020 . 2 . . . A 146 TYR HB3 . 25803 1 619 . 1 1 52 52 TYR HD1 H 1 6.775 0.020 . 3 . . . A 146 TYR HD1 . 25803 1 620 . 1 1 52 52 TYR HD2 H 1 6.775 0.020 . 3 . . . A 146 TYR HD2 . 25803 1 621 . 1 1 52 52 TYR HE1 H 1 6.698 0.020 . 3 . . . A 146 TYR HE1 . 25803 1 622 . 1 1 52 52 TYR HE2 H 1 6.698 0.020 . 3 . . . A 146 TYR HE2 . 25803 1 623 . 1 1 52 52 TYR C C 13 172.960 0.200 . 1 . . . A 146 TYR C . 25803 1 624 . 1 1 52 52 TYR CA C 13 54.224 0.200 . 1 . . . A 146 TYR CA . 25803 1 625 . 1 1 52 52 TYR CB C 13 39.521 0.200 . 1 . . . A 146 TYR CB . 25803 1 626 . 1 1 52 52 TYR N N 15 124.523 0.200 . 1 . . . A 146 TYR N . 25803 1 627 . 1 1 53 53 TYR H H 1 8.847 0.020 . 1 . . . A 147 TYR H . 25803 1 628 . 1 1 53 53 TYR HA H 1 4.981 0.020 . 1 . . . A 147 TYR HA . 25803 1 629 . 1 1 53 53 TYR HB2 H 1 2.770 0.020 . 2 . . . A 147 TYR HB2 . 25803 1 630 . 1 1 53 53 TYR HB3 H 1 2.770 0.020 . 2 . . . A 147 TYR HB3 . 25803 1 631 . 1 1 53 53 TYR HD1 H 1 7.091 0.020 . 3 . . . A 147 TYR HD1 . 25803 1 632 . 1 1 53 53 TYR HD2 H 1 7.091 0.020 . 3 . . . A 147 TYR HD2 . 25803 1 633 . 1 1 53 53 TYR HE1 H 1 6.712 0.020 . 3 . . . A 147 TYR HE1 . 25803 1 634 . 1 1 53 53 TYR HE2 H 1 6.712 0.020 . 3 . . . A 147 TYR HE2 . 25803 1 635 . 1 1 53 53 TYR C C 13 172.603 0.200 . 1 . . . A 147 TYR C . 25803 1 636 . 1 1 53 53 TYR CA C 13 53.023 0.200 . 1 . . . A 147 TYR CA . 25803 1 637 . 1 1 53 53 TYR CB C 13 37.861 0.200 . 1 . . . A 147 TYR CB . 25803 1 638 . 1 1 53 53 TYR N N 15 120.278 0.200 . 1 . . . A 147 TYR N . 25803 1 639 . 1 1 54 54 ASN H H 1 9.240 0.020 . 1 . . . A 148 ASN H . 25803 1 640 . 1 1 54 54 ASN HA H 1 3.931 0.020 . 1 . . . A 148 ASN HA . 25803 1 641 . 1 1 54 54 ASN HB2 H 1 2.705 0.020 . 2 . . . A 148 ASN HB2 . 25803 1 642 . 1 1 54 54 ASN HB3 H 1 2.375 0.020 . 2 . . . A 148 ASN HB3 . 25803 1 643 . 1 1 54 54 ASN HD21 H 1 6.976 0.020 . 2 . . . A 148 ASN HD21 . 25803 1 644 . 1 1 54 54 ASN HD22 H 1 6.558 0.020 . 2 . . . A 148 ASN HD22 . 25803 1 645 . 1 1 54 54 ASN C C 13 171.666 0.200 . 1 . . . A 148 ASN C . 25803 1 646 . 1 1 54 54 ASN CA C 13 52.146 0.200 . 1 . . . A 148 ASN CA . 25803 1 647 . 1 1 54 54 ASN CB C 13 33.744 0.200 . 1 . . . A 148 ASN CB . 25803 1 648 . 1 1 54 54 ASN N N 15 127.571 0.200 . 1 . . . A 148 ASN N . 25803 1 649 . 1 1 54 54 ASN ND2 N 15 113.160 0.200 . 1 . . . A 148 ASN ND2 . 25803 1 650 . 1 1 55 55 MET H H 1 8.435 0.020 . 1 . . . A 149 MET H . 25803 1 651 . 1 1 55 55 MET HA H 1 4.332 0.020 . 1 . . . A 149 MET HA . 25803 1 652 . 1 1 55 55 MET HB2 H 1 2.563 0.020 . 2 . . . A 149 MET HB2 . 25803 1 653 . 1 1 55 55 MET HB3 H 1 2.380 0.020 . 2 . . . A 149 MET HB3 . 25803 1 654 . 1 1 55 55 MET HG2 H 1 2.245 0.020 . 2 . . . A 149 MET HG2 . 25803 1 655 . 1 1 55 55 MET HG3 H 1 2.128 0.020 . 2 . . . A 149 MET HG3 . 25803 1 656 . 1 1 55 55 MET HE1 H 1 1.972 0.020 . 1 . . . A 149 MET HE1 . 25803 1 657 . 1 1 55 55 MET HE2 H 1 1.972 0.020 . 1 . . . A 149 MET HE2 . 25803 1 658 . 1 1 55 55 MET HE3 H 1 1.972 0.020 . 1 . . . A 149 MET HE3 . 25803 1 659 . 1 1 55 55 MET C C 13 172.569 0.200 . 1 . . . A 149 MET C . 25803 1 660 . 1 1 55 55 MET CA C 13 53.375 0.200 . 1 . . . A 149 MET CA . 25803 1 661 . 1 1 55 55 MET CB C 13 29.579 0.200 . 1 . . . A 149 MET CB . 25803 1 662 . 1 1 55 55 MET CG C 13 28.237 0.200 . 1 . . . A 149 MET CG . 25803 1 663 . 1 1 55 55 MET CE C 13 13.918 0.200 . 1 . . . A 149 MET CE . 25803 1 664 . 1 1 55 55 MET N N 15 114.800 0.200 . 1 . . . A 149 MET N . 25803 1 665 . 1 1 56 56 ASP H H 1 8.049 0.020 . 1 . . . A 150 ASP H . 25803 1 666 . 1 1 56 56 ASP HA H 1 4.901 0.020 . 1 . . . A 150 ASP HA . 25803 1 667 . 1 1 56 56 ASP HB2 H 1 2.673 0.020 . 2 . . . A 150 ASP HB2 . 25803 1 668 . 1 1 56 56 ASP HB3 H 1 2.561 0.020 . 2 . . . A 150 ASP HB3 . 25803 1 669 . 1 1 56 56 ASP C C 13 171.523 0.200 . 1 . . . A 150 ASP C . 25803 1 670 . 1 1 56 56 ASP CA C 13 50.774 0.200 . 1 . . . A 150 ASP CA . 25803 1 671 . 1 1 56 56 ASP CB C 13 40.618 0.200 . 1 . . . A 150 ASP CB . 25803 1 672 . 1 1 56 56 ASP N N 15 120.771 0.200 . 1 . . . A 150 ASP N . 25803 1 673 . 1 1 57 57 ILE H H 1 8.167 0.020 . 1 . . . A 151 ILE H . 25803 1 674 . 1 1 57 57 ILE HA H 1 3.432 0.020 . 1 . . . A 151 ILE HA . 25803 1 675 . 1 1 57 57 ILE HB H 1 1.308 0.020 . 1 . . . A 151 ILE HB . 25803 1 676 . 1 1 57 57 ILE HG12 H 1 0.995 0.020 . 2 . . . A 151 ILE HG12 . 25803 1 677 . 1 1 57 57 ILE HG13 H 1 0.056 0.020 . 2 . . . A 151 ILE HG13 . 25803 1 678 . 1 1 57 57 ILE HG21 H 1 0.597 0.020 . 1 . . . A 151 ILE HG21 . 25803 1 679 . 1 1 57 57 ILE HG22 H 1 0.597 0.020 . 1 . . . A 151 ILE HG22 . 25803 1 680 . 1 1 57 57 ILE HG23 H 1 0.597 0.020 . 1 . . . A 151 ILE HG23 . 25803 1 681 . 1 1 57 57 ILE HD11 H 1 0.676 0.020 . 1 . . . A 151 ILE HD11 . 25803 1 682 . 1 1 57 57 ILE HD12 H 1 0.676 0.020 . 1 . . . A 151 ILE HD12 . 25803 1 683 . 1 1 57 57 ILE HD13 H 1 0.676 0.020 . 1 . . . A 151 ILE HD13 . 25803 1 684 . 1 1 57 57 ILE C C 13 173.911 0.200 . 1 . . . A 151 ILE C . 25803 1 685 . 1 1 57 57 ILE CA C 13 58.923 0.200 . 1 . . . A 151 ILE CA . 25803 1 686 . 1 1 57 57 ILE CB C 13 36.323 0.200 . 1 . . . A 151 ILE CB . 25803 1 687 . 1 1 57 57 ILE CG1 C 13 26.632 0.200 . 1 . . . A 151 ILE CG1 . 25803 1 688 . 1 1 57 57 ILE CG2 C 13 14.089 0.200 . 1 . . . A 151 ILE CG2 . 25803 1 689 . 1 1 57 57 ILE CD1 C 13 11.123 0.200 . 1 . . . A 151 ILE CD1 . 25803 1 690 . 1 1 57 57 ILE N N 15 122.426 0.200 . 1 . . . A 151 ILE N . 25803 1 691 . 1 1 58 58 LEU H H 1 8.879 0.020 . 1 . . . A 152 LEU H . 25803 1 692 . 1 1 58 58 LEU HA H 1 4.347 0.020 . 1 . . . A 152 LEU HA . 25803 1 693 . 1 1 58 58 LEU HB2 H 1 1.556 0.020 . 2 . . . A 152 LEU HB2 . 25803 1 694 . 1 1 58 58 LEU HB3 H 1 1.094 0.020 . 2 . . . A 152 LEU HB3 . 25803 1 695 . 1 1 58 58 LEU HG H 1 1.528 0.020 . 1 . . . A 152 LEU HG . 25803 1 696 . 1 1 58 58 LEU HD11 H 1 0.659 0.020 . 2 . . . A 152 LEU HD11 . 25803 1 697 . 1 1 58 58 LEU HD12 H 1 0.659 0.020 . 2 . . . A 152 LEU HD12 . 25803 1 698 . 1 1 58 58 LEU HD13 H 1 0.659 0.020 . 2 . . . A 152 LEU HD13 . 25803 1 699 . 1 1 58 58 LEU HD21 H 1 0.753 0.020 . 2 . . . A 152 LEU HD21 . 25803 1 700 . 1 1 58 58 LEU HD22 H 1 0.753 0.020 . 2 . . . A 152 LEU HD22 . 25803 1 701 . 1 1 58 58 LEU HD23 H 1 0.753 0.020 . 2 . . . A 152 LEU HD23 . 25803 1 702 . 1 1 58 58 LEU C C 13 171.941 0.200 . 1 . . . A 152 LEU C . 25803 1 703 . 1 1 58 58 LEU CA C 13 50.434 0.200 . 1 . . . A 152 LEU CA . 25803 1 704 . 1 1 58 58 LEU CB C 13 39.131 0.200 . 1 . . . A 152 LEU CB . 25803 1 705 . 1 1 58 58 LEU CG C 13 23.841 0.200 . 1 . . . A 152 LEU CG . 25803 1 706 . 1 1 58 58 LEU CD1 C 13 22.935 0.200 . 2 . . . A 152 LEU CD1 . 25803 1 707 . 1 1 58 58 LEU CD2 C 13 20.957 0.200 . 2 . . . A 152 LEU CD2 . 25803 1 708 . 1 1 58 58 LEU N N 15 130.060 0.200 . 1 . . . A 152 LEU N . 25803 1 709 . 1 1 59 59 ASP H H 1 8.263 0.020 . 1 . . . A 153 ASP H . 25803 1 710 . 1 1 59 59 ASP HA H 1 4.401 0.020 . 1 . . . A 153 ASP HA . 25803 1 711 . 1 1 59 59 ASP HB2 H 1 2.586 0.020 . 2 . . . A 153 ASP HB2 . 25803 1 712 . 1 1 59 59 ASP HB3 H 1 2.586 0.020 . 2 . . . A 153 ASP HB3 . 25803 1 713 . 1 1 59 59 ASP C C 13 173.776 0.200 . 1 . . . A 153 ASP C . 25803 1 714 . 1 1 59 59 ASP CA C 13 51.498 0.200 . 1 . . . A 153 ASP CA . 25803 1 715 . 1 1 59 59 ASP CB C 13 39.232 0.200 . 1 . . . A 153 ASP CB . 25803 1 716 . 1 1 59 59 ASP N N 15 123.724 0.200 . 1 . . . A 153 ASP N . 25803 1 717 . 1 1 60 60 SER H H 1 8.148 0.020 . 1 . . . A 154 SER H . 25803 1 718 . 1 1 60 60 SER HA H 1 3.946 0.020 . 1 . . . A 154 SER HA . 25803 1 719 . 1 1 60 60 SER HB2 H 1 4.041 0.020 . 2 . . . A 154 SER HB2 . 25803 1 720 . 1 1 60 60 SER HB3 H 1 3.925 0.020 . 2 . . . A 154 SER HB3 . 25803 1 721 . 1 1 60 60 SER C C 13 171.147 0.200 . 1 . . . A 154 SER C . 25803 1 722 . 1 1 60 60 SER CA C 13 57.414 0.200 . 1 . . . A 154 SER CA . 25803 1 723 . 1 1 60 60 SER CB C 13 60.625 0.200 . 1 . . . A 154 SER CB . 25803 1 724 . 1 1 60 60 SER N N 15 118.520 0.200 . 1 . . . A 154 SER N . 25803 1 725 . 1 1 61 61 ASN H H 1 8.447 0.020 . 1 . . . A 155 ASN H . 25803 1 726 . 1 1 61 61 ASN HA H 1 4.669 0.020 . 1 . . . A 155 ASN HA . 25803 1 727 . 1 1 61 61 ASN HB2 H 1 2.740 0.020 . 2 . . . A 155 ASN HB2 . 25803 1 728 . 1 1 61 61 ASN HB3 H 1 2.740 0.020 . 2 . . . A 155 ASN HB3 . 25803 1 729 . 1 1 61 61 ASN HD21 H 1 7.809 0.020 . 2 . . . A 155 ASN HD21 . 25803 1 730 . 1 1 61 61 ASN HD22 H 1 6.864 0.020 . 2 . . . A 155 ASN HD22 . 25803 1 731 . 1 1 61 61 ASN C C 13 173.214 0.200 . 1 . . . A 155 ASN C . 25803 1 732 . 1 1 61 61 ASN CA C 13 50.617 0.200 . 1 . . . A 155 ASN CA . 25803 1 733 . 1 1 61 61 ASN CB C 13 36.386 0.200 . 1 . . . A 155 ASN CB . 25803 1 734 . 1 1 61 61 ASN N N 15 117.858 0.200 . 1 . . . A 155 ASN N . 25803 1 735 . 1 1 61 61 ASN ND2 N 15 115.103 0.200 . 1 . . . A 155 ASN ND2 . 25803 1 736 . 1 1 62 62 ARG H H 1 7.573 0.020 . 1 . . . A 156 ARG H . 25803 1 737 . 1 1 62 62 ARG HA H 1 4.275 0.020 . 1 . . . A 156 ARG HA . 25803 1 738 . 1 1 62 62 ARG HB2 H 1 2.021 0.020 . 2 . . . A 156 ARG HB2 . 25803 1 739 . 1 1 62 62 ARG HB3 H 1 1.858 0.020 . 2 . . . A 156 ARG HB3 . 25803 1 740 . 1 1 62 62 ARG HG2 H 1 1.802 0.020 . 2 . . . A 156 ARG HG2 . 25803 1 741 . 1 1 62 62 ARG HG3 H 1 1.672 0.020 . 2 . . . A 156 ARG HG3 . 25803 1 742 . 1 1 62 62 ARG HD2 H 1 3.264 0.020 . 2 . . . A 156 ARG HD2 . 25803 1 743 . 1 1 62 62 ARG HD3 H 1 3.099 0.020 . 2 . . . A 156 ARG HD3 . 25803 1 744 . 1 1 62 62 ARG C C 13 173.254 0.200 . 1 . . . A 156 ARG C . 25803 1 745 . 1 1 62 62 ARG CA C 13 54.165 0.200 . 1 . . . A 156 ARG CA . 25803 1 746 . 1 1 62 62 ARG CB C 13 28.513 0.200 . 1 . . . A 156 ARG CB . 25803 1 747 . 1 1 62 62 ARG CG C 13 24.911 0.200 . 1 . . . A 156 ARG CG . 25803 1 748 . 1 1 62 62 ARG CD C 13 40.903 0.200 . 1 . . . A 156 ARG CD . 25803 1 749 . 1 1 62 62 ARG N N 15 120.412 0.200 . 1 . . . A 156 ARG N . 25803 1 750 . 1 1 63 63 THR H H 1 8.074 0.020 . 1 . . . A 157 THR H . 25803 1 751 . 1 1 63 63 THR HA H 1 4.299 0.020 . 1 . . . A 157 THR HA . 25803 1 752 . 1 1 63 63 THR HB H 1 4.350 0.020 . 1 . . . A 157 THR HB . 25803 1 753 . 1 1 63 63 THR HG21 H 1 1.123 0.020 . 1 . . . A 157 THR HG21 . 25803 1 754 . 1 1 63 63 THR HG22 H 1 1.123 0.020 . 1 . . . A 157 THR HG22 . 25803 1 755 . 1 1 63 63 THR HG23 H 1 1.123 0.020 . 1 . . . A 157 THR HG23 . 25803 1 756 . 1 1 63 63 THR C C 13 171.802 0.200 . 1 . . . A 157 THR C . 25803 1 757 . 1 1 63 63 THR CA C 13 58.545 0.200 . 1 . . . A 157 THR CA . 25803 1 758 . 1 1 63 63 THR CB C 13 66.406 0.200 . 1 . . . A 157 THR CB . 25803 1 759 . 1 1 63 63 THR CG2 C 13 18.771 0.200 . 1 . . . A 157 THR CG2 . 25803 1 760 . 1 1 63 63 THR N N 15 111.331 0.200 . 1 . . . A 157 THR N . 25803 1 761 . 1 1 64 64 GLN H H 1 7.212 0.020 . 1 . . . A 158 GLN H . 25803 1 762 . 1 1 64 64 GLN HA H 1 4.300 0.020 . 1 . . . A 158 GLN HA . 25803 1 763 . 1 1 64 64 GLN HB2 H 1 2.073 0.020 . 2 . . . A 158 GLN HB2 . 25803 1 764 . 1 1 64 64 GLN HB3 H 1 1.788 0.020 . 2 . . . A 158 GLN HB3 . 25803 1 765 . 1 1 64 64 GLN HG2 H 1 2.403 0.020 . 2 . . . A 158 GLN HG2 . 25803 1 766 . 1 1 64 64 GLN HG3 H 1 2.303 0.020 . 2 . . . A 158 GLN HG3 . 25803 1 767 . 1 1 64 64 GLN HE21 H 1 7.467 0.020 . 2 . . . A 158 GLN HE21 . 25803 1 768 . 1 1 64 64 GLN HE22 H 1 6.811 0.020 . 2 . . . A 158 GLN HE22 . 25803 1 769 . 1 1 64 64 GLN C C 13 171.791 0.200 . 1 . . . A 158 GLN C . 25803 1 770 . 1 1 64 64 GLN CA C 13 54.040 0.200 . 1 . . . A 158 GLN CA . 25803 1 771 . 1 1 64 64 GLN CB C 13 28.518 0.200 . 1 . . . A 158 GLN CB . 25803 1 772 . 1 1 64 64 GLN CG C 13 32.744 0.200 . 1 . . . A 158 GLN CG . 25803 1 773 . 1 1 64 64 GLN N N 15 121.132 0.200 . 1 . . . A 158 GLN N . 25803 1 774 . 1 1 64 64 GLN NE2 N 15 112.264 0.200 . 1 . . . A 158 GLN NE2 . 25803 1 775 . 1 1 65 65 SER H H 1 8.675 0.020 . 1 . . . A 159 SER H . 25803 1 776 . 1 1 65 65 SER HA H 1 4.914 0.020 . 1 . . . A 159 SER HA . 25803 1 777 . 1 1 65 65 SER HB2 H 1 4.073 0.020 . 2 . . . A 159 SER HB2 . 25803 1 778 . 1 1 65 65 SER HB3 H 1 3.816 0.020 . 2 . . . A 159 SER HB3 . 25803 1 779 . 1 1 65 65 SER C C 13 172.686 0.200 . 1 . . . A 159 SER C . 25803 1 780 . 1 1 65 65 SER CA C 13 53.828 0.200 . 1 . . . A 159 SER CA . 25803 1 781 . 1 1 65 65 SER CB C 13 63.291 0.200 . 1 . . . A 159 SER CB . 25803 1 782 . 1 1 65 65 SER N N 15 116.035 0.200 . 1 . . . A 159 SER N . 25803 1 783 . 1 1 66 66 LEU H H 1 8.165 0.020 . 1 . . . A 160 LEU H . 25803 1 784 . 1 1 66 66 LEU HA H 1 3.750 0.020 . 1 . . . A 160 LEU HA . 25803 1 785 . 1 1 66 66 LEU HB2 H 1 1.830 0.020 . 2 . . . A 160 LEU HB2 . 25803 1 786 . 1 1 66 66 LEU HB3 H 1 1.176 0.020 . 2 . . . A 160 LEU HB3 . 25803 1 787 . 1 1 66 66 LEU HG H 1 2.074 0.020 . 1 . . . A 160 LEU HG . 25803 1 788 . 1 1 66 66 LEU HD11 H 1 0.791 0.020 . 2 . . . A 160 LEU HD11 . 25803 1 789 . 1 1 66 66 LEU HD12 H 1 0.791 0.020 . 2 . . . A 160 LEU HD12 . 25803 1 790 . 1 1 66 66 LEU HD13 H 1 0.791 0.020 . 2 . . . A 160 LEU HD13 . 25803 1 791 . 1 1 66 66 LEU HD21 H 1 0.500 0.020 . 2 . . . A 160 LEU HD21 . 25803 1 792 . 1 1 66 66 LEU HD22 H 1 0.500 0.020 . 2 . . . A 160 LEU HD22 . 25803 1 793 . 1 1 66 66 LEU HD23 H 1 0.500 0.020 . 2 . . . A 160 LEU HD23 . 25803 1 794 . 1 1 66 66 LEU C C 13 176.536 0.200 . 1 . . . A 160 LEU C . 25803 1 795 . 1 1 66 66 LEU CA C 13 55.384 0.200 . 1 . . . A 160 LEU CA . 25803 1 796 . 1 1 66 66 LEU CB C 13 36.695 0.200 . 1 . . . A 160 LEU CB . 25803 1 797 . 1 1 66 66 LEU CG C 13 23.626 0.200 . 1 . . . A 160 LEU CG . 25803 1 798 . 1 1 66 66 LEU CD1 C 13 23.791 0.200 . 2 . . . A 160 LEU CD1 . 25803 1 799 . 1 1 66 66 LEU CD2 C 13 18.960 0.200 . 2 . . . A 160 LEU CD2 . 25803 1 800 . 1 1 66 66 LEU N N 15 117.232 0.200 . 1 . . . A 160 LEU N . 25803 1 801 . 1 1 67 67 LYS H H 1 8.279 0.020 . 1 . . . A 161 LYS H . 25803 1 802 . 1 1 67 67 LYS HA H 1 3.996 0.020 . 1 . . . A 161 LYS HA . 25803 1 803 . 1 1 67 67 LYS HB2 H 1 1.643 0.020 . 2 . . . A 161 LYS HB2 . 25803 1 804 . 1 1 67 67 LYS HB3 H 1 1.596 0.020 . 2 . . . A 161 LYS HB3 . 25803 1 805 . 1 1 67 67 LYS HG2 H 1 1.244 0.020 . 2 . . . A 161 LYS HG2 . 25803 1 806 . 1 1 67 67 LYS HG3 H 1 1.201 0.020 . 2 . . . A 161 LYS HG3 . 25803 1 807 . 1 1 67 67 LYS HD2 H 1 1.499 0.020 . 2 . . . A 161 LYS HD2 . 25803 1 808 . 1 1 67 67 LYS HD3 H 1 1.464 0.020 . 2 . . . A 161 LYS HD3 . 25803 1 809 . 1 1 67 67 LYS HE2 H 1 2.829 0.020 . 2 . . . A 161 LYS HE2 . 25803 1 810 . 1 1 67 67 LYS HE3 H 1 2.829 0.020 . 2 . . . A 161 LYS HE3 . 25803 1 811 . 1 1 67 67 LYS C C 13 177.885 0.200 . 1 . . . A 161 LYS C . 25803 1 812 . 1 1 67 67 LYS CA C 13 56.215 0.200 . 1 . . . A 161 LYS CA . 25803 1 813 . 1 1 67 67 LYS CB C 13 30.046 0.200 . 1 . . . A 161 LYS CB . 25803 1 814 . 1 1 67 67 LYS CG C 13 21.452 0.200 . 1 . . . A 161 LYS CG . 25803 1 815 . 1 1 67 67 LYS CD C 13 26.680 0.200 . 1 . . . A 161 LYS CD . 25803 1 816 . 1 1 67 67 LYS CE C 13 39.396 0.200 . 1 . . . A 161 LYS CE . 25803 1 817 . 1 1 67 67 LYS N N 15 117.371 0.200 . 1 . . . A 161 LYS N . 25803 1 818 . 1 1 68 68 GLU H H 1 7.785 0.020 . 1 . . . A 162 GLU H . 25803 1 819 . 1 1 68 68 GLU HA H 1 3.888 0.020 . 1 . . . A 162 GLU HA . 25803 1 820 . 1 1 68 68 GLU HB2 H 1 1.959 0.020 . 2 . . . A 162 GLU HB2 . 25803 1 821 . 1 1 68 68 GLU HB3 H 1 1.959 0.020 . 2 . . . A 162 GLU HB3 . 25803 1 822 . 1 1 68 68 GLU HG2 H 1 2.261 0.020 . 2 . . . A 162 GLU HG2 . 25803 1 823 . 1 1 68 68 GLU HG3 H 1 2.221 0.020 . 2 . . . A 162 GLU HG3 . 25803 1 824 . 1 1 68 68 GLU C C 13 175.783 0.200 . 1 . . . A 162 GLU C . 25803 1 825 . 1 1 68 68 GLU CA C 13 56.189 0.200 . 1 . . . A 162 GLU CA . 25803 1 826 . 1 1 68 68 GLU CB C 13 27.097 0.200 . 1 . . . A 162 GLU CB . 25803 1 827 . 1 1 68 68 GLU CG C 13 34.801 0.200 . 1 . . . A 162 GLU CG . 25803 1 828 . 1 1 68 68 GLU N N 15 121.556 0.200 . 1 . . . A 162 GLU N . 25803 1 829 . 1 1 69 69 LEU H H 1 7.761 0.020 . 1 . . . A 163 LEU H . 25803 1 830 . 1 1 69 69 LEU HA H 1 4.077 0.020 . 1 . . . A 163 LEU HA . 25803 1 831 . 1 1 69 69 LEU HB2 H 1 1.767 0.020 . 2 . . . A 163 LEU HB2 . 25803 1 832 . 1 1 69 69 LEU HB3 H 1 1.370 0.020 . 2 . . . A 163 LEU HB3 . 25803 1 833 . 1 1 69 69 LEU HG H 1 1.655 0.020 . 1 . . . A 163 LEU HG . 25803 1 834 . 1 1 69 69 LEU HD11 H 1 0.669 0.020 . 2 . . . A 163 LEU HD11 . 25803 1 835 . 1 1 69 69 LEU HD12 H 1 0.669 0.020 . 2 . . . A 163 LEU HD12 . 25803 1 836 . 1 1 69 69 LEU HD13 H 1 0.669 0.020 . 2 . . . A 163 LEU HD13 . 25803 1 837 . 1 1 69 69 LEU HD21 H 1 0.729 0.020 . 2 . . . A 163 LEU HD21 . 25803 1 838 . 1 1 69 69 LEU HD22 H 1 0.729 0.020 . 2 . . . A 163 LEU HD22 . 25803 1 839 . 1 1 69 69 LEU HD23 H 1 0.729 0.020 . 2 . . . A 163 LEU HD23 . 25803 1 840 . 1 1 69 69 LEU C C 13 174.035 0.200 . 1 . . . A 163 LEU C . 25803 1 841 . 1 1 69 69 LEU CA C 13 52.855 0.200 . 1 . . . A 163 LEU CA . 25803 1 842 . 1 1 69 69 LEU CB C 13 39.739 0.200 . 1 . . . A 163 LEU CB . 25803 1 843 . 1 1 69 69 LEU CG C 13 23.948 0.200 . 1 . . . A 163 LEU CG . 25803 1 844 . 1 1 69 69 LEU CD1 C 13 24.118 0.200 . 2 . . . A 163 LEU CD1 . 25803 1 845 . 1 1 69 69 LEU CD2 C 13 20.315 0.200 . 2 . . . A 163 LEU CD2 . 25803 1 846 . 1 1 69 69 LEU N N 15 118.309 0.200 . 1 . . . A 163 LEU N . 25803 1 847 . 1 1 70 70 GLY H H 1 7.541 0.020 . 1 . . . A 164 GLY H . 25803 1 848 . 1 1 70 70 GLY HA2 H 1 4.159 0.020 . 1 . . . A 164 GLY HA2 . 25803 1 849 . 1 1 70 70 GLY HA3 H 1 3.582 0.020 . 1 . . . A 164 GLY HA3 . 25803 1 850 . 1 1 70 70 GLY C C 13 171.419 0.200 . 1 . . . A 164 GLY C . 25803 1 851 . 1 1 70 70 GLY CA C 13 42.400 0.200 . 1 . . . A 164 GLY CA . 25803 1 852 . 1 1 70 70 GLY N N 15 105.113 0.200 . 1 . . . A 164 GLY N . 25803 1 853 . 1 1 71 71 LEU H H 1 7.092 0.020 . 1 . . . A 165 LEU H . 25803 1 854 . 1 1 71 71 LEU HA H 1 4.099 0.020 . 1 . . . A 165 LEU HA . 25803 1 855 . 1 1 71 71 LEU HB2 H 1 1.211 0.020 . 2 . . . A 165 LEU HB2 . 25803 1 856 . 1 1 71 71 LEU HB3 H 1 1.211 0.020 . 2 . . . A 165 LEU HB3 . 25803 1 857 . 1 1 71 71 LEU HG H 1 1.109 0.020 . 1 . . . A 165 LEU HG . 25803 1 858 . 1 1 71 71 LEU HD11 H 1 0.442 0.020 . 2 . . . A 165 LEU HD11 . 25803 1 859 . 1 1 71 71 LEU HD12 H 1 0.442 0.020 . 2 . . . A 165 LEU HD12 . 25803 1 860 . 1 1 71 71 LEU HD13 H 1 0.442 0.020 . 2 . . . A 165 LEU HD13 . 25803 1 861 . 1 1 71 71 LEU HD21 H 1 0.180 0.020 . 2 . . . A 165 LEU HD21 . 25803 1 862 . 1 1 71 71 LEU HD22 H 1 0.180 0.020 . 2 . . . A 165 LEU HD22 . 25803 1 863 . 1 1 71 71 LEU HD23 H 1 0.180 0.020 . 2 . . . A 165 LEU HD23 . 25803 1 864 . 1 1 71 71 LEU C C 13 173.046 0.200 . 1 . . . A 165 LEU C . 25803 1 865 . 1 1 71 71 LEU CA C 13 53.143 0.200 . 1 . . . A 165 LEU CA . 25803 1 866 . 1 1 71 71 LEU CB C 13 39.851 0.200 . 1 . . . A 165 LEU CB . 25803 1 867 . 1 1 71 71 LEU CG C 13 25.839 0.200 . 1 . . . A 165 LEU CG . 25803 1 868 . 1 1 71 71 LEU CD1 C 13 23.126 0.200 . 2 . . . A 165 LEU CD1 . 25803 1 869 . 1 1 71 71 LEU CD2 C 13 21.343 0.200 . 2 . . . A 165 LEU CD2 . 25803 1 870 . 1 1 71 71 LEU N N 15 119.694 0.200 . 1 . . . A 165 LEU N . 25803 1 871 . 1 1 72 72 LYS H H 1 8.762 0.020 . 1 . . . A 166 LYS H . 25803 1 872 . 1 1 72 72 LYS HA H 1 4.479 0.020 . 1 . . . A 166 LYS HA . 25803 1 873 . 1 1 72 72 LYS HB2 H 1 1.726 0.020 . 2 . . . A 166 LYS HB2 . 25803 1 874 . 1 1 72 72 LYS HB3 H 1 1.692 0.020 . 2 . . . A 166 LYS HB3 . 25803 1 875 . 1 1 72 72 LYS HG2 H 1 1.456 0.020 . 2 . . . A 166 LYS HG2 . 25803 1 876 . 1 1 72 72 LYS HG3 H 1 1.366 0.020 . 2 . . . A 166 LYS HG3 . 25803 1 877 . 1 1 72 72 LYS HD2 H 1 1.629 0.020 . 2 . . . A 166 LYS HD2 . 25803 1 878 . 1 1 72 72 LYS HD3 H 1 1.629 0.020 . 2 . . . A 166 LYS HD3 . 25803 1 879 . 1 1 72 72 LYS HE2 H 1 3.009 0.020 . 2 . . . A 166 LYS HE2 . 25803 1 880 . 1 1 72 72 LYS HE3 H 1 3.009 0.020 . 2 . . . A 166 LYS HE3 . 25803 1 881 . 1 1 72 72 LYS C C 13 172.130 0.200 . 1 . . . A 166 LYS C . 25803 1 882 . 1 1 72 72 LYS CA C 13 51.673 0.200 . 1 . . . A 166 LYS CA . 25803 1 883 . 1 1 72 72 LYS CB C 13 32.767 0.200 . 1 . . . A 166 LYS CB . 25803 1 884 . 1 1 72 72 LYS CG C 13 20.981 0.200 . 1 . . . A 166 LYS CG . 25803 1 885 . 1 1 72 72 LYS CD C 13 26.299 0.200 . 1 . . . A 166 LYS CD . 25803 1 886 . 1 1 72 72 LYS CE C 13 39.510 0.200 . 1 . . . A 166 LYS CE . 25803 1 887 . 1 1 72 72 LYS N N 15 120.238 0.200 . 1 . . . A 166 LYS N . 25803 1 888 . 1 1 73 73 THR H H 1 8.193 0.020 . 1 . . . A 167 THR H . 25803 1 889 . 1 1 73 73 THR HA H 1 4.099 0.020 . 1 . . . A 167 THR HA . 25803 1 890 . 1 1 73 73 THR HB H 1 4.091 0.020 . 1 . . . A 167 THR HB . 25803 1 891 . 1 1 73 73 THR HG1 H 1 4.477 0.020 . 1 . . . A 167 THR HG1 . 25803 1 892 . 1 1 73 73 THR HG21 H 1 1.213 0.020 . 1 . . . A 167 THR HG21 . 25803 1 893 . 1 1 73 73 THR HG22 H 1 1.213 0.020 . 1 . . . A 167 THR HG22 . 25803 1 894 . 1 1 73 73 THR HG23 H 1 1.213 0.020 . 1 . . . A 167 THR HG23 . 25803 1 895 . 1 1 73 73 THR C C 13 171.075 0.200 . 1 . . . A 167 THR C . 25803 1 896 . 1 1 73 73 THR CA C 13 61.596 0.200 . 1 . . . A 167 THR CA . 25803 1 897 . 1 1 73 73 THR CB C 13 66.846 0.200 . 1 . . . A 167 THR CB . 25803 1 898 . 1 1 73 73 THR CG2 C 13 18.283 0.200 . 1 . . . A 167 THR CG2 . 25803 1 899 . 1 1 73 73 THR N N 15 112.584 0.200 . 1 . . . A 167 THR N . 25803 1 900 . 1 1 74 74 ASP H H 1 8.875 0.020 . 1 . . . A 168 ASP H . 25803 1 901 . 1 1 74 74 ASP HA H 1 4.449 0.020 . 1 . . . A 168 ASP HA . 25803 1 902 . 1 1 74 74 ASP HB2 H 1 3.040 0.020 . 2 . . . A 168 ASP HB2 . 25803 1 903 . 1 1 74 74 ASP HB3 H 1 2.851 0.020 . 2 . . . A 168 ASP HB3 . 25803 1 904 . 1 1 74 74 ASP C C 13 172.811 0.200 . 1 . . . A 168 ASP C . 25803 1 905 . 1 1 74 74 ASP CA C 13 53.643 0.200 . 1 . . . A 168 ASP CA . 25803 1 906 . 1 1 74 74 ASP CB C 13 36.760 0.200 . 1 . . . A 168 ASP CB . 25803 1 907 . 1 1 74 74 ASP N N 15 120.502 0.200 . 1 . . . A 168 ASP N . 25803 1 908 . 1 1 75 75 ASP H H 1 7.871 0.020 . 1 . . . A 169 ASP H . 25803 1 909 . 1 1 75 75 ASP HA H 1 4.816 0.020 . 1 . . . A 169 ASP HA . 25803 1 910 . 1 1 75 75 ASP HB2 H 1 2.933 0.020 . 2 . . . A 169 ASP HB2 . 25803 1 911 . 1 1 75 75 ASP HB3 H 1 2.446 0.020 . 2 . . . A 169 ASP HB3 . 25803 1 912 . 1 1 75 75 ASP C C 13 171.282 0.200 . 1 . . . A 169 ASP C . 25803 1 913 . 1 1 75 75 ASP CA C 13 52.436 0.200 . 1 . . . A 169 ASP CA . 25803 1 914 . 1 1 75 75 ASP CB C 13 40.506 0.200 . 1 . . . A 169 ASP CB . 25803 1 915 . 1 1 75 75 ASP N N 15 121.364 0.200 . 1 . . . A 169 ASP N . 25803 1 916 . 1 1 76 76 LEU H H 1 8.097 0.020 . 1 . . . A 170 LEU H . 25803 1 917 . 1 1 76 76 LEU HA H 1 5.205 0.020 . 1 . . . A 170 LEU HA . 25803 1 918 . 1 1 76 76 LEU HB2 H 1 1.654 0.020 . 2 . . . A 170 LEU HB2 . 25803 1 919 . 1 1 76 76 LEU HB3 H 1 1.411 0.020 . 2 . . . A 170 LEU HB3 . 25803 1 920 . 1 1 76 76 LEU HG H 1 1.327 0.020 . 1 . . . A 170 LEU HG . 25803 1 921 . 1 1 76 76 LEU HD11 H 1 0.776 0.020 . 2 . . . A 170 LEU HD11 . 25803 1 922 . 1 1 76 76 LEU HD12 H 1 0.776 0.020 . 2 . . . A 170 LEU HD12 . 25803 1 923 . 1 1 76 76 LEU HD13 H 1 0.776 0.020 . 2 . . . A 170 LEU HD13 . 25803 1 924 . 1 1 76 76 LEU HD21 H 1 0.775 0.020 . 2 . . . A 170 LEU HD21 . 25803 1 925 . 1 1 76 76 LEU HD22 H 1 0.775 0.020 . 2 . . . A 170 LEU HD22 . 25803 1 926 . 1 1 76 76 LEU HD23 H 1 0.775 0.020 . 2 . . . A 170 LEU HD23 . 25803 1 927 . 1 1 76 76 LEU C C 13 173.496 0.200 . 1 . . . A 170 LEU C . 25803 1 928 . 1 1 76 76 LEU CA C 13 50.766 0.200 . 1 . . . A 170 LEU CA . 25803 1 929 . 1 1 76 76 LEU CB C 13 42.906 0.200 . 1 . . . A 170 LEU CB . 25803 1 930 . 1 1 76 76 LEU CG C 13 24.723 0.200 . 1 . . . A 170 LEU CG . 25803 1 931 . 1 1 76 76 LEU CD1 C 13 23.220 0.200 . 2 . . . A 170 LEU CD1 . 25803 1 932 . 1 1 76 76 LEU CD2 C 13 21.844 0.200 . 2 . . . A 170 LEU CD2 . 25803 1 933 . 1 1 76 76 LEU N N 15 121.018 0.200 . 1 . . . A 170 LEU N . 25803 1 934 . 1 1 77 77 LEU H H 1 8.832 0.020 . 1 . . . A 171 LEU H . 25803 1 935 . 1 1 77 77 LEU HA H 1 5.173 0.020 . 1 . . . A 171 LEU HA . 25803 1 936 . 1 1 77 77 LEU HB2 H 1 1.619 0.020 . 2 . . . A 171 LEU HB2 . 25803 1 937 . 1 1 77 77 LEU HB3 H 1 1.412 0.020 . 2 . . . A 171 LEU HB3 . 25803 1 938 . 1 1 77 77 LEU HG H 1 1.602 0.020 . 1 . . . A 171 LEU HG . 25803 1 939 . 1 1 77 77 LEU HD11 H 1 0.657 0.020 . 2 . . . A 171 LEU HD11 . 25803 1 940 . 1 1 77 77 LEU HD12 H 1 0.657 0.020 . 2 . . . A 171 LEU HD12 . 25803 1 941 . 1 1 77 77 LEU HD13 H 1 0.657 0.020 . 2 . . . A 171 LEU HD13 . 25803 1 942 . 1 1 77 77 LEU HD21 H 1 0.791 0.020 . 2 . . . A 171 LEU HD21 . 25803 1 943 . 1 1 77 77 LEU HD22 H 1 0.791 0.020 . 2 . . . A 171 LEU HD22 . 25803 1 944 . 1 1 77 77 LEU HD23 H 1 0.791 0.020 . 2 . . . A 171 LEU HD23 . 25803 1 945 . 1 1 77 77 LEU C C 13 172.309 0.200 . 1 . . . A 171 LEU C . 25803 1 946 . 1 1 77 77 LEU CA C 13 50.683 0.200 . 1 . . . A 171 LEU CA . 25803 1 947 . 1 1 77 77 LEU CB C 13 42.003 0.200 . 1 . . . A 171 LEU CB . 25803 1 948 . 1 1 77 77 LEU CG C 13 24.787 0.200 . 1 . . . A 171 LEU CG . 25803 1 949 . 1 1 77 77 LEU CD1 C 13 23.458 0.200 . 2 . . . A 171 LEU CD1 . 25803 1 950 . 1 1 77 77 LEU CD2 C 13 21.811 0.200 . 2 . . . A 171 LEU CD2 . 25803 1 951 . 1 1 77 77 LEU N N 15 124.862 0.200 . 1 . . . A 171 LEU N . 25803 1 952 . 1 1 78 78 LEU H H 1 8.749 0.020 . 1 . . . A 172 LEU H . 25803 1 953 . 1 1 78 78 LEU HA H 1 5.442 0.020 . 1 . . . A 172 LEU HA . 25803 1 954 . 1 1 78 78 LEU HB2 H 1 1.564 0.020 . 2 . . . A 172 LEU HB2 . 25803 1 955 . 1 1 78 78 LEU HB3 H 1 1.416 0.020 . 2 . . . A 172 LEU HB3 . 25803 1 956 . 1 1 78 78 LEU HG H 1 1.575 0.020 . 1 . . . A 172 LEU HG . 25803 1 957 . 1 1 78 78 LEU HD11 H 1 0.754 0.020 . 1 . . . A 172 LEU HD11 . 25803 1 958 . 1 1 78 78 LEU HD12 H 1 0.754 0.020 . 1 . . . A 172 LEU HD12 . 25803 1 959 . 1 1 78 78 LEU HD13 H 1 0.754 0.020 . 1 . . . A 172 LEU HD13 . 25803 1 960 . 1 1 78 78 LEU C C 13 173.470 0.200 . 1 . . . A 172 LEU C . 25803 1 961 . 1 1 78 78 LEU CA C 13 50.643 0.200 . 1 . . . A 172 LEU CA . 25803 1 962 . 1 1 78 78 LEU CB C 13 42.887 0.200 . 1 . . . A 172 LEU CB . 25803 1 963 . 1 1 78 78 LEU CG C 13 24.877 0.200 . 1 . . . A 172 LEU CG . 25803 1 964 . 1 1 78 78 LEU CD1 C 13 21.869 0.200 . 1 . . . A 172 LEU CD1 . 25803 1 965 . 1 1 78 78 LEU CD2 C 13 21.972 0.200 . 1 . . . A 172 LEU CD2 . 25803 1 966 . 1 1 78 78 LEU N N 15 120.993 0.200 . 1 . . . A 172 LEU N . 25803 1 967 . 1 1 79 79 ILE H H 1 8.995 0.020 . 1 . . . A 173 ILE H . 25803 1 968 . 1 1 79 79 ILE HA H 1 4.767 0.020 . 1 . . . A 173 ILE HA . 25803 1 969 . 1 1 79 79 ILE HB H 1 1.571 0.020 . 1 . . . A 173 ILE HB . 25803 1 970 . 1 1 79 79 ILE HG12 H 1 1.560 0.020 . 2 . . . A 173 ILE HG12 . 25803 1 971 . 1 1 79 79 ILE HG13 H 1 0.865 0.020 . 2 . . . A 173 ILE HG13 . 25803 1 972 . 1 1 79 79 ILE HG21 H 1 0.560 0.020 . 1 . . . A 173 ILE HG21 . 25803 1 973 . 1 1 79 79 ILE HG22 H 1 0.560 0.020 . 1 . . . A 173 ILE HG22 . 25803 1 974 . 1 1 79 79 ILE HG23 H 1 0.560 0.020 . 1 . . . A 173 ILE HG23 . 25803 1 975 . 1 1 79 79 ILE HD11 H 1 0.747 0.020 . 1 . . . A 173 ILE HD11 . 25803 1 976 . 1 1 79 79 ILE HD12 H 1 0.747 0.020 . 1 . . . A 173 ILE HD12 . 25803 1 977 . 1 1 79 79 ILE HD13 H 1 0.747 0.020 . 1 . . . A 173 ILE HD13 . 25803 1 978 . 1 1 79 79 ILE C C 13 172.167 0.200 . 1 . . . A 173 ILE C . 25803 1 979 . 1 1 79 79 ILE CA C 13 58.772 0.200 . 1 . . . A 173 ILE CA . 25803 1 980 . 1 1 79 79 ILE CB C 13 37.255 0.200 . 1 . . . A 173 ILE CB . 25803 1 981 . 1 1 79 79 ILE CG1 C 13 24.656 0.200 . 1 . . . A 173 ILE CG1 . 25803 1 982 . 1 1 79 79 ILE CG2 C 13 14.314 0.200 . 1 . . . A 173 ILE CG2 . 25803 1 983 . 1 1 79 79 ILE CD1 C 13 12.126 0.200 . 1 . . . A 173 ILE CD1 . 25803 1 984 . 1 1 79 79 ILE N N 15 122.853 0.200 . 1 . . . A 173 ILE N . 25803 1 985 . 1 1 80 80 ARG H H 1 8.719 0.020 . 1 . . . A 174 ARG H . 25803 1 986 . 1 1 80 80 ARG HA H 1 4.677 0.020 . 1 . . . A 174 ARG HA . 25803 1 987 . 1 1 80 80 ARG HB2 H 1 1.881 0.020 . 2 . . . A 174 ARG HB2 . 25803 1 988 . 1 1 80 80 ARG HB3 H 1 1.563 0.020 . 2 . . . A 174 ARG HB3 . 25803 1 989 . 1 1 80 80 ARG HG2 H 1 1.434 0.020 . 2 . . . A 174 ARG HG2 . 25803 1 990 . 1 1 80 80 ARG HG3 H 1 1.282 0.020 . 2 . . . A 174 ARG HG3 . 25803 1 991 . 1 1 80 80 ARG HD2 H 1 2.307 0.020 . 2 . . . A 174 ARG HD2 . 25803 1 992 . 1 1 80 80 ARG HD3 H 1 2.145 0.020 . 2 . . . A 174 ARG HD3 . 25803 1 993 . 1 1 80 80 ARG C C 13 172.976 0.200 . 1 . . . A 174 ARG C . 25803 1 994 . 1 1 80 80 ARG CA C 13 51.432 0.200 . 1 . . . A 174 ARG CA . 25803 1 995 . 1 1 80 80 ARG CB C 13 32.071 0.200 . 1 . . . A 174 ARG CB . 25803 1 996 . 1 1 80 80 ARG CG C 13 25.148 0.200 . 1 . . . A 174 ARG CG . 25803 1 997 . 1 1 80 80 ARG CD C 13 39.918 0.200 . 1 . . . A 174 ARG CD . 25803 1 998 . 1 1 80 80 ARG N N 15 123.857 0.200 . 1 . . . A 174 ARG N . 25803 1 999 . 1 1 81 81 GLY H H 1 8.819 0.020 . 1 . . . A 175 GLY H . 25803 1 1000 . 1 1 81 81 GLY HA2 H 1 4.365 0.020 . 2 . . . A 175 GLY HA2 . 25803 1 1001 . 1 1 81 81 GLY HA3 H 1 3.816 0.020 . 2 . . . A 175 GLY HA3 . 25803 1 1002 . 1 1 81 81 GLY C C 13 171.907 0.200 . 1 . . . A 175 GLY C . 25803 1 1003 . 1 1 81 81 GLY CA C 13 42.856 0.200 . 1 . . . A 175 GLY CA . 25803 1 1004 . 1 1 81 81 GLY N N 15 107.316 0.200 . 1 . . . A 175 GLY N . 25803 1 1005 . 1 1 82 82 LYS H H 1 7.892 0.020 . 1 . . . A 176 LYS H . 25803 1 1006 . 1 1 82 82 LYS HA H 1 4.186 0.020 . 1 . . . A 176 LYS HA . 25803 1 1007 . 1 1 82 82 LYS HB2 H 1 1.594 0.020 . 2 . . . A 176 LYS HB2 . 25803 1 1008 . 1 1 82 82 LYS HB3 H 1 1.332 0.020 . 2 . . . A 176 LYS HB3 . 25803 1 1009 . 1 1 82 82 LYS HG2 H 1 1.336 0.020 . 2 . . . A 176 LYS HG2 . 25803 1 1010 . 1 1 82 82 LYS HG3 H 1 0.989 0.020 . 2 . . . A 176 LYS HG3 . 25803 1 1011 . 1 1 82 82 LYS HD2 H 1 1.443 0.020 . 2 . . . A 176 LYS HD2 . 25803 1 1012 . 1 1 82 82 LYS HD3 H 1 1.318 0.020 . 2 . . . A 176 LYS HD3 . 25803 1 1013 . 1 1 82 82 LYS HE2 H 1 2.841 0.020 . 2 . . . A 176 LYS HE2 . 25803 1 1014 . 1 1 82 82 LYS HE3 H 1 2.689 0.020 . 2 . . . A 176 LYS HE3 . 25803 1 1015 . 1 1 82 82 LYS C C 13 174.264 0.200 . 1 . . . A 176 LYS C . 25803 1 1016 . 1 1 82 82 LYS CA C 13 54.457 0.200 . 1 . . . A 176 LYS CA . 25803 1 1017 . 1 1 82 82 LYS CB C 13 30.881 0.200 . 1 . . . A 176 LYS CB . 25803 1 1018 . 1 1 82 82 LYS CG C 13 22.560 0.200 . 1 . . . A 176 LYS CG . 25803 1 1019 . 1 1 82 82 LYS CD C 13 26.146 0.200 . 1 . . . A 176 LYS CD . 25803 1 1020 . 1 1 82 82 LYS CE C 13 39.663 0.200 . 1 . . . A 176 LYS CE . 25803 1 1021 . 1 1 82 82 LYS N N 15 123.236 0.200 . 1 . . . A 176 LYS N . 25803 1 1022 . 1 1 83 83 ILE H H 1 8.336 0.020 . 1 . . . A 177 ILE H . 25803 1 1023 . 1 1 83 83 ILE HA H 1 4.125 0.020 . 1 . . . A 177 ILE HA . 25803 1 1024 . 1 1 83 83 ILE HB H 1 1.823 0.020 . 1 . . . A 177 ILE HB . 25803 1 1025 . 1 1 83 83 ILE HG12 H 1 1.471 0.020 . 2 . . . A 177 ILE HG12 . 25803 1 1026 . 1 1 83 83 ILE HG13 H 1 1.211 0.020 . 2 . . . A 177 ILE HG13 . 25803 1 1027 . 1 1 83 83 ILE HG21 H 1 0.864 0.020 . 1 . . . A 177 ILE HG21 . 25803 1 1028 . 1 1 83 83 ILE HG22 H 1 0.864 0.020 . 1 . . . A 177 ILE HG22 . 25803 1 1029 . 1 1 83 83 ILE HG23 H 1 0.864 0.020 . 1 . . . A 177 ILE HG23 . 25803 1 1030 . 1 1 83 83 ILE HD11 H 1 0.815 0.020 . 1 . . . A 177 ILE HD11 . 25803 1 1031 . 1 1 83 83 ILE HD12 H 1 0.815 0.020 . 1 . . . A 177 ILE HD12 . 25803 1 1032 . 1 1 83 83 ILE HD13 H 1 0.815 0.020 . 1 . . . A 177 ILE HD13 . 25803 1 1033 . 1 1 83 83 ILE C C 13 173.624 0.200 . 1 . . . A 177 ILE C . 25803 1 1034 . 1 1 83 83 ILE CA C 13 58.457 0.200 . 1 . . . A 177 ILE CA . 25803 1 1035 . 1 1 83 83 ILE CB C 13 35.974 0.200 . 1 . . . A 177 ILE CB . 25803 1 1036 . 1 1 83 83 ILE CG1 C 13 24.436 0.200 . 1 . . . A 177 ILE CG1 . 25803 1 1037 . 1 1 83 83 ILE CG2 C 13 14.802 0.200 . 1 . . . A 177 ILE CG2 . 25803 1 1038 . 1 1 83 83 ILE CD1 C 13 10.073 0.200 . 1 . . . A 177 ILE CD1 . 25803 1 1039 . 1 1 83 83 ILE N N 15 123.107 0.200 . 1 . . . A 177 ILE N . 25803 1 1040 . 1 1 84 84 SER H H 1 8.321 0.020 . 1 . . . A 178 SER H . 25803 1 1041 . 1 1 84 84 SER HA H 1 4.412 0.020 . 1 . . . A 178 SER HA . 25803 1 1042 . 1 1 84 84 SER HB2 H 1 3.843 0.020 . 2 . . . A 178 SER HB2 . 25803 1 1043 . 1 1 84 84 SER HB3 H 1 3.766 0.020 . 2 . . . A 178 SER HB3 . 25803 1 1044 . 1 1 84 84 SER C C 13 171.390 0.200 . 1 . . . A 178 SER C . 25803 1 1045 . 1 1 84 84 SER CA C 13 55.133 0.200 . 1 . . . A 178 SER CA . 25803 1 1046 . 1 1 84 84 SER CB C 13 61.209 0.200 . 1 . . . A 178 SER CB . 25803 1 1047 . 1 1 84 84 SER N N 15 119.794 0.200 . 1 . . . A 178 SER N . 25803 1 1048 . 1 1 85 85 ASN H H 1 8.434 0.020 . 1 . . . A 179 ASN H . 25803 1 1049 . 1 1 85 85 ASN HA H 1 4.739 0.020 . 1 . . . A 179 ASN HA . 25803 1 1050 . 1 1 85 85 ASN HB2 H 1 2.771 0.020 . 2 . . . A 179 ASN HB2 . 25803 1 1051 . 1 1 85 85 ASN HB3 H 1 2.694 0.020 . 2 . . . A 179 ASN HB3 . 25803 1 1052 . 1 1 85 85 ASN C C 13 171.591 0.200 . 1 . . . A 179 ASN C . 25803 1 1053 . 1 1 85 85 ASN CA C 13 50.627 0.200 . 1 . . . A 179 ASN CA . 25803 1 1054 . 1 1 85 85 ASN CB C 13 36.475 0.200 . 1 . . . A 179 ASN CB . 25803 1 1055 . 1 1 85 85 ASN N N 15 121.785 0.200 . 1 . . . A 179 ASN N . 25803 1 1056 . 1 1 86 86 SER H H 1 7.869 0.020 . 1 . . . A 180 SER H . 25803 1 1057 . 1 1 86 86 SER HA H 1 4.182 0.020 . 1 . . . A 180 SER HA . 25803 1 1058 . 1 1 86 86 SER HB2 H 1 3.763 0.020 . 2 . . . A 180 SER HB2 . 25803 1 1059 . 1 1 86 86 SER HB3 H 1 3.763 0.020 . 2 . . . A 180 SER HB3 . 25803 1 1060 . 1 1 86 86 SER C C 13 171.589 0.200 . 1 . . . A 180 SER C . 25803 1 1061 . 1 1 86 86 SER CA C 13 57.319 0.200 . 1 . . . A 180 SER CA . 25803 1 1062 . 1 1 86 86 SER CB C 13 62.161 0.200 . 1 . . . A 180 SER CB . 25803 1 1063 . 1 1 86 86 SER N N 15 121.260 0.200 . 1 . . . A 180 SER N . 25803 1 stop_ save_