data_31040 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31040 _Entry.Title ; Solution structure of the WH domain of MORF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-19 _Entry.Accession_date 2022-08-19 _Entry.Last_release_date 2022-09-19 _Entry.Original_release_date 2022-09-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Y. Zhang Y. . . . 31040 2 T. Kutateladze T. G. . . 31040 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 31040 MORF . 31040 TRANSCRIPTION . 31040 chromatin . 31040 histone . 31040 'winged helix' . 31040 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31040 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 188 31040 '15N chemical shifts' 91 31040 '1H chemical shifts' 459 31040 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 . . 2023-05-02 . original BMRB . 31040 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8E4V 'BMRB Entry Tracking System' 31040 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31040 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of MORF-WH ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 B. Klein B. . . . 31040 1 2 Y. Zhang Y. . . . 31040 1 3 T. Kutateladze T. G. . . 31040 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31040 _Assembly.ID 1 _Assembly.Name 'Histone-lysine N-methyltransferase 2D (E.C.2.1.1.43), Histone H4' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31040 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31040 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GNDLRNVDWNKLLRRAIEGL EEPNGSSLKNIEKYLRSQSD LTSTTNNPAFQQRLRLGAKR AVNNGRLLKDGPQYRVNYGS LDGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.3.1.48 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9515.630 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Histone acetyltransferase MOZ2' common 31040 1 MOZ common 31040 1 MYST-4 common 31040 1 'Monocytic leukemia zinc finger protein-related factor' common 31040 1 'SAS2 and TIP60 protein 4' common 31040 1 YBF2/SAS3 common 31040 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 99 GLY . 31040 1 2 100 ASN . 31040 1 3 101 ASP . 31040 1 4 102 LEU . 31040 1 5 103 ARG . 31040 1 6 104 ASN . 31040 1 7 105 VAL . 31040 1 8 106 ASP . 31040 1 9 107 TRP . 31040 1 10 108 ASN . 31040 1 11 109 LYS . 31040 1 12 110 LEU . 31040 1 13 111 LEU . 31040 1 14 112 ARG . 31040 1 15 113 ARG . 31040 1 16 114 ALA . 31040 1 17 115 ILE . 31040 1 18 116 GLU . 31040 1 19 117 GLY . 31040 1 20 118 LEU . 31040 1 21 119 GLU . 31040 1 22 120 GLU . 31040 1 23 121 PRO . 31040 1 24 122 ASN . 31040 1 25 123 GLY . 31040 1 26 124 SER . 31040 1 27 125 SER . 31040 1 28 126 LEU . 31040 1 29 127 LYS . 31040 1 30 128 ASN . 31040 1 31 129 ILE . 31040 1 32 130 GLU . 31040 1 33 131 LYS . 31040 1 34 132 TYR . 31040 1 35 133 LEU . 31040 1 36 134 ARG . 31040 1 37 135 SER . 31040 1 38 136 GLN . 31040 1 39 137 SER . 31040 1 40 138 ASP . 31040 1 41 139 LEU . 31040 1 42 140 THR . 31040 1 43 141 SER . 31040 1 44 142 THR . 31040 1 45 143 THR . 31040 1 46 144 ASN . 31040 1 47 145 ASN . 31040 1 48 146 PRO . 31040 1 49 147 ALA . 31040 1 50 148 PHE . 31040 1 51 149 GLN . 31040 1 52 150 GLN . 31040 1 53 151 ARG . 31040 1 54 152 LEU . 31040 1 55 153 ARG . 31040 1 56 154 LEU . 31040 1 57 155 GLY . 31040 1 58 156 ALA . 31040 1 59 157 LYS . 31040 1 60 158 ARG . 31040 1 61 159 ALA . 31040 1 62 160 VAL . 31040 1 63 161 ASN . 31040 1 64 162 ASN . 31040 1 65 163 GLY . 31040 1 66 164 ARG . 31040 1 67 165 LEU . 31040 1 68 166 LEU . 31040 1 69 167 LYS . 31040 1 70 168 ASP . 31040 1 71 169 GLY . 31040 1 72 170 PRO . 31040 1 73 171 GLN . 31040 1 74 172 TYR . 31040 1 75 173 ARG . 31040 1 76 174 VAL . 31040 1 77 175 ASN . 31040 1 78 176 TYR . 31040 1 79 177 GLY . 31040 1 80 178 SER . 31040 1 81 179 LEU . 31040 1 82 180 ASP . 31040 1 83 181 GLY . 31040 1 84 182 LYS . 31040 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 31040 1 . ASN 2 2 31040 1 . ASP 3 3 31040 1 . LEU 4 4 31040 1 . ARG 5 5 31040 1 . ASN 6 6 31040 1 . VAL 7 7 31040 1 . ASP 8 8 31040 1 . TRP 9 9 31040 1 . ASN 10 10 31040 1 . LYS 11 11 31040 1 . LEU 12 12 31040 1 . LEU 13 13 31040 1 . ARG 14 14 31040 1 . ARG 15 15 31040 1 . ALA 16 16 31040 1 . ILE 17 17 31040 1 . GLU 18 18 31040 1 . GLY 19 19 31040 1 . LEU 20 20 31040 1 . GLU 21 21 31040 1 . GLU 22 22 31040 1 . PRO 23 23 31040 1 . ASN 24 24 31040 1 . GLY 25 25 31040 1 . SER 26 26 31040 1 . SER 27 27 31040 1 . LEU 28 28 31040 1 . LYS 29 29 31040 1 . ASN 30 30 31040 1 . ILE 31 31 31040 1 . GLU 32 32 31040 1 . LYS 33 33 31040 1 . TYR 34 34 31040 1 . LEU 35 35 31040 1 . ARG 36 36 31040 1 . SER 37 37 31040 1 . GLN 38 38 31040 1 . SER 39 39 31040 1 . ASP 40 40 31040 1 . LEU 41 41 31040 1 . THR 42 42 31040 1 . SER 43 43 31040 1 . THR 44 44 31040 1 . THR 45 45 31040 1 . ASN 46 46 31040 1 . ASN 47 47 31040 1 . PRO 48 48 31040 1 . ALA 49 49 31040 1 . PHE 50 50 31040 1 . GLN 51 51 31040 1 . GLN 52 52 31040 1 . ARG 53 53 31040 1 . LEU 54 54 31040 1 . ARG 55 55 31040 1 . LEU 56 56 31040 1 . GLY 57 57 31040 1 . ALA 58 58 31040 1 . LYS 59 59 31040 1 . ARG 60 60 31040 1 . ALA 61 61 31040 1 . VAL 62 62 31040 1 . ASN 63 63 31040 1 . ASN 64 64 31040 1 . GLY 65 65 31040 1 . ARG 66 66 31040 1 . LEU 67 67 31040 1 . LEU 68 68 31040 1 . LYS 69 69 31040 1 . ASP 70 70 31040 1 . GLY 71 71 31040 1 . PRO 72 72 31040 1 . GLN 73 73 31040 1 . TYR 74 74 31040 1 . ARG 75 75 31040 1 . VAL 76 76 31040 1 . ASN 77 77 31040 1 . TYR 78 78 31040 1 . GLY 79 79 31040 1 . SER 80 80 31040 1 . LEU 81 81 31040 1 . ASP 82 82 31040 1 . GLY 83 83 31040 1 . LYS 84 84 31040 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 31040 _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_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'KAT6B, KIAA0383, MORF, MOZ2, MYST4' . 31040 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 31040 _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_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 31040 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31040 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.33 mM [U-13C; U-15N] MORF-WH, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MORF-WH '[U-13C; U-15N]' . . 1 $entity_1 . . 1.33 . . mM . . . . 31040 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 31040 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 150 . mM 31040 1 pH 6.8 . pH 31040 1 pressure 1 . atm 31040 1 temperature 298 . K 31040 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31040 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31040 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31040 1 'structure calculation' . 31040 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31040 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 31040 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31040 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31040 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31040 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31040 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31040 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31040 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 31040 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 31040 1 2 NMR_spectrometer_2 Varian INOVA . 900 . . . 31040 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 31040 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31040 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31040 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31040 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31040 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31040 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31040 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31040 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31040 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 31040 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 31040 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31040 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 31040 1 2 '2D 1H-13C HSQC' . . . 31040 1 3 '3D HNCACB' . . . 31040 1 4 '3D CBCA(CO)NH' . . . 31040 1 5 '3D HCCH-TOCSY' . . . 31040 1 6 '3D 1H-13C NOESY' . . . 31040 1 7 '3D 1H-15N NOESY' . . . 31040 1 8 '3D 1H-15N TOCSY' . . . 31040 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASN HA H 1 4.803 0.004 . . . . . . A 100 ASN HA . 31040 1 2 . 1 . 1 2 2 ASN HB2 H 1 2.881 0.002 . . . . . . A 100 ASN HB2 . 31040 1 3 . 1 . 1 2 2 ASN HB3 H 1 2.781 0.003 . . . . . . A 100 ASN HB3 . 31040 1 4 . 1 . 1 2 2 ASN HD21 H 1 7.612 0.001 . . . . . . A 100 ASN HD21 . 31040 1 5 . 1 . 1 2 2 ASN HD22 H 1 6.933 0.004 . . . . . . A 100 ASN HD22 . 31040 1 6 . 1 . 1 2 2 ASN CA C 13 53.140 0.055 . . . . . . A 100 ASN CA . 31040 1 7 . 1 . 1 2 2 ASN CB C 13 38.919 0.024 . . . . . . A 100 ASN CB . 31040 1 8 . 1 . 1 2 2 ASN ND2 N 15 112.499 0.183 . . . . . . A 100 ASN ND2 . 31040 1 9 . 1 . 1 3 3 ASP H H 1 8.369 0.004 . . . . . . A 101 ASP H . 31040 1 10 . 1 . 1 3 3 ASP HA H 1 4.617 0.004 . . . . . . A 101 ASP HA . 31040 1 11 . 1 . 1 3 3 ASP HB2 H 1 2.780 0.001 . . . . . . A 101 ASP HB2 . 31040 1 12 . 1 . 1 3 3 ASP HB3 H 1 2.727 0.000 . . . . . . A 101 ASP HB3 . 31040 1 13 . 1 . 1 3 3 ASP CA C 13 54.186 0.052 . . . . . . A 101 ASP CA . 31040 1 14 . 1 . 1 3 3 ASP CB C 13 41.467 0.010 . . . . . . A 101 ASP CB . 31040 1 15 . 1 . 1 3 3 ASP N N 15 121.019 0.112 . . . . . . A 101 ASP N . 31040 1 16 . 1 . 1 4 4 LEU H H 1 8.634 0.005 . . . . . . A 102 LEU H . 31040 1 17 . 1 . 1 4 4 LEU N N 15 118.881 0.051 . . . . . . A 102 LEU N . 31040 1 18 . 1 . 1 5 5 ARG H H 1 8.253 0.002 . . . . . . A 103 ARG H . 31040 1 19 . 1 . 1 5 5 ARG HA H 1 4.213 0.004 . . . . . . A 103 ARG HA . 31040 1 20 . 1 . 1 5 5 ARG HB3 H 1 1.875 0.004 . . . . . . A 103 ARG HB3 . 31040 1 21 . 1 . 1 5 5 ARG HG3 H 1 1.649 0.005 . . . . . . A 103 ARG HG3 . 31040 1 22 . 1 . 1 5 5 ARG HD2 H 1 3.226 0.003 . . . . . . A 103 ARG HD2 . 31040 1 23 . 1 . 1 5 5 ARG CA C 13 58.404 0.018 . . . . . . A 103 ARG CA . 31040 1 24 . 1 . 1 5 5 ARG CB C 13 30.249 0.006 . . . . . . A 103 ARG CB . 31040 1 25 . 1 . 1 5 5 ARG CG C 13 27.052 0.036 . . . . . . A 103 ARG CG . 31040 1 26 . 1 . 1 5 5 ARG CD C 13 43.445 0.052 . . . . . . A 103 ARG CD . 31040 1 27 . 1 . 1 5 5 ARG N N 15 119.688 0.026 . . . . . . A 103 ARG N . 31040 1 28 . 1 . 1 6 6 ASN H H 1 8.425 0.002 . . . . . . A 104 ASN H . 31040 1 29 . 1 . 1 6 6 ASN HA H 1 4.787 0.002 . . . . . . A 104 ASN HA . 31040 1 30 . 1 . 1 6 6 ASN HB2 H 1 2.894 0.004 . . . . . . A 104 ASN HB2 . 31040 1 31 . 1 . 1 6 6 ASN HB3 H 1 2.698 0.002 . . . . . . A 104 ASN HB3 . 31040 1 32 . 1 . 1 6 6 ASN HD21 H 1 6.877 0.001 . . . . . . A 104 ASN HD21 . 31040 1 33 . 1 . 1 6 6 ASN HD22 H 1 7.625 0.004 . . . . . . A 104 ASN HD22 . 31040 1 34 . 1 . 1 6 6 ASN CA C 13 52.962 0.027 . . . . . . A 104 ASN CA . 31040 1 35 . 1 . 1 6 6 ASN CB C 13 38.658 0.047 . . . . . . A 104 ASN CB . 31040 1 36 . 1 . 1 6 6 ASN N N 15 116.057 0.039 . . . . . . A 104 ASN N . 31040 1 37 . 1 . 1 6 6 ASN ND2 N 15 112.857 0.192 . . . . . . A 104 ASN ND2 . 31040 1 38 . 1 . 1 7 7 VAL H H 1 7.193 0.003 . . . . . . A 105 VAL H . 31040 1 39 . 1 . 1 7 7 VAL HA H 1 3.429 0.003 . . . . . . A 105 VAL HA . 31040 1 40 . 1 . 1 7 7 VAL HB H 1 1.259 0.004 . . . . . . A 105 VAL HB . 31040 1 41 . 1 . 1 7 7 VAL HG11 H 1 0.646 0.004 . . . . . . A 105 VAL HG11 . 31040 1 42 . 1 . 1 7 7 VAL HG12 H 1 0.646 0.004 . . . . . . A 105 VAL HG12 . 31040 1 43 . 1 . 1 7 7 VAL HG13 H 1 0.646 0.004 . . . . . . A 105 VAL HG13 . 31040 1 44 . 1 . 1 7 7 VAL HG21 H 1 -0.632 0.002 . . . . . . A 105 VAL HG21 . 31040 1 45 . 1 . 1 7 7 VAL HG22 H 1 -0.632 0.002 . . . . . . A 105 VAL HG22 . 31040 1 46 . 1 . 1 7 7 VAL HG23 H 1 -0.632 0.002 . . . . . . A 105 VAL HG23 . 31040 1 47 . 1 . 1 7 7 VAL CA C 13 62.980 0.021 . . . . . . A 105 VAL CA . 31040 1 48 . 1 . 1 7 7 VAL CB C 13 32.790 0.083 . . . . . . A 105 VAL CB . 31040 1 49 . 1 . 1 7 7 VAL CG1 C 13 22.912 0.034 . . . . . . A 105 VAL CG1 . 31040 1 50 . 1 . 1 7 7 VAL CG2 C 13 19.672 0.037 . . . . . . A 105 VAL CG2 . 31040 1 51 . 1 . 1 7 7 VAL N N 15 121.688 0.044 . . . . . . A 105 VAL N . 31040 1 52 . 1 . 1 8 8 ASP H H 1 8.291 0.003 . . . . . . A 106 ASP H . 31040 1 53 . 1 . 1 8 8 ASP HA H 1 4.680 0.004 . . . . . . A 106 ASP HA . 31040 1 54 . 1 . 1 8 8 ASP HB2 H 1 2.906 0.005 . . . . . . A 106 ASP HB2 . 31040 1 55 . 1 . 1 8 8 ASP HB3 H 1 2.439 0.003 . . . . . . A 106 ASP HB3 . 31040 1 56 . 1 . 1 8 8 ASP CA C 13 51.688 0.021 . . . . . . A 106 ASP CA . 31040 1 57 . 1 . 1 8 8 ASP CB C 13 39.643 0.031 . . . . . . A 106 ASP CB . 31040 1 58 . 1 . 1 8 8 ASP N N 15 126.246 0.028 . . . . . . A 106 ASP N . 31040 1 59 . 1 . 1 9 9 TRP H H 1 7.857 0.004 . . . . . . A 107 TRP H . 31040 1 60 . 1 . 1 9 9 TRP HA H 1 3.976 0.003 . . . . . . A 107 TRP HA . 31040 1 61 . 1 . 1 9 9 TRP HB2 H 1 3.186 0.006 . . . . . . A 107 TRP HB2 . 31040 1 62 . 1 . 1 9 9 TRP HB3 H 1 3.071 0.003 . . . . . . A 107 TRP HB3 . 31040 1 63 . 1 . 1 9 9 TRP HD1 H 1 7.267 0.005 . . . . . . A 107 TRP HD1 . 31040 1 64 . 1 . 1 9 9 TRP HE3 H 1 7.502 0.004 . . . . . . A 107 TRP HE3 . 31040 1 65 . 1 . 1 9 9 TRP CA C 13 60.295 0.040 . . . . . . A 107 TRP CA . 31040 1 66 . 1 . 1 9 9 TRP CB C 13 28.878 0.033 . . . . . . A 107 TRP CB . 31040 1 67 . 1 . 1 9 9 TRP N N 15 126.050 0.020 . . . . . . A 107 TRP N . 31040 1 68 . 1 . 1 10 10 ASN H H 1 8.356 0.004 . . . . . . A 108 ASN H . 31040 1 69 . 1 . 1 10 10 ASN HA H 1 4.308 0.003 . . . . . . A 108 ASN HA . 31040 1 70 . 1 . 1 10 10 ASN HB2 H 1 3.007 0.003 . . . . . . A 108 ASN HB2 . 31040 1 71 . 1 . 1 10 10 ASN HB3 H 1 2.739 0.002 . . . . . . A 108 ASN HB3 . 31040 1 72 . 1 . 1 10 10 ASN HD21 H 1 6.857 0.002 . . . . . . A 108 ASN HD21 . 31040 1 73 . 1 . 1 10 10 ASN HD22 H 1 7.846 0.003 . . . . . . A 108 ASN HD22 . 31040 1 74 . 1 . 1 10 10 ASN CA C 13 57.166 0.059 . . . . . . A 108 ASN CA . 31040 1 75 . 1 . 1 10 10 ASN CB C 13 38.141 0.036 . . . . . . A 108 ASN CB . 31040 1 76 . 1 . 1 10 10 ASN N N 15 116.664 0.014 . . . . . . A 108 ASN N . 31040 1 77 . 1 . 1 10 10 ASN ND2 N 15 113.022 0.190 . . . . . . A 108 ASN ND2 . 31040 1 78 . 1 . 1 11 11 LYS H H 1 7.605 0.004 . . . . . . A 109 LYS H . 31040 1 79 . 1 . 1 11 11 LYS HA H 1 3.935 0.004 . . . . . . A 109 LYS HA . 31040 1 80 . 1 . 1 11 11 LYS HB2 H 1 1.798 0.006 . . . . . . A 109 LYS HB2 . 31040 1 81 . 1 . 1 11 11 LYS HG2 H 1 1.544 0.000 . . . . . . A 109 LYS HG2 . 31040 1 82 . 1 . 1 11 11 LYS HG3 H 1 1.403 0.000 . . . . . . A 109 LYS HG3 . 31040 1 83 . 1 . 1 11 11 LYS HD2 H 1 1.712 0.000 . . . . . . A 109 LYS HD2 . 31040 1 84 . 1 . 1 11 11 LYS HE2 H 1 2.999 0.000 . . . . . . A 109 LYS HE2 . 31040 1 85 . 1 . 1 11 11 LYS CA C 13 59.485 0.075 . . . . . . A 109 LYS CA . 31040 1 86 . 1 . 1 11 11 LYS CB C 13 32.331 0.022 . . . . . . A 109 LYS CB . 31040 1 87 . 1 . 1 11 11 LYS CG C 13 24.779 0.001 . . . . . . A 109 LYS CG . 31040 1 88 . 1 . 1 11 11 LYS CD C 13 29.319 0.000 . . . . . . A 109 LYS CD . 31040 1 89 . 1 . 1 11 11 LYS CE C 13 41.734 0.000 . . . . . . A 109 LYS CE . 31040 1 90 . 1 . 1 11 11 LYS N N 15 120.603 0.041 . . . . . . A 109 LYS N . 31040 1 91 . 1 . 1 12 12 LEU H H 1 7.766 0.002 . . . . . . A 110 LEU H . 31040 1 92 . 1 . 1 12 12 LEU HA H 1 3.983 0.003 . . . . . . A 110 LEU HA . 31040 1 93 . 1 . 1 12 12 LEU HB3 H 1 1.780 0.002 . . . . . . A 110 LEU HB3 . 31040 1 94 . 1 . 1 12 12 LEU HD21 H 1 0.796 0.002 . . . . . . A 110 LEU HD21 . 31040 1 95 . 1 . 1 12 12 LEU HD22 H 1 0.796 0.002 . . . . . . A 110 LEU HD22 . 31040 1 96 . 1 . 1 12 12 LEU HD23 H 1 0.796 0.002 . . . . . . A 110 LEU HD23 . 31040 1 97 . 1 . 1 12 12 LEU CD2 C 13 24.152 0.000 . . . . . . A 110 LEU CD2 . 31040 1 98 . 1 . 1 12 12 LEU N N 15 119.454 0.057 . . . . . . A 110 LEU N . 31040 1 99 . 1 . 1 13 13 LEU H H 1 8.610 0.005 . . . . . . A 111 LEU H . 31040 1 100 . 1 . 1 13 13 LEU HA H 1 3.850 0.004 . . . . . . A 111 LEU HA . 31040 1 101 . 1 . 1 13 13 LEU HB3 H 1 2.015 0.002 . . . . . . A 111 LEU HB3 . 31040 1 102 . 1 . 1 13 13 LEU N N 15 118.684 0.045 . . . . . . A 111 LEU N . 31040 1 103 . 1 . 1 14 14 ARG H H 1 7.839 0.005 . . . . . . A 112 ARG H . 31040 1 104 . 1 . 1 14 14 ARG HA H 1 3.705 0.002 . . . . . . A 112 ARG HA . 31040 1 105 . 1 . 1 14 14 ARG HB2 H 1 1.866 0.006 . . . . . . A 112 ARG HB2 . 31040 1 106 . 1 . 1 14 14 ARG HB3 H 1 1.783 0.007 . . . . . . A 112 ARG HB3 . 31040 1 107 . 1 . 1 14 14 ARG HG2 H 1 1.620 0.005 . . . . . . A 112 ARG HG2 . 31040 1 108 . 1 . 1 14 14 ARG HG3 H 1 1.474 0.005 . . . . . . A 112 ARG HG3 . 31040 1 109 . 1 . 1 14 14 ARG HD2 H 1 3.145 0.001 . . . . . . A 112 ARG HD2 . 31040 1 110 . 1 . 1 14 14 ARG HD3 H 1 3.090 0.007 . . . . . . A 112 ARG HD3 . 31040 1 111 . 1 . 1 14 14 ARG CA C 13 60.271 0.032 . . . . . . A 112 ARG CA . 31040 1 112 . 1 . 1 14 14 ARG CB C 13 29.972 0.018 . . . . . . A 112 ARG CB . 31040 1 113 . 1 . 1 14 14 ARG CG C 13 27.328 0.011 . . . . . . A 112 ARG CG . 31040 1 114 . 1 . 1 14 14 ARG CD C 13 44.012 0.062 . . . . . . A 112 ARG CD . 31040 1 115 . 1 . 1 14 14 ARG N N 15 117.756 0.024 . . . . . . A 112 ARG N . 31040 1 116 . 1 . 1 15 15 ARG H H 1 8.172 0.003 . . . . . . A 113 ARG H . 31040 1 117 . 1 . 1 15 15 ARG HA H 1 4.098 0.005 . . . . . . A 113 ARG HA . 31040 1 118 . 1 . 1 15 15 ARG HB2 H 1 2.053 0.006 . . . . . . A 113 ARG HB2 . 31040 1 119 . 1 . 1 15 15 ARG HB3 H 1 2.103 0.004 . . . . . . A 113 ARG HB3 . 31040 1 120 . 1 . 1 15 15 ARG HG2 H 1 1.451 0.009 . . . . . . A 113 ARG HG2 . 31040 1 121 . 1 . 1 15 15 ARG HG3 H 1 1.980 0.000 . . . . . . A 113 ARG HG3 . 31040 1 122 . 1 . 1 15 15 ARG HD2 H 1 2.837 0.004 . . . . . . A 113 ARG HD2 . 31040 1 123 . 1 . 1 15 15 ARG HD3 H 1 3.374 0.005 . . . . . . A 113 ARG HD3 . 31040 1 124 . 1 . 1 15 15 ARG CA C 13 58.895 0.093 . . . . . . A 113 ARG CA . 31040 1 125 . 1 . 1 15 15 ARG CB C 13 30.279 0.030 . . . . . . A 113 ARG CB . 31040 1 126 . 1 . 1 15 15 ARG CG C 13 26.789 0.030 . . . . . . A 113 ARG CG . 31040 1 127 . 1 . 1 15 15 ARG CD C 13 44.822 0.043 . . . . . . A 113 ARG CD . 31040 1 128 . 1 . 1 15 15 ARG N N 15 118.307 0.027 . . . . . . A 113 ARG N . 31040 1 129 . 1 . 1 16 16 ALA H H 1 8.075 0.003 . . . . . . A 114 ALA H . 31040 1 130 . 1 . 1 16 16 ALA HA H 1 3.751 0.003 . . . . . . A 114 ALA HA . 31040 1 131 . 1 . 1 16 16 ALA HB1 H 1 1.514 0.009 . . . . . . A 114 ALA HB1 . 31040 1 132 . 1 . 1 16 16 ALA HB2 H 1 1.514 0.009 . . . . . . A 114 ALA HB2 . 31040 1 133 . 1 . 1 16 16 ALA HB3 H 1 1.514 0.009 . . . . . . A 114 ALA HB3 . 31040 1 134 . 1 . 1 16 16 ALA CA C 13 54.202 0.040 . . . . . . A 114 ALA CA . 31040 1 135 . 1 . 1 16 16 ALA CB C 13 20.952 0.047 . . . . . . A 114 ALA CB . 31040 1 136 . 1 . 1 16 16 ALA N N 15 119.938 0.044 . . . . . . A 114 ALA N . 31040 1 137 . 1 . 1 17 17 ILE H H 1 8.266 0.003 . . . . . . A 115 ILE H . 31040 1 138 . 1 . 1 17 17 ILE HA H 1 3.402 0.002 . . . . . . A 115 ILE HA . 31040 1 139 . 1 . 1 17 17 ILE HG21 H 1 1.179 0.007 . . . . . . A 115 ILE HG21 . 31040 1 140 . 1 . 1 17 17 ILE HG22 H 1 1.179 0.007 . . . . . . A 115 ILE HG22 . 31040 1 141 . 1 . 1 17 17 ILE HG23 H 1 1.179 0.007 . . . . . . A 115 ILE HG23 . 31040 1 142 . 1 . 1 17 17 ILE HD11 H 1 0.635 0.007 . . . . . . A 115 ILE HD11 . 31040 1 143 . 1 . 1 17 17 ILE HD12 H 1 0.635 0.007 . . . . . . A 115 ILE HD12 . 31040 1 144 . 1 . 1 17 17 ILE HD13 H 1 0.635 0.007 . . . . . . A 115 ILE HD13 . 31040 1 145 . 1 . 1 17 17 ILE CB C 13 38.715 0.000 . . . . . . A 115 ILE CB . 31040 1 146 . 1 . 1 17 17 ILE CG2 C 13 18.968 0.002 . . . . . . A 115 ILE CG2 . 31040 1 147 . 1 . 1 17 17 ILE CD1 C 13 15.641 0.000 . . . . . . A 115 ILE CD1 . 31040 1 148 . 1 . 1 17 17 ILE N N 15 117.772 0.023 . . . . . . A 115 ILE N . 31040 1 149 . 1 . 1 18 18 GLU H H 1 8.750 0.003 . . . . . . A 116 GLU H . 31040 1 150 . 1 . 1 18 18 GLU HA H 1 4.102 0.003 . . . . . . A 116 GLU HA . 31040 1 151 . 1 . 1 18 18 GLU HB2 H 1 2.094 0.004 . . . . . . A 116 GLU HB2 . 31040 1 152 . 1 . 1 18 18 GLU HB3 H 1 1.910 0.006 . . . . . . A 116 GLU HB3 . 31040 1 153 . 1 . 1 18 18 GLU HG2 H 1 2.597 0.003 . . . . . . A 116 GLU HG2 . 31040 1 154 . 1 . 1 18 18 GLU HG3 H 1 2.334 0.002 . . . . . . A 116 GLU HG3 . 31040 1 155 . 1 . 1 18 18 GLU CA C 13 59.177 0.049 . . . . . . A 116 GLU CA . 31040 1 156 . 1 . 1 18 18 GLU CB C 13 28.891 0.061 . . . . . . A 116 GLU CB . 31040 1 157 . 1 . 1 18 18 GLU CG C 13 37.897 0.019 . . . . . . A 116 GLU CG . 31040 1 158 . 1 . 1 18 18 GLU N N 15 118.761 0.039 . . . . . . A 116 GLU N . 31040 1 159 . 1 . 1 19 19 GLY H H 1 7.875 0.005 . . . . . . A 117 GLY H . 31040 1 160 . 1 . 1 19 19 GLY HA2 H 1 3.860 0.004 . . . . . . A 117 GLY HA2 . 31040 1 161 . 1 . 1 19 19 GLY HA3 H 1 3.402 0.007 . . . . . . A 117 GLY HA3 . 31040 1 162 . 1 . 1 19 19 GLY CA C 13 45.947 0.062 . . . . . . A 117 GLY CA . 31040 1 163 . 1 . 1 19 19 GLY N N 15 107.583 0.041 . . . . . . A 117 GLY N . 31040 1 164 . 1 . 1 20 20 LEU H H 1 7.730 0.004 . . . . . . A 118 LEU H . 31040 1 165 . 1 . 1 20 20 LEU HA H 1 4.012 0.001 . . . . . . A 118 LEU HA . 31040 1 166 . 1 . 1 20 20 LEU HB3 H 1 1.803 0.002 . . . . . . A 118 LEU HB3 . 31040 1 167 . 1 . 1 20 20 LEU HG H 1 1.369 0.007 . . . . . . A 118 LEU HG . 31040 1 168 . 1 . 1 20 20 LEU HD11 H 1 0.712 0.005 . . . . . . A 118 LEU HD11 . 31040 1 169 . 1 . 1 20 20 LEU HD12 H 1 0.712 0.005 . . . . . . A 118 LEU HD12 . 31040 1 170 . 1 . 1 20 20 LEU HD13 H 1 0.712 0.005 . . . . . . A 118 LEU HD13 . 31040 1 171 . 1 . 1 20 20 LEU HD21 H 1 1.009 0.004 . . . . . . A 118 LEU HD21 . 31040 1 172 . 1 . 1 20 20 LEU HD22 H 1 1.009 0.004 . . . . . . A 118 LEU HD22 . 31040 1 173 . 1 . 1 20 20 LEU HD23 H 1 1.009 0.004 . . . . . . A 118 LEU HD23 . 31040 1 174 . 1 . 1 20 20 LEU CD1 C 13 25.844 0.000 . . . . . . A 118 LEU CD1 . 31040 1 175 . 1 . 1 20 20 LEU CD2 C 13 23.716 0.000 . . . . . . A 118 LEU CD2 . 31040 1 176 . 1 . 1 20 20 LEU N N 15 121.600 0.028 . . . . . . A 118 LEU N . 31040 1 177 . 1 . 1 21 21 GLU H H 1 7.375 0.003 . . . . . . A 119 GLU H . 31040 1 178 . 1 . 1 21 21 GLU HA H 1 3.824 0.002 . . . . . . A 119 GLU HA . 31040 1 179 . 1 . 1 21 21 GLU HB2 H 1 2.216 0.005 . . . . . . A 119 GLU HB2 . 31040 1 180 . 1 . 1 21 21 GLU HB3 H 1 1.910 0.002 . . . . . . A 119 GLU HB3 . 31040 1 181 . 1 . 1 21 21 GLU HG2 H 1 2.251 0.000 . . . . . . A 119 GLU HG2 . 31040 1 182 . 1 . 1 21 21 GLU HG3 H 1 2.227 0.001 . . . . . . A 119 GLU HG3 . 31040 1 183 . 1 . 1 21 21 GLU CA C 13 56.971 0.036 . . . . . . A 119 GLU CA . 31040 1 184 . 1 . 1 21 21 GLU CB C 13 29.186 0.036 . . . . . . A 119 GLU CB . 31040 1 185 . 1 . 1 21 21 GLU CG C 13 37.206 0.038 . . . . . . A 119 GLU CG . 31040 1 186 . 1 . 1 21 21 GLU N N 15 114.628 0.014 . . . . . . A 119 GLU N . 31040 1 187 . 1 . 1 22 22 GLU H H 1 8.902 0.004 . . . . . . A 120 GLU H . 31040 1 188 . 1 . 1 22 22 GLU HA H 1 4.615 0.003 . . . . . . A 120 GLU HA . 31040 1 189 . 1 . 1 22 22 GLU HB2 H 1 2.149 0.000 . . . . . . A 120 GLU HB2 . 31040 1 190 . 1 . 1 22 22 GLU HB3 H 1 1.811 0.003 . . . . . . A 120 GLU HB3 . 31040 1 191 . 1 . 1 22 22 GLU HG2 H 1 2.151 0.002 . . . . . . A 120 GLU HG2 . 31040 1 192 . 1 . 1 22 22 GLU HG3 H 1 2.085 0.001 . . . . . . A 120 GLU HG3 . 31040 1 193 . 1 . 1 22 22 GLU CA C 13 55.231 0.085 . . . . . . A 120 GLU CA . 31040 1 194 . 1 . 1 22 22 GLU CB C 13 29.769 0.000 . . . . . . A 120 GLU CB . 31040 1 195 . 1 . 1 22 22 GLU CG C 13 39.275 0.027 . . . . . . A 120 GLU CG . 31040 1 196 . 1 . 1 22 22 GLU N N 15 120.967 0.041 . . . . . . A 120 GLU N . 31040 1 197 . 1 . 1 23 23 PRO HA H 1 4.300 0.004 . . . . . . A 121 PRO HA . 31040 1 198 . 1 . 1 23 23 PRO HB2 H 1 2.356 0.003 . . . . . . A 121 PRO HB2 . 31040 1 199 . 1 . 1 23 23 PRO HB3 H 1 1.924 0.006 . . . . . . A 121 PRO HB3 . 31040 1 200 . 1 . 1 23 23 PRO HG3 H 1 2.107 0.003 . . . . . . A 121 PRO HG3 . 31040 1 201 . 1 . 1 23 23 PRO HD2 H 1 3.968 0.004 . . . . . . A 121 PRO HD2 . 31040 1 202 . 1 . 1 23 23 PRO HD3 H 1 3.884 0.004 . . . . . . A 121 PRO HD3 . 31040 1 203 . 1 . 1 23 23 PRO CA C 13 65.418 0.031 . . . . . . A 121 PRO CA . 31040 1 204 . 1 . 1 23 23 PRO CB C 13 32.001 0.029 . . . . . . A 121 PRO CB . 31040 1 205 . 1 . 1 23 23 PRO CG C 13 27.703 0.006 . . . . . . A 121 PRO CG . 31040 1 206 . 1 . 1 23 23 PRO CD C 13 50.742 0.046 . . . . . . A 121 PRO CD . 31040 1 207 . 1 . 1 24 24 ASN H H 1 8.706 0.005 . . . . . . A 122 ASN H . 31040 1 208 . 1 . 1 24 24 ASN HA H 1 4.899 0.004 . . . . . . A 122 ASN HA . 31040 1 209 . 1 . 1 24 24 ASN HB2 H 1 2.933 0.003 . . . . . . A 122 ASN HB2 . 31040 1 210 . 1 . 1 24 24 ASN HB3 H 1 2.641 0.003 . . . . . . A 122 ASN HB3 . 31040 1 211 . 1 . 1 24 24 ASN HD21 H 1 6.942 0.002 . . . . . . A 122 ASN HD21 . 31040 1 212 . 1 . 1 24 24 ASN HD22 H 1 7.518 0.003 . . . . . . A 122 ASN HD22 . 31040 1 213 . 1 . 1 24 24 ASN CA C 13 52.421 0.039 . . . . . . A 122 ASN CA . 31040 1 214 . 1 . 1 24 24 ASN CB C 13 38.939 0.012 . . . . . . A 122 ASN CB . 31040 1 215 . 1 . 1 24 24 ASN N N 15 115.575 0.040 . . . . . . A 122 ASN N . 31040 1 216 . 1 . 1 24 24 ASN ND2 N 15 112.852 0.175 . . . . . . A 122 ASN ND2 . 31040 1 217 . 1 . 1 25 25 GLY H H 1 7.470 0.004 . . . . . . A 123 GLY H . 31040 1 218 . 1 . 1 25 25 GLY HA2 H 1 4.257 0.004 . . . . . . A 123 GLY HA2 . 31040 1 219 . 1 . 1 25 25 GLY HA3 H 1 3.947 0.003 . . . . . . A 123 GLY HA3 . 31040 1 220 . 1 . 1 25 25 GLY CA C 13 44.925 0.023 . . . . . . A 123 GLY CA . 31040 1 221 . 1 . 1 25 25 GLY N N 15 106.590 0.026 . . . . . . A 123 GLY N . 31040 1 222 . 1 . 1 26 26 SER H H 1 8.674 0.009 . . . . . . A 124 SER H . 31040 1 223 . 1 . 1 26 26 SER HA H 1 5.387 0.005 . . . . . . A 124 SER HA . 31040 1 224 . 1 . 1 26 26 SER HB2 H 1 3.982 0.005 . . . . . . A 124 SER HB2 . 31040 1 225 . 1 . 1 26 26 SER HB3 H 1 3.220 0.003 . . . . . . A 124 SER HB3 . 31040 1 226 . 1 . 1 26 26 SER CA C 13 58.023 0.061 . . . . . . A 124 SER CA . 31040 1 227 . 1 . 1 26 26 SER CB C 13 68.477 0.050 . . . . . . A 124 SER CB . 31040 1 228 . 1 . 1 26 26 SER N N 15 111.544 0.042 . . . . . . A 124 SER N . 31040 1 229 . 1 . 1 27 27 SER H H 1 9.331 0.007 . . . . . . A 125 SER H . 31040 1 230 . 1 . 1 27 27 SER HA H 1 5.338 0.004 . . . . . . A 125 SER HA . 31040 1 231 . 1 . 1 27 27 SER HB2 H 1 4.467 0.003 . . . . . . A 125 SER HB2 . 31040 1 232 . 1 . 1 27 27 SER HB3 H 1 4.063 0.005 . . . . . . A 125 SER HB3 . 31040 1 233 . 1 . 1 27 27 SER CA C 13 56.452 0.035 . . . . . . A 125 SER CA . 31040 1 234 . 1 . 1 27 27 SER CB C 13 65.050 0.054 . . . . . . A 125 SER CB . 31040 1 235 . 1 . 1 27 27 SER N N 15 120.963 0.030 . . . . . . A 125 SER N . 31040 1 236 . 1 . 1 28 28 LEU H H 1 9.378 0.003 . . . . . . A 126 LEU H . 31040 1 237 . 1 . 1 28 28 LEU HB3 H 1 1.765 0.002 . . . . . . A 126 LEU HB3 . 31040 1 238 . 1 . 1 28 28 LEU HG H 1 1.576 0.000 . . . . . . A 126 LEU HG . 31040 1 239 . 1 . 1 28 28 LEU HD11 H 1 0.507 0.005 . . . . . . A 126 LEU HD11 . 31040 1 240 . 1 . 1 28 28 LEU HD12 H 1 0.507 0.005 . . . . . . A 126 LEU HD12 . 31040 1 241 . 1 . 1 28 28 LEU HD13 H 1 0.507 0.005 . . . . . . A 126 LEU HD13 . 31040 1 242 . 1 . 1 28 28 LEU HD21 H 1 0.639 0.005 . . . . . . A 126 LEU HD21 . 31040 1 243 . 1 . 1 28 28 LEU HD22 H 1 0.639 0.005 . . . . . . A 126 LEU HD22 . 31040 1 244 . 1 . 1 28 28 LEU HD23 H 1 0.639 0.005 . . . . . . A 126 LEU HD23 . 31040 1 245 . 1 . 1 28 28 LEU CD1 C 13 24.049 0.000 . . . . . . A 126 LEU CD1 . 31040 1 246 . 1 . 1 28 28 LEU CD2 C 13 24.543 0.000 . . . . . . A 126 LEU CD2 . 31040 1 247 . 1 . 1 28 28 LEU N N 15 121.767 0.019 . . . . . . A 126 LEU N . 31040 1 248 . 1 . 1 29 29 LYS HA H 1 4.147 0.002 . . . . . . A 127 LYS HA . 31040 1 249 . 1 . 1 29 29 LYS CA C 13 59.776 0.180 . . . . . . A 127 LYS CA . 31040 1 250 . 1 . 1 29 29 LYS CB C 13 32.351 0.000 . . . . . . A 127 LYS CB . 31040 1 251 . 1 . 1 30 30 ASN H H 1 7.771 0.005 . . . . . . A 128 ASN H . 31040 1 252 . 1 . 1 30 30 ASN HA H 1 4.732 0.007 . . . . . . A 128 ASN HA . 31040 1 253 . 1 . 1 30 30 ASN HB2 H 1 3.009 0.003 . . . . . . A 128 ASN HB2 . 31040 1 254 . 1 . 1 30 30 ASN HB3 H 1 2.764 0.003 . . . . . . A 128 ASN HB3 . 31040 1 255 . 1 . 1 30 30 ASN HD21 H 1 6.945 0.002 . . . . . . A 128 ASN HD21 . 31040 1 256 . 1 . 1 30 30 ASN HD22 H 1 8.678 0.003 . . . . . . A 128 ASN HD22 . 31040 1 257 . 1 . 1 30 30 ASN CA C 13 55.510 0.064 . . . . . . A 128 ASN CA . 31040 1 258 . 1 . 1 30 30 ASN CB C 13 37.079 0.040 . . . . . . A 128 ASN CB . 31040 1 259 . 1 . 1 30 30 ASN N N 15 120.749 0.027 . . . . . . A 128 ASN N . 31040 1 260 . 1 . 1 30 30 ASN ND2 N 15 114.121 0.191 . . . . . . A 128 ASN ND2 . 31040 1 261 . 1 . 1 31 31 ILE H H 1 8.752 0.006 . . . . . . A 129 ILE H . 31040 1 262 . 1 . 1 31 31 ILE HD11 H 1 0.534 0.007 . . . . . . A 129 ILE HD11 . 31040 1 263 . 1 . 1 31 31 ILE HD12 H 1 0.534 0.007 . . . . . . A 129 ILE HD12 . 31040 1 264 . 1 . 1 31 31 ILE HD13 H 1 0.534 0.007 . . . . . . A 129 ILE HD13 . 31040 1 265 . 1 . 1 31 31 ILE CD1 C 13 13.528 0.000 . . . . . . A 129 ILE CD1 . 31040 1 266 . 1 . 1 31 31 ILE N N 15 124.295 0.018 . . . . . . A 129 ILE N . 31040 1 267 . 1 . 1 32 32 GLU H H 1 8.622 0.005 . . . . . . A 130 GLU H . 31040 1 268 . 1 . 1 32 32 GLU HA H 1 3.815 0.002 . . . . . . A 130 GLU HA . 31040 1 269 . 1 . 1 32 32 GLU HB2 H 1 2.084 0.001 . . . . . . A 130 GLU HB2 . 31040 1 270 . 1 . 1 32 32 GLU HB3 H 1 2.241 0.004 . . . . . . A 130 GLU HB3 . 31040 1 271 . 1 . 1 32 32 GLU HG2 H 1 2.326 0.005 . . . . . . A 130 GLU HG2 . 31040 1 272 . 1 . 1 32 32 GLU HG3 H 1 2.384 0.009 . . . . . . A 130 GLU HG3 . 31040 1 273 . 1 . 1 32 32 GLU CA C 13 60.861 0.031 . . . . . . A 130 GLU CA . 31040 1 274 . 1 . 1 32 32 GLU CB C 13 29.374 0.035 . . . . . . A 130 GLU CB . 31040 1 275 . 1 . 1 32 32 GLU CG C 13 36.420 0.032 . . . . . . A 130 GLU CG . 31040 1 276 . 1 . 1 32 32 GLU N N 15 120.599 0.025 . . . . . . A 130 GLU N . 31040 1 277 . 1 . 1 33 33 LYS H H 1 7.818 0.004 . . . . . . A 131 LYS H . 31040 1 278 . 1 . 1 33 33 LYS HA H 1 3.938 0.004 . . . . . . A 131 LYS HA . 31040 1 279 . 1 . 1 33 33 LYS HB2 H 1 2.007 0.002 . . . . . . A 131 LYS HB2 . 31040 1 280 . 1 . 1 33 33 LYS HB3 H 1 2.085 0.004 . . . . . . A 131 LYS HB3 . 31040 1 281 . 1 . 1 33 33 LYS HG2 H 1 1.607 0.000 . . . . . . A 131 LYS HG2 . 31040 1 282 . 1 . 1 33 33 LYS HG3 H 1 1.410 0.000 . . . . . . A 131 LYS HG3 . 31040 1 283 . 1 . 1 33 33 LYS CA C 13 59.997 0.041 . . . . . . A 131 LYS CA . 31040 1 284 . 1 . 1 33 33 LYS CB C 13 32.504 0.024 . . . . . . A 131 LYS CB . 31040 1 285 . 1 . 1 33 33 LYS CG C 13 24.740 0.056 . . . . . . A 131 LYS CG . 31040 1 286 . 1 . 1 33 33 LYS N N 15 118.872 0.034 . . . . . . A 131 LYS N . 31040 1 287 . 1 . 1 34 34 TYR H H 1 8.541 0.003 . . . . . . A 132 TYR H . 31040 1 288 . 1 . 1 34 34 TYR HA H 1 4.093 0.003 . . . . . . A 132 TYR HA . 31040 1 289 . 1 . 1 34 34 TYR HB2 H 1 3.200 0.011 . . . . . . A 132 TYR HB2 . 31040 1 290 . 1 . 1 34 34 TYR HB3 H 1 3.175 0.009 . . . . . . A 132 TYR HB3 . 31040 1 291 . 1 . 1 34 34 TYR HD1 H 1 6.918 0.004 . . . . . . A 132 TYR HD1 . 31040 1 292 . 1 . 1 34 34 TYR HD2 H 1 6.918 0.004 . . . . . . A 132 TYR HD2 . 31040 1 293 . 1 . 1 34 34 TYR HE1 H 1 6.534 0.003 . . . . . . A 132 TYR HE1 . 31040 1 294 . 1 . 1 34 34 TYR HE2 H 1 6.534 0.003 . . . . . . A 132 TYR HE2 . 31040 1 295 . 1 . 1 34 34 TYR CA C 13 62.270 0.050 . . . . . . A 132 TYR CA . 31040 1 296 . 1 . 1 34 34 TYR CB C 13 38.273 0.036 . . . . . . A 132 TYR CB . 31040 1 297 . 1 . 1 34 34 TYR N N 15 119.960 0.042 . . . . . . A 132 TYR N . 31040 1 298 . 1 . 1 35 35 LEU H H 1 8.785 0.004 . . . . . . A 133 LEU H . 31040 1 299 . 1 . 1 35 35 LEU HA H 1 3.956 0.002 . . . . . . A 133 LEU HA . 31040 1 300 . 1 . 1 35 35 LEU HB3 H 1 2.245 0.002 . . . . . . A 133 LEU HB3 . 31040 1 301 . 1 . 1 35 35 LEU N N 15 121.211 0.066 . . . . . . A 133 LEU N . 31040 1 302 . 1 . 1 36 36 ARG H H 1 8.498 0.003 . . . . . . A 134 ARG H . 31040 1 303 . 1 . 1 36 36 ARG HA H 1 3.869 0.004 . . . . . . A 134 ARG HA . 31040 1 304 . 1 . 1 36 36 ARG HB2 H 1 1.996 0.003 . . . . . . A 134 ARG HB2 . 31040 1 305 . 1 . 1 36 36 ARG HB3 H 1 1.837 0.009 . . . . . . A 134 ARG HB3 . 31040 1 306 . 1 . 1 36 36 ARG HG2 H 1 1.871 0.000 . . . . . . A 134 ARG HG2 . 31040 1 307 . 1 . 1 36 36 ARG HG3 H 1 1.442 0.006 . . . . . . A 134 ARG HG3 . 31040 1 308 . 1 . 1 36 36 ARG HD3 H 1 3.224 0.002 . . . . . . A 134 ARG HD3 . 31040 1 309 . 1 . 1 36 36 ARG CA C 13 59.761 0.031 . . . . . . A 134 ARG CA . 31040 1 310 . 1 . 1 36 36 ARG CB C 13 29.928 0.010 . . . . . . A 134 ARG CB . 31040 1 311 . 1 . 1 36 36 ARG CG C 13 29.747 0.006 . . . . . . A 134 ARG CG . 31040 1 312 . 1 . 1 36 36 ARG CD C 13 43.118 0.019 . . . . . . A 134 ARG CD . 31040 1 313 . 1 . 1 36 36 ARG N N 15 116.907 0.015 . . . . . . A 134 ARG N . 31040 1 314 . 1 . 1 37 37 SER H H 1 7.474 0.004 . . . . . . A 135 SER H . 31040 1 315 . 1 . 1 37 37 SER HA H 1 4.427 0.003 . . . . . . A 135 SER HA . 31040 1 316 . 1 . 1 37 37 SER HB2 H 1 3.946 0.008 . . . . . . A 135 SER HB2 . 31040 1 317 . 1 . 1 37 37 SER HB3 H 1 3.864 0.004 . . . . . . A 135 SER HB3 . 31040 1 318 . 1 . 1 37 37 SER CA C 13 58.981 0.027 . . . . . . A 135 SER CA . 31040 1 319 . 1 . 1 37 37 SER CB C 13 64.149 0.047 . . . . . . A 135 SER CB . 31040 1 320 . 1 . 1 37 37 SER N N 15 113.069 0.030 . . . . . . A 135 SER N . 31040 1 321 . 1 . 1 38 38 GLN H H 1 7.150 0.005 . . . . . . A 136 GLN H . 31040 1 322 . 1 . 1 38 38 GLN HA H 1 4.339 0.004 . . . . . . A 136 GLN HA . 31040 1 323 . 1 . 1 38 38 GLN HB2 H 1 2.214 0.003 . . . . . . A 136 GLN HB2 . 31040 1 324 . 1 . 1 38 38 GLN HB3 H 1 2.072 0.003 . . . . . . A 136 GLN HB3 . 31040 1 325 . 1 . 1 38 38 GLN HG2 H 1 2.565 0.003 . . . . . . A 136 GLN HG2 . 31040 1 326 . 1 . 1 38 38 GLN HG3 H 1 1.776 0.003 . . . . . . A 136 GLN HG3 . 31040 1 327 . 1 . 1 38 38 GLN HE21 H 1 5.981 0.004 . . . . . . A 136 GLN HE21 . 31040 1 328 . 1 . 1 38 38 GLN HE22 H 1 6.573 0.003 . . . . . . A 136 GLN HE22 . 31040 1 329 . 1 . 1 38 38 GLN CA C 13 53.438 0.025 . . . . . . A 136 GLN CA . 31040 1 330 . 1 . 1 38 38 GLN CB C 13 28.107 0.035 . . . . . . A 136 GLN CB . 31040 1 331 . 1 . 1 38 38 GLN CG C 13 32.602 0.054 . . . . . . A 136 GLN CG . 31040 1 332 . 1 . 1 38 38 GLN N N 15 119.776 0.032 . . . . . . A 136 GLN N . 31040 1 333 . 1 . 1 38 38 GLN NE2 N 15 114.711 0.185 . . . . . . A 136 GLN NE2 . 31040 1 334 . 1 . 1 39 39 SER HA H 1 4.064 0.003 . . . . . . A 137 SER HA . 31040 1 335 . 1 . 1 39 39 SER HB3 H 1 3.945 0.001 . . . . . . A 137 SER HB3 . 31040 1 336 . 1 . 1 39 39 SER CA C 13 61.429 0.022 . . . . . . A 137 SER CA . 31040 1 337 . 1 . 1 39 39 SER CB C 13 62.725 0.046 . . . . . . A 137 SER CB . 31040 1 338 . 1 . 1 40 40 ASP H H 1 9.051 0.007 . . . . . . A 138 ASP H . 31040 1 339 . 1 . 1 40 40 ASP HA H 1 4.546 0.003 . . . . . . A 138 ASP HA . 31040 1 340 . 1 . 1 40 40 ASP HB2 H 1 2.727 0.005 . . . . . . A 138 ASP HB2 . 31040 1 341 . 1 . 1 40 40 ASP HB3 H 1 2.650 0.005 . . . . . . A 138 ASP HB3 . 31040 1 342 . 1 . 1 40 40 ASP CA C 13 54.785 0.056 . . . . . . A 138 ASP CA . 31040 1 343 . 1 . 1 40 40 ASP CB C 13 39.347 0.026 . . . . . . A 138 ASP CB . 31040 1 344 . 1 . 1 40 40 ASP N N 15 116.789 0.029 . . . . . . A 138 ASP N . 31040 1 345 . 1 . 1 41 41 LEU H H 1 7.315 0.005 . . . . . . A 139 LEU H . 31040 1 346 . 1 . 1 41 41 LEU HB2 H 1 1.851 0.001 . . . . . . A 139 LEU HB2 . 31040 1 347 . 1 . 1 41 41 LEU HB3 H 1 1.552 0.004 . . . . . . A 139 LEU HB3 . 31040 1 348 . 1 . 1 41 41 LEU N N 15 117.294 0.027 . . . . . . A 139 LEU N . 31040 1 349 . 1 . 1 42 42 THR H H 1 7.338 0.004 . . . . . . A 140 THR H . 31040 1 350 . 1 . 1 42 42 THR HA H 1 3.788 0.003 . . . . . . A 140 THR HA . 31040 1 351 . 1 . 1 42 42 THR HB H 1 4.055 0.003 . . . . . . A 140 THR HB . 31040 1 352 . 1 . 1 42 42 THR HG21 H 1 1.191 0.002 . . . . . . A 140 THR HG21 . 31040 1 353 . 1 . 1 42 42 THR HG22 H 1 1.191 0.002 . . . . . . A 140 THR HG22 . 31040 1 354 . 1 . 1 42 42 THR HG23 H 1 1.191 0.002 . . . . . . A 140 THR HG23 . 31040 1 355 . 1 . 1 42 42 THR CA C 13 66.662 0.048 . . . . . . A 140 THR CA . 31040 1 356 . 1 . 1 42 42 THR CB C 13 68.840 0.055 . . . . . . A 140 THR CB . 31040 1 357 . 1 . 1 42 42 THR CG2 C 13 21.871 0.038 . . . . . . A 140 THR CG2 . 31040 1 358 . 1 . 1 42 42 THR N N 15 116.833 0.015 . . . . . . A 140 THR N . 31040 1 359 . 1 . 1 43 43 SER H H 1 8.716 0.005 . . . . . . A 141 SER H . 31040 1 360 . 1 . 1 43 43 SER HA H 1 4.213 0.003 . . . . . . A 141 SER HA . 31040 1 361 . 1 . 1 43 43 SER HB2 H 1 3.946 0.009 . . . . . . A 141 SER HB2 . 31040 1 362 . 1 . 1 43 43 SER HB3 H 1 3.885 0.009 . . . . . . A 141 SER HB3 . 31040 1 363 . 1 . 1 43 43 SER CA C 13 61.278 0.042 . . . . . . A 141 SER CA . 31040 1 364 . 1 . 1 43 43 SER CB C 13 62.432 0.054 . . . . . . A 141 SER CB . 31040 1 365 . 1 . 1 43 43 SER N N 15 114.549 0.044 . . . . . . A 141 SER N . 31040 1 366 . 1 . 1 44 44 THR H H 1 7.650 0.003 . . . . . . A 142 THR H . 31040 1 367 . 1 . 1 44 44 THR HA H 1 4.069 0.009 . . . . . . A 142 THR HA . 31040 1 368 . 1 . 1 44 44 THR HB H 1 4.134 0.002 . . . . . . A 142 THR HB . 31040 1 369 . 1 . 1 44 44 THR HG21 H 1 1.123 0.006 . . . . . . A 142 THR HG21 . 31040 1 370 . 1 . 1 44 44 THR HG22 H 1 1.123 0.006 . . . . . . A 142 THR HG22 . 31040 1 371 . 1 . 1 44 44 THR HG23 H 1 1.123 0.006 . . . . . . A 142 THR HG23 . 31040 1 372 . 1 . 1 44 44 THR CA C 13 66.291 0.118 . . . . . . A 142 THR CA . 31040 1 373 . 1 . 1 44 44 THR CB C 13 69.248 0.054 . . . . . . A 142 THR CB . 31040 1 374 . 1 . 1 44 44 THR CG2 C 13 21.663 0.013 . . . . . . A 142 THR CG2 . 31040 1 375 . 1 . 1 44 44 THR N N 15 119.012 0.018 . . . . . . A 142 THR N . 31040 1 376 . 1 . 1 45 45 THR H H 1 8.306 0.006 . . . . . . A 143 THR H . 31040 1 377 . 1 . 1 45 45 THR HA H 1 2.835 0.002 . . . . . . A 143 THR HA . 31040 1 378 . 1 . 1 45 45 THR HB H 1 3.570 0.004 . . . . . . A 143 THR HB . 31040 1 379 . 1 . 1 45 45 THR HG21 H 1 0.403 0.002 . . . . . . A 143 THR HG21 . 31040 1 380 . 1 . 1 45 45 THR HG22 H 1 0.403 0.002 . . . . . . A 143 THR HG22 . 31040 1 381 . 1 . 1 45 45 THR HG23 H 1 0.403 0.002 . . . . . . A 143 THR HG23 . 31040 1 382 . 1 . 1 45 45 THR CA C 13 63.400 0.042 . . . . . . A 143 THR CA . 31040 1 383 . 1 . 1 45 45 THR CB C 13 68.195 0.038 . . . . . . A 143 THR CB . 31040 1 384 . 1 . 1 45 45 THR CG2 C 13 20.888 0.017 . . . . . . A 143 THR CG2 . 31040 1 385 . 1 . 1 45 45 THR N N 15 109.372 0.026 . . . . . . A 143 THR N . 31040 1 386 . 1 . 1 46 46 ASN H H 1 7.800 0.006 . . . . . . A 144 ASN H . 31040 1 387 . 1 . 1 46 46 ASN HA H 1 4.684 0.003 . . . . . . A 144 ASN HA . 31040 1 388 . 1 . 1 46 46 ASN HB2 H 1 2.835 0.005 . . . . . . A 144 ASN HB2 . 31040 1 389 . 1 . 1 46 46 ASN HB3 H 1 2.813 0.003 . . . . . . A 144 ASN HB3 . 31040 1 390 . 1 . 1 46 46 ASN HD21 H 1 6.939 0.002 . . . . . . A 144 ASN HD21 . 31040 1 391 . 1 . 1 46 46 ASN HD22 H 1 7.498 0.003 . . . . . . A 144 ASN HD22 . 31040 1 392 . 1 . 1 46 46 ASN CA C 13 53.025 0.014 . . . . . . A 144 ASN CA . 31040 1 393 . 1 . 1 46 46 ASN CB C 13 38.169 0.033 . . . . . . A 144 ASN CB . 31040 1 394 . 1 . 1 46 46 ASN N N 15 116.936 0.024 . . . . . . A 144 ASN N . 31040 1 395 . 1 . 1 46 46 ASN ND2 N 15 112.131 0.173 . . . . . . A 144 ASN ND2 . 31040 1 396 . 1 . 1 47 47 ASN H H 1 7.352 0.004 . . . . . . A 145 ASN H . 31040 1 397 . 1 . 1 47 47 ASN HA H 1 4.889 0.001 . . . . . . A 145 ASN HA . 31040 1 398 . 1 . 1 47 47 ASN HB3 H 1 2.990 0.004 . . . . . . A 145 ASN HB3 . 31040 1 399 . 1 . 1 47 47 ASN HD21 H 1 8.251 0.002 . . . . . . A 145 ASN HD21 . 31040 1 400 . 1 . 1 47 47 ASN HD22 H 1 7.267 0.002 . . . . . . A 145 ASN HD22 . 31040 1 401 . 1 . 1 47 47 ASN CA C 13 52.333 0.036 . . . . . . A 145 ASN CA . 31040 1 402 . 1 . 1 47 47 ASN CB C 13 40.928 0.015 . . . . . . A 145 ASN CB . 31040 1 403 . 1 . 1 47 47 ASN N N 15 122.091 0.014 . . . . . . A 145 ASN N . 31040 1 404 . 1 . 1 47 47 ASN ND2 N 15 115.965 0.179 . . . . . . A 145 ASN ND2 . 31040 1 405 . 1 . 1 48 48 PRO HA H 1 4.515 0.003 . . . . . . A 146 PRO HA . 31040 1 406 . 1 . 1 48 48 PRO HB2 H 1 2.487 0.003 . . . . . . A 146 PRO HB2 . 31040 1 407 . 1 . 1 48 48 PRO HB3 H 1 2.091 0.006 . . . . . . A 146 PRO HB3 . 31040 1 408 . 1 . 1 48 48 PRO HG3 H 1 2.111 0.001 . . . . . . A 146 PRO HG3 . 31040 1 409 . 1 . 1 48 48 PRO HD2 H 1 4.031 0.004 . . . . . . A 146 PRO HD2 . 31040 1 410 . 1 . 1 48 48 PRO HD3 H 1 3.739 0.004 . . . . . . A 146 PRO HD3 . 31040 1 411 . 1 . 1 48 48 PRO CA C 13 65.071 0.036 . . . . . . A 146 PRO CA . 31040 1 412 . 1 . 1 48 48 PRO CB C 13 32.158 0.017 . . . . . . A 146 PRO CB . 31040 1 413 . 1 . 1 48 48 PRO CG C 13 27.456 0.031 . . . . . . A 146 PRO CG . 31040 1 414 . 1 . 1 48 48 PRO CD C 13 51.394 0.065 . . . . . . A 146 PRO CD . 31040 1 415 . 1 . 1 49 49 ALA H H 1 8.747 0.003 . . . . . . A 147 ALA H . 31040 1 416 . 1 . 1 49 49 ALA HA H 1 4.680 0.002 . . . . . . A 147 ALA HA . 31040 1 417 . 1 . 1 49 49 ALA HB1 H 1 1.445 0.003 . . . . . . A 147 ALA HB1 . 31040 1 418 . 1 . 1 49 49 ALA HB2 H 1 1.445 0.003 . . . . . . A 147 ALA HB2 . 31040 1 419 . 1 . 1 49 49 ALA HB3 H 1 1.445 0.003 . . . . . . A 147 ALA HB3 . 31040 1 420 . 1 . 1 49 49 ALA CA C 13 52.020 0.041 . . . . . . A 147 ALA CA . 31040 1 421 . 1 . 1 49 49 ALA CB C 13 18.843 0.026 . . . . . . A 147 ALA CB . 31040 1 422 . 1 . 1 49 49 ALA N N 15 119.908 0.049 . . . . . . A 147 ALA N . 31040 1 423 . 1 . 1 50 50 PHE H H 1 8.377 0.003 . . . . . . A 148 PHE H . 31040 1 424 . 1 . 1 50 50 PHE HA H 1 4.054 0.004 . . . . . . A 148 PHE HA . 31040 1 425 . 1 . 1 50 50 PHE HB3 H 1 3.102 0.000 . . . . . . A 148 PHE HB3 . 31040 1 426 . 1 . 1 50 50 PHE HD1 H 1 7.341 0.004 . . . . . . A 148 PHE HD1 . 31040 1 427 . 1 . 1 50 50 PHE HD2 H 1 7.341 0.004 . . . . . . A 148 PHE HD2 . 31040 1 428 . 1 . 1 50 50 PHE HZ H 1 7.233 0.004 . . . . . . A 148 PHE HZ . 31040 1 429 . 1 . 1 50 50 PHE N N 15 119.541 0.019 . . . . . . A 148 PHE N . 31040 1 430 . 1 . 1 51 51 GLN H H 1 8.895 0.004 . . . . . . A 149 GLN H . 31040 1 431 . 1 . 1 51 51 GLN HA H 1 3.269 0.001 . . . . . . A 149 GLN HA . 31040 1 432 . 1 . 1 51 51 GLN HB2 H 1 2.100 0.005 . . . . . . A 149 GLN HB2 . 31040 1 433 . 1 . 1 51 51 GLN HB3 H 1 2.030 0.002 . . . . . . A 149 GLN HB3 . 31040 1 434 . 1 . 1 51 51 GLN HG2 H 1 2.433 0.002 . . . . . . A 149 GLN HG2 . 31040 1 435 . 1 . 1 51 51 GLN HG3 H 1 2.028 0.005 . . . . . . A 149 GLN HG3 . 31040 1 436 . 1 . 1 51 51 GLN HE21 H 1 8.666 0.002 . . . . . . A 149 GLN HE21 . 31040 1 437 . 1 . 1 51 51 GLN CA C 13 60.643 0.034 . . . . . . A 149 GLN CA . 31040 1 438 . 1 . 1 51 51 GLN CB C 13 29.263 0.013 . . . . . . A 149 GLN CB . 31040 1 439 . 1 . 1 51 51 GLN CG C 13 34.911 0.030 . . . . . . A 149 GLN CG . 31040 1 440 . 1 . 1 51 51 GLN N N 15 117.309 0.015 . . . . . . A 149 GLN N . 31040 1 441 . 1 . 1 51 51 GLN NE2 N 15 114.352 0.210 . . . . . . A 149 GLN NE2 . 31040 1 442 . 1 . 1 52 52 GLN H H 1 8.219 0.003 . . . . . . A 150 GLN H . 31040 1 443 . 1 . 1 52 52 GLN HA H 1 3.893 0.004 . . . . . . A 150 GLN HA . 31040 1 444 . 1 . 1 52 52 GLN HB2 H 1 2.072 0.001 . . . . . . A 150 GLN HB2 . 31040 1 445 . 1 . 1 52 52 GLN HB3 H 1 2.039 0.004 . . . . . . A 150 GLN HB3 . 31040 1 446 . 1 . 1 52 52 GLN HG2 H 1 2.375 0.002 . . . . . . A 150 GLN HG2 . 31040 1 447 . 1 . 1 52 52 GLN HG3 H 1 2.302 0.001 . . . . . . A 150 GLN HG3 . 31040 1 448 . 1 . 1 52 52 GLN HE21 H 1 6.841 0.002 . . . . . . A 150 GLN HE21 . 31040 1 449 . 1 . 1 52 52 GLN HE22 H 1 7.422 0.003 . . . . . . A 150 GLN HE22 . 31040 1 450 . 1 . 1 52 52 GLN CA C 13 58.897 0.035 . . . . . . A 150 GLN CA . 31040 1 451 . 1 . 1 52 52 GLN CB C 13 28.313 0.016 . . . . . . A 150 GLN CB . 31040 1 452 . 1 . 1 52 52 GLN CG C 13 33.697 0.040 . . . . . . A 150 GLN CG . 31040 1 453 . 1 . 1 52 52 GLN N N 15 118.206 0.087 . . . . . . A 150 GLN N . 31040 1 454 . 1 . 1 52 52 GLN NE2 N 15 111.467 0.186 . . . . . . A 150 GLN NE2 . 31040 1 455 . 1 . 1 53 53 ARG H H 1 8.156 0.003 . . . . . . A 151 ARG H . 31040 1 456 . 1 . 1 53 53 ARG HA H 1 3.637 0.004 . . . . . . A 151 ARG HA . 31040 1 457 . 1 . 1 53 53 ARG HB2 H 1 1.633 0.004 . . . . . . A 151 ARG HB2 . 31040 1 458 . 1 . 1 53 53 ARG HB3 H 1 1.352 0.006 . . . . . . A 151 ARG HB3 . 31040 1 459 . 1 . 1 53 53 ARG HG3 H 1 1.704 0.004 . . . . . . A 151 ARG HG3 . 31040 1 460 . 1 . 1 53 53 ARG HD2 H 1 3.146 0.002 . . . . . . A 151 ARG HD2 . 31040 1 461 . 1 . 1 53 53 ARG HD3 H 1 3.057 0.005 . . . . . . A 151 ARG HD3 . 31040 1 462 . 1 . 1 53 53 ARG CA C 13 57.560 0.026 . . . . . . A 151 ARG CA . 31040 1 463 . 1 . 1 53 53 ARG CB C 13 29.144 0.039 . . . . . . A 151 ARG CB . 31040 1 464 . 1 . 1 53 53 ARG CG C 13 27.222 0.007 . . . . . . A 151 ARG CG . 31040 1 465 . 1 . 1 53 53 ARG CD C 13 42.421 0.017 . . . . . . A 151 ARG CD . 31040 1 466 . 1 . 1 53 53 ARG N N 15 118.646 0.032 . . . . . . A 151 ARG N . 31040 1 467 . 1 . 1 54 54 LEU H H 1 8.267 0.002 . . . . . . A 152 LEU H . 31040 1 468 . 1 . 1 54 54 LEU HA H 1 3.018 0.006 . . . . . . A 152 LEU HA . 31040 1 469 . 1 . 1 54 54 LEU N N 15 123.744 0.033 . . . . . . A 152 LEU N . 31040 1 470 . 1 . 1 55 55 ARG H H 1 7.423 0.002 . . . . . . A 153 ARG H . 31040 1 471 . 1 . 1 55 55 ARG HA H 1 3.639 0.003 . . . . . . A 153 ARG HA . 31040 1 472 . 1 . 1 55 55 ARG HB3 H 1 1.765 0.004 . . . . . . A 153 ARG HB3 . 31040 1 473 . 1 . 1 55 55 ARG HG2 H 1 1.655 0.005 . . . . . . A 153 ARG HG2 . 31040 1 474 . 1 . 1 55 55 ARG HG3 H 1 1.442 0.005 . . . . . . A 153 ARG HG3 . 31040 1 475 . 1 . 1 55 55 ARG HD2 H 1 3.120 0.003 . . . . . . A 153 ARG HD2 . 31040 1 476 . 1 . 1 55 55 ARG HD3 H 1 3.062 0.003 . . . . . . A 153 ARG HD3 . 31040 1 477 . 1 . 1 55 55 ARG CA C 13 59.981 0.028 . . . . . . A 153 ARG CA . 31040 1 478 . 1 . 1 55 55 ARG CB C 13 29.667 0.025 . . . . . . A 153 ARG CB . 31040 1 479 . 1 . 1 55 55 ARG CG C 13 28.041 0.074 . . . . . . A 153 ARG CG . 31040 1 480 . 1 . 1 55 55 ARG CD C 13 43.607 0.012 . . . . . . A 153 ARG CD . 31040 1 481 . 1 . 1 55 55 ARG N N 15 117.863 0.011 . . . . . . A 153 ARG N . 31040 1 482 . 1 . 1 56 56 LEU H H 1 7.554 0.003 . . . . . . A 154 LEU H . 31040 1 483 . 1 . 1 56 56 LEU HA H 1 4.015 0.003 . . . . . . A 154 LEU HA . 31040 1 484 . 1 . 1 56 56 LEU HB3 H 1 1.523 0.007 . . . . . . A 154 LEU HB3 . 31040 1 485 . 1 . 1 56 56 LEU N N 15 120.744 0.036 . . . . . . A 154 LEU N . 31040 1 486 . 1 . 1 57 57 GLY H H 1 8.099 0.003 . . . . . . A 155 GLY H . 31040 1 487 . 1 . 1 57 57 GLY HA2 H 1 3.555 0.003 . . . . . . A 155 GLY HA2 . 31040 1 488 . 1 . 1 57 57 GLY HA3 H 1 3.002 0.006 . . . . . . A 155 GLY HA3 . 31040 1 489 . 1 . 1 57 57 GLY CA C 13 46.569 0.032 . . . . . . A 155 GLY CA . 31040 1 490 . 1 . 1 57 57 GLY N N 15 108.717 0.022 . . . . . . A 155 GLY N . 31040 1 491 . 1 . 1 58 58 ALA H H 1 8.411 0.004 . . . . . . A 156 ALA H . 31040 1 492 . 1 . 1 58 58 ALA HA H 1 3.818 0.003 . . . . . . A 156 ALA HA . 31040 1 493 . 1 . 1 58 58 ALA HB1 H 1 1.052 0.003 . . . . . . A 156 ALA HB1 . 31040 1 494 . 1 . 1 58 58 ALA HB2 H 1 1.052 0.003 . . . . . . A 156 ALA HB2 . 31040 1 495 . 1 . 1 58 58 ALA HB3 H 1 1.052 0.003 . . . . . . A 156 ALA HB3 . 31040 1 496 . 1 . 1 58 58 ALA CA C 13 55.360 0.029 . . . . . . A 156 ALA CA . 31040 1 497 . 1 . 1 58 58 ALA CB C 13 17.098 0.026 . . . . . . A 156 ALA CB . 31040 1 498 . 1 . 1 58 58 ALA N N 15 125.906 0.015 . . . . . . A 156 ALA N . 31040 1 499 . 1 . 1 59 59 LYS H H 1 7.525 0.004 . . . . . . A 157 LYS H . 31040 1 500 . 1 . 1 59 59 LYS HA H 1 4.011 0.006 . . . . . . A 157 LYS HA . 31040 1 501 . 1 . 1 59 59 LYS HB3 H 1 1.950 0.005 . . . . . . A 157 LYS HB3 . 31040 1 502 . 1 . 1 59 59 LYS CA C 13 59.707 0.020 . . . . . . A 157 LYS CA . 31040 1 503 . 1 . 1 59 59 LYS CB C 13 32.368 0.048 . . . . . . A 157 LYS CB . 31040 1 504 . 1 . 1 59 59 LYS N N 15 118.694 0.060 . . . . . . A 157 LYS N . 31040 1 505 . 1 . 1 60 60 ARG H H 1 8.111 0.006 . . . . . . A 158 ARG H . 31040 1 506 . 1 . 1 60 60 ARG HA H 1 4.042 0.003 . . . . . . A 158 ARG HA . 31040 1 507 . 1 . 1 60 60 ARG HB3 H 1 1.901 0.003 . . . . . . A 158 ARG HB3 . 31040 1 508 . 1 . 1 60 60 ARG HG2 H 1 1.821 0.002 . . . . . . A 158 ARG HG2 . 31040 1 509 . 1 . 1 60 60 ARG HG3 H 1 1.684 0.005 . . . . . . A 158 ARG HG3 . 31040 1 510 . 1 . 1 60 60 ARG HD2 H 1 3.243 0.001 . . . . . . A 158 ARG HD2 . 31040 1 511 . 1 . 1 60 60 ARG HD3 H 1 3.201 0.002 . . . . . . A 158 ARG HD3 . 31040 1 512 . 1 . 1 60 60 ARG CA C 13 59.531 0.020 . . . . . . A 158 ARG CA . 31040 1 513 . 1 . 1 60 60 ARG CB C 13 30.123 0.035 . . . . . . A 158 ARG CB . 31040 1 514 . 1 . 1 60 60 ARG CG C 13 27.722 0.043 . . . . . . A 158 ARG CG . 31040 1 515 . 1 . 1 60 60 ARG CD C 13 43.689 0.024 . . . . . . A 158 ARG CD . 31040 1 516 . 1 . 1 60 60 ARG N N 15 118.903 0.047 . . . . . . A 158 ARG N . 31040 1 517 . 1 . 1 61 61 ALA H H 1 8.030 0.005 . . . . . . A 159 ALA H . 31040 1 518 . 1 . 1 61 61 ALA HA H 1 4.397 0.005 . . . . . . A 159 ALA HA . 31040 1 519 . 1 . 1 61 61 ALA HB1 H 1 1.497 0.007 . . . . . . A 159 ALA HB1 . 31040 1 520 . 1 . 1 61 61 ALA HB2 H 1 1.497 0.007 . . . . . . A 159 ALA HB2 . 31040 1 521 . 1 . 1 61 61 ALA HB3 H 1 1.497 0.007 . . . . . . A 159 ALA HB3 . 31040 1 522 . 1 . 1 61 61 ALA CA C 13 54.832 0.066 . . . . . . A 159 ALA CA . 31040 1 523 . 1 . 1 61 61 ALA CB C 13 18.339 0.028 . . . . . . A 159 ALA CB . 31040 1 524 . 1 . 1 61 61 ALA N N 15 121.539 0.038 . . . . . . A 159 ALA N . 31040 1 525 . 1 . 1 62 62 VAL H H 1 8.270 0.003 . . . . . . A 160 VAL H . 31040 1 526 . 1 . 1 62 62 VAL HA H 1 4.215 0.007 . . . . . . A 160 VAL HA . 31040 1 527 . 1 . 1 62 62 VAL HB H 1 2.299 0.008 . . . . . . A 160 VAL HB . 31040 1 528 . 1 . 1 62 62 VAL HG11 H 1 1.186 0.003 . . . . . . A 160 VAL HG11 . 31040 1 529 . 1 . 1 62 62 VAL HG12 H 1 1.186 0.003 . . . . . . A 160 VAL HG12 . 31040 1 530 . 1 . 1 62 62 VAL HG13 H 1 1.186 0.003 . . . . . . A 160 VAL HG13 . 31040 1 531 . 1 . 1 62 62 VAL HG21 H 1 1.023 0.004 . . . . . . A 160 VAL HG21 . 31040 1 532 . 1 . 1 62 62 VAL HG22 H 1 1.023 0.004 . . . . . . A 160 VAL HG22 . 31040 1 533 . 1 . 1 62 62 VAL HG23 H 1 1.023 0.004 . . . . . . A 160 VAL HG23 . 31040 1 534 . 1 . 1 62 62 VAL CA C 13 65.329 0.048 . . . . . . A 160 VAL CA . 31040 1 535 . 1 . 1 62 62 VAL CB C 13 32.013 0.037 . . . . . . A 160 VAL CB . 31040 1 536 . 1 . 1 62 62 VAL CG1 C 13 24.941 0.021 . . . . . . A 160 VAL CG1 . 31040 1 537 . 1 . 1 62 62 VAL CG2 C 13 21.681 0.069 . . . . . . A 160 VAL CG2 . 31040 1 538 . 1 . 1 62 62 VAL N N 15 120.136 0.023 . . . . . . A 160 VAL N . 31040 1 539 . 1 . 1 63 63 ASN H H 1 8.333 0.003 . . . . . . A 161 ASN H . 31040 1 540 . 1 . 1 63 63 ASN HA H 1 4.510 0.004 . . . . . . A 161 ASN HA . 31040 1 541 . 1 . 1 63 63 ASN HB2 H 1 2.963 0.001 . . . . . . A 161 ASN HB2 . 31040 1 542 . 1 . 1 63 63 ASN HB3 H 1 2.905 0.001 . . . . . . A 161 ASN HB3 . 31040 1 543 . 1 . 1 63 63 ASN HD21 H 1 6.890 0.002 . . . . . . A 161 ASN HD21 . 31040 1 544 . 1 . 1 63 63 ASN HD22 H 1 7.647 0.003 . . . . . . A 161 ASN HD22 . 31040 1 545 . 1 . 1 63 63 ASN CA C 13 56.258 0.052 . . . . . . A 161 ASN CA . 31040 1 546 . 1 . 1 63 63 ASN CB C 13 38.187 0.021 . . . . . . A 161 ASN CB . 31040 1 547 . 1 . 1 63 63 ASN N N 15 121.289 0.032 . . . . . . A 161 ASN N . 31040 1 548 . 1 . 1 63 63 ASN ND2 N 15 111.415 0.176 . . . . . . A 161 ASN ND2 . 31040 1 549 . 1 . 1 64 64 ASN H H 1 8.216 0.003 . . . . . . A 162 ASN H . 31040 1 550 . 1 . 1 64 64 ASN HA H 1 4.859 0.004 . . . . . . A 162 ASN HA . 31040 1 551 . 1 . 1 64 64 ASN HB2 H 1 2.981 0.008 . . . . . . A 162 ASN HB2 . 31040 1 552 . 1 . 1 64 64 ASN HB3 H 1 2.956 0.005 . . . . . . A 162 ASN HB3 . 31040 1 553 . 1 . 1 64 64 ASN HD21 H 1 6.890 0.003 . . . . . . A 162 ASN HD21 . 31040 1 554 . 1 . 1 64 64 ASN HD22 H 1 7.522 0.006 . . . . . . A 162 ASN HD22 . 31040 1 555 . 1 . 1 64 64 ASN CA C 13 52.993 0.021 . . . . . . A 162 ASN CA . 31040 1 556 . 1 . 1 64 64 ASN CB C 13 38.962 0.037 . . . . . . A 162 ASN CB . 31040 1 557 . 1 . 1 64 64 ASN N N 15 114.678 0.016 . . . . . . A 162 ASN N . 31040 1 558 . 1 . 1 64 64 ASN ND2 N 15 110.801 0.169 . . . . . . A 162 ASN ND2 . 31040 1 559 . 1 . 1 65 65 GLY H H 1 7.850 0.003 . . . . . . A 163 GLY H . 31040 1 560 . 1 . 1 65 65 GLY HA2 H 1 4.218 0.003 . . . . . . A 163 GLY HA2 . 31040 1 561 . 1 . 1 65 65 GLY HA3 H 1 3.948 0.002 . . . . . . A 163 GLY HA3 . 31040 1 562 . 1 . 1 65 65 GLY CA C 13 46.128 0.044 . . . . . . A 163 GLY CA . 31040 1 563 . 1 . 1 65 65 GLY N N 15 107.993 0.026 . . . . . . A 163 GLY N . 31040 1 564 . 1 . 1 66 66 ARG H H 1 8.459 0.008 . . . . . . A 164 ARG H . 31040 1 565 . 1 . 1 66 66 ARG HA H 1 4.349 0.004 . . . . . . A 164 ARG HA . 31040 1 566 . 1 . 1 66 66 ARG HB2 H 1 1.985 0.003 . . . . . . A 164 ARG HB2 . 31040 1 567 . 1 . 1 66 66 ARG HB3 H 1 1.827 0.004 . . . . . . A 164 ARG HB3 . 31040 1 568 . 1 . 1 66 66 ARG HG2 H 1 1.718 0.001 . . . . . . A 164 ARG HG2 . 31040 1 569 . 1 . 1 66 66 ARG HG3 H 1 1.642 0.004 . . . . . . A 164 ARG HG3 . 31040 1 570 . 1 . 1 66 66 ARG HD2 H 1 3.178 0.002 . . . . . . A 164 ARG HD2 . 31040 1 571 . 1 . 1 66 66 ARG HD3 H 1 3.156 0.008 . . . . . . A 164 ARG HD3 . 31040 1 572 . 1 . 1 66 66 ARG CA C 13 57.454 0.037 . . . . . . A 164 ARG CA . 31040 1 573 . 1 . 1 66 66 ARG CB C 13 30.624 0.027 . . . . . . A 164 ARG CB . 31040 1 574 . 1 . 1 66 66 ARG CG C 13 27.450 0.025 . . . . . . A 164 ARG CG . 31040 1 575 . 1 . 1 66 66 ARG CD C 13 42.735 0.022 . . . . . . A 164 ARG CD . 31040 1 576 . 1 . 1 66 66 ARG N N 15 118.681 0.018 . . . . . . A 164 ARG N . 31040 1 577 . 1 . 1 67 67 LEU H H 1 7.312 0.004 . . . . . . A 165 LEU H . 31040 1 578 . 1 . 1 67 67 LEU HA H 1 5.037 0.005 . . . . . . A 165 LEU HA . 31040 1 579 . 1 . 1 67 67 LEU HB2 H 1 1.546 0.006 . . . . . . A 165 LEU HB2 . 31040 1 580 . 1 . 1 67 67 LEU HB3 H 1 1.429 0.002 . . . . . . A 165 LEU HB3 . 31040 1 581 . 1 . 1 67 67 LEU HD11 H 1 0.809 0.008 . . . . . . A 165 LEU HD11 . 31040 1 582 . 1 . 1 67 67 LEU HD12 H 1 0.809 0.008 . . . . . . A 165 LEU HD12 . 31040 1 583 . 1 . 1 67 67 LEU HD13 H 1 0.809 0.008 . . . . . . A 165 LEU HD13 . 31040 1 584 . 1 . 1 67 67 LEU HD21 H 1 0.825 0.005 . . . . . . A 165 LEU HD21 . 31040 1 585 . 1 . 1 67 67 LEU HD22 H 1 0.825 0.005 . . . . . . A 165 LEU HD22 . 31040 1 586 . 1 . 1 67 67 LEU HD23 H 1 0.825 0.005 . . . . . . A 165 LEU HD23 . 31040 1 587 . 1 . 1 67 67 LEU N N 15 115.949 0.049 . . . . . . A 165 LEU N . 31040 1 588 . 1 . 1 68 68 LEU H H 1 9.108 0.004 . . . . . . A 166 LEU H . 31040 1 589 . 1 . 1 68 68 LEU HA H 1 4.561 0.004 . . . . . . A 166 LEU HA . 31040 1 590 . 1 . 1 68 68 LEU HB3 H 1 1.415 0.008 . . . . . . A 166 LEU HB3 . 31040 1 591 . 1 . 1 68 68 LEU HG H 1 1.251 0.005 . . . . . . A 166 LEU HG . 31040 1 592 . 1 . 1 68 68 LEU HD11 H 1 0.802 0.005 . . . . . . A 166 LEU HD11 . 31040 1 593 . 1 . 1 68 68 LEU HD12 H 1 0.802 0.005 . . . . . . A 166 LEU HD12 . 31040 1 594 . 1 . 1 68 68 LEU HD13 H 1 0.802 0.005 . . . . . . A 166 LEU HD13 . 31040 1 595 . 1 . 1 68 68 LEU N N 15 120.695 0.033 . . . . . . A 166 LEU N . 31040 1 596 . 1 . 1 69 69 LYS H H 1 8.677 0.003 . . . . . . A 167 LYS H . 31040 1 597 . 1 . 1 69 69 LYS HA H 1 4.739 0.011 . . . . . . A 167 LYS HA . 31040 1 598 . 1 . 1 69 69 LYS HB2 H 1 1.531 0.008 . . . . . . A 167 LYS HB2 . 31040 1 599 . 1 . 1 69 69 LYS HB3 H 1 1.177 0.006 . . . . . . A 167 LYS HB3 . 31040 1 600 . 1 . 1 69 69 LYS HD2 H 1 1.031 0.009 . . . . . . A 167 LYS HD2 . 31040 1 601 . 1 . 1 69 69 LYS HD3 H 1 0.280 0.006 . . . . . . A 167 LYS HD3 . 31040 1 602 . 1 . 1 69 69 LYS CA C 13 54.722 0.043 . . . . . . A 167 LYS CA . 31040 1 603 . 1 . 1 69 69 LYS CB C 13 36.824 0.035 . . . . . . A 167 LYS CB . 31040 1 604 . 1 . 1 69 69 LYS CG C 13 29.642 0.000 . . . . . . A 167 LYS CG . 31040 1 605 . 1 . 1 69 69 LYS CD C 13 24.730 0.090 . . . . . . A 167 LYS CD . 31040 1 606 . 1 . 1 69 69 LYS CE C 13 42.232 0.000 . . . . . . A 167 LYS CE . 31040 1 607 . 1 . 1 69 69 LYS N N 15 124.286 0.033 . . . . . . A 167 LYS N . 31040 1 608 . 1 . 1 70 70 ASP H H 1 8.536 0.004 . . . . . . A 168 ASP H . 31040 1 609 . 1 . 1 70 70 ASP HA H 1 4.720 0.005 . . . . . . A 168 ASP HA . 31040 1 610 . 1 . 1 70 70 ASP HB2 H 1 2.653 0.005 . . . . . . A 168 ASP HB2 . 31040 1 611 . 1 . 1 70 70 ASP HB3 H 1 2.350 0.003 . . . . . . A 168 ASP HB3 . 31040 1 612 . 1 . 1 70 70 ASP CA C 13 52.732 0.048 . . . . . . A 168 ASP CA . 31040 1 613 . 1 . 1 70 70 ASP CB C 13 41.976 0.012 . . . . . . A 168 ASP CB . 31040 1 614 . 1 . 1 70 70 ASP N N 15 128.150 0.036 . . . . . . A 168 ASP N . 31040 1 615 . 1 . 1 71 71 GLY H H 1 8.903 0.007 . . . . . . A 169 GLY H . 31040 1 616 . 1 . 1 71 71 GLY HA2 H 1 3.526 0.005 . . . . . . A 169 GLY HA2 . 31040 1 617 . 1 . 1 71 71 GLY HA3 H 1 4.176 0.002 . . . . . . A 169 GLY HA3 . 31040 1 618 . 1 . 1 71 71 GLY CA C 13 44.996 0.058 . . . . . . A 169 GLY CA . 31040 1 619 . 1 . 1 71 71 GLY N N 15 117.970 0.039 . . . . . . A 169 GLY N . 31040 1 620 . 1 . 1 72 72 PRO HA H 1 4.532 0.002 . . . . . . A 170 PRO HA . 31040 1 621 . 1 . 1 72 72 PRO HB2 H 1 2.083 0.004 . . . . . . A 170 PRO HB2 . 31040 1 622 . 1 . 1 72 72 PRO HB3 H 1 2.304 0.004 . . . . . . A 170 PRO HB3 . 31040 1 623 . 1 . 1 72 72 PRO HG3 H 1 2.031 0.003 . . . . . . A 170 PRO HG3 . 31040 1 624 . 1 . 1 72 72 PRO HD2 H 1 3.692 0.002 . . . . . . A 170 PRO HD2 . 31040 1 625 . 1 . 1 72 72 PRO HD3 H 1 3.878 0.003 . . . . . . A 170 PRO HD3 . 31040 1 626 . 1 . 1 72 72 PRO CA C 13 63.074 0.052 . . . . . . A 170 PRO CA . 31040 1 627 . 1 . 1 72 72 PRO CB C 13 32.634 0.093 . . . . . . A 170 PRO CB . 31040 1 628 . 1 . 1 72 72 PRO CG C 13 26.362 0.029 . . . . . . A 170 PRO CG . 31040 1 629 . 1 . 1 72 72 PRO CD C 13 49.964 0.033 . . . . . . A 170 PRO CD . 31040 1 630 . 1 . 1 73 73 GLN H H 1 7.297 0.005 . . . . . . A 171 GLN H . 31040 1 631 . 1 . 1 73 73 GLN HA H 1 4.046 0.003 . . . . . . A 171 GLN HA . 31040 1 632 . 1 . 1 73 73 GLN HB2 H 1 2.163 0.005 . . . . . . A 171 GLN HB2 . 31040 1 633 . 1 . 1 73 73 GLN HB3 H 1 1.835 0.008 . . . . . . A 171 GLN HB3 . 31040 1 634 . 1 . 1 73 73 GLN HG2 H 1 2.175 0.003 . . . . . . A 171 GLN HG2 . 31040 1 635 . 1 . 1 73 73 GLN HG3 H 1 2.095 0.006 . . . . . . A 171 GLN HG3 . 31040 1 636 . 1 . 1 73 73 GLN HE21 H 1 6.710 0.003 . . . . . . A 171 GLN HE21 . 31040 1 637 . 1 . 1 73 73 GLN HE22 H 1 6.877 0.003 . . . . . . A 171 GLN HE22 . 31040 1 638 . 1 . 1 73 73 GLN CA C 13 55.700 0.050 . . . . . . A 171 GLN CA . 31040 1 639 . 1 . 1 73 73 GLN CB C 13 31.875 0.034 . . . . . . A 171 GLN CB . 31040 1 640 . 1 . 1 73 73 GLN CG C 13 35.776 0.070 . . . . . . A 171 GLN CG . 31040 1 641 . 1 . 1 73 73 GLN N N 15 116.012 0.033 . . . . . . A 171 GLN N . 31040 1 642 . 1 . 1 73 73 GLN NE2 N 15 109.954 0.155 . . . . . . A 171 GLN NE2 . 31040 1 643 . 1 . 1 74 74 TYR H H 1 8.865 0.006 . . . . . . A 172 TYR H . 31040 1 644 . 1 . 1 74 74 TYR HA H 1 5.174 0.005 . . . . . . A 172 TYR HA . 31040 1 645 . 1 . 1 74 74 TYR HB2 H 1 2.961 0.009 . . . . . . A 172 TYR HB2 . 31040 1 646 . 1 . 1 74 74 TYR HB3 H 1 2.528 0.002 . . . . . . A 172 TYR HB3 . 31040 1 647 . 1 . 1 74 74 TYR HD1 H 1 7.088 0.004 . . . . . . A 172 TYR HD1 . 31040 1 648 . 1 . 1 74 74 TYR HD2 H 1 7.088 0.004 . . . . . . A 172 TYR HD2 . 31040 1 649 . 1 . 1 74 74 TYR HE1 H 1 6.686 0.003 . . . . . . A 172 TYR HE1 . 31040 1 650 . 1 . 1 74 74 TYR HE2 H 1 6.686 0.003 . . . . . . A 172 TYR HE2 . 31040 1 651 . 1 . 1 74 74 TYR CA C 13 57.405 0.046 . . . . . . A 172 TYR CA . 31040 1 652 . 1 . 1 74 74 TYR CB C 13 40.967 0.051 . . . . . . A 172 TYR CB . 31040 1 653 . 1 . 1 74 74 TYR N N 15 121.196 0.020 . . . . . . A 172 TYR N . 31040 1 654 . 1 . 1 75 75 ARG H H 1 8.912 0.002 . . . . . . A 173 ARG H . 31040 1 655 . 1 . 1 75 75 ARG HA H 1 4.900 0.003 . . . . . . A 173 ARG HA . 31040 1 656 . 1 . 1 75 75 ARG HB2 H 1 1.756 0.005 . . . . . . A 173 ARG HB2 . 31040 1 657 . 1 . 1 75 75 ARG HB3 H 1 1.601 0.002 . . . . . . A 173 ARG HB3 . 31040 1 658 . 1 . 1 75 75 ARG HG2 H 1 1.602 0.003 . . . . . . A 173 ARG HG2 . 31040 1 659 . 1 . 1 75 75 ARG HG3 H 1 1.401 0.004 . . . . . . A 173 ARG HG3 . 31040 1 660 . 1 . 1 75 75 ARG HD2 H 1 3.088 0.003 . . . . . . A 173 ARG HD2 . 31040 1 661 . 1 . 1 75 75 ARG HD3 H 1 3.010 0.002 . . . . . . A 173 ARG HD3 . 31040 1 662 . 1 . 1 75 75 ARG CA C 13 53.855 0.031 . . . . . . A 173 ARG CA . 31040 1 663 . 1 . 1 75 75 ARG CB C 13 34.660 0.063 . . . . . . A 173 ARG CB . 31040 1 664 . 1 . 1 75 75 ARG CG C 13 27.872 0.054 . . . . . . A 173 ARG CG . 31040 1 665 . 1 . 1 75 75 ARG CD C 13 43.835 0.038 . . . . . . A 173 ARG CD . 31040 1 666 . 1 . 1 75 75 ARG N N 15 117.619 0.015 . . . . . . A 173 ARG N . 31040 1 667 . 1 . 1 76 76 VAL H H 1 8.884 0.003 . . . . . . A 174 VAL H . 31040 1 668 . 1 . 1 76 76 VAL HA H 1 3.638 0.004 . . . . . . A 174 VAL HA . 31040 1 669 . 1 . 1 76 76 VAL HB H 1 1.592 0.012 . . . . . . A 174 VAL HB . 31040 1 670 . 1 . 1 76 76 VAL HG11 H 1 0.889 0.004 . . . . . . A 174 VAL HG11 . 31040 1 671 . 1 . 1 76 76 VAL HG12 H 1 0.889 0.004 . . . . . . A 174 VAL HG12 . 31040 1 672 . 1 . 1 76 76 VAL HG13 H 1 0.889 0.004 . . . . . . A 174 VAL HG13 . 31040 1 673 . 1 . 1 76 76 VAL HG21 H 1 0.088 0.003 . . . . . . A 174 VAL HG21 . 31040 1 674 . 1 . 1 76 76 VAL HG22 H 1 0.088 0.003 . . . . . . A 174 VAL HG22 . 31040 1 675 . 1 . 1 76 76 VAL HG23 H 1 0.088 0.003 . . . . . . A 174 VAL HG23 . 31040 1 676 . 1 . 1 76 76 VAL CA C 13 63.828 0.041 . . . . . . A 174 VAL CA . 31040 1 677 . 1 . 1 76 76 VAL CB C 13 32.633 0.076 . . . . . . A 174 VAL CB . 31040 1 678 . 1 . 1 76 76 VAL CG1 C 13 23.267 0.034 . . . . . . A 174 VAL CG1 . 31040 1 679 . 1 . 1 76 76 VAL CG2 C 13 21.154 0.064 . . . . . . A 174 VAL CG2 . 31040 1 680 . 1 . 1 76 76 VAL N N 15 122.150 0.043 . . . . . . A 174 VAL N . 31040 1 681 . 1 . 1 77 77 ASN H H 1 7.480 0.007 . . . . . . A 175 ASN H . 31040 1 682 . 1 . 1 77 77 ASN HA H 1 4.770 0.004 . . . . . . A 175 ASN HA . 31040 1 683 . 1 . 1 77 77 ASN HB2 H 1 3.161 0.002 . . . . . . A 175 ASN HB2 . 31040 1 684 . 1 . 1 77 77 ASN HB3 H 1 2.012 0.003 . . . . . . A 175 ASN HB3 . 31040 1 685 . 1 . 1 77 77 ASN HD21 H 1 6.935 0.002 . . . . . . A 175 ASN HD21 . 31040 1 686 . 1 . 1 77 77 ASN HD22 H 1 7.925 0.006 . . . . . . A 175 ASN HD22 . 31040 1 687 . 1 . 1 77 77 ASN CA C 13 51.123 0.038 . . . . . . A 175 ASN CA . 31040 1 688 . 1 . 1 77 77 ASN CB C 13 37.543 0.035 . . . . . . A 175 ASN CB . 31040 1 689 . 1 . 1 77 77 ASN N N 15 121.890 0.037 . . . . . . A 175 ASN N . 31040 1 690 . 1 . 1 77 77 ASN ND2 N 15 111.195 0.169 . . . . . . A 175 ASN ND2 . 31040 1 691 . 1 . 1 78 78 TYR H H 1 8.472 0.003 . . . . . . A 176 TYR H . 31040 1 692 . 1 . 1 78 78 TYR HA H 1 4.325 0.003 . . . . . . A 176 TYR HA . 31040 1 693 . 1 . 1 78 78 TYR HB2 H 1 3.261 0.002 . . . . . . A 176 TYR HB2 . 31040 1 694 . 1 . 1 78 78 TYR HB3 H 1 2.733 0.002 . . . . . . A 176 TYR HB3 . 31040 1 695 . 1 . 1 78 78 TYR HD1 H 1 7.158 0.002 . . . . . . A 176 TYR HD1 . 31040 1 696 . 1 . 1 78 78 TYR HD2 H 1 7.158 0.002 . . . . . . A 176 TYR HD2 . 31040 1 697 . 1 . 1 78 78 TYR HE1 H 1 6.814 0.003 . . . . . . A 176 TYR HE1 . 31040 1 698 . 1 . 1 78 78 TYR HE2 H 1 6.814 0.003 . . . . . . A 176 TYR HE2 . 31040 1 699 . 1 . 1 78 78 TYR CA C 13 60.545 0.053 . . . . . . A 176 TYR CA . 31040 1 700 . 1 . 1 78 78 TYR CB C 13 37.964 0.036 . . . . . . A 176 TYR CB . 31040 1 701 . 1 . 1 78 78 TYR N N 15 125.730 0.030 . . . . . . A 176 TYR N . 31040 1 702 . 1 . 1 79 79 GLY H H 1 8.259 0.005 . . . . . . A 177 GLY H . 31040 1 703 . 1 . 1 79 79 GLY HA2 H 1 4.105 0.007 . . . . . . A 177 GLY HA2 . 31040 1 704 . 1 . 1 79 79 GLY HA3 H 1 3.892 0.004 . . . . . . A 177 GLY HA3 . 31040 1 705 . 1 . 1 79 79 GLY CA C 13 45.452 0.015 . . . . . . A 177 GLY CA . 31040 1 706 . 1 . 1 79 79 GLY N N 15 108.224 0.036 . . . . . . A 177 GLY N . 31040 1 707 . 1 . 1 80 80 SER H H 1 7.886 0.003 . . . . . . A 178 SER H . 31040 1 708 . 1 . 1 80 80 SER HA H 1 4.454 0.004 . . . . . . A 178 SER HA . 31040 1 709 . 1 . 1 80 80 SER HB3 H 1 3.889 0.004 . . . . . . A 178 SER HB3 . 31040 1 710 . 1 . 1 80 80 SER CA C 13 58.197 0.038 . . . . . . A 178 SER CA . 31040 1 711 . 1 . 1 80 80 SER CB C 13 63.883 0.047 . . . . . . A 178 SER CB . 31040 1 712 . 1 . 1 80 80 SER N N 15 115.127 0.012 . . . . . . A 178 SER N . 31040 1 713 . 1 . 1 81 81 LEU H H 1 8.360 0.002 . . . . . . A 179 LEU H . 31040 1 714 . 1 . 1 81 81 LEU HA H 1 4.357 0.002 . . . . . . A 179 LEU HA . 31040 1 715 . 1 . 1 81 81 LEU HB3 H 1 1.673 0.009 . . . . . . A 179 LEU HB3 . 31040 1 716 . 1 . 1 81 81 LEU N N 15 124.232 0.014 . . . . . . A 179 LEU N . 31040 1 717 . 1 . 1 82 82 ASP H H 1 8.210 0.003 . . . . . . A 180 ASP H . 31040 1 718 . 1 . 1 82 82 ASP HA H 1 4.576 0.001 . . . . . . A 180 ASP HA . 31040 1 719 . 1 . 1 82 82 ASP HB3 H 1 2.676 0.000 . . . . . . A 180 ASP HB3 . 31040 1 720 . 1 . 1 82 82 ASP CA C 13 54.436 0.009 . . . . . . A 180 ASP CA . 31040 1 721 . 1 . 1 82 82 ASP CB C 13 41.232 0.005 . . . . . . A 180 ASP CB . 31040 1 722 . 1 . 1 82 82 ASP N N 15 119.636 0.029 . . . . . . A 180 ASP N . 31040 1 723 . 1 . 1 83 83 GLY H H 1 8.215 0.003 . . . . . . A 181 GLY H . 31040 1 724 . 1 . 1 83 83 GLY HA2 H 1 3.936 0.001 . . . . . . A 181 GLY HA2 . 31040 1 725 . 1 . 1 83 83 GLY HA3 H 1 3.892 0.004 . . . . . . A 181 GLY HA3 . 31040 1 726 . 1 . 1 83 83 GLY CA C 13 45.659 0.014 . . . . . . A 181 GLY CA . 31040 1 727 . 1 . 1 83 83 GLY N N 15 109.240 0.020 . . . . . . A 181 GLY N . 31040 1 728 . 1 . 1 84 84 LYS H H 1 7.752 0.004 . . . . . . A 182 LYS H . 31040 1 729 . 1 . 1 84 84 LYS HA H 1 4.160 0.005 . . . . . . A 182 LYS HA . 31040 1 730 . 1 . 1 84 84 LYS HB2 H 1 1.708 0.005 . . . . . . A 182 LYS HB2 . 31040 1 731 . 1 . 1 84 84 LYS HB3 H 1 1.830 0.002 . . . . . . A 182 LYS HB3 . 31040 1 732 . 1 . 1 84 84 LYS HG3 H 1 1.339 0.002 . . . . . . A 182 LYS HG3 . 31040 1 733 . 1 . 1 84 84 LYS HE3 H 1 2.959 0.000 . . . . . . A 182 LYS HE3 . 31040 1 734 . 1 . 1 84 84 LYS CA C 13 57.446 0.038 . . . . . . A 182 LYS CA . 31040 1 735 . 1 . 1 84 84 LYS CB C 13 33.482 0.199 . . . . . . A 182 LYS CB . 31040 1 736 . 1 . 1 84 84 LYS CG C 13 24.951 0.059 . . . . . . A 182 LYS CG . 31040 1 737 . 1 . 1 84 84 LYS CE C 13 41.998 0.000 . . . . . . A 182 LYS CE . 31040 1 738 . 1 . 1 84 84 LYS N N 15 125.896 0.037 . . . . . . A 182 LYS N . 31040 1 stop_ save_