data_50638 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50638 _Entry.Title ; 13C, 15N and 1H assignment of the homeodomain of human SIX1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-13 _Entry.Accession_date 2020-12-13 _Entry.Last_release_date 2020-12-14 _Entry.Original_release_date 2020-12-14 _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 _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 '13C, 15N and 1H assignment of the homeodomain of human SIX1' _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 Yan Li . . . . 50638 2 Elizabeth Ng . . . . 50638 3 'Ying Ru' Loh . . . . 50638 4 'Chong Yu' Gea . . . . 50638 5 Qiwei Huang . . . . 50638 6 Qingxin Li . . . . 50638 7 congbao Kang . . . . 50638 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50638 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 261 50638 '15N chemical shifts' 62 50638 '1H chemical shifts' 414 50638 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-03-14 2020-12-13 update BMRB 'update entry citation' 50638 1 . . 2021-12-14 2020-12-13 original author 'original release' 50638 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50638 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34713534 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Secondary structures, dynamics, and DNA binding of the homeodomain of human SIX1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Pept. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 4 _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 e3376 _Citation.Page_last e3376 _Citation.Year 2022 _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 Yan Li . . . . 50638 1 2 Elizabeth Ng . . . . 50638 1 3 'Ying Ru' Loh . . . . 50638 1 4 'Chong Yu' Gea . . . . 50638 1 5 Qiwei Huang . . . . 50638 1 6 Qingxin Li . . . . 50638 1 7 congbao Kang . . . . 50638 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR, SIX1, homeodomain, DNA binding' 50638 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50638 _Assembly.ID 1 _Assembly.Name 'SIX1 HD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'SIX1 HD' 1 $entity_1 . . yes native no no . . . 50638 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50638 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MGEETSYCFKEKSRGVLREW YAHNPYPSPREKRELAEATG LTTTQVSNWFKNRRQRDRAA EAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '103-185 and G124-185 belong to SIX1 protein.' _Entity.Polymer_author_seq_details 'MGSSHHHHHHSSGLVPRGSHM is the fusion tag for aiding protein purification' _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 103 MET . 50638 1 2 104 GLY . 50638 1 3 105 SER . 50638 1 4 106 SER . 50638 1 5 107 HIS . 50638 1 6 108 HIS . 50638 1 7 109 HIS . 50638 1 8 110 HIS . 50638 1 9 111 HIS . 50638 1 10 112 HIS . 50638 1 11 113 SER . 50638 1 12 114 SER . 50638 1 13 115 GLY . 50638 1 14 116 LEU . 50638 1 15 117 VAL . 50638 1 16 118 PRO . 50638 1 17 119 ARG . 50638 1 18 120 GLY . 50638 1 19 121 SER . 50638 1 20 122 HIS . 50638 1 21 123 MET . 50638 1 22 124 GLY . 50638 1 23 125 GLU . 50638 1 24 126 GLU . 50638 1 25 127 THR . 50638 1 26 128 SER . 50638 1 27 129 TYR . 50638 1 28 130 CYS . 50638 1 29 131 PHE . 50638 1 30 132 LYS . 50638 1 31 133 GLU . 50638 1 32 134 LYS . 50638 1 33 135 SER . 50638 1 34 136 ARG . 50638 1 35 137 GLY . 50638 1 36 138 VAL . 50638 1 37 139 LEU . 50638 1 38 140 ARG . 50638 1 39 141 GLU . 50638 1 40 142 TRP . 50638 1 41 143 TYR . 50638 1 42 144 ALA . 50638 1 43 145 HIS . 50638 1 44 146 ASN . 50638 1 45 147 PRO . 50638 1 46 148 TYR . 50638 1 47 149 PRO . 50638 1 48 150 SER . 50638 1 49 151 PRO . 50638 1 50 152 ARG . 50638 1 51 153 GLU . 50638 1 52 154 LYS . 50638 1 53 155 ARG . 50638 1 54 156 GLU . 50638 1 55 157 LEU . 50638 1 56 158 ALA . 50638 1 57 159 GLU . 50638 1 58 160 ALA . 50638 1 59 161 THR . 50638 1 60 162 GLY . 50638 1 61 163 LEU . 50638 1 62 164 THR . 50638 1 63 165 THR . 50638 1 64 166 THR . 50638 1 65 167 GLN . 50638 1 66 168 VAL . 50638 1 67 169 SER . 50638 1 68 170 ASN . 50638 1 69 171 TRP . 50638 1 70 172 PHE . 50638 1 71 173 LYS . 50638 1 72 174 ASN . 50638 1 73 175 ARG . 50638 1 74 176 ARG . 50638 1 75 177 GLN . 50638 1 76 178 ARG . 50638 1 77 179 ASP . 50638 1 78 180 ARG . 50638 1 79 181 ALA . 50638 1 80 182 ALA . 50638 1 81 183 GLU . 50638 1 82 184 ALA . 50638 1 83 185 LYS . 50638 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 . MET 1 1 50638 1 . GLY 2 2 50638 1 . SER 3 3 50638 1 . SER 4 4 50638 1 . HIS 5 5 50638 1 . HIS 6 6 50638 1 . HIS 7 7 50638 1 . HIS 8 8 50638 1 . HIS 9 9 50638 1 . HIS 10 10 50638 1 . SER 11 11 50638 1 . SER 12 12 50638 1 . GLY 13 13 50638 1 . LEU 14 14 50638 1 . VAL 15 15 50638 1 . PRO 16 16 50638 1 . ARG 17 17 50638 1 . GLY 18 18 50638 1 . SER 19 19 50638 1 . HIS 20 20 50638 1 . MET 21 21 50638 1 . GLY 22 22 50638 1 . GLU 23 23 50638 1 . GLU 24 24 50638 1 . THR 25 25 50638 1 . SER 26 26 50638 1 . TYR 27 27 50638 1 . CYS 28 28 50638 1 . PHE 29 29 50638 1 . LYS 30 30 50638 1 . GLU 31 31 50638 1 . LYS 32 32 50638 1 . SER 33 33 50638 1 . ARG 34 34 50638 1 . GLY 35 35 50638 1 . VAL 36 36 50638 1 . LEU 37 37 50638 1 . ARG 38 38 50638 1 . GLU 39 39 50638 1 . TRP 40 40 50638 1 . TYR 41 41 50638 1 . ALA 42 42 50638 1 . HIS 43 43 50638 1 . ASN 44 44 50638 1 . PRO 45 45 50638 1 . TYR 46 46 50638 1 . PRO 47 47 50638 1 . SER 48 48 50638 1 . PRO 49 49 50638 1 . ARG 50 50 50638 1 . GLU 51 51 50638 1 . LYS 52 52 50638 1 . ARG 53 53 50638 1 . GLU 54 54 50638 1 . LEU 55 55 50638 1 . ALA 56 56 50638 1 . GLU 57 57 50638 1 . ALA 58 58 50638 1 . THR 59 59 50638 1 . GLY 60 60 50638 1 . LEU 61 61 50638 1 . THR 62 62 50638 1 . THR 63 63 50638 1 . THR 64 64 50638 1 . GLN 65 65 50638 1 . VAL 66 66 50638 1 . SER 67 67 50638 1 . ASN 68 68 50638 1 . TRP 69 69 50638 1 . PHE 70 70 50638 1 . LYS 71 71 50638 1 . ASN 72 72 50638 1 . ARG 73 73 50638 1 . ARG 74 74 50638 1 . GLN 75 75 50638 1 . ARG 76 76 50638 1 . ASP 77 77 50638 1 . ARG 78 78 50638 1 . ALA 79 79 50638 1 . ALA 80 80 50638 1 . GLU 81 81 50638 1 . ALA 82 82 50638 1 . LYS 83 83 50638 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50638 _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 . . . . . . . . . . . . . 50638 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50638 _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' . . . Escherichia coli BL21De3 . . plasmid . . pET15b . . 'the cDNA was cloned into pET15b using NdeI and XhoI sites.' 50638 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50638 _Sample.ID 1 _Sample.Name '13C/15N SIX1 HD' _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N labelled HD was prepared in approximately 1 mM.' _Sample.Aggregate_sample_number 1 _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 'SIX1 HD' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM 0.1 . . . 50638 1 2 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 50638 1 3 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 50638 1 4 HEPES 'natural abundance' . . . . . . 20 . . mM 1 . . . 50638 1 5 NaCl 'natural abundance' . . . . . . 150 . . mM 1 . . . 50638 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 50638 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR condition' _Sample_condition_list.Details 'the experiments were carried out at 298K.' 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' 0.17 . M 50638 1 pH 7.3 . pH 50638 1 pressure 1 . atm 50638 1 temperature 298 . K 50638 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50638 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50638 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50638 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50638 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50638 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50638 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50638 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50638 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 50638 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50638 5 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 50638 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details 'Bruker 700MHz, with a cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50638 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details 'Bruker 600MHz, with a cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50638 _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 . . . . . . . . . . . . . . . . . 50638 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50638 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50638 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50638 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 50638 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 na indirect 0.25144953 . . . . . 50638 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50638 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.10132912 . . . . . 50638 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 50638 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SIX1 HD' _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 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 50638 1 2 '3D HNCACB' . . . 50638 1 3 '3D HNCA' . . . 50638 1 4 '3D HNCO' . . . 50638 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50638 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 13 13 GLY HA2 H 1 3.960 0.020 . 2 . . . . . 115 GLY HA2 . 50638 1 2 . 1 . 1 13 13 GLY HA3 H 1 3.960 0.020 . 2 . . . . . 115 GLY HA3 . 50638 1 3 . 1 . 1 13 13 GLY C C 13 173.851 0.400 . 1 . . . . . 115 GLY C . 50638 1 4 . 1 . 1 13 13 GLY CA C 13 45.276 0.400 . 1 . . . . . 115 GLY CA . 50638 1 5 . 1 . 1 14 14 LEU H H 1 8.017 0.020 . 1 . . . . . 116 LEU H . 50638 1 6 . 1 . 1 14 14 LEU HA H 1 4.348 0.020 . 1 . . . . . 116 LEU HA . 50638 1 7 . 1 . 1 14 14 LEU HB2 H 1 1.532 0.020 . 2 . . . . . 116 LEU HB2 . 50638 1 8 . 1 . 1 14 14 LEU HB3 H 1 1.584 0.020 . 2 . . . . . 116 LEU HB3 . 50638 1 9 . 1 . 1 14 14 LEU HG H 1 1.537 0.020 . 1 . . . . . 116 LEU HG . 50638 1 10 . 1 . 1 14 14 LEU HD11 H 1 0.819 0.020 . 2 . . . . . 116 LEU HD11 . 50638 1 11 . 1 . 1 14 14 LEU HD12 H 1 0.819 0.020 . 2 . . . . . 116 LEU HD12 . 50638 1 12 . 1 . 1 14 14 LEU HD13 H 1 0.819 0.020 . 2 . . . . . 116 LEU HD13 . 50638 1 13 . 1 . 1 14 14 LEU HD21 H 1 0.871 0.020 . 2 . . . . . 116 LEU HD21 . 50638 1 14 . 1 . 1 14 14 LEU HD22 H 1 0.871 0.020 . 2 . . . . . 116 LEU HD22 . 50638 1 15 . 1 . 1 14 14 LEU HD23 H 1 0.871 0.020 . 2 . . . . . 116 LEU HD23 . 50638 1 16 . 1 . 1 14 14 LEU C C 13 177.108 0.400 . 1 . . . . . 116 LEU C . 50638 1 17 . 1 . 1 14 14 LEU CA C 13 55.057 0.400 . 1 . . . . . 116 LEU CA . 50638 1 18 . 1 . 1 14 14 LEU CB C 13 42.363 0.400 . 1 . . . . . 116 LEU CB . 50638 1 19 . 1 . 1 14 14 LEU CG C 13 26.876 0.400 . 1 . . . . . 116 LEU CG . 50638 1 20 . 1 . 1 14 14 LEU CD1 C 13 23.422 0.400 . 2 . . . . . 116 LEU CD1 . 50638 1 21 . 1 . 1 14 14 LEU CD2 C 13 24.907 0.400 . 2 . . . . . 116 LEU CD2 . 50638 1 22 . 1 . 1 14 14 LEU N N 15 121.506 0.400 . 1 . . . . . 116 LEU N . 50638 1 23 . 1 . 1 15 15 VAL H H 1 8.064 0.020 . 1 . . . . . 117 VAL H . 50638 1 24 . 1 . 1 15 15 VAL HA H 1 4.372 0.020 . 1 . . . . . 117 VAL HA . 50638 1 25 . 1 . 1 15 15 VAL HB H 1 2.032 0.020 . 1 . . . . . 117 VAL HB . 50638 1 26 . 1 . 1 15 15 VAL HG11 H 1 0.895 0.020 . 2 . . . . . 117 VAL HG11 . 50638 1 27 . 1 . 1 15 15 VAL HG12 H 1 0.895 0.020 . 2 . . . . . 117 VAL HG12 . 50638 1 28 . 1 . 1 15 15 VAL HG13 H 1 0.895 0.020 . 2 . . . . . 117 VAL HG13 . 50638 1 29 . 1 . 1 15 15 VAL HG21 H 1 0.919 0.020 . 2 . . . . . 117 VAL HG21 . 50638 1 30 . 1 . 1 15 15 VAL HG22 H 1 0.919 0.020 . 2 . . . . . 117 VAL HG22 . 50638 1 31 . 1 . 1 15 15 VAL HG23 H 1 0.919 0.020 . 2 . . . . . 117 VAL HG23 . 50638 1 32 . 1 . 1 15 15 VAL CA C 13 59.768 0.400 . 1 . . . . . 117 VAL CA . 50638 1 33 . 1 . 1 15 15 VAL CB C 13 32.629 0.400 . 1 . . . . . 117 VAL CB . 50638 1 34 . 1 . 1 15 15 VAL CG1 C 13 20.376 0.400 . 2 . . . . . 117 VAL CG1 . 50638 1 35 . 1 . 1 15 15 VAL CG2 C 13 20.971 0.400 . 2 . . . . . 117 VAL CG2 . 50638 1 36 . 1 . 1 15 15 VAL N N 15 122.489 0.400 . 1 . . . . . 117 VAL N . 50638 1 37 . 1 . 1 20 20 HIS HA H 1 4.609 0.020 . 1 . . . . . 122 HIS HA . 50638 1 38 . 1 . 1 20 20 HIS HB2 H 1 3.072 0.020 . 2 . . . . . 122 HIS HB2 . 50638 1 39 . 1 . 1 20 20 HIS HB3 H 1 3.072 0.020 . 2 . . . . . 122 HIS HB3 . 50638 1 40 . 1 . 1 20 20 HIS HD2 H 1 6.925 0.020 . 1 . . . . . 122 HIS HD2 . 50638 1 41 . 1 . 1 20 20 HIS C C 13 175.509 0.400 . 1 . . . . . 122 HIS C . 50638 1 42 . 1 . 1 20 20 HIS CA C 13 56.551 0.400 . 1 . . . . . 122 HIS CA . 50638 1 43 . 1 . 1 20 20 HIS CB C 13 30.873 0.400 . 1 . . . . . 122 HIS CB . 50638 1 44 . 1 . 1 20 20 HIS CD2 C 13 119.743 0.400 . 1 . . . . . 122 HIS CD2 . 50638 1 45 . 1 . 1 21 21 MET H H 1 8.259 0.020 . 1 . . . . . 123 MET H . 50638 1 46 . 1 . 1 21 21 MET HA H 1 4.423 0.020 . 1 . . . . . 123 MET HA . 50638 1 47 . 1 . 1 21 21 MET HB2 H 1 1.939 0.020 . 2 . . . . . 123 MET HB2 . 50638 1 48 . 1 . 1 21 21 MET HB3 H 1 1.939 0.020 . 2 . . . . . 123 MET HB3 . 50638 1 49 . 1 . 1 21 21 MET HG2 H 1 2.373 0.020 . 2 . . . . . 123 MET HG2 . 50638 1 50 . 1 . 1 21 21 MET HG3 H 1 2.466 0.020 . 2 . . . . . 123 MET HG3 . 50638 1 51 . 1 . 1 21 21 MET HE1 H 1 2.041 0.020 . 1 . . . . . 123 MET HE1 . 50638 1 52 . 1 . 1 21 21 MET HE2 H 1 2.041 0.020 . 1 . . . . . 123 MET HE2 . 50638 1 53 . 1 . 1 21 21 MET HE3 H 1 2.041 0.020 . 1 . . . . . 123 MET HE3 . 50638 1 54 . 1 . 1 21 21 MET C C 13 176.576 0.400 . 1 . . . . . 123 MET C . 50638 1 55 . 1 . 1 21 21 MET CA C 13 55.554 0.400 . 1 . . . . . 123 MET CA . 50638 1 56 . 1 . 1 21 21 MET CB C 13 32.554 0.400 . 1 . . . . . 123 MET CB . 50638 1 57 . 1 . 1 21 21 MET CG C 13 31.890 0.400 . 1 . . . . . 123 MET CG . 50638 1 58 . 1 . 1 21 21 MET CE C 13 16.847 0.400 . 1 . . . . . 123 MET CE . 50638 1 59 . 1 . 1 21 21 MET N N 15 121.504 0.400 . 1 . . . . . 123 MET N . 50638 1 60 . 1 . 1 22 22 GLY H H 1 8.371 0.020 . 1 . . . . . 124 GLY H . 50638 1 61 . 1 . 1 22 22 GLY HA2 H 1 3.951 0.020 . 2 . . . . . 124 GLY HA2 . 50638 1 62 . 1 . 1 22 22 GLY HA3 H 1 3.975 0.020 . 2 . . . . . 124 GLY HA3 . 50638 1 63 . 1 . 1 22 22 GLY C C 13 174.165 0.400 . 1 . . . . . 124 GLY C . 50638 1 64 . 1 . 1 22 22 GLY CA C 13 45.243 0.400 . 1 . . . . . 124 GLY CA . 50638 1 65 . 1 . 1 22 22 GLY N N 15 110.040 0.400 . 1 . . . . . 124 GLY N . 50638 1 66 . 1 . 1 23 23 GLU H H 1 8.310 0.020 . 1 . . . . . 125 GLU H . 50638 1 67 . 1 . 1 23 23 GLU HA H 1 4.289 0.020 . 1 . . . . . 125 GLU HA . 50638 1 68 . 1 . 1 23 23 GLU HB2 H 1 1.957 0.020 . 2 . . . . . 125 GLU HB2 . 50638 1 69 . 1 . 1 23 23 GLU HB3 H 1 1.957 0.020 . 2 . . . . . 125 GLU HB3 . 50638 1 70 . 1 . 1 23 23 GLU HG2 H 1 2.244 0.020 . 2 . . . . . 125 GLU HG2 . 50638 1 71 . 1 . 1 23 23 GLU HG3 H 1 2.280 0.020 . 2 . . . . . 125 GLU HG3 . 50638 1 72 . 1 . 1 23 23 GLU C C 13 176.842 0.400 . 1 . . . . . 125 GLU C . 50638 1 73 . 1 . 1 23 23 GLU CA C 13 56.634 0.400 . 1 . . . . . 125 GLU CA . 50638 1 74 . 1 . 1 23 23 GLU CB C 13 30.331 0.400 . 1 . . . . . 125 GLU CB . 50638 1 75 . 1 . 1 23 23 GLU CG C 13 36.284 0.400 . 1 . . . . . 125 GLU CG . 50638 1 76 . 1 . 1 23 23 GLU N N 15 120.667 0.400 . 1 . . . . . 125 GLU N . 50638 1 77 . 1 . 1 24 24 GLU H H 1 8.655 0.020 . 1 . . . . . 126 GLU H . 50638 1 78 . 1 . 1 24 24 GLU HA H 1 4.248 0.020 . 1 . . . . . 126 GLU HA . 50638 1 79 . 1 . 1 24 24 GLU HB2 H 1 2.059 0.020 . 2 . . . . . 126 GLU HB2 . 50638 1 80 . 1 . 1 24 24 GLU HB3 H 1 2.059 0.020 . 2 . . . . . 126 GLU HB3 . 50638 1 81 . 1 . 1 24 24 GLU HG2 H 1 2.260 0.020 . 2 . . . . . 126 GLU HG2 . 50638 1 82 . 1 . 1 24 24 GLU HG3 H 1 2.260 0.020 . 2 . . . . . 126 GLU HG3 . 50638 1 83 . 1 . 1 24 24 GLU C C 13 176.931 0.400 . 1 . . . . . 126 GLU C . 50638 1 84 . 1 . 1 24 24 GLU CA C 13 57.015 0.400 . 1 . . . . . 126 GLU CA . 50638 1 85 . 1 . 1 24 24 GLU CB C 13 29.999 0.400 . 1 . . . . . 126 GLU CB . 50638 1 86 . 1 . 1 24 24 GLU CG C 13 36.268 0.400 . 1 . . . . . 126 GLU CG . 50638 1 87 . 1 . 1 24 24 GLU N N 15 121.998 0.400 . 1 . . . . . 126 GLU N . 50638 1 88 . 1 . 1 25 25 THR H H 1 8.108 0.020 . 1 . . . . . 127 THR H . 50638 1 89 . 1 . 1 25 25 THR HA H 1 4.294 0.020 . 1 . . . . . 127 THR HA . 50638 1 90 . 1 . 1 25 25 THR HB H 1 4.200 0.020 . 1 . . . . . 127 THR HB . 50638 1 91 . 1 . 1 25 25 THR HG21 H 1 1.144 0.020 . 1 . . . . . 127 THR HG21 . 50638 1 92 . 1 . 1 25 25 THR HG22 H 1 1.144 0.020 . 1 . . . . . 127 THR HG22 . 50638 1 93 . 1 . 1 25 25 THR HG23 H 1 1.144 0.020 . 1 . . . . . 127 THR HG23 . 50638 1 94 . 1 . 1 25 25 THR C C 13 174.771 0.400 . 1 . . . . . 127 THR C . 50638 1 95 . 1 . 1 25 25 THR CA C 13 62.150 0.400 . 1 . . . . . 127 THR CA . 50638 1 96 . 1 . 1 25 25 THR CB C 13 69.740 0.400 . 1 . . . . . 127 THR CB . 50638 1 97 . 1 . 1 25 25 THR CG2 C 13 21.453 0.400 . 1 . . . . . 127 THR CG2 . 50638 1 98 . 1 . 1 25 25 THR N N 15 114.258 0.400 . 1 . . . . . 127 THR N . 50638 1 99 . 1 . 1 26 26 SER H H 1 8.211 0.020 . 1 . . . . . 128 SER H . 50638 1 100 . 1 . 1 26 26 SER HA H 1 4.372 0.020 . 1 . . . . . 128 SER HA . 50638 1 101 . 1 . 1 26 26 SER HB2 H 1 3.825 0.020 . 2 . . . . . 128 SER HB2 . 50638 1 102 . 1 . 1 26 26 SER HB3 H 1 3.825 0.020 . 2 . . . . . 128 SER HB3 . 50638 1 103 . 1 . 1 26 26 SER CA C 13 58.552 0.400 . 1 . . . . . 128 SER CA . 50638 1 104 . 1 . 1 26 26 SER CB C 13 63.800 0.400 . 1 . . . . . 128 SER CB . 50638 1 105 . 1 . 1 26 26 SER N N 15 117.410 0.400 . 1 . . . . . 128 SER N . 50638 1 106 . 1 . 1 32 32 LYS HA H 1 4.159 0.020 . 1 . . . . . 134 LYS HA . 50638 1 107 . 1 . 1 32 32 LYS HB2 H 1 1.891 0.020 . 2 . . . . . 134 LYS HB2 . 50638 1 108 . 1 . 1 32 32 LYS HB3 H 1 1.891 0.020 . 2 . . . . . 134 LYS HB3 . 50638 1 109 . 1 . 1 32 32 LYS HG2 H 1 1.477 0.020 . 2 . . . . . 134 LYS HG2 . 50638 1 110 . 1 . 1 32 32 LYS HG3 H 1 1.477 0.020 . 2 . . . . . 134 LYS HG3 . 50638 1 111 . 1 . 1 32 32 LYS HD2 H 1 1.696 0.020 . 2 . . . . . 134 LYS HD2 . 50638 1 112 . 1 . 1 32 32 LYS HD3 H 1 1.696 0.020 . 2 . . . . . 134 LYS HD3 . 50638 1 113 . 1 . 1 32 32 LYS HE2 H 1 2.972 0.020 . 2 . . . . . 134 LYS HE2 . 50638 1 114 . 1 . 1 32 32 LYS HE3 H 1 2.972 0.020 . 2 . . . . . 134 LYS HE3 . 50638 1 115 . 1 . 1 32 32 LYS C C 13 178.600 0.400 . 1 . . . . . 134 LYS C . 50638 1 116 . 1 . 1 32 32 LYS CA C 13 58.583 0.400 . 1 . . . . . 134 LYS CA . 50638 1 117 . 1 . 1 32 32 LYS CB C 13 32.417 0.400 . 1 . . . . . 134 LYS CB . 50638 1 118 . 1 . 1 32 32 LYS CG C 13 25.087 0.400 . 1 . . . . . 134 LYS CG . 50638 1 119 . 1 . 1 32 32 LYS CD C 13 29.243 0.400 . 1 . . . . . 134 LYS CD . 50638 1 120 . 1 . 1 32 32 LYS CE C 13 42.081 0.400 . 1 . . . . . 134 LYS CE . 50638 1 121 . 1 . 1 33 33 SER H H 1 7.694 0.020 . 1 . . . . . 135 SER H . 50638 1 122 . 1 . 1 33 33 SER HA H 1 4.153 0.020 . 1 . . . . . 135 SER HA . 50638 1 123 . 1 . 1 33 33 SER HB2 H 1 3.775 0.020 . 2 . . . . . 135 SER HB2 . 50638 1 124 . 1 . 1 33 33 SER HB3 H 1 3.775 0.020 . 2 . . . . . 135 SER HB3 . 50638 1 125 . 1 . 1 33 33 SER C C 13 175.131 0.400 . 1 . . . . . 135 SER C . 50638 1 126 . 1 . 1 33 33 SER CA C 13 61.016 0.400 . 1 . . . . . 135 SER CA . 50638 1 127 . 1 . 1 33 33 SER CB C 13 62.732 0.400 . 1 . . . . . 135 SER CB . 50638 1 128 . 1 . 1 33 33 SER N N 15 114.506 0.400 . 1 . . . . . 135 SER N . 50638 1 129 . 1 . 1 34 34 ARG H H 1 8.007 0.020 . 1 . . . . . 136 ARG H . 50638 1 130 . 1 . 1 34 34 ARG HA H 1 3.698 0.020 . 1 . . . . . 136 ARG HA . 50638 1 131 . 1 . 1 34 34 ARG HB2 H 1 1.846 0.020 . 2 . . . . . 136 ARG HB2 . 50638 1 132 . 1 . 1 34 34 ARG HB3 H 1 1.846 0.020 . 2 . . . . . 136 ARG HB3 . 50638 1 133 . 1 . 1 34 34 ARG HG2 H 1 1.514 0.020 . 2 . . . . . 136 ARG HG2 . 50638 1 134 . 1 . 1 34 34 ARG HG3 H 1 1.514 0.020 . 2 . . . . . 136 ARG HG3 . 50638 1 135 . 1 . 1 34 34 ARG HD2 H 1 3.269 0.020 . 2 . . . . . 136 ARG HD2 . 50638 1 136 . 1 . 1 34 34 ARG HD3 H 1 3.303 0.020 . 2 . . . . . 136 ARG HD3 . 50638 1 137 . 1 . 1 34 34 ARG C C 13 177.877 0.400 . 1 . . . . . 136 ARG C . 50638 1 138 . 1 . 1 34 34 ARG CA C 13 59.135 0.400 . 1 . . . . . 136 ARG CA . 50638 1 139 . 1 . 1 34 34 ARG CB C 13 30.240 0.400 . 1 . . . . . 136 ARG CB . 50638 1 140 . 1 . 1 34 34 ARG CG C 13 28.153 0.400 . 1 . . . . . 136 ARG CG . 50638 1 141 . 1 . 1 34 34 ARG CD C 13 43.562 0.400 . 1 . . . . . 136 ARG CD . 50638 1 142 . 1 . 1 34 34 ARG N N 15 120.875 0.400 . 1 . . . . . 136 ARG N . 50638 1 143 . 1 . 1 35 35 GLY H H 1 8.236 0.020 . 1 . . . . . 137 GLY H . 50638 1 144 . 1 . 1 35 35 GLY HA2 H 1 3.795 0.020 . 2 . . . . . 137 GLY HA2 . 50638 1 145 . 1 . 1 35 35 GLY HA3 H 1 3.976 0.020 . 2 . . . . . 137 GLY HA3 . 50638 1 146 . 1 . 1 35 35 GLY C C 13 175.702 0.400 . 1 . . . . . 137 GLY C . 50638 1 147 . 1 . 1 35 35 GLY CA C 13 46.971 0.400 . 1 . . . . . 137 GLY CA . 50638 1 148 . 1 . 1 35 35 GLY N N 15 106.897 0.400 . 1 . . . . . 137 GLY N . 50638 1 149 . 1 . 1 36 36 VAL H H 1 7.446 0.020 . 1 . . . . . 138 VAL H . 50638 1 150 . 1 . 1 36 36 VAL HA H 1 3.784 0.020 . 1 . . . . . 138 VAL HA . 50638 1 151 . 1 . 1 36 36 VAL HB H 1 1.977 0.020 . 1 . . . . . 138 VAL HB . 50638 1 152 . 1 . 1 36 36 VAL HG11 H 1 0.837 0.020 . 2 . . . . . 138 VAL HG11 . 50638 1 153 . 1 . 1 36 36 VAL HG12 H 1 0.837 0.020 . 2 . . . . . 138 VAL HG12 . 50638 1 154 . 1 . 1 36 36 VAL HG13 H 1 0.837 0.020 . 2 . . . . . 138 VAL HG13 . 50638 1 155 . 1 . 1 36 36 VAL HG21 H 1 1.030 0.020 . 2 . . . . . 138 VAL HG21 . 50638 1 156 . 1 . 1 36 36 VAL HG22 H 1 1.030 0.020 . 2 . . . . . 138 VAL HG22 . 50638 1 157 . 1 . 1 36 36 VAL HG23 H 1 1.030 0.020 . 2 . . . . . 138 VAL HG23 . 50638 1 158 . 1 . 1 36 36 VAL C C 13 178.796 0.400 . 1 . . . . . 138 VAL C . 50638 1 159 . 1 . 1 36 36 VAL CA C 13 65.919 0.400 . 1 . . . . . 138 VAL CA . 50638 1 160 . 1 . 1 36 36 VAL CB C 13 31.877 0.400 . 1 . . . . . 138 VAL CB . 50638 1 161 . 1 . 1 36 36 VAL CG1 C 13 21.125 0.400 . 2 . . . . . 138 VAL CG1 . 50638 1 162 . 1 . 1 36 36 VAL CG2 C 13 22.089 0.400 . 2 . . . . . 138 VAL CG2 . 50638 1 163 . 1 . 1 36 36 VAL N N 15 121.566 0.400 . 1 . . . . . 138 VAL N . 50638 1 164 . 1 . 1 37 37 LEU H H 1 7.422 0.020 . 1 . . . . . 139 LEU H . 50638 1 165 . 1 . 1 37 37 LEU HA H 1 3.687 0.020 . 1 . . . . . 139 LEU HA . 50638 1 166 . 1 . 1 37 37 LEU HB3 H 1 0.614 0.020 . 2 . . . . . 139 LEU HB3 . 50638 1 167 . 1 . 1 37 37 LEU HG H 1 1.345 0.020 . 1 . . . . . 139 LEU HG . 50638 1 168 . 1 . 1 37 37 LEU HD11 H 1 0.538 0.020 . 2 . . . . . 139 LEU HD11 . 50638 1 169 . 1 . 1 37 37 LEU HD12 H 1 0.538 0.020 . 2 . . . . . 139 LEU HD12 . 50638 1 170 . 1 . 1 37 37 LEU HD13 H 1 0.538 0.020 . 2 . . . . . 139 LEU HD13 . 50638 1 171 . 1 . 1 37 37 LEU HD21 H 1 -0.100 0.020 . 2 . . . . . 139 LEU HD21 . 50638 1 172 . 1 . 1 37 37 LEU HD22 H 1 -0.100 0.020 . 2 . . . . . 139 LEU HD22 . 50638 1 173 . 1 . 1 37 37 LEU HD23 H 1 -0.100 0.020 . 2 . . . . . 139 LEU HD23 . 50638 1 174 . 1 . 1 37 37 LEU C C 13 177.875 0.400 . 1 . . . . . 139 LEU C . 50638 1 175 . 1 . 1 37 37 LEU CA C 13 58.152 0.400 . 1 . . . . . 139 LEU CA . 50638 1 176 . 1 . 1 37 37 LEU CB C 13 38.072 0.400 . 1 . . . . . 139 LEU CB . 50638 1 177 . 1 . 1 37 37 LEU CG C 13 25.098 0.400 . 1 . . . . . 139 LEU CG . 50638 1 178 . 1 . 1 37 37 LEU CD1 C 13 23.331 0.400 . 2 . . . . . 139 LEU CD1 . 50638 1 179 . 1 . 1 37 37 LEU CD2 C 13 24.253 0.400 . 2 . . . . . 139 LEU CD2 . 50638 1 180 . 1 . 1 37 37 LEU N N 15 119.319 0.400 . 1 . . . . . 139 LEU N . 50638 1 181 . 1 . 1 38 38 ARG H H 1 8.041 0.020 . 1 . . . . . 140 ARG H . 50638 1 182 . 1 . 1 38 38 ARG HA H 1 4.025 0.020 . 1 . . . . . 140 ARG HA . 50638 1 183 . 1 . 1 38 38 ARG HB2 H 1 1.955 0.020 . 2 . . . . . 140 ARG HB2 . 50638 1 184 . 1 . 1 38 38 ARG HB3 H 1 1.955 0.020 . 2 . . . . . 140 ARG HB3 . 50638 1 185 . 1 . 1 38 38 ARG HG2 H 1 1.748 0.020 . 2 . . . . . 140 ARG HG2 . 50638 1 186 . 1 . 1 38 38 ARG HG3 H 1 1.748 0.020 . 2 . . . . . 140 ARG HG3 . 50638 1 187 . 1 . 1 38 38 ARG HD2 H 1 3.235 0.020 . 2 . . . . . 140 ARG HD2 . 50638 1 188 . 1 . 1 38 38 ARG HD3 H 1 3.235 0.020 . 2 . . . . . 140 ARG HD3 . 50638 1 189 . 1 . 1 38 38 ARG C C 13 179.597 0.400 . 1 . . . . . 140 ARG C . 50638 1 190 . 1 . 1 38 38 ARG CA C 13 60.197 0.400 . 1 . . . . . 140 ARG CA . 50638 1 191 . 1 . 1 38 38 ARG CB C 13 30.285 0.400 . 1 . . . . . 140 ARG CB . 50638 1 192 . 1 . 1 38 38 ARG CG C 13 27.891 0.400 . 1 . . . . . 140 ARG CG . 50638 1 193 . 1 . 1 38 38 ARG CD C 13 43.430 0.400 . 1 . . . . . 140 ARG CD . 50638 1 194 . 1 . 1 38 38 ARG N N 15 117.402 0.400 . 1 . . . . . 140 ARG N . 50638 1 195 . 1 . 1 39 39 GLU H H 1 8.079 0.020 . 1 . . . . . 141 GLU H . 50638 1 196 . 1 . 1 39 39 GLU HA H 1 4.129 0.020 . 1 . . . . . 141 GLU HA . 50638 1 197 . 1 . 1 39 39 GLU HB2 H 1 2.180 0.020 . 2 . . . . . 141 GLU HB2 . 50638 1 198 . 1 . 1 39 39 GLU HB3 H 1 2.180 0.020 . 2 . . . . . 141 GLU HB3 . 50638 1 199 . 1 . 1 39 39 GLU HG2 H 1 2.345 0.020 . 2 . . . . . 141 GLU HG2 . 50638 1 200 . 1 . 1 39 39 GLU HG3 H 1 2.345 0.020 . 2 . . . . . 141 GLU HG3 . 50638 1 201 . 1 . 1 39 39 GLU C C 13 178.602 0.400 . 1 . . . . . 141 GLU C . 50638 1 202 . 1 . 1 39 39 GLU CA C 13 59.203 0.400 . 1 . . . . . 141 GLU CA . 50638 1 203 . 1 . 1 39 39 GLU CB C 13 29.549 0.400 . 1 . . . . . 141 GLU CB . 50638 1 204 . 1 . 1 39 39 GLU CG C 13 36.408 0.400 . 1 . . . . . 141 GLU CG . 50638 1 205 . 1 . 1 39 39 GLU N N 15 119.895 0.400 . 1 . . . . . 141 GLU N . 50638 1 206 . 1 . 1 40 40 TRP H H 1 8.167 0.020 . 1 . . . . . 142 TRP H . 50638 1 207 . 1 . 1 40 40 TRP HA H 1 4.146 0.020 . 1 . . . . . 142 TRP HA . 50638 1 208 . 1 . 1 40 40 TRP HB2 H 1 3.532 0.020 . 2 . . . . . 142 TRP HB2 . 50638 1 209 . 1 . 1 40 40 TRP HB3 H 1 3.532 0.020 . 2 . . . . . 142 TRP HB3 . 50638 1 210 . 1 . 1 40 40 TRP HD1 H 1 7.336 0.020 . 1 . . . . . 142 TRP HD1 . 50638 1 211 . 1 . 1 40 40 TRP HE1 H 1 9.778 0.020 . 1 . . . . . 142 TRP HE1 . 50638 1 212 . 1 . 1 40 40 TRP HE3 H 1 7.774 0.020 . 1 . . . . . 142 TRP HE3 . 50638 1 213 . 1 . 1 40 40 TRP HZ2 H 1 7.447 0.020 . 1 . . . . . 142 TRP HZ2 . 50638 1 214 . 1 . 1 40 40 TRP HZ3 H 1 7.119 0.020 . 1 . . . . . 142 TRP HZ3 . 50638 1 215 . 1 . 1 40 40 TRP HH2 H 1 7.262 0.020 . 1 . . . . . 142 TRP HH2 . 50638 1 216 . 1 . 1 40 40 TRP C C 13 178.826 0.400 . 1 . . . . . 142 TRP C . 50638 1 217 . 1 . 1 40 40 TRP CA C 13 61.293 0.400 . 1 . . . . . 142 TRP CA . 50638 1 218 . 1 . 1 40 40 TRP CB C 13 29.022 0.400 . 1 . . . . . 142 TRP CB . 50638 1 219 . 1 . 1 40 40 TRP CD1 C 13 127.462 0.400 . 1 . . . . . 142 TRP CD1 . 50638 1 220 . 1 . 1 40 40 TRP CE3 C 13 121.392 0.400 . 1 . . . . . 142 TRP CE3 . 50638 1 221 . 1 . 1 40 40 TRP CZ2 C 13 113.997 0.400 . 1 . . . . . 142 TRP CZ2 . 50638 1 222 . 1 . 1 40 40 TRP CZ3 C 13 123.038 0.400 . 1 . . . . . 142 TRP CZ3 . 50638 1 223 . 1 . 1 40 40 TRP CH2 C 13 124.707 0.400 . 1 . . . . . 142 TRP CH2 . 50638 1 224 . 1 . 1 40 40 TRP N N 15 121.136 0.400 . 1 . . . . . 142 TRP N . 50638 1 225 . 1 . 1 40 40 TRP NE1 N 15 127.826 0.400 . 1 . . . . . 142 TRP NE1 . 50638 1 226 . 1 . 1 41 41 TYR H H 1 9.061 0.020 . 1 . . . . . 143 TYR H . 50638 1 227 . 1 . 1 41 41 TYR HA H 1 4.161 0.020 . 1 . . . . . 143 TYR HA . 50638 1 228 . 1 . 1 41 41 TYR HB2 H 1 3.224 0.020 . 2 . . . . . 143 TYR HB2 . 50638 1 229 . 1 . 1 41 41 TYR HB3 H 1 3.283 0.020 . 2 . . . . . 143 TYR HB3 . 50638 1 230 . 1 . 1 41 41 TYR HD1 H 1 7.120 0.020 . 1 . . . . . 143 TYR HD1 . 50638 1 231 . 1 . 1 41 41 TYR HD2 H 1 7.120 0.020 . 1 . . . . . 143 TYR HD2 . 50638 1 232 . 1 . 1 41 41 TYR C C 13 175.604 0.400 . 1 . . . . . 143 TYR C . 50638 1 233 . 1 . 1 41 41 TYR CA C 13 61.910 0.400 . 1 . . . . . 143 TYR CA . 50638 1 234 . 1 . 1 41 41 TYR CB C 13 38.877 0.400 . 1 . . . . . 143 TYR CB . 50638 1 235 . 1 . 1 41 41 TYR CD1 C 13 133.092 0.400 . 3 . . . . . 143 TYR CD1 . 50638 1 236 . 1 . 1 41 41 TYR N N 15 120.235 0.400 . 1 . . . . . 143 TYR N . 50638 1 237 . 1 . 1 42 42 ALA H H 1 7.404 0.020 . 1 . . . . . 144 ALA H . 50638 1 238 . 1 . 1 42 42 ALA HA H 1 4.026 0.020 . 1 . . . . . 144 ALA HA . 50638 1 239 . 1 . 1 42 42 ALA HB1 H 1 1.457 0.020 . 1 . . . . . 144 ALA HB1 . 50638 1 240 . 1 . 1 42 42 ALA HB2 H 1 1.457 0.020 . 1 . . . . . 144 ALA HB2 . 50638 1 241 . 1 . 1 42 42 ALA HB3 H 1 1.457 0.020 . 1 . . . . . 144 ALA HB3 . 50638 1 242 . 1 . 1 42 42 ALA C C 13 178.463 0.400 . 1 . . . . . 144 ALA C . 50638 1 243 . 1 . 1 42 42 ALA CA C 13 53.995 0.400 . 1 . . . . . 144 ALA CA . 50638 1 244 . 1 . 1 42 42 ALA CB C 13 18.153 0.400 . 1 . . . . . 144 ALA CB . 50638 1 245 . 1 . 1 42 42 ALA N N 15 116.066 0.400 . 1 . . . . . 144 ALA N . 50638 1 246 . 1 . 1 43 43 HIS H H 1 7.287 0.020 . 1 . . . . . 145 HIS H . 50638 1 247 . 1 . 1 43 43 HIS HA H 1 4.584 0.020 . 1 . . . . . 145 HIS HA . 50638 1 248 . 1 . 1 43 43 HIS HB2 H 1 2.957 0.020 . 2 . . . . . 145 HIS HB2 . 50638 1 249 . 1 . 1 43 43 HIS HB3 H 1 2.957 0.020 . 2 . . . . . 145 HIS HB3 . 50638 1 250 . 1 . 1 43 43 HIS HD2 H 1 6.788 0.020 . 1 . . . . . 145 HIS HD2 . 50638 1 251 . 1 . 1 43 43 HIS C C 13 175.526 0.400 . 1 . . . . . 145 HIS C . 50638 1 252 . 1 . 1 43 43 HIS CA C 13 56.462 0.400 . 1 . . . . . 145 HIS CA . 50638 1 253 . 1 . 1 43 43 HIS CB C 13 30.757 0.400 . 1 . . . . . 145 HIS CB . 50638 1 254 . 1 . 1 43 43 HIS CD2 C 13 120.496 0.400 . 1 . . . . . 145 HIS CD2 . 50638 1 255 . 1 . 1 43 43 HIS N N 15 113.839 0.400 . 1 . . . . . 145 HIS N . 50638 1 256 . 1 . 1 44 44 ASN H H 1 8.111 0.020 . 1 . . . . . 146 ASN H . 50638 1 257 . 1 . 1 44 44 ASN HA H 1 4.835 0.020 . 1 . . . . . 146 ASN HA . 50638 1 258 . 1 . 1 44 44 ASN HB2 H 1 2.518 0.020 . 2 . . . . . 146 ASN HB2 . 50638 1 259 . 1 . 1 44 44 ASN HB3 H 1 2.589 0.020 . 2 . . . . . 146 ASN HB3 . 50638 1 260 . 1 . 1 44 44 ASN HD21 H 1 6.662 0.020 . 2 . . . . . 146 ASN HD21 . 50638 1 261 . 1 . 1 44 44 ASN HD22 H 1 7.880 0.020 . 2 . . . . . 146 ASN HD22 . 50638 1 262 . 1 . 1 44 44 ASN CA C 13 50.946 0.400 . 1 . . . . . 146 ASN CA . 50638 1 263 . 1 . 1 44 44 ASN CB C 13 38.864 0.400 . 1 . . . . . 146 ASN CB . 50638 1 264 . 1 . 1 44 44 ASN N N 15 116.242 0.400 . 1 . . . . . 146 ASN N . 50638 1 265 . 1 . 1 44 44 ASN ND2 N 15 112.659 0.400 . 1 . . . . . 146 ASN ND2 . 50638 1 266 . 1 . 1 45 45 PRO HA H 1 4.382 0.020 . 1 . . . . . 147 PRO HA . 50638 1 267 . 1 . 1 45 45 PRO HB2 H 1 1.344 0.020 . 2 . . . . . 147 PRO HB2 . 50638 1 268 . 1 . 1 45 45 PRO HB3 H 1 1.540 0.020 . 2 . . . . . 147 PRO HB3 . 50638 1 269 . 1 . 1 45 45 PRO HG2 H 1 1.578 0.020 . 2 . . . . . 147 PRO HG2 . 50638 1 270 . 1 . 1 45 45 PRO HG3 H 1 1.748 0.020 . 2 . . . . . 147 PRO HG3 . 50638 1 271 . 1 . 1 45 45 PRO HD2 H 1 3.745 0.020 . 2 . . . . . 147 PRO HD2 . 50638 1 272 . 1 . 1 45 45 PRO HD3 H 1 3.403 0.020 . 2 . . . . . 147 PRO HD3 . 50638 1 273 . 1 . 1 45 45 PRO C C 13 174.555 0.400 . 1 . . . . . 147 PRO C . 50638 1 274 . 1 . 1 45 45 PRO CA C 13 63.153 0.400 . 1 . . . . . 147 PRO CA . 50638 1 275 . 1 . 1 45 45 PRO CB C 13 32.393 0.400 . 1 . . . . . 147 PRO CB . 50638 1 276 . 1 . 1 45 45 PRO CG C 13 25.958 0.400 . 1 . . . . . 147 PRO CG . 50638 1 277 . 1 . 1 45 45 PRO CD C 13 50.182 0.400 . 1 . . . . . 147 PRO CD . 50638 1 278 . 1 . 1 46 46 TYR H H 1 7.654 0.020 . 1 . . . . . 148 TYR H . 50638 1 279 . 1 . 1 46 46 TYR HA H 1 4.826 0.020 . 1 . . . . . 148 TYR HA . 50638 1 280 . 1 . 1 46 46 TYR HB2 H 1 2.770 0.020 . 2 . . . . . 148 TYR HB2 . 50638 1 281 . 1 . 1 46 46 TYR HB3 H 1 3.052 0.020 . 2 . . . . . 148 TYR HB3 . 50638 1 282 . 1 . 1 46 46 TYR HD1 H 1 7.114 0.020 . 1 . . . . . 148 TYR HD1 . 50638 1 283 . 1 . 1 46 46 TYR HD2 H 1 7.114 0.020 . 1 . . . . . 148 TYR HD2 . 50638 1 284 . 1 . 1 46 46 TYR HE1 H 1 6.789 0.020 . 1 . . . . . 148 TYR HE1 . 50638 1 285 . 1 . 1 46 46 TYR HE2 H 1 6.789 0.020 . 1 . . . . . 148 TYR HE2 . 50638 1 286 . 1 . 1 46 46 TYR CA C 13 55.434 0.400 . 1 . . . . . 148 TYR CA . 50638 1 287 . 1 . 1 46 46 TYR CB C 13 38.698 0.400 . 1 . . . . . 148 TYR CB . 50638 1 288 . 1 . 1 46 46 TYR CD1 C 13 133.625 0.400 . 3 . . . . . 148 TYR CD1 . 50638 1 289 . 1 . 1 46 46 TYR CE1 C 13 118.486 0.400 . 3 . . . . . 148 TYR CE1 . 50638 1 290 . 1 . 1 46 46 TYR N N 15 115.605 0.400 . 1 . . . . . 148 TYR N . 50638 1 291 . 1 . 1 47 47 PRO HA H 1 4.670 0.020 . 1 . . . . . 149 PRO HA . 50638 1 292 . 1 . 1 47 47 PRO HB2 H 1 1.510 0.020 . 2 . . . . . 149 PRO HB2 . 50638 1 293 . 1 . 1 47 47 PRO HB3 H 1 1.700 0.020 . 2 . . . . . 149 PRO HB3 . 50638 1 294 . 1 . 1 47 47 PRO HG2 H 1 0.977 0.020 . 2 . . . . . 149 PRO HG2 . 50638 1 295 . 1 . 1 47 47 PRO HG3 H 1 0.977 0.020 . 2 . . . . . 149 PRO HG3 . 50638 1 296 . 1 . 1 47 47 PRO HD2 H 1 3.074 0.020 . 2 . . . . . 149 PRO HD2 . 50638 1 297 . 1 . 1 47 47 PRO HD3 H 1 3.164 0.020 . 2 . . . . . 149 PRO HD3 . 50638 1 298 . 1 . 1 47 47 PRO C C 13 176.975 0.400 . 1 . . . . . 149 PRO C . 50638 1 299 . 1 . 1 47 47 PRO CA C 13 62.436 0.400 . 1 . . . . . 149 PRO CA . 50638 1 300 . 1 . 1 47 47 PRO CB C 13 31.361 0.400 . 1 . . . . . 149 PRO CB . 50638 1 301 . 1 . 1 47 47 PRO CG C 13 25.895 0.400 . 1 . . . . . 149 PRO CG . 50638 1 302 . 1 . 1 47 47 PRO CD C 13 51.079 0.400 . 1 . . . . . 149 PRO CD . 50638 1 303 . 1 . 1 48 48 SER H H 1 9.460 0.020 . 1 . . . . . 150 SER H . 50638 1 304 . 1 . 1 48 48 SER HA H 1 4.728 0.020 . 1 . . . . . 150 SER HA . 50638 1 305 . 1 . 1 48 48 SER HB2 H 1 4.058 0.020 . 2 . . . . . 150 SER HB2 . 50638 1 306 . 1 . 1 48 48 SER HB3 H 1 4.058 0.020 . 2 . . . . . 150 SER HB3 . 50638 1 307 . 1 . 1 48 48 SER CA C 13 56.771 0.400 . 1 . . . . . 150 SER CA . 50638 1 308 . 1 . 1 48 48 SER CB C 13 63.128 0.400 . 1 . . . . . 150 SER CB . 50638 1 309 . 1 . 1 48 48 SER N N 15 121.209 0.400 . 1 . . . . . 150 SER N . 50638 1 310 . 1 . 1 49 49 PRO HA H 1 4.081 0.020 . 1 . . . . . 151 PRO HA . 50638 1 311 . 1 . 1 49 49 PRO HB2 H 1 1.969 0.020 . 2 . . . . . 151 PRO HB2 . 50638 1 312 . 1 . 1 49 49 PRO HB3 H 1 2.437 0.020 . 2 . . . . . 151 PRO HB3 . 50638 1 313 . 1 . 1 49 49 PRO HG2 H 1 2.233 0.020 . 2 . . . . . 151 PRO HG2 . 50638 1 314 . 1 . 1 49 49 PRO HG3 H 1 2.041 0.020 . 2 . . . . . 151 PRO HG3 . 50638 1 315 . 1 . 1 49 49 PRO HD2 H 1 3.990 0.020 . 2 . . . . . 151 PRO HD2 . 50638 1 316 . 1 . 1 49 49 PRO HD3 H 1 3.939 0.020 . 2 . . . . . 151 PRO HD3 . 50638 1 317 . 1 . 1 49 49 PRO C C 13 179.329 0.400 . 1 . . . . . 151 PRO C . 50638 1 318 . 1 . 1 49 49 PRO CA C 13 66.878 0.400 . 1 . . . . . 151 PRO CA . 50638 1 319 . 1 . 1 49 49 PRO CB C 13 31.685 0.400 . 1 . . . . . 151 PRO CB . 50638 1 320 . 1 . 1 49 49 PRO CG C 13 28.295 0.400 . 1 . . . . . 151 PRO CG . 50638 1 321 . 1 . 1 49 49 PRO CD C 13 50.137 0.400 . 1 . . . . . 151 PRO CD . 50638 1 322 . 1 . 1 50 50 ARG H H 1 8.144 0.020 . 1 . . . . . 152 ARG H . 50638 1 323 . 1 . 1 50 50 ARG HA H 1 3.986 0.020 . 1 . . . . . 152 ARG HA . 50638 1 324 . 1 . 1 50 50 ARG HB2 H 1 1.892 0.020 . 2 . . . . . 152 ARG HB2 . 50638 1 325 . 1 . 1 50 50 ARG HB3 H 1 1.939 0.020 . 2 . . . . . 152 ARG HB3 . 50638 1 326 . 1 . 1 50 50 ARG HG2 H 1 1.563 0.020 . 2 . . . . . 152 ARG HG2 . 50638 1 327 . 1 . 1 50 50 ARG HG3 H 1 1.649 0.020 . 2 . . . . . 152 ARG HG3 . 50638 1 328 . 1 . 1 50 50 ARG HD2 H 1 3.217 0.020 . 2 . . . . . 152 ARG HD2 . 50638 1 329 . 1 . 1 50 50 ARG HD3 H 1 3.217 0.020 . 2 . . . . . 152 ARG HD3 . 50638 1 330 . 1 . 1 50 50 ARG C C 13 178.542 0.400 . 1 . . . . . 152 ARG C . 50638 1 331 . 1 . 1 50 50 ARG CA C 13 59.375 0.400 . 1 . . . . . 152 ARG CA . 50638 1 332 . 1 . 1 50 50 ARG CB C 13 29.699 0.400 . 1 . . . . . 152 ARG CB . 50638 1 333 . 1 . 1 50 50 ARG CG C 13 27.113 0.400 . 1 . . . . . 152 ARG CG . 50638 1 334 . 1 . 1 50 50 ARG CD C 13 43.416 0.400 . 1 . . . . . 152 ARG CD . 50638 1 335 . 1 . 1 50 50 ARG N N 15 117.891 0.400 . 1 . . . . . 152 ARG N . 50638 1 336 . 1 . 1 51 51 GLU H H 1 7.591 0.020 . 1 . . . . . 153 GLU H . 50638 1 337 . 1 . 1 51 51 GLU HA H 1 3.880 0.020 . 1 . . . . . 153 GLU HA . 50638 1 338 . 1 . 1 51 51 GLU HB2 H 1 2.278 0.020 . 2 . . . . . 153 GLU HB2 . 50638 1 339 . 1 . 1 51 51 GLU HB3 H 1 1.669 0.020 . 2 . . . . . 153 GLU HB3 . 50638 1 340 . 1 . 1 51 51 GLU HG2 H 1 2.292 0.020 . 2 . . . . . 153 GLU HG2 . 50638 1 341 . 1 . 1 51 51 GLU HG3 H 1 2.433 0.020 . 2 . . . . . 153 GLU HG3 . 50638 1 342 . 1 . 1 51 51 GLU C C 13 178.989 0.400 . 1 . . . . . 153 GLU C . 50638 1 343 . 1 . 1 51 51 GLU CA C 13 59.066 0.400 . 1 . . . . . 153 GLU CA . 50638 1 344 . 1 . 1 51 51 GLU CB C 13 29.625 0.400 . 1 . . . . . 153 GLU CB . 50638 1 345 . 1 . 1 51 51 GLU CG C 13 36.183 0.400 . 1 . . . . . 153 GLU CG . 50638 1 346 . 1 . 1 51 51 GLU N N 15 120.195 0.400 . 1 . . . . . 153 GLU N . 50638 1 347 . 1 . 1 52 52 LYS H H 1 8.617 0.020 . 1 . . . . . 154 LYS H . 50638 1 348 . 1 . 1 52 52 LYS HA H 1 3.579 0.020 . 1 . . . . . 154 LYS HA . 50638 1 349 . 1 . 1 52 52 LYS HB2 H 1 1.476 0.020 . 2 . . . . . 154 LYS HB2 . 50638 1 350 . 1 . 1 52 52 LYS HB3 H 1 1.934 0.020 . 2 . . . . . 154 LYS HB3 . 50638 1 351 . 1 . 1 52 52 LYS HG2 H 1 0.713 0.020 . 2 . . . . . 154 LYS HG2 . 50638 1 352 . 1 . 1 52 52 LYS HG3 H 1 0.713 0.020 . 2 . . . . . 154 LYS HG3 . 50638 1 353 . 1 . 1 52 52 LYS HD2 H 1 1.376 0.020 . 2 . . . . . 154 LYS HD2 . 50638 1 354 . 1 . 1 52 52 LYS HD3 H 1 1.376 0.020 . 2 . . . . . 154 LYS HD3 . 50638 1 355 . 1 . 1 52 52 LYS C C 13 178.003 0.400 . 1 . . . . . 154 LYS C . 50638 1 356 . 1 . 1 52 52 LYS CA C 13 60.951 0.400 . 1 . . . . . 154 LYS CA . 50638 1 357 . 1 . 1 52 52 LYS CB C 13 32.779 0.400 . 1 . . . . . 154 LYS CB . 50638 1 358 . 1 . 1 52 52 LYS CG C 13 27.198 0.400 . 1 . . . . . 154 LYS CG . 50638 1 359 . 1 . 1 52 52 LYS CD C 13 26.832 0.400 . 1 . . . . . 154 LYS CD . 50638 1 360 . 1 . 1 52 52 LYS CE C 13 41.764 0.400 . 1 . . . . . 154 LYS CE . 50638 1 361 . 1 . 1 52 52 LYS N N 15 117.492 0.400 . 1 . . . . . 154 LYS N . 50638 1 362 . 1 . 1 53 53 ARG H H 1 7.652 0.020 . 1 . . . . . 155 ARG H . 50638 1 363 . 1 . 1 53 53 ARG HA H 1 3.948 0.020 . 1 . . . . . 155 ARG HA . 50638 1 364 . 1 . 1 53 53 ARG HB2 H 1 1.960 0.020 . 2 . . . . . 155 ARG HB2 . 50638 1 365 . 1 . 1 53 53 ARG HB3 H 1 1.960 0.020 . 2 . . . . . 155 ARG HB3 . 50638 1 366 . 1 . 1 53 53 ARG HG2 H 1 1.755 0.020 . 2 . . . . . 155 ARG HG2 . 50638 1 367 . 1 . 1 53 53 ARG HG3 H 1 1.755 0.020 . 2 . . . . . 155 ARG HG3 . 50638 1 368 . 1 . 1 53 53 ARG HD2 H 1 3.207 0.020 . 2 . . . . . 155 ARG HD2 . 50638 1 369 . 1 . 1 53 53 ARG HD3 H 1 3.207 0.020 . 2 . . . . . 155 ARG HD3 . 50638 1 370 . 1 . 1 53 53 ARG C C 13 178.734 0.400 . 1 . . . . . 155 ARG C . 50638 1 371 . 1 . 1 53 53 ARG CA C 13 59.580 0.400 . 1 . . . . . 155 ARG CA . 50638 1 372 . 1 . 1 53 53 ARG CB C 13 29.473 0.400 . 1 . . . . . 155 ARG CB . 50638 1 373 . 1 . 1 53 53 ARG CG C 13 27.416 0.400 . 1 . . . . . 155 ARG CG . 50638 1 374 . 1 . 1 53 53 ARG CD C 13 43.238 0.400 . 1 . . . . . 155 ARG CD . 50638 1 375 . 1 . 1 53 53 ARG N N 15 119.114 0.400 . 1 . . . . . 155 ARG N . 50638 1 376 . 1 . 1 54 54 GLU H H 1 7.951 0.020 . 1 . . . . . 156 GLU H . 50638 1 377 . 1 . 1 54 54 GLU HA H 1 3.976 0.020 . 1 . . . . . 156 GLU HA . 50638 1 378 . 1 . 1 54 54 GLU HB2 H 1 2.019 0.020 . 2 . . . . . 156 GLU HB2 . 50638 1 379 . 1 . 1 54 54 GLU HB3 H 1 2.019 0.020 . 2 . . . . . 156 GLU HB3 . 50638 1 380 . 1 . 1 54 54 GLU HG2 H 1 2.443 0.020 . 2 . . . . . 156 GLU HG2 . 50638 1 381 . 1 . 1 54 54 GLU HG3 H 1 2.443 0.020 . 2 . . . . . 156 GLU HG3 . 50638 1 382 . 1 . 1 54 54 GLU C C 13 180.234 0.400 . 1 . . . . . 156 GLU C . 50638 1 383 . 1 . 1 54 54 GLU CA C 13 59.512 0.400 . 1 . . . . . 156 GLU CA . 50638 1 384 . 1 . 1 54 54 GLU CB C 13 29.098 0.400 . 1 . . . . . 156 GLU CB . 50638 1 385 . 1 . 1 54 54 GLU CG C 13 36.505 0.400 . 1 . . . . . 156 GLU CG . 50638 1 386 . 1 . 1 54 54 GLU N N 15 120.746 0.400 . 1 . . . . . 156 GLU N . 50638 1 387 . 1 . 1 55 55 LEU H H 1 8.298 0.020 . 1 . . . . . 157 LEU H . 50638 1 388 . 1 . 1 55 55 LEU HA H 1 3.773 0.020 . 1 . . . . . 157 LEU HA . 50638 1 389 . 1 . 1 55 55 LEU HB2 H 1 0.940 0.020 . 2 . . . . . 157 LEU HB2 . 50638 1 390 . 1 . 1 55 55 LEU HB3 H 1 1.649 0.020 . 2 . . . . . 157 LEU HB3 . 50638 1 391 . 1 . 1 55 55 LEU HG H 1 0.948 0.020 . 1 . . . . . 157 LEU HG . 50638 1 392 . 1 . 1 55 55 LEU HD11 H 1 0.009 0.020 . 2 . . . . . 157 LEU HD11 . 50638 1 393 . 1 . 1 55 55 LEU HD12 H 1 0.009 0.020 . 2 . . . . . 157 LEU HD12 . 50638 1 394 . 1 . 1 55 55 LEU HD13 H 1 0.009 0.020 . 2 . . . . . 157 LEU HD13 . 50638 1 395 . 1 . 1 55 55 LEU HD21 H 1 0.383 0.020 . 2 . . . . . 157 LEU HD21 . 50638 1 396 . 1 . 1 55 55 LEU HD22 H 1 0.383 0.020 . 2 . . . . . 157 LEU HD22 . 50638 1 397 . 1 . 1 55 55 LEU HD23 H 1 0.383 0.020 . 2 . . . . . 157 LEU HD23 . 50638 1 398 . 1 . 1 55 55 LEU C C 13 179.892 0.400 . 1 . . . . . 157 LEU C . 50638 1 399 . 1 . 1 55 55 LEU CA C 13 57.410 0.400 . 1 . . . . . 157 LEU CA . 50638 1 400 . 1 . 1 55 55 LEU CB C 13 42.722 0.400 . 1 . . . . . 157 LEU CB . 50638 1 401 . 1 . 1 55 55 LEU CG C 13 26.464 0.400 . 1 . . . . . 157 LEU CG . 50638 1 402 . 1 . 1 55 55 LEU CD1 C 13 24.454 0.400 . 2 . . . . . 157 LEU CD1 . 50638 1 403 . 1 . 1 55 55 LEU CD2 C 13 22.841 0.400 . 2 . . . . . 157 LEU CD2 . 50638 1 404 . 1 . 1 55 55 LEU N N 15 121.347 0.400 . 1 . . . . . 157 LEU N . 50638 1 405 . 1 . 1 56 56 ALA H H 1 8.414 0.020 . 1 . . . . . 158 ALA H . 50638 1 406 . 1 . 1 56 56 ALA HA H 1 3.638 0.020 . 1 . . . . . 158 ALA HA . 50638 1 407 . 1 . 1 56 56 ALA HB1 H 1 1.427 0.020 . 1 . . . . . 158 ALA HB1 . 50638 1 408 . 1 . 1 56 56 ALA HB2 H 1 1.427 0.020 . 1 . . . . . 158 ALA HB2 . 50638 1 409 . 1 . 1 56 56 ALA HB3 H 1 1.427 0.020 . 1 . . . . . 158 ALA HB3 . 50638 1 410 . 1 . 1 56 56 ALA C C 13 179.190 0.400 . 1 . . . . . 158 ALA C . 50638 1 411 . 1 . 1 56 56 ALA CA C 13 55.766 0.400 . 1 . . . . . 158 ALA CA . 50638 1 412 . 1 . 1 56 56 ALA CB C 13 17.854 0.400 . 1 . . . . . 158 ALA CB . 50638 1 413 . 1 . 1 56 56 ALA N N 15 125.889 0.400 . 1 . . . . . 158 ALA N . 50638 1 414 . 1 . 1 57 57 GLU H H 1 7.968 0.020 . 1 . . . . . 159 GLU H . 50638 1 415 . 1 . 1 57 57 GLU HA H 1 3.983 0.020 . 1 . . . . . 159 GLU HA . 50638 1 416 . 1 . 1 57 57 GLU HB2 H 1 2.073 0.020 . 2 . . . . . 159 GLU HB2 . 50638 1 417 . 1 . 1 57 57 GLU HB3 H 1 2.073 0.020 . 2 . . . . . 159 GLU HB3 . 50638 1 418 . 1 . 1 57 57 GLU HG2 H 1 2.306 0.020 . 2 . . . . . 159 GLU HG2 . 50638 1 419 . 1 . 1 57 57 GLU HG3 H 1 2.306 0.020 . 2 . . . . . 159 GLU HG3 . 50638 1 420 . 1 . 1 57 57 GLU C C 13 179.282 0.400 . 1 . . . . . 159 GLU C . 50638 1 421 . 1 . 1 57 57 GLU CA C 13 59.135 0.400 . 1 . . . . . 159 GLU CA . 50638 1 422 . 1 . 1 57 57 GLU CB C 13 29.023 0.400 . 1 . . . . . 159 GLU CB . 50638 1 423 . 1 . 1 57 57 GLU CG C 13 35.738 0.400 . 1 . . . . . 159 GLU CG . 50638 1 424 . 1 . 1 57 57 GLU N N 15 117.843 0.400 . 1 . . . . . 159 GLU N . 50638 1 425 . 1 . 1 58 58 ALA H H 1 7.883 0.020 . 1 . . . . . 160 ALA H . 50638 1 426 . 1 . 1 58 58 ALA HA H 1 4.230 0.020 . 1 . . . . . 160 ALA HA . 50638 1 427 . 1 . 1 58 58 ALA HB1 H 1 1.517 0.020 . 1 . . . . . 160 ALA HB1 . 50638 1 428 . 1 . 1 58 58 ALA HB2 H 1 1.517 0.020 . 1 . . . . . 160 ALA HB2 . 50638 1 429 . 1 . 1 58 58 ALA HB3 H 1 1.517 0.020 . 1 . . . . . 160 ALA HB3 . 50638 1 430 . 1 . 1 58 58 ALA C C 13 179.281 0.400 . 1 . . . . . 160 ALA C . 50638 1 431 . 1 . 1 58 58 ALA CA C 13 54.304 0.400 . 1 . . . . . 160 ALA CA . 50638 1 432 . 1 . 1 58 58 ALA CB C 13 19.231 0.400 . 1 . . . . . 160 ALA CB . 50638 1 433 . 1 . 1 58 58 ALA N N 15 118.907 0.400 . 1 . . . . . 160 ALA N . 50638 1 434 . 1 . 1 59 59 THR H H 1 7.628 0.020 . 1 . . . . . 161 THR H . 50638 1 435 . 1 . 1 59 59 THR HA H 1 4.345 0.020 . 1 . . . . . 161 THR HA . 50638 1 436 . 1 . 1 59 59 THR HB H 1 4.058 0.020 . 1 . . . . . 161 THR HB . 50638 1 437 . 1 . 1 59 59 THR HG21 H 1 1.151 0.020 . 1 . . . . . 161 THR HG21 . 50638 1 438 . 1 . 1 59 59 THR HG22 H 1 1.151 0.020 . 1 . . . . . 161 THR HG22 . 50638 1 439 . 1 . 1 59 59 THR HG23 H 1 1.151 0.020 . 1 . . . . . 161 THR HG23 . 50638 1 440 . 1 . 1 59 59 THR C C 13 176.264 0.400 . 1 . . . . . 161 THR C . 50638 1 441 . 1 . 1 59 59 THR CA C 13 62.050 0.400 . 1 . . . . . 161 THR CA . 50638 1 442 . 1 . 1 59 59 THR CB C 13 71.963 0.400 . 1 . . . . . 161 THR CB . 50638 1 443 . 1 . 1 59 59 THR CG2 C 13 21.783 0.400 . 1 . . . . . 161 THR CG2 . 50638 1 444 . 1 . 1 59 59 THR N N 15 103.826 0.400 . 1 . . . . . 161 THR N . 50638 1 445 . 1 . 1 60 60 GLY H H 1 8.125 0.020 . 1 . . . . . 162 GLY H . 50638 1 446 . 1 . 1 60 60 GLY HA2 H 1 3.853 0.020 . 2 . . . . . 162 GLY HA2 . 50638 1 447 . 1 . 1 60 60 GLY HA3 H 1 4.148 0.020 . 2 . . . . . 162 GLY HA3 . 50638 1 448 . 1 . 1 60 60 GLY C C 13 173.990 0.400 . 1 . . . . . 162 GLY C . 50638 1 449 . 1 . 1 60 60 GLY CA C 13 46.012 0.400 . 1 . . . . . 162 GLY CA . 50638 1 450 . 1 . 1 60 60 GLY N N 15 111.861 0.400 . 1 . . . . . 162 GLY N . 50638 1 451 . 1 . 1 61 61 LEU H H 1 7.589 0.020 . 1 . . . . . 163 LEU H . 50638 1 452 . 1 . 1 61 61 LEU HA H 1 4.610 0.020 . 1 . . . . . 163 LEU HA . 50638 1 453 . 1 . 1 61 61 LEU HB2 H 1 1.577 0.020 . 2 . . . . . 163 LEU HB2 . 50638 1 454 . 1 . 1 61 61 LEU HB3 H 1 1.448 0.020 . 2 . . . . . 163 LEU HB3 . 50638 1 455 . 1 . 1 61 61 LEU HG H 1 1.394 0.020 . 1 . . . . . 163 LEU HG . 50638 1 456 . 1 . 1 61 61 LEU HD11 H 1 0.587 0.020 . 2 . . . . . 163 LEU HD11 . 50638 1 457 . 1 . 1 61 61 LEU HD12 H 1 0.587 0.020 . 2 . . . . . 163 LEU HD12 . 50638 1 458 . 1 . 1 61 61 LEU HD13 H 1 0.587 0.020 . 2 . . . . . 163 LEU HD13 . 50638 1 459 . 1 . 1 61 61 LEU HD21 H 1 0.499 0.020 . 2 . . . . . 163 LEU HD21 . 50638 1 460 . 1 . 1 61 61 LEU HD22 H 1 0.499 0.020 . 2 . . . . . 163 LEU HD22 . 50638 1 461 . 1 . 1 61 61 LEU HD23 H 1 0.499 0.020 . 2 . . . . . 163 LEU HD23 . 50638 1 462 . 1 . 1 61 61 LEU C C 13 176.547 0.400 . 1 . . . . . 163 LEU C . 50638 1 463 . 1 . 1 61 61 LEU CA C 13 53.633 0.400 . 1 . . . . . 163 LEU CA . 50638 1 464 . 1 . 1 61 61 LEU CB C 13 44.251 0.400 . 1 . . . . . 163 LEU CB . 50638 1 465 . 1 . 1 61 61 LEU CG C 13 27.124 0.400 . 1 . . . . . 163 LEU CG . 50638 1 466 . 1 . 1 61 61 LEU CD1 C 13 22.574 0.400 . 2 . . . . . 163 LEU CD1 . 50638 1 467 . 1 . 1 61 61 LEU CD2 C 13 25.267 0.400 . 2 . . . . . 163 LEU CD2 . 50638 1 468 . 1 . 1 61 61 LEU N N 15 121.903 0.400 . 1 . . . . . 163 LEU N . 50638 1 469 . 1 . 1 62 62 THR H H 1 8.610 0.020 . 1 . . . . . 164 THR H . 50638 1 470 . 1 . 1 62 62 THR HA H 1 4.655 0.020 . 1 . . . . . 164 THR HA . 50638 1 471 . 1 . 1 62 62 THR HB H 1 4.774 0.020 . 1 . . . . . 164 THR HB . 50638 1 472 . 1 . 1 62 62 THR HG21 H 1 1.292 0.020 . 1 . . . . . 164 THR HG21 . 50638 1 473 . 1 . 1 62 62 THR HG22 H 1 1.292 0.020 . 1 . . . . . 164 THR HG22 . 50638 1 474 . 1 . 1 62 62 THR HG23 H 1 1.292 0.020 . 1 . . . . . 164 THR HG23 . 50638 1 475 . 1 . 1 62 62 THR CA C 13 60.170 0.400 . 1 . . . . . 164 THR CA . 50638 1 476 . 1 . 1 62 62 THR CB C 13 71.168 0.400 . 1 . . . . . 164 THR CB . 50638 1 477 . 1 . 1 62 62 THR CG2 C 13 21.660 0.400 . 1 . . . . . 164 THR CG2 . 50638 1 478 . 1 . 1 62 62 THR N N 15 108.361 0.400 . 1 . . . . . 164 THR N . 50638 1 479 . 1 . 1 63 63 THR HA H 1 3.666 0.020 . 1 . . . . . 165 THR HA . 50638 1 480 . 1 . 1 63 63 THR HB H 1 4.185 0.020 . 1 . . . . . 165 THR HB . 50638 1 481 . 1 . 1 63 63 THR HG21 H 1 1.212 0.020 . 1 . . . . . 165 THR HG21 . 50638 1 482 . 1 . 1 63 63 THR HG22 H 1 1.212 0.020 . 1 . . . . . 165 THR HG22 . 50638 1 483 . 1 . 1 63 63 THR HG23 H 1 1.212 0.020 . 1 . . . . . 165 THR HG23 . 50638 1 484 . 1 . 1 63 63 THR C C 13 177.113 0.400 . 1 . . . . . 165 THR C . 50638 1 485 . 1 . 1 63 63 THR CA C 13 66.609 0.400 . 1 . . . . . 165 THR CA . 50638 1 486 . 1 . 1 63 63 THR CB C 13 67.675 0.400 . 1 . . . . . 165 THR CB . 50638 1 487 . 1 . 1 63 63 THR CG2 C 13 22.893 0.400 . 1 . . . . . 165 THR CG2 . 50638 1 488 . 1 . 1 64 64 THR H H 1 9.146 0.020 . 1 . . . . . 166 THR H . 50638 1 489 . 1 . 1 64 64 THR HA H 1 3.999 0.020 . 1 . . . . . 166 THR HA . 50638 1 490 . 1 . 1 64 64 THR HB H 1 4.064 0.020 . 1 . . . . . 166 THR HB . 50638 1 491 . 1 . 1 64 64 THR HG21 H 1 1.241 0.020 . 1 . . . . . 166 THR HG21 . 50638 1 492 . 1 . 1 64 64 THR HG22 H 1 1.241 0.020 . 1 . . . . . 166 THR HG22 . 50638 1 493 . 1 . 1 64 64 THR HG23 H 1 1.241 0.020 . 1 . . . . . 166 THR HG23 . 50638 1 494 . 1 . 1 64 64 THR C C 13 175.921 0.400 . 1 . . . . . 166 THR C . 50638 1 495 . 1 . 1 64 64 THR CA C 13 66.673 0.400 . 1 . . . . . 166 THR CA . 50638 1 496 . 1 . 1 64 64 THR CB C 13 68.783 0.400 . 1 . . . . . 166 THR CB . 50638 1 497 . 1 . 1 64 64 THR CG2 C 13 21.697 0.400 . 1 . . . . . 166 THR CG2 . 50638 1 498 . 1 . 1 64 64 THR N N 15 114.136 0.400 . 1 . . . . . 166 THR N . 50638 1 499 . 1 . 1 65 65 GLN H H 1 7.932 0.020 . 1 . . . . . 167 GLN H . 50638 1 500 . 1 . 1 65 65 GLN HA H 1 4.177 0.020 . 1 . . . . . 167 GLN HA . 50638 1 501 . 1 . 1 65 65 GLN HB2 H 1 1.913 0.020 . 2 . . . . . 167 GLN HB2 . 50638 1 502 . 1 . 1 65 65 GLN HB3 H 1 2.553 0.020 . 2 . . . . . 167 GLN HB3 . 50638 1 503 . 1 . 1 65 65 GLN HG2 H 1 2.482 0.020 . 2 . . . . . 167 GLN HG2 . 50638 1 504 . 1 . 1 65 65 GLN HG3 H 1 2.482 0.020 . 2 . . . . . 167 GLN HG3 . 50638 1 505 . 1 . 1 65 65 GLN HE21 H 1 6.747 0.020 . 2 . . . . . 167 GLN HE21 . 50638 1 506 . 1 . 1 65 65 GLN HE22 H 1 7.511 0.020 . 2 . . . . . 167 GLN HE22 . 50638 1 507 . 1 . 1 65 65 GLN C C 13 180.005 0.400 . 1 . . . . . 167 GLN C . 50638 1 508 . 1 . 1 65 65 GLN CA C 13 59.443 0.400 . 1 . . . . . 167 GLN CA . 50638 1 509 . 1 . 1 65 65 GLN CB C 13 29.323 0.400 . 1 . . . . . 167 GLN CB . 50638 1 510 . 1 . 1 65 65 GLN CG C 13 35.002 0.400 . 1 . . . . . 167 GLN CG . 50638 1 511 . 1 . 1 65 65 GLN N N 15 122.156 0.400 . 1 . . . . . 167 GLN N . 50638 1 512 . 1 . 1 65 65 GLN NE2 N 15 111.256 0.400 . 1 . . . . . 167 GLN NE2 . 50638 1 513 . 1 . 1 66 66 VAL H H 1 8.397 0.020 . 1 . . . . . 168 VAL H . 50638 1 514 . 1 . 1 66 66 VAL HA H 1 3.623 0.020 . 1 . . . . . 168 VAL HA . 50638 1 515 . 1 . 1 66 66 VAL HB H 1 2.202 0.020 . 1 . . . . . 168 VAL HB . 50638 1 516 . 1 . 1 66 66 VAL HG11 H 1 0.880 0.020 . 2 . . . . . 168 VAL HG11 . 50638 1 517 . 1 . 1 66 66 VAL HG12 H 1 0.880 0.020 . 2 . . . . . 168 VAL HG12 . 50638 1 518 . 1 . 1 66 66 VAL HG13 H 1 0.880 0.020 . 2 . . . . . 168 VAL HG13 . 50638 1 519 . 1 . 1 66 66 VAL HG21 H 1 1.031 0.020 . 2 . . . . . 168 VAL HG21 . 50638 1 520 . 1 . 1 66 66 VAL HG22 H 1 1.031 0.020 . 2 . . . . . 168 VAL HG22 . 50638 1 521 . 1 . 1 66 66 VAL HG23 H 1 1.031 0.020 . 2 . . . . . 168 VAL HG23 . 50638 1 522 . 1 . 1 66 66 VAL C C 13 177.894 0.400 . 1 . . . . . 168 VAL C . 50638 1 523 . 1 . 1 66 66 VAL CA C 13 67.674 0.400 . 1 . . . . . 168 VAL CA . 50638 1 524 . 1 . 1 66 66 VAL CB C 13 32.223 0.400 . 1 . . . . . 168 VAL CB . 50638 1 525 . 1 . 1 66 66 VAL CG1 C 13 22.612 0.400 . 2 . . . . . 168 VAL CG1 . 50638 1 526 . 1 . 1 66 66 VAL CG2 C 13 22.321 0.400 . 2 . . . . . 168 VAL CG2 . 50638 1 527 . 1 . 1 66 66 VAL N N 15 120.242 0.400 . 1 . . . . . 168 VAL N . 50638 1 528 . 1 . 1 67 67 SER H H 1 8.770 0.020 . 1 . . . . . 169 SER H . 50638 1 529 . 1 . 1 67 67 SER HA H 1 4.159 0.020 . 1 . . . . . 169 SER HA . 50638 1 530 . 1 . 1 67 67 SER HB2 H 1 4.114 0.020 . 2 . . . . . 169 SER HB2 . 50638 1 531 . 1 . 1 67 67 SER HB3 H 1 4.114 0.020 . 2 . . . . . 169 SER HB3 . 50638 1 532 . 1 . 1 67 67 SER C C 13 177.378 0.400 . 1 . . . . . 169 SER C . 50638 1 533 . 1 . 1 67 67 SER CA C 13 62.869 0.400 . 1 . . . . . 169 SER CA . 50638 1 534 . 1 . 1 67 67 SER CB C 13 63.309 0.400 . 1 . . . . . 169 SER CB . 50638 1 535 . 1 . 1 67 67 SER N N 15 115.420 0.400 . 1 . . . . . 169 SER N . 50638 1 536 . 1 . 1 68 68 ASN H H 1 8.762 0.020 . 1 . . . . . 170 ASN H . 50638 1 537 . 1 . 1 68 68 ASN HA H 1 4.539 0.020 . 1 . . . . . 170 ASN HA . 50638 1 538 . 1 . 1 68 68 ASN HB2 H 1 2.878 0.020 . 2 . . . . . 170 ASN HB2 . 50638 1 539 . 1 . 1 68 68 ASN HB3 H 1 3.004 0.020 . 2 . . . . . 170 ASN HB3 . 50638 1 540 . 1 . 1 68 68 ASN HD21 H 1 7.059 0.020 . 2 . . . . . 170 ASN HD21 . 50638 1 541 . 1 . 1 68 68 ASN HD22 H 1 7.727 0.020 . 2 . . . . . 170 ASN HD22 . 50638 1 542 . 1 . 1 68 68 ASN C C 13 176.940 0.400 . 1 . . . . . 170 ASN C . 50638 1 543 . 1 . 1 68 68 ASN CA C 13 55.914 0.400 . 1 . . . . . 170 ASN CA . 50638 1 544 . 1 . 1 68 68 ASN CB C 13 37.812 0.400 . 1 . . . . . 170 ASN CB . 50638 1 545 . 1 . 1 68 68 ASN N N 15 119.937 0.400 . 1 . . . . . 170 ASN N . 50638 1 546 . 1 . 1 68 68 ASN ND2 N 15 112.466 0.400 . 1 . . . . . 170 ASN ND2 . 50638 1 547 . 1 . 1 69 69 TRP H H 1 8.514 0.020 . 1 . . . . . 171 TRP H . 50638 1 548 . 1 . 1 69 69 TRP HA H 1 4.037 0.020 . 1 . . . . . 171 TRP HA . 50638 1 549 . 1 . 1 69 69 TRP HB2 H 1 3.284 0.020 . 2 . . . . . 171 TRP HB2 . 50638 1 550 . 1 . 1 69 69 TRP HB3 H 1 3.617 0.020 . 2 . . . . . 171 TRP HB3 . 50638 1 551 . 1 . 1 69 69 TRP HD1 H 1 6.994 0.020 . 1 . . . . . 171 TRP HD1 . 50638 1 552 . 1 . 1 69 69 TRP HE1 H 1 9.996 0.020 . 1 . . . . . 171 TRP HE1 . 50638 1 553 . 1 . 1 69 69 TRP HE3 H 1 6.583 0.020 . 1 . . . . . 171 TRP HE3 . 50638 1 554 . 1 . 1 69 69 TRP HZ2 H 1 7.212 0.020 . 1 . . . . . 171 TRP HZ2 . 50638 1 555 . 1 . 1 69 69 TRP HZ3 H 1 5.759 0.020 . 1 . . . . . 171 TRP HZ3 . 50638 1 556 . 1 . 1 69 69 TRP HH2 H 1 6.305 0.020 . 1 . . . . . 171 TRP HH2 . 50638 1 557 . 1 . 1 69 69 TRP C C 13 179.638 0.400 . 1 . . . . . 171 TRP C . 50638 1 558 . 1 . 1 69 69 TRP CA C 13 62.960 0.400 . 1 . . . . . 171 TRP CA . 50638 1 559 . 1 . 1 69 69 TRP CB C 13 29.009 0.400 . 1 . . . . . 171 TRP CB . 50638 1 560 . 1 . 1 69 69 TRP CD1 C 13 126.951 0.400 . 1 . . . . . 171 TRP CD1 . 50638 1 561 . 1 . 1 69 69 TRP CE3 C 13 120.896 0.400 . 1 . . . . . 171 TRP CE3 . 50638 1 562 . 1 . 1 69 69 TRP CZ2 C 13 113.835 0.400 . 1 . . . . . 171 TRP CZ2 . 50638 1 563 . 1 . 1 69 69 TRP CZ3 C 13 120.812 0.400 . 1 . . . . . 171 TRP CZ3 . 50638 1 564 . 1 . 1 69 69 TRP CH2 C 13 122.500 0.400 . 1 . . . . . 171 TRP CH2 . 50638 1 565 . 1 . 1 69 69 TRP N N 15 123.260 0.400 . 1 . . . . . 171 TRP N . 50638 1 566 . 1 . 1 69 69 TRP NE1 N 15 129.113 0.400 . 1 . . . . . 171 TRP NE1 . 50638 1 567 . 1 . 1 70 70 PHE H H 1 8.646 0.020 . 1 . . . . . 172 PHE H . 50638 1 568 . 1 . 1 70 70 PHE HA H 1 3.879 0.020 . 1 . . . . . 172 PHE HA . 50638 1 569 . 1 . 1 70 70 PHE HB2 H 1 3.303 0.020 . 2 . . . . . 172 PHE HB2 . 50638 1 570 . 1 . 1 70 70 PHE HB3 H 1 3.407 0.020 . 2 . . . . . 172 PHE HB3 . 50638 1 571 . 1 . 1 70 70 PHE HD1 H 1 7.950 0.020 . 1 . . . . . 172 PHE HD1 . 50638 1 572 . 1 . 1 70 70 PHE HD2 H 1 7.950 0.020 . 1 . . . . . 172 PHE HD2 . 50638 1 573 . 1 . 1 70 70 PHE HE1 H 1 7.557 0.020 . 1 . . . . . 172 PHE HE1 . 50638 1 574 . 1 . 1 70 70 PHE HE2 H 1 7.557 0.020 . 1 . . . . . 172 PHE HE2 . 50638 1 575 . 1 . 1 70 70 PHE HZ H 1 7.135 0.020 . 1 . . . . . 172 PHE HZ . 50638 1 576 . 1 . 1 70 70 PHE C C 13 177.665 0.400 . 1 . . . . . 172 PHE C . 50638 1 577 . 1 . 1 70 70 PHE CA C 13 63.620 0.400 . 1 . . . . . 172 PHE CA . 50638 1 578 . 1 . 1 70 70 PHE CB C 13 39.591 0.400 . 1 . . . . . 172 PHE CB . 50638 1 579 . 1 . 1 70 70 PHE CD1 C 13 132.685 0.400 . 3 . . . . . 172 PHE CD1 . 50638 1 580 . 1 . 1 70 70 PHE CE1 C 13 131.630 0.400 . 3 . . . . . 172 PHE CE1 . 50638 1 581 . 1 . 1 70 70 PHE CZ C 13 132.797 0.400 . 1 . . . . . 172 PHE CZ . 50638 1 582 . 1 . 1 70 70 PHE N N 15 118.506 0.400 . 1 . . . . . 172 PHE N . 50638 1 583 . 1 . 1 71 71 LYS H H 1 8.318 0.020 . 1 . . . . . 173 LYS H . 50638 1 584 . 1 . 1 71 71 LYS HA H 1 3.977 0.020 . 1 . . . . . 173 LYS HA . 50638 1 585 . 1 . 1 71 71 LYS HB2 H 1 1.981 0.020 . 2 . . . . . 173 LYS HB2 . 50638 1 586 . 1 . 1 71 71 LYS HB3 H 1 1.981 0.020 . 2 . . . . . 173 LYS HB3 . 50638 1 587 . 1 . 1 71 71 LYS HG2 H 1 1.636 0.020 . 2 . . . . . 173 LYS HG2 . 50638 1 588 . 1 . 1 71 71 LYS HG3 H 1 1.419 0.020 . 2 . . . . . 173 LYS HG3 . 50638 1 589 . 1 . 1 71 71 LYS HD2 H 1 1.723 0.020 . 2 . . . . . 173 LYS HD2 . 50638 1 590 . 1 . 1 71 71 LYS HD3 H 1 1.723 0.020 . 2 . . . . . 173 LYS HD3 . 50638 1 591 . 1 . 1 71 71 LYS HE2 H 1 3.012 0.020 . 2 . . . . . 173 LYS HE2 . 50638 1 592 . 1 . 1 71 71 LYS HE3 H 1 3.012 0.020 . 2 . . . . . 173 LYS HE3 . 50638 1 593 . 1 . 1 71 71 LYS C C 13 179.041 0.400 . 1 . . . . . 173 LYS C . 50638 1 594 . 1 . 1 71 71 LYS CA C 13 60.231 0.400 . 1 . . . . . 173 LYS CA . 50638 1 595 . 1 . 1 71 71 LYS CB C 13 32.478 0.400 . 1 . . . . . 173 LYS CB . 50638 1 596 . 1 . 1 71 71 LYS CG C 13 24.527 0.400 . 1 . . . . . 173 LYS CG . 50638 1 597 . 1 . 1 71 71 LYS CD C 13 29.517 0.400 . 1 . . . . . 173 LYS CD . 50638 1 598 . 1 . 1 71 71 LYS CE C 13 42.017 0.400 . 1 . . . . . 173 LYS CE . 50638 1 599 . 1 . 1 71 71 LYS N N 15 119.479 0.400 . 1 . . . . . 173 LYS N . 50638 1 600 . 1 . 1 72 72 ASN H H 1 8.123 0.020 . 1 . . . . . 174 ASN H . 50638 1 601 . 1 . 1 72 72 ASN HA H 1 4.317 0.020 . 1 . . . . . 174 ASN HA . 50638 1 602 . 1 . 1 72 72 ASN HB2 H 1 2.507 0.020 . 2 . . . . . 174 ASN HB2 . 50638 1 603 . 1 . 1 72 72 ASN HB3 H 1 2.672 0.020 . 2 . . . . . 174 ASN HB3 . 50638 1 604 . 1 . 1 72 72 ASN HD21 H 1 6.869 0.020 . 2 . . . . . 174 ASN HD21 . 50638 1 605 . 1 . 1 72 72 ASN HD22 H 1 7.488 0.020 . 2 . . . . . 174 ASN HD22 . 50638 1 606 . 1 . 1 72 72 ASN C C 13 177.098 0.400 . 1 . . . . . 174 ASN C . 50638 1 607 . 1 . 1 72 72 ASN CA C 13 55.983 0.400 . 1 . . . . . 174 ASN CA . 50638 1 608 . 1 . 1 72 72 ASN CB C 13 38.263 0.400 . 1 . . . . . 174 ASN CB . 50638 1 609 . 1 . 1 72 72 ASN N N 15 117.348 0.400 . 1 . . . . . 174 ASN N . 50638 1 610 . 1 . 1 72 72 ASN ND2 N 15 113.034 0.400 . 1 . . . . . 174 ASN ND2 . 50638 1 611 . 1 . 1 73 73 ARG H H 1 7.862 0.020 . 1 . . . . . 175 ARG H . 50638 1 612 . 1 . 1 73 73 ARG HA H 1 3.489 0.020 . 1 . . . . . 175 ARG HA . 50638 1 613 . 1 . 1 73 73 ARG HB3 H 1 0.919 0.020 . 2 . . . . . 175 ARG HB3 . 50638 1 614 . 1 . 1 73 73 ARG C C 13 178.359 0.400 . 1 . . . . . 175 ARG C . 50638 1 615 . 1 . 1 73 73 ARG CA C 13 57.776 0.400 . 1 . . . . . 175 ARG CA . 50638 1 616 . 1 . 1 73 73 ARG CB C 13 28.660 0.400 . 1 . . . . . 175 ARG CB . 50638 1 617 . 1 . 1 73 73 ARG CG C 13 24.870 0.400 . 1 . . . . . 175 ARG CG . 50638 1 618 . 1 . 1 73 73 ARG CD C 13 41.898 0.400 . 1 . . . . . 175 ARG CD . 50638 1 619 . 1 . 1 73 73 ARG N N 15 122.064 0.400 . 1 . . . . . 175 ARG N . 50638 1 620 . 1 . 1 74 74 ARG H H 1 8.234 0.020 . 1 . . . . . 176 ARG H . 50638 1 621 . 1 . 1 74 74 ARG HA H 1 4.302 0.020 . 1 . . . . . 176 ARG HA . 50638 1 622 . 1 . 1 74 74 ARG HB2 H 1 1.779 0.020 . 2 . . . . . 176 ARG HB2 . 50638 1 623 . 1 . 1 74 74 ARG HB3 H 1 2.138 0.020 . 2 . . . . . 176 ARG HB3 . 50638 1 624 . 1 . 1 74 74 ARG HG2 H 1 2.183 0.020 . 2 . . . . . 176 ARG HG2 . 50638 1 625 . 1 . 1 74 74 ARG HG3 H 1 2.183 0.020 . 2 . . . . . 176 ARG HG3 . 50638 1 626 . 1 . 1 74 74 ARG HD2 H 1 2.904 0.020 . 2 . . . . . 176 ARG HD2 . 50638 1 627 . 1 . 1 74 74 ARG HD3 H 1 2.904 0.020 . 2 . . . . . 176 ARG HD3 . 50638 1 628 . 1 . 1 74 74 ARG C C 13 179.633 0.400 . 1 . . . . . 176 ARG C . 50638 1 629 . 1 . 1 74 74 ARG CA C 13 59.820 0.400 . 1 . . . . . 176 ARG CA . 50638 1 630 . 1 . 1 74 74 ARG CB C 13 31.352 0.400 . 1 . . . . . 176 ARG CB . 50638 1 631 . 1 . 1 74 74 ARG CG C 13 27.992 0.400 . 1 . . . . . 176 ARG CG . 50638 1 632 . 1 . 1 74 74 ARG CD C 13 43.992 0.400 . 1 . . . . . 176 ARG CD . 50638 1 633 . 1 . 1 74 74 ARG N N 15 117.815 0.400 . 1 . . . . . 176 ARG N . 50638 1 634 . 1 . 1 75 75 GLN H H 1 7.707 0.020 . 1 . . . . . 177 GLN H . 50638 1 635 . 1 . 1 75 75 GLN HA H 1 4.061 0.020 . 1 . . . . . 177 GLN HA . 50638 1 636 . 1 . 1 75 75 GLN HB2 H 1 2.161 0.020 . 2 . . . . . 177 GLN HB2 . 50638 1 637 . 1 . 1 75 75 GLN HB3 H 1 2.161 0.020 . 2 . . . . . 177 GLN HB3 . 50638 1 638 . 1 . 1 75 75 GLN HG2 H 1 2.425 0.020 . 2 . . . . . 177 GLN HG2 . 50638 1 639 . 1 . 1 75 75 GLN HG3 H 1 2.526 0.020 . 2 . . . . . 177 GLN HG3 . 50638 1 640 . 1 . 1 75 75 GLN HE21 H 1 6.874 0.020 . 2 . . . . . 177 GLN HE21 . 50638 1 641 . 1 . 1 75 75 GLN HE22 H 1 7.451 0.020 . 2 . . . . . 177 GLN HE22 . 50638 1 642 . 1 . 1 75 75 GLN C C 13 178.310 0.400 . 1 . . . . . 177 GLN C . 50638 1 643 . 1 . 1 75 75 GLN CA C 13 58.450 0.400 . 1 . . . . . 177 GLN CA . 50638 1 644 . 1 . 1 75 75 GLN CB C 13 28.271 0.400 . 1 . . . . . 177 GLN CB . 50638 1 645 . 1 . 1 75 75 GLN CG C 13 33.930 0.400 . 1 . . . . . 177 GLN CG . 50638 1 646 . 1 . 1 75 75 GLN N N 15 117.746 0.400 . 1 . . . . . 177 GLN N . 50638 1 647 . 1 . 1 75 75 GLN NE2 N 15 111.790 0.400 . 1 . . . . . 177 GLN NE2 . 50638 1 648 . 1 . 1 76 76 ARG H H 1 7.795 0.020 . 1 . . . . . 178 ARG H . 50638 1 649 . 1 . 1 76 76 ARG HA H 1 4.075 0.020 . 1 . . . . . 178 ARG HA . 50638 1 650 . 1 . 1 76 76 ARG HB2 H 1 1.740 0.020 . 2 . . . . . 178 ARG HB2 . 50638 1 651 . 1 . 1 76 76 ARG HB3 H 1 1.861 0.020 . 2 . . . . . 178 ARG HB3 . 50638 1 652 . 1 . 1 76 76 ARG HG2 H 1 1.579 0.020 . 2 . . . . . 178 ARG HG2 . 50638 1 653 . 1 . 1 76 76 ARG HG3 H 1 1.579 0.020 . 2 . . . . . 178 ARG HG3 . 50638 1 654 . 1 . 1 76 76 ARG HD2 H 1 3.043 0.020 . 2 . . . . . 178 ARG HD2 . 50638 1 655 . 1 . 1 76 76 ARG HD3 H 1 3.043 0.020 . 2 . . . . . 178 ARG HD3 . 50638 1 656 . 1 . 1 76 76 ARG C C 13 177.996 0.400 . 1 . . . . . 178 ARG C . 50638 1 657 . 1 . 1 76 76 ARG CA C 13 58.312 0.400 . 1 . . . . . 178 ARG CA . 50638 1 658 . 1 . 1 76 76 ARG CB C 13 29.999 0.400 . 1 . . . . . 178 ARG CB . 50638 1 659 . 1 . 1 76 76 ARG CG C 13 26.964 0.400 . 1 . . . . . 178 ARG CG . 50638 1 660 . 1 . 1 76 76 ARG CD C 13 43.407 0.400 . 1 . . . . . 178 ARG CD . 50638 1 661 . 1 . 1 76 76 ARG N N 15 119.879 0.400 . 1 . . . . . 178 ARG N . 50638 1 662 . 1 . 1 77 77 ASP H H 1 7.946 0.020 . 1 . . . . . 179 ASP H . 50638 1 663 . 1 . 1 77 77 ASP HA H 1 4.582 0.020 . 1 . . . . . 179 ASP HA . 50638 1 664 . 1 . 1 77 77 ASP HB2 H 1 2.701 0.020 . 2 . . . . . 179 ASP HB2 . 50638 1 665 . 1 . 1 77 77 ASP HB3 H 1 2.845 0.020 . 2 . . . . . 179 ASP HB3 . 50638 1 666 . 1 . 1 77 77 ASP C C 13 177.167 0.400 . 1 . . . . . 179 ASP C . 50638 1 667 . 1 . 1 77 77 ASP CA C 13 55.606 0.400 . 1 . . . . . 179 ASP CA . 50638 1 668 . 1 . 1 77 77 ASP CB C 13 40.592 0.400 . 1 . . . . . 179 ASP CB . 50638 1 669 . 1 . 1 77 77 ASP N N 15 119.703 0.400 . 1 . . . . . 179 ASP N . 50638 1 670 . 1 . 1 78 78 ARG H H 1 7.940 0.020 . 1 . . . . . 180 ARG H . 50638 1 671 . 1 . 1 78 78 ARG HA H 1 4.218 0.020 . 1 . . . . . 180 ARG HA . 50638 1 672 . 1 . 1 78 78 ARG HB2 H 1 1.923 0.020 . 2 . . . . . 180 ARG HB2 . 50638 1 673 . 1 . 1 78 78 ARG HB3 H 1 1.923 0.020 . 2 . . . . . 180 ARG HB3 . 50638 1 674 . 1 . 1 78 78 ARG HG2 H 1 1.698 0.020 . 2 . . . . . 180 ARG HG2 . 50638 1 675 . 1 . 1 78 78 ARG HG3 H 1 1.698 0.020 . 2 . . . . . 180 ARG HG3 . 50638 1 676 . 1 . 1 78 78 ARG HD2 H 1 3.249 0.020 . 2 . . . . . 180 ARG HD2 . 50638 1 677 . 1 . 1 78 78 ARG HD3 H 1 3.249 0.020 . 2 . . . . . 180 ARG HD3 . 50638 1 678 . 1 . 1 78 78 ARG C C 13 177.124 0.400 . 1 . . . . . 180 ARG C . 50638 1 679 . 1 . 1 78 78 ARG CA C 13 57.285 0.400 . 1 . . . . . 180 ARG CA . 50638 1 680 . 1 . 1 78 78 ARG CB C 13 29.924 0.400 . 1 . . . . . 180 ARG CB . 50638 1 681 . 1 . 1 78 78 ARG CG C 13 26.964 0.400 . 1 . . . . . 180 ARG CG . 50638 1 682 . 1 . 1 78 78 ARG CD C 13 43.224 0.400 . 1 . . . . . 180 ARG CD . 50638 1 683 . 1 . 1 78 78 ARG N N 15 120.249 0.400 . 1 . . . . . 180 ARG N . 50638 1 684 . 1 . 1 79 79 ALA H H 1 8.073 0.020 . 1 . . . . . 181 ALA H . 50638 1 685 . 1 . 1 79 79 ALA HA H 1 4.268 0.020 . 1 . . . . . 181 ALA HA . 50638 1 686 . 1 . 1 79 79 ALA HB1 H 1 1.444 0.020 . 1 . . . . . 181 ALA HB1 . 50638 1 687 . 1 . 1 79 79 ALA HB2 H 1 1.444 0.020 . 1 . . . . . 181 ALA HB2 . 50638 1 688 . 1 . 1 79 79 ALA HB3 H 1 1.444 0.020 . 1 . . . . . 181 ALA HB3 . 50638 1 689 . 1 . 1 79 79 ALA C C 13 178.144 0.400 . 1 . . . . . 181 ALA C . 50638 1 690 . 1 . 1 79 79 ALA CA C 13 53.140 0.400 . 1 . . . . . 181 ALA CA . 50638 1 691 . 1 . 1 79 79 ALA CB C 13 18.731 0.400 . 1 . . . . . 181 ALA CB . 50638 1 692 . 1 . 1 79 79 ALA N N 15 123.129 0.400 . 1 . . . . . 181 ALA N . 50638 1 693 . 1 . 1 80 80 ALA H H 1 8.009 0.020 . 1 . . . . . 182 ALA H . 50638 1 694 . 1 . 1 80 80 ALA HA H 1 4.278 0.020 . 1 . . . . . 182 ALA HA . 50638 1 695 . 1 . 1 80 80 ALA HB1 H 1 1.448 0.020 . 1 . . . . . 182 ALA HB1 . 50638 1 696 . 1 . 1 80 80 ALA HB2 H 1 1.448 0.020 . 1 . . . . . 182 ALA HB2 . 50638 1 697 . 1 . 1 80 80 ALA HB3 H 1 1.448 0.020 . 1 . . . . . 182 ALA HB3 . 50638 1 698 . 1 . 1 80 80 ALA C C 13 178.051 0.400 . 1 . . . . . 182 ALA C . 50638 1 699 . 1 . 1 80 80 ALA CA C 13 52.865 0.400 . 1 . . . . . 182 ALA CA . 50638 1 700 . 1 . 1 80 80 ALA CB C 13 18.956 0.400 . 1 . . . . . 182 ALA CB . 50638 1 701 . 1 . 1 80 80 ALA N N 15 121.881 0.400 . 1 . . . . . 182 ALA N . 50638 1 702 . 1 . 1 81 81 GLU H H 1 8.066 0.020 . 1 . . . . . 183 GLU H . 50638 1 703 . 1 . 1 81 81 GLU HA H 1 4.245 0.020 . 1 . . . . . 183 GLU HA . 50638 1 704 . 1 . 1 81 81 GLU HB2 H 1 2.014 0.020 . 2 . . . . . 183 GLU HB2 . 50638 1 705 . 1 . 1 81 81 GLU HB3 H 1 2.014 0.020 . 2 . . . . . 183 GLU HB3 . 50638 1 706 . 1 . 1 81 81 GLU HG2 H 1 2.315 0.020 . 2 . . . . . 183 GLU HG2 . 50638 1 707 . 1 . 1 81 81 GLU HG3 H 1 2.315 0.020 . 2 . . . . . 183 GLU HG3 . 50638 1 708 . 1 . 1 81 81 GLU C C 13 176.134 0.400 . 1 . . . . . 183 GLU C . 50638 1 709 . 1 . 1 81 81 GLU CA C 13 56.531 0.400 . 1 . . . . . 183 GLU CA . 50638 1 710 . 1 . 1 81 81 GLU CB C 13 30.300 0.400 . 1 . . . . . 183 GLU CB . 50638 1 711 . 1 . 1 81 81 GLU CG C 13 36.280 0.400 . 1 . . . . . 183 GLU CG . 50638 1 712 . 1 . 1 81 81 GLU N N 15 119.273 0.400 . 1 . . . . . 183 GLU N . 50638 1 713 . 1 . 1 82 82 ALA H H 1 8.110 0.020 . 1 . . . . . 184 ALA H . 50638 1 714 . 1 . 1 82 82 ALA HA H 1 4.325 0.020 . 1 . . . . . 184 ALA HA . 50638 1 715 . 1 . 1 82 82 ALA HB1 H 1 1.385 0.020 . 1 . . . . . 184 ALA HB1 . 50638 1 716 . 1 . 1 82 82 ALA HB2 H 1 1.385 0.020 . 1 . . . . . 184 ALA HB2 . 50638 1 717 . 1 . 1 82 82 ALA HB3 H 1 1.385 0.020 . 1 . . . . . 184 ALA HB3 . 50638 1 718 . 1 . 1 82 82 ALA C C 13 176.553 0.400 . 1 . . . . . 184 ALA C . 50638 1 719 . 1 . 1 82 82 ALA CA C 13 52.410 0.400 . 1 . . . . . 184 ALA CA . 50638 1 720 . 1 . 1 82 82 ALA CB C 13 19.106 0.400 . 1 . . . . . 184 ALA CB . 50638 1 721 . 1 . 1 82 82 ALA N N 15 125.327 0.400 . 1 . . . . . 184 ALA N . 50638 1 722 . 1 . 1 83 83 LYS H H 1 7.862 0.020 . 1 . . . . . 185 LYS H . 50638 1 723 . 1 . 1 83 83 LYS HA H 1 4.147 0.020 . 1 . . . . . 185 LYS HA . 50638 1 724 . 1 . 1 83 83 LYS HB2 H 1 1.698 0.020 . 2 . . . . . 185 LYS HB2 . 50638 1 725 . 1 . 1 83 83 LYS HB3 H 1 1.820 0.020 . 2 . . . . . 185 LYS HB3 . 50638 1 726 . 1 . 1 83 83 LYS HG2 H 1 1.398 0.020 . 2 . . . . . 185 LYS HG2 . 50638 1 727 . 1 . 1 83 83 LYS HG3 H 1 1.398 0.020 . 2 . . . . . 185 LYS HG3 . 50638 1 728 . 1 . 1 83 83 LYS HD2 H 1 1.667 0.020 . 2 . . . . . 185 LYS HD2 . 50638 1 729 . 1 . 1 83 83 LYS HD3 H 1 1.667 0.020 . 2 . . . . . 185 LYS HD3 . 50638 1 730 . 1 . 1 83 83 LYS HE2 H 1 2.994 0.020 . 2 . . . . . 185 LYS HE2 . 50638 1 731 . 1 . 1 83 83 LYS HE3 H 1 2.994 0.020 . 2 . . . . . 185 LYS HE3 . 50638 1 732 . 1 . 1 83 83 LYS CA C 13 57.567 0.400 . 1 . . . . . 185 LYS CA . 50638 1 733 . 1 . 1 83 83 LYS CB C 13 33.680 0.400 . 1 . . . . . 185 LYS CB . 50638 1 734 . 1 . 1 83 83 LYS CG C 13 24.752 0.400 . 1 . . . . . 185 LYS CG . 50638 1 735 . 1 . 1 83 83 LYS CD C 13 29.170 0.400 . 1 . . . . . 185 LYS CD . 50638 1 736 . 1 . 1 83 83 LYS CE C 13 42.127 0.400 . 1 . . . . . 185 LYS CE . 50638 1 737 . 1 . 1 83 83 LYS N N 15 126.305 0.400 . 1 . . . . . 185 LYS N . 50638 1 stop_ save_