data_50099 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50099 _Entry.Title ; Nipah virus phosphoprotein residues 91-190 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-29 _Entry.Accession_date 2019-11-29 _Entry.Last_release_date 2019-12-02 _Entry.Original_release_date 2019-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _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 1 _Entry.Generated_software_label $software_1 _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 Malene Jensen . . . . 50099 2 Martin Blackledge . . . . 50099 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Biologie Structurale, Grenoble, France' . 50099 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50099 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 50099 '15N chemical shifts' 93 50099 '1H chemical shifts' 93 50099 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 . . 2020-05-29 2019-11-29 update BMRB 'update entry citation' 50099 1 . . 2020-01-10 2019-11-29 original author 'original release' 50099 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50098 'Nipah virus phosphoprotein residues 1-100' 50099 BMRB 50100 'Nipah virus phosphoprotein residues 173-240' 50099 BMRB 50101 'Nipah virus phosphoprotein residues 223-319' 50099 BMRB 50102 'Nipah virus phosphoprotein residues 299-401' 50099 BMRB 50103 'Nipah virus phosphoprotein residues 387-479' 50099 BMRB 50105 'Nipah virus phosphoprotein residues 588-650' 50099 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50099 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32348724 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Description of the Nipah Virus Phosphoprotein and Its Interaction With STAT1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 118 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 2470 _Citation.Page_last 2488 _Citation.Year 2020 _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 'Malene Ringkjybing' Jensen M. R. . . 50099 1 2 Filip Yabukarski F. . . . 50099 1 3 Guillaume Communie G. . . . 50099 1 4 Eric Condamine E. . . . 50099 1 5 Caroline Mas C. . . . 50099 1 6 Valentina Volchkova V. . . . 50099 1 7 Nicolas Tarbouriech N. . . . 50099 1 8 Jean-Marie Bourhis J. M. . . 50099 1 9 Viktor Volchkov V. . . . 50099 1 10 Martin Blackledge M. . . . 50099 1 11 Marc Jamin M. . . . 50099 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50099 _Assembly.ID 1 _Assembly.Name 'Nipah virus phosphoprotein, residues 91-190' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Nipah virus phosphoprotein' 1 $entity_1 . . yes native no no . . . 50099 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50099 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nipah virus phosphoprotein, residues 91-190' _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 ; MRVSNTRDWAEGSDDIQLDP VVTDVVYHDHGGECTGYGFT SSPERGWSDYTSGANNGNVC LVSDAKMLSYAPEIAVSKED RETDLVHLENKLSTTGLNPT ALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _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 90 MET . 50099 1 2 91 ARG . 50099 1 3 92 VAL . 50099 1 4 93 SER . 50099 1 5 94 ASN . 50099 1 6 95 THR . 50099 1 7 96 ARG . 50099 1 8 97 ASP . 50099 1 9 98 TRP . 50099 1 10 99 ALA . 50099 1 11 100 GLU . 50099 1 12 101 GLY . 50099 1 13 102 SER . 50099 1 14 103 ASP . 50099 1 15 104 ASP . 50099 1 16 105 ILE . 50099 1 17 106 GLN . 50099 1 18 107 LEU . 50099 1 19 108 ASP . 50099 1 20 109 PRO . 50099 1 21 110 VAL . 50099 1 22 111 VAL . 50099 1 23 112 THR . 50099 1 24 113 ASP . 50099 1 25 114 VAL . 50099 1 26 115 VAL . 50099 1 27 116 TYR . 50099 1 28 117 HIS . 50099 1 29 118 ASP . 50099 1 30 119 HIS . 50099 1 31 120 GLY . 50099 1 32 121 GLY . 50099 1 33 122 GLU . 50099 1 34 123 CYS . 50099 1 35 124 THR . 50099 1 36 125 GLY . 50099 1 37 126 TYR . 50099 1 38 127 GLY . 50099 1 39 128 PHE . 50099 1 40 129 THR . 50099 1 41 130 SER . 50099 1 42 131 SER . 50099 1 43 132 PRO . 50099 1 44 133 GLU . 50099 1 45 134 ARG . 50099 1 46 135 GLY . 50099 1 47 136 TRP . 50099 1 48 137 SER . 50099 1 49 138 ASP . 50099 1 50 139 TYR . 50099 1 51 140 THR . 50099 1 52 141 SER . 50099 1 53 142 GLY . 50099 1 54 143 ALA . 50099 1 55 144 ASN . 50099 1 56 145 ASN . 50099 1 57 146 GLY . 50099 1 58 147 ASN . 50099 1 59 148 VAL . 50099 1 60 149 CYS . 50099 1 61 150 LEU . 50099 1 62 151 VAL . 50099 1 63 152 SER . 50099 1 64 153 ASP . 50099 1 65 154 ALA . 50099 1 66 155 LYS . 50099 1 67 156 MET . 50099 1 68 157 LEU . 50099 1 69 158 SER . 50099 1 70 159 TYR . 50099 1 71 160 ALA . 50099 1 72 161 PRO . 50099 1 73 162 GLU . 50099 1 74 163 ILE . 50099 1 75 164 ALA . 50099 1 76 165 VAL . 50099 1 77 166 SER . 50099 1 78 167 LYS . 50099 1 79 168 GLU . 50099 1 80 169 ASP . 50099 1 81 170 ARG . 50099 1 82 171 GLU . 50099 1 83 172 THR . 50099 1 84 173 ASP . 50099 1 85 174 LEU . 50099 1 86 175 VAL . 50099 1 87 176 HIS . 50099 1 88 177 LEU . 50099 1 89 178 GLU . 50099 1 90 179 ASN . 50099 1 91 180 LYS . 50099 1 92 181 LEU . 50099 1 93 182 SER . 50099 1 94 183 THR . 50099 1 95 184 THR . 50099 1 96 185 GLY . 50099 1 97 186 LEU . 50099 1 98 187 ASN . 50099 1 99 188 PRO . 50099 1 100 189 THR . 50099 1 101 190 ALA . 50099 1 102 191 LEU . 50099 1 103 192 GLU . 50099 1 104 193 HIS . 50099 1 105 194 HIS . 50099 1 106 195 HIS . 50099 1 107 196 HIS . 50099 1 108 197 HIS . 50099 1 109 198 HIS . 50099 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 50099 1 . ARG 2 2 50099 1 . VAL 3 3 50099 1 . SER 4 4 50099 1 . ASN 5 5 50099 1 . THR 6 6 50099 1 . ARG 7 7 50099 1 . ASP 8 8 50099 1 . TRP 9 9 50099 1 . ALA 10 10 50099 1 . GLU 11 11 50099 1 . GLY 12 12 50099 1 . SER 13 13 50099 1 . ASP 14 14 50099 1 . ASP 15 15 50099 1 . ILE 16 16 50099 1 . GLN 17 17 50099 1 . LEU 18 18 50099 1 . ASP 19 19 50099 1 . PRO 20 20 50099 1 . VAL 21 21 50099 1 . VAL 22 22 50099 1 . THR 23 23 50099 1 . ASP 24 24 50099 1 . VAL 25 25 50099 1 . VAL 26 26 50099 1 . TYR 27 27 50099 1 . HIS 28 28 50099 1 . ASP 29 29 50099 1 . HIS 30 30 50099 1 . GLY 31 31 50099 1 . GLY 32 32 50099 1 . GLU 33 33 50099 1 . CYS 34 34 50099 1 . THR 35 35 50099 1 . GLY 36 36 50099 1 . TYR 37 37 50099 1 . GLY 38 38 50099 1 . PHE 39 39 50099 1 . THR 40 40 50099 1 . SER 41 41 50099 1 . SER 42 42 50099 1 . PRO 43 43 50099 1 . GLU 44 44 50099 1 . ARG 45 45 50099 1 . GLY 46 46 50099 1 . TRP 47 47 50099 1 . SER 48 48 50099 1 . ASP 49 49 50099 1 . TYR 50 50 50099 1 . THR 51 51 50099 1 . SER 52 52 50099 1 . GLY 53 53 50099 1 . ALA 54 54 50099 1 . ASN 55 55 50099 1 . ASN 56 56 50099 1 . GLY 57 57 50099 1 . ASN 58 58 50099 1 . VAL 59 59 50099 1 . CYS 60 60 50099 1 . LEU 61 61 50099 1 . VAL 62 62 50099 1 . SER 63 63 50099 1 . ASP 64 64 50099 1 . ALA 65 65 50099 1 . LYS 66 66 50099 1 . MET 67 67 50099 1 . LEU 68 68 50099 1 . SER 69 69 50099 1 . TYR 70 70 50099 1 . ALA 71 71 50099 1 . PRO 72 72 50099 1 . GLU 73 73 50099 1 . ILE 74 74 50099 1 . ALA 75 75 50099 1 . VAL 76 76 50099 1 . SER 77 77 50099 1 . LYS 78 78 50099 1 . GLU 79 79 50099 1 . ASP 80 80 50099 1 . ARG 81 81 50099 1 . GLU 82 82 50099 1 . THR 83 83 50099 1 . ASP 84 84 50099 1 . LEU 85 85 50099 1 . VAL 86 86 50099 1 . HIS 87 87 50099 1 . LEU 88 88 50099 1 . GLU 89 89 50099 1 . ASN 90 90 50099 1 . LYS 91 91 50099 1 . LEU 92 92 50099 1 . SER 93 93 50099 1 . THR 94 94 50099 1 . THR 95 95 50099 1 . GLY 96 96 50099 1 . LEU 97 97 50099 1 . ASN 98 98 50099 1 . PRO 99 99 50099 1 . THR 100 100 50099 1 . ALA 101 101 50099 1 . LEU 102 102 50099 1 . GLU 103 103 50099 1 . HIS 104 104 50099 1 . HIS 105 105 50099 1 . HIS 106 106 50099 1 . HIS 107 107 50099 1 . HIS 108 108 50099 1 . HIS 109 109 50099 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 50099 _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 . 121791 virus . 'Nipah virus' 'Nipah virus' . . Virus . henipavirus 'Nipah virus' . . . . . . . . . . . . . 50099 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 50099 _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' . . . . . . . . plasmid . . pET28 . . . 50099 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50099 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50099 1 2 'Bis-Tris ph 6.0' 'natural abundance' . . . . . . 20 . . mM . . . . 50099 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50099 1 4 Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 50099 1 5 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 50099 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 50099 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 50099 _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 50099 1 pH 6.0 . pH 50099 1 pressure 1 . atm 50099 1 temperature 298 . K 50099 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50099 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 50099 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 50099 1 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 50099 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50099 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50099 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50099 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50099 1 4 '3D HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50099 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50099 1 6 '3D HNCOCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50099 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50099 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 50099 _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 C 13 water protons . . . . ppm 4.774 internal indirect 0.251449530 . . . . . 50099 1 H 1 water protons . . . . ppm 4.774 internal direct 1 . . . . . 50099 1 N 15 water protons . . . . ppm 4.774 internal indirect 0.101329118 . . . . . 50099 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 50099 _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' . . . 50099 1 2 '3D HNCO' . . . 50099 1 3 '3D HNCACO' . . . 50099 1 4 '3D HNCOCA' . . . 50099 1 5 '3D HNCA' . . . 50099 1 6 '3D HNCOCACB' . . . 50099 1 7 '3D HNCACB' . . . 50099 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 4 4 SER C C 13 174.190 . . 1 . . . . . 93 S CO . 50099 1 2 . 1 . 1 4 4 SER CA C 13 58.140 . . 1 . . . . . 93 S CA . 50099 1 3 . 1 . 1 4 4 SER CB C 13 63.960 . . 1 . . . . . 93 S CB . 50099 1 4 . 1 . 1 5 5 ASN H H 1 8.550 . . 1 . . . . . 94 N HN . 50099 1 5 . 1 . 1 5 5 ASN C C 13 175.390 . . 1 . . . . . 94 N CO . 50099 1 6 . 1 . 1 5 5 ASN CA C 13 53.300 . . 1 . . . . . 94 N CA . 50099 1 7 . 1 . 1 5 5 ASN CB C 13 38.990 . . 1 . . . . . 94 N CB . 50099 1 8 . 1 . 1 5 5 ASN N N 15 121.440 . . 1 . . . . . 94 N N . 50099 1 9 . 1 . 1 6 6 THR H H 1 8.140 . . 1 . . . . . 95 T HN . 50099 1 10 . 1 . 1 6 6 THR C C 13 174.530 . . 1 . . . . . 95 T CO . 50099 1 11 . 1 . 1 6 6 THR CA C 13 62.060 . . 1 . . . . . 95 T CA . 50099 1 12 . 1 . 1 6 6 THR CB C 13 69.790 . . 1 . . . . . 95 T CB . 50099 1 13 . 1 . 1 6 6 THR N N 15 114.170 . . 1 . . . . . 95 T N . 50099 1 14 . 1 . 1 7 7 ARG H H 1 8.290 . . 1 . . . . . 96 R HN . 50099 1 15 . 1 . 1 7 7 ARG C C 13 175.890 . . 1 . . . . . 96 R CO . 50099 1 16 . 1 . 1 7 7 ARG CA C 13 56.170 . . 1 . . . . . 96 R CA . 50099 1 17 . 1 . 1 7 7 ARG CB C 13 30.600 . . 1 . . . . . 96 R CB . 50099 1 18 . 1 . 1 7 7 ARG N N 15 122.960 . . 1 . . . . . 96 R N . 50099 1 19 . 1 . 1 8 8 ASP H H 1 8.270 . . 1 . . . . . 97 D HN . 50099 1 20 . 1 . 1 8 8 ASP C C 13 175.910 . . 1 . . . . . 97 D CO . 50099 1 21 . 1 . 1 8 8 ASP CA C 13 54.410 . . 1 . . . . . 97 D CA . 50099 1 22 . 1 . 1 8 8 ASP CB C 13 41.040 . . 1 . . . . . 97 D CB . 50099 1 23 . 1 . 1 8 8 ASP N N 15 121.450 . . 1 . . . . . 97 D N . 50099 1 24 . 1 . 1 9 9 TRP H H 1 7.960 . . 1 . . . . . 98 W HN . 50099 1 25 . 1 . 1 9 9 TRP C C 13 175.840 . . 1 . . . . . 98 W CO . 50099 1 26 . 1 . 1 9 9 TRP CA C 13 57.430 . . 1 . . . . . 98 W CA . 50099 1 27 . 1 . 1 9 9 TRP CB C 13 29.490 . . 1 . . . . . 98 W CB . 50099 1 28 . 1 . 1 9 9 TRP N N 15 121.530 . . 1 . . . . . 98 W N . 50099 1 29 . 1 . 1 10 10 ALA H H 1 8.000 . . 1 . . . . . 99 A HN . 50099 1 30 . 1 . 1 10 10 ALA C C 13 177.300 . . 1 . . . . . 99 A CO . 50099 1 31 . 1 . 1 10 10 ALA CA C 13 52.350 . . 1 . . . . . 99 A CA . 50099 1 32 . 1 . 1 10 10 ALA CB C 13 19.470 . . 1 . . . . . 99 A CB . 50099 1 33 . 1 . 1 10 10 ALA N N 15 125.490 . . 1 . . . . . 99 A N . 50099 1 34 . 1 . 1 11 11 GLU H H 1 8.130 . . 1 . . . . . 100 E HN . 50099 1 35 . 1 . 1 11 11 GLU C C 13 177.060 . . 1 . . . . . 100 E CO . 50099 1 36 . 1 . 1 11 11 GLU CA C 13 56.910 . . 1 . . . . . 100 E CA . 50099 1 37 . 1 . 1 11 11 GLU CB C 13 30.080 . . 1 . . . . . 100 E CB . 50099 1 38 . 1 . 1 11 11 GLU N N 15 120.210 . . 1 . . . . . 100 E N . 50099 1 39 . 1 . 1 12 12 GLY H H 1 8.410 . . 1 . . . . . 101 G HN . 50099 1 40 . 1 . 1 12 12 GLY C C 13 174.310 . . 1 . . . . . 101 G CO . 50099 1 41 . 1 . 1 12 12 GLY CA C 13 45.390 . . 1 . . . . . 101 G CA . 50099 1 42 . 1 . 1 12 12 GLY N N 15 110.440 . . 1 . . . . . 101 G N . 50099 1 43 . 1 . 1 13 13 SER H H 1 8.130 . . 1 . . . . . 102 S HN . 50099 1 44 . 1 . 1 13 13 SER C C 13 174.400 . . 1 . . . . . 102 S CO . 50099 1 45 . 1 . 1 13 13 SER CA C 13 58.430 . . 1 . . . . . 102 S CA . 50099 1 46 . 1 . 1 13 13 SER CB C 13 64.100 . . 1 . . . . . 102 S CB . 50099 1 47 . 1 . 1 13 13 SER N N 15 115.410 . . 1 . . . . . 102 S N . 50099 1 48 . 1 . 1 14 14 ASP H H 1 8.440 . . 1 . . . . . 103 D HN . 50099 1 49 . 1 . 1 14 14 ASP C C 13 175.880 . . 1 . . . . . 103 D CO . 50099 1 50 . 1 . 1 14 14 ASP CA C 13 54.510 . . 1 . . . . . 103 D CA . 50099 1 51 . 1 . 1 14 14 ASP CB C 13 41.200 . . 1 . . . . . 103 D CB . 50099 1 52 . 1 . 1 14 14 ASP N N 15 122.080 . . 1 . . . . . 103 D N . 50099 1 53 . 1 . 1 15 15 ASP H H 1 8.230 . . 1 . . . . . 104 D HN . 50099 1 54 . 1 . 1 15 15 ASP C C 13 176.040 . . 1 . . . . . 104 D CO . 50099 1 55 . 1 . 1 15 15 ASP CA C 13 54.410 . . 1 . . . . . 104 D CA . 50099 1 56 . 1 . 1 15 15 ASP CB C 13 41.120 . . 1 . . . . . 104 D CB . 50099 1 57 . 1 . 1 15 15 ASP N N 15 120.270 . . 1 . . . . . 104 D N . 50099 1 58 . 1 . 1 16 16 ILE H H 1 7.960 . . 1 . . . . . 105 I HN . 50099 1 59 . 1 . 1 16 16 ILE C C 13 176.000 . . 1 . . . . . 105 I CO . 50099 1 60 . 1 . 1 16 16 ILE CA C 13 61.200 . . 1 . . . . . 105 I CA . 50099 1 61 . 1 . 1 16 16 ILE CB C 13 38.800 . . 1 . . . . . 105 I CB . 50099 1 62 . 1 . 1 16 16 ILE N N 15 120.850 . . 1 . . . . . 105 I N . 50099 1 63 . 1 . 1 17 17 GLN H H 1 8.410 . . 1 . . . . . 106 Q HN . 50099 1 64 . 1 . 1 17 17 GLN C C 13 175.510 . . 1 . . . . . 106 Q CO . 50099 1 65 . 1 . 1 17 17 GLN CA C 13 55.470 . . 1 . . . . . 106 Q CA . 50099 1 66 . 1 . 1 17 17 GLN CB C 13 29.350 . . 1 . . . . . 106 Q CB . 50099 1 67 . 1 . 1 17 17 GLN N N 15 124.700 . . 1 . . . . . 106 Q N . 50099 1 68 . 1 . 1 18 18 LEU H H 1 8.280 . . 1 . . . . . 107 L HN . 50099 1 69 . 1 . 1 18 18 LEU C C 13 176.790 . . 1 . . . . . 107 L CO . 50099 1 70 . 1 . 1 18 18 LEU CA C 13 54.820 . . 1 . . . . . 107 L CA . 50099 1 71 . 1 . 1 18 18 LEU CB C 13 42.720 . . 1 . . . . . 107 L CB . 50099 1 72 . 1 . 1 18 18 LEU N N 15 124.480 . . 1 . . . . . 107 L N . 50099 1 73 . 1 . 1 19 19 ASP H H 1 8.320 . . 1 . . . . . 108 D HN . 50099 1 74 . 1 . 1 19 19 ASP C C 13 174.320 . . 1 . . . . . 108 D CO . 50099 1 75 . 1 . 1 19 19 ASP CA C 13 52.570 . . 1 . . . . . 108 D CA . 50099 1 76 . 1 . 1 19 19 ASP CB C 13 40.270 . . 1 . . . . . 108 D CB . 50099 1 77 . 1 . 1 19 19 ASP N N 15 122.770 . . 1 . . . . . 108 D N . 50099 1 78 . 1 . 1 20 20 PRO C C 13 176.870 . . 1 . . . . . 109 P CO . 50099 1 79 . 1 . 1 20 20 PRO CA C 13 63.200 . . 1 . . . . . 109 P CA . 50099 1 80 . 1 . 1 20 20 PRO CB C 13 32.120 . . 1 . . . . . 109 P CB . 50099 1 81 . 1 . 1 21 21 VAL H H 1 8.240 . . 1 . . . . . 110 V HN . 50099 1 82 . 1 . 1 21 21 VAL C C 13 176.450 . . 1 . . . . . 110 V CO . 50099 1 83 . 1 . 1 21 21 VAL CA C 13 62.710 . . 1 . . . . . 110 V CA . 50099 1 84 . 1 . 1 21 21 VAL CB C 13 32.490 . . 1 . . . . . 110 V CB . 50099 1 85 . 1 . 1 21 21 VAL N N 15 120.710 . . 1 . . . . . 110 V N . 50099 1 86 . 1 . 1 22 22 VAL H H 1 8.220 . . 1 . . . . . 111 V HN . 50099 1 87 . 1 . 1 22 22 VAL C C 13 176.260 . . 1 . . . . . 111 V CO . 50099 1 88 . 1 . 1 22 22 VAL CA C 13 62.350 . . 1 . . . . . 111 V CA . 50099 1 89 . 1 . 1 22 22 VAL CB C 13 32.670 . . 1 . . . . . 111 V CB . 50099 1 90 . 1 . 1 22 22 VAL N N 15 124.320 . . 1 . . . . . 111 V N . 50099 1 91 . 1 . 1 23 23 THR H H 1 8.170 . . 1 . . . . . 112 T HN . 50099 1 92 . 1 . 1 23 23 THR C C 13 174.070 . . 1 . . . . . 112 T CO . 50099 1 93 . 1 . 1 23 23 THR CA C 13 61.680 . . 1 . . . . . 112 T CA . 50099 1 94 . 1 . 1 23 23 THR CB C 13 69.870 . . 1 . . . . . 112 T CB . 50099 1 95 . 1 . 1 23 23 THR N N 15 117.690 . . 1 . . . . . 112 T N . 50099 1 96 . 1 . 1 24 24 ASP H H 1 8.280 . . 1 . . . . . 113 D HN . 50099 1 97 . 1 . 1 24 24 ASP C C 13 175.920 . . 1 . . . . . 113 D CO . 50099 1 98 . 1 . 1 24 24 ASP CA C 13 54.390 . . 1 . . . . . 113 D CA . 50099 1 99 . 1 . 1 24 24 ASP CB C 13 41.190 . . 1 . . . . . 113 D CB . 50099 1 100 . 1 . 1 24 24 ASP N N 15 123.010 . . 1 . . . . . 113 D N . 50099 1 101 . 1 . 1 25 25 VAL H H 1 8.020 . . 1 . . . . . 114 V HN . 50099 1 102 . 1 . 1 25 25 VAL C C 13 175.760 . . 1 . . . . . 114 V CO . 50099 1 103 . 1 . 1 25 25 VAL CA C 13 62.510 . . 1 . . . . . 114 V CA . 50099 1 104 . 1 . 1 25 25 VAL CB C 13 32.710 . . 1 . . . . . 114 V CB . 50099 1 105 . 1 . 1 25 25 VAL N N 15 120.510 . . 1 . . . . . 114 V N . 50099 1 106 . 1 . 1 26 26 VAL H H 1 8.050 . . 1 . . . . . 115 V HN . 50099 1 107 . 1 . 1 26 26 VAL C C 13 175.460 . . 1 . . . . . 115 V CO . 50099 1 108 . 1 . 1 26 26 VAL CA C 13 62.160 . . 1 . . . . . 115 V CA . 50099 1 109 . 1 . 1 26 26 VAL CB C 13 32.790 . . 1 . . . . . 115 V CB . 50099 1 110 . 1 . 1 26 26 VAL N N 15 123.950 . . 1 . . . . . 115 V N . 50099 1 111 . 1 . 1 27 27 TYR H H 1 8.270 . . 1 . . . . . 116 Y HN . 50099 1 112 . 1 . 1 27 27 TYR C C 13 175.410 . . 1 . . . . . 116 Y CO . 50099 1 113 . 1 . 1 27 27 TYR CA C 13 57.930 . . 1 . . . . . 116 Y CA . 50099 1 114 . 1 . 1 27 27 TYR CB C 13 38.980 . . 1 . . . . . 116 Y CB . 50099 1 115 . 1 . 1 27 27 TYR N N 15 124.530 . . 1 . . . . . 116 Y N . 50099 1 116 . 1 . 1 28 28 HIS H H 1 8.220 . . 1 . . . . . 117 H HN . 50099 1 117 . 1 . 1 28 28 HIS C C 13 173.830 . . 1 . . . . . 117 H CO . 50099 1 118 . 1 . 1 28 28 HIS CA C 13 55.190 . . 1 . . . . . 117 H CA . 50099 1 119 . 1 . 1 28 28 HIS CB C 13 30.120 . . 1 . . . . . 117 H CB . 50099 1 120 . 1 . 1 28 28 HIS N N 15 121.300 . . 1 . . . . . 117 H N . 50099 1 121 . 1 . 1 29 29 ASP H H 1 8.320 . . 1 . . . . . 118 D HN . 50099 1 122 . 1 . 1 29 29 ASP C C 13 176.110 . . 1 . . . . . 118 D CO . 50099 1 123 . 1 . 1 29 29 ASP CA C 13 54.380 . . 1 . . . . . 118 D CA . 50099 1 124 . 1 . 1 29 29 ASP CB C 13 41.240 . . 1 . . . . . 118 D CB . 50099 1 125 . 1 . 1 29 29 ASP N N 15 121.610 . . 1 . . . . . 118 D N . 50099 1 126 . 1 . 1 30 30 HIS H H 1 8.530 . . 1 . . . . . 119 H HN . 50099 1 127 . 1 . 1 30 30 HIS C C 13 175.320 . . 1 . . . . . 119 H CO . 50099 1 128 . 1 . 1 30 30 HIS CA C 13 55.840 . . 1 . . . . . 119 H CA . 50099 1 129 . 1 . 1 30 30 HIS CB C 13 29.060 . . 1 . . . . . 119 H CB . 50099 1 130 . 1 . 1 30 30 HIS N N 15 119.400 . . 1 . . . . . 119 H N . 50099 1 131 . 1 . 1 31 31 GLY H H 1 8.540 . . 1 . . . . . 120 G HN . 50099 1 132 . 1 . 1 31 31 GLY C C 13 174.750 . . 1 . . . . . 120 G CO . 50099 1 133 . 1 . 1 31 31 GLY CA C 13 45.670 . . 1 . . . . . 120 G CA . 50099 1 134 . 1 . 1 31 31 GLY N N 15 109.850 . . 1 . . . . . 120 G N . 50099 1 135 . 1 . 1 32 32 GLY H H 1 8.330 . . 1 . . . . . 121 G HN . 50099 1 136 . 1 . 1 32 32 GLY C C 13 174.290 . . 1 . . . . . 121 G CO . 50099 1 137 . 1 . 1 32 32 GLY CA C 13 45.290 . . 1 . . . . . 121 G CA . 50099 1 138 . 1 . 1 32 32 GLY N N 15 109.060 . . 1 . . . . . 121 G N . 50099 1 139 . 1 . 1 33 33 GLU H H 1 8.380 . . 1 . . . . . 122 E HN . 50099 1 140 . 1 . 1 33 33 GLU C C 13 176.650 . . 1 . . . . . 122 E CO . 50099 1 141 . 1 . 1 33 33 GLU CA C 13 56.730 . . 1 . . . . . 122 E CA . 50099 1 142 . 1 . 1 33 33 GLU CB C 13 30.210 . . 1 . . . . . 122 E CB . 50099 1 143 . 1 . 1 33 33 GLU N N 15 120.600 . . 1 . . . . . 122 E N . 50099 1 144 . 1 . 1 34 34 CYS H H 1 8.480 . . 1 . . . . . 123 C HN . 50099 1 145 . 1 . 1 34 34 CYS C C 13 174.880 . . 1 . . . . . 123 C CO . 50099 1 146 . 1 . 1 34 34 CYS CA C 13 58.580 . . 1 . . . . . 123 C CA . 50099 1 147 . 1 . 1 34 34 CYS CB C 13 27.820 . . 1 . . . . . 123 C CB . 50099 1 148 . 1 . 1 34 34 CYS N N 15 120.170 . . 1 . . . . . 123 C N . 50099 1 149 . 1 . 1 35 35 THR H H 1 8.190 . . 1 . . . . . 124 T HN . 50099 1 150 . 1 . 1 35 35 THR C C 13 174.950 . . 1 . . . . . 124 T CO . 50099 1 151 . 1 . 1 35 35 THR CA C 13 62.100 . . 1 . . . . . 124 T CA . 50099 1 152 . 1 . 1 35 35 THR CB C 13 69.840 . . 1 . . . . . 124 T CB . 50099 1 153 . 1 . 1 35 35 THR N N 15 115.970 . . 1 . . . . . 124 T N . 50099 1 154 . 1 . 1 36 36 GLY H H 1 8.310 . . 1 . . . . . 125 G HN . 50099 1 155 . 1 . 1 36 36 GLY C C 13 173.820 . . 1 . . . . . 125 G CO . 50099 1 156 . 1 . 1 36 36 GLY CA C 13 45.260 . . 1 . . . . . 125 G CA . 50099 1 157 . 1 . 1 36 36 GLY N N 15 110.880 . . 1 . . . . . 125 G N . 50099 1 158 . 1 . 1 37 37 TYR H H 1 8.090 . . 1 . . . . . 126 Y HN . 50099 1 159 . 1 . 1 37 37 TYR C C 13 176.340 . . 1 . . . . . 126 Y CO . 50099 1 160 . 1 . 1 37 37 TYR CA C 13 58.220 . . 1 . . . . . 126 Y CA . 50099 1 161 . 1 . 1 37 37 TYR CB C 13 38.760 . . 1 . . . . . 126 Y CB . 50099 1 162 . 1 . 1 37 37 TYR N N 15 120.100 . . 1 . . . . . 126 Y N . 50099 1 163 . 1 . 1 38 38 GLY H H 1 8.290 . . 1 . . . . . 127 G HN . 50099 1 164 . 1 . 1 38 38 GLY C C 13 173.780 . . 1 . . . . . 127 G CO . 50099 1 165 . 1 . 1 38 38 GLY CA C 13 45.280 . . 1 . . . . . 127 G CA . 50099 1 166 . 1 . 1 38 38 GLY N N 15 110.490 . . 1 . . . . . 127 G N . 50099 1 167 . 1 . 1 39 39 PHE H H 1 8.000 . . 1 . . . . . 128 F HN . 50099 1 168 . 1 . 1 39 39 PHE C C 13 176.090 . . 1 . . . . . 128 F CO . 50099 1 169 . 1 . 1 39 39 PHE CA C 13 57.860 . . 1 . . . . . 128 F CA . 50099 1 170 . 1 . 1 39 39 PHE CB C 13 39.730 . . 1 . . . . . 128 F CB . 50099 1 171 . 1 . 1 39 39 PHE N N 15 119.860 . . 1 . . . . . 128 F N . 50099 1 172 . 1 . 1 40 40 THR H H 1 8.120 . . 1 . . . . . 129 T HN . 50099 1 173 . 1 . 1 40 40 THR C C 13 174.060 . . 1 . . . . . 129 T CO . 50099 1 174 . 1 . 1 40 40 THR CA C 13 61.650 . . 1 . . . . . 129 T CA . 50099 1 175 . 1 . 1 40 40 THR CB C 13 70.020 . . 1 . . . . . 129 T CB . 50099 1 176 . 1 . 1 40 40 THR N N 15 115.570 . . 1 . . . . . 129 T N . 50099 1 177 . 1 . 1 41 41 SER H H 1 8.250 . . 1 . . . . . 130 S HN . 50099 1 178 . 1 . 1 41 41 SER C C 13 174.010 . . 1 . . . . . 130 S CO . 50099 1 179 . 1 . 1 41 41 SER CA C 13 58.200 . . 1 . . . . . 130 S CA . 50099 1 180 . 1 . 1 41 41 SER CB C 13 63.990 . . 1 . . . . . 130 S CB . 50099 1 181 . 1 . 1 41 41 SER N N 15 118.120 . . 1 . . . . . 130 S N . 50099 1 182 . 1 . 1 42 42 SER H H 1 8.290 . . 1 . . . . . 131 S HN . 50099 1 183 . 1 . 1 42 42 SER CA C 13 56.410 . . 1 . . . . . 131 S CA . 50099 1 184 . 1 . 1 42 42 SER CB C 13 63.690 . . 1 . . . . . 131 S CB . 50099 1 185 . 1 . 1 42 42 SER N N 15 118.470 . . 1 . . . . . 131 S N . 50099 1 186 . 1 . 1 43 43 PRO C C 13 177.100 . . 1 . . . . . 132 P CO . 50099 1 187 . 1 . 1 43 43 PRO CA C 13 63.590 . . 1 . . . . . 132 P CA . 50099 1 188 . 1 . 1 43 43 PRO CB C 13 31.960 . . 1 . . . . . 132 P CB . 50099 1 189 . 1 . 1 44 44 GLU H H 1 8.430 . . 1 . . . . . 133 E HN . 50099 1 190 . 1 . 1 44 44 GLU C C 13 176.670 . . 1 . . . . . 133 E CO . 50099 1 191 . 1 . 1 44 44 GLU CA C 13 56.960 . . 1 . . . . . 133 E CA . 50099 1 192 . 1 . 1 44 44 GLU CB C 13 29.860 . . 1 . . . . . 133 E CB . 50099 1 193 . 1 . 1 44 44 GLU N N 15 120.430 . . 1 . . . . . 133 E N . 50099 1 194 . 1 . 1 45 45 ARG H H 1 8.190 . . 1 . . . . . 134 R HN . 50099 1 195 . 1 . 1 45 45 ARG C C 13 176.690 . . 1 . . . . . 134 R CO . 50099 1 196 . 1 . 1 45 45 ARG CA C 13 56.290 . . 1 . . . . . 134 R CA . 50099 1 197 . 1 . 1 45 45 ARG CB C 13 30.680 . . 1 . . . . . 134 R CB . 50099 1 198 . 1 . 1 45 45 ARG N N 15 121.270 . . 1 . . . . . 134 R N . 50099 1 199 . 1 . 1 46 46 GLY H H 1 8.330 . . 1 . . . . . 135 G HN . 50099 1 200 . 1 . 1 46 46 GLY C C 13 173.950 . . 1 . . . . . 135 G CO . 50099 1 201 . 1 . 1 46 46 GLY CA C 13 45.330 . . 1 . . . . . 135 G CA . 50099 1 202 . 1 . 1 46 46 GLY N N 15 109.570 . . 1 . . . . . 135 G N . 50099 1 203 . 1 . 1 47 47 TRP H H 1 8.020 . . 1 . . . . . 136 W HN . 50099 1 204 . 1 . 1 47 47 TRP C C 13 176.430 . . 1 . . . . . 136 W CO . 50099 1 205 . 1 . 1 47 47 TRP CA C 13 57.600 . . 1 . . . . . 136 W CA . 50099 1 206 . 1 . 1 47 47 TRP CB C 13 29.750 . . 1 . . . . . 136 W CB . 50099 1 207 . 1 . 1 47 47 TRP N N 15 120.890 . . 1 . . . . . 136 W N . 50099 1 208 . 1 . 1 48 48 SER H H 1 8.060 . . 1 . . . . . 137 S HN . 50099 1 209 . 1 . 1 48 48 SER C C 13 173.790 . . 1 . . . . . 137 S CO . 50099 1 210 . 1 . 1 48 48 SER CA C 13 58.390 . . 1 . . . . . 137 S CA . 50099 1 211 . 1 . 1 48 48 SER CB C 13 64.030 . . 1 . . . . . 137 S CB . 50099 1 212 . 1 . 1 48 48 SER N N 15 116.990 . . 1 . . . . . 137 S N . 50099 1 213 . 1 . 1 49 49 ASP H H 1 8.110 . . 1 . . . . . 138 D HN . 50099 1 214 . 1 . 1 49 49 ASP C C 13 176.130 . . 1 . . . . . 138 D CO . 50099 1 215 . 1 . 1 49 49 ASP CA C 13 54.390 . . 1 . . . . . 138 D CA . 50099 1 216 . 1 . 1 49 49 ASP CB C 13 41.180 . . 1 . . . . . 138 D CB . 50099 1 217 . 1 . 1 49 49 ASP N N 15 121.770 . . 1 . . . . . 138 D N . 50099 1 218 . 1 . 1 50 50 TYR H H 1 8.100 . . 1 . . . . . 139 Y HN . 50099 1 219 . 1 . 1 50 50 TYR C C 13 176.310 . . 1 . . . . . 139 Y CO . 50099 1 220 . 1 . 1 50 50 TYR CA C 13 58.420 . . 1 . . . . . 139 Y CA . 50099 1 221 . 1 . 1 50 50 TYR CB C 13 38.600 . . 1 . . . . . 139 Y CB . 50099 1 222 . 1 . 1 50 50 TYR N N 15 120.540 . . 1 . . . . . 139 Y N . 50099 1 223 . 1 . 1 51 51 THR H H 1 8.030 . . 1 . . . . . 140 T HN . 50099 1 224 . 1 . 1 51 51 THR C C 13 174.690 . . 1 . . . . . 140 T CO . 50099 1 225 . 1 . 1 51 51 THR CA C 13 62.090 . . 1 . . . . . 140 T CA . 50099 1 226 . 1 . 1 51 51 THR CB C 13 69.960 . . 1 . . . . . 140 T CB . 50099 1 227 . 1 . 1 51 51 THR N N 15 115.020 . . 1 . . . . . 140 T N . 50099 1 228 . 1 . 1 52 52 SER H H 1 8.200 . . 1 . . . . . 141 S HN . 50099 1 229 . 1 . 1 52 52 SER C C 13 175.130 . . 1 . . . . . 141 S CO . 50099 1 230 . 1 . 1 52 52 SER CA C 13 58.790 . . 1 . . . . . 141 S CA . 50099 1 231 . 1 . 1 52 52 SER CB C 13 63.850 . . 1 . . . . . 141 S CB . 50099 1 232 . 1 . 1 52 52 SER N N 15 117.850 . . 1 . . . . . 141 S N . 50099 1 233 . 1 . 1 53 53 GLY H H 1 8.320 . . 1 . . . . . 142 G HN . 50099 1 234 . 1 . 1 53 53 GLY C C 13 174.030 . . 1 . . . . . 142 G CO . 50099 1 235 . 1 . 1 53 53 GLY CA C 13 45.410 . . 1 . . . . . 142 G CA . 50099 1 236 . 1 . 1 53 53 GLY N N 15 110.850 . . 1 . . . . . 142 G N . 50099 1 237 . 1 . 1 54 54 ALA H H 1 8.090 . . 1 . . . . . 143 A HN . 50099 1 238 . 1 . 1 54 54 ALA C C 13 177.640 . . 1 . . . . . 143 A CO . 50099 1 239 . 1 . 1 54 54 ALA CA C 13 52.710 . . 1 . . . . . 143 A CA . 50099 1 240 . 1 . 1 54 54 ALA CB C 13 19.260 . . 1 . . . . . 143 A CB . 50099 1 241 . 1 . 1 54 54 ALA N N 15 123.500 . . 1 . . . . . 143 A N . 50099 1 242 . 1 . 1 55 55 ASN H H 1 8.410 . . 1 . . . . . 144 N HN . 50099 1 243 . 1 . 1 55 55 ASN C C 13 175.100 . . 1 . . . . . 144 N CO . 50099 1 244 . 1 . 1 55 55 ASN CA C 13 53.290 . . 1 . . . . . 144 N CA . 50099 1 245 . 1 . 1 55 55 ASN CB C 13 38.800 . . 1 . . . . . 144 N CB . 50099 1 246 . 1 . 1 55 55 ASN N N 15 117.420 . . 1 . . . . . 144 N N . 50099 1 247 . 1 . 1 56 56 ASN H H 1 8.320 . . 1 . . . . . 145 N HN . 50099 1 248 . 1 . 1 56 56 ASN C C 13 175.700 . . 1 . . . . . 145 N CO . 50099 1 249 . 1 . 1 56 56 ASN CA C 13 53.460 . . 1 . . . . . 145 N CA . 50099 1 250 . 1 . 1 56 56 ASN CB C 13 38.870 . . 1 . . . . . 145 N CB . 50099 1 251 . 1 . 1 56 56 ASN N N 15 118.970 . . 1 . . . . . 145 N N . 50099 1 252 . 1 . 1 57 57 GLY H H 1 8.370 . . 1 . . . . . 146 G HN . 50099 1 253 . 1 . 1 57 57 GLY C C 13 173.990 . . 1 . . . . . 146 G CO . 50099 1 254 . 1 . 1 57 57 GLY CA C 13 45.590 . . 1 . . . . . 146 G CA . 50099 1 255 . 1 . 1 57 57 GLY N N 15 108.700 . . 1 . . . . . 146 G N . 50099 1 256 . 1 . 1 58 58 ASN H H 1 8.250 . . 1 . . . . . 147 N HN . 50099 1 257 . 1 . 1 58 58 ASN C C 13 175.220 . . 1 . . . . . 147 N CO . 50099 1 258 . 1 . 1 58 58 ASN CA C 13 53.290 . . 1 . . . . . 147 N CA . 50099 1 259 . 1 . 1 58 58 ASN CB C 13 38.930 . . 1 . . . . . 147 N CB . 50099 1 260 . 1 . 1 58 58 ASN N N 15 118.710 . . 1 . . . . . 147 N N . 50099 1 261 . 1 . 1 59 59 VAL H H 1 8.050 . . 1 . . . . . 148 V HN . 50099 1 262 . 1 . 1 59 59 VAL C C 13 175.830 . . 1 . . . . . 148 V CO . 50099 1 263 . 1 . 1 59 59 VAL CA C 13 62.440 . . 1 . . . . . 148 V CA . 50099 1 264 . 1 . 1 59 59 VAL CB C 13 32.760 . . 1 . . . . . 148 V CB . 50099 1 265 . 1 . 1 59 59 VAL N N 15 120.160 . . 1 . . . . . 148 V N . 50099 1 266 . 1 . 1 60 60 CYS H H 1 8.440 . . 1 . . . . . 149 C HN . 50099 1 267 . 1 . 1 60 60 CYS C C 13 174.340 . . 1 . . . . . 149 C CO . 50099 1 268 . 1 . 1 60 60 CYS CA C 13 58.550 . . 1 . . . . . 149 C CA . 50099 1 269 . 1 . 1 60 60 CYS CB C 13 27.880 . . 1 . . . . . 149 C CB . 50099 1 270 . 1 . 1 60 60 CYS N N 15 123.410 . . 1 . . . . . 149 C N . 50099 1 271 . 1 . 1 61 61 LEU H H 1 8.390 . . 1 . . . . . 150 L HN . 50099 1 272 . 1 . 1 61 61 LEU C C 13 177.230 . . 1 . . . . . 150 L CO . 50099 1 273 . 1 . 1 61 61 LEU CA C 13 55.260 . . 1 . . . . . 150 L CA . 50099 1 274 . 1 . 1 61 61 LEU CB C 13 42.450 . . 1 . . . . . 150 L CB . 50099 1 275 . 1 . 1 61 61 LEU N N 15 125.580 . . 1 . . . . . 150 L N . 50099 1 276 . 1 . 1 62 62 VAL H H 1 8.110 . . 1 . . . . . 151 V HN . 50099 1 277 . 1 . 1 62 62 VAL C C 13 176.090 . . 1 . . . . . 151 V CO . 50099 1 278 . 1 . 1 62 62 VAL CA C 13 62.320 . . 1 . . . . . 151 V CA . 50099 1 279 . 1 . 1 62 62 VAL CB C 13 32.810 . . 1 . . . . . 151 V CB . 50099 1 280 . 1 . 1 62 62 VAL N N 15 121.030 . . 1 . . . . . 151 V N . 50099 1 281 . 1 . 1 63 63 SER H H 1 8.330 . . 1 . . . . . 152 S HN . 50099 1 282 . 1 . 1 63 63 SER C C 13 174.320 . . 1 . . . . . 152 S CO . 50099 1 283 . 1 . 1 63 63 SER CA C 13 58.370 . . 1 . . . . . 152 S CA . 50099 1 284 . 1 . 1 63 63 SER CB C 13 63.970 . . 1 . . . . . 152 S CB . 50099 1 285 . 1 . 1 63 63 SER N N 15 119.250 . . 1 . . . . . 152 S N . 50099 1 286 . 1 . 1 64 64 ASP H H 1 8.270 . . 1 . . . . . 153 D HN . 50099 1 287 . 1 . 1 64 64 ASP C C 13 176.260 . . 1 . . . . . 153 D CO . 50099 1 288 . 1 . 1 64 64 ASP CA C 13 54.440 . . 1 . . . . . 153 D CA . 50099 1 289 . 1 . 1 64 64 ASP CB C 13 41.270 . . 1 . . . . . 153 D CB . 50099 1 290 . 1 . 1 64 64 ASP N N 15 122.790 . . 1 . . . . . 153 D N . 50099 1 291 . 1 . 1 65 65 ALA H H 1 8.220 . . 1 . . . . . 154 A HN . 50099 1 292 . 1 . 1 65 65 ALA C C 13 178.240 . . 1 . . . . . 154 A CO . 50099 1 293 . 1 . 1 65 65 ALA CA C 13 53.260 . . 1 . . . . . 154 A CA . 50099 1 294 . 1 . 1 65 65 ALA CB C 13 19.040 . . 1 . . . . . 154 A CB . 50099 1 295 . 1 . 1 65 65 ALA N N 15 124.350 . . 1 . . . . . 154 A N . 50099 1 296 . 1 . 1 66 66 LYS H H 1 8.230 . . 1 . . . . . 155 K HN . 50099 1 297 . 1 . 1 66 66 LYS C C 13 176.960 . . 1 . . . . . 155 K CO . 50099 1 298 . 1 . 1 66 66 LYS CA C 13 56.780 . . 1 . . . . . 155 K CA . 50099 1 299 . 1 . 1 66 66 LYS CB C 13 32.590 . . 1 . . . . . 155 K CB . 50099 1 300 . 1 . 1 66 66 LYS N N 15 119.380 . . 1 . . . . . 155 K N . 50099 1 301 . 1 . 1 67 67 MET H H 1 8.140 . . 1 . . . . . 156 M HN . 50099 1 302 . 1 . 1 67 67 MET C C 13 176.320 . . 1 . . . . . 156 M CO . 50099 1 303 . 1 . 1 67 67 MET CA C 13 55.670 . . 1 . . . . . 156 M CA . 50099 1 304 . 1 . 1 67 67 MET CB C 13 32.650 . . 1 . . . . . 156 M CB . 50099 1 305 . 1 . 1 67 67 MET N N 15 120.210 . . 1 . . . . . 156 M N . 50099 1 306 . 1 . 1 68 68 LEU H H 1 8.110 . . 1 . . . . . 157 L HN . 50099 1 307 . 1 . 1 68 68 LEU C C 13 177.230 . . 1 . . . . . 157 L CO . 50099 1 308 . 1 . 1 68 68 LEU CA C 13 55.360 . . 1 . . . . . 157 L CA . 50099 1 309 . 1 . 1 68 68 LEU CB C 13 42.350 . . 1 . . . . . 157 L CB . 50099 1 310 . 1 . 1 68 68 LEU N N 15 122.770 . . 1 . . . . . 157 L N . 50099 1 311 . 1 . 1 69 69 SER H H 1 8.090 . . 1 . . . . . 158 S HN . 50099 1 312 . 1 . 1 69 69 SER C C 13 173.810 . . 1 . . . . . 158 S CO . 50099 1 313 . 1 . 1 69 69 SER CA C 13 58.210 . . 1 . . . . . 158 S CA . 50099 1 314 . 1 . 1 69 69 SER CB C 13 63.930 . . 1 . . . . . 158 S CB . 50099 1 315 . 1 . 1 69 69 SER N N 15 115.710 . . 1 . . . . . 158 S N . 50099 1 316 . 1 . 1 70 70 TYR H H 1 8.030 . . 1 . . . . . 159 Y HN . 50099 1 317 . 1 . 1 70 70 TYR C C 13 174.790 . . 1 . . . . . 159 Y CO . 50099 1 318 . 1 . 1 70 70 TYR CA C 13 57.560 . . 1 . . . . . 159 Y CA . 50099 1 319 . 1 . 1 70 70 TYR CB C 13 39.050 . . 1 . . . . . 159 Y CB . 50099 1 320 . 1 . 1 70 70 TYR N N 15 121.990 . . 1 . . . . . 159 Y N . 50099 1 321 . 1 . 1 71 71 ALA H H 1 8.100 . . 1 . . . . . 160 A HN . 50099 1 322 . 1 . 1 71 71 ALA C C 13 174.850 . . 1 . . . . . 160 A CO . 50099 1 323 . 1 . 1 71 71 ALA CA C 13 50.240 . . 1 . . . . . 160 A CA . 50099 1 324 . 1 . 1 71 71 ALA CB C 13 18.550 . . 1 . . . . . 160 A CB . 50099 1 325 . 1 . 1 71 71 ALA N N 15 127.440 . . 1 . . . . . 160 A N . 50099 1 326 . 1 . 1 72 72 PRO C C 13 176.910 . . 1 . . . . . 161 P CO . 50099 1 327 . 1 . 1 72 72 PRO CA C 13 63.150 . . 1 . . . . . 161 P CA . 50099 1 328 . 1 . 1 72 72 PRO CB C 13 32.030 . . 1 . . . . . 161 P CB . 50099 1 329 . 1 . 1 73 73 GLU H H 1 8.530 . . 1 . . . . . 162 E HN . 50099 1 330 . 1 . 1 73 73 GLU C C 13 176.500 . . 1 . . . . . 162 E CO . 50099 1 331 . 1 . 1 73 73 GLU CA C 13 56.780 . . 1 . . . . . 162 E CA . 50099 1 332 . 1 . 1 73 73 GLU CB C 13 30.060 . . 1 . . . . . 162 E CB . 50099 1 333 . 1 . 1 73 73 GLU N N 15 120.680 . . 1 . . . . . 162 E N . 50099 1 334 . 1 . 1 74 74 ILE H H 1 8.070 . . 1 . . . . . 163 I HN . 50099 1 335 . 1 . 1 74 74 ILE C C 13 175.770 . . 1 . . . . . 163 I CO . 50099 1 336 . 1 . 1 74 74 ILE CA C 13 60.920 . . 1 . . . . . 163 I CA . 50099 1 337 . 1 . 1 74 74 ILE CB C 13 38.750 . . 1 . . . . . 163 I CB . 50099 1 338 . 1 . 1 74 74 ILE N N 15 121.970 . . 1 . . . . . 163 I N . 50099 1 339 . 1 . 1 75 75 ALA H H 1 8.320 . . 1 . . . . . 164 A HN . 50099 1 340 . 1 . 1 75 75 ALA C C 13 177.460 . . 1 . . . . . 164 A CO . 50099 1 341 . 1 . 1 75 75 ALA CA C 13 52.400 . . 1 . . . . . 164 A CA . 50099 1 342 . 1 . 1 75 75 ALA CB C 13 19.340 . . 1 . . . . . 164 A CB . 50099 1 343 . 1 . 1 75 75 ALA N N 15 128.420 . . 1 . . . . . 164 A N . 50099 1 344 . 1 . 1 76 76 VAL H H 1 8.090 . . 1 . . . . . 165 V HN . 50099 1 345 . 1 . 1 76 76 VAL C C 13 176.220 . . 1 . . . . . 165 V CO . 50099 1 346 . 1 . 1 76 76 VAL CA C 13 62.180 . . 1 . . . . . 165 V CA . 50099 1 347 . 1 . 1 76 76 VAL CB C 13 32.980 . . 1 . . . . . 165 V CB . 50099 1 348 . 1 . 1 76 76 VAL N N 15 119.870 . . 1 . . . . . 165 V N . 50099 1 349 . 1 . 1 77 77 SER H H 1 8.470 . . 1 . . . . . 166 S HN . 50099 1 350 . 1 . 1 77 77 SER C C 13 174.650 . . 1 . . . . . 166 S CO . 50099 1 351 . 1 . 1 77 77 SER CA C 13 58.100 . . 1 . . . . . 166 S CA . 50099 1 352 . 1 . 1 77 77 SER CB C 13 64.050 . . 1 . . . . . 166 S CB . 50099 1 353 . 1 . 1 77 77 SER N N 15 120.100 . . 1 . . . . . 166 S N . 50099 1 354 . 1 . 1 78 78 LYS H H 1 8.490 . . 1 . . . . . 167 K HN . 50099 1 355 . 1 . 1 78 78 LYS C C 13 176.730 . . 1 . . . . . 167 K CO . 50099 1 356 . 1 . 1 78 78 LYS CA C 13 56.840 . . 1 . . . . . 167 K CA . 50099 1 357 . 1 . 1 78 78 LYS CB C 13 32.990 . . 1 . . . . . 167 K CB . 50099 1 358 . 1 . 1 78 78 LYS N N 15 123.990 . . 1 . . . . . 167 K N . 50099 1 359 . 1 . 1 79 79 GLU H H 1 8.460 . . 1 . . . . . 168 E HN . 50099 1 360 . 1 . 1 79 79 GLU C C 13 176.350 . . 1 . . . . . 168 E CO . 50099 1 361 . 1 . 1 79 79 GLU CA C 13 56.960 . . 1 . . . . . 168 E CA . 50099 1 362 . 1 . 1 79 79 GLU CB C 13 30.130 . . 1 . . . . . 168 E CB . 50099 1 363 . 1 . 1 79 79 GLU N N 15 121.180 . . 1 . . . . . 168 E N . 50099 1 364 . 1 . 1 80 80 ASP H H 1 8.300 . . 1 . . . . . 169 D HN . 50099 1 365 . 1 . 1 80 80 ASP C C 13 176.290 . . 1 . . . . . 169 D CO . 50099 1 366 . 1 . 1 80 80 ASP CA C 13 54.590 . . 1 . . . . . 169 D CA . 50099 1 367 . 1 . 1 80 80 ASP CB C 13 41.140 . . 1 . . . . . 169 D CB . 50099 1 368 . 1 . 1 80 80 ASP N N 15 121.570 . . 1 . . . . . 169 D N . 50099 1 369 . 1 . 1 81 81 ARG H H 1 8.210 . . 1 . . . . . 170 R HN . 50099 1 370 . 1 . 1 81 81 ARG C C 13 176.620 . . 1 . . . . . 170 R CO . 50099 1 371 . 1 . 1 81 81 ARG CA C 13 56.300 . . 1 . . . . . 170 R CA . 50099 1 372 . 1 . 1 81 81 ARG CB C 13 30.890 . . 1 . . . . . 170 R CB . 50099 1 373 . 1 . 1 81 81 ARG N N 15 120.980 . . 1 . . . . . 170 R N . 50099 1 374 . 1 . 1 82 82 GLU H H 1 8.470 . . 1 . . . . . 171 E HN . 50099 1 375 . 1 . 1 82 82 GLU C C 13 176.940 . . 1 . . . . . 171 E CO . 50099 1 376 . 1 . 1 82 82 GLU CA C 13 57.090 . . 1 . . . . . 171 E CA . 50099 1 377 . 1 . 1 82 82 GLU N N 15 121.420 . . 1 . . . . . 171 E N . 50099 1 378 . 1 . 1 83 83 THR H H 1 8.060 . . 1 . . . . . 172 T HN . 50099 1 379 . 1 . 1 83 83 THR C C 13 174.370 . . 1 . . . . . 172 T CO . 50099 1 380 . 1 . 1 83 83 THR CA C 13 62.320 . . 1 . . . . . 172 T CA . 50099 1 381 . 1 . 1 83 83 THR CB C 13 69.790 . . 1 . . . . . 172 T CB . 50099 1 382 . 1 . 1 83 83 THR N N 15 114.320 . . 1 . . . . . 172 T N . 50099 1 383 . 1 . 1 84 84 ASP H H 1 8.320 . . 1 . . . . . 173 D HN . 50099 1 384 . 1 . 1 84 84 ASP C C 13 176.260 . . 1 . . . . . 173 D CO . 50099 1 385 . 1 . 1 84 84 ASP CA C 13 54.560 . . 1 . . . . . 173 D CA . 50099 1 386 . 1 . 1 84 84 ASP CB C 13 41.060 . . 1 . . . . . 173 D CB . 50099 1 387 . 1 . 1 84 84 ASP N N 15 122.620 . . 1 . . . . . 173 D N . 50099 1 388 . 1 . 1 85 85 LEU H H 1 8.100 . . 1 . . . . . 174 L HN . 50099 1 389 . 1 . 1 85 85 LEU C C 13 177.620 . . 1 . . . . . 174 L CO . 50099 1 390 . 1 . 1 85 85 LEU CA C 13 55.740 . . 1 . . . . . 174 L CA . 50099 1 391 . 1 . 1 85 85 LEU CB C 13 42.260 . . 1 . . . . . 174 L CB . 50099 1 392 . 1 . 1 85 85 LEU N N 15 121.960 . . 1 . . . . . 174 L N . 50099 1 393 . 1 . 1 86 86 VAL H H 1 7.930 . . 1 . . . . . 175 V HN . 50099 1 394 . 1 . 1 86 86 VAL C C 13 176.190 . . 1 . . . . . 175 V CO . 50099 1 395 . 1 . 1 86 86 VAL CA C 13 63.020 . . 1 . . . . . 175 V CA . 50099 1 396 . 1 . 1 86 86 VAL CB C 13 32.530 . . 1 . . . . . 175 V CB . 50099 1 397 . 1 . 1 86 86 VAL N N 15 119.790 . . 1 . . . . . 175 V N . 50099 1 398 . 1 . 1 87 87 HIS H H 1 8.390 . . 1 . . . . . 176 H HN . 50099 1 399 . 1 . 1 87 87 HIS C C 13 174.730 . . 1 . . . . . 176 H CO . 50099 1 400 . 1 . 1 87 87 HIS CA C 13 55.710 . . 1 . . . . . 176 H CA . 50099 1 401 . 1 . 1 87 87 HIS CB C 13 29.060 . . 1 . . . . . 176 H CB . 50099 1 402 . 1 . 1 87 87 HIS N N 15 121.610 . . 1 . . . . . 176 H N . 50099 1 403 . 1 . 1 88 88 LEU H H 1 8.210 . . 1 . . . . . 177 L HN . 50099 1 404 . 1 . 1 88 88 LEU C C 13 177.390 . . 1 . . . . . 177 L CO . 50099 1 405 . 1 . 1 88 88 LEU CA C 13 55.520 . . 1 . . . . . 177 L CA . 50099 1 406 . 1 . 1 88 88 LEU CB C 13 42.480 . . 1 . . . . . 177 L CB . 50099 1 407 . 1 . 1 88 88 LEU N N 15 123.720 . . 1 . . . . . 177 L N . 50099 1 408 . 1 . 1 89 89 GLU H H 1 8.510 . . 1 . . . . . 178 E HN . 50099 1 409 . 1 . 1 89 89 GLU C C 13 176.350 . . 1 . . . . . 178 E CO . 50099 1 410 . 1 . 1 89 89 GLU CA C 13 56.920 . . 1 . . . . . 178 E CA . 50099 1 411 . 1 . 1 89 89 GLU CB C 13 30.090 . . 1 . . . . . 178 E CB . 50099 1 412 . 1 . 1 89 89 GLU N N 15 121.280 . . 1 . . . . . 178 E N . 50099 1 413 . 1 . 1 90 90 ASN H H 1 8.390 . . 1 . . . . . 179 N HN . 50099 1 414 . 1 . 1 90 90 ASN C C 13 175.290 . . 1 . . . . . 179 N CO . 50099 1 415 . 1 . 1 90 90 ASN CA C 13 53.360 . . 1 . . . . . 179 N CA . 50099 1 416 . 1 . 1 90 90 ASN CB C 13 38.840 . . 1 . . . . . 179 N CB . 50099 1 417 . 1 . 1 90 90 ASN N N 15 119.710 . . 1 . . . . . 179 N N . 50099 1 418 . 1 . 1 91 91 LYS H H 1 8.270 . . 1 . . . . . 180 K HN . 50099 1 419 . 1 . 1 91 91 LYS C C 13 176.660 . . 1 . . . . . 180 K CO . 50099 1 420 . 1 . 1 91 91 LYS CA C 13 56.650 . . 1 . . . . . 180 K CA . 50099 1 421 . 1 . 1 91 91 LYS CB C 13 32.890 . . 1 . . . . . 180 K CB . 50099 1 422 . 1 . 1 91 91 LYS N N 15 121.800 . . 1 . . . . . 180 K N . 50099 1 423 . 1 . 1 92 92 LEU H H 1 8.240 . . 1 . . . . . 181 L HN . 50099 1 424 . 1 . 1 92 92 LEU C C 13 177.620 . . 1 . . . . . 181 L CO . 50099 1 425 . 1 . 1 92 92 LEU CA C 13 55.330 . . 1 . . . . . 181 L CA . 50099 1 426 . 1 . 1 92 92 LEU CB C 13 42.330 . . 1 . . . . . 181 L CB . 50099 1 427 . 1 . 1 92 92 LEU N N 15 122.500 . . 1 . . . . . 181 L N . 50099 1 428 . 1 . 1 93 93 SER H H 1 8.280 . . 1 . . . . . 182 S HN . 50099 1 429 . 1 . 1 93 93 SER C C 13 175.100 . . 1 . . . . . 182 S CO . 50099 1 430 . 1 . 1 93 93 SER CA C 13 58.390 . . 1 . . . . . 182 S CA . 50099 1 431 . 1 . 1 93 93 SER CB C 13 63.850 . . 1 . . . . . 182 S CB . 50099 1 432 . 1 . 1 93 93 SER N N 15 116.320 . . 1 . . . . . 182 S N . 50099 1 433 . 1 . 1 94 94 THR H H 1 8.220 . . 1 . . . . . 183 T HN . 50099 1 434 . 1 . 1 94 94 THR C C 13 175.090 . . 1 . . . . . 183 T CO . 50099 1 435 . 1 . 1 94 94 THR CA C 13 61.930 . . 1 . . . . . 183 T CA . 50099 1 436 . 1 . 1 94 94 THR CB C 13 69.640 . . 1 . . . . . 183 T CB . 50099 1 437 . 1 . 1 94 94 THR N N 15 115.360 . . 1 . . . . . 183 T N . 50099 1 438 . 1 . 1 95 95 THR H H 1 8.090 . . 1 . . . . . 184 T HN . 50099 1 439 . 1 . 1 95 95 THR C C 13 175.150 . . 1 . . . . . 184 T CO . 50099 1 440 . 1 . 1 95 95 THR CA C 13 62.280 . . 1 . . . . . 184 T CA . 50099 1 441 . 1 . 1 95 95 THR CB C 13 69.790 . . 1 . . . . . 184 T CB . 50099 1 442 . 1 . 1 95 95 THR N N 15 115.430 . . 1 . . . . . 184 T N . 50099 1 443 . 1 . 1 96 96 GLY H H 1 8.370 . . 1 . . . . . 185 G HN . 50099 1 444 . 1 . 1 96 96 GLY C C 13 173.870 . . 1 . . . . . 185 G CO . 50099 1 445 . 1 . 1 96 96 GLY CA C 13 45.350 . . 1 . . . . . 185 G CA . 50099 1 446 . 1 . 1 96 96 GLY N N 15 111.130 . . 1 . . . . . 185 G N . 50099 1 447 . 1 . 1 97 97 LEU H H 1 8.030 . . 1 . . . . . 186 L HN . 50099 1 448 . 1 . 1 97 97 LEU C C 13 176.850 . . 1 . . . . . 186 L CO . 50099 1 449 . 1 . 1 97 97 LEU CA C 13 54.990 . . 1 . . . . . 186 L CA . 50099 1 450 . 1 . 1 97 97 LEU CB C 13 42.580 . . 1 . . . . . 186 L CB . 50099 1 451 . 1 . 1 97 97 LEU N N 15 121.210 . . 1 . . . . . 186 L N . 50099 1 452 . 1 . 1 98 98 ASN H H 1 8.480 . . 1 . . . . . 187 N HN . 50099 1 453 . 1 . 1 98 98 ASN C C 13 173.580 . . 1 . . . . . 187 N CO . 50099 1 454 . 1 . 1 98 98 ASN CA C 13 51.350 . . 1 . . . . . 187 N CA . 50099 1 455 . 1 . 1 98 98 ASN CB C 13 38.880 . . 1 . . . . . 187 N CB . 50099 1 456 . 1 . 1 98 98 ASN N N 15 120.510 . . 1 . . . . . 187 N N . 50099 1 457 . 1 . 1 99 99 PRO C C 13 177.570 . . 1 . . . . . 188 P CO . 50099 1 458 . 1 . 1 99 99 PRO CA C 13 63.950 . . 1 . . . . . 188 P CA . 50099 1 459 . 1 . 1 99 99 PRO CB C 13 32.140 . . 1 . . . . . 188 P CB . 50099 1 460 . 1 . 1 100 100 THR H H 1 8.140 . . 1 . . . . . 189 T HN . 50099 1 461 . 1 . 1 100 100 THR C C 13 174.750 . . 1 . . . . . 189 T CO . 50099 1 462 . 1 . 1 100 100 THR CA C 13 62.520 . . 1 . . . . . 189 T CA . 50099 1 463 . 1 . 1 100 100 THR CB C 13 69.620 . . 1 . . . . . 189 T CB . 50099 1 464 . 1 . 1 100 100 THR N N 15 113.240 . . 1 . . . . . 189 T N . 50099 1 465 . 1 . 1 101 101 ALA H H 1 8.080 . . 1 . . . . . 190 A HN . 50099 1 466 . 1 . 1 101 101 ALA C C 13 177.830 . . 1 . . . . . 190 A CO . 50099 1 467 . 1 . 1 101 101 ALA CA C 13 52.870 . . 1 . . . . . 190 A CA . 50099 1 468 . 1 . 1 101 101 ALA CB C 13 19.160 . . 1 . . . . . 190 A CB . 50099 1 469 . 1 . 1 101 101 ALA N N 15 125.720 . . 1 . . . . . 190 A N . 50099 1 stop_ save_