data_19416 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19416 _Entry.Title ; NMR Structure of Rrp7 C-terminal Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-08 _Entry.Accession_date 2013-08-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jinzhong Lin . . . 19416 2 Yingang Feng . . . 19416 3 Keqiong Ye . . . 19416 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19416 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Helix . 19416 Rrp7 . 19416 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19416 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 218 19416 '15N chemical shifts' 49 19416 '1H chemical shifts' 350 19416 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 . . 2014-02-03 2013-08-08 update BMRB 'update entry citation' 19416 1 . . 2013-09-23 2013-08-08 original author 'original release' 19416 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4M5D 'Crystal Structure of Rrp7 N-terminal Domain' 19416 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19416 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24130456 _Citation.Full_citation . _Citation.Title 'An RNA-binding complex involved in ribosome biogenesis contains a protein with homology to tRNA CCA-adding enzyme.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Biol.' _Citation.Journal_name_full 'PLoS biology' _Citation.Journal_volume 11 _Citation.Journal_issue 10 _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 . _Citation.Page_last . _Citation.Year 2013 _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.Entry_ID _Citation_author.Citation_ID 1 Jinzhong Lin . . . 19416 1 2 Jing Lu . . . 19416 1 3 Yingang Feng . . . 19416 1 4 Mengyi Sun . . . 19416 1 5 Keqiong Ye . . . 19416 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19416 _Assembly.ID 1 _Assembly.Name 'Rrp7 C-terminal Domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Rrp7 C-terminal Domain' 1 $entity A . yes native no no . . . 19416 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19416 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPEADFYRFQVRERKKQEIN QLLSKFKEDQERIKVMKAKR KFNPYT ; _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 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5732.697 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB NP_009899 . Rrp7 . . . . . . . . . . . . . . 19416 1 2 no PDB 2MBY . "Nmr Structure Of Rrp7 C-terminal Domain" . . . . . 100.00 46 100.00 100.00 4.10e-23 . . . . 19416 1 3 no PDB 4M5D . "Crystal Structure Of The Utp22 And Rrp7 Complex From Saccharomyces Cerevisiae" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 4 no DBJ GAA21887 . "K7_Rrp7p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 5 no EMBL CAA42385 . "hypothetical protein [Saccharomyces cerevisiae]" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 6 no EMBL CAY78174 . "Rrp7p [Saccharomyces cerevisiae EC1118]" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 7 no GB AHN96030 . "RRP7 [synthetic construct]" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 8 no GB AHV79235 . "RRP7 [synthetic construct]" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 9 no GB AHY79656 . "Rrp7p [Saccharomyces cerevisiae YJM993]" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 10 no GB AJP37407 . "Rrp7p [Saccharomyces cerevisiae YJM1078]" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 11 no GB AJQ31893 . "Rrp7p [Saccharomyces cerevisiae YJM1356]" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 12 no REF NP_009899 . "Rrp7p [Saccharomyces cerevisiae S288c]" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 13 no SP P25368 . "RecName: Full=Ribosomal RNA-processing protein 7" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 14 no TPG DAA07453 . "TPA: Rrp7p [Saccharomyces cerevisiae S288c]" . . . . . 91.30 297 100.00 100.00 1.05e-18 . . . . 19416 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 252 GLY . 19416 1 2 253 PRO . 19416 1 3 254 GLU . 19416 1 4 255 ALA . 19416 1 5 256 ASP . 19416 1 6 257 PHE . 19416 1 7 258 TYR . 19416 1 8 259 ARG . 19416 1 9 260 PHE . 19416 1 10 261 GLN . 19416 1 11 262 VAL . 19416 1 12 263 ARG . 19416 1 13 264 GLU . 19416 1 14 265 ARG . 19416 1 15 266 LYS . 19416 1 16 267 LYS . 19416 1 17 268 GLN . 19416 1 18 269 GLU . 19416 1 19 270 ILE . 19416 1 20 271 ASN . 19416 1 21 272 GLN . 19416 1 22 273 LEU . 19416 1 23 274 LEU . 19416 1 24 275 SER . 19416 1 25 276 LYS . 19416 1 26 277 PHE . 19416 1 27 278 LYS . 19416 1 28 279 GLU . 19416 1 29 280 ASP . 19416 1 30 281 GLN . 19416 1 31 282 GLU . 19416 1 32 283 ARG . 19416 1 33 284 ILE . 19416 1 34 285 LYS . 19416 1 35 286 VAL . 19416 1 36 287 MET . 19416 1 37 288 LYS . 19416 1 38 289 ALA . 19416 1 39 290 LYS . 19416 1 40 291 ARG . 19416 1 41 292 LYS . 19416 1 42 293 PHE . 19416 1 43 294 ASN . 19416 1 44 295 PRO . 19416 1 45 296 TYR . 19416 1 46 297 THR . 19416 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19416 1 . PRO 2 2 19416 1 . GLU 3 3 19416 1 . ALA 4 4 19416 1 . ASP 5 5 19416 1 . PHE 6 6 19416 1 . TYR 7 7 19416 1 . ARG 8 8 19416 1 . PHE 9 9 19416 1 . GLN 10 10 19416 1 . VAL 11 11 19416 1 . ARG 12 12 19416 1 . GLU 13 13 19416 1 . ARG 14 14 19416 1 . LYS 15 15 19416 1 . LYS 16 16 19416 1 . GLN 17 17 19416 1 . GLU 18 18 19416 1 . ILE 19 19 19416 1 . ASN 20 20 19416 1 . GLN 21 21 19416 1 . LEU 22 22 19416 1 . LEU 23 23 19416 1 . SER 24 24 19416 1 . LYS 25 25 19416 1 . PHE 26 26 19416 1 . LYS 27 27 19416 1 . GLU 28 28 19416 1 . ASP 29 29 19416 1 . GLN 30 30 19416 1 . GLU 31 31 19416 1 . ARG 32 32 19416 1 . ILE 33 33 19416 1 . LYS 34 34 19416 1 . VAL 35 35 19416 1 . MET 36 36 19416 1 . LYS 37 37 19416 1 . ALA 38 38 19416 1 . LYS 39 39 19416 1 . ARG 40 40 19416 1 . LYS 41 41 19416 1 . PHE 42 42 19416 1 . ASN 43 43 19416 1 . PRO 44 44 19416 1 . TYR 45 45 19416 1 . THR 46 46 19416 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19416 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 19416 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19416 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PETDuet . . . . . . 19416 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19416 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 19416 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19416 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 19416 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 19416 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 19416 1 pH 6 . pH 19416 1 pressure 1 . atm 19416 1 temperature 298 . K 19416 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19416 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19416 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19416 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19416 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19416 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19416 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19416 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19416 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19416 3 'peak picking' 19416 3 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 19416 _Software.ID 4 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 19416 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19416 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19416 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19416 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 19416 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19416 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19416 1 2 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19416 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19416 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19416 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19416 1 6 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19416 1 7 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19416 1 8 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19416 1 9 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19416 1 10 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19416 1 11 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19416 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19416 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19416 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19416 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19416 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19416 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19416 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19416 1 2 '3D 1H-15N TOCSY' . . . 19416 1 3 '3D CBCA(CO)NH' . . . 19416 1 4 '3D HNCACB' . . . 19416 1 5 '3D HNCO' . . . 19416 1 6 '3D HN(CO)CA' . . . 19416 1 7 '3D HBHA(CO)NH' . . . 19416 1 9 '3D HCCH-TOCSY' . . . 19416 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.4140 0.02 . 1 . . . A 253 PRO HA . 19416 1 2 . 1 1 2 2 PRO HB2 H 1 2.2940 0.02 . 2 . . . A 253 PRO HB2 . 19416 1 3 . 1 1 2 2 PRO HB3 H 1 1.9550 0.02 . 2 . . . A 253 PRO HB3 . 19416 1 4 . 1 1 2 2 PRO HG2 H 1 2.0210 0.02 . 2 . . . A 253 PRO HG2 . 19416 1 5 . 1 1 2 2 PRO HG3 H 1 2.0210 0.02 . 2 . . . A 253 PRO HG3 . 19416 1 6 . 1 1 2 2 PRO HD2 H 1 3.5670 0.02 . 2 . . . A 253 PRO HD2 . 19416 1 7 . 1 1 2 2 PRO HD3 H 1 3.6540 0.02 . 2 . . . A 253 PRO HD3 . 19416 1 8 . 1 1 2 2 PRO C C 13 176.3100 0.3 . 1 . . . A 253 PRO C . 19416 1 9 . 1 1 2 2 PRO CA C 13 63.8100 0.3 . 1 . . . A 253 PRO CA . 19416 1 10 . 1 1 2 2 PRO CB C 13 31.9900 0.3 . 1 . . . A 253 PRO CB . 19416 1 11 . 1 1 2 2 PRO CG C 13 27.1200 0.3 . 1 . . . A 253 PRO CG . 19416 1 12 . 1 1 2 2 PRO CD C 13 49.8200 0.3 . 1 . . . A 253 PRO CD . 19416 1 13 . 1 1 3 3 GLU H H 1 8.8860 0.02 . 1 . . . A 254 GLU H . 19416 1 14 . 1 1 3 3 GLU HA H 1 4.1680 0.02 . 1 . . . A 254 GLU HA . 19416 1 15 . 1 1 3 3 GLU HB2 H 1 1.9800 0.02 . 2 . . . A 254 GLU HB2 . 19416 1 16 . 1 1 3 3 GLU HB3 H 1 2.0700 0.02 . 2 . . . A 254 GLU HB3 . 19416 1 17 . 1 1 3 3 GLU HG2 H 1 2.2800 0.02 . 2 . . . A 254 GLU HG2 . 19416 1 18 . 1 1 3 3 GLU HG3 H 1 2.3400 0.02 . 2 . . . A 254 GLU HG3 . 19416 1 19 . 1 1 3 3 GLU C C 13 176.6800 0.3 . 1 . . . A 254 GLU C . 19416 1 20 . 1 1 3 3 GLU CA C 13 57.6400 0.3 . 1 . . . A 254 GLU CA . 19416 1 21 . 1 1 3 3 GLU CB C 13 29.1900 0.3 . 1 . . . A 254 GLU CB . 19416 1 22 . 1 1 3 3 GLU CG C 13 36.3100 0.3 . 1 . . . A 254 GLU CG . 19416 1 23 . 1 1 3 3 GLU N N 15 120.7800 0.2 . 1 . . . A 254 GLU N . 19416 1 24 . 1 1 4 4 ALA H H 1 8.2040 0.02 . 1 . . . A 255 ALA H . 19416 1 25 . 1 1 4 4 ALA HA H 1 4.2710 0.02 . 1 . . . A 255 ALA HA . 19416 1 26 . 1 1 4 4 ALA HB1 H 1 1.4080 0.02 . 1 . . . A 255 ALA HB1 . 19416 1 27 . 1 1 4 4 ALA HB2 H 1 1.4080 0.02 . 1 . . . A 255 ALA HB2 . 19416 1 28 . 1 1 4 4 ALA HB3 H 1 1.4080 0.02 . 1 . . . A 255 ALA HB3 . 19416 1 29 . 1 1 4 4 ALA C C 13 175.1400 0.3 . 1 . . . A 255 ALA C . 19416 1 30 . 1 1 4 4 ALA CA C 13 53.2233 0.3 . 1 . . . A 255 ALA CA . 19416 1 31 . 1 1 4 4 ALA CB C 13 19.0000 0.3 . 1 . . . A 255 ALA CB . 19416 1 32 . 1 1 4 4 ALA N N 15 124.0250 0.2 . 1 . . . A 255 ALA N . 19416 1 33 . 1 1 5 5 ASP H H 1 8.1230 0.02 . 1 . . . A 256 ASP H . 19416 1 34 . 1 1 5 5 ASP HA H 1 4.4830 0.02 . 1 . . . A 256 ASP HA . 19416 1 35 . 1 1 5 5 ASP HB2 H 1 2.6140 0.02 . 2 . . . A 256 ASP HB2 . 19416 1 36 . 1 1 5 5 ASP HB3 H 1 2.6140 0.02 . 2 . . . A 256 ASP HB3 . 19416 1 37 . 1 1 5 5 ASP C C 13 176.6500 0.3 . 1 . . . A 256 ASP C . 19416 1 38 . 1 1 5 5 ASP CA C 13 55.2323 0.3 . 1 . . . A 256 ASP CA . 19416 1 39 . 1 1 5 5 ASP CB C 13 40.5583 0.3 . 1 . . . A 256 ASP CB . 19416 1 40 . 1 1 5 5 ASP N N 15 119.0900 0.2 . 1 . . . A 256 ASP N . 19416 1 41 . 1 1 6 6 PHE H H 1 8.0700 0.02 . 1 . . . A 257 PHE H . 19416 1 42 . 1 1 6 6 PHE HA H 1 4.3920 0.02 . 1 . . . A 257 PHE HA . 19416 1 43 . 1 1 6 6 PHE HB2 H 1 2.9870 0.02 . 2 . . . A 257 PHE HB2 . 19416 1 44 . 1 1 6 6 PHE HB3 H 1 3.0810 0.02 . 2 . . . A 257 PHE HB3 . 19416 1 45 . 1 1 6 6 PHE HD1 H 1 7.0315 0.02 . 3 . . . A 257 PHE HD1 . 19416 1 46 . 1 1 6 6 PHE HD2 H 1 7.0315 0.02 . 3 . . . A 257 PHE HD2 . 19416 1 47 . 1 1 6 6 PHE HE1 H 1 7.2810 0.02 . 3 . . . A 257 PHE HE1 . 19416 1 48 . 1 1 6 6 PHE HE2 H 1 7.2810 0.02 . 3 . . . A 257 PHE HE2 . 19416 1 49 . 1 1 6 6 PHE C C 13 177.0300 0.3 . 1 . . . A 257 PHE C . 19416 1 50 . 1 1 6 6 PHE CA C 13 59.4500 0.3 . 1 . . . A 257 PHE CA . 19416 1 51 . 1 1 6 6 PHE CB C 13 39.0100 0.3 . 1 . . . A 257 PHE CB . 19416 1 52 . 1 1 6 6 PHE CD1 C 13 131.5600 0.3 . 3 . . . A 257 PHE CD1 . 19416 1 53 . 1 1 6 6 PHE CD2 C 13 131.5600 0.3 . 3 . . . A 257 PHE CD2 . 19416 1 54 . 1 1 6 6 PHE N N 15 120.6500 0.2 . 1 . . . A 257 PHE N . 19416 1 55 . 1 1 7 7 TYR H H 1 7.9610 0.02 . 1 . . . A 258 TYR H . 19416 1 56 . 1 1 7 7 TYR HA H 1 4.3210 0.02 . 1 . . . A 258 TYR HA . 19416 1 57 . 1 1 7 7 TYR HB2 H 1 2.9830 0.02 . 2 . . . A 258 TYR HB2 . 19416 1 58 . 1 1 7 7 TYR HB3 H 1 3.0720 0.02 . 2 . . . A 258 TYR HB3 . 19416 1 59 . 1 1 7 7 TYR HD1 H 1 7.1330 0.02 . 3 . . . A 258 TYR HD1 . 19416 1 60 . 1 1 7 7 TYR HD2 H 1 7.1330 0.02 . 3 . . . A 258 TYR HD2 . 19416 1 61 . 1 1 7 7 TYR HE1 H 1 6.8500 0.02 . 3 . . . A 258 TYR HE1 . 19416 1 62 . 1 1 7 7 TYR HE2 H 1 6.8500 0.02 . 3 . . . A 258 TYR HE2 . 19416 1 63 . 1 1 7 7 TYR C C 13 176.9700 0.3 . 1 . . . A 258 TYR C . 19416 1 64 . 1 1 7 7 TYR CA C 13 59.4900 0.3 . 1 . . . A 258 TYR CA . 19416 1 65 . 1 1 7 7 TYR CB C 13 38.0750 0.3 . 1 . . . A 258 TYR CB . 19416 1 66 . 1 1 7 7 TYR CD1 C 13 133.2100 0.3 . 3 . . . A 258 TYR CD1 . 19416 1 67 . 1 1 7 7 TYR CD2 C 13 133.2100 0.3 . 3 . . . A 258 TYR CD2 . 19416 1 68 . 1 1 7 7 TYR CE1 C 13 118.3500 0.3 . 3 . . . A 258 TYR CE1 . 19416 1 69 . 1 1 7 7 TYR CE2 C 13 118.3500 0.3 . 3 . . . A 258 TYR CE2 . 19416 1 70 . 1 1 7 7 TYR N N 15 119.4600 0.2 . 1 . . . A 258 TYR N . 19416 1 71 . 1 1 8 8 ARG H H 1 7.8790 0.02 . 1 . . . A 259 ARG H . 19416 1 72 . 1 1 8 8 ARG HA H 1 4.0200 0.02 . 1 . . . A 259 ARG HA . 19416 1 73 . 1 1 8 8 ARG HB2 H 1 1.6670 0.02 . 2 . . . A 259 ARG HB2 . 19416 1 74 . 1 1 8 8 ARG HB3 H 1 1.6670 0.02 . 2 . . . A 259 ARG HB3 . 19416 1 75 . 1 1 8 8 ARG HG2 H 1 1.3860 0.02 . 2 . . . A 259 ARG HG2 . 19416 1 76 . 1 1 8 8 ARG HG3 H 1 1.4420 0.02 . 2 . . . A 259 ARG HG3 . 19416 1 77 . 1 1 8 8 ARG HD2 H 1 3.1070 0.02 . 2 . . . A 259 ARG HD2 . 19416 1 78 . 1 1 8 8 ARG HD3 H 1 3.1070 0.02 . 2 . . . A 259 ARG HD3 . 19416 1 79 . 1 1 8 8 ARG C C 13 176.6000 0.3 . 1 . . . A 259 ARG C . 19416 1 80 . 1 1 8 8 ARG CA C 13 57.5700 0.3 . 1 . . . A 259 ARG CA . 19416 1 81 . 1 1 8 8 ARG CB C 13 30.2600 0.3 . 1 . . . A 259 ARG CB . 19416 1 82 . 1 1 8 8 ARG CG C 13 27.2400 0.3 . 1 . . . A 259 ARG CG . 19416 1 83 . 1 1 8 8 ARG CD C 13 43.3700 0.3 . 1 . . . A 259 ARG CD . 19416 1 84 . 1 1 8 8 ARG N N 15 120.1990 0.2 . 1 . . . A 259 ARG N . 19416 1 85 . 1 1 9 9 PHE H H 1 7.9450 0.02 . 1 . . . A 260 PHE H . 19416 1 86 . 1 1 9 9 PHE HA H 1 4.4930 0.02 . 1 . . . A 260 PHE HA . 19416 1 87 . 1 1 9 9 PHE HB2 H 1 3.0430 0.02 . 2 . . . A 260 PHE HB2 . 19416 1 88 . 1 1 9 9 PHE HB3 H 1 3.2000 0.02 . 2 . . . A 260 PHE HB3 . 19416 1 89 . 1 1 9 9 PHE HD1 H 1 7.2190 0.02 . 3 . . . A 260 PHE HD1 . 19416 1 90 . 1 1 9 9 PHE HD2 H 1 7.2000 0.02 . 3 . . . A 260 PHE HD2 . 19416 1 91 . 1 1 9 9 PHE C C 13 177.4300 0.3 . 1 . . . A 260 PHE C . 19416 1 92 . 1 1 9 9 PHE CA C 13 58.6900 0.3 . 1 . . . A 260 PHE CA . 19416 1 93 . 1 1 9 9 PHE CB C 13 38.9600 0.3 . 1 . . . A 260 PHE CB . 19416 1 94 . 1 1 9 9 PHE CD1 C 13 131.5670 0.3 . 3 . . . A 260 PHE CD1 . 19416 1 95 . 1 1 9 9 PHE CD2 C 13 131.5670 0.3 . 3 . . . A 260 PHE CD2 . 19416 1 96 . 1 1 9 9 PHE N N 15 119.4600 0.2 . 1 . . . A 260 PHE N . 19416 1 97 . 1 1 10 10 GLN H H 1 8.0620 0.02 . 1 . . . A 261 GLN H . 19416 1 98 . 1 1 10 10 GLN HA H 1 4.1370 0.02 . 1 . . . A 261 GLN HA . 19416 1 99 . 1 1 10 10 GLN HB2 H 1 1.9820 0.02 . 2 . . . A 261 GLN HB2 . 19416 1 100 . 1 1 10 10 GLN HB3 H 1 1.9820 0.02 . 2 . . . A 261 GLN HB3 . 19416 1 101 . 1 1 10 10 GLN HG2 H 1 2.2400 0.02 . 2 . . . A 261 GLN HG2 . 19416 1 102 . 1 1 10 10 GLN HG3 H 1 2.2400 0.02 . 2 . . . A 261 GLN HG3 . 19416 1 103 . 1 1 10 10 GLN HE21 H 1 7.3520 0.02 . 2 . . . A 261 GLN HE21 . 19416 1 104 . 1 1 10 10 GLN HE22 H 1 6.8610 0.02 . 2 . . . A 261 GLN HE22 . 19416 1 105 . 1 1 10 10 GLN C C 13 176.8600 0.3 . 1 . . . A 261 GLN C . 19416 1 106 . 1 1 10 10 GLN CA C 13 56.9400 0.3 . 1 . . . A 261 GLN CA . 19416 1 107 . 1 1 10 10 GLN CB C 13 29.3400 0.3 . 1 . . . A 261 GLN CB . 19416 1 108 . 1 1 10 10 GLN CG C 13 33.9400 0.3 . 1 . . . A 261 GLN CG . 19416 1 109 . 1 1 10 10 GLN N N 15 120.5300 0.2 . 1 . . . A 261 GLN N . 19416 1 110 . 1 1 10 10 GLN NE2 N 15 112.3600 0.2 . 1 . . . A 261 GLN NE2 . 19416 1 111 . 1 1 11 11 VAL H H 1 8.0470 0.02 . 1 . . . A 262 VAL H . 19416 1 112 . 1 1 11 11 VAL HA H 1 3.8810 0.02 . 1 . . . A 262 VAL HA . 19416 1 113 . 1 1 11 11 VAL HB H 1 2.0320 0.02 . 1 . . . A 262 VAL HB . 19416 1 114 . 1 1 11 11 VAL HG11 H 1 0.9030 0.02 . 2 . . . A 262 VAL HG11 . 19416 1 115 . 1 1 11 11 VAL HG12 H 1 0.9030 0.02 . 2 . . . A 262 VAL HG12 . 19416 1 116 . 1 1 11 11 VAL HG13 H 1 0.9030 0.02 . 2 . . . A 262 VAL HG13 . 19416 1 117 . 1 1 11 11 VAL HG21 H 1 0.9030 0.02 . 2 . . . A 262 VAL HG21 . 19416 1 118 . 1 1 11 11 VAL HG22 H 1 0.9030 0.02 . 2 . . . A 262 VAL HG22 . 19416 1 119 . 1 1 11 11 VAL HG23 H 1 0.9030 0.02 . 2 . . . A 262 VAL HG23 . 19416 1 120 . 1 1 11 11 VAL C C 13 176.7240 0.3 . 1 . . . A 262 VAL C . 19416 1 121 . 1 1 11 11 VAL CA C 13 63.8100 0.3 . 1 . . . A 262 VAL CA . 19416 1 122 . 1 1 11 11 VAL CB C 13 32.1080 0.3 . 1 . . . A 262 VAL CB . 19416 1 123 . 1 1 11 11 VAL CG1 C 13 21.2800 0.3 . 2 . . . A 262 VAL CG1 . 19416 1 124 . 1 1 11 11 VAL CG2 C 13 21.2800 0.3 . 2 . . . A 262 VAL CG2 . 19416 1 125 . 1 1 11 11 VAL N N 15 120.7800 0.2 . 1 . . . A 262 VAL N . 19416 1 126 . 1 1 12 12 ARG H H 1 8.1530 0.02 . 1 . . . A 263 ARG H . 19416 1 127 . 1 1 12 12 ARG HA H 1 4.2080 0.02 . 1 . . . A 263 ARG HA . 19416 1 128 . 1 1 12 12 ARG HB2 H 1 1.8270 0.02 . 2 . . . A 263 ARG HB2 . 19416 1 129 . 1 1 12 12 ARG HB3 H 1 1.8270 0.02 . 2 . . . A 263 ARG HB3 . 19416 1 130 . 1 1 12 12 ARG HG2 H 1 1.6000 0.02 . 2 . . . A 263 ARG HG2 . 19416 1 131 . 1 1 12 12 ARG HG3 H 1 1.6600 0.02 . 2 . . . A 263 ARG HG3 . 19416 1 132 . 1 1 12 12 ARG HD2 H 1 3.1750 0.02 . 2 . . . A 263 ARG HD2 . 19416 1 133 . 1 1 12 12 ARG HD3 H 1 3.1750 0.02 . 2 . . . A 263 ARG HD3 . 19416 1 134 . 1 1 12 12 ARG C C 13 176.4500 0.3 . 1 . . . A 263 ARG C . 19416 1 135 . 1 1 12 12 ARG CA C 13 57.3700 0.3 . 1 . . . A 263 ARG CA . 19416 1 136 . 1 1 12 12 ARG CB C 13 30.7000 0.3 . 1 . . . A 263 ARG CB . 19416 1 137 . 1 1 12 12 ARG CG C 13 27.2300 0.3 . 1 . . . A 263 ARG CG . 19416 1 138 . 1 1 12 12 ARG CD C 13 43.5500 0.3 . 1 . . . A 263 ARG CD . 19416 1 139 . 1 1 12 12 ARG N N 15 123.1800 0.2 . 1 . . . A 263 ARG N . 19416 1 140 . 1 1 13 13 GLU H H 1 8.3210 0.02 . 1 . . . A 264 GLU H . 19416 1 141 . 1 1 13 13 GLU HA H 1 4.1680 0.02 . 1 . . . A 264 GLU HA . 19416 1 142 . 1 1 13 13 GLU HB2 H 1 2.0290 0.02 . 2 . . . A 264 GLU HB2 . 19416 1 143 . 1 1 13 13 GLU HB3 H 1 1.8690 0.02 . 2 . . . A 264 GLU HB3 . 19416 1 144 . 1 1 13 13 GLU HG2 H 1 2.2860 0.02 . 2 . . . A 264 GLU HG2 . 19416 1 145 . 1 1 13 13 GLU HG3 H 1 2.2860 0.02 . 2 . . . A 264 GLU HG3 . 19416 1 146 . 1 1 13 13 GLU C C 13 176.4800 0.3 . 1 . . . A 264 GLU C . 19416 1 147 . 1 1 13 13 GLU CA C 13 57.3500 0.3 . 1 . . . A 264 GLU CA . 19416 1 148 . 1 1 13 13 GLU CB C 13 30.0960 0.3 . 1 . . . A 264 GLU CB . 19416 1 149 . 1 1 13 13 GLU CG C 13 36.2600 0.3 . 1 . . . A 264 GLU CG . 19416 1 150 . 1 1 13 13 GLU N N 15 121.3060 0.2 . 1 . . . A 264 GLU N . 19416 1 151 . 1 1 14 14 ARG H H 1 8.2680 0.02 . 1 . . . A 265 ARG H . 19416 1 152 . 1 1 14 14 ARG HA H 1 4.2380 0.02 . 1 . . . A 265 ARG HA . 19416 1 153 . 1 1 14 14 ARG HB2 H 1 1.8270 0.02 . 2 . . . A 265 ARG HB2 . 19416 1 154 . 1 1 14 14 ARG HB3 H 1 1.8270 0.02 . 2 . . . A 265 ARG HB3 . 19416 1 155 . 1 1 14 14 ARG HG2 H 1 1.6011 0.02 . 2 . . . A 265 ARG HG2 . 19416 1 156 . 1 1 14 14 ARG HG3 H 1 1.6677 0.02 . 2 . . . A 265 ARG HG3 . 19416 1 157 . 1 1 14 14 ARG HD2 H 1 3.1790 0.02 . 2 . . . A 265 ARG HD2 . 19416 1 158 . 1 1 14 14 ARG HD3 H 1 3.1790 0.02 . 2 . . . A 265 ARG HD3 . 19416 1 159 . 1 1 14 14 ARG C C 13 176.4800 0.3 . 1 . . . A 265 ARG C . 19416 1 160 . 1 1 14 14 ARG CA C 13 57.0500 0.3 . 1 . . . A 265 ARG CA . 19416 1 161 . 1 1 14 14 ARG CB C 13 30.3000 0.3 . 1 . . . A 265 ARG CB . 19416 1 162 . 1 1 14 14 ARG CG C 13 27.2300 0.3 . 1 . . . A 265 ARG CG . 19416 1 163 . 1 1 14 14 ARG CD C 13 43.5200 0.3 . 1 . . . A 265 ARG CD . 19416 1 164 . 1 1 14 14 ARG N N 15 122.1580 0.2 . 1 . . . A 265 ARG N . 19416 1 165 . 1 1 15 15 LYS H H 1 8.2790 0.02 . 1 . . . A 266 LYS H . 19416 1 166 . 1 1 15 15 LYS HA H 1 4.2450 0.02 . 1 . . . A 266 LYS HA . 19416 1 167 . 1 1 15 15 LYS HB2 H 1 1.8340 0.02 . 2 . . . A 266 LYS HB2 . 19416 1 168 . 1 1 15 15 LYS HB3 H 1 1.8340 0.02 . 2 . . . A 266 LYS HB3 . 19416 1 169 . 1 1 15 15 LYS HG2 H 1 1.4150 0.02 . 2 . . . A 266 LYS HG2 . 19416 1 170 . 1 1 15 15 LYS HG3 H 1 1.4150 0.02 . 2 . . . A 266 LYS HG3 . 19416 1 171 . 1 1 15 15 LYS HD2 H 1 1.6810 0.02 . 2 . . . A 266 LYS HD2 . 19416 1 172 . 1 1 15 15 LYS HD3 H 1 1.6810 0.02 . 2 . . . A 266 LYS HD3 . 19416 1 173 . 1 1 15 15 LYS HE2 H 1 2.9790 0.02 . 2 . . . A 266 LYS HE2 . 19416 1 174 . 1 1 15 15 LYS HE3 H 1 2.9790 0.02 . 2 . . . A 266 LYS HE3 . 19416 1 175 . 1 1 15 15 LYS C C 13 176.2800 0.3 . 1 . . . A 266 LYS C . 19416 1 176 . 1 1 15 15 LYS CA C 13 57.0600 0.3 . 1 . . . A 266 LYS CA . 19416 1 177 . 1 1 15 15 LYS CB C 13 32.6000 0.3 . 1 . . . A 266 LYS CB . 19416 1 178 . 1 1 15 15 LYS CG C 13 24.9400 0.3 . 1 . . . A 266 LYS CG . 19416 1 179 . 1 1 15 15 LYS CD C 13 29.2100 0.3 . 1 . . . A 266 LYS CD . 19416 1 180 . 1 1 15 15 LYS CE C 13 42.2230 0.3 . 1 . . . A 266 LYS CE . 19416 1 181 . 1 1 15 15 LYS N N 15 121.8340 0.2 . 1 . . . A 266 LYS N . 19416 1 182 . 1 1 16 16 LYS H H 1 8.2180 0.02 . 1 . . . A 267 LYS H . 19416 1 183 . 1 1 16 16 LYS HA H 1 4.1660 0.02 . 1 . . . A 267 LYS HA . 19416 1 184 . 1 1 16 16 LYS HB2 H 1 1.8180 0.02 . 2 . . . A 267 LYS HB2 . 19416 1 185 . 1 1 16 16 LYS HB3 H 1 1.8180 0.02 . 2 . . . A 267 LYS HB3 . 19416 1 186 . 1 1 16 16 LYS HG2 H 1 1.4150 0.02 . 2 . . . A 267 LYS HG2 . 19416 1 187 . 1 1 16 16 LYS HG3 H 1 1.4150 0.02 . 2 . . . A 267 LYS HG3 . 19416 1 188 . 1 1 16 16 LYS HD2 H 1 1.6810 0.02 . 2 . . . A 267 LYS HD2 . 19416 1 189 . 1 1 16 16 LYS HD3 H 1 1.6810 0.02 . 2 . . . A 267 LYS HD3 . 19416 1 190 . 1 1 16 16 LYS HE2 H 1 2.9790 0.02 . 2 . . . A 267 LYS HE2 . 19416 1 191 . 1 1 16 16 LYS HE3 H 1 2.9790 0.02 . 2 . . . A 267 LYS HE3 . 19416 1 192 . 1 1 16 16 LYS C C 13 176.3300 0.3 . 1 . . . A 267 LYS C . 19416 1 193 . 1 1 16 16 LYS CA C 13 57.3000 0.3 . 1 . . . A 267 LYS CA . 19416 1 194 . 1 1 16 16 LYS CB C 13 32.7200 0.3 . 1 . . . A 267 LYS CB . 19416 1 195 . 1 1 16 16 LYS CG C 13 24.9400 0.3 . 1 . . . A 267 LYS CG . 19416 1 196 . 1 1 16 16 LYS CD C 13 29.2100 0.3 . 1 . . . A 267 LYS CD . 19416 1 197 . 1 1 16 16 LYS CE C 13 42.2230 0.3 . 1 . . . A 267 LYS CE . 19416 1 198 . 1 1 16 16 LYS N N 15 121.8880 0.2 . 1 . . . A 267 LYS N . 19416 1 199 . 1 1 17 17 GLN H H 1 8.3000 0.02 . 1 . . . A 268 GLN H . 19416 1 200 . 1 1 17 17 GLN HA H 1 4.2670 0.02 . 1 . . . A 268 GLN HA . 19416 1 201 . 1 1 17 17 GLN HB2 H 1 2.0640 0.02 . 2 . . . A 268 GLN HB2 . 19416 1 202 . 1 1 17 17 GLN HB3 H 1 2.0640 0.02 . 2 . . . A 268 GLN HB3 . 19416 1 203 . 1 1 17 17 GLN HG2 H 1 2.3580 0.02 . 2 . . . A 268 GLN HG2 . 19416 1 204 . 1 1 17 17 GLN HG3 H 1 2.3580 0.02 . 2 . . . A 268 GLN HG3 . 19416 1 205 . 1 1 17 17 GLN HE21 H 1 7.5810 0.02 . 2 . . . A 268 GLN HE21 . 19416 1 206 . 1 1 17 17 GLN HE22 H 1 6.8770 0.02 . 2 . . . A 268 GLN HE22 . 19416 1 207 . 1 1 17 17 GLN C C 13 176.9100 0.3 . 1 . . . A 268 GLN C . 19416 1 208 . 1 1 17 17 GLN CA C 13 56.8700 0.3 . 1 . . . A 268 GLN CA . 19416 1 209 . 1 1 17 17 GLN CB C 13 29.0900 0.3 . 1 . . . A 268 GLN CB . 19416 1 210 . 1 1 17 17 GLN CG C 13 33.8800 0.3 . 1 . . . A 268 GLN CG . 19416 1 211 . 1 1 17 17 GLN N N 15 120.5250 0.2 . 1 . . . A 268 GLN N . 19416 1 212 . 1 1 17 17 GLN NE2 N 15 112.3280 0.2 . 1 . . . A 268 GLN NE2 . 19416 1 213 . 1 1 18 18 GLU H H 1 8.3320 0.02 . 1 . . . A 269 GLU H . 19416 1 214 . 1 1 18 18 GLU HA H 1 4.2490 0.02 . 1 . . . A 269 GLU HA . 19416 1 215 . 1 1 18 18 GLU HB2 H 1 2.0430 0.02 . 2 . . . A 269 GLU HB2 . 19416 1 216 . 1 1 18 18 GLU HB3 H 1 2.0430 0.02 . 2 . . . A 269 GLU HB3 . 19416 1 217 . 1 1 18 18 GLU HG2 H 1 2.3000 0.02 . 2 . . . A 269 GLU HG2 . 19416 1 218 . 1 1 18 18 GLU HG3 H 1 2.3000 0.02 . 2 . . . A 269 GLU HG3 . 19416 1 219 . 1 1 18 18 GLU C C 13 176.1900 0.3 . 1 . . . A 269 GLU C . 19416 1 220 . 1 1 18 18 GLU CA C 13 57.4000 0.3 . 1 . . . A 269 GLU CA . 19416 1 221 . 1 1 18 18 GLU CB C 13 30.1280 0.3 . 1 . . . A 269 GLU CB . 19416 1 222 . 1 1 18 18 GLU CG C 13 36.3600 0.3 . 1 . . . A 269 GLU CG . 19416 1 223 . 1 1 18 18 GLU N N 15 122.1330 0.2 . 1 . . . A 269 GLU N . 19416 1 224 . 1 1 19 19 ILE H H 1 8.1800 0.02 . 1 . . . A 270 ILE H . 19416 1 225 . 1 1 19 19 ILE HA H 1 4.0440 0.02 . 1 . . . A 270 ILE HA . 19416 1 226 . 1 1 19 19 ILE HB H 1 1.8900 0.02 . 1 . . . A 270 ILE HB . 19416 1 227 . 1 1 19 19 ILE HG12 H 1 1.2030 0.02 . 2 . . . A 270 ILE HG12 . 19416 1 228 . 1 1 19 19 ILE HG13 H 1 1.5190 0.02 . 2 . . . A 270 ILE HG13 . 19416 1 229 . 1 1 19 19 ILE HG21 H 1 0.9060 0.02 . 1 . . . A 270 ILE HG21 . 19416 1 230 . 1 1 19 19 ILE HG22 H 1 0.9060 0.02 . 1 . . . A 270 ILE HG22 . 19416 1 231 . 1 1 19 19 ILE HG23 H 1 0.9060 0.02 . 1 . . . A 270 ILE HG23 . 19416 1 232 . 1 1 19 19 ILE HD11 H 1 0.8480 0.02 . 1 . . . A 270 ILE HD11 . 19416 1 233 . 1 1 19 19 ILE HD12 H 1 0.8480 0.02 . 1 . . . A 270 ILE HD12 . 19416 1 234 . 1 1 19 19 ILE HD13 H 1 0.8480 0.02 . 1 . . . A 270 ILE HD13 . 19416 1 235 . 1 1 19 19 ILE C C 13 176.8680 0.3 . 1 . . . A 270 ILE C . 19416 1 236 . 1 1 19 19 ILE CA C 13 62.6000 0.3 . 1 . . . A 270 ILE CA . 19416 1 237 . 1 1 19 19 ILE CB C 13 38.5400 0.3 . 1 . . . A 270 ILE CB . 19416 1 238 . 1 1 19 19 ILE CG1 C 13 27.9190 0.3 . 1 . . . A 270 ILE CG1 . 19416 1 239 . 1 1 19 19 ILE CG2 C 13 17.3880 0.3 . 1 . . . A 270 ILE CG2 . 19416 1 240 . 1 1 19 19 ILE CD1 C 13 12.9480 0.3 . 1 . . . A 270 ILE CD1 . 19416 1 241 . 1 1 19 19 ILE N N 15 121.3300 0.2 . 1 . . . A 270 ILE N . 19416 1 242 . 1 1 20 20 ASN H H 1 8.4030 0.02 . 1 . . . A 271 ASN H . 19416 1 243 . 1 1 20 20 ASN HA H 1 4.6320 0.02 . 1 . . . A 271 ASN HA . 19416 1 244 . 1 1 20 20 ASN HB2 H 1 2.8390 0.02 . 2 . . . A 271 ASN HB2 . 19416 1 245 . 1 1 20 20 ASN HB3 H 1 2.8390 0.02 . 2 . . . A 271 ASN HB3 . 19416 1 246 . 1 1 20 20 ASN HD21 H 1 7.6640 0.02 . 2 . . . A 271 ASN HD21 . 19416 1 247 . 1 1 20 20 ASN HD22 H 1 6.9440 0.02 . 2 . . . A 271 ASN HD22 . 19416 1 248 . 1 1 20 20 ASN C C 13 177.1630 0.3 . 1 . . . A 271 ASN C . 19416 1 249 . 1 1 20 20 ASN CA C 13 54.1190 0.3 . 1 . . . A 271 ASN CA . 19416 1 250 . 1 1 20 20 ASN CB C 13 38.5140 0.3 . 1 . . . A 271 ASN CB . 19416 1 251 . 1 1 20 20 ASN N N 15 121.1930 0.2 . 1 . . . A 271 ASN N . 19416 1 252 . 1 1 20 20 ASN ND2 N 15 112.5600 0.2 . 1 . . . A 271 ASN ND2 . 19416 1 253 . 1 1 21 21 GLN H H 1 8.3830 0.02 . 1 . . . A 272 GLN H . 19416 1 254 . 1 1 21 21 GLN HA H 1 4.2380 0.02 . 1 . . . A 272 GLN HA . 19416 1 255 . 1 1 21 21 GLN HB2 H 1 2.0930 0.02 . 2 . . . A 272 GLN HB2 . 19416 1 256 . 1 1 21 21 GLN HB3 H 1 2.0930 0.02 . 2 . . . A 272 GLN HB3 . 19416 1 257 . 1 1 21 21 GLN HG2 H 1 2.3740 0.02 . 2 . . . A 272 GLN HG2 . 19416 1 258 . 1 1 21 21 GLN HG3 H 1 2.3740 0.02 . 2 . . . A 272 GLN HG3 . 19416 1 259 . 1 1 21 21 GLN HE21 H 1 7.5360 0.02 . 2 . . . A 272 GLN HE21 . 19416 1 260 . 1 1 21 21 GLN HE22 H 1 6.8890 0.02 . 2 . . . A 272 GLN HE22 . 19416 1 261 . 1 1 21 21 GLN C C 13 176.5550 0.3 . 1 . . . A 272 GLN C . 19416 1 262 . 1 1 21 21 GLN CA C 13 57.2160 0.3 . 1 . . . A 272 GLN CA . 19416 1 263 . 1 1 21 21 GLN CB C 13 29.0630 0.3 . 1 . . . A 272 GLN CB . 19416 1 264 . 1 1 21 21 GLN CG C 13 33.9110 0.3 . 1 . . . A 272 GLN CG . 19416 1 265 . 1 1 21 21 GLN N N 15 121.2520 0.2 . 1 . . . A 272 GLN N . 19416 1 266 . 1 1 21 21 GLN NE2 N 15 112.1770 0.2 . 1 . . . A 272 GLN NE2 . 19416 1 267 . 1 1 22 22 LEU H H 1 8.1140 0.02 . 1 . . . A 273 LEU H . 19416 1 268 . 1 1 22 22 LEU HA H 1 4.2440 0.02 . 1 . . . A 273 LEU HA . 19416 1 269 . 1 1 22 22 LEU HB2 H 1 1.6220 0.02 . 2 . . . A 273 LEU HB2 . 19416 1 270 . 1 1 22 22 LEU HB3 H 1 1.7660 0.02 . 2 . . . A 273 LEU HB3 . 19416 1 271 . 1 1 22 22 LEU HG H 1 1.6760 0.02 . 1 . . . A 273 LEU HG . 19416 1 272 . 1 1 22 22 LEU HD11 H 1 0.8750 0.02 . 2 . . . A 273 LEU HD11 . 19416 1 273 . 1 1 22 22 LEU HD12 H 1 0.8750 0.02 . 2 . . . A 273 LEU HD12 . 19416 1 274 . 1 1 22 22 LEU HD13 H 1 0.8750 0.02 . 2 . . . A 273 LEU HD13 . 19416 1 275 . 1 1 22 22 LEU HD21 H 1 0.9360 0.02 . 2 . . . A 273 LEU HD21 . 19416 1 276 . 1 1 22 22 LEU HD22 H 1 0.9360 0.02 . 2 . . . A 273 LEU HD22 . 19416 1 277 . 1 1 22 22 LEU HD23 H 1 0.9360 0.02 . 2 . . . A 273 LEU HD23 . 19416 1 278 . 1 1 22 22 LEU C C 13 175.1600 0.3 . 1 . . . A 273 LEU C . 19416 1 279 . 1 1 22 22 LEU CA C 13 56.6100 0.3 . 1 . . . A 273 LEU CA . 19416 1 280 . 1 1 22 22 LEU CB C 13 41.9400 0.3 . 1 . . . A 273 LEU CB . 19416 1 281 . 1 1 22 22 LEU CG C 13 27.0200 0.3 . 1 . . . A 273 LEU CG . 19416 1 282 . 1 1 22 22 LEU CD1 C 13 23.4800 0.3 . 2 . . . A 273 LEU CD1 . 19416 1 283 . 1 1 22 22 LEU CD2 C 13 24.9000 0.3 . 2 . . . A 273 LEU CD2 . 19416 1 284 . 1 1 22 22 LEU N N 15 121.8920 0.2 . 1 . . . A 273 LEU N . 19416 1 285 . 1 1 23 23 LEU H H 1 8.0920 0.02 . 1 . . . A 274 LEU H . 19416 1 286 . 1 1 23 23 LEU HA H 1 4.3090 0.02 . 1 . . . A 274 LEU HA . 19416 1 287 . 1 1 23 23 LEU HB2 H 1 1.6270 0.02 . 2 . . . A 274 LEU HB2 . 19416 1 288 . 1 1 23 23 LEU HB3 H 1 1.7130 0.02 . 2 . . . A 274 LEU HB3 . 19416 1 289 . 1 1 23 23 LEU HG H 1 1.6610 0.02 . 1 . . . A 274 LEU HG . 19416 1 290 . 1 1 23 23 LEU HD11 H 1 0.8770 0.02 . 2 . . . A 274 LEU HD11 . 19416 1 291 . 1 1 23 23 LEU HD12 H 1 0.8770 0.02 . 2 . . . A 274 LEU HD12 . 19416 1 292 . 1 1 23 23 LEU HD13 H 1 0.8770 0.02 . 2 . . . A 274 LEU HD13 . 19416 1 293 . 1 1 23 23 LEU HD21 H 1 0.9380 0.02 . 2 . . . A 274 LEU HD21 . 19416 1 294 . 1 1 23 23 LEU HD22 H 1 0.9380 0.02 . 2 . . . A 274 LEU HD22 . 19416 1 295 . 1 1 23 23 LEU HD23 H 1 0.9380 0.02 . 2 . . . A 274 LEU HD23 . 19416 1 296 . 1 1 23 23 LEU C C 13 175.1400 0.3 . 1 . . . A 274 LEU C . 19416 1 297 . 1 1 23 23 LEU CA C 13 56.2000 0.3 . 1 . . . A 274 LEU CA . 19416 1 298 . 1 1 23 23 LEU CB C 13 42.1000 0.3 . 1 . . . A 274 LEU CB . 19416 1 299 . 1 1 23 23 LEU CG C 13 27.0200 0.3 . 1 . . . A 274 LEU CG . 19416 1 300 . 1 1 23 23 LEU CD1 C 13 23.3100 0.3 . 2 . . . A 274 LEU CD1 . 19416 1 301 . 1 1 23 23 LEU CD2 C 13 24.7700 0.3 . 2 . . . A 274 LEU CD2 . 19416 1 302 . 1 1 23 23 LEU N N 15 121.1600 0.2 . 1 . . . A 274 LEU N . 19416 1 303 . 1 1 24 24 SER H H 1 8.1340 0.02 . 1 . . . A 275 SER H . 19416 1 304 . 1 1 24 24 SER HA H 1 4.3210 0.02 . 1 . . . A 275 SER HA . 19416 1 305 . 1 1 24 24 SER HB2 H 1 3.9240 0.02 . 2 . . . A 275 SER HB2 . 19416 1 306 . 1 1 24 24 SER HB3 H 1 3.9240 0.02 . 2 . . . A 275 SER HB3 . 19416 1 307 . 1 1 24 24 SER C C 13 178.0200 0.3 . 1 . . . A 275 SER C . 19416 1 308 . 1 1 24 24 SER CA C 13 59.8870 0.3 . 1 . . . A 275 SER CA . 19416 1 309 . 1 1 24 24 SER CB C 13 63.3500 0.3 . 1 . . . A 275 SER CB . 19416 1 310 . 1 1 24 24 SER N N 15 115.7550 0.2 . 1 . . . A 275 SER N . 19416 1 311 . 1 1 25 25 LYS H H 1 8.0880 0.02 . 1 . . . A 276 LYS H . 19416 1 312 . 1 1 25 25 LYS HA H 1 4.2060 0.02 . 1 . . . A 276 LYS HA . 19416 1 313 . 1 1 25 25 LYS HB2 H 1 1.7910 0.02 . 2 . . . A 276 LYS HB2 . 19416 1 314 . 1 1 25 25 LYS HB3 H 1 1.7910 0.02 . 2 . . . A 276 LYS HB3 . 19416 1 315 . 1 1 25 25 LYS HG2 H 1 1.3780 0.02 . 2 . . . A 276 LYS HG2 . 19416 1 316 . 1 1 25 25 LYS HG3 H 1 1.4930 0.02 . 2 . . . A 276 LYS HG3 . 19416 1 317 . 1 1 25 25 LYS HD2 H 1 1.6800 0.02 . 2 . . . A 276 LYS HD2 . 19416 1 318 . 1 1 25 25 LYS HD3 H 1 1.6800 0.02 . 2 . . . A 276 LYS HD3 . 19416 1 319 . 1 1 25 25 LYS HE2 H 1 2.9790 0.02 . 2 . . . A 276 LYS HE2 . 19416 1 320 . 1 1 25 25 LYS HE3 H 1 2.9790 0.02 . 2 . . . A 276 LYS HE3 . 19416 1 321 . 1 1 25 25 LYS C C 13 176.5000 0.3 . 1 . . . A 276 LYS C . 19416 1 322 . 1 1 25 25 LYS CA C 13 57.5900 0.3 . 1 . . . A 276 LYS CA . 19416 1 323 . 1 1 25 25 LYS CB C 13 32.4300 0.3 . 1 . . . A 276 LYS CB . 19416 1 324 . 1 1 25 25 LYS CG C 13 24.8700 0.3 . 1 . . . A 276 LYS CG . 19416 1 325 . 1 1 25 25 LYS CD C 13 29.0900 0.3 . 1 . . . A 276 LYS CD . 19416 1 326 . 1 1 25 25 LYS CE C 13 42.3600 0.3 . 1 . . . A 276 LYS CE . 19416 1 327 . 1 1 25 25 LYS N N 15 123.0000 0.2 . 1 . . . A 276 LYS N . 19416 1 328 . 1 1 26 26 PHE H H 1 8.0880 0.02 . 1 . . . A 277 PHE H . 19416 1 329 . 1 1 26 26 PHE HA H 1 4.5550 0.02 . 1 . . . A 277 PHE HA . 19416 1 330 . 1 1 26 26 PHE HB2 H 1 3.1230 0.02 . 2 . . . A 277 PHE HB2 . 19416 1 331 . 1 1 26 26 PHE HB3 H 1 3.1960 0.02 . 2 . . . A 277 PHE HB3 . 19416 1 332 . 1 1 26 26 PHE HD1 H 1 7.2780 0.02 . 3 . . . A 277 PHE HD1 . 19416 1 333 . 1 1 26 26 PHE C C 13 176.8000 0.3 . 1 . . . A 277 PHE C . 19416 1 334 . 1 1 26 26 PHE CA C 13 59.2200 0.3 . 1 . . . A 277 PHE CA . 19416 1 335 . 1 1 26 26 PHE CB C 13 39.0900 0.3 . 1 . . . A 277 PHE CB . 19416 1 336 . 1 1 26 26 PHE CD1 C 13 132.7500 0.3 . 3 . . . A 277 PHE CD1 . 19416 1 337 . 1 1 26 26 PHE N N 15 120.1600 0.2 . 1 . . . A 277 PHE N . 19416 1 338 . 1 1 27 27 LYS H H 1 8.1660 0.02 . 1 . . . A 278 LYS H . 19416 1 339 . 1 1 27 27 LYS HA H 1 4.1020 0.02 . 1 . . . A 278 LYS HA . 19416 1 340 . 1 1 27 27 LYS HB2 H 1 1.8800 0.02 . 2 . . . A 278 LYS HB2 . 19416 1 341 . 1 1 27 27 LYS HB3 H 1 1.8800 0.02 . 2 . . . A 278 LYS HB3 . 19416 1 342 . 1 1 27 27 LYS HG2 H 1 1.4140 0.02 . 2 . . . A 278 LYS HG2 . 19416 1 343 . 1 1 27 27 LYS HG3 H 1 1.5210 0.02 . 2 . . . A 278 LYS HG3 . 19416 1 344 . 1 1 27 27 LYS HD2 H 1 1.6920 0.02 . 2 . . . A 278 LYS HD2 . 19416 1 345 . 1 1 27 27 LYS HD3 H 1 1.6920 0.02 . 2 . . . A 278 LYS HD3 . 19416 1 346 . 1 1 27 27 LYS HE2 H 1 2.9850 0.02 . 2 . . . A 278 LYS HE2 . 19416 1 347 . 1 1 27 27 LYS HE3 H 1 2.9850 0.02 . 2 . . . A 278 LYS HE3 . 19416 1 348 . 1 1 27 27 LYS C C 13 175.8000 0.3 . 1 . . . A 278 LYS C . 19416 1 349 . 1 1 27 27 LYS CA C 13 58.0400 0.3 . 1 . . . A 278 LYS CA . 19416 1 350 . 1 1 27 27 LYS CB C 13 32.8600 0.3 . 1 . . . A 278 LYS CB . 19416 1 351 . 1 1 27 27 LYS CG C 13 25.1700 0.3 . 1 . . . A 278 LYS CG . 19416 1 352 . 1 1 27 27 LYS CD C 13 29.3500 0.3 . 1 . . . A 278 LYS CD . 19416 1 353 . 1 1 27 27 LYS CE C 13 42.2000 0.3 . 1 . . . A 278 LYS CE . 19416 1 354 . 1 1 27 27 LYS N N 15 121.3800 0.2 . 1 . . . A 278 LYS N . 19416 1 355 . 1 1 28 28 GLU H H 1 8.3020 0.02 . 1 . . . A 279 GLU H . 19416 1 356 . 1 1 28 28 GLU HA H 1 4.1460 0.02 . 1 . . . A 279 GLU HA . 19416 1 357 . 1 1 28 28 GLU HB2 H 1 2.0710 0.02 . 2 . . . A 279 GLU HB2 . 19416 1 358 . 1 1 28 28 GLU HB3 H 1 2.0710 0.02 . 2 . . . A 279 GLU HB3 . 19416 1 359 . 1 1 28 28 GLU HG2 H 1 2.3100 0.02 . 2 . . . A 279 GLU HG2 . 19416 1 360 . 1 1 28 28 GLU HG3 H 1 2.3100 0.02 . 2 . . . A 279 GLU HG3 . 19416 1 361 . 1 1 28 28 GLU C C 13 175.6900 0.3 . 1 . . . A 279 GLU C . 19416 1 362 . 1 1 28 28 GLU CA C 13 58.1600 0.3 . 1 . . . A 279 GLU CA . 19416 1 363 . 1 1 28 28 GLU CB C 13 29.8500 0.3 . 1 . . . A 279 GLU CB . 19416 1 364 . 1 1 28 28 GLU CG C 13 36.4000 0.3 . 1 . . . A 279 GLU CG . 19416 1 365 . 1 1 28 28 GLU N N 15 121.0490 0.2 . 1 . . . A 279 GLU N . 19416 1 366 . 1 1 29 29 ASP H H 1 8.4460 0.02 . 1 . . . A 280 ASP H . 19416 1 367 . 1 1 29 29 ASP HA H 1 4.5110 0.02 . 1 . . . A 280 ASP HA . 19416 1 368 . 1 1 29 29 ASP HB2 H 1 2.6860 0.02 . 2 . . . A 280 ASP HB2 . 19416 1 369 . 1 1 29 29 ASP HB3 H 1 2.7440 0.02 . 2 . . . A 280 ASP HB3 . 19416 1 370 . 1 1 29 29 ASP C C 13 175.7700 0.3 . 1 . . . A 280 ASP C . 19416 1 371 . 1 1 29 29 ASP CA C 13 56.0500 0.3 . 1 . . . A 280 ASP CA . 19416 1 372 . 1 1 29 29 ASP CB C 13 40.6000 0.3 . 1 . . . A 280 ASP CB . 19416 1 373 . 1 1 29 29 ASP N N 15 121.2320 0.2 . 1 . . . A 280 ASP N . 19416 1 374 . 1 1 30 30 GLN H H 1 8.2320 0.02 . 1 . . . A 281 GLN H . 19416 1 375 . 1 1 30 30 GLN HA H 1 4.0510 0.02 . 1 . . . A 281 GLN HA . 19416 1 376 . 1 1 30 30 GLN HB2 H 1 2.0700 0.02 . 2 . . . A 281 GLN HB2 . 19416 1 377 . 1 1 30 30 GLN HB3 H 1 2.0700 0.02 . 2 . . . A 281 GLN HB3 . 19416 1 378 . 1 1 30 30 GLN HG2 H 1 2.2360 0.02 . 2 . . . A 281 GLN HG2 . 19416 1 379 . 1 1 30 30 GLN HG3 H 1 2.2360 0.02 . 2 . . . A 281 GLN HG3 . 19416 1 380 . 1 1 30 30 GLN HE21 H 1 7.3970 0.02 . 2 . . . A 281 GLN HE21 . 19416 1 381 . 1 1 30 30 GLN HE22 H 1 6.8850 0.02 . 2 . . . A 281 GLN HE22 . 19416 1 382 . 1 1 30 30 GLN C C 13 175.5500 0.3 . 1 . . . A 281 GLN C . 19416 1 383 . 1 1 30 30 GLN CA C 13 57.6400 0.3 . 1 . . . A 281 GLN CA . 19416 1 384 . 1 1 30 30 GLN CB C 13 28.7800 0.3 . 1 . . . A 281 GLN CB . 19416 1 385 . 1 1 30 30 GLN CG C 13 33.8300 0.3 . 1 . . . A 281 GLN CG . 19416 1 386 . 1 1 30 30 GLN N N 15 119.4400 0.2 . 1 . . . A 281 GLN N . 19416 1 387 . 1 1 30 30 GLN NE2 N 15 113.4400 0.2 . 1 . . . A 281 GLN NE2 . 19416 1 388 . 1 1 31 31 GLU H H 1 8.1900 0.02 . 1 . . . A 282 GLU H . 19416 1 389 . 1 1 31 31 GLU HA H 1 4.1320 0.02 . 1 . . . A 282 GLU HA . 19416 1 390 . 1 1 31 31 GLU HB2 H 1 2.0850 0.02 . 2 . . . A 282 GLU HB2 . 19416 1 391 . 1 1 31 31 GLU HB3 H 1 2.0850 0.02 . 2 . . . A 282 GLU HB3 . 19416 1 392 . 1 1 31 31 GLU HG2 H 1 2.3240 0.02 . 2 . . . A 282 GLU HG2 . 19416 1 393 . 1 1 31 31 GLU HG3 H 1 2.3240 0.02 . 2 . . . A 282 GLU HG3 . 19416 1 394 . 1 1 31 31 GLU C C 13 175.8200 0.3 . 1 . . . A 282 GLU C . 19416 1 395 . 1 1 31 31 GLU CA C 13 58.0600 0.3 . 1 . . . A 282 GLU CA . 19416 1 396 . 1 1 31 31 GLU CB C 13 29.1900 0.3 . 1 . . . A 282 GLU CB . 19416 1 397 . 1 1 31 31 GLU CG C 13 36.4000 0.3 . 1 . . . A 282 GLU CG . 19416 1 398 . 1 1 31 31 GLU N N 15 120.3200 0.2 . 1 . . . A 282 GLU N . 19416 1 399 . 1 1 32 32 ARG H H 1 7.9660 0.02 . 1 . . . A 283 ARG H . 19416 1 400 . 1 1 32 32 ARG HA H 1 4.1390 0.02 . 1 . . . A 283 ARG HA . 19416 1 401 . 1 1 32 32 ARG HB2 H 1 1.9090 0.02 . 2 . . . A 283 ARG HB2 . 19416 1 402 . 1 1 32 32 ARG HB3 H 1 1.9090 0.02 . 2 . . . A 283 ARG HB3 . 19416 1 403 . 1 1 32 32 ARG HG2 H 1 1.6150 0.02 . 2 . . . A 283 ARG HG2 . 19416 1 404 . 1 1 32 32 ARG HG3 H 1 1.7030 0.02 . 2 . . . A 283 ARG HG3 . 19416 1 405 . 1 1 32 32 ARG HD2 H 1 3.2200 0.02 . 2 . . . A 283 ARG HD2 . 19416 1 406 . 1 1 32 32 ARG HD3 H 1 3.2200 0.02 . 2 . . . A 283 ARG HD3 . 19416 1 407 . 1 1 32 32 ARG C C 13 175.5600 0.3 . 1 . . . A 283 ARG C . 19416 1 408 . 1 1 32 32 ARG CA C 13 58.3800 0.3 . 1 . . . A 283 ARG CA . 19416 1 409 . 1 1 32 32 ARG CB C 13 30.0500 0.3 . 1 . . . A 283 ARG CB . 19416 1 410 . 1 1 32 32 ARG CG C 13 27.3320 0.3 . 1 . . . A 283 ARG CG . 19416 1 411 . 1 1 32 32 ARG CD C 13 43.3300 0.3 . 1 . . . A 283 ARG CD . 19416 1 412 . 1 1 32 32 ARG N N 15 120.2030 0.2 . 1 . . . A 283 ARG N . 19416 1 413 . 1 1 33 33 ILE H H 1 7.8450 0.02 . 1 . . . A 284 ILE H . 19416 1 414 . 1 1 33 33 ILE HA H 1 3.9240 0.02 . 1 . . . A 284 ILE HA . 19416 1 415 . 1 1 33 33 ILE HB H 1 1.8880 0.02 . 1 . . . A 284 ILE HB . 19416 1 416 . 1 1 33 33 ILE HG12 H 1 1.1800 0.02 . 2 . . . A 284 ILE HG12 . 19416 1 417 . 1 1 33 33 ILE HG13 H 1 1.5600 0.02 . 2 . . . A 284 ILE HG13 . 19416 1 418 . 1 1 33 33 ILE HG21 H 1 0.9040 0.02 . 1 . . . A 284 ILE HG21 . 19416 1 419 . 1 1 33 33 ILE HG22 H 1 0.9040 0.02 . 1 . . . A 284 ILE HG22 . 19416 1 420 . 1 1 33 33 ILE HG23 H 1 0.9040 0.02 . 1 . . . A 284 ILE HG23 . 19416 1 421 . 1 1 33 33 ILE HD11 H 1 0.8340 0.02 . 1 . . . A 284 ILE HD11 . 19416 1 422 . 1 1 33 33 ILE HD12 H 1 0.8340 0.02 . 1 . . . A 284 ILE HD12 . 19416 1 423 . 1 1 33 33 ILE HD13 H 1 0.8340 0.02 . 1 . . . A 284 ILE HD13 . 19416 1 424 . 1 1 33 33 ILE C C 13 176.3600 0.3 . 1 . . . A 284 ILE C . 19416 1 425 . 1 1 33 33 ILE CA C 13 63.0600 0.3 . 1 . . . A 284 ILE CA . 19416 1 426 . 1 1 33 33 ILE CB C 13 38.1500 0.3 . 1 . . . A 284 ILE CB . 19416 1 427 . 1 1 33 33 ILE CG1 C 13 28.0200 0.3 . 1 . . . A 284 ILE CG1 . 19416 1 428 . 1 1 33 33 ILE CG2 C 13 17.4200 0.3 . 1 . . . A 284 ILE CG2 . 19416 1 429 . 1 1 33 33 ILE CD1 C 13 12.9700 0.3 . 1 . . . A 284 ILE CD1 . 19416 1 430 . 1 1 33 33 ILE N N 15 119.6630 0.2 . 1 . . . A 284 ILE N . 19416 1 431 . 1 1 34 34 LYS H H 1 7.9160 0.02 . 1 . . . A 285 LYS H . 19416 1 432 . 1 1 34 34 LYS HA H 1 4.1170 0.02 . 1 . . . A 285 LYS HA . 19416 1 433 . 1 1 34 34 LYS HB2 H 1 1.8810 0.02 . 2 . . . A 285 LYS HB2 . 19416 1 434 . 1 1 34 34 LYS HB3 H 1 1.8810 0.02 . 2 . . . A 285 LYS HB3 . 19416 1 435 . 1 1 34 34 LYS HG2 H 1 1.4090 0.02 . 2 . . . A 285 LYS HG2 . 19416 1 436 . 1 1 34 34 LYS HG3 H 1 1.5260 0.02 . 2 . . . A 285 LYS HG3 . 19416 1 437 . 1 1 34 34 LYS HD2 H 1 1.6840 0.02 . 2 . . . A 285 LYS HD2 . 19416 1 438 . 1 1 34 34 LYS HD3 H 1 1.6840 0.02 . 2 . . . A 285 LYS HD3 . 19416 1 439 . 1 1 34 34 LYS HE2 H 1 2.9740 0.02 . 2 . . . A 285 LYS HE2 . 19416 1 440 . 1 1 34 34 LYS HE3 H 1 2.9740 0.02 . 2 . . . A 285 LYS HE3 . 19416 1 441 . 1 1 34 34 LYS C C 13 175.3300 0.3 . 1 . . . A 285 LYS C . 19416 1 442 . 1 1 34 34 LYS CA C 13 58.5200 0.3 . 1 . . . A 285 LYS CA . 19416 1 443 . 1 1 34 34 LYS CB C 13 32.6500 0.3 . 1 . . . A 285 LYS CB . 19416 1 444 . 1 1 34 34 LYS CG C 13 24.9300 0.3 . 1 . . . A 285 LYS CG . 19416 1 445 . 1 1 34 34 LYS CD C 13 29.3300 0.3 . 1 . . . A 285 LYS CD . 19416 1 446 . 1 1 34 34 LYS CE C 13 42.2200 0.3 . 1 . . . A 285 LYS CE . 19416 1 447 . 1 1 34 34 LYS N N 15 122.3340 0.2 . 1 . . . A 285 LYS N . 19416 1 448 . 1 1 35 35 VAL H H 1 7.9820 0.02 . 1 . . . A 286 VAL H . 19416 1 449 . 1 1 35 35 VAL HA H 1 3.9500 0.02 . 1 . . . A 286 VAL HA . 19416 1 450 . 1 1 35 35 VAL HB H 1 2.1160 0.02 . 1 . . . A 286 VAL HB . 19416 1 451 . 1 1 35 35 VAL HG11 H 1 0.9430 0.02 . 2 . . . A 286 VAL HG11 . 19416 1 452 . 1 1 35 35 VAL HG12 H 1 0.9430 0.02 . 2 . . . A 286 VAL HG12 . 19416 1 453 . 1 1 35 35 VAL HG13 H 1 0.9430 0.02 . 2 . . . A 286 VAL HG13 . 19416 1 454 . 1 1 35 35 VAL HG21 H 1 1.0180 0.02 . 2 . . . A 286 VAL HG21 . 19416 1 455 . 1 1 35 35 VAL HG22 H 1 1.0180 0.02 . 2 . . . A 286 VAL HG22 . 19416 1 456 . 1 1 35 35 VAL HG23 H 1 1.0180 0.02 . 2 . . . A 286 VAL HG23 . 19416 1 457 . 1 1 35 35 VAL C C 13 176.2500 0.3 . 1 . . . A 286 VAL C . 19416 1 458 . 1 1 35 35 VAL CA C 13 64.2000 0.3 . 1 . . . A 286 VAL CA . 19416 1 459 . 1 1 35 35 VAL CB C 13 32.3000 0.3 . 1 . . . A 286 VAL CB . 19416 1 460 . 1 1 35 35 VAL CG1 C 13 21.4560 0.3 . 2 . . . A 286 VAL CG1 . 19416 1 461 . 1 1 35 35 VAL CG2 C 13 21.4560 0.3 . 2 . . . A 286 VAL CG2 . 19416 1 462 . 1 1 35 35 VAL N N 15 119.9600 0.2 . 1 . . . A 286 VAL N . 19416 1 463 . 1 1 36 36 MET H H 1 8.1690 0.02 . 1 . . . A 287 MET H . 19416 1 464 . 1 1 36 36 MET HA H 1 4.3320 0.02 . 1 . . . A 287 MET HA . 19416 1 465 . 1 1 36 36 MET HB2 H 1 2.1160 0.02 . 2 . . . A 287 MET HB2 . 19416 1 466 . 1 1 36 36 MET HB3 H 1 2.1160 0.02 . 2 . . . A 287 MET HB3 . 19416 1 467 . 1 1 36 36 MET HG2 H 1 2.5700 0.02 . 2 . . . A 287 MET HG2 . 19416 1 468 . 1 1 36 36 MET HG3 H 1 2.6740 0.02 . 2 . . . A 287 MET HG3 . 19416 1 469 . 1 1 36 36 MET HE1 H 1 2.0880 0.02 . 1 . . . A 287 MET HE1 . 19416 1 470 . 1 1 36 36 MET HE2 H 1 2.0880 0.02 . 1 . . . A 287 MET HE2 . 19416 1 471 . 1 1 36 36 MET HE3 H 1 2.0880 0.02 . 1 . . . A 287 MET HE3 . 19416 1 472 . 1 1 36 36 MET C C 13 176.0500 0.3 . 1 . . . A 287 MET C . 19416 1 473 . 1 1 36 36 MET CA C 13 56.8800 0.3 . 1 . . . A 287 MET CA . 19416 1 474 . 1 1 36 36 MET CB C 13 32.4500 0.3 . 1 . . . A 287 MET CB . 19416 1 475 . 1 1 36 36 MET CG C 13 32.0600 0.3 . 1 . . . A 287 MET CG . 19416 1 476 . 1 1 36 36 MET CE C 13 16.9580 0.3 . 1 . . . A 287 MET CE . 19416 1 477 . 1 1 36 36 MET N N 15 121.8300 0.2 . 1 . . . A 287 MET N . 19416 1 478 . 1 1 37 37 LYS H H 1 8.2500 0.02 . 1 . . . A 288 LYS H . 19416 1 479 . 1 1 37 37 LYS HA H 1 4.1690 0.02 . 1 . . . A 288 LYS HA . 19416 1 480 . 1 1 37 37 LYS HB2 H 1 1.8430 0.02 . 2 . . . A 288 LYS HB2 . 19416 1 481 . 1 1 37 37 LYS HB3 H 1 1.8430 0.02 . 2 . . . A 288 LYS HB3 . 19416 1 482 . 1 1 37 37 LYS HG2 H 1 1.4020 0.02 . 2 . . . A 288 LYS HG2 . 19416 1 483 . 1 1 37 37 LYS HG3 H 1 1.4020 0.02 . 2 . . . A 288 LYS HG3 . 19416 1 484 . 1 1 37 37 LYS HD2 H 1 1.6810 0.02 . 2 . . . A 288 LYS HD2 . 19416 1 485 . 1 1 37 37 LYS HD3 H 1 1.6810 0.02 . 2 . . . A 288 LYS HD3 . 19416 1 486 . 1 1 37 37 LYS HE2 H 1 2.9750 0.02 . 2 . . . A 288 LYS HE2 . 19416 1 487 . 1 1 37 37 LYS HE3 H 1 2.9750 0.02 . 2 . . . A 288 LYS HE3 . 19416 1 488 . 1 1 37 37 LYS C C 13 176.4000 0.3 . 1 . . . A 288 LYS C . 19416 1 489 . 1 1 37 37 LYS CA C 13 57.3600 0.3 . 1 . . . A 288 LYS CA . 19416 1 490 . 1 1 37 37 LYS CB C 13 32.8200 0.3 . 1 . . . A 288 LYS CB . 19416 1 491 . 1 1 37 37 LYS CG C 13 25.0000 0.3 . 1 . . . A 288 LYS CG . 19416 1 492 . 1 1 37 37 LYS CD C 13 29.2000 0.3 . 1 . . . A 288 LYS CD . 19416 1 493 . 1 1 37 37 LYS CE C 13 42.3000 0.3 . 1 . . . A 288 LYS CE . 19416 1 494 . 1 1 37 37 LYS N N 15 121.1400 0.2 . 1 . . . A 288 LYS N . 19416 1 495 . 1 1 38 38 ALA H H 1 7.9840 0.02 . 1 . . . A 289 ALA H . 19416 1 496 . 1 1 38 38 ALA HA H 1 4.2650 0.02 . 1 . . . A 289 ALA HA . 19416 1 497 . 1 1 38 38 ALA HB1 H 1 1.4330 0.02 . 1 . . . A 289 ALA HB1 . 19416 1 498 . 1 1 38 38 ALA HB2 H 1 1.4330 0.02 . 1 . . . A 289 ALA HB2 . 19416 1 499 . 1 1 38 38 ALA HB3 H 1 1.4330 0.02 . 1 . . . A 289 ALA HB3 . 19416 1 500 . 1 1 38 38 ALA C C 13 175.3800 0.3 . 1 . . . A 289 ALA C . 19416 1 501 . 1 1 38 38 ALA CA C 13 53.2500 0.3 . 1 . . . A 289 ALA CA . 19416 1 502 . 1 1 38 38 ALA CB C 13 19.0000 0.3 . 1 . . . A 289 ALA CB . 19416 1 503 . 1 1 38 38 ALA N N 15 123.4700 0.2 . 1 . . . A 289 ALA N . 19416 1 504 . 1 1 39 39 LYS H H 1 8.0840 0.02 . 1 . . . A 290 LYS H . 19416 1 505 . 1 1 39 39 LYS HA H 1 4.2580 0.02 . 1 . . . A 290 LYS HA . 19416 1 506 . 1 1 39 39 LYS HB2 H 1 1.8360 0.02 . 2 . . . A 290 LYS HB2 . 19416 1 507 . 1 1 39 39 LYS HB3 H 1 1.8360 0.02 . 2 . . . A 290 LYS HB3 . 19416 1 508 . 1 1 39 39 LYS HG2 H 1 1.4170 0.02 . 2 . . . A 290 LYS HG2 . 19416 1 509 . 1 1 39 39 LYS HG3 H 1 1.4170 0.02 . 2 . . . A 290 LYS HG3 . 19416 1 510 . 1 1 39 39 LYS HD2 H 1 1.6880 0.02 . 2 . . . A 290 LYS HD2 . 19416 1 511 . 1 1 39 39 LYS HD3 H 1 1.6880 0.02 . 2 . . . A 290 LYS HD3 . 19416 1 512 . 1 1 39 39 LYS HE2 H 1 2.9830 0.02 . 2 . . . A 290 LYS HE2 . 19416 1 513 . 1 1 39 39 LYS HE3 H 1 2.9830 0.02 . 2 . . . A 290 LYS HE3 . 19416 1 514 . 1 1 39 39 LYS C C 13 176.7200 0.3 . 1 . . . A 290 LYS C . 19416 1 515 . 1 1 39 39 LYS CA C 13 56.8660 0.3 . 1 . . . A 290 LYS CA . 19416 1 516 . 1 1 39 39 LYS CB C 13 32.8800 0.3 . 1 . . . A 290 LYS CB . 19416 1 517 . 1 1 39 39 LYS CG C 13 25.0000 0.3 . 1 . . . A 290 LYS CG . 19416 1 518 . 1 1 39 39 LYS CD C 13 29.1200 0.3 . 1 . . . A 290 LYS CD . 19416 1 519 . 1 1 39 39 LYS CE C 13 42.1700 0.3 . 1 . . . A 290 LYS CE . 19416 1 520 . 1 1 39 39 LYS N N 15 119.7070 0.2 . 1 . . . A 290 LYS N . 19416 1 521 . 1 1 40 40 ARG H H 1 8.1210 0.02 . 1 . . . A 291 ARG H . 19416 1 522 . 1 1 40 40 ARG HA H 1 4.2600 0.02 . 1 . . . A 291 ARG HA . 19416 1 523 . 1 1 40 40 ARG HB2 H 1 1.8070 0.02 . 2 . . . A 291 ARG HB2 . 19416 1 524 . 1 1 40 40 ARG HB3 H 1 1.8070 0.02 . 2 . . . A 291 ARG HB3 . 19416 1 525 . 1 1 40 40 ARG HG2 H 1 1.6350 0.02 . 2 . . . A 291 ARG HG2 . 19416 1 526 . 1 1 40 40 ARG HG3 H 1 1.6350 0.02 . 2 . . . A 291 ARG HG3 . 19416 1 527 . 1 1 40 40 ARG HD2 H 1 3.1860 0.02 . 2 . . . A 291 ARG HD2 . 19416 1 528 . 1 1 40 40 ARG HD3 H 1 3.1860 0.02 . 2 . . . A 291 ARG HD3 . 19416 1 529 . 1 1 40 40 ARG C C 13 177.4220 0.3 . 1 . . . A 291 ARG C . 19416 1 530 . 1 1 40 40 ARG CA C 13 56.4900 0.3 . 1 . . . A 291 ARG CA . 19416 1 531 . 1 1 40 40 ARG CB C 13 30.7700 0.3 . 1 . . . A 291 ARG CB . 19416 1 532 . 1 1 40 40 ARG CG C 13 27.1600 0.3 . 1 . . . A 291 ARG CG . 19416 1 533 . 1 1 40 40 ARG CD C 13 43.4400 0.3 . 1 . . . A 291 ARG CD . 19416 1 534 . 1 1 40 40 ARG N N 15 121.4780 0.2 . 1 . . . A 291 ARG N . 19416 1 535 . 1 1 41 41 LYS H H 1 8.2300 0.02 . 1 . . . A 292 LYS H . 19416 1 536 . 1 1 41 41 LYS HA H 1 4.2580 0.02 . 1 . . . A 292 LYS HA . 19416 1 537 . 1 1 41 41 LYS HB2 H 1 1.7200 0.02 . 2 . . . A 292 LYS HB2 . 19416 1 538 . 1 1 41 41 LYS HB3 H 1 1.7200 0.02 . 2 . . . A 292 LYS HB3 . 19416 1 539 . 1 1 41 41 LYS HG2 H 1 1.4430 0.02 . 2 . . . A 292 LYS HG2 . 19416 1 540 . 1 1 41 41 LYS HG3 H 1 1.4430 0.02 . 2 . . . A 292 LYS HG3 . 19416 1 541 . 1 1 41 41 LYS HD2 H 1 1.6850 0.02 . 2 . . . A 292 LYS HD2 . 19416 1 542 . 1 1 41 41 LYS HD3 H 1 1.6850 0.02 . 2 . . . A 292 LYS HD3 . 19416 1 543 . 1 1 41 41 LYS HE2 H 1 2.9850 0.02 . 2 . . . A 292 LYS HE2 . 19416 1 544 . 1 1 41 41 LYS HE3 H 1 2.9850 0.02 . 2 . . . A 292 LYS HE3 . 19416 1 545 . 1 1 41 41 LYS C C 13 177.4700 0.3 . 1 . . . A 292 LYS C . 19416 1 546 . 1 1 41 41 LYS CA C 13 56.6400 0.3 . 1 . . . A 292 LYS CA . 19416 1 547 . 1 1 41 41 LYS CB C 13 32.9800 0.3 . 1 . . . A 292 LYS CB . 19416 1 548 . 1 1 41 41 LYS CG C 13 24.8300 0.3 . 1 . . . A 292 LYS CG . 19416 1 549 . 1 1 41 41 LYS CD C 13 29.0900 0.3 . 1 . . . A 292 LYS CD . 19416 1 550 . 1 1 41 41 LYS CE C 13 42.1700 0.3 . 1 . . . A 292 LYS CE . 19416 1 551 . 1 1 41 41 LYS N N 15 122.3200 0.2 . 1 . . . A 292 LYS N . 19416 1 552 . 1 1 42 42 PHE H H 1 8.2410 0.02 . 1 . . . A 293 PHE H . 19416 1 553 . 1 1 42 42 PHE HA H 1 4.5760 0.02 . 1 . . . A 293 PHE HA . 19416 1 554 . 1 1 42 42 PHE HB2 H 1 3.0300 0.02 . 2 . . . A 293 PHE HB2 . 19416 1 555 . 1 1 42 42 PHE HB3 H 1 3.0300 0.02 . 2 . . . A 293 PHE HB3 . 19416 1 556 . 1 1 42 42 PHE HD1 H 1 7.2170 0.02 . 3 . . . A 293 PHE HD1 . 19416 1 557 . 1 1 42 42 PHE HD2 H 1 7.2170 0.02 . 3 . . . A 293 PHE HD2 . 19416 1 558 . 1 1 42 42 PHE HE1 H 1 7.3310 0.02 . 3 . . . A 293 PHE HE1 . 19416 1 559 . 1 1 42 42 PHE HE2 H 1 7.3310 0.02 . 3 . . . A 293 PHE HE2 . 19416 1 560 . 1 1 42 42 PHE C C 13 178.8900 0.3 . 1 . . . A 293 PHE C . 19416 1 561 . 1 1 42 42 PHE CA C 13 57.6500 0.3 . 1 . . . A 293 PHE CA . 19416 1 562 . 1 1 42 42 PHE CB C 13 39.7800 0.3 . 1 . . . A 293 PHE CB . 19416 1 563 . 1 1 42 42 PHE CD1 C 13 131.5670 0.3 . 3 . . . A 293 PHE CD1 . 19416 1 564 . 1 1 42 42 PHE CD2 C 13 131.5670 0.3 . 3 . . . A 293 PHE CD2 . 19416 1 565 . 1 1 42 42 PHE CE1 C 13 131.7000 0.3 . 3 . . . A 293 PHE CE1 . 19416 1 566 . 1 1 42 42 PHE CE2 C 13 131.7000 0.3 . 3 . . . A 293 PHE CE2 . 19416 1 567 . 1 1 42 42 PHE N N 15 121.5800 0.2 . 1 . . . A 293 PHE N . 19416 1 568 . 1 1 43 43 ASN H H 1 8.2700 0.02 . 1 . . . A 294 ASN H . 19416 1 569 . 1 1 43 43 ASN HA H 1 4.9070 0.02 . 1 . . . A 294 ASN HA . 19416 1 570 . 1 1 43 43 ASN HB2 H 1 2.6070 0.02 . 2 . . . A 294 ASN HB2 . 19416 1 571 . 1 1 43 43 ASN HB3 H 1 2.7990 0.02 . 2 . . . A 294 ASN HB3 . 19416 1 572 . 1 1 43 43 ASN HD21 H 1 7.5680 0.02 . 2 . . . A 294 ASN HD21 . 19416 1 573 . 1 1 43 43 ASN HD22 H 1 6.9370 0.02 . 2 . . . A 294 ASN HD22 . 19416 1 574 . 1 1 43 43 ASN C C 13 180.5700 0.3 . 1 . . . A 294 ASN C . 19416 1 575 . 1 1 43 43 ASN CA C 13 50.6900 0.3 . 1 . . . A 294 ASN CA . 19416 1 576 . 1 1 43 43 ASN CB C 13 39.4100 0.3 . 1 . . . A 294 ASN CB . 19416 1 577 . 1 1 43 43 ASN N N 15 122.5900 0.2 . 1 . . . A 294 ASN N . 19416 1 578 . 1 1 43 43 ASN ND2 N 15 112.7770 0.2 . 1 . . . A 294 ASN ND2 . 19416 1 579 . 1 1 44 44 PRO HA H 1 4.2540 0.02 . 1 . . . A 295 PRO HA . 19416 1 580 . 1 1 44 44 PRO HB2 H 1 2.0960 0.02 . 2 . . . A 295 PRO HB2 . 19416 1 581 . 1 1 44 44 PRO HB3 H 1 1.6260 0.02 . 2 . . . A 295 PRO HB3 . 19416 1 582 . 1 1 44 44 PRO HG2 H 1 1.5470 0.02 . 2 . . . A 295 PRO HG2 . 19416 1 583 . 1 1 44 44 PRO HG3 H 1 1.8340 0.02 . 2 . . . A 295 PRO HG3 . 19416 1 584 . 1 1 44 44 PRO HD2 H 1 3.4940 0.02 . 2 . . . A 295 PRO HD2 . 19416 1 585 . 1 1 44 44 PRO HD3 H 1 3.5850 0.02 . 2 . . . A 295 PRO HD3 . 19416 1 586 . 1 1 44 44 PRO C C 13 177.1100 0.3 . 1 . . . A 295 PRO C . 19416 1 587 . 1 1 44 44 PRO CA C 13 63.3500 0.3 . 1 . . . A 295 PRO CA . 19416 1 588 . 1 1 44 44 PRO CB C 13 31.9400 0.3 . 1 . . . A 295 PRO CB . 19416 1 589 . 1 1 44 44 PRO CG C 13 26.4400 0.3 . 1 . . . A 295 PRO CG . 19416 1 590 . 1 1 44 44 PRO CD C 13 50.6400 0.3 . 1 . . . A 295 PRO CD . 19416 1 591 . 1 1 45 45 TYR H H 1 8.0000 0.02 . 1 . . . A 296 TYR H . 19416 1 592 . 1 1 45 45 TYR HA H 1 4.6650 0.02 . 1 . . . A 296 TYR HA . 19416 1 593 . 1 1 45 45 TYR HB2 H 1 2.9390 0.02 . 2 . . . A 296 TYR HB2 . 19416 1 594 . 1 1 45 45 TYR HB3 H 1 3.2130 0.02 . 2 . . . A 296 TYR HB3 . 19416 1 595 . 1 1 45 45 TYR HD1 H 1 7.1670 0.02 . 3 . . . A 296 TYR HD1 . 19416 1 596 . 1 1 45 45 TYR HD2 H 1 7.1670 0.02 . 3 . . . A 296 TYR HD2 . 19416 1 597 . 1 1 45 45 TYR HE1 H 1 6.8450 0.02 . 3 . . . A 296 TYR HE1 . 19416 1 598 . 1 1 45 45 TYR HE2 H 1 6.8450 0.02 . 3 . . . A 296 TYR HE2 . 19416 1 599 . 1 1 45 45 TYR C C 13 178.2400 0.3 . 1 . . . A 296 TYR C . 19416 1 600 . 1 1 45 45 TYR CA C 13 57.6500 0.3 . 1 . . . A 296 TYR CA . 19416 1 601 . 1 1 45 45 TYR CB C 13 38.2400 0.3 . 1 . . . A 296 TYR CB . 19416 1 602 . 1 1 45 45 TYR CD1 C 13 133.2530 0.3 . 3 . . . A 296 TYR CD1 . 19416 1 603 . 1 1 45 45 TYR CD2 C 13 133.2530 0.3 . 3 . . . A 296 TYR CD2 . 19416 1 604 . 1 1 45 45 TYR CE1 C 13 118.3450 0.3 . 3 . . . A 296 TYR CE1 . 19416 1 605 . 1 1 45 45 TYR CE2 C 13 118.3450 0.3 . 3 . . . A 296 TYR CE2 . 19416 1 606 . 1 1 45 45 TYR N N 15 119.2690 0.2 . 1 . . . A 296 TYR N . 19416 1 607 . 1 1 46 46 THR H H 1 7.5240 0.02 . 1 . . . A 297 THR H . 19416 1 608 . 1 1 46 46 THR HA H 1 4.1230 0.02 . 1 . . . A 297 THR HA . 19416 1 609 . 1 1 46 46 THR HB H 1 4.2100 0.02 . 1 . . . A 297 THR HB . 19416 1 610 . 1 1 46 46 THR HG21 H 1 1.1450 0.02 . 1 . . . A 297 THR HG21 . 19416 1 611 . 1 1 46 46 THR HG22 H 1 1.1450 0.02 . 1 . . . A 297 THR HG22 . 19416 1 612 . 1 1 46 46 THR HG23 H 1 1.1450 0.02 . 1 . . . A 297 THR HG23 . 19416 1 613 . 1 1 46 46 THR C C 13 174.5400 0.3 . 1 . . . A 297 THR C . 19416 1 614 . 1 1 46 46 THR CA C 13 63.2470 0.3 . 1 . . . A 297 THR CA . 19416 1 615 . 1 1 46 46 THR CB C 13 70.6700 0.3 . 1 . . . A 297 THR CB . 19416 1 616 . 1 1 46 46 THR CG2 C 13 21.9700 0.3 . 1 . . . A 297 THR CG2 . 19416 1 617 . 1 1 46 46 THR N N 15 119.6680 0.2 . 1 . . . A 297 THR N . 19416 1 stop_ save_