data_19600 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19600 _Entry.Title ; CEH37 Homeodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-04 _Entry.Accession_date 2013-11-04 _Entry.Last_release_date 2014-02-11 _Entry.Original_release_date 2014-02-11 _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 'NMR, 20 STRUCTURES' _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 Sunjin Moon . . . 19600 2 Weontae Lee . . . 19600 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' . 19600 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding protein' . 19600 Homeodomain . 19600 'Telomere binding protein' . 19600 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19600 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 199 19600 '15N chemical shifts' 64 19600 '1H chemical shifts' 431 19600 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-11 2013-11-04 original author . 19600 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MGQ 'BMRB Entry Tracking System' 19600 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19600 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24361878 _Citation.Full_citation . _Citation.Title 'Solution structure of CEH-37 homeodomain of the nematode Caenorhabditis elegans.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 443 _Citation.Journal_issue 2 _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 370 _Citation.Page_last 375 _Citation.Year 2014 _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 Sunjin Moon . . . 19600 1 2 'Yong Woo' Lee . . . 19600 1 3 'Woo Taek' Kim . . . 19600 1 4 Weontae Lee . . . 19600 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19600 _Assembly.ID 1 _Assembly.Name 'CEH37 Homeodomain' _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 'CEH37 Homeodomain' 1 $CEH-37_Homeodomain A . yes native no no . . . 19600 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CEH-37_Homeodomain _Entity.Sf_category entity _Entity.Sf_framecode CEH-37_Homeodomain _Entity.Entry_ID 19600 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CEH-37_Homeodomain _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 ; GPRKNRRERTTYSRQQLEIL ETLFNETQYPDVFARERVAD QIRLQESRIQVWFKNRRAKY RLQEKQKP ; _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 68 _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 8511.745 _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 no PDB 2MGQ . "Structure Of Ceh37 Homeodomain" . . . . . 100.00 68 100.00 100.00 2.43e-39 . . . . 19600 1 2 no EMBL CAB02825 . "Homeobox protein ceh-37 [Caenorhabditis elegans]" . . . . . 98.53 278 100.00 100.00 7.47e-38 . . . . 19600 1 3 no EMBL CDX47432 . "C. Elegans Homeobox [Caenorhabditis elegans]" . . . . . 98.53 251 100.00 100.00 6.26e-38 . . . . 19600 1 4 no EMBL CDX47433 . "C. Elegans Homeobox [Caenorhabditis elegans]" . . . . . 98.53 243 100.00 100.00 5.07e-38 . . . . 19600 1 5 no GB ACV72913 . "CEH-37b, partial [Caenorhabditis remanei]" . . . . . 98.53 245 97.01 98.51 1.93e-36 . . . . 19600 1 6 no GB ACV72914 . "CEH-37b, partial [Caenorhabditis remanei]" . . . . . 98.53 245 97.01 98.51 1.93e-36 . . . . 19600 1 7 no GB ACV72915 . "CEH-37b, partial [Caenorhabditis remanei]" . . . . . 98.53 245 97.01 98.51 1.93e-36 . . . . 19600 1 8 no GB ACV72916 . "CEH-37b, partial [Caenorhabditis remanei]" . . . . . 98.53 245 97.01 98.51 2.04e-36 . . . . 19600 1 9 no GB ACV72917 . "CEH-37b, partial [Caenorhabditis remanei]" . . . . . 98.53 245 97.01 98.51 2.04e-36 . . . . 19600 1 10 no REF NP_001294799 . "C. Elegans Homeobox [Caenorhabditis elegans]" . . . . . 98.53 251 100.00 100.00 6.26e-38 . . . . 19600 1 11 no REF NP_001294800 . "C. Elegans Homeobox [Caenorhabditis elegans]" . . . . . 98.53 243 100.00 100.00 5.07e-38 . . . . 19600 1 12 no REF NP_510366 . "Homeobox protein ceh-37 [Caenorhabditis elegans]" . . . . . 98.53 278 100.00 100.00 7.47e-38 . . . . 19600 1 13 no REF XP_003102040 . "hypothetical protein CRE_07572 [Caenorhabditis remanei]" . . . . . 98.53 283 97.01 98.51 5.23e-36 . . . . 19600 1 14 no SP Q93356 . "RecName: Full=Homeobox protein ceh-37" . . . . . 98.53 278 100.00 100.00 7.47e-38 . . . . 19600 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 1 GLY . 19600 1 2 2 PRO . 19600 1 3 3 ARG . 19600 1 4 4 LYS . 19600 1 5 5 ASN . 19600 1 6 6 ARG . 19600 1 7 7 ARG . 19600 1 8 8 GLU . 19600 1 9 9 ARG . 19600 1 10 10 THR . 19600 1 11 11 THR . 19600 1 12 12 TYR . 19600 1 13 13 SER . 19600 1 14 14 ARG . 19600 1 15 15 GLN . 19600 1 16 16 GLN . 19600 1 17 17 LEU . 19600 1 18 18 GLU . 19600 1 19 19 ILE . 19600 1 20 20 LEU . 19600 1 21 21 GLU . 19600 1 22 22 THR . 19600 1 23 23 LEU . 19600 1 24 24 PHE . 19600 1 25 25 ASN . 19600 1 26 26 GLU . 19600 1 27 27 THR . 19600 1 28 28 GLN . 19600 1 29 29 TYR . 19600 1 30 30 PRO . 19600 1 31 31 ASP . 19600 1 32 32 VAL . 19600 1 33 33 PHE . 19600 1 34 34 ALA . 19600 1 35 35 ARG . 19600 1 36 36 GLU . 19600 1 37 37 ARG . 19600 1 38 38 VAL . 19600 1 39 39 ALA . 19600 1 40 40 ASP . 19600 1 41 41 GLN . 19600 1 42 42 ILE . 19600 1 43 43 ARG . 19600 1 44 44 LEU . 19600 1 45 45 GLN . 19600 1 46 46 GLU . 19600 1 47 47 SER . 19600 1 48 48 ARG . 19600 1 49 49 ILE . 19600 1 50 50 GLN . 19600 1 51 51 VAL . 19600 1 52 52 TRP . 19600 1 53 53 PHE . 19600 1 54 54 LYS . 19600 1 55 55 ASN . 19600 1 56 56 ARG . 19600 1 57 57 ARG . 19600 1 58 58 ALA . 19600 1 59 59 LYS . 19600 1 60 60 TYR . 19600 1 61 61 ARG . 19600 1 62 62 LEU . 19600 1 63 63 GLN . 19600 1 64 64 GLU . 19600 1 65 65 LYS . 19600 1 66 66 GLN . 19600 1 67 67 LYS . 19600 1 68 68 PRO . 19600 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 19600 1 . PRO 2 2 19600 1 . ARG 3 3 19600 1 . LYS 4 4 19600 1 . ASN 5 5 19600 1 . ARG 6 6 19600 1 . ARG 7 7 19600 1 . GLU 8 8 19600 1 . ARG 9 9 19600 1 . THR 10 10 19600 1 . THR 11 11 19600 1 . TYR 12 12 19600 1 . SER 13 13 19600 1 . ARG 14 14 19600 1 . GLN 15 15 19600 1 . GLN 16 16 19600 1 . LEU 17 17 19600 1 . GLU 18 18 19600 1 . ILE 19 19 19600 1 . LEU 20 20 19600 1 . GLU 21 21 19600 1 . THR 22 22 19600 1 . LEU 23 23 19600 1 . PHE 24 24 19600 1 . ASN 25 25 19600 1 . GLU 26 26 19600 1 . THR 27 27 19600 1 . GLN 28 28 19600 1 . TYR 29 29 19600 1 . PRO 30 30 19600 1 . ASP 31 31 19600 1 . VAL 32 32 19600 1 . PHE 33 33 19600 1 . ALA 34 34 19600 1 . ARG 35 35 19600 1 . GLU 36 36 19600 1 . ARG 37 37 19600 1 . VAL 38 38 19600 1 . ALA 39 39 19600 1 . ASP 40 40 19600 1 . GLN 41 41 19600 1 . ILE 42 42 19600 1 . ARG 43 43 19600 1 . LEU 44 44 19600 1 . GLN 45 45 19600 1 . GLU 46 46 19600 1 . SER 47 47 19600 1 . ARG 48 48 19600 1 . ILE 49 49 19600 1 . GLN 50 50 19600 1 . VAL 51 51 19600 1 . TRP 52 52 19600 1 . PHE 53 53 19600 1 . LYS 54 54 19600 1 . ASN 55 55 19600 1 . ARG 56 56 19600 1 . ARG 57 57 19600 1 . ALA 58 58 19600 1 . LYS 59 59 19600 1 . TYR 60 60 19600 1 . ARG 61 61 19600 1 . LEU 62 62 19600 1 . GLN 63 63 19600 1 . GLU 64 64 19600 1 . LYS 65 65 19600 1 . GLN 66 66 19600 1 . LYS 67 67 19600 1 . PRO 68 68 19600 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 19600 _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 $CEH-37_Homeodomain . 6239 organism . 'Caenorhabditis elegans' nematode . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . . . . . . 19600 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 19600 _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 $CEH-37_Homeodomain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET32a . . . . . . 19600 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19600 _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 'CEH-37 Homeodomain' '[U-99% 13C; U-99% 15N]' . . 1 $CEH-37_Homeodomain . . 1 . . mM . . . . 19600 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19600 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19600 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 19600 _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 pH 7.5 . pH 19600 1 temperature 283 . K 19600 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19600 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19600 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19600 1 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 19600 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19600 _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 DRX . 800 . . . 19600 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 19600 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using a combination of NOE and residual dipolar coupling data' 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 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19600 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19600 1 3 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19600 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19600 1 5 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19600 1 6 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19600 1 7 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19600 1 8 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19600 1 9 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19600 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 19600 _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 1 _NMR_spec_expt.Software_label $SPARKY _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 19600 _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 . . . . . . . . . 19600 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19600 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19600 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19600 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 19600 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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' . . . 19600 1 2 '3D CBCA(CO)NH' . . . 19600 1 3 '3D HNCACB' . . . 19600 1 4 '3D HNCO' . . . 19600 1 5 '3D HNCA' . . . 19600 1 6 '3D HBHA(CO)NH' . . . 19600 1 7 '3D 1H-15N NOESY' . . . 19600 1 8 '3D HCCH-TOCSY' . . . 19600 1 9 '3D 1H-13C NOESY' . . . 19600 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 4.234 0.006 . . . . . A 2 PRO HA . 19600 1 2 . 1 1 2 2 PRO HB2 H 1 1.667 0.007 . . . . . A 2 PRO HB2 . 19600 1 3 . 1 1 2 2 PRO HB3 H 1 2.067 0.005 . . . . . A 2 PRO HB3 . 19600 1 4 . 1 1 2 2 PRO HG2 H 1 1.758 0.007 . . . . . A 2 PRO HG2 . 19600 1 5 . 1 1 2 2 PRO HG3 H 1 1.759 0.008 . . . . . A 2 PRO HG3 . 19600 1 6 . 1 1 2 2 PRO HD2 H 1 3.336 0.005 . . . . . A 2 PRO HD2 . 19600 1 7 . 1 1 2 2 PRO HD3 H 1 3.337 0.005 . . . . . A 2 PRO HD3 . 19600 1 8 . 1 1 2 2 PRO CA C 13 63.216 0.113 . . . . . A 2 PRO CA . 19600 1 9 . 1 1 2 2 PRO CB C 13 32.566 0.087 . . . . . A 2 PRO CB . 19600 1 10 . 1 1 2 2 PRO CG C 13 27.325 0.098 . . . . . A 2 PRO CG . 19600 1 11 . 1 1 2 2 PRO CD C 13 49.854 0.074 . . . . . A 2 PRO CD . 19600 1 12 . 1 1 3 3 ARG H H 1 8.377 0.006 . . . . . A 3 ARG H . 19600 1 13 . 1 1 3 3 ARG HA H 1 4.051 0.005 . . . . . A 3 ARG HA . 19600 1 14 . 1 1 3 3 ARG HB2 H 1 1.585 0.004 . . . . . A 3 ARG HB2 . 19600 1 15 . 1 1 3 3 ARG HB3 H 1 1.530 0.003 . . . . . A 3 ARG HB3 . 19600 1 16 . 1 1 3 3 ARG HG2 H 1 1.386 0.004 . . . . . A 3 ARG HG2 . 19600 1 17 . 1 1 3 3 ARG HG3 H 1 1.382 0.000 . . . . . A 3 ARG HG3 . 19600 1 18 . 1 1 3 3 ARG HD2 H 1 2.961 0.007 . . . . . A 3 ARG HD2 . 19600 1 19 . 1 1 3 3 ARG HD3 H 1 2.961 0.007 . . . . . A 3 ARG HD3 . 19600 1 20 . 1 1 3 3 ARG CA C 13 56.508 0.089 . . . . . A 3 ARG CA . 19600 1 21 . 1 1 3 3 ARG CB C 13 30.742 0.064 . . . . . A 3 ARG CB . 19600 1 22 . 1 1 3 3 ARG CG C 13 27.435 0.083 . . . . . A 3 ARG CG . 19600 1 23 . 1 1 3 3 ARG CD C 13 43.684 0.095 . . . . . A 3 ARG CD . 19600 1 24 . 1 1 3 3 ARG N N 15 122.101 0.036 . . . . . A 3 ARG N . 19600 1 25 . 1 1 4 4 LYS H H 1 8.278 0.005 . . . . . A 4 LYS H . 19600 1 26 . 1 1 4 4 LYS HA H 1 4.020 0.005 . . . . . A 4 LYS HA . 19600 1 27 . 1 1 4 4 LYS HB2 H 1 2.129 0.003 . . . . . A 4 LYS HB2 . 19600 1 28 . 1 1 4 4 LYS HB3 H 1 1.527 0.011 . . . . . A 4 LYS HB3 . 19600 1 29 . 1 1 4 4 LYS HG2 H 1 1.187 0.003 . . . . . A 4 LYS HG2 . 19600 1 30 . 1 1 4 4 LYS HG3 H 1 1.153 0.004 . . . . . A 4 LYS HG3 . 19600 1 31 . 1 1 4 4 LYS HD2 H 1 1.435 0.003 . . . . . A 4 LYS HD2 . 19600 1 32 . 1 1 4 4 LYS CA C 13 56.582 0.028 . . . . . A 4 LYS CA . 19600 1 33 . 1 1 4 4 LYS CB C 13 33.202 0.131 . . . . . A 4 LYS CB . 19600 1 34 . 1 1 4 4 LYS CG C 13 25.010 0.000 . . . . . A 4 LYS CG . 19600 1 35 . 1 1 4 4 LYS CD C 13 29.341 0.010 . . . . . A 4 LYS CD . 19600 1 36 . 1 1 4 4 LYS N N 15 123.421 0.056 . . . . . A 4 LYS N . 19600 1 37 . 1 1 5 5 ASN H H 1 8.318 0.003 . . . . . A 5 ASN H . 19600 1 38 . 1 1 5 5 ASN HA H 1 4.420 0.007 . . . . . A 5 ASN HA . 19600 1 39 . 1 1 5 5 ASN HB2 H 1 2.567 0.014 . . . . . A 5 ASN HB2 . 19600 1 40 . 1 1 5 5 ASN HB3 H 1 2.526 0.014 . . . . . A 5 ASN HB3 . 19600 1 41 . 1 1 5 5 ASN CA C 13 53.372 0.115 . . . . . A 5 ASN CA . 19600 1 42 . 1 1 5 5 ASN CB C 13 38.896 0.034 . . . . . A 5 ASN CB . 19600 1 43 . 1 1 5 5 ASN N N 15 120.133 0.036 . . . . . A 5 ASN N . 19600 1 44 . 1 1 6 6 ARG H H 1 8.185 0.003 . . . . . A 6 ARG H . 19600 1 45 . 1 1 6 6 ARG HA H 1 4.039 0.004 . . . . . A 6 ARG HA . 19600 1 46 . 1 1 6 6 ARG HB2 H 1 1.572 0.004 . . . . . A 6 ARG HB2 . 19600 1 47 . 1 1 6 6 ARG HB3 H 1 1.595 0.000 . . . . . A 6 ARG HB3 . 19600 1 48 . 1 1 6 6 ARG HG2 H 1 1.383 0.002 . . . . . A 6 ARG HG2 . 19600 1 49 . 1 1 6 6 ARG HG3 H 1 1.383 0.002 . . . . . A 6 ARG HG3 . 19600 1 50 . 1 1 6 6 ARG HD2 H 1 2.962 0.005 . . . . . A 6 ARG HD2 . 19600 1 51 . 1 1 6 6 ARG HD3 H 1 2.962 0.005 . . . . . A 6 ARG HD3 . 19600 1 52 . 1 1 6 6 ARG CA C 13 56.539 0.078 . . . . . A 6 ARG CA . 19600 1 53 . 1 1 6 6 ARG CB C 13 30.729 0.000 . . . . . A 6 ARG CB . 19600 1 54 . 1 1 6 6 ARG CG C 13 27.364 0.000 . . . . . A 6 ARG CG . 19600 1 55 . 1 1 6 6 ARG CD C 13 43.597 0.009 . . . . . A 6 ARG CD . 19600 1 56 . 1 1 6 6 ARG N N 15 121.990 0.021 . . . . . A 6 ARG N . 19600 1 57 . 1 1 7 7 ARG H H 1 8.237 0.004 . . . . . A 7 ARG H . 19600 1 58 . 1 1 7 7 ARG HA H 1 4.010 0.008 . . . . . A 7 ARG HA . 19600 1 59 . 1 1 7 7 ARG HB2 H 1 1.592 0.003 . . . . . A 7 ARG HB2 . 19600 1 60 . 1 1 7 7 ARG HB3 H 1 1.592 0.003 . . . . . A 7 ARG HB3 . 19600 1 61 . 1 1 7 7 ARG HD2 H 1 2.960 0.000 . . . . . A 7 ARG HD2 . 19600 1 62 . 1 1 7 7 ARG HD3 H 1 2.960 0.000 . . . . . A 7 ARG HD3 . 19600 1 63 . 1 1 7 7 ARG CA C 13 56.473 0.077 . . . . . A 7 ARG CA . 19600 1 64 . 1 1 7 7 ARG CB C 13 30.901 0.042 . . . . . A 7 ARG CB . 19600 1 65 . 1 1 7 7 ARG N N 15 122.520 0.018 . . . . . A 7 ARG N . 19600 1 66 . 1 1 8 8 GLU H H 1 7.971 0.007 . . . . . A 8 GLU H . 19600 1 67 . 1 1 8 8 GLU HA H 1 4.019 0.007 . . . . . A 8 GLU HA . 19600 1 68 . 1 1 8 8 GLU HB2 H 1 1.777 0.005 . . . . . A 8 GLU HB2 . 19600 1 69 . 1 1 8 8 GLU HB3 H 1 1.682 0.004 . . . . . A 8 GLU HB3 . 19600 1 70 . 1 1 8 8 GLU HG2 H 1 2.000 0.003 . . . . . A 8 GLU HG2 . 19600 1 71 . 1 1 8 8 GLU HG3 H 1 1.998 0.004 . . . . . A 8 GLU HG3 . 19600 1 72 . 1 1 8 8 GLU CA C 13 56.546 0.090 . . . . . A 8 GLU CA . 19600 1 73 . 1 1 8 8 GLU CB C 13 30.559 0.045 . . . . . A 8 GLU CB . 19600 1 74 . 1 1 8 8 GLU CG C 13 34.307 0.011 . . . . . A 8 GLU CG . 19600 1 75 . 1 1 8 8 GLU N N 15 121.543 0.079 . . . . . A 8 GLU N . 19600 1 76 . 1 1 9 9 ARG H H 1 8.290 0.004 . . . . . A 9 ARG H . 19600 1 77 . 1 1 9 9 ARG HA H 1 4.151 0.005 . . . . . A 9 ARG HA . 19600 1 78 . 1 1 9 9 ARG HB2 H 1 1.535 0.006 . . . . . A 9 ARG HB2 . 19600 1 79 . 1 1 9 9 ARG HB3 H 1 1.606 0.007 . . . . . A 9 ARG HB3 . 19600 1 80 . 1 1 9 9 ARG HG2 H 1 1.368 0.010 . . . . . A 9 ARG HG2 . 19600 1 81 . 1 1 9 9 ARG HG3 H 1 1.410 0.011 . . . . . A 9 ARG HG3 . 19600 1 82 . 1 1 9 9 ARG HD2 H 1 2.960 0.007 . . . . . A 9 ARG HD2 . 19600 1 83 . 1 1 9 9 ARG HD3 H 1 2.960 0.007 . . . . . A 9 ARG HD3 . 19600 1 84 . 1 1 9 9 ARG CA C 13 56.395 0.121 . . . . . A 9 ARG CA . 19600 1 85 . 1 1 9 9 ARG CB C 13 30.953 0.123 . . . . . A 9 ARG CB . 19600 1 86 . 1 1 9 9 ARG CG C 13 27.330 0.000 . . . . . A 9 ARG CG . 19600 1 87 . 1 1 9 9 ARG CD C 13 43.685 0.109 . . . . . A 9 ARG CD . 19600 1 88 . 1 1 9 9 ARG N N 15 122.730 0.024 . . . . . A 9 ARG N . 19600 1 89 . 1 1 10 10 THR H H 1 8.132 0.004 . . . . . A 10 THR H . 19600 1 90 . 1 1 10 10 THR HA H 1 4.073 0.006 . . . . . A 10 THR HA . 19600 1 91 . 1 1 10 10 THR HB H 1 3.881 0.015 . . . . . A 10 THR HB . 19600 1 92 . 1 1 10 10 THR HG21 H 1 0.844 0.007 . . . . . A 10 THR HG21 . 19600 1 93 . 1 1 10 10 THR HG22 H 1 0.844 0.007 . . . . . A 10 THR HG22 . 19600 1 94 . 1 1 10 10 THR HG23 H 1 0.844 0.007 . . . . . A 10 THR HG23 . 19600 1 95 . 1 1 10 10 THR CA C 13 62.073 0.050 . . . . . A 10 THR CA . 19600 1 96 . 1 1 10 10 THR CB C 13 70.102 0.171 . . . . . A 10 THR CB . 19600 1 97 . 1 1 10 10 THR CG2 C 13 21.762 0.059 . . . . . A 10 THR CG2 . 19600 1 98 . 1 1 10 10 THR N N 15 116.410 0.026 . . . . . A 10 THR N . 19600 1 99 . 1 1 11 11 THR H H 1 7.868 0.005 . . . . . A 11 THR H . 19600 1 100 . 1 1 11 11 THR HA H 1 4.101 0.009 . . . . . A 11 THR HA . 19600 1 101 . 1 1 11 11 THR HB H 1 3.874 0.005 . . . . . A 11 THR HB . 19600 1 102 . 1 1 11 11 THR HG21 H 1 0.830 0.003 . . . . . A 11 THR HG21 . 19600 1 103 . 1 1 11 11 THR HG22 H 1 0.830 0.003 . . . . . A 11 THR HG22 . 19600 1 104 . 1 1 11 11 THR HG23 H 1 0.830 0.003 . . . . . A 11 THR HG23 . 19600 1 105 . 1 1 11 11 THR CA C 13 61.581 0.122 . . . . . A 11 THR CA . 19600 1 106 . 1 1 11 11 THR CB C 13 70.193 0.043 . . . . . A 11 THR CB . 19600 1 107 . 1 1 11 11 THR CG2 C 13 21.696 0.000 . . . . . A 11 THR CG2 . 19600 1 108 . 1 1 11 11 THR N N 15 117.607 0.066 . . . . . A 11 THR N . 19600 1 109 . 1 1 12 12 TYR H H 1 8.053 0.007 . . . . . A 12 TYR H . 19600 1 110 . 1 1 12 12 TYR HA H 1 4.598 0.011 . . . . . A 12 TYR HA . 19600 1 111 . 1 1 12 12 TYR HB2 H 1 2.721 0.004 . . . . . A 12 TYR HB2 . 19600 1 112 . 1 1 12 12 TYR HB3 H 1 2.419 0.009 . . . . . A 12 TYR HB3 . 19600 1 113 . 1 1 12 12 TYR HD1 H 1 8.064 0.000 . . . . . A 12 TYR HD1 . 19600 1 114 . 1 1 12 12 TYR HD2 H 1 8.064 0.000 . . . . . A 12 TYR HD2 . 19600 1 115 . 1 1 12 12 TYR HE2 H 1 6.722 0.007 . . . . . A 12 TYR HE2 . 19600 1 116 . 1 1 12 12 TYR CA C 13 57.101 0.115 . . . . . A 12 TYR CA . 19600 1 117 . 1 1 12 12 TYR CB C 13 40.517 0.154 . . . . . A 12 TYR CB . 19600 1 118 . 1 1 12 12 TYR N N 15 122.200 0.028 . . . . . A 12 TYR N . 19600 1 119 . 1 1 13 13 SER H H 1 8.976 0.003 . . . . . A 13 SER H . 19600 1 120 . 1 1 13 13 SER HA H 1 4.340 0.008 . . . . . A 13 SER HA . 19600 1 121 . 1 1 13 13 SER HB2 H 1 3.738 0.008 . . . . . A 13 SER HB2 . 19600 1 122 . 1 1 13 13 SER HB3 H 1 3.738 0.008 . . . . . A 13 SER HB3 . 19600 1 123 . 1 1 13 13 SER CA C 13 56.906 0.066 . . . . . A 13 SER CA . 19600 1 124 . 1 1 13 13 SER CB C 13 65.860 0.075 . . . . . A 13 SER CB . 19600 1 125 . 1 1 13 13 SER N N 15 119.084 0.036 . . . . . A 13 SER N . 19600 1 126 . 1 1 14 14 ARG H H 1 8.824 0.005 . . . . . A 14 ARG H . 19600 1 127 . 1 1 14 14 ARG HA H 1 3.750 0.005 . . . . . A 14 ARG HA . 19600 1 128 . 1 1 14 14 ARG HB2 H 1 1.591 0.004 . . . . . A 14 ARG HB2 . 19600 1 129 . 1 1 14 14 ARG HB3 H 1 1.490 0.004 . . . . . A 14 ARG HB3 . 19600 1 130 . 1 1 14 14 ARG HG2 H 1 1.372 0.004 . . . . . A 14 ARG HG2 . 19600 1 131 . 1 1 14 14 ARG HG3 H 1 1.167 0.002 . . . . . A 14 ARG HG3 . 19600 1 132 . 1 1 14 14 ARG HD2 H 1 2.994 0.003 . . . . . A 14 ARG HD2 . 19600 1 133 . 1 1 14 14 ARG HD3 H 1 2.990 0.006 . . . . . A 14 ARG HD3 . 19600 1 134 . 1 1 14 14 ARG CA C 13 59.978 0.052 . . . . . A 14 ARG CA . 19600 1 135 . 1 1 14 14 ARG CB C 13 29.445 0.051 . . . . . A 14 ARG CB . 19600 1 136 . 1 1 14 14 ARG CG C 13 27.453 0.019 . . . . . A 14 ARG CG . 19600 1 137 . 1 1 14 14 ARG CD C 13 43.221 0.134 . . . . . A 14 ARG CD . 19600 1 138 . 1 1 14 14 ARG N N 15 121.463 0.033 . . . . . A 14 ARG N . 19600 1 139 . 1 1 15 15 GLN H H 1 8.341 0.003 . . . . . A 15 GLN H . 19600 1 140 . 1 1 15 15 GLN HA H 1 3.817 0.003 . . . . . A 15 GLN HA . 19600 1 141 . 1 1 15 15 GLN HB2 H 1 1.874 0.095 . . . . . A 15 GLN HB2 . 19600 1 142 . 1 1 15 15 GLN HB3 H 1 1.726 0.003 . . . . . A 15 GLN HB3 . 19600 1 143 . 1 1 15 15 GLN HG2 H 1 2.186 0.005 . . . . . A 15 GLN HG2 . 19600 1 144 . 1 1 15 15 GLN HG3 H 1 2.188 0.006 . . . . . A 15 GLN HG3 . 19600 1 145 . 1 1 15 15 GLN CA C 13 59.606 0.082 . . . . . A 15 GLN CA . 19600 1 146 . 1 1 15 15 GLN CB C 13 28.230 0.041 . . . . . A 15 GLN CB . 19600 1 147 . 1 1 15 15 GLN CG C 13 34.424 0.041 . . . . . A 15 GLN CG . 19600 1 148 . 1 1 15 15 GLN N N 15 117.760 0.031 . . . . . A 15 GLN N . 19600 1 149 . 1 1 16 16 GLN H H 1 7.487 0.004 . . . . . A 16 GLN H . 19600 1 150 . 1 1 16 16 GLN HA H 1 3.502 0.007 . . . . . A 16 GLN HA . 19600 1 151 . 1 1 16 16 GLN HB2 H 1 2.363 0.006 . . . . . A 16 GLN HB2 . 19600 1 152 . 1 1 16 16 GLN HB3 H 1 1.322 0.010 . . . . . A 16 GLN HB3 . 19600 1 153 . 1 1 16 16 GLN CA C 13 59.533 0.138 . . . . . A 16 GLN CA . 19600 1 154 . 1 1 16 16 GLN CB C 13 28.430 0.077 . . . . . A 16 GLN CB . 19600 1 155 . 1 1 16 16 GLN N N 15 117.933 0.034 . . . . . A 16 GLN N . 19600 1 156 . 1 1 17 17 LEU H H 1 8.070 0.005 . . . . . A 17 LEU H . 19600 1 157 . 1 1 17 17 LEU HA H 1 3.372 0.007 . . . . . A 17 LEU HA . 19600 1 158 . 1 1 17 17 LEU HB2 H 1 1.261 0.009 . . . . . A 17 LEU HB2 . 19600 1 159 . 1 1 17 17 LEU HB3 H 1 1.561 0.006 . . . . . A 17 LEU HB3 . 19600 1 160 . 1 1 17 17 LEU HG H 1 1.444 0.005 . . . . . A 17 LEU HG . 19600 1 161 . 1 1 17 17 LEU HD11 H 1 0.648 0.005 . . . . . A 17 LEU HD11 . 19600 1 162 . 1 1 17 17 LEU HD12 H 1 0.648 0.005 . . . . . A 17 LEU HD12 . 19600 1 163 . 1 1 17 17 LEU HD13 H 1 0.648 0.005 . . . . . A 17 LEU HD13 . 19600 1 164 . 1 1 17 17 LEU HD21 H 1 0.540 0.006 . . . . . A 17 LEU HD21 . 19600 1 165 . 1 1 17 17 LEU HD22 H 1 0.540 0.006 . . . . . A 17 LEU HD22 . 19600 1 166 . 1 1 17 17 LEU HD23 H 1 0.540 0.006 . . . . . A 17 LEU HD23 . 19600 1 167 . 1 1 17 17 LEU CA C 13 57.761 0.072 . . . . . A 17 LEU CA . 19600 1 168 . 1 1 17 17 LEU CB C 13 41.492 0.059 . . . . . A 17 LEU CB . 19600 1 169 . 1 1 17 17 LEU CG C 13 26.949 0.079 . . . . . A 17 LEU CG . 19600 1 170 . 1 1 17 17 LEU CD1 C 13 24.938 0.000 . . . . . A 17 LEU CD1 . 19600 1 171 . 1 1 17 17 LEU CD2 C 13 23.583 0.078 . . . . . A 17 LEU CD2 . 19600 1 172 . 1 1 17 17 LEU N N 15 117.025 0.052 . . . . . A 17 LEU N . 19600 1 173 . 1 1 18 18 GLU H H 1 7.857 0.011 . . . . . A 18 GLU H . 19600 1 174 . 1 1 18 18 GLU HA H 1 3.730 0.004 . . . . . A 18 GLU HA . 19600 1 175 . 1 1 18 18 GLU HB2 H 1 1.855 0.008 . . . . . A 18 GLU HB2 . 19600 1 176 . 1 1 18 18 GLU HB3 H 1 1.731 0.005 . . . . . A 18 GLU HB3 . 19600 1 177 . 1 1 18 18 GLU HG2 H 1 2.133 0.005 . . . . . A 18 GLU HG2 . 19600 1 178 . 1 1 18 18 GLU HG3 H 1 2.143 0.014 . . . . . A 18 GLU HG3 . 19600 1 179 . 1 1 18 18 GLU CA C 13 59.767 0.093 . . . . . A 18 GLU CA . 19600 1 180 . 1 1 18 18 GLU CB C 13 29.551 0.104 . . . . . A 18 GLU CB . 19600 1 181 . 1 1 18 18 GLU CG C 13 34.071 0.059 . . . . . A 18 GLU CG . 19600 1 182 . 1 1 18 18 GLU N N 15 118.469 0.047 . . . . . A 18 GLU N . 19600 1 183 . 1 1 19 19 ILE H H 1 7.076 0.010 . . . . . A 19 ILE H . 19600 1 184 . 1 1 19 19 ILE HA H 1 3.420 0.006 . . . . . A 19 ILE HA . 19600 1 185 . 1 1 19 19 ILE HB H 1 1.596 0.004 . . . . . A 19 ILE HB . 19600 1 186 . 1 1 19 19 ILE HG12 H 1 1.019 0.005 . . . . . A 19 ILE HG12 . 19600 1 187 . 1 1 19 19 ILE HG13 H 1 1.352 0.003 . . . . . A 19 ILE HG13 . 19600 1 188 . 1 1 19 19 ILE HG21 H 1 0.662 0.007 . . . . . A 19 ILE HG21 . 19600 1 189 . 1 1 19 19 ILE HG22 H 1 0.662 0.007 . . . . . A 19 ILE HG22 . 19600 1 190 . 1 1 19 19 ILE HG23 H 1 0.662 0.007 . . . . . A 19 ILE HG23 . 19600 1 191 . 1 1 19 19 ILE HD11 H 1 0.519 0.009 . . . . . A 19 ILE HD11 . 19600 1 192 . 1 1 19 19 ILE HD12 H 1 0.519 0.009 . . . . . A 19 ILE HD12 . 19600 1 193 . 1 1 19 19 ILE HD13 H 1 0.519 0.009 . . . . . A 19 ILE HD13 . 19600 1 194 . 1 1 19 19 ILE CA C 13 64.537 0.081 . . . . . A 19 ILE CA . 19600 1 195 . 1 1 19 19 ILE CB C 13 37.691 0.129 . . . . . A 19 ILE CB . 19600 1 196 . 1 1 19 19 ILE CG1 C 13 27.460 0.000 . . . . . A 19 ILE CG1 . 19600 1 197 . 1 1 19 19 ILE CG2 C 13 17.472 0.000 . . . . . A 19 ILE CG2 . 19600 1 198 . 1 1 19 19 ILE CD1 C 13 12.890 0.087 . . . . . A 19 ILE CD1 . 19600 1 199 . 1 1 19 19 ILE N N 15 121.154 0.030 . . . . . A 19 ILE N . 19600 1 200 . 1 1 20 20 LEU H H 1 7.600 0.009 . . . . . A 20 LEU H . 19600 1 201 . 1 1 20 20 LEU HA H 1 3.324 0.006 . . . . . A 20 LEU HA . 19600 1 202 . 1 1 20 20 LEU HB2 H 1 0.834 0.008 . . . . . A 20 LEU HB2 . 19600 1 203 . 1 1 20 20 LEU HB3 H 1 0.750 0.002 . . . . . A 20 LEU HB3 . 19600 1 204 . 1 1 20 20 LEU HG H 1 0.566 0.000 . . . . . A 20 LEU HG . 19600 1 205 . 1 1 20 20 LEU HD11 H 1 0.333 0.002 . . . . . A 20 LEU HD11 . 19600 1 206 . 1 1 20 20 LEU HD12 H 1 0.333 0.002 . . . . . A 20 LEU HD12 . 19600 1 207 . 1 1 20 20 LEU HD13 H 1 0.333 0.002 . . . . . A 20 LEU HD13 . 19600 1 208 . 1 1 20 20 LEU HD21 H 1 0.220 0.004 . . . . . A 20 LEU HD21 . 19600 1 209 . 1 1 20 20 LEU HD22 H 1 0.220 0.004 . . . . . A 20 LEU HD22 . 19600 1 210 . 1 1 20 20 LEU HD23 H 1 0.220 0.004 . . . . . A 20 LEU HD23 . 19600 1 211 . 1 1 20 20 LEU CA C 13 58.717 0.069 . . . . . A 20 LEU CA . 19600 1 212 . 1 1 20 20 LEU CB C 13 38.562 0.046 . . . . . A 20 LEU CB . 19600 1 213 . 1 1 20 20 LEU CD2 C 13 23.004 0.127 . . . . . A 20 LEU CD2 . 19600 1 214 . 1 1 20 20 LEU N N 15 122.911 0.033 . . . . . A 20 LEU N . 19600 1 215 . 1 1 21 21 GLU H H 1 8.354 0.006 . . . . . A 21 GLU H . 19600 1 216 . 1 1 21 21 GLU HA H 1 4.012 0.010 . . . . . A 21 GLU HA . 19600 1 217 . 1 1 21 21 GLU HB2 H 1 1.734 0.007 . . . . . A 21 GLU HB2 . 19600 1 218 . 1 1 21 21 GLU HB3 H 1 1.844 0.007 . . . . . A 21 GLU HB3 . 19600 1 219 . 1 1 21 21 GLU HG2 H 1 2.153 0.009 . . . . . A 21 GLU HG2 . 19600 1 220 . 1 1 21 21 GLU HG3 H 1 2.156 0.003 . . . . . A 21 GLU HG3 . 19600 1 221 . 1 1 21 21 GLU CA C 13 58.928 0.092 . . . . . A 21 GLU CA . 19600 1 222 . 1 1 21 21 GLU CB C 13 29.141 0.019 . . . . . A 21 GLU CB . 19600 1 223 . 1 1 21 21 GLU CG C 13 34.114 0.040 . . . . . A 21 GLU CG . 19600 1 224 . 1 1 21 21 GLU N N 15 118.448 0.023 . . . . . A 21 GLU N . 19600 1 225 . 1 1 22 22 THR H H 1 7.703 0.005 . . . . . A 22 THR H . 19600 1 226 . 1 1 22 22 THR HA H 1 3.745 0.008 . . . . . A 22 THR HA . 19600 1 227 . 1 1 22 22 THR HB H 1 4.066 0.005 . . . . . A 22 THR HB . 19600 1 228 . 1 1 22 22 THR HG21 H 1 1.024 0.007 . . . . . A 22 THR HG21 . 19600 1 229 . 1 1 22 22 THR HG22 H 1 1.024 0.007 . . . . . A 22 THR HG22 . 19600 1 230 . 1 1 22 22 THR HG23 H 1 1.024 0.007 . . . . . A 22 THR HG23 . 19600 1 231 . 1 1 22 22 THR CA C 13 67.433 0.088 . . . . . A 22 THR CA . 19600 1 232 . 1 1 22 22 THR CB C 13 68.490 0.030 . . . . . A 22 THR CB . 19600 1 233 . 1 1 22 22 THR N N 15 116.336 0.040 . . . . . A 22 THR N . 19600 1 234 . 1 1 23 23 LEU H H 1 7.501 0.006 . . . . . A 23 LEU H . 19600 1 235 . 1 1 23 23 LEU HA H 1 4.199 0.007 . . . . . A 23 LEU HA . 19600 1 236 . 1 1 23 23 LEU HB2 H 1 1.365 0.011 . . . . . A 23 LEU HB2 . 19600 1 237 . 1 1 23 23 LEU HB3 H 1 2.087 0.006 . . . . . A 23 LEU HB3 . 19600 1 238 . 1 1 23 23 LEU HG H 1 1.546 0.003 . . . . . A 23 LEU HG . 19600 1 239 . 1 1 23 23 LEU HD11 H 1 0.790 0.005 . . . . . A 23 LEU HD11 . 19600 1 240 . 1 1 23 23 LEU HD12 H 1 0.790 0.005 . . . . . A 23 LEU HD12 . 19600 1 241 . 1 1 23 23 LEU HD13 H 1 0.790 0.005 . . . . . A 23 LEU HD13 . 19600 1 242 . 1 1 23 23 LEU HD21 H 1 0.610 0.007 . . . . . A 23 LEU HD21 . 19600 1 243 . 1 1 23 23 LEU HD22 H 1 0.610 0.007 . . . . . A 23 LEU HD22 . 19600 1 244 . 1 1 23 23 LEU HD23 H 1 0.610 0.007 . . . . . A 23 LEU HD23 . 19600 1 245 . 1 1 23 23 LEU CA C 13 58.295 0.067 . . . . . A 23 LEU CA . 19600 1 246 . 1 1 23 23 LEU CB C 13 40.837 0.114 . . . . . A 23 LEU CB . 19600 1 247 . 1 1 23 23 LEU CG C 13 27.209 0.047 . . . . . A 23 LEU CG . 19600 1 248 . 1 1 23 23 LEU CD1 C 13 23.033 0.188 . . . . . A 23 LEU CD1 . 19600 1 249 . 1 1 23 23 LEU CD2 C 13 23.882 0.000 . . . . . A 23 LEU CD2 . 19600 1 250 . 1 1 23 23 LEU N N 15 123.532 0.046 . . . . . A 23 LEU N . 19600 1 251 . 1 1 24 24 PHE H H 1 8.708 0.005 . . . . . A 24 PHE H . 19600 1 252 . 1 1 24 24 PHE HA H 1 4.435 0.005 . . . . . A 24 PHE HA . 19600 1 253 . 1 1 24 24 PHE HB2 H 1 3.045 0.005 . . . . . A 24 PHE HB2 . 19600 1 254 . 1 1 24 24 PHE HB3 H 1 2.949 0.010 . . . . . A 24 PHE HB3 . 19600 1 255 . 1 1 24 24 PHE CA C 13 61.332 0.059 . . . . . A 24 PHE CA . 19600 1 256 . 1 1 24 24 PHE CB C 13 38.978 0.061 . . . . . A 24 PHE CB . 19600 1 257 . 1 1 24 24 PHE N N 15 120.756 0.032 . . . . . A 24 PHE N . 19600 1 258 . 1 1 25 25 ASN H H 1 7.827 0.004 . . . . . A 25 ASN H . 19600 1 259 . 1 1 25 25 ASN HA H 1 4.074 0.003 . . . . . A 25 ASN HA . 19600 1 260 . 1 1 25 25 ASN HB2 H 1 2.690 0.004 . . . . . A 25 ASN HB2 . 19600 1 261 . 1 1 25 25 ASN HB3 H 1 2.620 0.004 . . . . . A 25 ASN HB3 . 19600 1 262 . 1 1 25 25 ASN HD21 H 1 7.824 0.001 . . . . . A 25 ASN HD21 . 19600 1 263 . 1 1 25 25 ASN HD22 H 1 7.526 0.003 . . . . . A 25 ASN HD22 . 19600 1 264 . 1 1 25 25 ASN CA C 13 55.349 0.048 . . . . . A 25 ASN CA . 19600 1 265 . 1 1 25 25 ASN CB C 13 38.800 0.091 . . . . . A 25 ASN CB . 19600 1 266 . 1 1 25 25 ASN N N 15 113.604 0.037 . . . . . A 25 ASN N . 19600 1 267 . 1 1 26 26 GLU H H 1 7.532 0.006 . . . . . A 26 GLU H . 19600 1 268 . 1 1 26 26 GLU HA H 1 3.971 0.008 . . . . . A 26 GLU HA . 19600 1 269 . 1 1 26 26 GLU HB2 H 1 2.068 0.007 . . . . . A 26 GLU HB2 . 19600 1 270 . 1 1 26 26 GLU HB3 H 1 2.003 0.011 . . . . . A 26 GLU HB3 . 19600 1 271 . 1 1 26 26 GLU HG2 H 1 2.181 0.002 . . . . . A 26 GLU HG2 . 19600 1 272 . 1 1 26 26 GLU HG3 H 1 2.178 0.003 . . . . . A 26 GLU HG3 . 19600 1 273 . 1 1 26 26 GLU CA C 13 58.501 0.072 . . . . . A 26 GLU CA . 19600 1 274 . 1 1 26 26 GLU CB C 13 30.088 0.063 . . . . . A 26 GLU CB . 19600 1 275 . 1 1 26 26 GLU CG C 13 33.137 0.000 . . . . . A 26 GLU CG . 19600 1 276 . 1 1 26 26 GLU N N 15 120.985 0.024 . . . . . A 26 GLU N . 19600 1 277 . 1 1 27 27 THR H H 1 8.719 0.007 . . . . . A 27 THR H . 19600 1 278 . 1 1 27 27 THR HA H 1 4.085 0.007 . . . . . A 27 THR HA . 19600 1 279 . 1 1 27 27 THR HB H 1 3.951 0.006 . . . . . A 27 THR HB . 19600 1 280 . 1 1 27 27 THR CA C 13 59.365 0.104 . . . . . A 27 THR CA . 19600 1 281 . 1 1 27 27 THR CB C 13 69.151 0.081 . . . . . A 27 THR CB . 19600 1 282 . 1 1 27 27 THR N N 15 115.986 0.026 . . . . . A 27 THR N . 19600 1 283 . 1 1 28 28 GLN H H 1 7.963 0.003 . . . . . A 28 GLN H . 19600 1 284 . 1 1 28 28 GLN HA H 1 3.654 0.014 . . . . . A 28 GLN HA . 19600 1 285 . 1 1 28 28 GLN HB2 H 1 1.435 0.003 . . . . . A 28 GLN HB2 . 19600 1 286 . 1 1 28 28 GLN HB3 H 1 1.195 0.004 . . . . . A 28 GLN HB3 . 19600 1 287 . 1 1 28 28 GLN CA C 13 57.220 0.078 . . . . . A 28 GLN CA . 19600 1 288 . 1 1 28 28 GLN CB C 13 27.060 0.117 . . . . . A 28 GLN CB . 19600 1 289 . 1 1 28 28 GLN N N 15 122.144 0.041 . . . . . A 28 GLN N . 19600 1 290 . 1 1 29 29 TYR H H 1 7.680 0.003 . . . . . A 29 TYR H . 19600 1 291 . 1 1 29 29 TYR HA H 1 4.429 0.005 . . . . . A 29 TYR HA . 19600 1 292 . 1 1 29 29 TYR HB2 H 1 2.721 0.002 . . . . . A 29 TYR HB2 . 19600 1 293 . 1 1 29 29 TYR HB3 H 1 2.239 0.010 . . . . . A 29 TYR HB3 . 19600 1 294 . 1 1 29 29 TYR HD1 H 1 7.696 0.003 . . . . . A 29 TYR HD1 . 19600 1 295 . 1 1 29 29 TYR HD2 H 1 7.696 0.003 . . . . . A 29 TYR HD2 . 19600 1 296 . 1 1 29 29 TYR HE1 H 1 6.773 0.009 . . . . . A 29 TYR HE1 . 19600 1 297 . 1 1 29 29 TYR HE2 H 1 6.773 0.009 . . . . . A 29 TYR HE2 . 19600 1 298 . 1 1 29 29 TYR CA C 13 55.457 0.081 . . . . . A 29 TYR CA . 19600 1 299 . 1 1 29 29 TYR CB C 13 38.997 0.107 . . . . . A 29 TYR CB . 19600 1 300 . 1 1 29 29 TYR N N 15 114.355 0.101 . . . . . A 29 TYR N . 19600 1 301 . 1 1 30 30 PRO HA H 1 4.074 0.007 . . . . . A 30 PRO HA . 19600 1 302 . 1 1 30 30 PRO HB2 H 1 1.341 0.006 . . . . . A 30 PRO HB2 . 19600 1 303 . 1 1 30 30 PRO HB3 H 1 1.552 0.004 . . . . . A 30 PRO HB3 . 19600 1 304 . 1 1 30 30 PRO HD2 H 1 2.954 0.004 . . . . . A 30 PRO HD2 . 19600 1 305 . 1 1 30 30 PRO HD3 H 1 2.952 0.005 . . . . . A 30 PRO HD3 . 19600 1 306 . 1 1 30 30 PRO CA C 13 62.403 0.115 . . . . . A 30 PRO CA . 19600 1 307 . 1 1 30 30 PRO CB C 13 31.686 0.057 . . . . . A 30 PRO CB . 19600 1 308 . 1 1 30 30 PRO CD C 13 50.787 0.000 . . . . . A 30 PRO CD . 19600 1 309 . 1 1 31 31 ASP H H 1 8.496 0.008 . . . . . A 31 ASP H . 19600 1 310 . 1 1 31 31 ASP HA H 1 4.191 0.006 . . . . . A 31 ASP HA . 19600 1 311 . 1 1 31 31 ASP HB2 H 1 3.001 0.005 . . . . . A 31 ASP HB2 . 19600 1 312 . 1 1 31 31 ASP HB3 H 1 2.576 0.005 . . . . . A 31 ASP HB3 . 19600 1 313 . 1 1 31 31 ASP CA C 13 52.813 0.077 . . . . . A 31 ASP CA . 19600 1 314 . 1 1 31 31 ASP CB C 13 41.087 0.070 . . . . . A 31 ASP CB . 19600 1 315 . 1 1 31 31 ASP N N 15 123.957 0.032 . . . . . A 31 ASP N . 19600 1 316 . 1 1 32 32 VAL H H 1 8.162 0.004 . . . . . A 32 VAL H . 19600 1 317 . 1 1 32 32 VAL HA H 1 3.198 0.006 . . . . . A 32 VAL HA . 19600 1 318 . 1 1 32 32 VAL HB H 1 1.612 0.006 . . . . . A 32 VAL HB . 19600 1 319 . 1 1 32 32 VAL HG11 H 1 0.541 0.006 . . . . . A 32 VAL HG11 . 19600 1 320 . 1 1 32 32 VAL HG12 H 1 0.541 0.006 . . . . . A 32 VAL HG12 . 19600 1 321 . 1 1 32 32 VAL HG13 H 1 0.541 0.006 . . . . . A 32 VAL HG13 . 19600 1 322 . 1 1 32 32 VAL HG21 H 1 0.155 0.005 . . . . . A 32 VAL HG21 . 19600 1 323 . 1 1 32 32 VAL HG22 H 1 0.155 0.005 . . . . . A 32 VAL HG22 . 19600 1 324 . 1 1 32 32 VAL HG23 H 1 0.155 0.005 . . . . . A 32 VAL HG23 . 19600 1 325 . 1 1 32 32 VAL CA C 13 66.250 0.098 . . . . . A 32 VAL CA . 19600 1 326 . 1 1 32 32 VAL CB C 13 31.493 0.066 . . . . . A 32 VAL CB . 19600 1 327 . 1 1 32 32 VAL CG1 C 13 21.806 0.125 . . . . . A 32 VAL CG1 . 19600 1 328 . 1 1 32 32 VAL CG2 C 13 19.153 0.115 . . . . . A 32 VAL CG2 . 19600 1 329 . 1 1 32 32 VAL N N 15 117.950 0.039 . . . . . A 32 VAL N . 19600 1 330 . 1 1 33 33 PHE H H 1 6.841 0.008 . . . . . A 33 PHE H . 19600 1 331 . 1 1 33 33 PHE HA H 1 4.036 0.005 . . . . . A 33 PHE HA . 19600 1 332 . 1 1 33 33 PHE HB2 H 1 2.963 0.006 . . . . . A 33 PHE HB2 . 19600 1 333 . 1 1 33 33 PHE HB3 H 1 2.849 0.005 . . . . . A 33 PHE HB3 . 19600 1 334 . 1 1 33 33 PHE CA C 13 60.514 0.099 . . . . . A 33 PHE CA . 19600 1 335 . 1 1 33 33 PHE CB C 13 37.933 0.072 . . . . . A 33 PHE CB . 19600 1 336 . 1 1 33 33 PHE N N 15 120.199 0.024 . . . . . A 33 PHE N . 19600 1 337 . 1 1 34 34 ALA H H 1 8.139 0.006 . . . . . A 34 ALA H . 19600 1 338 . 1 1 34 34 ALA HA H 1 3.882 0.004 . . . . . A 34 ALA HA . 19600 1 339 . 1 1 34 34 ALA HB1 H 1 1.249 0.009 . . . . . A 34 ALA HB1 . 19600 1 340 . 1 1 34 34 ALA HB2 H 1 1.249 0.009 . . . . . A 34 ALA HB2 . 19600 1 341 . 1 1 34 34 ALA HB3 H 1 1.249 0.009 . . . . . A 34 ALA HB3 . 19600 1 342 . 1 1 34 34 ALA CA C 13 55.142 0.119 . . . . . A 34 ALA CA . 19600 1 343 . 1 1 34 34 ALA CB C 13 18.559 0.034 . . . . . A 34 ALA CB . 19600 1 344 . 1 1 34 34 ALA N N 15 123.742 0.016 . . . . . A 34 ALA N . 19600 1 345 . 1 1 35 35 ARG H H 1 8.281 0.004 . . . . . A 35 ARG H . 19600 1 346 . 1 1 35 35 ARG HA H 1 3.554 0.006 . . . . . A 35 ARG HA . 19600 1 347 . 1 1 35 35 ARG HB2 H 1 1.867 0.008 . . . . . A 35 ARG HB2 . 19600 1 348 . 1 1 35 35 ARG HB3 H 1 1.333 0.006 . . . . . A 35 ARG HB3 . 19600 1 349 . 1 1 35 35 ARG HG2 H 1 1.730 0.007 . . . . . A 35 ARG HG2 . 19600 1 350 . 1 1 35 35 ARG HG3 H 1 1.730 0.007 . . . . . A 35 ARG HG3 . 19600 1 351 . 1 1 35 35 ARG HD2 H 1 2.956 0.004 . . . . . A 35 ARG HD2 . 19600 1 352 . 1 1 35 35 ARG HD3 H 1 2.956 0.004 . . . . . A 35 ARG HD3 . 19600 1 353 . 1 1 35 35 ARG CA C 13 60.747 0.043 . . . . . A 35 ARG CA . 19600 1 354 . 1 1 35 35 ARG CB C 13 31.170 0.036 . . . . . A 35 ARG CB . 19600 1 355 . 1 1 35 35 ARG CG C 13 27.364 0.000 . . . . . A 35 ARG CG . 19600 1 356 . 1 1 35 35 ARG N N 15 116.197 0.025 . . . . . A 35 ARG N . 19600 1 357 . 1 1 36 36 GLU H H 1 8.382 0.007 . . . . . A 36 GLU H . 19600 1 358 . 1 1 36 36 GLU HA H 1 3.697 0.004 . . . . . A 36 GLU HA . 19600 1 359 . 1 1 36 36 GLU HB2 H 1 1.937 0.008 . . . . . A 36 GLU HB2 . 19600 1 360 . 1 1 36 36 GLU HB3 H 1 1.851 0.004 . . . . . A 36 GLU HB3 . 19600 1 361 . 1 1 36 36 GLU HG2 H 1 2.298 0.000 . . . . . A 36 GLU HG2 . 19600 1 362 . 1 1 36 36 GLU HG3 H 1 2.150 0.000 . . . . . A 36 GLU HG3 . 19600 1 363 . 1 1 36 36 GLU CA C 13 59.710 0.036 . . . . . A 36 GLU CA . 19600 1 364 . 1 1 36 36 GLU CB C 13 29.450 0.007 . . . . . A 36 GLU CB . 19600 1 365 . 1 1 36 36 GLU N N 15 119.133 0.034 . . . . . A 36 GLU N . 19600 1 366 . 1 1 37 37 ARG H H 1 7.707 0.006 . . . . . A 37 ARG H . 19600 1 367 . 1 1 37 37 ARG HA H 1 3.912 0.011 . . . . . A 37 ARG HA . 19600 1 368 . 1 1 37 37 ARG HB2 H 1 1.716 0.008 . . . . . A 37 ARG HB2 . 19600 1 369 . 1 1 37 37 ARG HB3 H 1 1.716 0.008 . . . . . A 37 ARG HB3 . 19600 1 370 . 1 1 37 37 ARG HG2 H 1 1.518 0.004 . . . . . A 37 ARG HG2 . 19600 1 371 . 1 1 37 37 ARG HG3 H 1 1.518 0.004 . . . . . A 37 ARG HG3 . 19600 1 372 . 1 1 37 37 ARG HD2 H 1 2.979 0.007 . . . . . A 37 ARG HD2 . 19600 1 373 . 1 1 37 37 ARG HD3 H 1 2.979 0.007 . . . . . A 37 ARG HD3 . 19600 1 374 . 1 1 37 37 ARG CA C 13 59.693 0.102 . . . . . A 37 ARG CA . 19600 1 375 . 1 1 37 37 ARG CB C 13 30.003 0.099 . . . . . A 37 ARG CB . 19600 1 376 . 1 1 37 37 ARG CG C 13 27.343 0.008 . . . . . A 37 ARG CG . 19600 1 377 . 1 1 37 37 ARG CD C 13 43.621 0.050 . . . . . A 37 ARG CD . 19600 1 378 . 1 1 37 37 ARG N N 15 119.597 0.057 . . . . . A 37 ARG N . 19600 1 379 . 1 1 38 38 VAL H H 1 7.630 0.004 . . . . . A 38 VAL H . 19600 1 380 . 1 1 38 38 VAL HA H 1 3.775 0.004 . . . . . A 38 VAL HA . 19600 1 381 . 1 1 38 38 VAL HB H 1 1.844 0.006 . . . . . A 38 VAL HB . 19600 1 382 . 1 1 38 38 VAL HG11 H 1 0.817 0.007 . . . . . A 38 VAL HG11 . 19600 1 383 . 1 1 38 38 VAL HG12 H 1 0.817 0.007 . . . . . A 38 VAL HG12 . 19600 1 384 . 1 1 38 38 VAL HG13 H 1 0.817 0.007 . . . . . A 38 VAL HG13 . 19600 1 385 . 1 1 38 38 VAL HG21 H 1 0.734 0.019 . . . . . A 38 VAL HG21 . 19600 1 386 . 1 1 38 38 VAL HG22 H 1 0.734 0.019 . . . . . A 38 VAL HG22 . 19600 1 387 . 1 1 38 38 VAL HG23 H 1 0.734 0.019 . . . . . A 38 VAL HG23 . 19600 1 388 . 1 1 38 38 VAL CA C 13 65.819 0.100 . . . . . A 38 VAL CA . 19600 1 389 . 1 1 38 38 VAL CB C 13 31.643 0.173 . . . . . A 38 VAL CB . 19600 1 390 . 1 1 38 38 VAL CG1 C 13 24.194 0.093 . . . . . A 38 VAL CG1 . 19600 1 391 . 1 1 38 38 VAL CG2 C 13 22.465 0.079 . . . . . A 38 VAL CG2 . 19600 1 392 . 1 1 38 38 VAL N N 15 119.099 0.022 . . . . . A 38 VAL N . 19600 1 393 . 1 1 39 39 ALA H H 1 8.196 0.008 . . . . . A 39 ALA H . 19600 1 394 . 1 1 39 39 ALA HA H 1 3.691 0.007 . . . . . A 39 ALA HA . 19600 1 395 . 1 1 39 39 ALA HB1 H 1 1.326 0.005 . . . . . A 39 ALA HB1 . 19600 1 396 . 1 1 39 39 ALA HB2 H 1 1.326 0.005 . . . . . A 39 ALA HB2 . 19600 1 397 . 1 1 39 39 ALA HB3 H 1 1.326 0.005 . . . . . A 39 ALA HB3 . 19600 1 398 . 1 1 39 39 ALA CA C 13 56.414 0.030 . . . . . A 39 ALA CA . 19600 1 399 . 1 1 39 39 ALA CB C 13 18.250 0.182 . . . . . A 39 ALA CB . 19600 1 400 . 1 1 39 39 ALA N N 15 124.624 0.033 . . . . . A 39 ALA N . 19600 1 401 . 1 1 40 40 ASP H H 1 7.510 0.006 . . . . . A 40 ASP H . 19600 1 402 . 1 1 40 40 ASP HA H 1 4.197 0.005 . . . . . A 40 ASP HA . 19600 1 403 . 1 1 40 40 ASP HB2 H 1 2.486 0.007 . . . . . A 40 ASP HB2 . 19600 1 404 . 1 1 40 40 ASP HB3 H 1 2.561 0.006 . . . . . A 40 ASP HB3 . 19600 1 405 . 1 1 40 40 ASP CA C 13 56.815 0.067 . . . . . A 40 ASP CA . 19600 1 406 . 1 1 40 40 ASP CB C 13 41.307 0.063 . . . . . A 40 ASP CB . 19600 1 407 . 1 1 40 40 ASP N N 15 115.786 0.057 . . . . . A 40 ASP N . 19600 1 408 . 1 1 41 41 GLN H H 1 7.643 0.007 . . . . . A 41 GLN H . 19600 1 409 . 1 1 41 41 GLN HA H 1 3.835 0.007 . . . . . A 41 GLN HA . 19600 1 410 . 1 1 41 41 GLN HB2 H 1 2.059 0.025 . . . . . A 41 GLN HB2 . 19600 1 411 . 1 1 41 41 GLN HB3 H 1 1.946 0.005 . . . . . A 41 GLN HB3 . 19600 1 412 . 1 1 41 41 GLN HG2 H 1 2.326 0.007 . . . . . A 41 GLN HG2 . 19600 1 413 . 1 1 41 41 GLN HG3 H 1 2.326 0.007 . . . . . A 41 GLN HG3 . 19600 1 414 . 1 1 41 41 GLN CA C 13 59.319 0.108 . . . . . A 41 GLN CA . 19600 1 415 . 1 1 41 41 GLN CB C 13 29.565 0.061 . . . . . A 41 GLN CB . 19600 1 416 . 1 1 41 41 GLN CG C 13 34.679 0.043 . . . . . A 41 GLN CG . 19600 1 417 . 1 1 41 41 GLN N N 15 118.952 0.046 . . . . . A 41 GLN N . 19600 1 418 . 1 1 42 42 ILE H H 1 8.076 0.006 . . . . . A 42 ILE H . 19600 1 419 . 1 1 42 42 ILE HA H 1 4.392 0.008 . . . . . A 42 ILE HA . 19600 1 420 . 1 1 42 42 ILE HB H 1 2.004 0.005 . . . . . A 42 ILE HB . 19600 1 421 . 1 1 42 42 ILE HG12 H 1 1.439 0.004 . . . . . A 42 ILE HG12 . 19600 1 422 . 1 1 42 42 ILE HG13 H 1 1.322 0.009 . . . . . A 42 ILE HG13 . 19600 1 423 . 1 1 42 42 ILE HG21 H 1 0.663 0.005 . . . . . A 42 ILE HG21 . 19600 1 424 . 1 1 42 42 ILE HG22 H 1 0.663 0.005 . . . . . A 42 ILE HG22 . 19600 1 425 . 1 1 42 42 ILE HG23 H 1 0.663 0.005 . . . . . A 42 ILE HG23 . 19600 1 426 . 1 1 42 42 ILE HD11 H 1 0.364 0.006 . . . . . A 42 ILE HD11 . 19600 1 427 . 1 1 42 42 ILE HD12 H 1 0.364 0.006 . . . . . A 42 ILE HD12 . 19600 1 428 . 1 1 42 42 ILE HD13 H 1 0.364 0.006 . . . . . A 42 ILE HD13 . 19600 1 429 . 1 1 42 42 ILE CA C 13 60.792 0.101 . . . . . A 42 ILE CA . 19600 1 430 . 1 1 42 42 ILE CB C 13 38.442 0.121 . . . . . A 42 ILE CB . 19600 1 431 . 1 1 42 42 ILE CG1 C 13 27.151 0.088 . . . . . A 42 ILE CG1 . 19600 1 432 . 1 1 42 42 ILE CG2 C 13 17.472 0.000 . . . . . A 42 ILE CG2 . 19600 1 433 . 1 1 42 42 ILE CD1 C 13 15.271 0.100 . . . . . A 42 ILE CD1 . 19600 1 434 . 1 1 42 42 ILE N N 15 108.381 0.050 . . . . . A 42 ILE N . 19600 1 435 . 1 1 43 43 ARG H H 1 7.588 0.006 . . . . . A 43 ARG H . 19600 1 436 . 1 1 43 43 ARG HA H 1 3.738 0.007 . . . . . A 43 ARG HA . 19600 1 437 . 1 1 43 43 ARG HB2 H 1 1.656 0.005 . . . . . A 43 ARG HB2 . 19600 1 438 . 1 1 43 43 ARG HB3 H 1 1.853 0.008 . . . . . A 43 ARG HB3 . 19600 1 439 . 1 1 43 43 ARG HG2 H 1 1.311 0.006 . . . . . A 43 ARG HG2 . 19600 1 440 . 1 1 43 43 ARG HG3 H 1 1.311 0.006 . . . . . A 43 ARG HG3 . 19600 1 441 . 1 1 43 43 ARG HD2 H 1 2.978 0.015 . . . . . A 43 ARG HD2 . 19600 1 442 . 1 1 43 43 ARG HD3 H 1 2.978 0.015 . . . . . A 43 ARG HD3 . 19600 1 443 . 1 1 43 43 ARG CA C 13 56.823 0.087 . . . . . A 43 ARG CA . 19600 1 444 . 1 1 43 43 ARG CB C 13 26.066 0.094 . . . . . A 43 ARG CB . 19600 1 445 . 1 1 43 43 ARG CG C 13 27.343 0.078 . . . . . A 43 ARG CG . 19600 1 446 . 1 1 43 43 ARG CD C 13 43.635 0.090 . . . . . A 43 ARG CD . 19600 1 447 . 1 1 43 43 ARG N N 15 119.055 0.040 . . . . . A 43 ARG N . 19600 1 448 . 1 1 44 44 LEU H H 1 7.648 0.004 . . . . . A 44 LEU H . 19600 1 449 . 1 1 44 44 LEU HA H 1 4.568 0.006 . . . . . A 44 LEU HA . 19600 1 450 . 1 1 44 44 LEU HB2 H 1 1.027 0.058 . . . . . A 44 LEU HB2 . 19600 1 451 . 1 1 44 44 LEU HB3 H 1 1.203 0.009 . . . . . A 44 LEU HB3 . 19600 1 452 . 1 1 44 44 LEU HG H 1 1.341 0.010 . . . . . A 44 LEU HG . 19600 1 453 . 1 1 44 44 LEU HD11 H 1 0.516 0.007 . . . . . A 44 LEU HD11 . 19600 1 454 . 1 1 44 44 LEU HD12 H 1 0.516 0.007 . . . . . A 44 LEU HD12 . 19600 1 455 . 1 1 44 44 LEU HD13 H 1 0.516 0.007 . . . . . A 44 LEU HD13 . 19600 1 456 . 1 1 44 44 LEU HD21 H 1 0.671 0.021 . . . . . A 44 LEU HD21 . 19600 1 457 . 1 1 44 44 LEU HD22 H 1 0.671 0.021 . . . . . A 44 LEU HD22 . 19600 1 458 . 1 1 44 44 LEU HD23 H 1 0.671 0.021 . . . . . A 44 LEU HD23 . 19600 1 459 . 1 1 44 44 LEU CA C 13 52.996 0.081 . . . . . A 44 LEU CA . 19600 1 460 . 1 1 44 44 LEU CB C 13 47.600 0.142 . . . . . A 44 LEU CB . 19600 1 461 . 1 1 44 44 LEU CG C 13 27.022 0.056 . . . . . A 44 LEU CG . 19600 1 462 . 1 1 44 44 LEU CD1 C 13 23.217 0.000 . . . . . A 44 LEU CD1 . 19600 1 463 . 1 1 44 44 LEU CD2 C 13 24.732 0.089 . . . . . A 44 LEU CD2 . 19600 1 464 . 1 1 44 44 LEU N N 15 119.135 0.047 . . . . . A 44 LEU N . 19600 1 465 . 1 1 45 45 GLN H H 1 8.107 0.003 . . . . . A 45 GLN H . 19600 1 466 . 1 1 45 45 GLN HA H 1 4.065 0.007 . . . . . A 45 GLN HA . 19600 1 467 . 1 1 45 45 GLN HB2 H 1 1.739 0.006 . . . . . A 45 GLN HB2 . 19600 1 468 . 1 1 45 45 GLN HB3 H 1 2.107 0.006 . . . . . A 45 GLN HB3 . 19600 1 469 . 1 1 45 45 GLN HG2 H 1 2.319 0.006 . . . . . A 45 GLN HG2 . 19600 1 470 . 1 1 45 45 GLN HG3 H 1 2.320 0.005 . . . . . A 45 GLN HG3 . 19600 1 471 . 1 1 45 45 GLN CA C 13 56.327 0.026 . . . . . A 45 GLN CA . 19600 1 472 . 1 1 45 45 GLN CB C 13 29.802 0.061 . . . . . A 45 GLN CB . 19600 1 473 . 1 1 45 45 GLN CG C 13 34.724 0.063 . . . . . A 45 GLN CG . 19600 1 474 . 1 1 45 45 GLN N N 15 118.784 0.048 . . . . . A 45 GLN N . 19600 1 475 . 1 1 46 46 GLU H H 1 9.097 0.004 . . . . . A 46 GLU H . 19600 1 476 . 1 1 46 46 GLU HA H 1 3.543 0.008 . . . . . A 46 GLU HA . 19600 1 477 . 1 1 46 46 GLU HB2 H 1 1.976 0.004 . . . . . A 46 GLU HB2 . 19600 1 478 . 1 1 46 46 GLU HB3 H 1 1.749 0.006 . . . . . A 46 GLU HB3 . 19600 1 479 . 1 1 46 46 GLU CA C 13 61.163 0.072 . . . . . A 46 GLU CA . 19600 1 480 . 1 1 46 46 GLU CB C 13 28.636 0.041 . . . . . A 46 GLU CB . 19600 1 481 . 1 1 46 46 GLU N N 15 125.074 0.035 . . . . . A 46 GLU N . 19600 1 482 . 1 1 47 47 SER H H 1 8.533 0.004 . . . . . A 47 SER H . 19600 1 483 . 1 1 47 47 SER HA H 1 3.828 0.027 . . . . . A 47 SER HA . 19600 1 484 . 1 1 47 47 SER HB2 H 1 3.732 0.011 . . . . . A 47 SER HB2 . 19600 1 485 . 1 1 47 47 SER HB3 H 1 3.732 0.011 . . . . . A 47 SER HB3 . 19600 1 486 . 1 1 47 47 SER CA C 13 61.464 0.087 . . . . . A 47 SER CA . 19600 1 487 . 1 1 47 47 SER CB C 13 61.867 0.000 . . . . . A 47 SER CB . 19600 1 488 . 1 1 47 47 SER N N 15 113.706 0.038 . . . . . A 47 SER N . 19600 1 489 . 1 1 48 48 ARG H H 1 7.153 0.010 . . . . . A 48 ARG H . 19600 1 490 . 1 1 48 48 ARG HA H 1 4.048 0.005 . . . . . A 48 ARG HA . 19600 1 491 . 1 1 48 48 ARG HB2 H 1 2.053 0.008 . . . . . A 48 ARG HB2 . 19600 1 492 . 1 1 48 48 ARG HB3 H 1 1.926 0.007 . . . . . A 48 ARG HB3 . 19600 1 493 . 1 1 48 48 ARG HG2 H 1 1.725 0.005 . . . . . A 48 ARG HG2 . 19600 1 494 . 1 1 48 48 ARG HG3 H 1 1.574 0.004 . . . . . A 48 ARG HG3 . 19600 1 495 . 1 1 48 48 ARG HD2 H 1 3.098 0.013 . . . . . A 48 ARG HD2 . 19600 1 496 . 1 1 48 48 ARG HD3 H 1 3.098 0.013 . . . . . A 48 ARG HD3 . 19600 1 497 . 1 1 48 48 ARG CA C 13 58.156 0.070 . . . . . A 48 ARG CA . 19600 1 498 . 1 1 48 48 ARG CB C 13 29.475 0.017 . . . . . A 48 ARG CB . 19600 1 499 . 1 1 48 48 ARG CG C 13 27.330 0.000 . . . . . A 48 ARG CG . 19600 1 500 . 1 1 48 48 ARG CD C 13 43.581 0.061 . . . . . A 48 ARG CD . 19600 1 501 . 1 1 48 48 ARG N N 15 121.795 0.026 . . . . . A 48 ARG N . 19600 1 502 . 1 1 49 49 ILE H H 1 7.613 0.009 . . . . . A 49 ILE H . 19600 1 503 . 1 1 49 49 ILE HA H 1 3.635 0.007 . . . . . A 49 ILE HA . 19600 1 504 . 1 1 49 49 ILE HB H 1 2.221 0.006 . . . . . A 49 ILE HB . 19600 1 505 . 1 1 49 49 ILE HG12 H 1 1.151 0.009 . . . . . A 49 ILE HG12 . 19600 1 506 . 1 1 49 49 ILE HG13 H 1 1.361 0.007 . . . . . A 49 ILE HG13 . 19600 1 507 . 1 1 49 49 ILE HG21 H 1 0.789 0.008 . . . . . A 49 ILE HG21 . 19600 1 508 . 1 1 49 49 ILE HG22 H 1 0.789 0.008 . . . . . A 49 ILE HG22 . 19600 1 509 . 1 1 49 49 ILE HG23 H 1 0.789 0.008 . . . . . A 49 ILE HG23 . 19600 1 510 . 1 1 49 49 ILE HD11 H 1 0.561 0.007 . . . . . A 49 ILE HD11 . 19600 1 511 . 1 1 49 49 ILE HD12 H 1 0.561 0.007 . . . . . A 49 ILE HD12 . 19600 1 512 . 1 1 49 49 ILE HD13 H 1 0.561 0.007 . . . . . A 49 ILE HD13 . 19600 1 513 . 1 1 49 49 ILE CA C 13 64.513 0.107 . . . . . A 49 ILE CA . 19600 1 514 . 1 1 49 49 ILE CB C 13 36.823 0.104 . . . . . A 49 ILE CB . 19600 1 515 . 1 1 49 49 ILE CG1 C 13 27.460 0.000 . . . . . A 49 ILE CG1 . 19600 1 516 . 1 1 49 49 ILE CG2 C 13 18.468 0.121 . . . . . A 49 ILE CG2 . 19600 1 517 . 1 1 49 49 ILE CD1 C 13 12.838 0.094 . . . . . A 49 ILE CD1 . 19600 1 518 . 1 1 49 49 ILE N N 15 121.647 0.050 . . . . . A 49 ILE N . 19600 1 519 . 1 1 50 50 GLN H H 1 8.051 0.006 . . . . . A 50 GLN H . 19600 1 520 . 1 1 50 50 GLN HA H 1 4.133 0.006 . . . . . A 50 GLN HA . 19600 1 521 . 1 1 50 50 GLN HB2 H 1 2.003 0.005 . . . . . A 50 GLN HB2 . 19600 1 522 . 1 1 50 50 GLN HB3 H 1 2.003 0.005 . . . . . A 50 GLN HB3 . 19600 1 523 . 1 1 50 50 GLN HG2 H 1 2.302 0.009 . . . . . A 50 GLN HG2 . 19600 1 524 . 1 1 50 50 GLN HG3 H 1 2.302 0.009 . . . . . A 50 GLN HG3 . 19600 1 525 . 1 1 50 50 GLN CA C 13 60.473 0.114 . . . . . A 50 GLN CA . 19600 1 526 . 1 1 50 50 GLN CB C 13 29.032 0.113 . . . . . A 50 GLN CB . 19600 1 527 . 1 1 50 50 GLN CG C 13 34.216 0.116 . . . . . A 50 GLN CG . 19600 1 528 . 1 1 50 50 GLN N N 15 118.579 0.055 . . . . . A 50 GLN N . 19600 1 529 . 1 1 51 51 VAL H H 1 7.372 0.010 . . . . . A 51 VAL H . 19600 1 530 . 1 1 51 51 VAL HA H 1 3.443 0.006 . . . . . A 51 VAL HA . 19600 1 531 . 1 1 51 51 VAL HB H 1 2.038 0.007 . . . . . A 51 VAL HB . 19600 1 532 . 1 1 51 51 VAL HG11 H 1 0.943 0.028 . . . . . A 51 VAL HG11 . 19600 1 533 . 1 1 51 51 VAL HG12 H 1 0.943 0.028 . . . . . A 51 VAL HG12 . 19600 1 534 . 1 1 51 51 VAL HG13 H 1 0.943 0.028 . . . . . A 51 VAL HG13 . 19600 1 535 . 1 1 51 51 VAL HG21 H 1 0.827 0.011 . . . . . A 51 VAL HG21 . 19600 1 536 . 1 1 51 51 VAL HG22 H 1 0.827 0.011 . . . . . A 51 VAL HG22 . 19600 1 537 . 1 1 51 51 VAL HG23 H 1 0.827 0.011 . . . . . A 51 VAL HG23 . 19600 1 538 . 1 1 51 51 VAL CA C 13 67.087 0.069 . . . . . A 51 VAL CA . 19600 1 539 . 1 1 51 51 VAL CB C 13 32.278 0.124 . . . . . A 51 VAL CB . 19600 1 540 . 1 1 51 51 VAL CG1 C 13 23.280 0.119 . . . . . A 51 VAL CG1 . 19600 1 541 . 1 1 51 51 VAL CG2 C 13 21.764 0.079 . . . . . A 51 VAL CG2 . 19600 1 542 . 1 1 51 51 VAL N N 15 120.580 0.039 . . . . . A 51 VAL N . 19600 1 543 . 1 1 52 52 TRP H H 1 8.135 0.005 . . . . . A 52 TRP H . 19600 1 544 . 1 1 52 52 TRP HA H 1 3.774 0.008 . . . . . A 52 TRP HA . 19600 1 545 . 1 1 52 52 TRP HB2 H 1 3.203 0.004 . . . . . A 52 TRP HB2 . 19600 1 546 . 1 1 52 52 TRP HB3 H 1 3.112 0.005 . . . . . A 52 TRP HB3 . 19600 1 547 . 1 1 52 52 TRP CA C 13 63.502 0.069 . . . . . A 52 TRP CA . 19600 1 548 . 1 1 52 52 TRP CB C 13 28.388 0.099 . . . . . A 52 TRP CB . 19600 1 549 . 1 1 52 52 TRP N N 15 121.485 0.064 . . . . . A 52 TRP N . 19600 1 550 . 1 1 53 53 PHE H H 1 8.764 0.005 . . . . . A 53 PHE H . 19600 1 551 . 1 1 53 53 PHE HA H 1 3.421 0.007 . . . . . A 53 PHE HA . 19600 1 552 . 1 1 53 53 PHE HB2 H 1 3.141 0.004 . . . . . A 53 PHE HB2 . 19600 1 553 . 1 1 53 53 PHE HB3 H 1 2.993 0.005 . . . . . A 53 PHE HB3 . 19600 1 554 . 1 1 53 53 PHE CA C 13 63.987 0.054 . . . . . A 53 PHE CA . 19600 1 555 . 1 1 53 53 PHE CB C 13 39.352 0.096 . . . . . A 53 PHE CB . 19600 1 556 . 1 1 53 53 PHE N N 15 118.122 0.028 . . . . . A 53 PHE N . 19600 1 557 . 1 1 54 54 LYS H H 1 7.947 0.006 . . . . . A 54 LYS H . 19600 1 558 . 1 1 54 54 LYS HA H 1 3.715 0.003 . . . . . A 54 LYS HA . 19600 1 559 . 1 1 54 54 LYS HB2 H 1 1.805 0.006 . . . . . A 54 LYS HB2 . 19600 1 560 . 1 1 54 54 LYS HB3 H 1 1.731 0.006 . . . . . A 54 LYS HB3 . 19600 1 561 . 1 1 54 54 LYS HG2 H 1 1.395 0.007 . . . . . A 54 LYS HG2 . 19600 1 562 . 1 1 54 54 LYS HG3 H 1 1.399 0.004 . . . . . A 54 LYS HG3 . 19600 1 563 . 1 1 54 54 LYS HD2 H 1 1.497 0.003 . . . . . A 54 LYS HD2 . 19600 1 564 . 1 1 54 54 LYS HD3 H 1 1.494 0.002 . . . . . A 54 LYS HD3 . 19600 1 565 . 1 1 54 54 LYS CA C 13 60.677 0.065 . . . . . A 54 LYS CA . 19600 1 566 . 1 1 54 54 LYS CB C 13 32.191 0.066 . . . . . A 54 LYS CB . 19600 1 567 . 1 1 54 54 LYS CG C 13 25.477 0.070 . . . . . A 54 LYS CG . 19600 1 568 . 1 1 54 54 LYS CD C 13 29.920 0.048 . . . . . A 54 LYS CD . 19600 1 569 . 1 1 54 54 LYS N N 15 120.838 0.026 . . . . . A 54 LYS N . 19600 1 570 . 1 1 55 55 ASN H H 1 7.953 0.005 . . . . . A 55 ASN H . 19600 1 571 . 1 1 55 55 ASN HA H 1 4.121 0.004 . . . . . A 55 ASN HA . 19600 1 572 . 1 1 55 55 ASN HB2 H 1 2.427 0.005 . . . . . A 55 ASN HB2 . 19600 1 573 . 1 1 55 55 ASN HB3 H 1 2.233 0.008 . . . . . A 55 ASN HB3 . 19600 1 574 . 1 1 55 55 ASN HD22 H 1 7.947 0.007 . . . . . A 55 ASN HD22 . 19600 1 575 . 1 1 55 55 ASN CA C 13 55.695 0.109 . . . . . A 55 ASN CA . 19600 1 576 . 1 1 55 55 ASN CB C 13 37.740 0.105 . . . . . A 55 ASN CB . 19600 1 577 . 1 1 55 55 ASN N N 15 118.986 0.044 . . . . . A 55 ASN N . 19600 1 578 . 1 1 56 56 ARG H H 1 8.263 0.006 . . . . . A 56 ARG H . 19600 1 579 . 1 1 56 56 ARG HA H 1 3.282 0.005 . . . . . A 56 ARG HA . 19600 1 580 . 1 1 56 56 ARG HB2 H 1 1.705 0.003 . . . . . A 56 ARG HB2 . 19600 1 581 . 1 1 56 56 ARG HB3 H 1 1.523 0.008 . . . . . A 56 ARG HB3 . 19600 1 582 . 1 1 56 56 ARG HG3 H 1 1.386 0.008 . . . . . A 56 ARG HG3 . 19600 1 583 . 1 1 56 56 ARG HD2 H 1 3.008 0.004 . . . . . A 56 ARG HD2 . 19600 1 584 . 1 1 56 56 ARG CA C 13 56.848 0.128 . . . . . A 56 ARG CA . 19600 1 585 . 1 1 56 56 ARG CB C 13 27.672 0.077 . . . . . A 56 ARG CB . 19600 1 586 . 1 1 56 56 ARG CD C 13 43.552 0.000 . . . . . A 56 ARG CD . 19600 1 587 . 1 1 56 56 ARG N N 15 124.991 0.036 . . . . . A 56 ARG N . 19600 1 588 . 1 1 57 57 ARG H H 1 8.343 0.004 . . . . . A 57 ARG H . 19600 1 589 . 1 1 57 57 ARG HA H 1 3.789 0.008 . . . . . A 57 ARG HA . 19600 1 590 . 1 1 57 57 ARG HB2 H 1 1.597 0.009 . . . . . A 57 ARG HB2 . 19600 1 591 . 1 1 57 57 ARG HB3 H 1 1.921 0.002 . . . . . A 57 ARG HB3 . 19600 1 592 . 1 1 57 57 ARG CA C 13 61.179 0.064 . . . . . A 57 ARG CA . 19600 1 593 . 1 1 57 57 ARG CB C 13 31.525 0.028 . . . . . A 57 ARG CB . 19600 1 594 . 1 1 57 57 ARG N N 15 120.173 0.029 . . . . . A 57 ARG N . 19600 1 595 . 1 1 58 58 ALA H H 1 7.179 0.009 . . . . . A 58 ALA H . 19600 1 596 . 1 1 58 58 ALA HA H 1 3.911 0.004 . . . . . A 58 ALA HA . 19600 1 597 . 1 1 58 58 ALA HB1 H 1 1.275 0.006 . . . . . A 58 ALA HB1 . 19600 1 598 . 1 1 58 58 ALA HB2 H 1 1.275 0.006 . . . . . A 58 ALA HB2 . 19600 1 599 . 1 1 58 58 ALA HB3 H 1 1.275 0.006 . . . . . A 58 ALA HB3 . 19600 1 600 . 1 1 58 58 ALA CA C 13 55.341 0.050 . . . . . A 58 ALA CA . 19600 1 601 . 1 1 58 58 ALA CB C 13 17.776 0.194 . . . . . A 58 ALA CB . 19600 1 602 . 1 1 58 58 ALA N N 15 121.602 0.043 . . . . . A 58 ALA N . 19600 1 603 . 1 1 59 59 LYS H H 1 7.463 0.004 . . . . . A 59 LYS H . 19600 1 604 . 1 1 59 59 LYS HA H 1 3.730 0.005 . . . . . A 59 LYS HA . 19600 1 605 . 1 1 59 59 LYS HB2 H 1 1.491 0.004 . . . . . A 59 LYS HB2 . 19600 1 606 . 1 1 59 59 LYS HB3 H 1 1.807 0.005 . . . . . A 59 LYS HB3 . 19600 1 607 . 1 1 59 59 LYS HD2 H 1 1.753 0.006 . . . . . A 59 LYS HD2 . 19600 1 608 . 1 1 59 59 LYS CA C 13 59.325 0.078 . . . . . A 59 LYS CA . 19600 1 609 . 1 1 59 59 LYS CB C 13 32.573 0.068 . . . . . A 59 LYS CB . 19600 1 610 . 1 1 59 59 LYS CD C 13 29.633 0.061 . . . . . A 59 LYS CD . 19600 1 611 . 1 1 59 59 LYS N N 15 119.515 0.038 . . . . . A 59 LYS N . 19600 1 612 . 1 1 60 60 TYR H H 1 7.874 0.005 . . . . . A 60 TYR H . 19600 1 613 . 1 1 60 60 TYR HA H 1 4.160 0.005 . . . . . A 60 TYR HA . 19600 1 614 . 1 1 60 60 TYR HB2 H 1 2.885 0.079 . . . . . A 60 TYR HB2 . 19600 1 615 . 1 1 60 60 TYR HB3 H 1 3.181 0.005 . . . . . A 60 TYR HB3 . 19600 1 616 . 1 1 60 60 TYR HD1 H 1 7.023 0.014 . . . . . A 60 TYR HD1 . 19600 1 617 . 1 1 60 60 TYR HD2 H 1 7.023 0.014 . . . . . A 60 TYR HD2 . 19600 1 618 . 1 1 60 60 TYR CA C 13 61.014 0.141 . . . . . A 60 TYR CA . 19600 1 619 . 1 1 60 60 TYR CB C 13 38.810 0.147 . . . . . A 60 TYR CB . 19600 1 620 . 1 1 60 60 TYR N N 15 120.152 0.034 . . . . . A 60 TYR N . 19600 1 621 . 1 1 61 61 ARG H H 1 7.943 0.005 . . . . . A 61 ARG H . 19600 1 622 . 1 1 61 61 ARG HA H 1 3.831 0.006 . . . . . A 61 ARG HA . 19600 1 623 . 1 1 61 61 ARG HB2 H 1 1.728 0.005 . . . . . A 61 ARG HB2 . 19600 1 624 . 1 1 61 61 ARG HB3 H 1 1.728 0.005 . . . . . A 61 ARG HB3 . 19600 1 625 . 1 1 61 61 ARG CA C 13 59.199 0.152 . . . . . A 61 ARG CA . 19600 1 626 . 1 1 61 61 ARG CB C 13 30.310 0.072 . . . . . A 61 ARG CB . 19600 1 627 . 1 1 61 61 ARG N N 15 118.122 0.064 . . . . . A 61 ARG N . 19600 1 628 . 1 1 62 62 LEU H H 1 7.407 0.006 . . . . . A 62 LEU H . 19600 1 629 . 1 1 62 62 LEU HA H 1 3.930 0.005 . . . . . A 62 LEU HA . 19600 1 630 . 1 1 62 62 LEU HB2 H 1 1.519 0.005 . . . . . A 62 LEU HB2 . 19600 1 631 . 1 1 62 62 LEU HB3 H 1 1.418 0.004 . . . . . A 62 LEU HB3 . 19600 1 632 . 1 1 62 62 LEU HG H 1 1.335 0.004 . . . . . A 62 LEU HG . 19600 1 633 . 1 1 62 62 LEU HD11 H 1 0.639 0.004 . . . . . A 62 LEU HD11 . 19600 1 634 . 1 1 62 62 LEU HD12 H 1 0.639 0.004 . . . . . A 62 LEU HD12 . 19600 1 635 . 1 1 62 62 LEU HD13 H 1 0.639 0.004 . . . . . A 62 LEU HD13 . 19600 1 636 . 1 1 62 62 LEU HD21 H 1 0.616 0.004 . . . . . A 62 LEU HD21 . 19600 1 637 . 1 1 62 62 LEU HD22 H 1 0.616 0.004 . . . . . A 62 LEU HD22 . 19600 1 638 . 1 1 62 62 LEU HD23 H 1 0.616 0.004 . . . . . A 62 LEU HD23 . 19600 1 639 . 1 1 62 62 LEU CA C 13 57.121 0.111 . . . . . A 62 LEU CA . 19600 1 640 . 1 1 62 62 LEU CB C 13 42.109 0.070 . . . . . A 62 LEU CB . 19600 1 641 . 1 1 62 62 LEU CG C 13 26.932 0.000 . . . . . A 62 LEU CG . 19600 1 642 . 1 1 62 62 LEU CD1 C 13 24.369 0.000 . . . . . A 62 LEU CD1 . 19600 1 643 . 1 1 62 62 LEU CD2 C 13 23.320 0.000 . . . . . A 62 LEU CD2 . 19600 1 644 . 1 1 62 62 LEU N N 15 119.191 0.046 . . . . . A 62 LEU N . 19600 1 645 . 1 1 63 63 GLN H H 1 7.676 0.006 . . . . . A 63 GLN H . 19600 1 646 . 1 1 63 63 GLN HA H 1 3.873 0.006 . . . . . A 63 GLN HA . 19600 1 647 . 1 1 63 63 GLN HB2 H 1 1.800 0.007 . . . . . A 63 GLN HB2 . 19600 1 648 . 1 1 63 63 GLN HB3 H 1 1.800 0.007 . . . . . A 63 GLN HB3 . 19600 1 649 . 1 1 63 63 GLN HG2 H 1 2.197 0.010 . . . . . A 63 GLN HG2 . 19600 1 650 . 1 1 63 63 GLN HG3 H 1 2.072 0.004 . . . . . A 63 GLN HG3 . 19600 1 651 . 1 1 63 63 GLN CA C 13 57.338 0.115 . . . . . A 63 GLN CA . 19600 1 652 . 1 1 63 63 GLN CB C 13 28.871 0.078 . . . . . A 63 GLN CB . 19600 1 653 . 1 1 63 63 GLN CG C 13 34.226 0.046 . . . . . A 63 GLN CG . 19600 1 654 . 1 1 63 63 GLN N N 15 118.201 0.040 . . . . . A 63 GLN N . 19600 1 655 . 1 1 64 64 GLU H H 1 7.808 0.008 . . . . . A 64 GLU H . 19600 1 656 . 1 1 64 64 GLU HA H 1 3.800 0.005 . . . . . A 64 GLU HA . 19600 1 657 . 1 1 64 64 GLU HB2 H 1 1.715 0.004 . . . . . A 64 GLU HB2 . 19600 1 658 . 1 1 64 64 GLU HB3 H 1 1.596 0.005 . . . . . A 64 GLU HB3 . 19600 1 659 . 1 1 64 64 GLU CA C 13 57.503 0.121 . . . . . A 64 GLU CA . 19600 1 660 . 1 1 64 64 GLU CB C 13 30.187 0.231 . . . . . A 64 GLU CB . 19600 1 661 . 1 1 64 64 GLU N N 15 120.152 0.056 . . . . . A 64 GLU N . 19600 1 662 . 1 1 65 65 LYS H H 1 7.695 0.004 . . . . . A 65 LYS H . 19600 1 663 . 1 1 65 65 LYS HA H 1 3.986 0.005 . . . . . A 65 LYS HA . 19600 1 664 . 1 1 65 65 LYS HB2 H 1 1.988 0.005 . . . . . A 65 LYS HB2 . 19600 1 665 . 1 1 65 65 LYS HB3 H 1 1.637 0.005 . . . . . A 65 LYS HB3 . 19600 1 666 . 1 1 65 65 LYS HG2 H 1 1.214 0.007 . . . . . A 65 LYS HG2 . 19600 1 667 . 1 1 65 65 LYS HD2 H 1 1.684 0.108 . . . . . A 65 LYS HD2 . 19600 1 668 . 1 1 65 65 LYS CA C 13 56.871 0.074 . . . . . A 65 LYS CA . 19600 1 669 . 1 1 65 65 LYS CB C 13 32.473 0.135 . . . . . A 65 LYS CB . 19600 1 670 . 1 1 65 65 LYS CG C 13 24.961 0.070 . . . . . A 65 LYS CG . 19600 1 671 . 1 1 65 65 LYS N N 15 120.364 0.034 . . . . . A 65 LYS N . 19600 1 672 . 1 1 66 66 GLN H H 1 7.906 0.008 . . . . . A 66 GLN H . 19600 1 673 . 1 1 66 66 GLN HA H 1 4.028 0.005 . . . . . A 66 GLN HA . 19600 1 674 . 1 1 66 66 GLN HB2 H 1 1.847 0.003 . . . . . A 66 GLN HB2 . 19600 1 675 . 1 1 66 66 GLN HB3 H 1 1.733 0.005 . . . . . A 66 GLN HB3 . 19600 1 676 . 1 1 66 66 GLN HG2 H 1 2.131 0.007 . . . . . A 66 GLN HG2 . 19600 1 677 . 1 1 66 66 GLN HG3 H 1 2.133 0.007 . . . . . A 66 GLN HG3 . 19600 1 678 . 1 1 66 66 GLN CA C 13 55.796 0.091 . . . . . A 66 GLN CA . 19600 1 679 . 1 1 66 66 GLN CB C 13 29.299 0.013 . . . . . A 66 GLN CB . 19600 1 680 . 1 1 66 66 GLN CG C 13 34.114 0.128 . . . . . A 66 GLN CG . 19600 1 681 . 1 1 66 66 GLN N N 15 120.265 0.066 . . . . . A 66 GLN N . 19600 1 682 . 1 1 67 67 LYS H H 1 7.963 0.003 . . . . . A 67 LYS H . 19600 1 683 . 1 1 67 67 LYS HA H 1 4.316 0.004 . . . . . A 67 LYS HA . 19600 1 684 . 1 1 67 67 LYS HB2 H 1 1.618 0.004 . . . . . A 67 LYS HB2 . 19600 1 685 . 1 1 67 67 LYS HB3 H 1 1.511 0.003 . . . . . A 67 LYS HB3 . 19600 1 686 . 1 1 67 67 LYS HG2 H 1 1.271 0.002 . . . . . A 67 LYS HG2 . 19600 1 687 . 1 1 67 67 LYS HG3 H 1 1.229 0.003 . . . . . A 67 LYS HG3 . 19600 1 688 . 1 1 67 67 LYS HD2 H 1 1.471 0.006 . . . . . A 67 LYS HD2 . 19600 1 689 . 1 1 67 67 LYS HD3 H 1 1.438 0.038 . . . . . A 67 LYS HD3 . 19600 1 690 . 1 1 67 67 LYS CA C 13 54.596 0.087 . . . . . A 67 LYS CA . 19600 1 691 . 1 1 67 67 LYS CB C 13 32.457 0.064 . . . . . A 67 LYS CB . 19600 1 692 . 1 1 67 67 LYS CG C 13 24.747 0.000 . . . . . A 67 LYS CG . 19600 1 693 . 1 1 67 67 LYS CD C 13 29.434 0.095 . . . . . A 67 LYS CD . 19600 1 694 . 1 1 67 67 LYS N N 15 124.357 0.026 . . . . . A 67 LYS N . 19600 1 stop_ save_