data_5955 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5955 _Entry.Title ; Backbone and sidechain assignment of human VASP EVH2 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-09-18 _Entry.Accession_date 2003-09-18 _Entry.Last_release_date 2003-12-19 _Entry.Original_release_date 2003-12-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Juergen Zimmermann . . . 5955 2 Hartmut Oschkinat . . . 5955 3 Linda Ball . J. . 5955 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5955 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 148 5955 '15N chemical shifts' 49 5955 '1H chemical shifts' 270 5955 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 . . 2003-12-19 2003-09-18 original author . 5955 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5955 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12220179 _Citation.Full_citation . _Citation.Title ; Relaxation, equilibrium oligomerization and molecular symmetry of the VASP (336-380) EVH2 tetramer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 37 _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 11143 _Citation.Page_last 11151 _Citation.Year 2002 _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 Juergen Zimmermann . . . 5955 1 2 Dirk Labudde . . . 5955 1 3 Thomas Jarchau . . . 5955 1 4 Ulrich Walter . . . 5955 1 5 Hartmut Oschkinat . . . 5955 1 6 Linda Ball . J. . 5955 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'coiled coil' 5955 1 EVH2 5955 1 Tetramer 5955 1 VASP 5955 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_VASP_EVH2_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode VASP_EVH2_domain _Assembly.Entry_ID 5955 _Assembly.ID 1 _Assembly.Name 'VASP EVH2 domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 21152 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID tetramer 5955 1 stop_ 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 'VASP EVH2 domain, chain 1' 1 $Spred2 . . . native . . 1 . . 5955 1 2 'VASP EVH2 domain, chain 2' 1 $Spred2 . . . native . . 1 . . 5955 1 3 'VASP EVH2 domain, chain 3' 1 $Spred2 . . . native . . 1 . . 5955 1 4 'VASP EVH2 domain, chain 4' 1 $Spred2 . . . native . . 1 . . 5955 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . SwissProt P50552 . . . . . ; Molecule studied comprises aa 336-380 of SP entry Q50552, additional GS at N-terminus from Thromnib cleavage site. ; 5955 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'VASP EVH2 domain' abbreviation 5955 1 'VASP EVH2 domain' system 5955 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Actin dynamics' 5955 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Spred2 _Entity.Sf_category entity _Entity.Sf_framecode Spred2 _Entity.Entry_ID 5955 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human VASP EVH2 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSPSSSDYSDLQRVKQELLE EVKKELQKVKEEIIEAFVQE LRKRGSP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5288 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'mass for tetramer given' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1USD . "Human Vasp Tetramerisation Domain L352m" . . . . . 95.74 45 97.78 100.00 1.98e-20 . . . . 5955 1 2 no PDB 1USE . "Human Vasp Tetramerisation Domain" . . . . . 95.74 45 100.00 100.00 1.33e-20 . . . . 5955 1 3 no DBJ BAG37336 . "unnamed protein product [Homo sapiens]" . . . . . 97.87 380 97.83 100.00 2.47e-16 . . . . 5955 1 4 no DBJ BAJ21098 . "vasodilator-stimulated phosphoprotein [synthetic construct]" . . . . . 97.87 380 97.83 100.00 2.47e-16 . . . . 5955 1 5 no EMBL CAA67147 . "vasodilator-stimulated phosphoprotein [Homo sapiens]" . . . . . 97.87 378 97.83 100.00 2.41e-16 . . . . 5955 1 6 no EMBL CAA86523 . "vasodilator-stimulated phosphoprotein (VASP) [Homo sapiens]" . . . . . 97.87 380 97.83 100.00 2.47e-16 . . . . 5955 1 7 no GB AAH26019 . "Vasodilator-stimulated phosphoprotein [Homo sapiens]" . . . . . 97.87 380 97.83 100.00 1.97e-16 . . . . 5955 1 8 no GB AAH38224 . "Vasodilator-stimulated phosphoprotein [Homo sapiens]" . . . . . 97.87 380 97.83 100.00 2.47e-16 . . . . 5955 1 9 no GB AIC59345 . "VASP, partial [synthetic construct]" . . . . . 97.87 380 97.83 100.00 1.97e-16 . . . . 5955 1 10 no GB EAW57362 . "vasodilator-stimulated phosphoprotein, isoform CRA_a [Homo sapiens]" . . . . . 97.87 380 97.83 100.00 2.47e-16 . . . . 5955 1 11 no GB EAW57363 . "vasodilator-stimulated phosphoprotein, isoform CRA_b [Homo sapiens]" . . . . . 97.87 367 97.83 100.00 1.43e-20 . . . . 5955 1 12 no REF NP_003361 . "vasodilator-stimulated phosphoprotein [Homo sapiens]" . . . . . 97.87 380 97.83 100.00 2.47e-16 . . . . 5955 1 13 no REF XP_003817563 . "PREDICTED: vasodilator-stimulated phosphoprotein isoform X1 [Pan paniscus]" . . . . . 97.87 380 97.83 100.00 2.05e-20 . . . . 5955 1 14 no REF XP_005259256 . "PREDICTED: vasodilator-stimulated phosphoprotein isoform X1 [Homo sapiens]" . . . . . 97.87 379 97.83 100.00 1.85e-16 . . . . 5955 1 15 no REF XP_005259257 . "PREDICTED: vasodilator-stimulated phosphoprotein isoform X2 [Homo sapiens]" . . . . . 97.87 379 97.83 100.00 1.85e-16 . . . . 5955 1 16 no REF XP_008968979 . "PREDICTED: vasodilator-stimulated phosphoprotein isoform X2 [Pan paniscus]" . . . . . 97.87 379 97.83 100.00 1.83e-16 . . . . 5955 1 17 no SP P50552 . "RecName: Full=Vasodilator-stimulated phosphoprotein; Short=VASP [Homo sapiens]" . . . . . 97.87 380 97.83 100.00 2.47e-16 . . . . 5955 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Human VASP EVH2 domain' common 5955 1 Spred2 abbreviation 5955 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 . GLY . 5955 1 2 . SER . 5955 1 3 . PRO . 5955 1 4 . SER . 5955 1 5 . SER . 5955 1 6 . SER . 5955 1 7 . ASP . 5955 1 8 . TYR . 5955 1 9 . SER . 5955 1 10 . ASP . 5955 1 11 . LEU . 5955 1 12 . GLN . 5955 1 13 . ARG . 5955 1 14 . VAL . 5955 1 15 . LYS . 5955 1 16 . GLN . 5955 1 17 . GLU . 5955 1 18 . LEU . 5955 1 19 . LEU . 5955 1 20 . GLU . 5955 1 21 . GLU . 5955 1 22 . VAL . 5955 1 23 . LYS . 5955 1 24 . LYS . 5955 1 25 . GLU . 5955 1 26 . LEU . 5955 1 27 . GLN . 5955 1 28 . LYS . 5955 1 29 . VAL . 5955 1 30 . LYS . 5955 1 31 . GLU . 5955 1 32 . GLU . 5955 1 33 . ILE . 5955 1 34 . ILE . 5955 1 35 . GLU . 5955 1 36 . ALA . 5955 1 37 . PHE . 5955 1 38 . VAL . 5955 1 39 . GLN . 5955 1 40 . GLU . 5955 1 41 . LEU . 5955 1 42 . ARG . 5955 1 43 . LYS . 5955 1 44 . ARG . 5955 1 45 . GLY . 5955 1 46 . SER . 5955 1 47 . PRO . 5955 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 5955 1 . SER 2 2 5955 1 . PRO 3 3 5955 1 . SER 4 4 5955 1 . SER 5 5 5955 1 . SER 6 6 5955 1 . ASP 7 7 5955 1 . TYR 8 8 5955 1 . SER 9 9 5955 1 . ASP 10 10 5955 1 . LEU 11 11 5955 1 . GLN 12 12 5955 1 . ARG 13 13 5955 1 . VAL 14 14 5955 1 . LYS 15 15 5955 1 . GLN 16 16 5955 1 . GLU 17 17 5955 1 . LEU 18 18 5955 1 . LEU 19 19 5955 1 . GLU 20 20 5955 1 . GLU 21 21 5955 1 . VAL 22 22 5955 1 . LYS 23 23 5955 1 . LYS 24 24 5955 1 . GLU 25 25 5955 1 . LEU 26 26 5955 1 . GLN 27 27 5955 1 . LYS 28 28 5955 1 . VAL 29 29 5955 1 . LYS 30 30 5955 1 . GLU 31 31 5955 1 . GLU 32 32 5955 1 . ILE 33 33 5955 1 . ILE 34 34 5955 1 . GLU 35 35 5955 1 . ALA 36 36 5955 1 . PHE 37 37 5955 1 . VAL 38 38 5955 1 . GLN 39 39 5955 1 . GLU 40 40 5955 1 . LEU 41 41 5955 1 . ARG 42 42 5955 1 . LYS 43 43 5955 1 . ARG 44 44 5955 1 . GLY 45 45 5955 1 . SER 46 46 5955 1 . PRO 47 47 5955 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 5955 _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 $Spred2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5955 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 5955 _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 $Spred2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5955 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5955 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Human VASP EVH2 domain' [U-15N] . . 1 $Spred2 . . 4.5 . . mM . . . . 5955 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 5955 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Human VASP EVH2 domain' '[U-15N; U-13C]' . . 1 $Spred2 . . 4.0 . . mM . . . . 5955 2 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_1 _Sample_condition_list.Entry_ID 5955 _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 6.0 0.05 n/a 5955 1 temperature 300 2 K 5955 1 stop_ save_ ############################ # Computer software used # ############################ save_Bruker_XWINNMR _Software.Sf_category software _Software.Sf_framecode Bruker_XWINNMR _Software.Entry_ID 5955 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 5955 1 processing 5955 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 5955 _Software.ID 2 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 5955 2 'spectra handling' 5955 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5955 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5955 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5955 _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 NMR_spectrometer_1 Bruker DMX . 750 . . . 5955 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5955 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 5955 _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 15N-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5955 1 2 13C-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5955 1 3 13C-HMQC-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5955 1 4 CBCACONNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5955 1 5 CBCANNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5955 1 6 15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5955 1 7 15N-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5955 1 8 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5955 1 9 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5955 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5955 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-NOESY-HSQC _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5955 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-NOESY-HSQC _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5955 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 13C-HMQC-NOESY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5955 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONNH _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5955 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCANNH _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5955 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 15N-HSQC _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5955 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 15N-TOCSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5955 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNHA _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5955 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5955 _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 0.0 . indirect 0.251449530 . . . . . . . . . 5955 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5955 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5955 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5955 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $Sample_1 . 5955 1 . . 2 $Sample_2 . 5955 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 1 1 GLY N N 15 108.7 0.1 . 1 . . . . . . . . 5955 1 2 . 1 1 1 1 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5955 1 3 . 1 1 1 1 GLY HA2 H 1 4.02 0.03 . 1 . . . . . . . . 5955 1 4 . 1 1 1 1 GLY HA3 H 1 4.02 0.03 . 1 . . . . . . . . 5955 1 5 . 1 1 1 1 GLY C C 13 176.8 0.1 . 1 . . . . . . . . 5955 1 6 . 1 1 2 2 SER N N 15 119.7 0.1 . 1 . . . . . . . . 5955 1 7 . 1 1 2 2 SER H H 1 7.86 0.03 . 1 . . . . . . . . 5955 1 8 . 1 1 2 2 SER CA C 13 56.5 0.1 . 1 . . . . . . . . 5955 1 9 . 1 1 2 2 SER HA H 1 4.37 0.03 . 1 . . . . . . . . 5955 1 10 . 1 1 2 2 SER HB2 H 1 2.59 0.03 . 1 . . . . . . . . 5955 1 11 . 1 1 2 2 SER HB3 H 1 2.59 0.03 . 1 . . . . . . . . 5955 1 12 . 1 1 3 3 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 5955 1 13 . 1 1 3 3 PRO CB C 13 34.5 0.1 . 1 . . . . . . . . 5955 1 14 . 1 1 4 4 SER N N 15 117.9 0.1 . 1 . . . . . . . . 5955 1 15 . 1 1 4 4 SER H H 1 8.78 0.03 . 1 . . . . . . . . 5955 1 16 . 1 1 4 4 SER CA C 13 58.7 0.1 . 1 . . . . . . . . 5955 1 17 . 1 1 4 4 SER HA H 1 4.77 0.03 . 1 . . . . . . . . 5955 1 18 . 1 1 4 4 SER CB C 13 64.1 0.1 . 1 . . . . . . . . 5955 1 19 . 1 1 4 4 SER HB2 H 1 3.97 0.03 . 1 . . . . . . . . 5955 1 20 . 1 1 4 4 SER HB3 H 1 3.97 0.03 . 1 . . . . . . . . 5955 1 21 . 1 1 4 4 SER C C 13 176.6 0.1 . 1 . . . . . . . . 5955 1 22 . 1 1 5 5 SER N N 15 117.9 0.1 . 1 . . . . . . . . 5955 1 23 . 1 1 5 5 SER H H 1 8.51 0.03 . 1 . . . . . . . . 5955 1 24 . 1 1 5 5 SER CA C 13 58.3 0.1 . 1 . . . . . . . . 5955 1 25 . 1 1 5 5 SER HA H 1 4.53 0.03 . 1 . . . . . . . . 5955 1 26 . 1 1 5 5 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5955 1 27 . 1 1 5 5 SER HB2 H 1 3.95 0.03 . 1 . . . . . . . . 5955 1 28 . 1 1 5 5 SER HB3 H 1 3.95 0.03 . 1 . . . . . . . . 5955 1 29 . 1 1 5 5 SER C C 13 174.8 0.1 . 1 . . . . . . . . 5955 1 30 . 1 1 6 6 SER N N 15 117.8 0.1 . 1 . . . . . . . . 5955 1 31 . 1 1 6 6 SER H H 1 8.41 0.03 . 1 . . . . . . . . 5955 1 32 . 1 1 6 6 SER CA C 13 58.6 0.1 . 1 . . . . . . . . 5955 1 33 . 1 1 6 6 SER HA H 1 4.50 0.03 . 1 . . . . . . . . 5955 1 34 . 1 1 6 6 SER CB C 13 64.0 0.1 . 1 . . . . . . . . 5955 1 35 . 1 1 6 6 SER HB2 H 1 3.89 0.03 . 1 . . . . . . . . 5955 1 36 . 1 1 6 6 SER HB3 H 1 3.89 0.03 . 1 . . . . . . . . 5955 1 37 . 1 1 6 6 SER C C 13 174.8 0.1 . 1 . . . . . . . . 5955 1 38 . 1 1 7 7 ASP N N 15 122.4 0.1 . 1 . . . . . . . . 5955 1 39 . 1 1 7 7 ASP H H 1 7.73 0.03 . 1 . . . . . . . . 5955 1 40 . 1 1 7 7 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 5955 1 41 . 1 1 7 7 ASP HA H 1 4.62 0.03 . 1 . . . . . . . . 5955 1 42 . 1 1 7 7 ASP CB C 13 41.2 0.1 . 1 . . . . . . . . 5955 1 43 . 1 1 7 7 ASP HB2 H 1 2.67 0.03 . 1 . . . . . . . . 5955 1 44 . 1 1 7 7 ASP HB3 H 1 2.67 0.03 . 1 . . . . . . . . 5955 1 45 . 1 1 7 7 ASP C C 13 174.2 0.1 . 1 . . . . . . . . 5955 1 46 . 1 1 8 8 TYR N N 15 121.2 0.1 . 1 . . . . . . . . 5955 1 47 . 1 1 8 8 TYR H H 1 7.32 0.03 . 1 . . . . . . . . 5955 1 48 . 1 1 8 8 TYR CA C 13 58.9 0.1 . 1 . . . . . . . . 5955 1 49 . 1 1 8 8 TYR HA H 1 4.45 0.03 . 1 . . . . . . . . 5955 1 50 . 1 1 8 8 TYR CB C 13 38.6 0.1 . 1 . . . . . . . . 5955 1 51 . 1 1 8 8 TYR HB2 H 1 3.05 0.03 . 1 . . . . . . . . 5955 1 52 . 1 1 8 8 TYR HB3 H 1 3.05 0.03 . 1 . . . . . . . . 5955 1 53 . 1 1 8 8 TYR HD1 H 1 7.07 0.03 . 1 . . . . . . . . 5955 1 54 . 1 1 8 8 TYR HD2 H 1 7.07 0.03 . 1 . . . . . . . . 5955 1 55 . 1 1 8 8 TYR CD1 C 13 133.0 0.1 . 1 . . . . . . . . 5955 1 56 . 1 1 8 8 TYR CD2 C 13 133.0 0.1 . 1 . . . . . . . . 5955 1 57 . 1 1 8 8 TYR C C 13 176.4 0.1 . 1 . . . . . . . . 5955 1 58 . 1 1 9 9 SER N N 15 116.7 0.1 . 1 . . . . . . . . 5955 1 59 . 1 1 9 9 SER H H 1 8.31 0.03 . 1 . . . . . . . . 5955 1 60 . 1 1 9 9 SER CA C 13 60.0 0.1 . 1 . . . . . . . . 5955 1 61 . 1 1 9 9 SER HA H 1 4.29 0.03 . 1 . . . . . . . . 5955 1 62 . 1 1 9 9 SER CB C 13 63.5 0.1 . 1 . . . . . . . . 5955 1 63 . 1 1 9 9 SER HB2 H 1 3.93 0.03 . 2 . . . . . . . . 5955 1 64 . 1 1 9 9 SER HB3 H 1 4.07 0.03 . 2 . . . . . . . . 5955 1 65 . 1 1 9 9 SER C C 13 176.5 0.1 . 1 . . . . . . . . 5955 1 66 . 1 1 10 10 ASP N N 15 122.9 0.1 . 1 . . . . . . . . 5955 1 67 . 1 1 10 10 ASP H H 1 8.48 0.03 . 1 . . . . . . . . 5955 1 68 . 1 1 10 10 ASP CA C 13 57.0 0.1 . 1 . . . . . . . . 5955 1 69 . 1 1 10 10 ASP HA H 1 4.53 0.03 . 1 . . . . . . . . 5955 1 70 . 1 1 10 10 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 5955 1 71 . 1 1 10 10 ASP HB2 H 1 2.67 0.03 . 2 . . . . . . . . 5955 1 72 . 1 1 10 10 ASP HB3 H 1 2.78 0.03 . 2 . . . . . . . . 5955 1 73 . 1 1 10 10 ASP C C 13 175.9 0.1 . 1 . . . . . . . . 5955 1 74 . 1 1 11 11 LEU N N 15 120.4 0.1 . 1 . . . . . . . . 5955 1 75 . 1 1 11 11 LEU H H 1 8.11 0.03 . 1 . . . . . . . . 5955 1 76 . 1 1 11 11 LEU CA C 13 58.0 0.1 . 1 . . . . . . . . 5955 1 77 . 1 1 11 11 LEU HA H 1 3.96 0.03 . 1 . . . . . . . . 5955 1 78 . 1 1 11 11 LEU CB C 13 41.9 0.1 . 1 . . . . . . . . 5955 1 79 . 1 1 11 11 LEU HB2 H 1 1.56 0.03 . 2 . . . . . . . . 5955 1 80 . 1 1 11 11 LEU HB3 H 1 1.71 0.03 . 2 . . . . . . . . 5955 1 81 . 1 1 11 11 LEU HD11 H 1 0.84 0.03 . 1 . . . . . . . . 5955 1 82 . 1 1 11 11 LEU HD12 H 1 0.84 0.03 . 1 . . . . . . . . 5955 1 83 . 1 1 11 11 LEU HD13 H 1 0.84 0.03 . 1 . . . . . . . . 5955 1 84 . 1 1 11 11 LEU HD21 H 1 0.84 0.03 . 1 . . . . . . . . 5955 1 85 . 1 1 11 11 LEU HD22 H 1 0.84 0.03 . 1 . . . . . . . . 5955 1 86 . 1 1 11 11 LEU HD23 H 1 0.84 0.03 . 1 . . . . . . . . 5955 1 87 . 1 1 11 11 LEU CD1 C 13 24.1 0.1 . 1 . . . . . . . . 5955 1 88 . 1 1 11 11 LEU CD2 C 13 24.1 0.1 . 1 . . . . . . . . 5955 1 89 . 1 1 11 11 LEU C C 13 177.8 0.1 . 1 . . . . . . . . 5955 1 90 . 1 1 12 12 GLN N N 15 117.4 0.1 . 1 . . . . . . . . 5955 1 91 . 1 1 12 12 GLN H H 1 8.02 0.03 . 1 . . . . . . . . 5955 1 92 . 1 1 12 12 GLN CA C 13 58.8 0.1 . 1 . . . . . . . . 5955 1 93 . 1 1 12 12 GLN HA H 1 3.87 0.03 . 1 . . . . . . . . 5955 1 94 . 1 1 12 12 GLN CB C 13 27.7 0.1 . 1 . . . . . . . . 5955 1 95 . 1 1 12 12 GLN HB2 H 1 2.05 0.03 . 2 . . . . . . . . 5955 1 96 . 1 1 12 12 GLN HB3 H 1 2.06 0.03 . 2 . . . . . . . . 5955 1 97 . 1 1 12 12 GLN CG C 13 33.7 0.1 . 1 . . . . . . . . 5955 1 98 . 1 1 12 12 GLN HG2 H 1 2.25 0.03 . 2 . . . . . . . . 5955 1 99 . 1 1 12 12 GLN HG3 H 1 2.28 0.03 . 2 . . . . . . . . 5955 1 100 . 1 1 12 12 GLN NE2 N 15 112.7 0.1 . 1 . . . . . . . . 5955 1 101 . 1 1 12 12 GLN HE21 H 1 7.22 0.03 . 2 . . . . . . . . 5955 1 102 . 1 1 12 12 GLN HE22 H 1 7.15 0.03 . 2 . . . . . . . . 5955 1 103 . 1 1 12 12 GLN C C 13 178.3 0.1 . 1 . . . . . . . . 5955 1 104 . 1 1 13 13 ARG N N 15 120.3 0.1 . 1 . . . . . . . . 5955 1 105 . 1 1 13 13 ARG H H 1 7.93 0.03 . 1 . . . . . . . . 5955 1 106 . 1 1 13 13 ARG CA C 13 59.5 0.1 . 1 . . . . . . . . 5955 1 107 . 1 1 13 13 ARG HA H 1 4.08 0.03 . 1 . . . . . . . . 5955 1 108 . 1 1 13 13 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 5955 1 109 . 1 1 13 13 ARG HB2 H 1 2.01 0.03 . 1 . . . . . . . . 5955 1 110 . 1 1 13 13 ARG HB3 H 1 2.01 0.03 . 1 . . . . . . . . 5955 1 111 . 1 1 13 13 ARG C C 13 178.6 0.1 . 1 . . . . . . . . 5955 1 112 . 1 1 14 14 VAL N N 15 119.4 0.1 . 1 . . . . . . . . 5955 1 113 . 1 1 14 14 VAL H H 1 8.02 0.03 . 1 . . . . . . . . 5955 1 114 . 1 1 14 14 VAL CA C 13 66.6 0.1 . 1 . . . . . . . . 5955 1 115 . 1 1 14 14 VAL HA H 1 3.72 0.03 . 1 . . . . . . . . 5955 1 116 . 1 1 14 14 VAL CB C 13 31.2 0.1 . 1 . . . . . . . . 5955 1 117 . 1 1 14 14 VAL HB H 1 2.14 0.03 . 1 . . . . . . . . 5955 1 118 . 1 1 14 14 VAL HG11 H 1 1.02 0.03 . 1 . . . . . . . . 5955 1 119 . 1 1 14 14 VAL HG12 H 1 1.02 0.03 . 1 . . . . . . . . 5955 1 120 . 1 1 14 14 VAL HG13 H 1 1.02 0.03 . 1 . . . . . . . . 5955 1 121 . 1 1 14 14 VAL HG21 H 1 1.02 0.03 . 1 . . . . . . . . 5955 1 122 . 1 1 14 14 VAL HG22 H 1 1.02 0.03 . 1 . . . . . . . . 5955 1 123 . 1 1 14 14 VAL HG23 H 1 1.02 0.03 . 1 . . . . . . . . 5955 1 124 . 1 1 14 14 VAL C C 13 178.7 0.1 . 1 . . . . . . . . 5955 1 125 . 1 1 15 15 LYS N N 15 120.5 0.1 . 1 . . . . . . . . 5955 1 126 . 1 1 15 15 LYS H H 1 8.23 0.03 . 1 . . . . . . . . 5955 1 127 . 1 1 15 15 LYS CA C 13 60.4 0.1 . 1 . . . . . . . . 5955 1 128 . 1 1 15 15 LYS HA H 1 3.72 0.03 . 1 . . . . . . . . 5955 1 129 . 1 1 15 15 LYS CB C 13 31.4 0.1 . 1 . . . . . . . . 5955 1 130 . 1 1 15 15 LYS HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5955 1 131 . 1 1 15 15 LYS HB3 H 1 1.82 0.03 . 1 . . . . . . . . 5955 1 132 . 1 1 15 15 LYS HG2 H 1 1.31 0.03 . 1 . . . . . . . . 5955 1 133 . 1 1 15 15 LYS HG3 H 1 1.31 0.03 . 1 . . . . . . . . 5955 1 134 . 1 1 15 15 LYS HD2 H 1 1.50 0.03 . 1 . . . . . . . . 5955 1 135 . 1 1 15 15 LYS HD3 H 1 1.50 0.03 . 1 . . . . . . . . 5955 1 136 . 1 1 15 15 LYS C C 13 177.2 0.1 . 1 . . . . . . . . 5955 1 137 . 1 1 16 16 GLN N N 15 117.4 0.1 . 1 . . . . . . . . 5955 1 138 . 1 1 16 16 GLN H H 1 7.92 0.03 . 1 . . . . . . . . 5955 1 139 . 1 1 16 16 GLN CA C 13 58.8 0.1 . 1 . . . . . . . . 5955 1 140 . 1 1 16 16 GLN HA H 1 4.02 0.03 . 1 . . . . . . . . 5955 1 141 . 1 1 16 16 GLN CB C 13 28.1 0.1 . 1 . . . . . . . . 5955 1 142 . 1 1 16 16 GLN HB2 H 1 2.23 0.03 . 1 . . . . . . . . 5955 1 143 . 1 1 16 16 GLN HB3 H 1 2.23 0.03 . 1 . . . . . . . . 5955 1 144 . 1 1 16 16 GLN CG C 13 33.4 0.1 . 1 . . . . . . . . 5955 1 145 . 1 1 16 16 GLN HG2 H 1 2.52 0.03 . 1 . . . . . . . . 5955 1 146 . 1 1 16 16 GLN HG3 H 1 2.52 0.03 . 1 . . . . . . . . 5955 1 147 . 1 1 16 16 GLN NE2 N 15 111.5 0.1 . 1 . . . . . . . . 5955 1 148 . 1 1 16 16 GLN HE21 H 1 7.61 0.03 . 2 . . . . . . . . 5955 1 149 . 1 1 16 16 GLN HE22 H 1 6.77 0.03 . 2 . . . . . . . . 5955 1 150 . 1 1 16 16 GLN C C 13 177.2 0.1 . 1 . . . . . . . . 5955 1 151 . 1 1 17 17 GLU N N 15 119.6 0.1 . 1 . . . . . . . . 5955 1 152 . 1 1 17 17 GLU H H 1 8.40 0.03 . 1 . . . . . . . . 5955 1 153 . 1 1 17 17 GLU CA C 13 59.5 0.1 . 1 . . . . . . . . 5955 1 154 . 1 1 17 17 GLU HA H 1 4.08 0.03 . 1 . . . . . . . . 5955 1 155 . 1 1 17 17 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 5955 1 156 . 1 1 17 17 GLU HB2 H 1 2.23 0.03 . 2 . . . . . . . . 5955 1 157 . 1 1 17 17 GLU HB3 H 1 2.41 0.03 . 2 . . . . . . . . 5955 1 158 . 1 1 17 17 GLU C C 13 178.8 0.1 . 1 . . . . . . . . 5955 1 159 . 1 1 18 18 LEU N N 15 119.1 0.1 . 1 . . . . . . . . 5955 1 160 . 1 1 18 18 LEU H H 1 8.68 0.03 . 1 . . . . . . . . 5955 1 161 . 1 1 18 18 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 5955 1 162 . 1 1 18 18 LEU HA H 1 4.01 0.03 . 1 . . . . . . . . 5955 1 163 . 1 1 18 18 LEU CB C 13 42.5 0.1 . 1 . . . . . . . . 5955 1 164 . 1 1 18 18 LEU HB2 H 1 1.62 0.03 . 2 . . . . . . . . 5955 1 165 . 1 1 18 18 LEU HB3 H 1 1.88 0.03 . 2 . . . . . . . . 5955 1 166 . 1 1 18 18 LEU HD11 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 167 . 1 1 18 18 LEU HD12 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 168 . 1 1 18 18 LEU HD13 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 169 . 1 1 18 18 LEU HD21 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 170 . 1 1 18 18 LEU HD22 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 171 . 1 1 18 18 LEU HD23 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 172 . 1 1 18 18 LEU C C 13 179.5 0.1 . 1 . . . . . . . . 5955 1 173 . 1 1 19 19 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 5955 1 174 . 1 1 19 19 LEU H H 1 8.28 0.03 . 1 . . . . . . . . 5955 1 175 . 1 1 19 19 LEU CA C 13 58.4 0.1 . 1 . . . . . . . . 5955 1 176 . 1 1 19 19 LEU HA H 1 3.87 0.03 . 1 . . . . . . . . 5955 1 177 . 1 1 19 19 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5955 1 178 . 1 1 19 19 LEU HB2 H 1 1.74 0.03 . 1 . . . . . . . . 5955 1 179 . 1 1 19 19 LEU HB3 H 1 1.74 0.03 . 1 . . . . . . . . 5955 1 180 . 1 1 19 19 LEU HD11 H 1 0.89 0.03 . 1 . . . . . . . . 5955 1 181 . 1 1 19 19 LEU HD12 H 1 0.89 0.03 . 1 . . . . . . . . 5955 1 182 . 1 1 19 19 LEU HD13 H 1 0.89 0.03 . 1 . . . . . . . . 5955 1 183 . 1 1 19 19 LEU HD21 H 1 0.89 0.03 . 1 . . . . . . . . 5955 1 184 . 1 1 19 19 LEU HD22 H 1 0.89 0.03 . 1 . . . . . . . . 5955 1 185 . 1 1 19 19 LEU HD23 H 1 0.89 0.03 . 1 . . . . . . . . 5955 1 186 . 1 1 19 19 LEU C C 13 178.5 0.1 . 1 . . . . . . . . 5955 1 187 . 1 1 20 20 GLU N N 15 118.1 0.1 . 1 . . . . . . . . 5955 1 188 . 1 1 20 20 GLU H H 1 8.21 0.03 . 1 . . . . . . . . 5955 1 189 . 1 1 20 20 GLU CA C 13 58.7 0.1 . 1 . . . . . . . . 5955 1 190 . 1 1 20 20 GLU HA H 1 4.02 0.03 . 1 . . . . . . . . 5955 1 191 . 1 1 20 20 GLU CB C 13 29.2 0.1 . 1 . . . . . . . . 5955 1 192 . 1 1 20 20 GLU HB2 H 1 2.00 0.03 . 2 . . . . . . . . 5955 1 193 . 1 1 20 20 GLU HB3 H 1 2.18 0.03 . 2 . . . . . . . . 5955 1 194 . 1 1 20 20 GLU CG C 13 36.0 0.1 . 1 . . . . . . . . 5955 1 195 . 1 1 20 20 GLU HG2 H 1 2.42 0.03 . 1 . . . . . . . . 5955 1 196 . 1 1 20 20 GLU HG3 H 1 2.42 0.03 . 1 . . . . . . . . 5955 1 197 . 1 1 20 20 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 5955 1 198 . 1 1 21 21 GLU N N 15 118.7 0.1 . 1 . . . . . . . . 5955 1 199 . 1 1 21 21 GLU H H 1 8.09 0.03 . 1 . . . . . . . . 5955 1 200 . 1 1 21 21 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 5955 1 201 . 1 1 21 21 GLU HA H 1 4.18 0.03 . 1 . . . . . . . . 5955 1 202 . 1 1 21 21 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . 5955 1 203 . 1 1 21 21 GLU HB2 H 1 1.86 0.03 . 2 . . . . . . . . 5955 1 204 . 1 1 21 21 GLU HB3 H 1 2.18 0.03 . 2 . . . . . . . . 5955 1 205 . 1 1 21 21 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 5955 1 206 . 1 1 22 22 VAL N N 15 120.8 0.1 . 1 . . . . . . . . 5955 1 207 . 1 1 22 22 VAL H H 1 8.84 0.03 . 1 . . . . . . . . 5955 1 208 . 1 1 22 22 VAL CA C 13 67.6 0.1 . 1 . . . . . . . . 5955 1 209 . 1 1 22 22 VAL HA H 1 3.45 0.03 . 1 . . . . . . . . 5955 1 210 . 1 1 22 22 VAL CB C 13 31.1 0.1 . 1 . . . . . . . . 5955 1 211 . 1 1 22 22 VAL HB H 1 2.25 0.03 . 1 . . . . . . . . 5955 1 212 . 1 1 22 22 VAL HG11 H 1 0.96 0.03 . 1 . . . . . . . . 5955 1 213 . 1 1 22 22 VAL HG12 H 1 0.96 0.03 . 1 . . . . . . . . 5955 1 214 . 1 1 22 22 VAL HG13 H 1 0.96 0.03 . 1 . . . . . . . . 5955 1 215 . 1 1 22 22 VAL HG21 H 1 0.96 0.03 . 1 . . . . . . . . 5955 1 216 . 1 1 22 22 VAL HG22 H 1 0.96 0.03 . 1 . . . . . . . . 5955 1 217 . 1 1 22 22 VAL HG23 H 1 0.96 0.03 . 1 . . . . . . . . 5955 1 218 . 1 1 22 22 VAL C C 13 179.8 0.1 . 1 . . . . . . . . 5955 1 219 . 1 1 23 23 LYS N N 15 119.5 0.1 . 1 . . . . . . . . 5955 1 220 . 1 1 23 23 LYS H H 1 8.64 0.03 . 1 . . . . . . . . 5955 1 221 . 1 1 23 23 LYS CA C 13 61.6 0.1 . 1 . . . . . . . . 5955 1 222 . 1 1 23 23 LYS HA H 1 3.81 0.03 . 1 . . . . . . . . 5955 1 223 . 1 1 23 23 LYS CB C 13 30.9 0.1 . 1 . . . . . . . . 5955 1 224 . 1 1 23 23 LYS HB2 H 1 1.94 0.03 . 1 . . . . . . . . 5955 1 225 . 1 1 23 23 LYS HB3 H 1 1.94 0.03 . 1 . . . . . . . . 5955 1 226 . 1 1 23 23 LYS C C 13 177.7 0.1 . 1 . . . . . . . . 5955 1 227 . 1 1 24 24 LYS N N 15 119.1 0.1 . 1 . . . . . . . . 5955 1 228 . 1 1 24 24 LYS H H 1 7.71 0.03 . 1 . . . . . . . . 5955 1 229 . 1 1 24 24 LYS CA C 13 59.8 0.1 . 1 . . . . . . . . 5955 1 230 . 1 1 24 24 LYS HA H 1 4.05 0.03 . 1 . . . . . . . . 5955 1 231 . 1 1 24 24 LYS CB C 13 32.5 0.1 . 1 . . . . . . . . 5955 1 232 . 1 1 24 24 LYS HB2 H 1 1.94 0.03 . 2 . . . . . . . . 5955 1 233 . 1 1 24 24 LYS HB3 H 1 2.03 0.03 . 2 . . . . . . . . 5955 1 234 . 1 1 24 24 LYS CG C 13 25.2 0.1 . 1 . . . . . . . . 5955 1 235 . 1 1 24 24 LYS HG2 H 1 1.70 0.03 . 1 . . . . . . . . 5955 1 236 . 1 1 24 24 LYS HG3 H 1 1.70 0.03 . 1 . . . . . . . . 5955 1 237 . 1 1 24 24 LYS C C 13 179.1 0.1 . 1 . . . . . . . . 5955 1 238 . 1 1 25 25 GLU N N 15 120.5 0.1 . 1 . . . . . . . . 5955 1 239 . 1 1 25 25 GLU H H 1 8.06 0.03 . 1 . . . . . . . . 5955 1 240 . 1 1 25 25 GLU CA C 13 58.5 0.1 . 1 . . . . . . . . 5955 1 241 . 1 1 25 25 GLU HA H 1 4.15 0.03 . 1 . . . . . . . . 5955 1 242 . 1 1 25 25 GLU CB C 13 28.6 0.1 . 1 . . . . . . . . 5955 1 243 . 1 1 25 25 GLU HB2 H 1 2.02 0.03 . 1 . . . . . . . . 5955 1 244 . 1 1 25 25 GLU HB3 H 1 2.02 0.03 . 1 . . . . . . . . 5955 1 245 . 1 1 25 25 GLU HG2 H 1 2.46 0.03 . 1 . . . . . . . . 5955 1 246 . 1 1 25 25 GLU HG3 H 1 2.46 0.03 . 1 . . . . . . . . 5955 1 247 . 1 1 25 25 GLU C C 13 179.8 0.1 . 1 . . . . . . . . 5955 1 248 . 1 1 26 26 LEU N N 15 119.8 0.1 . 1 . . . . . . . . 5955 1 249 . 1 1 26 26 LEU H H 1 8.74 0.03 . 1 . . . . . . . . 5955 1 250 . 1 1 26 26 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 5955 1 251 . 1 1 26 26 LEU HA H 1 4.01 0.03 . 1 . . . . . . . . 5955 1 252 . 1 1 26 26 LEU CB C 13 41.8 0.1 . 1 . . . . . . . . 5955 1 253 . 1 1 26 26 LEU HB2 H 1 1.46 0.03 . 2 . . . . . . . . 5955 1 254 . 1 1 26 26 LEU HB3 H 1 2.10 0.03 . 2 . . . . . . . . 5955 1 255 . 1 1 26 26 LEU HD11 H 1 0.82 0.03 . 1 . . . . . . . . 5955 1 256 . 1 1 26 26 LEU HD12 H 1 0.82 0.03 . 1 . . . . . . . . 5955 1 257 . 1 1 26 26 LEU HD13 H 1 0.82 0.03 . 1 . . . . . . . . 5955 1 258 . 1 1 26 26 LEU HD21 H 1 0.82 0.03 . 1 . . . . . . . . 5955 1 259 . 1 1 26 26 LEU HD22 H 1 0.82 0.03 . 1 . . . . . . . . 5955 1 260 . 1 1 26 26 LEU HD23 H 1 0.82 0.03 . 1 . . . . . . . . 5955 1 261 . 1 1 26 26 LEU CD1 C 13 26.7 0.1 . 1 . . . . . . . . 5955 1 262 . 1 1 26 26 LEU CD2 C 13 26.7 0.1 . 1 . . . . . . . . 5955 1 263 . 1 1 26 26 LEU C C 13 179.4 0.1 . 1 . . . . . . . . 5955 1 264 . 1 1 27 27 GLN N N 15 118.1 0.1 . 1 . . . . . . . . 5955 1 265 . 1 1 27 27 GLN H H 1 7.93 0.03 . 1 . . . . . . . . 5955 1 266 . 1 1 27 27 GLN CA C 13 58.8 0.1 . 1 . . . . . . . . 5955 1 267 . 1 1 27 27 GLN HA H 1 3.91 0.03 . 1 . . . . . . . . 5955 1 268 . 1 1 27 27 GLN CB C 13 27.8 0.1 . 1 . . . . . . . . 5955 1 269 . 1 1 27 27 GLN HB2 H 1 2.21 0.03 . 2 . . . . . . . . 5955 1 270 . 1 1 27 27 GLN HB3 H 1 2.22 0.03 . 2 . . . . . . . . 5955 1 271 . 1 1 27 27 GLN NE2 N 15 114.6 0.1 . 1 . . . . . . . . 5955 1 272 . 1 1 27 27 GLN HE21 H 1 7.99 0.03 . 2 . . . . . . . . 5955 1 273 . 1 1 27 27 GLN HE22 H 1 7.22 0.03 . 2 . . . . . . . . 5955 1 274 . 1 1 27 27 GLN C C 13 178.2 0.1 . 1 . . . . . . . . 5955 1 275 . 1 1 28 28 LYS N N 15 119.4 0.1 . 1 . . . . . . . . 5955 1 276 . 1 1 28 28 LYS H H 1 7.53 0.03 . 1 . . . . . . . . 5955 1 277 . 1 1 28 28 LYS CA C 13 59.5 0.1 . 1 . . . . . . . . 5955 1 278 . 1 1 28 28 LYS HA H 1 4.10 0.03 . 1 . . . . . . . . 5955 1 279 . 1 1 28 28 LYS CB C 13 32.5 0.1 . 1 . . . . . . . . 5955 1 280 . 1 1 28 28 LYS HB2 H 1 1.92 0.03 . 2 . . . . . . . . 5955 1 281 . 1 1 28 28 LYS HB3 H 1 2.04 0.03 . 2 . . . . . . . . 5955 1 282 . 1 1 28 28 LYS HG2 H 1 1.43 0.03 . 1 . . . . . . . . 5955 1 283 . 1 1 28 28 LYS HG3 H 1 1.43 0.03 . 1 . . . . . . . . 5955 1 284 . 1 1 28 28 LYS HD2 H 1 1.58 0.03 . 1 . . . . . . . . 5955 1 285 . 1 1 28 28 LYS HD3 H 1 1.58 0.03 . 1 . . . . . . . . 5955 1 286 . 1 1 28 28 LYS HE2 H 1 2.54 0.03 . 1 . . . . . . . . 5955 1 287 . 1 1 28 28 LYS HE3 H 1 2.54 0.03 . 1 . . . . . . . . 5955 1 288 . 1 1 28 28 LYS C C 13 177.9 0.1 . 1 . . . . . . . . 5955 1 289 . 1 1 29 29 VAL N N 15 118.5 0.1 . 1 . . . . . . . . 5955 1 290 . 1 1 29 29 VAL H H 1 8.06 0.03 . 1 . . . . . . . . 5955 1 291 . 1 1 29 29 VAL CA C 13 66.3 0.1 . 1 . . . . . . . . 5955 1 292 . 1 1 29 29 VAL HA H 1 3.81 0.03 . 1 . . . . . . . . 5955 1 293 . 1 1 29 29 VAL CB C 13 31.5 0.1 . 1 . . . . . . . . 5955 1 294 . 1 1 29 29 VAL HB H 1 2.19 0.03 . 1 . . . . . . . . 5955 1 295 . 1 1 29 29 VAL HG11 H 1 1.12 0.03 . 1 . . . . . . . . 5955 1 296 . 1 1 29 29 VAL HG12 H 1 1.12 0.03 . 1 . . . . . . . . 5955 1 297 . 1 1 29 29 VAL HG13 H 1 1.12 0.03 . 1 . . . . . . . . 5955 1 298 . 1 1 29 29 VAL HG21 H 1 1.12 0.03 . 1 . . . . . . . . 5955 1 299 . 1 1 29 29 VAL HG22 H 1 1.12 0.03 . 1 . . . . . . . . 5955 1 300 . 1 1 29 29 VAL HG23 H 1 1.12 0.03 . 1 . . . . . . . . 5955 1 301 . 1 1 29 29 VAL CG1 C 13 23.8 0.1 . 1 . . . . . . . . 5955 1 302 . 1 1 29 29 VAL CG2 C 13 23.8 0.1 . 1 . . . . . . . . 5955 1 303 . 1 1 29 29 VAL C C 13 179.0 0.1 . 1 . . . . . . . . 5955 1 304 . 1 1 30 30 LYS N N 15 117.1 0.1 . 1 . . . . . . . . 5955 1 305 . 1 1 30 30 LYS H H 1 8.11 0.03 . 1 . . . . . . . . 5955 1 306 . 1 1 30 30 LYS HA H 1 4.77 0.03 . 1 . . . . . . . . 5955 1 307 . 1 1 31 31 GLU N N 15 121.0 0.1 . 1 . . . . . . . . 5955 1 308 . 1 1 31 31 GLU H H 1 8.34 0.03 . 1 . . . . . . . . 5955 1 309 . 1 1 31 31 GLU CA C 13 60.3 0.1 . 1 . . . . . . . . 5955 1 310 . 1 1 31 31 GLU HA H 1 3.72 0.03 . 1 . . . . . . . . 5955 1 311 . 1 1 31 31 GLU CB C 13 31.3 0.1 . 1 . . . . . . . . 5955 1 312 . 1 1 31 31 GLU HB2 H 1 1.86 0.03 . 1 . . . . . . . . 5955 1 313 . 1 1 31 31 GLU HB3 H 1 1.86 0.03 . 1 . . . . . . . . 5955 1 314 . 1 1 31 31 GLU HG2 H 1 2.16 0.03 . 1 . . . . . . . . 5955 1 315 . 1 1 31 31 GLU HG3 H 1 2.16 0.03 . 1 . . . . . . . . 5955 1 316 . 1 1 31 31 GLU C C 13 177.2 0.1 . 1 . . . . . . . . 5955 1 317 . 1 1 32 32 GLU N N 15 116.6 0.1 . 1 . . . . . . . . 5955 1 318 . 1 1 32 32 GLU H H 1 7.95 0.03 . 1 . . . . . . . . 5955 1 319 . 1 1 32 32 GLU CA C 13 59.7 0.1 . 1 . . . . . . . . 5955 1 320 . 1 1 32 32 GLU HA H 1 3.93 0.03 . 1 . . . . . . . . 5955 1 321 . 1 1 32 32 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . 5955 1 322 . 1 1 32 32 GLU HB2 H 1 2.12 0.03 . 2 . . . . . . . . 5955 1 323 . 1 1 32 32 GLU HB3 H 1 2.27 0.03 . 2 . . . . . . . . 5955 1 324 . 1 1 32 32 GLU C C 13 177.4 0.1 . 1 . . . . . . . . 5955 1 325 . 1 1 33 33 ILE N N 15 119.1 0.1 . 1 . . . . . . . . 5955 1 326 . 1 1 33 33 ILE H H 1 8.22 0.03 . 1 . . . . . . . . 5955 1 327 . 1 1 33 33 ILE CA C 13 59.6 0.1 . 1 . . . . . . . . 5955 1 328 . 1 1 33 33 ILE HA H 1 4.06 0.03 . 1 . . . . . . . . 5955 1 329 . 1 1 33 33 ILE CB C 13 30.5 0.1 . 1 . . . . . . . . 5955 1 330 . 1 1 33 33 ILE HB H 1 1.95 0.03 . 1 . . . . . . . . 5955 1 331 . 1 1 33 33 ILE HD11 H 1 0.83 0.03 . 1 . . . . . . . . 5955 1 332 . 1 1 33 33 ILE HD12 H 1 0.83 0.03 . 1 . . . . . . . . 5955 1 333 . 1 1 33 33 ILE HD13 H 1 0.83 0.03 . 1 . . . . . . . . 5955 1 334 . 1 1 33 33 ILE C C 13 179.7 0.1 . 1 . . . . . . . . 5955 1 335 . 1 1 34 34 ILE N N 15 121.3 0.1 . 1 . . . . . . . . 5955 1 336 . 1 1 34 34 ILE H H 1 8.62 0.03 . 1 . . . . . . . . 5955 1 337 . 1 1 34 34 ILE CA C 13 66.2 0.1 . 1 . . . . . . . . 5955 1 338 . 1 1 34 34 ILE HA H 1 3.55 0.03 . 1 . . . . . . . . 5955 1 339 . 1 1 34 34 ILE CB C 13 38.0 0.1 . 1 . . . . . . . . 5955 1 340 . 1 1 34 34 ILE HB H 1 1.93 0.03 . 1 . . . . . . . . 5955 1 341 . 1 1 34 34 ILE HD11 H 1 0.84 0.03 . 1 . . . . . . . . 5955 1 342 . 1 1 34 34 ILE HD12 H 1 0.84 0.03 . 1 . . . . . . . . 5955 1 343 . 1 1 34 34 ILE HD13 H 1 0.84 0.03 . 1 . . . . . . . . 5955 1 344 . 1 1 34 34 ILE CD1 C 13 18.1 0.1 . 1 . . . . . . . . 5955 1 345 . 1 1 34 34 ILE C C 13 180.2 0.1 . 1 . . . . . . . . 5955 1 346 . 1 1 35 35 GLU N N 15 118.0 0.1 . 1 . . . . . . . . 5955 1 347 . 1 1 35 35 GLU H H 1 8.18 0.03 . 1 . . . . . . . . 5955 1 348 . 1 1 35 35 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 5955 1 349 . 1 1 35 35 GLU HA H 1 4.03 0.03 . 1 . . . . . . . . 5955 1 350 . 1 1 35 35 GLU CB C 13 29.2 0.1 . 1 . . . . . . . . 5955 1 351 . 1 1 35 35 GLU HB2 H 1 2.01 0.03 . 2 . . . . . . . . 5955 1 352 . 1 1 35 35 GLU HB3 H 1 2.14 0.03 . 2 . . . . . . . . 5955 1 353 . 1 1 35 35 GLU C C 13 177.4 0.1 . 1 . . . . . . . . 5955 1 354 . 1 1 36 36 ALA N N 15 120.3 0.1 . 1 . . . . . . . . 5955 1 355 . 1 1 36 36 ALA H H 1 7.86 0.03 . 1 . . . . . . . . 5955 1 356 . 1 1 36 36 ALA CA C 13 55.1 0.1 . 1 . . . . . . . . 5955 1 357 . 1 1 36 36 ALA HA H 1 4.22 0.03 . 1 . . . . . . . . 5955 1 358 . 1 1 36 36 ALA HB1 H 1 1.66 0.03 . 1 . . . . . . . . 5955 1 359 . 1 1 36 36 ALA HB2 H 1 1.66 0.03 . 1 . . . . . . . . 5955 1 360 . 1 1 36 36 ALA HB3 H 1 1.66 0.03 . 1 . . . . . . . . 5955 1 361 . 1 1 36 36 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 5955 1 362 . 1 1 36 36 ALA C C 13 178.6 0.1 . 1 . . . . . . . . 5955 1 363 . 1 1 37 37 PHE N N 15 118.4 0.1 . 1 . . . . . . . . 5955 1 364 . 1 1 37 37 PHE H H 1 8.30 0.03 . 1 . . . . . . . . 5955 1 365 . 1 1 37 37 PHE CA C 13 59.8 0.1 . 1 . . . . . . . . 5955 1 366 . 1 1 37 37 PHE HA H 1 4.18 0.03 . 1 . . . . . . . . 5955 1 367 . 1 1 37 37 PHE CB C 13 38.3 0.1 . 1 . . . . . . . . 5955 1 368 . 1 1 37 37 PHE HB2 H 1 2.79 0.03 . 2 . . . . . . . . 5955 1 369 . 1 1 37 37 PHE HB3 H 1 3.02 0.03 . 2 . . . . . . . . 5955 1 370 . 1 1 37 37 PHE HD1 H 1 6.42 0.03 . 1 . . . . . . . . 5955 1 371 . 1 1 37 37 PHE HD2 H 1 6.42 0.03 . 1 . . . . . . . . 5955 1 372 . 1 1 37 37 PHE HE1 H 1 6.84 0.03 . 1 . . . . . . . . 5955 1 373 . 1 1 37 37 PHE HE2 H 1 6.84 0.03 . 1 . . . . . . . . 5955 1 374 . 1 1 37 37 PHE CD1 C 13 131.0 0.1 . 1 . . . . . . . . 5955 1 375 . 1 1 37 37 PHE CE1 C 13 130.7 0.1 . 1 . . . . . . . . 5955 1 376 . 1 1 37 37 PHE CE2 C 13 130.7 0.1 . 1 . . . . . . . . 5955 1 377 . 1 1 37 37 PHE CD2 C 13 131.0 0.1 . 1 . . . . . . . . 5955 1 378 . 1 1 37 37 PHE C C 13 180.7 0.1 . 1 . . . . . . . . 5955 1 379 . 1 1 38 38 VAL N N 15 121.1 0.1 . 1 . . . . . . . . 5955 1 380 . 1 1 38 38 VAL H H 1 8.57 0.03 . 1 . . . . . . . . 5955 1 381 . 1 1 38 38 VAL CA C 13 67.4 0.1 . 1 . . . . . . . . 5955 1 382 . 1 1 38 38 VAL HA H 1 3.36 0.03 . 1 . . . . . . . . 5955 1 383 . 1 1 38 38 VAL CB C 13 31.5 0.1 . 1 . . . . . . . . 5955 1 384 . 1 1 38 38 VAL HB H 1 2.14 0.03 . 1 . . . . . . . . 5955 1 385 . 1 1 38 38 VAL HG11 H 1 1.01 0.03 . 1 . . . . . . . . 5955 1 386 . 1 1 38 38 VAL HG12 H 1 1.01 0.03 . 1 . . . . . . . . 5955 1 387 . 1 1 38 38 VAL HG13 H 1 1.01 0.03 . 1 . . . . . . . . 5955 1 388 . 1 1 38 38 VAL HG21 H 1 1.01 0.03 . 1 . . . . . . . . 5955 1 389 . 1 1 38 38 VAL HG22 H 1 1.01 0.03 . 1 . . . . . . . . 5955 1 390 . 1 1 38 38 VAL HG23 H 1 1.01 0.03 . 1 . . . . . . . . 5955 1 391 . 1 1 38 38 VAL C C 13 177.3 0.1 . 1 . . . . . . . . 5955 1 392 . 1 1 39 39 GLN N N 15 117.3 0.1 . 1 . . . . . . . . 5955 1 393 . 1 1 39 39 GLN H H 1 8.31 0.03 . 1 . . . . . . . . 5955 1 394 . 1 1 39 39 GLN CA C 13 58.9 0.1 . 1 . . . . . . . . 5955 1 395 . 1 1 39 39 GLN HA H 1 3.97 0.03 . 1 . . . . . . . . 5955 1 396 . 1 1 39 39 GLN CB C 13 28.1 0.1 . 1 . . . . . . . . 5955 1 397 . 1 1 39 39 GLN HB2 H 1 2.17 0.03 . 1 . . . . . . . . 5955 1 398 . 1 1 39 39 GLN HB3 H 1 2.17 0.03 . 1 . . . . . . . . 5955 1 399 . 1 1 39 39 GLN CG C 13 33.9 0.1 . 1 . . . . . . . . 5955 1 400 . 1 1 39 39 GLN HG2 H 1 2.52 0.03 . 1 . . . . . . . . 5955 1 401 . 1 1 39 39 GLN HG3 H 1 2.52 0.03 . 1 . . . . . . . . 5955 1 402 . 1 1 39 39 GLN NE2 N 15 112.3 0.1 . 1 . . . . . . . . 5955 1 403 . 1 1 39 39 GLN HE21 H 1 7.71 0.03 . 2 . . . . . . . . 5955 1 404 . 1 1 39 39 GLN HE22 H 1 6.82 0.03 . 2 . . . . . . . . 5955 1 405 . 1 1 39 39 GLN C C 13 178.8 0.1 . 1 . . . . . . . . 5955 1 406 . 1 1 40 40 GLU N N 15 118.8 0.1 . 1 . . . . . . . . 5955 1 407 . 1 1 40 40 GLU H H 1 7.98 0.03 . 1 . . . . . . . . 5955 1 408 . 1 1 40 40 GLU CA C 13 58.5 0.1 . 1 . . . . . . . . 5955 1 409 . 1 1 40 40 GLU HA H 1 4.11 0.03 . 1 . . . . . . . . 5955 1 410 . 1 1 40 40 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5955 1 411 . 1 1 40 40 GLU HB2 H 1 2.09 0.03 . 2 . . . . . . . . 5955 1 412 . 1 1 40 40 GLU HB3 H 1 2.23 0.03 . 2 . . . . . . . . 5955 1 413 . 1 1 40 40 GLU C C 13 179.2 0.1 . 1 . . . . . . . . 5955 1 414 . 1 1 41 41 LEU N N 15 119.3 0.1 . 1 . . . . . . . . 5955 1 415 . 1 1 41 41 LEU H H 1 8.32 0.03 . 1 . . . . . . . . 5955 1 416 . 1 1 41 41 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 5955 1 417 . 1 1 41 41 LEU HA H 1 4.03 0.03 . 1 . . . . . . . . 5955 1 418 . 1 1 41 41 LEU CB C 13 41.7 0.1 . 1 . . . . . . . . 5955 1 419 . 1 1 41 41 LEU HB2 H 1 1.47 0.03 . 2 . . . . . . . . 5955 1 420 . 1 1 41 41 LEU HB3 H 1 1.85 0.03 . 2 . . . . . . . . 5955 1 421 . 1 1 41 41 LEU HD11 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 422 . 1 1 41 41 LEU HD12 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 423 . 1 1 41 41 LEU HD13 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 424 . 1 1 41 41 LEU HD21 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 425 . 1 1 41 41 LEU HD22 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 426 . 1 1 41 41 LEU HD23 H 1 0.85 0.03 . 1 . . . . . . . . 5955 1 427 . 1 1 41 41 LEU C C 13 179.5 0.1 . 1 . . . . . . . . 5955 1 428 . 1 1 42 42 ARG N N 15 118.0 0.1 . 1 . . . . . . . . 5955 1 429 . 1 1 42 42 ARG H H 1 8.00 0.03 . 1 . . . . . . . . 5955 1 430 . 1 1 42 42 ARG CA C 13 58.4 0.1 . 1 . . . . . . . . 5955 1 431 . 1 1 42 42 ARG HA H 1 4.14 0.03 . 1 . . . . . . . . 5955 1 432 . 1 1 42 42 ARG CB C 13 30.2 0.1 . 1 . . . . . . . . 5955 1 433 . 1 1 42 42 ARG HB2 H 1 1.84 0.03 . 2 . . . . . . . . 5955 1 434 . 1 1 42 42 ARG HB3 H 1 1.93 0.03 . 2 . . . . . . . . 5955 1 435 . 1 1 42 42 ARG C C 13 179.6 0.1 . 1 . . . . . . . . 5955 1 436 . 1 1 43 43 LYS N N 15 119.2 0.1 . 1 . . . . . . . . 5955 1 437 . 1 1 43 43 LYS H H 1 7.67 0.03 . 1 . . . . . . . . 5955 1 438 . 1 1 43 43 LYS CA C 13 57.9 0.1 . 1 . . . . . . . . 5955 1 439 . 1 1 43 43 LYS HA H 1 4.16 0.03 . 1 . . . . . . . . 5955 1 440 . 1 1 43 43 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 5955 1 441 . 1 1 43 43 LYS HB2 H 1 1.93 0.03 . 1 . . . . . . . . 5955 1 442 . 1 1 43 43 LYS HB3 H 1 1.93 0.03 . 1 . . . . . . . . 5955 1 443 . 1 1 43 43 LYS HG2 H 1 1.65 0.03 . 1 . . . . . . . . 5955 1 444 . 1 1 43 43 LYS HG3 H 1 1.65 0.03 . 1 . . . . . . . . 5955 1 445 . 1 1 43 43 LYS C C 13 178.1 0.1 . 1 . . . . . . . . 5955 1 446 . 1 1 44 44 ARG N N 15 119.0 0.1 . 1 . . . . . . . . 5955 1 447 . 1 1 44 44 ARG H H 1 7.82 0.03 . 1 . . . . . . . . 5955 1 448 . 1 1 44 44 ARG CA C 13 56.4 0.1 . 1 . . . . . . . . 5955 1 449 . 1 1 44 44 ARG HA H 1 4.35 0.03 . 1 . . . . . . . . 5955 1 450 . 1 1 44 44 ARG CB C 13 30.6 0.1 . 1 . . . . . . . . 5955 1 451 . 1 1 44 44 ARG HB2 H 1 1.84 0.03 . 2 . . . . . . . . 5955 1 452 . 1 1 44 44 ARG HB3 H 1 2.01 0.03 . 2 . . . . . . . . 5955 1 453 . 1 1 44 44 ARG C C 13 177.4 0.1 . 1 . . . . . . . . 5955 1 454 . 1 1 45 45 GLY N N 15 109.5 0.1 . 1 . . . . . . . . 5955 1 455 . 1 1 45 45 GLY H H 1 8.18 0.03 . 1 . . . . . . . . 5955 1 456 . 1 1 45 45 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 5955 1 457 . 1 1 45 45 GLY HA2 H 1 3.98 0.03 . 1 . . . . . . . . 5955 1 458 . 1 1 45 45 GLY HA3 H 1 3.98 0.03 . 1 . . . . . . . . 5955 1 459 . 1 1 45 45 GLY C C 13 176.8 0.1 . 1 . . . . . . . . 5955 1 460 . 1 1 46 46 SER N N 15 115.3 0.1 . 1 . . . . . . . . 5955 1 461 . 1 1 46 46 SER H H 1 7.88 0.03 . 1 . . . . . . . . 5955 1 462 . 1 1 46 46 SER CA C 13 55.8 0.1 . 1 . . . . . . . . 5955 1 463 . 1 1 46 46 SER HA H 1 4.69 0.03 . 1 . . . . . . . . 5955 1 464 . 1 1 46 46 SER CB C 13 64.4 0.1 . 1 . . . . . . . . 5955 1 465 . 1 1 46 46 SER HB2 H 1 3.74 0.03 . 1 . . . . . . . . 5955 1 466 . 1 1 46 46 SER HB3 H 1 3.74 0.03 . 1 . . . . . . . . 5955 1 467 . 1 1 46 46 SER C C 13 172.8 0.1 . 1 . . . . . . . . 5955 1 stop_ save_