data_5729 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5729 _Entry.Title ; Solution Structure, Dynamics and Thermodynamics of the Native State Ensemble of the Sem-5 C-terminal SH3 Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-10 _Entry.Accession_date 2003-03-11 _Entry.Last_release_date 2003-08-08 _Entry.Original_release_date 2003-08-08 _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 Josephine Chu . Y. . 5729 2 David Volk . E. . 5729 3 Bruce Luxon . A. . 5729 4 David Gorenstein . G. . 5729 5 Vincent Hilser . . . 5729 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5729 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 5729 '15N chemical shifts' 68 5729 '1H chemical shifts' 439 5729 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 . . 2003-08-08 2003-03-10 original author . 5729 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5729 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22627427 _Citation.DOI . _Citation.PubMed_ID 12741814 _Citation.Full_citation . _Citation.Title ; Solution Structure, Dynamics, and Thermodynamics of the Native State Ensemble of the Sem-5 C-terminal SH3 Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 19 _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 5582 _Citation.Page_last 5591 _Citation.Year 2003 _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 Josephine Ferreon . C. . 5729 1 2 David Volk . E. . 5729 1 3 Bruce Luxon . A. . 5729 1 4 David Gorenstein . G. . 5729 1 5 Vincent Hilser . J. . 5729 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'C-terminal SH3 Domain of SEM-5 from C. elegans' 5729 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SH3_Domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SH3_Domain _Assembly.Entry_ID 5729 _Assembly.ID 1 _Assembly.Name 'C-terminal SH3 domain of SEM-5 from C. elegans' _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 . _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 monomer 5729 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 'SH3 subunit 1, monomer' 1 $SH3_Domain . . . native . . . . . 5729 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 yes PDB 1K76 . . . . . 'Average structure' 5729 1 yes PDB 1KFZ . . . . . 'Ensemble of structures' 5729 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'C-terminal SH3 domain of SEM-5 from C. elegans' system 5729 1 'SH3 Domain' abbreviation 5729 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SH3_Domain _Entity.Sf_category entity _Entity.Sf_framecode SH3_Domain _Entity.Entry_ID 5729 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 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 ; HMETKFVEALFDFNPQESGE LAFKRGDVITLINKDDPNWW EGQLNNRRGIFPSNYVAPYN SN ; _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 62 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 BMRB 16462 . Sem-5 . . . . . 93.55 58 98.28 100.00 1.08e-33 . . . . 5729 1 2 no PDB 1K76 . "Solution Structure Of The C-Terminal Sem-5 Sh3 Domain (Minimized Average Structure)" . . . . . 100.00 62 98.39 100.00 2.73e-37 . . . . 5729 1 3 no PDB 1KFZ . "Solution Structure Of C-Terminal Sem-5 Sh3 Domain (Ensemble Of 16 Structures)" . . . . . 100.00 62 98.39 100.00 2.73e-37 . . . . 5729 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 Domain' abbreviation 5729 1 'SH3 Domain' common 5729 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 . HIS . 5729 1 2 . MET . 5729 1 3 . GLU . 5729 1 4 . THR . 5729 1 5 . LYS . 5729 1 6 . PHE . 5729 1 7 . VAL . 5729 1 8 . GLU . 5729 1 9 . ALA . 5729 1 10 . LEU . 5729 1 11 . PHE . 5729 1 12 . ASP . 5729 1 13 . PHE . 5729 1 14 . ASN . 5729 1 15 . PRO . 5729 1 16 . GLN . 5729 1 17 . GLU . 5729 1 18 . SER . 5729 1 19 . GLY . 5729 1 20 . GLU . 5729 1 21 . LEU . 5729 1 22 . ALA . 5729 1 23 . PHE . 5729 1 24 . LYS . 5729 1 25 . ARG . 5729 1 26 . GLY . 5729 1 27 . ASP . 5729 1 28 . VAL . 5729 1 29 . ILE . 5729 1 30 . THR . 5729 1 31 . LEU . 5729 1 32 . ILE . 5729 1 33 . ASN . 5729 1 34 . LYS . 5729 1 35 . ASP . 5729 1 36 . ASP . 5729 1 37 . PRO . 5729 1 38 . ASN . 5729 1 39 . TRP . 5729 1 40 . TRP . 5729 1 41 . GLU . 5729 1 42 . GLY . 5729 1 43 . GLN . 5729 1 44 . LEU . 5729 1 45 . ASN . 5729 1 46 . ASN . 5729 1 47 . ARG . 5729 1 48 . ARG . 5729 1 49 . GLY . 5729 1 50 . ILE . 5729 1 51 . PHE . 5729 1 52 . PRO . 5729 1 53 . SER . 5729 1 54 . ASN . 5729 1 55 . TYR . 5729 1 56 . VAL . 5729 1 57 . ALA . 5729 1 58 . PRO . 5729 1 59 . TYR . 5729 1 60 . ASN . 5729 1 61 . SER . 5729 1 62 . ASN . 5729 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 . HIS 1 1 5729 1 . MET 2 2 5729 1 . GLU 3 3 5729 1 . THR 4 4 5729 1 . LYS 5 5 5729 1 . PHE 6 6 5729 1 . VAL 7 7 5729 1 . GLU 8 8 5729 1 . ALA 9 9 5729 1 . LEU 10 10 5729 1 . PHE 11 11 5729 1 . ASP 12 12 5729 1 . PHE 13 13 5729 1 . ASN 14 14 5729 1 . PRO 15 15 5729 1 . GLN 16 16 5729 1 . GLU 17 17 5729 1 . SER 18 18 5729 1 . GLY 19 19 5729 1 . GLU 20 20 5729 1 . LEU 21 21 5729 1 . ALA 22 22 5729 1 . PHE 23 23 5729 1 . LYS 24 24 5729 1 . ARG 25 25 5729 1 . GLY 26 26 5729 1 . ASP 27 27 5729 1 . VAL 28 28 5729 1 . ILE 29 29 5729 1 . THR 30 30 5729 1 . LEU 31 31 5729 1 . ILE 32 32 5729 1 . ASN 33 33 5729 1 . LYS 34 34 5729 1 . ASP 35 35 5729 1 . ASP 36 36 5729 1 . PRO 37 37 5729 1 . ASN 38 38 5729 1 . TRP 39 39 5729 1 . TRP 40 40 5729 1 . GLU 41 41 5729 1 . GLY 42 42 5729 1 . GLN 43 43 5729 1 . LEU 44 44 5729 1 . ASN 45 45 5729 1 . ASN 46 46 5729 1 . ARG 47 47 5729 1 . ARG 48 48 5729 1 . GLY 49 49 5729 1 . ILE 50 50 5729 1 . PHE 51 51 5729 1 . PRO 52 52 5729 1 . SER 53 53 5729 1 . ASN 54 54 5729 1 . TYR 55 55 5729 1 . VAL 56 56 5729 1 . ALA 57 57 5729 1 . PRO 58 58 5729 1 . TYR 59 59 5729 1 . ASN 60 60 5729 1 . SER 61 61 5729 1 . ASN 62 62 5729 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 5729 _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 $SH3_Domain . 'C. elegans' . . 'Caenorhabditis elegans' 6239 . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . . . . . . 5729 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 5729 _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 $SH3_Domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5729 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5729 _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 'SH3 Domain' '[U-95% 13C; U-95% 15N]' . . 1 $SH3_Domain . . 2.0 . . mM . . . . 5729 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5729 _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 4.8 0.2 n/a 5729 1 temperature 298 1 K 5729 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5729 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5729 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5729 _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 Varian UnityPlus . 400 . . . 5729 1 2 NMR_spectrometer_2 Varian UnityPlus . 750 . . . 5729 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 5729 _Experiment_list.ID 1 _Experiment_list.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 5729 _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 . . . . . . . . . 5729 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5729 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5729 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 5729 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 5729 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 HIS HD2 H 1 7.27 0.02 . 1 . . . . . . . . 5729 1 2 . 1 1 1 1 HIS HE1 H 1 7.33 0.02 . 1 . . . . . . . . 5729 1 3 . 1 1 1 1 HIS HE2 H 1 8.50 0.02 . 1 . . . . . . . . 5729 1 4 . 1 1 1 1 HIS CB C 13 29.6 0.3 . 1 . . . . . . . . 5729 1 5 . 1 1 1 1 HIS CD2 C 13 121.1 0.3 . 1 . . . . . . . . 5729 1 6 . 1 1 1 1 HIS CE1 C 13 137.6 0.3 . 1 . . . . . . . . 5729 1 7 . 1 1 2 2 MET HA H 1 4.43 0.02 . 1 . . . . . . . . 5729 1 8 . 1 1 2 2 MET HB2 H 1 1.96 0.02 . 1 . . . . . . . . 5729 1 9 . 1 1 2 2 MET HB3 H 1 1.96 0.02 . 1 . . . . . . . . 5729 1 10 . 1 1 2 2 MET HG2 H 1 2.48 0.02 . 1 . . . . . . . . 5729 1 11 . 1 1 2 2 MET HG3 H 1 2.48 0.02 . 1 . . . . . . . . 5729 1 12 . 1 1 2 2 MET HE1 H 1 2.04 0.02 . 1 . . . . . . . . 5729 1 13 . 1 1 2 2 MET HE2 H 1 2.04 0.02 . 1 . . . . . . . . 5729 1 14 . 1 1 2 2 MET HE3 H 1 2.04 0.02 . 1 . . . . . . . . 5729 1 15 . 1 1 2 2 MET CA C 13 55.9 0.3 . 1 . . . . . . . . 5729 1 16 . 1 1 2 2 MET CB C 13 33.6 0.3 . 1 . . . . . . . . 5729 1 17 . 1 1 2 2 MET CG C 13 32.0 0.3 . 1 . . . . . . . . 5729 1 18 . 1 1 2 2 MET CE C 13 17.0 0.3 . 1 . . . . . . . . 5729 1 19 . 1 1 3 3 GLU H H 1 8.69 0.02 . 1 . . . . . . . . 5729 1 20 . 1 1 3 3 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 5729 1 21 . 1 1 3 3 GLU HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5729 1 22 . 1 1 3 3 GLU HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5729 1 23 . 1 1 3 3 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5729 1 24 . 1 1 3 3 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5729 1 25 . 1 1 3 3 GLU C C 13 175.6 0.3 . 1 . . . . . . . . 5729 1 26 . 1 1 3 3 GLU CA C 13 56.3 0.3 . 1 . . . . . . . . 5729 1 27 . 1 1 3 3 GLU CB C 13 30.5 0.3 . 1 . . . . . . . . 5729 1 28 . 1 1 3 3 GLU CG C 13 36.0 0.3 . 1 . . . . . . . . 5729 1 29 . 1 1 3 3 GLU N N 15 124.9 0.2 . 1 . . . . . . . . 5729 1 30 . 1 1 4 4 THR H H 1 8.21 0.02 . 1 . . . . . . . . 5729 1 31 . 1 1 4 4 THR HA H 1 4.18 0.02 . 1 . . . . . . . . 5729 1 32 . 1 1 4 4 THR HB H 1 3.94 0.02 . 1 . . . . . . . . 5729 1 33 . 1 1 4 4 THR HG21 H 1 0.99 0.02 . 1 . . . . . . . . 5729 1 34 . 1 1 4 4 THR HG22 H 1 0.99 0.02 . 1 . . . . . . . . 5729 1 35 . 1 1 4 4 THR HG23 H 1 0.99 0.02 . 1 . . . . . . . . 5729 1 36 . 1 1 4 4 THR C C 13 173.0 0.3 . 1 . . . . . . . . 5729 1 37 . 1 1 4 4 THR CA C 13 62.4 0.3 . 1 . . . . . . . . 5729 1 38 . 1 1 4 4 THR CB C 13 69.9 0.3 . 1 . . . . . . . . 5729 1 39 . 1 1 4 4 THR CG2 C 13 22.6 0.3 . 1 . . . . . . . . 5729 1 40 . 1 1 4 4 THR N N 15 119.1 0.2 . 1 . . . . . . . . 5729 1 41 . 1 1 5 5 LYS H H 1 8.44 0.02 . 1 . . . . . . . . 5729 1 42 . 1 1 5 5 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 5729 1 43 . 1 1 5 5 LYS HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5729 1 44 . 1 1 5 5 LYS HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5729 1 45 . 1 1 5 5 LYS HG2 H 1 1.17 0.02 . 2 . . . . . . . . 5729 1 46 . 1 1 5 5 LYS HG3 H 1 1.13 0.02 . 2 . . . . . . . . 5729 1 47 . 1 1 5 5 LYS HD2 H 1 1.51 0.02 . 1 . . . . . . . . 5729 1 48 . 1 1 5 5 LYS HD3 H 1 1.51 0.02 . 1 . . . . . . . . 5729 1 49 . 1 1 5 5 LYS HE2 H 1 2.84 0.02 . 1 . . . . . . . . 5729 1 50 . 1 1 5 5 LYS HE3 H 1 2.84 0.02 . 1 . . . . . . . . 5729 1 51 . 1 1 5 5 LYS C C 13 173.9 0.3 . 1 . . . . . . . . 5729 1 52 . 1 1 5 5 LYS CA C 13 55.8 0.3 . 1 . . . . . . . . 5729 1 53 . 1 1 5 5 LYS CB C 13 34.4 0.3 . 1 . . . . . . . . 5729 1 54 . 1 1 5 5 LYS CG C 13 24.8 0.3 . 1 . . . . . . . . 5729 1 55 . 1 1 5 5 LYS CD C 13 28.8 0.3 . 1 . . . . . . . . 5729 1 56 . 1 1 5 5 LYS CE C 13 42.3 0.3 . 1 . . . . . . . . 5729 1 57 . 1 1 5 5 LYS N N 15 126.1 0.2 . 1 . . . . . . . . 5729 1 58 . 1 1 6 6 PHE H H 1 8.48 0.02 . 1 . . . . . . . . 5729 1 59 . 1 1 6 6 PHE HA H 1 5.63 0.02 . 1 . . . . . . . . 5729 1 60 . 1 1 6 6 PHE HB2 H 1 3.02 0.02 . 1 . . . . . . . . 5729 1 61 . 1 1 6 6 PHE HB3 H 1 3.02 0.02 . 1 . . . . . . . . 5729 1 62 . 1 1 6 6 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 5729 1 63 . 1 1 6 6 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 5729 1 64 . 1 1 6 6 PHE HE1 H 1 7.36 0.02 . 1 . . . . . . . . 5729 1 65 . 1 1 6 6 PHE HE2 H 1 7.36 0.02 . 1 . . . . . . . . 5729 1 66 . 1 1 6 6 PHE HZ H 1 7.25 0.02 . 1 . . . . . . . . 5729 1 67 . 1 1 6 6 PHE C C 13 175.3 0.3 . 1 . . . . . . . . 5729 1 68 . 1 1 6 6 PHE CA C 13 56.3 0.3 . 1 . . . . . . . . 5729 1 69 . 1 1 6 6 PHE CB C 13 43.2 0.3 . 1 . . . . . . . . 5729 1 70 . 1 1 6 6 PHE CD1 C 13 132.0 0.3 . 1 . . . . . . . . 5729 1 71 . 1 1 6 6 PHE CD2 C 13 132.0 0.3 . 1 . . . . . . . . 5729 1 72 . 1 1 6 6 PHE CE1 C 13 131.8 0.3 . 1 . . . . . . . . 5729 1 73 . 1 1 6 6 PHE CE2 C 13 131.8 0.3 . 1 . . . . . . . . 5729 1 74 . 1 1 6 6 PHE CZ C 13 129.8 0.3 . 1 . . . . . . . . 5729 1 75 . 1 1 6 6 PHE N N 15 118.6 0.2 . 1 . . . . . . . . 5729 1 76 . 1 1 7 7 VAL H H 1 9.18 0.02 . 1 . . . . . . . . 5729 1 77 . 1 1 7 7 VAL HA H 1 5.06 0.02 . 1 . . . . . . . . 5729 1 78 . 1 1 7 7 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 5729 1 79 . 1 1 7 7 VAL HG21 H 1 0.76 0.02 . 1 . . . . . . . . 5729 1 80 . 1 1 7 7 VAL HG22 H 1 0.76 0.02 . 1 . . . . . . . . 5729 1 81 . 1 1 7 7 VAL HG23 H 1 0.76 0.02 . 1 . . . . . . . . 5729 1 82 . 1 1 7 7 VAL HG11 H 1 1.01 0.02 . 1 . . . . . . . . 5729 1 83 . 1 1 7 7 VAL HG12 H 1 1.01 0.02 . 1 . . . . . . . . 5729 1 84 . 1 1 7 7 VAL HG13 H 1 1.01 0.02 . 1 . . . . . . . . 5729 1 85 . 1 1 7 7 VAL C C 13 172.3 0.3 . 1 . . . . . . . . 5729 1 86 . 1 1 7 7 VAL CA C 13 58.8 0.3 . 1 . . . . . . . . 5729 1 87 . 1 1 7 7 VAL CB C 13 35.8 0.3 . 1 . . . . . . . . 5729 1 88 . 1 1 7 7 VAL CG2 C 13 19.3 0.3 . 1 . . . . . . . . 5729 1 89 . 1 1 7 7 VAL CG1 C 13 23.5 0.3 . 1 . . . . . . . . 5729 1 90 . 1 1 7 7 VAL N N 15 114.4 0.2 . 1 . . . . . . . . 5729 1 91 . 1 1 8 8 GLU H H 1 9.63 0.02 . 1 . . . . . . . . 5729 1 92 . 1 1 8 8 GLU HA H 1 5.23 0.02 . 1 . . . . . . . . 5729 1 93 . 1 1 8 8 GLU HB2 H 1 1.44 0.02 . 1 . . . . . . . . 5729 1 94 . 1 1 8 8 GLU HB3 H 1 1.44 0.02 . 1 . . . . . . . . 5729 1 95 . 1 1 8 8 GLU HG2 H 1 1.92 0.02 . 1 . . . . . . . . 5729 1 96 . 1 1 8 8 GLU HG3 H 1 1.92 0.02 . 1 . . . . . . . . 5729 1 97 . 1 1 8 8 GLU C C 13 174.6 0.3 . 1 . . . . . . . . 5729 1 98 . 1 1 8 8 GLU CA C 13 53.0 0.3 . 1 . . . . . . . . 5729 1 99 . 1 1 8 8 GLU CB C 13 32.4 0.3 . 1 . . . . . . . . 5729 1 100 . 1 1 8 8 GLU CG C 13 33.6 0.3 . 1 . . . . . . . . 5729 1 101 . 1 1 8 8 GLU N N 15 122.7 0.2 . 1 . . . . . . . . 5729 1 102 . 1 1 9 9 ALA H H 1 8.62 0.02 . 1 . . . . . . . . 5729 1 103 . 1 1 9 9 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 5729 1 104 . 1 1 9 9 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 5729 1 105 . 1 1 9 9 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 5729 1 106 . 1 1 9 9 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 5729 1 107 . 1 1 9 9 ALA C C 13 178.6 0.3 . 1 . . . . . . . . 5729 1 108 . 1 1 9 9 ALA CA C 13 53.0 0.3 . 1 . . . . . . . . 5729 1 109 . 1 1 9 9 ALA CB C 13 21.6 0.3 . 1 . . . . . . . . 5729 1 110 . 1 1 9 9 ALA N N 15 128.5 0.2 . 1 . . . . . . . . 5729 1 111 . 1 1 10 10 LEU H H 1 9.47 0.02 . 1 . . . . . . . . 5729 1 112 . 1 1 10 10 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 5729 1 113 . 1 1 10 10 LEU HB2 H 1 0.91 0.02 . 2 . . . . . . . . 5729 1 114 . 1 1 10 10 LEU HB3 H 1 0.55 0.02 . 2 . . . . . . . . 5729 1 115 . 1 1 10 10 LEU HG H 1 1.27 0.02 . 1 . . . . . . . . 5729 1 116 . 1 1 10 10 LEU HD11 H 1 0.60 0.02 . 1 . . . . . . . . 5729 1 117 . 1 1 10 10 LEU HD12 H 1 0.60 0.02 . 1 . . . . . . . . 5729 1 118 . 1 1 10 10 LEU HD13 H 1 0.60 0.02 . 1 . . . . . . . . 5729 1 119 . 1 1 10 10 LEU HD21 H 1 0.60 0.02 . 1 . . . . . . . . 5729 1 120 . 1 1 10 10 LEU HD22 H 1 0.60 0.02 . 1 . . . . . . . . 5729 1 121 . 1 1 10 10 LEU HD23 H 1 0.60 0.02 . 1 . . . . . . . . 5729 1 122 . 1 1 10 10 LEU C C 13 174.6 0.3 . 1 . . . . . . . . 5729 1 123 . 1 1 10 10 LEU CA C 13 55.5 0.3 . 1 . . . . . . . . 5729 1 124 . 1 1 10 10 LEU CB C 13 43.3 0.3 . 1 . . . . . . . . 5729 1 125 . 1 1 10 10 LEU CG C 13 26.9 0.3 . 1 . . . . . . . . 5729 1 126 . 1 1 10 10 LEU CD1 C 13 25.7 0.3 . 2 . . . . . . . . 5729 1 127 . 1 1 10 10 LEU CD2 C 13 22.0 0.3 . 2 . . . . . . . . 5729 1 128 . 1 1 10 10 LEU N N 15 126.9 0.2 . 1 . . . . . . . . 5729 1 129 . 1 1 11 11 PHE H H 1 7.13 0.02 . 1 . . . . . . . . 5729 1 130 . 1 1 11 11 PHE HA H 1 4.81 0.02 . 1 . . . . . . . . 5729 1 131 . 1 1 11 11 PHE HB2 H 1 3.26 0.02 . 2 . . . . . . . . 5729 1 132 . 1 1 11 11 PHE HB3 H 1 2.33 0.02 . 2 . . . . . . . . 5729 1 133 . 1 1 11 11 PHE HD1 H 1 6.79 0.02 . 1 . . . . . . . . 5729 1 134 . 1 1 11 11 PHE HD2 H 1 6.79 0.02 . 1 . . . . . . . . 5729 1 135 . 1 1 11 11 PHE HE1 H 1 7.10 0.02 . 1 . . . . . . . . 5729 1 136 . 1 1 11 11 PHE HE2 H 1 7.10 0.02 . 1 . . . . . . . . 5729 1 137 . 1 1 11 11 PHE HZ H 1 7.10 0.02 . 1 . . . . . . . . 5729 1 138 . 1 1 11 11 PHE C C 13 173.3 0.3 . 1 . . . . . . . . 5729 1 139 . 1 1 11 11 PHE CA C 13 54.3 0.3 . 1 . . . . . . . . 5729 1 140 . 1 1 11 11 PHE CB C 13 43.9 0.3 . 1 . . . . . . . . 5729 1 141 . 1 1 11 11 PHE CD1 C 13 132.5 0.3 . 1 . . . . . . . . 5729 1 142 . 1 1 11 11 PHE CD2 C 13 132.5 0.3 . 1 . . . . . . . . 5729 1 143 . 1 1 11 11 PHE CE1 C 13 129.8 0.3 . 4 . . . . . . . . 5729 1 144 . 1 1 11 11 PHE CE2 C 13 129.8 0.3 . 4 . . . . . . . . 5729 1 145 . 1 1 11 11 PHE CZ C 13 130.9 0.3 . 4 . . . . . . . . 5729 1 146 . 1 1 11 11 PHE N N 15 114.2 0.2 . 1 . . . . . . . . 5729 1 147 . 1 1 12 12 ASP H H 1 8.51 0.02 . 1 . . . . . . . . 5729 1 148 . 1 1 12 12 ASP HA H 1 4.69 0.02 . 1 . . . . . . . . 5729 1 149 . 1 1 12 12 ASP HB2 H 1 2.69 0.02 . 1 . . . . . . . . 5729 1 150 . 1 1 12 12 ASP HB3 H 1 2.69 0.02 . 1 . . . . . . . . 5729 1 151 . 1 1 12 12 ASP C C 13 175.0 0.3 . 1 . . . . . . . . 5729 1 152 . 1 1 12 12 ASP CA C 13 55.1 0.3 . 1 . . . . . . . . 5729 1 153 . 1 1 12 12 ASP CB C 13 41.3 0.3 . 1 . . . . . . . . 5729 1 154 . 1 1 12 12 ASP N N 15 119.2 0.2 . 1 . . . . . . . . 5729 1 155 . 1 1 13 13 PHE H H 1 8.56 0.02 . 1 . . . . . . . . 5729 1 156 . 1 1 13 13 PHE HA H 1 4.88 0.02 . 1 . . . . . . . . 5729 1 157 . 1 1 13 13 PHE HB2 H 1 2.44 0.02 . 2 . . . . . . . . 5729 1 158 . 1 1 13 13 PHE HB3 H 1 1.38 0.02 . 2 . . . . . . . . 5729 1 159 . 1 1 13 13 PHE HD1 H 1 7.22 0.02 . 1 . . . . . . . . 5729 1 160 . 1 1 13 13 PHE HD2 H 1 7.22 0.02 . 1 . . . . . . . . 5729 1 161 . 1 1 13 13 PHE HE1 H 1 7.33 0.02 . 1 . . . . . . . . 5729 1 162 . 1 1 13 13 PHE HE2 H 1 7.33 0.02 . 1 . . . . . . . . 5729 1 163 . 1 1 13 13 PHE HZ H 1 7.33 0.02 . 1 . . . . . . . . 5729 1 164 . 1 1 13 13 PHE C C 13 172.3 0.3 . 1 . . . . . . . . 5729 1 165 . 1 1 13 13 PHE CA C 13 56.8 0.3 . 1 . . . . . . . . 5729 1 166 . 1 1 13 13 PHE CB C 13 42.2 0.3 . 1 . . . . . . . . 5729 1 167 . 1 1 13 13 PHE CD1 C 13 132.9 0.3 . 1 . . . . . . . . 5729 1 168 . 1 1 13 13 PHE CD2 C 13 132.9 0.3 . 1 . . . . . . . . 5729 1 169 . 1 1 13 13 PHE CE1 C 13 129.2 0.3 . 4 . . . . . . . . 5729 1 170 . 1 1 13 13 PHE CE2 C 13 129.2 0.3 . 4 . . . . . . . . 5729 1 171 . 1 1 13 13 PHE CZ C 13 130.8 0.3 . 4 . . . . . . . . 5729 1 172 . 1 1 13 13 PHE N N 15 123.3 0.2 . 1 . . . . . . . . 5729 1 173 . 1 1 14 14 ASN H H 1 8.33 0.02 . 1 . . . . . . . . 5729 1 174 . 1 1 14 14 ASN HA H 1 5.01 0.02 . 1 . . . . . . . . 5729 1 175 . 1 1 14 14 ASN HB3 H 1 2.53 0.02 . 1 . . . . . . . . 5729 1 176 . 1 1 14 14 ASN HB2 H 1 2.47 0.02 . 1 . . . . . . . . 5729 1 177 . 1 1 14 14 ASN HD21 H 1 6.77 0.02 . 2 . . . . . . . . 5729 1 178 . 1 1 14 14 ASN HD22 H 1 7.37 0.02 . 2 . . . . . . . . 5729 1 179 . 1 1 14 14 ASN CA C 13 49.9 0.3 . 1 . . . . . . . . 5729 1 180 . 1 1 14 14 ASN CB C 13 39.6 0.3 . 1 . . . . . . . . 5729 1 181 . 1 1 14 14 ASN CG C 13 177.2 0.3 . 1 . . . . . . . . 5729 1 182 . 1 1 14 14 ASN N N 15 126.6 0.2 . 1 . . . . . . . . 5729 1 183 . 1 1 14 14 ASN ND2 N 15 114.8 0.2 . 1 . . . . . . . . 5729 1 184 . 1 1 15 15 PRO HA H 1 3.91 0.02 . 1 . . . . . . . . 5729 1 185 . 1 1 15 15 PRO HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5729 1 186 . 1 1 15 15 PRO HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5729 1 187 . 1 1 15 15 PRO HG2 H 1 1.69 0.02 . 2 . . . . . . . . 5729 1 188 . 1 1 15 15 PRO HG3 H 1 1.29 0.02 . 2 . . . . . . . . 5729 1 189 . 1 1 15 15 PRO HD2 H 1 3.33 0.02 . 2 . . . . . . . . 5729 1 190 . 1 1 15 15 PRO HD3 H 1 2.41 0.02 . 2 . . . . . . . . 5729 1 191 . 1 1 15 15 PRO C C 13 176.5 0.3 . 1 . . . . . . . . 5729 1 192 . 1 1 15 15 PRO CA C 13 62.9 0.3 . 1 . . . . . . . . 5729 1 193 . 1 1 15 15 PRO CB C 13 34.1 0.3 . 1 . . . . . . . . 5729 1 194 . 1 1 15 15 PRO CG C 13 26.5 0.3 . 1 . . . . . . . . 5729 1 195 . 1 1 15 15 PRO CD C 13 50.6 0.3 . 1 . . . . . . . . 5729 1 196 . 1 1 16 16 GLN H H 1 8.49 0.02 . 1 . . . . . . . . 5729 1 197 . 1 1 16 16 GLN HA H 1 4.27 0.02 . 1 . . . . . . . . 5729 1 198 . 1 1 16 16 GLN HB2 H 1 1.92 0.02 . 1 . . . . . . . . 5729 1 199 . 1 1 16 16 GLN HB3 H 1 1.92 0.02 . 1 . . . . . . . . 5729 1 200 . 1 1 16 16 GLN HG2 H 1 2.26 0.02 . 1 . . . . . . . . 5729 1 201 . 1 1 16 16 GLN HG3 H 1 2.26 0.02 . 1 . . . . . . . . 5729 1 202 . 1 1 16 16 GLN HE22 H 1 6.77 0.02 . 1 . . . . . . . . 5729 1 203 . 1 1 16 16 GLN HE21 H 1 7.37 0.02 . 1 . . . . . . . . 5729 1 204 . 1 1 16 16 GLN C C 13 174.9 0.3 . 1 . . . . . . . . 5729 1 205 . 1 1 16 16 GLN CA C 13 55.2 0.3 . 1 . . . . . . . . 5729 1 206 . 1 1 16 16 GLN CB C 13 30.2 0.3 . 1 . . . . . . . . 5729 1 207 . 1 1 16 16 GLN CG C 13 34.3 0.3 . 1 . . . . . . . . 5729 1 208 . 1 1 16 16 GLN CD C 13 180.2 0.3 . 1 . . . . . . . . 5729 1 209 . 1 1 16 16 GLN N N 15 118.9 0.2 . 1 . . . . . . . . 5729 1 210 . 1 1 16 16 GLN NE2 N 15 113.6 0.2 . 1 . . . . . . . . 5729 1 211 . 1 1 17 17 GLU H H 1 7.27 0.02 . 1 . . . . . . . . 5729 1 212 . 1 1 17 17 GLU HA H 1 4.51 0.02 . 1 . . . . . . . . 5729 1 213 . 1 1 17 17 GLU HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5729 1 214 . 1 1 17 17 GLU HB2 H 1 1.67 0.02 . 1 . . . . . . . . 5729 1 215 . 1 1 17 17 GLU HG2 H 1 2.23 0.02 . 1 . . . . . . . . 5729 1 216 . 1 1 17 17 GLU HG3 H 1 2.23 0.02 . 1 . . . . . . . . 5729 1 217 . 1 1 17 17 GLU C C 13 175.9 0.3 . 1 . . . . . . . . 5729 1 218 . 1 1 17 17 GLU CA C 13 55.2 0.3 . 1 . . . . . . . . 5729 1 219 . 1 1 17 17 GLU CB C 13 31.7 0.3 . 1 . . . . . . . . 5729 1 220 . 1 1 17 17 GLU CG C 13 35.0 0.3 . 1 . . . . . . . . 5729 1 221 . 1 1 17 17 GLU N N 15 118.1 0.2 . 1 . . . . . . . . 5729 1 222 . 1 1 18 18 SER H H 1 8.63 0.02 . 1 . . . . . . . . 5729 1 223 . 1 1 18 18 SER HA H 1 4.26 0.02 . 1 . . . . . . . . 5729 1 224 . 1 1 18 18 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 5729 1 225 . 1 1 18 18 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 5729 1 226 . 1 1 18 18 SER C C 13 174.8 0.3 . 1 . . . . . . . . 5729 1 227 . 1 1 18 18 SER CA C 13 60.0 0.3 . 1 . . . . . . . . 5729 1 228 . 1 1 18 18 SER CB C 13 63.3 0.3 . 1 . . . . . . . . 5729 1 229 . 1 1 18 18 SER N N 15 119.2 0.2 . 1 . . . . . . . . 5729 1 230 . 1 1 19 19 GLY H H 1 8.80 0.02 . 1 . . . . . . . . 5729 1 231 . 1 1 19 19 GLY HA3 H 1 4.14 0.02 . 1 . . . . . . . . 5729 1 232 . 1 1 19 19 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 5729 1 233 . 1 1 19 19 GLY C C 13 174.0 0.3 . 1 . . . . . . . . 5729 1 234 . 1 1 19 19 GLY CA C 13 45.4 0.3 . 1 . . . . . . . . 5729 1 235 . 1 1 19 19 GLY N N 15 111.9 0.2 . 1 . . . . . . . . 5729 1 236 . 1 1 20 20 GLU H H 1 7.36 0.02 . 1 . . . . . . . . 5729 1 237 . 1 1 20 20 GLU HA H 1 5.23 0.02 . 1 . . . . . . . . 5729 1 238 . 1 1 20 20 GLU HB2 H 1 2.12 0.02 . 1 . . . . . . . . 5729 1 239 . 1 1 20 20 GLU HB3 H 1 2.12 0.02 . 1 . . . . . . . . 5729 1 240 . 1 1 20 20 GLU HG2 H 1 2.29 0.02 . 1 . . . . . . . . 5729 1 241 . 1 1 20 20 GLU HG3 H 1 2.29 0.02 . 1 . . . . . . . . 5729 1 242 . 1 1 20 20 GLU C C 13 174.5 0.3 . 1 . . . . . . . . 5729 1 243 . 1 1 20 20 GLU CA C 13 54.7 0.3 . 1 . . . . . . . . 5729 1 244 . 1 1 20 20 GLU CB C 13 31.1 0.3 . 1 . . . . . . . . 5729 1 245 . 1 1 20 20 GLU CG C 13 34.4 0.3 . 1 . . . . . . . . 5729 1 246 . 1 1 20 20 GLU N N 15 119.7 0.2 . 1 . . . . . . . . 5729 1 247 . 1 1 21 21 LEU H H 1 9.00 0.02 . 1 . . . . . . . . 5729 1 248 . 1 1 21 21 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 5729 1 249 . 1 1 21 21 LEU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5729 1 250 . 1 1 21 21 LEU HB3 H 1 0.96 0.02 . 2 . . . . . . . . 5729 1 251 . 1 1 21 21 LEU HG H 1 1.71 0.02 . 1 . . . . . . . . 5729 1 252 . 1 1 21 21 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 5729 1 253 . 1 1 21 21 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 5729 1 254 . 1 1 21 21 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 5729 1 255 . 1 1 21 21 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 5729 1 256 . 1 1 21 21 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 5729 1 257 . 1 1 21 21 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 5729 1 258 . 1 1 21 21 LEU C C 13 171.6 0.3 . 1 . . . . . . . . 5729 1 259 . 1 1 21 21 LEU CA C 13 54.5 0.3 . 1 . . . . . . . . 5729 1 260 . 1 1 21 21 LEU CB C 13 45.5 0.3 . 1 . . . . . . . . 5729 1 261 . 1 1 21 21 LEU CG C 13 26.5 0.3 . 1 . . . . . . . . 5729 1 262 . 1 1 21 21 LEU CD1 C 13 24.2 0.3 . 2 . . . . . . . . 5729 1 263 . 1 1 21 21 LEU CD2 C 13 26.5 0.3 . 2 . . . . . . . . 5729 1 264 . 1 1 21 21 LEU N N 15 128.0 0.2 . 1 . . . . . . . . 5729 1 265 . 1 1 22 22 ALA H H 1 7.63 0.02 . 1 . . . . . . . . 5729 1 266 . 1 1 22 22 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 5729 1 267 . 1 1 22 22 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 5729 1 268 . 1 1 22 22 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 5729 1 269 . 1 1 22 22 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 5729 1 270 . 1 1 22 22 ALA C C 13 177.3 0.3 . 1 . . . . . . . . 5729 1 271 . 1 1 22 22 ALA CA C 13 51.5 0.3 . 1 . . . . . . . . 5729 1 272 . 1 1 22 22 ALA CB C 13 20.6 0.3 . 1 . . . . . . . . 5729 1 273 . 1 1 22 22 ALA N N 15 125.5 0.2 . 1 . . . . . . . . 5729 1 274 . 1 1 23 23 PHE H H 1 8.18 0.02 . 1 . . . . . . . . 5729 1 275 . 1 1 23 23 PHE HA H 1 4.78 0.02 . 1 . . . . . . . . 5729 1 276 . 1 1 23 23 PHE HB2 H 1 3.27 0.02 . 1 . . . . . . . . 5729 1 277 . 1 1 23 23 PHE HB3 H 1 3.27 0.02 . 1 . . . . . . . . 5729 1 278 . 1 1 23 23 PHE HD1 H 1 6.65 0.02 . 1 . . . . . . . . 5729 1 279 . 1 1 23 23 PHE HD2 H 1 6.65 0.02 . 1 . . . . . . . . 5729 1 280 . 1 1 23 23 PHE HE1 H 1 6.76 0.02 . 1 . . . . . . . . 5729 1 281 . 1 1 23 23 PHE HE2 H 1 6.76 0.02 . 1 . . . . . . . . 5729 1 282 . 1 1 23 23 PHE HZ H 1 7.13 0.02 . 1 . . . . . . . . 5729 1 283 . 1 1 23 23 PHE C C 13 174.2 0.3 . 1 . . . . . . . . 5729 1 284 . 1 1 23 23 PHE CA C 13 56.5 0.3 . 1 . . . . . . . . 5729 1 285 . 1 1 23 23 PHE CB C 13 40.7 0.3 . 1 . . . . . . . . 5729 1 286 . 1 1 23 23 PHE CD1 C 13 127.6 0.3 . 1 . . . . . . . . 5729 1 287 . 1 1 23 23 PHE CD2 C 13 127.6 0.3 . 1 . . . . . . . . 5729 1 288 . 1 1 23 23 PHE CE1 C 13 133.5 0.3 . 1 . . . . . . . . 5729 1 289 . 1 1 23 23 PHE CE2 C 13 133.5 0.3 . 1 . . . . . . . . 5729 1 290 . 1 1 23 23 PHE CZ C 13 131.3 0.3 . 1 . . . . . . . . 5729 1 291 . 1 1 23 23 PHE N N 15 114.2 0.2 . 1 . . . . . . . . 5729 1 292 . 1 1 24 24 LYS H H 1 9.57 0.02 . 1 . . . . . . . . 5729 1 293 . 1 1 24 24 LYS HA H 1 4.97 0.02 . 1 . . . . . . . . 5729 1 294 . 1 1 24 24 LYS HB2 H 1 1.73 0.02 . 1 . . . . . . . . 5729 1 295 . 1 1 24 24 LYS HB3 H 1 1.73 0.02 . 1 . . . . . . . . 5729 1 296 . 1 1 24 24 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 5729 1 297 . 1 1 24 24 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 5729 1 298 . 1 1 24 24 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 5729 1 299 . 1 1 24 24 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 5729 1 300 . 1 1 24 24 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 5729 1 301 . 1 1 24 24 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 5729 1 302 . 1 1 24 24 LYS C C 13 175.1 0.3 . 1 . . . . . . . . 5729 1 303 . 1 1 24 24 LYS CA C 13 53.4 0.3 . 1 . . . . . . . . 5729 1 304 . 1 1 24 24 LYS CB C 13 35.5 0.3 . 1 . . . . . . . . 5729 1 305 . 1 1 24 24 LYS CG C 13 24.7 0.3 . 1 . . . . . . . . 5729 1 306 . 1 1 24 24 LYS CD C 13 28.9 0.3 . 1 . . . . . . . . 5729 1 307 . 1 1 24 24 LYS CE C 13 42.5 0.3 . 1 . . . . . . . . 5729 1 308 . 1 1 24 24 LYS N N 15 122.7 0.2 . 1 . . . . . . . . 5729 1 309 . 1 1 25 25 ARG H H 1 9.06 0.02 . 1 . . . . . . . . 5729 1 310 . 1 1 25 25 ARG HA H 1 3.22 0.02 . 1 . . . . . . . . 5729 1 311 . 1 1 25 25 ARG HB2 H 1 1.61 0.02 . 2 . . . . . . . . 5729 1 312 . 1 1 25 25 ARG HB3 H 1 1.43 0.02 . 2 . . . . . . . . 5729 1 313 . 1 1 25 25 ARG HG2 H 1 1.58 0.02 . 2 . . . . . . . . 5729 1 314 . 1 1 25 25 ARG HG3 H 1 1.28 0.02 . 2 . . . . . . . . 5729 1 315 . 1 1 25 25 ARG HD2 H 1 3.11 0.02 . 1 . . . . . . . . 5729 1 316 . 1 1 25 25 ARG HD3 H 1 3.11 0.02 . 1 . . . . . . . . 5729 1 317 . 1 1 25 25 ARG C C 13 176.1 0.3 . 1 . . . . . . . . 5729 1 318 . 1 1 25 25 ARG CA C 13 58.8 0.3 . 1 . . . . . . . . 5729 1 319 . 1 1 25 25 ARG CB C 13 30.2 0.3 . 1 . . . . . . . . 5729 1 320 . 1 1 25 25 ARG CG C 13 26.9 0.3 . 1 . . . . . . . . 5729 1 321 . 1 1 25 25 ARG CD C 13 43.7 0.3 . 1 . . . . . . . . 5729 1 322 . 1 1 25 25 ARG NE N 15 121.7 0.2 . 1 . . . . . . . . 5729 1 323 . 1 1 26 26 GLY H H 1 8.72 0.02 . 1 . . . . . . . . 5729 1 324 . 1 1 26 26 GLY HA2 H 1 4.42 0.02 . 2 . . . . . . . . 5729 1 325 . 1 1 26 26 GLY HA3 H 1 3.43 0.02 . 2 . . . . . . . . 5729 1 326 . 1 1 26 26 GLY C C 13 174.3 0.3 . 1 . . . . . . . . 5729 1 327 . 1 1 26 26 GLY CA C 13 44.9 0.3 . 1 . . . . . . . . 5729 1 328 . 1 1 26 26 GLY N N 15 116.1 0.2 . 1 . . . . . . . . 5729 1 329 . 1 1 27 27 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 5729 1 330 . 1 1 27 27 ASP HA H 1 4.44 0.02 . 1 . . . . . . . . 5729 1 331 . 1 1 27 27 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5729 1 332 . 1 1 27 27 ASP HB3 H 1 2.32 0.02 . 2 . . . . . . . . 5729 1 333 . 1 1 27 27 ASP C C 13 174.6 0.3 . 1 . . . . . . . . 5729 1 334 . 1 1 27 27 ASP CA C 13 56.2 0.3 . 1 . . . . . . . . 5729 1 335 . 1 1 27 27 ASP CB C 13 41.7 0.3 . 1 . . . . . . . . 5729 1 336 . 1 1 27 27 ASP N N 15 124.5 0.2 . 1 . . . . . . . . 5729 1 337 . 1 1 28 28 VAL H H 1 8.25 0.02 . 1 . . . . . . . . 5729 1 338 . 1 1 28 28 VAL HA H 1 4.15 0.02 . 1 . . . . . . . . 5729 1 339 . 1 1 28 28 VAL HB H 1 1.61 0.02 . 1 . . . . . . . . 5729 1 340 . 1 1 28 28 VAL HG11 H 1 0.27 0.02 . 2 . . . . . . . . 5729 1 341 . 1 1 28 28 VAL HG12 H 1 0.27 0.02 . 2 . . . . . . . . 5729 1 342 . 1 1 28 28 VAL HG13 H 1 0.27 0.02 . 2 . . . . . . . . 5729 1 343 . 1 1 28 28 VAL HG21 H 1 0.22 0.02 . 2 . . . . . . . . 5729 1 344 . 1 1 28 28 VAL HG22 H 1 0.22 0.02 . 2 . . . . . . . . 5729 1 345 . 1 1 28 28 VAL HG23 H 1 0.22 0.02 . 2 . . . . . . . . 5729 1 346 . 1 1 28 28 VAL C C 13 174.6 0.3 . 1 . . . . . . . . 5729 1 347 . 1 1 28 28 VAL CA C 13 62.8 0.3 . 1 . . . . . . . . 5729 1 348 . 1 1 28 28 VAL CB C 13 31.7 0.3 . 1 . . . . . . . . 5729 1 349 . 1 1 28 28 VAL CG1 C 13 21.4 0.3 . 2 . . . . . . . . 5729 1 350 . 1 1 28 28 VAL CG2 C 13 20.5 0.3 . 2 . . . . . . . . 5729 1 351 . 1 1 28 28 VAL N N 15 122.2 0.2 . 1 . . . . . . . . 5729 1 352 . 1 1 29 29 ILE H H 1 9.09 0.02 . 1 . . . . . . . . 5729 1 353 . 1 1 29 29 ILE HA H 1 4.02 0.02 . 1 . . . . . . . . 5729 1 354 . 1 1 29 29 ILE HB H 1 1.23 0.02 . 1 . . . . . . . . 5729 1 355 . 1 1 29 29 ILE HG13 H 1 1.01 0.02 . 1 . . . . . . . . 5729 1 356 . 1 1 29 29 ILE HG12 H 1 0.42 0.02 . 1 . . . . . . . . 5729 1 357 . 1 1 29 29 ILE HG21 H 1 0.53 0.02 . 1 . . . . . . . . 5729 1 358 . 1 1 29 29 ILE HG22 H 1 0.53 0.02 . 1 . . . . . . . . 5729 1 359 . 1 1 29 29 ILE HG23 H 1 0.53 0.02 . 1 . . . . . . . . 5729 1 360 . 1 1 29 29 ILE HD11 H 1 -0.48 0.02 . 1 . . . . . . . . 5729 1 361 . 1 1 29 29 ILE HD12 H 1 -0.48 0.02 . 1 . . . . . . . . 5729 1 362 . 1 1 29 29 ILE HD13 H 1 -0.48 0.02 . 1 . . . . . . . . 5729 1 363 . 1 1 29 29 ILE C C 13 175.3 0.3 . 1 . . . . . . . . 5729 1 364 . 1 1 29 29 ILE CA C 13 60.9 0.3 . 1 . . . . . . . . 5729 1 365 . 1 1 29 29 ILE CB C 13 42.1 0.3 . 1 . . . . . . . . 5729 1 366 . 1 1 29 29 ILE CG1 C 13 29.4 0.3 . 1 . . . . . . . . 5729 1 367 . 1 1 29 29 ILE CG2 C 13 18.1 0.3 . 1 . . . . . . . . 5729 1 368 . 1 1 29 29 ILE CD1 C 13 14.6 0.3 . 1 . . . . . . . . 5729 1 369 . 1 1 29 29 ILE N N 15 132.1 0.2 . 1 . . . . . . . . 5729 1 370 . 1 1 30 30 THR H H 1 8.96 0.02 . 1 . . . . . . . . 5729 1 371 . 1 1 30 30 THR HA H 1 4.44 0.02 . 1 . . . . . . . . 5729 1 372 . 1 1 30 30 THR HB H 1 4.24 0.02 . 1 . . . . . . . . 5729 1 373 . 1 1 30 30 THR HG21 H 1 1.02 0.02 . 1 . . . . . . . . 5729 1 374 . 1 1 30 30 THR HG22 H 1 1.02 0.02 . 1 . . . . . . . . 5729 1 375 . 1 1 30 30 THR HG23 H 1 1.02 0.02 . 1 . . . . . . . . 5729 1 376 . 1 1 30 30 THR C C 13 173.6 0.3 . 1 . . . . . . . . 5729 1 377 . 1 1 30 30 THR CA C 13 63.3 0.3 . 1 . . . . . . . . 5729 1 378 . 1 1 30 30 THR CB C 13 69.6 0.3 . 1 . . . . . . . . 5729 1 379 . 1 1 30 30 THR CG2 C 13 21.1 0.3 . 1 . . . . . . . . 5729 1 380 . 1 1 30 30 THR N N 15 125.3 0.2 . 1 . . . . . . . . 5729 1 381 . 1 1 31 31 LEU H H 1 8.87 0.02 . 1 . . . . . . . . 5729 1 382 . 1 1 31 31 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 5729 1 383 . 1 1 31 31 LEU HB2 H 1 1.45 0.02 . 2 . . . . . . . . 5729 1 384 . 1 1 31 31 LEU HB3 H 1 1.31 0.02 . 2 . . . . . . . . 5729 1 385 . 1 1 31 31 LEU HG H 1 1.29 0.02 . 1 . . . . . . . . 5729 1 386 . 1 1 31 31 LEU HD21 H 1 0.61 0.02 . 1 . . . . . . . . 5729 1 387 . 1 1 31 31 LEU HD22 H 1 0.61 0.02 . 1 . . . . . . . . 5729 1 388 . 1 1 31 31 LEU HD23 H 1 0.61 0.02 . 1 . . . . . . . . 5729 1 389 . 1 1 31 31 LEU HD11 H 1 0.72 0.02 . 1 . . . . . . . . 5729 1 390 . 1 1 31 31 LEU HD12 H 1 0.72 0.02 . 1 . . . . . . . . 5729 1 391 . 1 1 31 31 LEU HD13 H 1 0.72 0.02 . 1 . . . . . . . . 5729 1 392 . 1 1 31 31 LEU C C 13 175.1 0.3 . 1 . . . . . . . . 5729 1 393 . 1 1 31 31 LEU CA C 13 56.0 0.3 . 1 . . . . . . . . 5729 1 394 . 1 1 31 31 LEU CB C 13 43.3 0.3 . 1 . . . . . . . . 5729 1 395 . 1 1 31 31 LEU CG C 13 27.2 0.3 . 1 . . . . . . . . 5729 1 396 . 1 1 31 31 LEU CD2 C 13 25.1 0.3 . 1 . . . . . . . . 5729 1 397 . 1 1 31 31 LEU CD1 C 13 24.9 0.3 . 1 . . . . . . . . 5729 1 398 . 1 1 31 31 LEU N N 15 131.1 0.2 . 1 . . . . . . . . 5729 1 399 . 1 1 32 32 ILE H H 1 9.07 0.02 . 1 . . . . . . . . 5729 1 400 . 1 1 32 32 ILE HA H 1 4.10 0.02 . 1 . . . . . . . . 5729 1 401 . 1 1 32 32 ILE HB H 1 1.30 0.02 . 1 . . . . . . . . 5729 1 402 . 1 1 32 32 ILE HG13 H 1 1.31 0.02 . 1 . . . . . . . . 5729 1 403 . 1 1 32 32 ILE HG12 H 1 1.15 0.02 . 1 . . . . . . . . 5729 1 404 . 1 1 32 32 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 5729 1 405 . 1 1 32 32 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 5729 1 406 . 1 1 32 32 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 5729 1 407 . 1 1 32 32 ILE HD11 H 1 0.73 0.02 . 1 . . . . . . . . 5729 1 408 . 1 1 32 32 ILE HD12 H 1 0.73 0.02 . 1 . . . . . . . . 5729 1 409 . 1 1 32 32 ILE HD13 H 1 0.73 0.02 . 1 . . . . . . . . 5729 1 410 . 1 1 32 32 ILE C C 13 175.3 0.3 . 1 . . . . . . . . 5729 1 411 . 1 1 32 32 ILE CA C 13 62.0 0.3 . 1 . . . . . . . . 5729 1 412 . 1 1 32 32 ILE CB C 13 39.3 0.3 . 1 . . . . . . . . 5729 1 413 . 1 1 32 32 ILE CG1 C 13 27.7 0.3 . 1 . . . . . . . . 5729 1 414 . 1 1 32 32 ILE CG2 C 13 17.1 0.3 . 1 . . . . . . . . 5729 1 415 . 1 1 32 32 ILE CD1 C 13 12.1 0.3 . 1 . . . . . . . . 5729 1 416 . 1 1 32 32 ILE N N 15 126.1 0.2 . 1 . . . . . . . . 5729 1 417 . 1 1 33 33 ASN H H 1 7.78 0.02 . 1 . . . . . . . . 5729 1 418 . 1 1 33 33 ASN HA H 1 4.62 0.02 . 1 . . . . . . . . 5729 1 419 . 1 1 33 33 ASN HB2 H 1 2.71 0.02 . 1 . . . . . . . . 5729 1 420 . 1 1 33 33 ASN HB3 H 1 2.71 0.02 . 1 . . . . . . . . 5729 1 421 . 1 1 33 33 ASN HD22 H 1 6.93 0.02 . 1 . . . . . . . . 5729 1 422 . 1 1 33 33 ASN HD21 H 1 7.68 0.02 . 1 . . . . . . . . 5729 1 423 . 1 1 33 33 ASN C C 13 172.3 0.3 . 1 . . . . . . . . 5729 1 424 . 1 1 33 33 ASN CA C 13 54.5 0.3 . 1 . . . . . . . . 5729 1 425 . 1 1 33 33 ASN CB C 13 42.4 0.3 . 1 . . . . . . . . 5729 1 426 . 1 1 33 33 ASN CG C 13 175.7 0.3 . 1 . . . . . . . . 5729 1 427 . 1 1 33 33 ASN N N 15 116.2 0.2 . 1 . . . . . . . . 5729 1 428 . 1 1 33 33 ASN ND2 N 15 115.6 0.2 . 1 . . . . . . . . 5729 1 429 . 1 1 34 34 LYS H H 1 8.71 0.02 . 1 . . . . . . . . 5729 1 430 . 1 1 34 34 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 5729 1 431 . 1 1 34 34 LYS HB3 H 1 0.56 0.02 . 1 . . . . . . . . 5729 1 432 . 1 1 34 34 LYS HB2 H 1 0.33 0.02 . 1 . . . . . . . . 5729 1 433 . 1 1 34 34 LYS HG3 H 1 0.66 0.02 . 1 . . . . . . . . 5729 1 434 . 1 1 34 34 LYS HG2 H 1 0.35 0.02 . 1 . . . . . . . . 5729 1 435 . 1 1 34 34 LYS HD2 H 1 0.94 0.02 . 1 . . . . . . . . 5729 1 436 . 1 1 34 34 LYS HD3 H 1 0.94 0.02 . 1 . . . . . . . . 5729 1 437 . 1 1 34 34 LYS HE3 H 1 2.39 0.02 . 1 . . . . . . . . 5729 1 438 . 1 1 34 34 LYS HE2 H 1 2.08 0.02 . 1 . . . . . . . . 5729 1 439 . 1 1 34 34 LYS C C 13 174.6 0.3 . 1 . . . . . . . . 5729 1 440 . 1 1 34 34 LYS CA C 13 54.6 0.3 . 1 . . . . . . . . 5729 1 441 . 1 1 34 34 LYS CB C 13 30.3 0.3 . 1 . . . . . . . . 5729 1 442 . 1 1 34 34 LYS CG C 13 22.4 0.3 . 1 . . . . . . . . 5729 1 443 . 1 1 34 34 LYS CD C 13 29.4 0.3 . 1 . . . . . . . . 5729 1 444 . 1 1 34 34 LYS CE C 13 41.5 0.3 . 1 . . . . . . . . 5729 1 445 . 1 1 34 34 LYS N N 15 124.6 0.2 . 1 . . . . . . . . 5729 1 446 . 1 1 35 35 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 5729 1 447 . 1 1 35 35 ASP HA H 1 4.19 0.02 . 1 . . . . . . . . 5729 1 448 . 1 1 35 35 ASP HB2 H 1 2.69 0.02 . 1 . . . . . . . . 5729 1 449 . 1 1 35 35 ASP HB3 H 1 2.69 0.02 . 1 . . . . . . . . 5729 1 450 . 1 1 35 35 ASP C C 13 176.4 0.3 . 1 . . . . . . . . 5729 1 451 . 1 1 35 35 ASP CA C 13 54.7 0.3 . 1 . . . . . . . . 5729 1 452 . 1 1 35 35 ASP CB C 13 40.5 0.3 . 1 . . . . . . . . 5729 1 453 . 1 1 35 35 ASP N N 15 122.8 0.2 . 1 . . . . . . . . 5729 1 454 . 1 1 36 36 ASP H H 1 8.59 0.02 . 1 . . . . . . . . 5729 1 455 . 1 1 36 36 ASP HA H 1 4.99 0.02 . 1 . . . . . . . . 5729 1 456 . 1 1 36 36 ASP HB3 H 1 3.54 0.02 . 1 . . . . . . . . 5729 1 457 . 1 1 36 36 ASP HB2 H 1 2.61 0.02 . 1 . . . . . . . . 5729 1 458 . 1 1 36 36 ASP C C 13 173.8 0.3 . 1 . . . . . . . . 5729 1 459 . 1 1 36 36 ASP CA C 13 51.4 0.3 . 1 . . . . . . . . 5729 1 460 . 1 1 36 36 ASP CB C 13 43.9 0.3 . 1 . . . . . . . . 5729 1 461 . 1 1 36 36 ASP N N 15 123.6 0.2 . 1 . . . . . . . . 5729 1 462 . 1 1 37 37 PRO HA H 1 4.59 0.02 . 1 . . . . . . . . 5729 1 463 . 1 1 37 37 PRO HB3 H 1 2.34 0.02 . 1 . . . . . . . . 5729 1 464 . 1 1 37 37 PRO HB2 H 1 1.83 0.02 . 1 . . . . . . . . 5729 1 465 . 1 1 37 37 PRO HG2 H 1 1.99 0.02 . 1 . . . . . . . . 5729 1 466 . 1 1 37 37 PRO HG3 H 1 1.99 0.02 . 1 . . . . . . . . 5729 1 467 . 1 1 37 37 PRO HD2 H 1 3.79 0.02 . 1 . . . . . . . . 5729 1 468 . 1 1 37 37 PRO HD3 H 1 3.79 0.02 . 1 . . . . . . . . 5729 1 469 . 1 1 37 37 PRO C C 13 177.6 0.3 . 1 . . . . . . . . 5729 1 470 . 1 1 37 37 PRO CA C 13 64.4 0.3 . 1 . . . . . . . . 5729 1 471 . 1 1 37 37 PRO CB C 13 32.5 0.3 . 1 . . . . . . . . 5729 1 472 . 1 1 37 37 PRO CG C 13 27.6 0.3 . 1 . . . . . . . . 5729 1 473 . 1 1 37 37 PRO CD C 13 50.7 0.3 . 1 . . . . . . . . 5729 1 474 . 1 1 38 38 ASN H H 1 8.63 0.02 . 1 . . . . . . . . 5729 1 475 . 1 1 38 38 ASN HA H 1 4.48 0.02 . 1 . . . . . . . . 5729 1 476 . 1 1 38 38 ASN HB3 H 1 2.76 0.02 . 1 . . . . . . . . 5729 1 477 . 1 1 38 38 ASN HB2 H 1 2.36 0.02 . 1 . . . . . . . . 5729 1 478 . 1 1 38 38 ASN HD21 H 1 6.99 0.02 . 2 . . . . . . . . 5729 1 479 . 1 1 38 38 ASN HD22 H 1 7.92 0.02 . 2 . . . . . . . . 5729 1 480 . 1 1 38 38 ASN C C 13 174.3 0.3 . 1 . . . . . . . . 5729 1 481 . 1 1 38 38 ASN CA C 13 54.6 0.3 . 1 . . . . . . . . 5729 1 482 . 1 1 38 38 ASN CB C 13 41.4 0.3 . 1 . . . . . . . . 5729 1 483 . 1 1 38 38 ASN CG C 13 176.2 0.3 . 1 . . . . . . . . 5729 1 484 . 1 1 38 38 ASN N N 15 115.6 0.2 . 1 . . . . . . . . 5729 1 485 . 1 1 38 38 ASN ND2 N 15 115.6 0.2 . 1 . . . . . . . . 5729 1 486 . 1 1 39 39 TRP H H 1 8.32 0.02 . 1 . . . . . . . . 5729 1 487 . 1 1 39 39 TRP HA H 1 4.80 0.02 . 1 . . . . . . . . 5729 1 488 . 1 1 39 39 TRP HB2 H 1 2.82 0.02 . 1 . . . . . . . . 5729 1 489 . 1 1 39 39 TRP HB3 H 1 2.82 0.02 . 1 . . . . . . . . 5729 1 490 . 1 1 39 39 TRP HD1 H 1 7.12 0.02 . 1 . . . . . . . . 5729 1 491 . 1 1 39 39 TRP HE1 H 1 9.94 0.02 . 1 . . . . . . . . 5729 1 492 . 1 1 39 39 TRP HE3 H 1 7.00 0.02 . 4 . . . . . . . . 5729 1 493 . 1 1 39 39 TRP HZ2 H 1 7.37 0.02 . 1 . . . . . . . . 5729 1 494 . 1 1 39 39 TRP HZ3 H 1 7.12 0.02 . 1 . . . . . . . . 5729 1 495 . 1 1 39 39 TRP HH2 H 1 6.69 0.02 . 4 . . . . . . . . 5729 1 496 . 1 1 39 39 TRP C C 13 174.0 0.3 . 1 . . . . . . . . 5729 1 497 . 1 1 39 39 TRP CA C 13 56.2 0.3 . 1 . . . . . . . . 5729 1 498 . 1 1 39 39 TRP CB C 13 31.0 0.3 . 1 . . . . . . . . 5729 1 499 . 1 1 39 39 TRP CD1 C 13 127.5 0.3 . 1 . . . . . . . . 5729 1 500 . 1 1 39 39 TRP CE3 C 13 120.1 0.3 . 4 . . . . . . . . 5729 1 501 . 1 1 39 39 TRP CZ2 C 13 114.7 0.3 . 1 . . . . . . . . 5729 1 502 . 1 1 39 39 TRP CZ3 C 13 124.5 0.3 . 1 . . . . . . . . 5729 1 503 . 1 1 39 39 TRP CH2 C 13 120.0 0.3 . 4 . . . . . . . . 5729 1 504 . 1 1 39 39 TRP N N 15 124.7 0.2 . 1 . . . . . . . . 5729 1 505 . 1 1 39 39 TRP NE1 N 15 129.4 0.2 . 1 . . . . . . . . 5729 1 506 . 1 1 40 40 TRP H H 1 8.16 0.02 . 1 . . . . . . . . 5729 1 507 . 1 1 40 40 TRP HA H 1 5.09 0.02 . 1 . . . . . . . . 5729 1 508 . 1 1 40 40 TRP HB3 H 1 2.77 0.02 . 1 . . . . . . . . 5729 1 509 . 1 1 40 40 TRP HB2 H 1 2.04 0.02 . 1 . . . . . . . . 5729 1 510 . 1 1 40 40 TRP HD1 H 1 7.34 0.02 . 1 . . . . . . . . 5729 1 511 . 1 1 40 40 TRP HE1 H 1 9.35 0.02 . 1 . . . . . . . . 5729 1 512 . 1 1 40 40 TRP HE3 H 1 7.23 0.02 . 4 . . . . . . . . 5729 1 513 . 1 1 40 40 TRP HZ2 H 1 7.97 0.02 . 1 . . . . . . . . 5729 1 514 . 1 1 40 40 TRP HZ3 H 1 7.14 0.02 . 1 . . . . . . . . 5729 1 515 . 1 1 40 40 TRP HH2 H 1 6.83 0.02 . 4 . . . . . . . . 5729 1 516 . 1 1 40 40 TRP C C 13 172.3 0.3 . 1 . . . . . . . . 5729 1 517 . 1 1 40 40 TRP CA C 13 53.1 0.3 . 1 . . . . . . . . 5729 1 518 . 1 1 40 40 TRP CB C 13 32.5 0.3 . 1 . . . . . . . . 5729 1 519 . 1 1 40 40 TRP CD1 C 13 125.4 0.3 . 1 . . . . . . . . 5729 1 520 . 1 1 40 40 TRP CE3 C 13 119.8 0.3 . 4 . . . . . . . . 5729 1 521 . 1 1 40 40 TRP CZ2 C 13 114.6 0.3 . 1 . . . . . . . . 5729 1 522 . 1 1 40 40 TRP CZ3 C 13 124.4 0.3 . 1 . . . . . . . . 5729 1 523 . 1 1 40 40 TRP CH2 C 13 121.1 0.3 . 4 . . . . . . . . 5729 1 524 . 1 1 40 40 TRP N N 15 127.2 0.2 . 1 . . . . . . . . 5729 1 525 . 1 1 40 40 TRP NE1 N 15 130.0 0.2 . 1 . . . . . . . . 5729 1 526 . 1 1 41 41 GLU H H 1 8.70 0.02 . 1 . . . . . . . . 5729 1 527 . 1 1 41 41 GLU HA H 1 5.15 0.02 . 1 . . . . . . . . 5729 1 528 . 1 1 41 41 GLU HB2 H 1 1.96 0.02 . 1 . . . . . . . . 5729 1 529 . 1 1 41 41 GLU HB3 H 1 1.96 0.02 . 1 . . . . . . . . 5729 1 530 . 1 1 41 41 GLU HG3 H 1 2.23 0.02 . 1 . . . . . . . . 5729 1 531 . 1 1 41 41 GLU HG2 H 1 2.12 0.02 . 1 . . . . . . . . 5729 1 532 . 1 1 41 41 GLU C C 13 176.3 0.3 . 1 . . . . . . . . 5729 1 533 . 1 1 41 41 GLU CA C 13 54.5 0.3 . 1 . . . . . . . . 5729 1 534 . 1 1 41 41 GLU CB C 13 32.6 0.3 . 1 . . . . . . . . 5729 1 535 . 1 1 41 41 GLU CG C 13 35.4 0.3 . 1 . . . . . . . . 5729 1 536 . 1 1 41 41 GLU N N 15 119.5 0.2 . 1 . . . . . . . . 5729 1 537 . 1 1 42 42 GLY H H 1 9.37 0.02 . 1 . . . . . . . . 5729 1 538 . 1 1 42 42 GLY HA2 H 1 5.22 0.02 . 2 . . . . . . . . 5729 1 539 . 1 1 42 42 GLY HA3 H 1 3.82 0.02 . 2 . . . . . . . . 5729 1 540 . 1 1 42 42 GLY C C 13 169.0 0.3 . 1 . . . . . . . . 5729 1 541 . 1 1 42 42 GLY CA C 13 45.8 0.3 . 1 . . . . . . . . 5729 1 542 . 1 1 42 42 GLY N N 15 115.3 0.2 . 1 . . . . . . . . 5729 1 543 . 1 1 43 43 GLN H H 1 9.04 0.02 . 1 . . . . . . . . 5729 1 544 . 1 1 43 43 GLN HA H 1 5.58 0.02 . 1 . . . . . . . . 5729 1 545 . 1 1 43 43 GLN HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5729 1 546 . 1 1 43 43 GLN HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5729 1 547 . 1 1 43 43 GLN HG2 H 1 2.25 0.02 . 1 . . . . . . . . 5729 1 548 . 1 1 43 43 GLN HG3 H 1 2.25 0.02 . 1 . . . . . . . . 5729 1 549 . 1 1 43 43 GLN HE22 H 1 6.83 0.02 . 1 . . . . . . . . 5729 1 550 . 1 1 43 43 GLN HE21 H 1 7.44 0.02 . 1 . . . . . . . . 5729 1 551 . 1 1 43 43 GLN C C 13 173.0 0.3 . 1 . . . . . . . . 5729 1 552 . 1 1 43 43 GLN CA C 13 54.3 0.3 . 1 . . . . . . . . 5729 1 553 . 1 1 43 43 GLN CB C 13 33.3 0.3 . 1 . . . . . . . . 5729 1 554 . 1 1 43 43 GLN CG C 13 33.6 0.3 . 1 . . . . . . . . 5729 1 555 . 1 1 43 43 GLN CD C 13 179.3 0.3 . 1 . . . . . . . . 5729 1 556 . 1 1 43 43 GLN N N 15 119.7 0.2 . 1 . . . . . . . . 5729 1 557 . 1 1 43 43 GLN NE2 N 15 111.4 0.2 . 1 . . . . . . . . 5729 1 558 . 1 1 44 44 LEU H H 1 8.92 0.02 . 1 . . . . . . . . 5729 1 559 . 1 1 44 44 LEU HA H 1 4.72 0.02 . 1 . . . . . . . . 5729 1 560 . 1 1 44 44 LEU HB2 H 1 1.83 0.02 . 2 . . . . . . . . 5729 1 561 . 1 1 44 44 LEU HB3 H 1 1.39 0.02 . 2 . . . . . . . . 5729 1 562 . 1 1 44 44 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 5729 1 563 . 1 1 44 44 LEU HD11 H 1 1.01 0.02 . 2 . . . . . . . . 5729 1 564 . 1 1 44 44 LEU HD12 H 1 1.01 0.02 . 2 . . . . . . . . 5729 1 565 . 1 1 44 44 LEU HD13 H 1 1.01 0.02 . 2 . . . . . . . . 5729 1 566 . 1 1 44 44 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 5729 1 567 . 1 1 44 44 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 5729 1 568 . 1 1 44 44 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 5729 1 569 . 1 1 44 44 LEU C C 13 175.3 0.3 . 1 . . . . . . . . 5729 1 570 . 1 1 44 44 LEU CA C 13 54.5 0.3 . 1 . . . . . . . . 5729 1 571 . 1 1 44 44 LEU CB C 13 46.2 0.3 . 1 . . . . . . . . 5729 1 572 . 1 1 44 44 LEU CG C 13 27.6 0.3 . 1 . . . . . . . . 5729 1 573 . 1 1 44 44 LEU CD1 C 13 27.2 0.3 . 1 . . . . . . . . 5729 1 574 . 1 1 44 44 LEU CD2 C 13 23.9 0.3 . 1 . . . . . . . . 5729 1 575 . 1 1 44 44 LEU N N 15 128.0 0.2 . 1 . . . . . . . . 5729 1 576 . 1 1 45 45 ASN H H 1 9.73 0.02 . 1 . . . . . . . . 5729 1 577 . 1 1 45 45 ASN HA H 1 4.30 0.02 . 1 . . . . . . . . 5729 1 578 . 1 1 45 45 ASN HB2 H 1 2.93 0.02 . 1 . . . . . . . . 5729 1 579 . 1 1 45 45 ASN HB3 H 1 2.93 0.02 . 1 . . . . . . . . 5729 1 580 . 1 1 45 45 ASN HD22 H 1 7.08 0.02 . 1 . . . . . . . . 5729 1 581 . 1 1 45 45 ASN HD21 H 1 7.66 0.02 . 1 . . . . . . . . 5729 1 582 . 1 1 45 45 ASN C C 13 173.9 0.3 . 1 . . . . . . . . 5729 1 583 . 1 1 45 45 ASN CA C 13 55.2 0.3 . 1 . . . . . . . . 5729 1 584 . 1 1 45 45 ASN CB C 13 37.3 0.3 . 1 . . . . . . . . 5729 1 585 . 1 1 45 45 ASN CG C 13 176.8 0.3 . 1 . . . . . . . . 5729 1 586 . 1 1 45 45 ASN N N 15 127.8 0.2 . 1 . . . . . . . . 5729 1 587 . 1 1 45 45 ASN ND2 N 15 114.4 0.2 . 1 . . . . . . . . 5729 1 588 . 1 1 46 46 ASN H H 1 8.79 0.02 . 1 . . . . . . . . 5729 1 589 . 1 1 46 46 ASN HA H 1 4.45 0.02 . 1 . . . . . . . . 5729 1 590 . 1 1 46 46 ASN HB2 H 1 2.99 0.02 . 1 . . . . . . . . 5729 1 591 . 1 1 46 46 ASN HB3 H 1 2.99 0.02 . 1 . . . . . . . . 5729 1 592 . 1 1 46 46 ASN HD22 H 1 6.93 0.02 . 1 . . . . . . . . 5729 1 593 . 1 1 46 46 ASN HD21 H 1 7.57 0.02 . 1 . . . . . . . . 5729 1 594 . 1 1 46 46 ASN C C 13 173.7 0.3 . 1 . . . . . . . . 5729 1 595 . 1 1 46 46 ASN CA C 13 54.9 0.3 . 1 . . . . . . . . 5729 1 596 . 1 1 46 46 ASN CB C 13 37.6 0.3 . 1 . . . . . . . . 5729 1 597 . 1 1 46 46 ASN CG C 13 177.9 0.3 . 1 . . . . . . . . 5729 1 598 . 1 1 46 46 ASN N N 15 114.7 0.2 . 1 . . . . . . . . 5729 1 599 . 1 1 46 46 ASN ND2 N 15 113.9 0.2 . 1 . . . . . . . . 5729 1 600 . 1 1 47 47 ARG H H 1 8.10 0.02 . 1 . . . . . . . . 5729 1 601 . 1 1 47 47 ARG HA H 1 4.68 0.02 . 1 . . . . . . . . 5729 1 602 . 1 1 47 47 ARG HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5729 1 603 . 1 1 47 47 ARG HB3 H 1 1.83 0.02 . 2 . . . . . . . . 5729 1 604 . 1 1 47 47 ARG HG2 H 1 1.75 0.02 . 2 . . . . . . . . 5729 1 605 . 1 1 47 47 ARG HG3 H 1 1.67 0.02 . 2 . . . . . . . . 5729 1 606 . 1 1 47 47 ARG HD2 H 1 3.33 0.02 . 1 . . . . . . . . 5729 1 607 . 1 1 47 47 ARG HD3 H 1 3.33 0.02 . 1 . . . . . . . . 5729 1 608 . 1 1 47 47 ARG C C 13 173.6 0.3 . 1 . . . . . . . . 5729 1 609 . 1 1 47 47 ARG CA C 13 55.6 0.3 . 1 . . . . . . . . 5729 1 610 . 1 1 47 47 ARG CB C 13 32.7 0.3 . 1 . . . . . . . . 5729 1 611 . 1 1 47 47 ARG CG C 13 28.2 0.3 . 1 . . . . . . . . 5729 1 612 . 1 1 47 47 ARG CD C 13 43.5 0.3 . 1 . . . . . . . . 5729 1 613 . 1 1 47 47 ARG N N 15 121.6 0.2 . 1 . . . . . . . . 5729 1 614 . 1 1 48 48 ARG H H 1 8.50 0.02 . 1 . . . . . . . . 5729 1 615 . 1 1 48 48 ARG HA H 1 5.63 0.02 . 1 . . . . . . . . 5729 1 616 . 1 1 48 48 ARG HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5729 1 617 . 1 1 48 48 ARG HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5729 1 618 . 1 1 48 48 ARG HG2 H 1 1.62 0.02 . 1 . . . . . . . . 5729 1 619 . 1 1 48 48 ARG HG3 H 1 1.62 0.02 . 1 . . . . . . . . 5729 1 620 . 1 1 48 48 ARG HD2 H 1 3.09 0.02 . 1 . . . . . . . . 5729 1 621 . 1 1 48 48 ARG HD3 H 1 3.09 0.02 . 1 . . . . . . . . 5729 1 622 . 1 1 48 48 ARG C C 13 175.6 0.3 . 1 . . . . . . . . 5729 1 623 . 1 1 48 48 ARG CA C 13 54.6 0.3 . 1 . . . . . . . . 5729 1 624 . 1 1 48 48 ARG CB C 13 34.6 0.3 . 1 . . . . . . . . 5729 1 625 . 1 1 48 48 ARG CG C 13 27.2 0.3 . 1 . . . . . . . . 5729 1 626 . 1 1 48 48 ARG CD C 13 44.0 0.3 . 1 . . . . . . . . 5729 1 627 . 1 1 48 48 ARG N N 15 121.6 0.2 . 1 . . . . . . . . 5729 1 628 . 1 1 49 49 GLY H H 1 8.72 0.02 . 1 . . . . . . . . 5729 1 629 . 1 1 49 49 GLY HA2 H 1 4.30 0.02 . 2 . . . . . . . . 5729 1 630 . 1 1 49 49 GLY HA3 H 1 4.04 0.02 . 2 . . . . . . . . 5729 1 631 . 1 1 49 49 GLY C C 13 171.3 0.3 . 1 . . . . . . . . 5729 1 632 . 1 1 49 49 GLY CA C 13 45.8 0.3 . 1 . . . . . . . . 5729 1 633 . 1 1 49 49 GLY N N 15 110.5 0.2 . 1 . . . . . . . . 5729 1 634 . 1 1 50 50 ILE H H 1 8.42 0.02 . 1 . . . . . . . . 5729 1 635 . 1 1 50 50 ILE HA H 1 6.11 0.02 . 1 . . . . . . . . 5729 1 636 . 1 1 50 50 ILE HB H 1 1.99 0.02 . 1 . . . . . . . . 5729 1 637 . 1 1 50 50 ILE HG12 H 1 1.43 0.02 . 2 . . . . . . . . 5729 1 638 . 1 1 50 50 ILE HG13 H 1 1.16 0.02 . 2 . . . . . . . . 5729 1 639 . 1 1 50 50 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5729 1 640 . 1 1 50 50 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5729 1 641 . 1 1 50 50 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5729 1 642 . 1 1 50 50 ILE HD11 H 1 0.40 0.02 . 1 . . . . . . . . 5729 1 643 . 1 1 50 50 ILE HD12 H 1 0.40 0.02 . 1 . . . . . . . . 5729 1 644 . 1 1 50 50 ILE HD13 H 1 0.40 0.02 . 1 . . . . . . . . 5729 1 645 . 1 1 50 50 ILE C C 13 176.6 0.3 . 1 . . . . . . . . 5729 1 646 . 1 1 50 50 ILE CA C 13 60.2 0.3 . 1 . . . . . . . . 5729 1 647 . 1 1 50 50 ILE CB C 13 41.8 0.3 . 1 . . . . . . . . 5729 1 648 . 1 1 50 50 ILE CG1 C 13 26.3 0.3 . 1 . . . . . . . . 5729 1 649 . 1 1 50 50 ILE CG2 C 13 17.5 0.3 . 1 . . . . . . . . 5729 1 650 . 1 1 50 50 ILE CD1 C 13 13.4 0.3 . 1 . . . . . . . . 5729 1 651 . 1 1 50 50 ILE N N 15 114.2 0.2 . 1 . . . . . . . . 5729 1 652 . 1 1 51 51 PHE H H 1 8.94 0.02 . 1 . . . . . . . . 5729 1 653 . 1 1 51 51 PHE HA H 1 5.13 0.02 . 1 . . . . . . . . 5729 1 654 . 1 1 51 51 PHE HB2 H 1 3.47 0.02 . 2 . . . . . . . . 5729 1 655 . 1 1 51 51 PHE HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5729 1 656 . 1 1 51 51 PHE HD1 H 1 7.05 0.02 . 1 . . . . . . . . 5729 1 657 . 1 1 51 51 PHE HD2 H 1 7.05 0.02 . 1 . . . . . . . . 5729 1 658 . 1 1 51 51 PHE HE1 H 1 6.95 0.02 . 1 . . . . . . . . 5729 1 659 . 1 1 51 51 PHE HE2 H 1 6.95 0.02 . 1 . . . . . . . . 5729 1 660 . 1 1 51 51 PHE HZ H 1 6.99 0.02 . 1 . . . . . . . . 5729 1 661 . 1 1 51 51 PHE C C 13 169.9 0.3 . 1 . . . . . . . . 5729 1 662 . 1 1 51 51 PHE CA C 13 55.8 0.3 . 1 . . . . . . . . 5729 1 663 . 1 1 51 51 PHE CB C 13 39.6 0.3 . 1 . . . . . . . . 5729 1 664 . 1 1 51 51 PHE CD1 C 13 134.0 0.3 . 1 . . . . . . . . 5729 1 665 . 1 1 51 51 PHE CD2 C 13 134.0 0.3 . 1 . . . . . . . . 5729 1 666 . 1 1 51 51 PHE CE1 C 13 130.1 0.3 . 1 . . . . . . . . 5729 1 667 . 1 1 51 51 PHE CE2 C 13 130.1 0.3 . 1 . . . . . . . . 5729 1 668 . 1 1 51 51 PHE CZ C 13 127.8 0.3 . 1 . . . . . . . . 5729 1 669 . 1 1 51 51 PHE N N 15 118.4 0.2 . 1 . . . . . . . . 5729 1 670 . 1 1 52 52 PRO HA H 1 3.68 0.02 . 1 . . . . . . . . 5729 1 671 . 1 1 52 52 PRO HB2 H 1 1.26 0.02 . 1 . . . . . . . . 5729 1 672 . 1 1 52 52 PRO HB3 H 1 1.26 0.02 . 1 . . . . . . . . 5729 1 673 . 1 1 52 52 PRO HG2 H 1 0.52 0.02 . 1 . . . . . . . . 5729 1 674 . 1 1 52 52 PRO HG3 H 1 0.52 0.02 . 1 . . . . . . . . 5729 1 675 . 1 1 52 52 PRO HD2 H 1 2.55 0.02 . 2 . . . . . . . . 5729 1 676 . 1 1 52 52 PRO HD3 H 1 2.05 0.02 . 2 . . . . . . . . 5729 1 677 . 1 1 52 52 PRO CA C 13 61.4 0.3 . 1 . . . . . . . . 5729 1 678 . 1 1 52 52 PRO CB C 13 31.1 0.3 . 1 . . . . . . . . 5729 1 679 . 1 1 52 52 PRO CG C 13 27.4 0.3 . 1 . . . . . . . . 5729 1 680 . 1 1 52 52 PRO CD C 13 50.7 0.3 . 1 . . . . . . . . 5729 1 681 . 1 1 53 53 SER H H 1 7.72 0.02 . 1 . . . . . . . . 5729 1 682 . 1 1 53 53 SER HA H 1 2.72 0.02 . 1 . . . . . . . . 5729 1 683 . 1 1 53 53 SER HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5729 1 684 . 1 1 53 53 SER HB3 H 1 1.32 0.02 . 2 . . . . . . . . 5729 1 685 . 1 1 53 53 SER C C 13 174.1 0.3 . 1 . . . . . . . . 5729 1 686 . 1 1 53 53 SER CA C 13 60.1 0.3 . 1 . . . . . . . . 5729 1 687 . 1 1 53 53 SER CB C 13 60.7 0.3 . 1 . . . . . . . . 5729 1 688 . 1 1 53 53 SER N N 15 122.2 0.2 . 1 . . . . . . . . 5729 1 689 . 1 1 54 54 ASN H H 1 7.89 0.02 . 1 . . . . . . . . 5729 1 690 . 1 1 54 54 ASN HA H 1 4.57 0.02 . 1 . . . . . . . . 5729 1 691 . 1 1 54 54 ASN HB3 H 1 2.94 0.02 . 1 . . . . . . . . 5729 1 692 . 1 1 54 54 ASN HB2 H 1 2.63 0.02 . 1 . . . . . . . . 5729 1 693 . 1 1 54 54 ASN HD22 H 1 6.50 0.02 . 1 . . . . . . . . 5729 1 694 . 1 1 54 54 ASN HD21 H 1 7.36 0.02 . 1 . . . . . . . . 5729 1 695 . 1 1 54 54 ASN C C 13 174.9 0.3 . 1 . . . . . . . . 5729 1 696 . 1 1 54 54 ASN CA C 13 53.6 0.3 . 1 . . . . . . . . 5729 1 697 . 1 1 54 54 ASN CB C 13 36.5 0.3 . 1 . . . . . . . . 5729 1 698 . 1 1 54 54 ASN CG C 13 176.5 0.3 . 1 . . . . . . . . 5729 1 699 . 1 1 54 54 ASN N N 15 116.1 0.2 . 1 . . . . . . . . 5729 1 700 . 1 1 54 54 ASN ND2 N 15 111.4 0.2 . 1 . . . . . . . . 5729 1 701 . 1 1 55 55 TYR H H 1 7.85 0.02 . 1 . . . . . . . . 5729 1 702 . 1 1 55 55 TYR HA H 1 4.76 0.02 . 1 . . . . . . . . 5729 1 703 . 1 1 55 55 TYR HB3 H 1 3.53 0.02 . 1 . . . . . . . . 5729 1 704 . 1 1 55 55 TYR HB2 H 1 3.44 0.02 . 1 . . . . . . . . 5729 1 705 . 1 1 55 55 TYR HD1 H 1 6.95 0.02 . 1 . . . . . . . . 5729 1 706 . 1 1 55 55 TYR HD2 H 1 6.95 0.02 . 1 . . . . . . . . 5729 1 707 . 1 1 55 55 TYR HE1 H 1 6.80 0.02 . 1 . . . . . . . . 5729 1 708 . 1 1 55 55 TYR HE2 H 1 6.80 0.02 . 1 . . . . . . . . 5729 1 709 . 1 1 55 55 TYR C C 13 174.6 0.3 . 1 . . . . . . . . 5729 1 710 . 1 1 55 55 TYR CA C 13 58.5 0.3 . 1 . . . . . . . . 5729 1 711 . 1 1 55 55 TYR CB C 13 38.9 0.3 . 1 . . . . . . . . 5729 1 712 . 1 1 55 55 TYR CD1 C 13 131.3 0.3 . 1 . . . . . . . . 5729 1 713 . 1 1 55 55 TYR CD2 C 13 131.3 0.3 . 1 . . . . . . . . 5729 1 714 . 1 1 55 55 TYR CE1 C 13 118.5 0.3 . 1 . . . . . . . . 5729 1 715 . 1 1 55 55 TYR CE2 C 13 118.5 0.3 . 1 . . . . . . . . 5729 1 716 . 1 1 55 55 TYR N N 15 120.0 0.2 . 1 . . . . . . . . 5729 1 717 . 1 1 56 56 VAL H H 1 7.24 0.02 . 1 . . . . . . . . 5729 1 718 . 1 1 56 56 VAL HA H 1 5.34 0.02 . 1 . . . . . . . . 5729 1 719 . 1 1 56 56 VAL HB H 1 1.86 0.02 . 1 . . . . . . . . 5729 1 720 . 1 1 56 56 VAL HG21 H 1 1.01 0.02 . 1 . . . . . . . . 5729 1 721 . 1 1 56 56 VAL HG22 H 1 1.01 0.02 . 1 . . . . . . . . 5729 1 722 . 1 1 56 56 VAL HG23 H 1 1.01 0.02 . 1 . . . . . . . . 5729 1 723 . 1 1 56 56 VAL HG11 H 1 0.32 0.02 . 1 . . . . . . . . 5729 1 724 . 1 1 56 56 VAL HG12 H 1 0.32 0.02 . 1 . . . . . . . . 5729 1 725 . 1 1 56 56 VAL HG13 H 1 0.32 0.02 . 1 . . . . . . . . 5729 1 726 . 1 1 56 56 VAL C C 13 172.6 0.3 . 1 . . . . . . . . 5729 1 727 . 1 1 56 56 VAL CA C 13 58.6 0.3 . 1 . . . . . . . . 5729 1 728 . 1 1 56 56 VAL CB C 13 36.7 0.3 . 1 . . . . . . . . 5729 1 729 . 1 1 56 56 VAL CG1 C 13 21.6 0.3 . 1 . . . . . . . . 5729 1 730 . 1 1 56 56 VAL CG2 C 13 21.6 0.3 . 1 . . . . . . . . 5729 1 731 . 1 1 56 56 VAL N N 15 109.4 0.2 . 1 . . . . . . . . 5729 1 732 . 1 1 57 57 ALA H H 1 8.61 0.02 . 1 . . . . . . . . 5729 1 733 . 1 1 57 57 ALA HA H 1 5.04 0.02 . 1 . . . . . . . . 5729 1 734 . 1 1 57 57 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 5729 1 735 . 1 1 57 57 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 5729 1 736 . 1 1 57 57 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5729 1 737 . 1 1 57 57 ALA C C 13 173.7 0.3 . 1 . . . . . . . . 5729 1 738 . 1 1 57 57 ALA CA C 13 49.5 0.3 . 1 . . . . . . . . 5729 1 739 . 1 1 57 57 ALA CB C 13 21.5 0.3 . 1 . . . . . . . . 5729 1 740 . 1 1 57 57 ALA N N 15 123.3 0.2 . 1 . . . . . . . . 5729 1 741 . 1 1 58 58 PRO HA H 1 4.49 0.02 . 1 . . . . . . . . 5729 1 742 . 1 1 58 58 PRO HB3 H 1 2.47 0.02 . 1 . . . . . . . . 5729 1 743 . 1 1 58 58 PRO HB2 H 1 1.90 0.02 . 1 . . . . . . . . 5729 1 744 . 1 1 58 58 PRO HG3 H 1 2.20 0.02 . 1 . . . . . . . . 5729 1 745 . 1 1 58 58 PRO HG2 H 1 2.04 0.02 . 1 . . . . . . . . 5729 1 746 . 1 1 58 58 PRO HD2 H 1 3.99 0.02 . 2 . . . . . . . . 5729 1 747 . 1 1 58 58 PRO HD3 H 1 3.67 0.02 . 2 . . . . . . . . 5729 1 748 . 1 1 58 58 PRO C C 13 174.9 0.3 . 1 . . . . . . . . 5729 1 749 . 1 1 58 58 PRO CA C 13 64.5 0.3 . 1 . . . . . . . . 5729 1 750 . 1 1 58 58 PRO CB C 13 32.6 0.3 . 1 . . . . . . . . 5729 1 751 . 1 1 58 58 PRO CG C 13 28.4 0.3 . 1 . . . . . . . . 5729 1 752 . 1 1 58 58 PRO CD C 13 51.0 0.3 . 1 . . . . . . . . 5729 1 753 . 1 1 59 59 TYR H H 1 8.08 0.02 . 1 . . . . . . . . 5729 1 754 . 1 1 59 59 TYR HA H 1 4.68 0.02 . 1 . . . . . . . . 5729 1 755 . 1 1 59 59 TYR HB3 H 1 2.60 0.02 . 1 . . . . . . . . 5729 1 756 . 1 1 59 59 TYR HB2 H 1 2.54 0.02 . 1 . . . . . . . . 5729 1 757 . 1 1 59 59 TYR HD1 H 1 6.81 0.02 . 1 . . . . . . . . 5729 1 758 . 1 1 59 59 TYR HD2 H 1 6.81 0.02 . 1 . . . . . . . . 5729 1 759 . 1 1 59 59 TYR HE1 H 1 6.57 0.02 . 1 . . . . . . . . 5729 1 760 . 1 1 59 59 TYR HE2 H 1 6.57 0.02 . 1 . . . . . . . . 5729 1 761 . 1 1 59 59 TYR C C 13 173.2 0.3 . 1 . . . . . . . . 5729 1 762 . 1 1 59 59 TYR CA C 13 57.2 0.3 . 1 . . . . . . . . 5729 1 763 . 1 1 59 59 TYR CB C 13 40.8 0.3 . 1 . . . . . . . . 5729 1 764 . 1 1 59 59 TYR CD1 C 13 132.9 0.3 . 1 . . . . . . . . 5729 1 765 . 1 1 59 59 TYR CD2 C 13 132.9 0.3 . 1 . . . . . . . . 5729 1 766 . 1 1 59 59 TYR CE1 C 13 118.7 0.3 . 1 . . . . . . . . 5729 1 767 . 1 1 59 59 TYR CE2 C 13 118.7 0.3 . 1 . . . . . . . . 5729 1 768 . 1 1 59 59 TYR N N 15 125.3 0.2 . 1 . . . . . . . . 5729 1 769 . 1 1 60 60 ASN H H 1 8.20 0.02 . 1 . . . . . . . . 5729 1 770 . 1 1 60 60 ASN HA H 1 4.63 0.02 . 1 . . . . . . . . 5729 1 771 . 1 1 60 60 ASN HB2 H 1 2.68 0.02 . 2 . . . . . . . . 5729 1 772 . 1 1 60 60 ASN HB3 H 1 2.44 0.02 . 2 . . . . . . . . 5729 1 773 . 1 1 60 60 ASN HD21 H 1 6.76 0.02 . 2 . . . . . . . . 5729 1 774 . 1 1 60 60 ASN HD22 H 1 7.43 0.02 . 2 . . . . . . . . 5729 1 775 . 1 1 60 60 ASN C C 13 173.3 0.3 . 1 . . . . . . . . 5729 1 776 . 1 1 60 60 ASN CA C 13 53.0 0.3 . 1 . . . . . . . . 5729 1 777 . 1 1 60 60 ASN CB C 13 39.7 0.3 . 1 . . . . . . . . 5729 1 778 . 1 1 60 60 ASN CG C 13 176.4 0.3 . 1 . . . . . . . . 5729 1 779 . 1 1 60 60 ASN N N 15 126.9 0.2 . 1 . . . . . . . . 5729 1 780 . 1 1 60 60 ASN ND2 N 15 113.3 0.2 . 1 . . . . . . . . 5729 1 781 . 1 1 61 61 SER H H 1 7.85 0.02 . 1 . . . . . . . . 5729 1 782 . 1 1 61 61 SER HA H 1 4.22 0.02 . 1 . . . . . . . . 5729 1 783 . 1 1 61 61 SER HB2 H 1 3.70 0.02 . 1 . . . . . . . . 5729 1 784 . 1 1 61 61 SER HB3 H 1 3.70 0.02 . 1 . . . . . . . . 5729 1 785 . 1 1 61 61 SER C C 13 172.8 0.3 . 1 . . . . . . . . 5729 1 786 . 1 1 61 61 SER CA C 13 58.2 0.3 . 1 . . . . . . . . 5729 1 787 . 1 1 61 61 SER CB C 13 64.1 0.3 . 1 . . . . . . . . 5729 1 788 . 1 1 61 61 SER N N 15 117.2 0.2 . 1 . . . . . . . . 5729 1 789 . 1 1 62 62 ASN H H 1 8.00 0.02 . 1 . . . . . . . . 5729 1 790 . 1 1 62 62 ASN HA H 1 4.43 0.02 . 1 . . . . . . . . 5729 1 791 . 1 1 62 62 ASN HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5729 1 792 . 1 1 62 62 ASN HB3 H 1 2.62 0.02 . 2 . . . . . . . . 5729 1 793 . 1 1 62 62 ASN HD21 H 1 6.74 0.02 . 2 . . . . . . . . 5729 1 794 . 1 1 62 62 ASN HD22 H 1 7.41 0.02 . 2 . . . . . . . . 5729 1 795 . 1 1 62 62 ASN C C 13 178.9 0.3 . 1 . . . . . . . . 5729 1 796 . 1 1 62 62 ASN CA C 13 55.0 0.3 . 1 . . . . . . . . 5729 1 797 . 1 1 62 62 ASN CB C 13 40.4 0.3 . 1 . . . . . . . . 5729 1 798 . 1 1 62 62 ASN CG C 13 177.9 0.3 . 1 . . . . . . . . 5729 1 799 . 1 1 62 62 ASN N N 15 126.6 0.2 . 1 . . . . . . . . 5729 1 800 . 1 1 62 62 ASN ND2 N 15 113.3 0.2 . 1 . . . . . . . . 5729 1 stop_ save_