data_5356 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5356 _Entry.Title ; Backbone and sidechain chemical shift assignments for GS-a3W protein ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-04-28 _Entry.Accession_date 2002-04-29 _Entry.Last_release_date 2003-01-06 _Entry.Original_release_date 2003-01-06 _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 Qing-Hong Dai . . . 5356 2 Cecilia Tommos . . . 5356 3 Ernesto Fuentes . J. . 5356 4 P. Dutton . Leslie . 5356 5 A. Wand . Joshua . 5356 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5356 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 515 5356 '13C chemical shifts' 312 5356 '15N chemical shifts' 66 5356 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 . . 2003-01-06 2002-04-28 original author . 5356 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5356 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22213508 _Citation.DOI . _Citation.PubMed_ID 12224922 _Citation.Full_citation . _Citation.Title 'Structure of a De Novo Designed Protein Model of Radical Enzymes' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 124 _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 10952 _Citation.Page_last 10953 _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 Qing-Hong Dai . . . 5356 1 2 Cecilia Tommos . . . 5356 1 3 Ernesto Fuentes . J. . 5356 1 4 P. Dutton . Leslie . 5356 1 5 A. Wand . Joshua . 5356 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_a3W _Assembly.Sf_category assembly _Assembly.Sf_framecode system_a3W _Assembly.Entry_ID 5356 _Assembly.ID 1 _Assembly.Name 'GS-a3W protein' _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 5356 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 'GS-a3W protein' 1 $GS-a3W . . . native . . . . . 5356 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'GS-a3W protein' system 5356 1 a3W abbreviation 5356 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GS-a3W _Entity.Sf_category entity _Entity.Sf_framecode GS-a3W _Entity.Entry_ID 5356 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GS-a3W _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 ; GSRVKALEEKVKALEEKVKA LGGGGRIEELKKKWEELKKK IEELGGGGEVKKVEEEVKKL EEEIKKL ; _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 67 _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 18703 . 2-mercaptophenol-alpha3C . . . . . 100.00 67 98.51 98.51 1.91e-27 . . . . 5356 1 2 no BMRB 19668 . a3Y . . . . . 100.00 67 98.51 100.00 4.05e-28 . . . . 5356 1 3 no PDB 1LQ7 . "De Novo Designed Protein Model Of Radical Enzymes" . . . . . 98.51 67 100.00 100.00 8.46e-28 . . . . 5356 1 4 no PDB 2LXY . "Nmr Structure Of 2-mercaptophenol-alpha3c" . . . . . 100.00 67 98.51 98.51 1.91e-27 . . . . 5356 1 5 no PDB 2MI7 . "Solution Nmr Structure Of Alpha3y" . . . . . 100.00 67 98.51 100.00 4.05e-28 . . . . 5356 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GS-a3W common 5356 1 a3W abbreviation 5356 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 . 5356 1 2 . SER . 5356 1 3 . ARG . 5356 1 4 . VAL . 5356 1 5 . LYS . 5356 1 6 . ALA . 5356 1 7 . LEU . 5356 1 8 . GLU . 5356 1 9 . GLU . 5356 1 10 . LYS . 5356 1 11 . VAL . 5356 1 12 . LYS . 5356 1 13 . ALA . 5356 1 14 . LEU . 5356 1 15 . GLU . 5356 1 16 . GLU . 5356 1 17 . LYS . 5356 1 18 . VAL . 5356 1 19 . LYS . 5356 1 20 . ALA . 5356 1 21 . LEU . 5356 1 22 . GLY . 5356 1 23 . GLY . 5356 1 24 . GLY . 5356 1 25 . GLY . 5356 1 26 . ARG . 5356 1 27 . ILE . 5356 1 28 . GLU . 5356 1 29 . GLU . 5356 1 30 . LEU . 5356 1 31 . LYS . 5356 1 32 . LYS . 5356 1 33 . LYS . 5356 1 34 . TRP . 5356 1 35 . GLU . 5356 1 36 . GLU . 5356 1 37 . LEU . 5356 1 38 . LYS . 5356 1 39 . LYS . 5356 1 40 . LYS . 5356 1 41 . ILE . 5356 1 42 . GLU . 5356 1 43 . GLU . 5356 1 44 . LEU . 5356 1 45 . GLY . 5356 1 46 . GLY . 5356 1 47 . GLY . 5356 1 48 . GLY . 5356 1 49 . GLU . 5356 1 50 . VAL . 5356 1 51 . LYS . 5356 1 52 . LYS . 5356 1 53 . VAL . 5356 1 54 . GLU . 5356 1 55 . GLU . 5356 1 56 . GLU . 5356 1 57 . VAL . 5356 1 58 . LYS . 5356 1 59 . LYS . 5356 1 60 . LEU . 5356 1 61 . GLU . 5356 1 62 . GLU . 5356 1 63 . GLU . 5356 1 64 . ILE . 5356 1 65 . LYS . 5356 1 66 . LYS . 5356 1 67 . LEU . 5356 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 5356 1 . SER 2 2 5356 1 . ARG 3 3 5356 1 . VAL 4 4 5356 1 . LYS 5 5 5356 1 . ALA 6 6 5356 1 . LEU 7 7 5356 1 . GLU 8 8 5356 1 . GLU 9 9 5356 1 . LYS 10 10 5356 1 . VAL 11 11 5356 1 . LYS 12 12 5356 1 . ALA 13 13 5356 1 . LEU 14 14 5356 1 . GLU 15 15 5356 1 . GLU 16 16 5356 1 . LYS 17 17 5356 1 . VAL 18 18 5356 1 . LYS 19 19 5356 1 . ALA 20 20 5356 1 . LEU 21 21 5356 1 . GLY 22 22 5356 1 . GLY 23 23 5356 1 . GLY 24 24 5356 1 . GLY 25 25 5356 1 . ARG 26 26 5356 1 . ILE 27 27 5356 1 . GLU 28 28 5356 1 . GLU 29 29 5356 1 . LEU 30 30 5356 1 . LYS 31 31 5356 1 . LYS 32 32 5356 1 . LYS 33 33 5356 1 . TRP 34 34 5356 1 . GLU 35 35 5356 1 . GLU 36 36 5356 1 . LEU 37 37 5356 1 . LYS 38 38 5356 1 . LYS 39 39 5356 1 . LYS 40 40 5356 1 . ILE 41 41 5356 1 . GLU 42 42 5356 1 . GLU 43 43 5356 1 . LEU 44 44 5356 1 . GLY 45 45 5356 1 . GLY 46 46 5356 1 . GLY 47 47 5356 1 . GLY 48 48 5356 1 . GLU 49 49 5356 1 . VAL 50 50 5356 1 . LYS 51 51 5356 1 . LYS 52 52 5356 1 . VAL 53 53 5356 1 . GLU 54 54 5356 1 . GLU 55 55 5356 1 . GLU 56 56 5356 1 . VAL 57 57 5356 1 . LYS 58 58 5356 1 . LYS 59 59 5356 1 . LEU 60 60 5356 1 . GLU 61 61 5356 1 . GLU 62 62 5356 1 . GLU 63 63 5356 1 . ILE 64 64 5356 1 . LYS 65 65 5356 1 . LYS 66 66 5356 1 . LEU 67 67 5356 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 5356 _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 $GS-a3W . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 'Not applicable.' . . 5356 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 5356 _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 $GS-a3W . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5356 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5356 _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 GS-a3W '[U-13C; U-15N]' . . 1 $GS-a3W . . 0.83 . . mM . . . . 5356 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5356 _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 GS-a3W '[10% 13C]' . . 1 $GS-a3W . . 0.85 . . mM . . . . 5356 2 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 5356 _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* 5.5 0.1 n/a 5356 1 temperature 301.0 0.1 K 5356 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 5356 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 5356 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5356 _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 Inova . 750 . . . 5356 1 2 NMR_spectrometer_2 Varian Inova . 500 . . . 5356 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 5356 _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 5356 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 5356 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5356 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5356 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 5356 _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 . 5356 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CA C 13 58.506 0.01 . 1 . . . . . . . . 5356 1 2 . 1 1 2 2 SER HA H 1 4.604 0.01 . 1 . . . . . . . . 5356 1 3 . 1 1 2 2 SER CB C 13 63.957 0.01 . 1 . . . . . . . . 5356 1 4 . 1 1 2 2 SER HB3 H 1 4.115 0.01 . 2 . . . . . . . . 5356 1 5 . 1 1 2 2 SER HB2 H 1 3.946 0.01 . 2 . . . . . . . . 5356 1 6 . 1 1 2 2 SER C C 13 175.641 0.01 . 1 . . . . . . . . 5356 1 7 . 1 1 3 3 ARG N N 15 125.026 0.01 . 1 . . . . . . . . 5356 1 8 . 1 1 3 3 ARG H H 1 8.874 0.01 . 1 . . . . . . . . 5356 1 9 . 1 1 3 3 ARG CA C 13 58.224 0.01 . 1 . . . . . . . . 5356 1 10 . 1 1 3 3 ARG HA H 1 4.336 0.01 . 1 . . . . . . . . 5356 1 11 . 1 1 3 3 ARG CB C 13 30.776 0.01 . 1 . . . . . . . . 5356 1 12 . 1 1 3 3 ARG HB3 H 1 1.955 0.01 . 2 . . . . . . . . 5356 1 13 . 1 1 3 3 ARG HB2 H 1 2.004 0.01 . 2 . . . . . . . . 5356 1 14 . 1 1 3 3 ARG CG C 13 27.302 0.01 . 1 . . . . . . . . 5356 1 15 . 1 1 3 3 ARG HG3 H 1 1.740 0.01 . 2 . . . . . . . . 5356 1 16 . 1 1 3 3 ARG HG2 H 1 1.854 0.01 . 2 . . . . . . . . 5356 1 17 . 1 1 3 3 ARG CD C 13 43.662 0.01 . 1 . . . . . . . . 5356 1 18 . 1 1 3 3 ARG HD3 H 1 3.269 0.01 . 2 . . . . . . . . 5356 1 19 . 1 1 3 3 ARG HD2 H 1 3.316 0.01 . 2 . . . . . . . . 5356 1 20 . 1 1 3 3 ARG C C 13 178.246 0.01 . 1 . . . . . . . . 5356 1 21 . 1 1 4 4 VAL N N 15 119.750 0.01 . 1 . . . . . . . . 5356 1 22 . 1 1 4 4 VAL H H 1 8.166 0.01 . 1 . . . . . . . . 5356 1 23 . 1 1 4 4 VAL CA C 13 65.119 0.01 . 1 . . . . . . . . 5356 1 24 . 1 1 4 4 VAL HA H 1 3.904 0.01 . 1 . . . . . . . . 5356 1 25 . 1 1 4 4 VAL CB C 13 31.975 0.01 . 1 . . . . . . . . 5356 1 26 . 1 1 4 4 VAL HB H 1 2.131 0.01 . 1 . . . . . . . . 5356 1 27 . 1 1 4 4 VAL CG2 C 13 22.490 0.01 . 1 . . . . . . . . 5356 1 28 . 1 1 4 4 VAL HG21 H 1 1.064 0.01 . 1 . . . . . . . . 5356 1 29 . 1 1 4 4 VAL HG22 H 1 1.064 0.01 . 1 . . . . . . . . 5356 1 30 . 1 1 4 4 VAL HG23 H 1 1.064 0.01 . 1 . . . . . . . . 5356 1 31 . 1 1 4 4 VAL CG1 C 13 21.573 0.01 . 1 . . . . . . . . 5356 1 32 . 1 1 4 4 VAL HG11 H 1 1.019 0.01 . 1 . . . . . . . . 5356 1 33 . 1 1 4 4 VAL HG12 H 1 1.019 0.01 . 1 . . . . . . . . 5356 1 34 . 1 1 4 4 VAL HG13 H 1 1.019 0.01 . 1 . . . . . . . . 5356 1 35 . 1 1 4 4 VAL C C 13 177.104 0.01 . 1 . . . . . . . . 5356 1 36 . 1 1 5 5 LYS N N 15 122.851 0.01 . 1 . . . . . . . . 5356 1 37 . 1 1 5 5 LYS H H 1 7.982 0.01 . 1 . . . . . . . . 5356 1 38 . 1 1 5 5 LYS CA C 13 58.722 0.01 . 1 . . . . . . . . 5356 1 39 . 1 1 5 5 LYS HA H 1 4.226 0.01 . 1 . . . . . . . . 5356 1 40 . 1 1 5 5 LYS CB C 13 32.059 0.01 . 1 . . . . . . . . 5356 1 41 . 1 1 5 5 LYS HB3 H 1 1.940 0.01 . 2 . . . . . . . . 5356 1 42 . 1 1 5 5 LYS HB2 H 1 1.987 0.01 . 2 . . . . . . . . 5356 1 43 . 1 1 5 5 LYS CG C 13 25.196 0.01 . 1 . . . . . . . . 5356 1 44 . 1 1 5 5 LYS HG3 H 1 1.515 0.01 . 2 . . . . . . . . 5356 1 45 . 1 1 5 5 LYS HG2 H 1 1.598 0.01 . 2 . . . . . . . . 5356 1 46 . 1 1 5 5 LYS CD C 13 28.748 0.01 . 1 . . . . . . . . 5356 1 47 . 1 1 5 5 LYS HD3 H 1 1.769 0.01 . 1 . . . . . . . . 5356 1 48 . 1 1 5 5 LYS HD2 H 1 1.769 0.01 . 1 . . . . . . . . 5356 1 49 . 1 1 5 5 LYS CE C 13 42.243 0.01 . 1 . . . . . . . . 5356 1 50 . 1 1 5 5 LYS HE3 H 1 3.050 0.01 . 1 . . . . . . . . 5356 1 51 . 1 1 5 5 LYS HE2 H 1 3.050 0.01 . 1 . . . . . . . . 5356 1 52 . 1 1 5 5 LYS C C 13 178.480 0.01 . 1 . . . . . . . . 5356 1 53 . 1 1 6 6 ALA N N 15 120.644 0.01 . 1 . . . . . . . . 5356 1 54 . 1 1 6 6 ALA H H 1 8.076 0.01 . 1 . . . . . . . . 5356 1 55 . 1 1 6 6 ALA CA C 13 54.814 0.01 . 1 . . . . . . . . 5356 1 56 . 1 1 6 6 ALA HA H 1 4.270 0.01 . 1 . . . . . . . . 5356 1 57 . 1 1 6 6 ALA CB C 13 18.260 0.01 . 1 . . . . . . . . 5356 1 58 . 1 1 6 6 ALA HB1 H 1 1.543 0.01 . 1 . . . . . . . . 5356 1 59 . 1 1 6 6 ALA HB2 H 1 1.543 0.01 . 1 . . . . . . . . 5356 1 60 . 1 1 6 6 ALA HB3 H 1 1.543 0.01 . 1 . . . . . . . . 5356 1 61 . 1 1 6 6 ALA C C 13 180.729 0.01 . 1 . . . . . . . . 5356 1 62 . 1 1 7 7 LEU N N 15 119.525 0.01 . 1 . . . . . . . . 5356 1 63 . 1 1 7 7 LEU H H 1 7.770 0.01 . 1 . . . . . . . . 5356 1 64 . 1 1 7 7 LEU CA C 13 57.624 0.01 . 1 . . . . . . . . 5356 1 65 . 1 1 7 7 LEU HA H 1 4.247 0.01 . 1 . . . . . . . . 5356 1 66 . 1 1 7 7 LEU CB C 13 41.969 0.01 . 1 . . . . . . . . 5356 1 67 . 1 1 7 7 LEU HB3 H 1 1.722 0.01 . 2 . . . . . . . . 5356 1 68 . 1 1 7 7 LEU HB2 H 1 1.983 0.01 . 2 . . . . . . . . 5356 1 69 . 1 1 7 7 LEU CG C 13 26.926 0.01 . 1 . . . . . . . . 5356 1 70 . 1 1 7 7 LEU HG H 1 1.848 0.01 . 1 . . . . . . . . 5356 1 71 . 1 1 7 7 LEU CD1 C 13 25.135 0.01 . 1 . . . . . . . . 5356 1 72 . 1 1 7 7 LEU HD11 H 1 0.982 0.01 . 1 . . . . . . . . 5356 1 73 . 1 1 7 7 LEU HD12 H 1 0.982 0.01 . 1 . . . . . . . . 5356 1 74 . 1 1 7 7 LEU HD13 H 1 0.982 0.01 . 1 . . . . . . . . 5356 1 75 . 1 1 7 7 LEU CD2 C 13 24.892 0.01 . 1 . . . . . . . . 5356 1 76 . 1 1 7 7 LEU HD21 H 1 0.951 0.01 . 1 . . . . . . . . 5356 1 77 . 1 1 7 7 LEU HD22 H 1 0.951 0.01 . 1 . . . . . . . . 5356 1 78 . 1 1 7 7 LEU HD23 H 1 0.951 0.01 . 1 . . . . . . . . 5356 1 79 . 1 1 7 7 LEU C C 13 178.414 0.01 . 1 . . . . . . . . 5356 1 80 . 1 1 8 8 GLU N N 15 119.607 0.01 . 1 . . . . . . . . 5356 1 81 . 1 1 8 8 GLU H H 1 8.401 0.01 . 1 . . . . . . . . 5356 1 82 . 1 1 8 8 GLU CA C 13 60.047 0.01 . 1 . . . . . . . . 5356 1 83 . 1 1 8 8 GLU HA H 1 3.934 0.01 . 1 . . . . . . . . 5356 1 84 . 1 1 8 8 GLU CB C 13 29.567 0.01 . 1 . . . . . . . . 5356 1 85 . 1 1 8 8 GLU HB3 H 1 2.187 0.01 . 2 . . . . . . . . 5356 1 86 . 1 1 8 8 GLU HB2 H 1 2.330 0.01 . 2 . . . . . . . . 5356 1 87 . 1 1 8 8 GLU CG C 13 36.395 0.01 . 1 . . . . . . . . 5356 1 88 . 1 1 8 8 GLU HG3 H 1 2.256 0.01 . 2 . . . . . . . . 5356 1 89 . 1 1 8 8 GLU HG2 H 1 2.497 0.01 . 2 . . . . . . . . 5356 1 90 . 1 1 8 8 GLU C C 13 179.719 0.01 . 1 . . . . . . . . 5356 1 91 . 1 1 9 9 GLU N N 15 118.172 0.01 . 1 . . . . . . . . 5356 1 92 . 1 1 9 9 GLU H H 1 8.225 0.01 . 1 . . . . . . . . 5356 1 93 . 1 1 9 9 GLU CA C 13 59.337 0.01 . 1 . . . . . . . . 5356 1 94 . 1 1 9 9 GLU HA H 1 4.144 0.01 . 1 . . . . . . . . 5356 1 95 . 1 1 9 9 GLU CB C 13 29.479 0.01 . 1 . . . . . . . . 5356 1 96 . 1 1 9 9 GLU HB3 H 1 2.187 0.01 . 2 . . . . . . . . 5356 1 97 . 1 1 9 9 GLU HB2 H 1 2.242 0.01 . 2 . . . . . . . . 5356 1 98 . 1 1 9 9 GLU CG C 13 36.509 0.01 . 1 . . . . . . . . 5356 1 99 . 1 1 9 9 GLU HG3 H 1 2.401 0.01 . 2 . . . . . . . . 5356 1 100 . 1 1 9 9 GLU HG2 H 1 2.546 0.01 . 2 . . . . . . . . 5356 1 101 . 1 1 9 9 GLU C C 13 179.502 0.01 . 1 . . . . . . . . 5356 1 102 . 1 1 10 10 LYS N N 15 121.159 0.01 . 1 . . . . . . . . 5356 1 103 . 1 1 10 10 LYS H H 1 7.948 0.01 . 1 . . . . . . . . 5356 1 104 . 1 1 10 10 LYS CA C 13 59.114 0.01 . 1 . . . . . . . . 5356 1 105 . 1 1 10 10 LYS HA H 1 4.265 0.01 . 1 . . . . . . . . 5356 1 106 . 1 1 10 10 LYS CB C 13 32.247 0.01 . 1 . . . . . . . . 5356 1 107 . 1 1 10 10 LYS HB3 H 1 1.989 0.01 . 2 . . . . . . . . 5356 1 108 . 1 1 10 10 LYS HB2 H 1 2.171 0.01 . 2 . . . . . . . . 5356 1 109 . 1 1 10 10 LYS CG C 13 25.348 0.01 . 1 . . . . . . . . 5356 1 110 . 1 1 10 10 LYS HG3 H 1 1.514 0.01 . 2 . . . . . . . . 5356 1 111 . 1 1 10 10 LYS HG2 H 1 1.592 0.01 . 2 . . . . . . . . 5356 1 112 . 1 1 10 10 LYS CD C 13 28.888 0.01 . 1 . . . . . . . . 5356 1 113 . 1 1 10 10 LYS HD3 H 1 1.691 0.01 . 2 . . . . . . . . 5356 1 114 . 1 1 10 10 LYS HD2 H 1 1.795 0.01 . 2 . . . . . . . . 5356 1 115 . 1 1 10 10 LYS CE C 13 42.196 0.01 . 1 . . . . . . . . 5356 1 116 . 1 1 10 10 LYS HE3 H 1 2.999 0.01 . 2 . . . . . . . . 5356 1 117 . 1 1 10 10 LYS HE2 H 1 3.045 0.01 . 2 . . . . . . . . 5356 1 118 . 1 1 10 10 LYS C C 13 179.075 0.01 . 1 . . . . . . . . 5356 1 119 . 1 1 11 11 VAL N N 15 119.304 0.01 . 1 . . . . . . . . 5356 1 120 . 1 1 11 11 VAL H H 1 8.455 0.01 . 1 . . . . . . . . 5356 1 121 . 1 1 11 11 VAL CA C 13 67.167 0.01 . 1 . . . . . . . . 5356 1 122 . 1 1 11 11 VAL HA H 1 3.933 0.01 . 1 . . . . . . . . 5356 1 123 . 1 1 11 11 VAL CB C 13 31.813 0.01 . 1 . . . . . . . . 5356 1 124 . 1 1 11 11 VAL HB H 1 2.327 0.01 . 1 . . . . . . . . 5356 1 125 . 1 1 11 11 VAL CG2 C 13 24.039 0.01 . 1 . . . . . . . . 5356 1 126 . 1 1 11 11 VAL HG21 H 1 1.141 0.01 . 1 . . . . . . . . 5356 1 127 . 1 1 11 11 VAL HG22 H 1 1.141 0.01 . 1 . . . . . . . . 5356 1 128 . 1 1 11 11 VAL HG23 H 1 1.141 0.01 . 1 . . . . . . . . 5356 1 129 . 1 1 11 11 VAL CG1 C 13 21.392 0.01 . 1 . . . . . . . . 5356 1 130 . 1 1 11 11 VAL HG11 H 1 1.063 0.01 . 1 . . . . . . . . 5356 1 131 . 1 1 11 11 VAL HG12 H 1 1.063 0.01 . 1 . . . . . . . . 5356 1 132 . 1 1 11 11 VAL HG13 H 1 1.063 0.01 . 1 . . . . . . . . 5356 1 133 . 1 1 11 11 VAL C C 13 178.141 0.01 . 1 . . . . . . . . 5356 1 134 . 1 1 12 12 LYS N N 15 120.312 0.01 . 1 . . . . . . . . 5356 1 135 . 1 1 12 12 LYS H H 1 8.052 0.01 . 1 . . . . . . . . 5356 1 136 . 1 1 12 12 LYS CA C 13 59.732 0.01 . 1 . . . . . . . . 5356 1 137 . 1 1 12 12 LYS HA H 1 4.279 0.01 . 1 . . . . . . . . 5356 1 138 . 1 1 12 12 LYS CB C 13 32.388 0.01 . 1 . . . . . . . . 5356 1 139 . 1 1 12 12 LYS HB3 H 1 2.035 0.01 . 1 . . . . . . . . 5356 1 140 . 1 1 12 12 LYS HB2 H 1 2.035 0.01 . 1 . . . . . . . . 5356 1 141 . 1 1 12 12 LYS CG C 13 25.167 0.01 . 1 . . . . . . . . 5356 1 142 . 1 1 12 12 LYS HG3 H 1 1.579 0.01 . 2 . . . . . . . . 5356 1 143 . 1 1 12 12 LYS HG2 H 1 1.718 0.01 . 2 . . . . . . . . 5356 1 144 . 1 1 12 12 LYS CD C 13 29.352 0.01 . 1 . . . . . . . . 5356 1 145 . 1 1 12 12 LYS HD3 H 1 1.810 0.01 . 1 . . . . . . . . 5356 1 146 . 1 1 12 12 LYS HD2 H 1 1.810 0.01 . 1 . . . . . . . . 5356 1 147 . 1 1 12 12 LYS CE C 13 42.196 0.01 . 1 . . . . . . . . 5356 1 148 . 1 1 12 12 LYS HE3 H 1 3.054 0.01 . 1 . . . . . . . . 5356 1 149 . 1 1 12 12 LYS HE2 H 1 3.054 0.01 . 1 . . . . . . . . 5356 1 150 . 1 1 12 12 LYS C C 13 179.164 0.01 . 1 . . . . . . . . 5356 1 151 . 1 1 13 13 ALA N N 15 120.997 0.01 . 1 . . . . . . . . 5356 1 152 . 1 1 13 13 ALA H H 1 7.857 0.01 . 1 . . . . . . . . 5356 1 153 . 1 1 13 13 ALA CA C 13 54.792 0.01 . 1 . . . . . . . . 5356 1 154 . 1 1 13 13 ALA HA H 1 4.298 0.01 . 1 . . . . . . . . 5356 1 155 . 1 1 13 13 ALA CB C 13 18.409 0.01 . 1 . . . . . . . . 5356 1 156 . 1 1 13 13 ALA HB1 H 1 1.595 0.01 . 1 . . . . . . . . 5356 1 157 . 1 1 13 13 ALA HB2 H 1 1.595 0.01 . 1 . . . . . . . . 5356 1 158 . 1 1 13 13 ALA HB3 H 1 1.595 0.01 . 1 . . . . . . . . 5356 1 159 . 1 1 13 13 ALA C C 13 180.757 0.01 . 1 . . . . . . . . 5356 1 160 . 1 1 14 14 LEU N N 15 119.368 0.01 . 1 . . . . . . . . 5356 1 161 . 1 1 14 14 LEU H H 1 8.196 0.01 . 1 . . . . . . . . 5356 1 162 . 1 1 14 14 LEU CA C 13 57.138 0.01 . 1 . . . . . . . . 5356 1 163 . 1 1 14 14 LEU HA H 1 4.057 0.01 . 1 . . . . . . . . 5356 1 164 . 1 1 14 14 LEU CB C 13 42.131 0.01 . 1 . . . . . . . . 5356 1 165 . 1 1 14 14 LEU HB3 H 1 1.166 0.01 . 2 . . . . . . . . 5356 1 166 . 1 1 14 14 LEU HB2 H 1 1.837 0.01 . 2 . . . . . . . . 5356 1 167 . 1 1 14 14 LEU CG C 13 27.004 0.01 . 1 . . . . . . . . 5356 1 168 . 1 1 14 14 LEU HG H 1 1.681 0.01 . 1 . . . . . . . . 5356 1 169 . 1 1 14 14 LEU CD1 C 13 25.412 0.01 . 1 . . . . . . . . 5356 1 170 . 1 1 14 14 LEU HD11 H 1 0.860 0.01 . 1 . . . . . . . . 5356 1 171 . 1 1 14 14 LEU HD12 H 1 0.860 0.01 . 1 . . . . . . . . 5356 1 172 . 1 1 14 14 LEU HD13 H 1 0.860 0.01 . 1 . . . . . . . . 5356 1 173 . 1 1 14 14 LEU CD2 C 13 24.085 0.01 . 1 . . . . . . . . 5356 1 174 . 1 1 14 14 LEU HD21 H 1 0.770 0.01 . 1 . . . . . . . . 5356 1 175 . 1 1 14 14 LEU HD22 H 1 0.770 0.01 . 1 . . . . . . . . 5356 1 176 . 1 1 14 14 LEU HD23 H 1 0.770 0.01 . 1 . . . . . . . . 5356 1 177 . 1 1 14 14 LEU C C 13 177.889 0.01 . 1 . . . . . . . . 5356 1 178 . 1 1 15 15 GLU N N 15 120.611 0.01 . 1 . . . . . . . . 5356 1 179 . 1 1 15 15 GLU H H 1 8.318 0.01 . 1 . . . . . . . . 5356 1 180 . 1 1 15 15 GLU CA C 13 59.824 0.01 . 1 . . . . . . . . 5356 1 181 . 1 1 15 15 GLU HA H 1 3.529 0.01 . 1 . . . . . . . . 5356 1 182 . 1 1 15 15 GLU CB C 13 29.744 0.01 . 1 . . . . . . . . 5356 1 183 . 1 1 15 15 GLU HB3 H 1 2.252 0.01 . 2 . . . . . . . . 5356 1 184 . 1 1 15 15 GLU HB2 H 1 2.433 0.01 . 2 . . . . . . . . 5356 1 185 . 1 1 15 15 GLU CG C 13 35.561 0.01 . 1 . . . . . . . . 5356 1 186 . 1 1 15 15 GLU HG3 H 1 2.008 0.01 . 2 . . . . . . . . 5356 1 187 . 1 1 15 15 GLU HG2 H 1 2.301 0.01 . 2 . . . . . . . . 5356 1 188 . 1 1 15 15 GLU C C 13 178.275 0.01 . 1 . . . . . . . . 5356 1 189 . 1 1 16 16 GLU N N 15 115.461 0.01 . 1 . . . . . . . . 5356 1 190 . 1 1 16 16 GLU H H 1 7.623 0.01 . 1 . . . . . . . . 5356 1 191 . 1 1 16 16 GLU CA C 13 58.990 0.01 . 1 . . . . . . . . 5356 1 192 . 1 1 16 16 GLU HA H 1 3.982 0.01 . 1 . . . . . . . . 5356 1 193 . 1 1 16 16 GLU CB C 13 29.507 0.01 . 1 . . . . . . . . 5356 1 194 . 1 1 16 16 GLU HB3 H 1 2.142 0.01 . 2 . . . . . . . . 5356 1 195 . 1 1 16 16 GLU HB2 H 1 2.247 0.01 . 2 . . . . . . . . 5356 1 196 . 1 1 16 16 GLU CG C 13 36.179 0.01 . 1 . . . . . . . . 5356 1 197 . 1 1 16 16 GLU HG3 H 1 2.364 0.01 . 2 . . . . . . . . 5356 1 198 . 1 1 16 16 GLU HG2 H 1 2.467 0.01 . 2 . . . . . . . . 5356 1 199 . 1 1 16 16 GLU C C 13 179.100 0.01 . 1 . . . . . . . . 5356 1 200 . 1 1 17 17 LYS N N 15 118.721 0.01 . 1 . . . . . . . . 5356 1 201 . 1 1 17 17 LYS H H 1 7.057 0.01 . 1 . . . . . . . . 5356 1 202 . 1 1 17 17 LYS CA C 13 58.666 0.01 . 1 . . . . . . . . 5356 1 203 . 1 1 17 17 LYS HA H 1 4.122 0.01 . 1 . . . . . . . . 5356 1 204 . 1 1 17 17 LYS CB C 13 32.591 0.01 . 1 . . . . . . . . 5356 1 205 . 1 1 17 17 LYS HB3 H 1 1.828 0.01 . 2 . . . . . . . . 5356 1 206 . 1 1 17 17 LYS HB2 H 1 1.968 0.01 . 2 . . . . . . . . 5356 1 207 . 1 1 17 17 LYS CG C 13 25.446 0.01 . 1 . . . . . . . . 5356 1 208 . 1 1 17 17 LYS HG3 H 1 1.468 0.01 . 2 . . . . . . . . 5356 1 209 . 1 1 17 17 LYS HG2 H 1 1.573 0.01 . 2 . . . . . . . . 5356 1 210 . 1 1 17 17 LYS CD C 13 28.923 0.01 . 1 . . . . . . . . 5356 1 211 . 1 1 17 17 LYS HD3 H 1 1.672 0.01 . 1 . . . . . . . . 5356 1 212 . 1 1 17 17 LYS HD2 H 1 1.672 0.01 . 1 . . . . . . . . 5356 1 213 . 1 1 17 17 LYS CE C 13 42.094 0.01 . 1 . . . . . . . . 5356 1 214 . 1 1 17 17 LYS HE3 H 1 2.971 0.01 . 1 . . . . . . . . 5356 1 215 . 1 1 17 17 LYS HE2 H 1 2.971 0.01 . 1 . . . . . . . . 5356 1 216 . 1 1 17 17 LYS C C 13 178.976 0.01 . 1 . . . . . . . . 5356 1 217 . 1 1 18 18 VAL N N 15 118.344 0.01 . 1 . . . . . . . . 5356 1 218 . 1 1 18 18 VAL H H 1 8.250 0.01 . 1 . . . . . . . . 5356 1 219 . 1 1 18 18 VAL CA C 13 66.030 0.01 . 1 . . . . . . . . 5356 1 220 . 1 1 18 18 VAL HA H 1 3.518 0.01 . 1 . . . . . . . . 5356 1 221 . 1 1 18 18 VAL CB C 13 31.545 0.01 . 1 . . . . . . . . 5356 1 222 . 1 1 18 18 VAL HB H 1 1.795 0.01 . 1 . . . . . . . . 5356 1 223 . 1 1 18 18 VAL CG2 C 13 22.218 0.01 . 1 . . . . . . . . 5356 1 224 . 1 1 18 18 VAL HG21 H 1 0.523 0.01 . 1 . . . . . . . . 5356 1 225 . 1 1 18 18 VAL HG22 H 1 0.523 0.01 . 1 . . . . . . . . 5356 1 226 . 1 1 18 18 VAL HG23 H 1 0.523 0.01 . 1 . . . . . . . . 5356 1 227 . 1 1 18 18 VAL CG1 C 13 21.807 0.01 . 1 . . . . . . . . 5356 1 228 . 1 1 18 18 VAL HG11 H 1 0.837 0.01 . 1 . . . . . . . . 5356 1 229 . 1 1 18 18 VAL HG12 H 1 0.837 0.01 . 1 . . . . . . . . 5356 1 230 . 1 1 18 18 VAL HG13 H 1 0.837 0.01 . 1 . . . . . . . . 5356 1 231 . 1 1 18 18 VAL C C 13 178.473 0.01 . 1 . . . . . . . . 5356 1 232 . 1 1 19 19 LYS N N 15 118.279 0.01 . 1 . . . . . . . . 5356 1 233 . 1 1 19 19 LYS H H 1 8.011 0.01 . 1 . . . . . . . . 5356 1 234 . 1 1 19 19 LYS CA C 13 58.937 0.01 . 1 . . . . . . . . 5356 1 235 . 1 1 19 19 LYS HA H 1 4.057 0.01 . 1 . . . . . . . . 5356 1 236 . 1 1 19 19 LYS CB C 13 32.426 0.01 . 1 . . . . . . . . 5356 1 237 . 1 1 19 19 LYS HB3 H 1 1.904 0.01 . 1 . . . . . . . . 5356 1 238 . 1 1 19 19 LYS HB2 H 1 1.904 0.01 . 1 . . . . . . . . 5356 1 239 . 1 1 19 19 LYS CG C 13 25.731 0.01 . 1 . . . . . . . . 5356 1 240 . 1 1 19 19 LYS HG3 H 1 1.505 0.01 . 2 . . . . . . . . 5356 1 241 . 1 1 19 19 LYS HG2 H 1 1.618 0.01 . 2 . . . . . . . . 5356 1 242 . 1 1 19 19 LYS CD C 13 29.423 0.01 . 1 . . . . . . . . 5356 1 243 . 1 1 19 19 LYS HD3 H 1 1.719 0.01 . 1 . . . . . . . . 5356 1 244 . 1 1 19 19 LYS HD2 H 1 1.719 0.01 . 1 . . . . . . . . 5356 1 245 . 1 1 19 19 LYS CE C 13 41.707 0.01 . 1 . . . . . . . . 5356 1 246 . 1 1 19 19 LYS HE3 H 1 3.019 0.01 . 1 . . . . . . . . 5356 1 247 . 1 1 19 19 LYS HE2 H 1 3.019 0.01 . 1 . . . . . . . . 5356 1 248 . 1 1 19 19 LYS C C 13 177.720 0.01 . 1 . . . . . . . . 5356 1 249 . 1 1 20 20 ALA N N 15 119.274 0.01 . 1 . . . . . . . . 5356 1 250 . 1 1 20 20 ALA H H 1 7.258 0.01 . 1 . . . . . . . . 5356 1 251 . 1 1 20 20 ALA CA C 13 52.648 0.01 . 1 . . . . . . . . 5356 1 252 . 1 1 20 20 ALA HA H 1 4.368 0.01 . 1 . . . . . . . . 5356 1 253 . 1 1 20 20 ALA CB C 13 19.220 0.01 . 1 . . . . . . . . 5356 1 254 . 1 1 20 20 ALA HB1 H 1 1.525 0.01 . 1 . . . . . . . . 5356 1 255 . 1 1 20 20 ALA HB2 H 1 1.525 0.01 . 1 . . . . . . . . 5356 1 256 . 1 1 20 20 ALA HB3 H 1 1.525 0.01 . 1 . . . . . . . . 5356 1 257 . 1 1 20 20 ALA C C 13 178.284 0.01 . 1 . . . . . . . . 5356 1 258 . 1 1 21 21 LEU N N 15 118.710 0.01 . 1 . . . . . . . . 5356 1 259 . 1 1 21 21 LEU H H 1 7.424 0.01 . 1 . . . . . . . . 5356 1 260 . 1 1 21 21 LEU CA C 13 55.668 0.01 . 1 . . . . . . . . 5356 1 261 . 1 1 21 21 LEU HA H 1 4.306 0.01 . 1 . . . . . . . . 5356 1 262 . 1 1 21 21 LEU CB C 13 43.251 0.01 . 1 . . . . . . . . 5356 1 263 . 1 1 21 21 LEU HB3 H 1 1.555 0.01 . 2 . . . . . . . . 5356 1 264 . 1 1 21 21 LEU HB2 H 1 1.935 0.01 . 2 . . . . . . . . 5356 1 265 . 1 1 21 21 LEU CG C 13 26.204 0.01 . 1 . . . . . . . . 5356 1 266 . 1 1 21 21 LEU HG H 1 2.153 0.01 . 1 . . . . . . . . 5356 1 267 . 1 1 21 21 LEU CD1 C 13 26.353 0.01 . 1 . . . . . . . . 5356 1 268 . 1 1 21 21 LEU HD11 H 1 0.940 0.01 . 1 . . . . . . . . 5356 1 269 . 1 1 21 21 LEU HD12 H 1 0.940 0.01 . 1 . . . . . . . . 5356 1 270 . 1 1 21 21 LEU HD13 H 1 0.940 0.01 . 1 . . . . . . . . 5356 1 271 . 1 1 21 21 LEU CD2 C 13 22.847 0.01 . 1 . . . . . . . . 5356 1 272 . 1 1 21 21 LEU HD21 H 1 0.923 0.01 . 1 . . . . . . . . 5356 1 273 . 1 1 21 21 LEU HD22 H 1 0.923 0.01 . 1 . . . . . . . . 5356 1 274 . 1 1 21 21 LEU HD23 H 1 0.923 0.01 . 1 . . . . . . . . 5356 1 275 . 1 1 21 21 LEU C C 13 177.782 0.01 . 1 . . . . . . . . 5356 1 276 . 1 1 22 22 GLY N N 15 107.957 0.01 . 1 . . . . . . . . 5356 1 277 . 1 1 22 22 GLY H H 1 8.215 0.01 . 1 . . . . . . . . 5356 1 278 . 1 1 22 22 GLY CA C 13 45.155 0.01 . 1 . . . . . . . . 5356 1 279 . 1 1 22 22 GLY HA3 H 1 4.002 0.01 . 2 . . . . . . . . 5356 1 280 . 1 1 22 22 GLY HA2 H 1 4.136 0.01 . 2 . . . . . . . . 5356 1 281 . 1 1 22 22 GLY C C 13 173.385 0.01 . 1 . . . . . . . . 5356 1 282 . 1 1 23 23 GLY N N 15 108.255 0.01 . 1 . . . . . . . . 5356 1 283 . 1 1 23 23 GLY H H 1 8.202 0.01 . 1 . . . . . . . . 5356 1 284 . 1 1 23 23 GLY CA C 13 44.831 0.01 . 1 . . . . . . . . 5356 1 285 . 1 1 23 23 GLY HA3 H 1 4.076 0.01 . 2 . . . . . . . . 5356 1 286 . 1 1 23 23 GLY HA2 H 1 4.181 0.01 . 2 . . . . . . . . 5356 1 287 . 1 1 23 23 GLY C C 13 174.159 0.01 . 1 . . . . . . . . 5356 1 288 . 1 1 24 24 GLY N N 15 107.940 0.01 . 1 . . . . . . . . 5356 1 289 . 1 1 24 24 GLY H H 1 8.521 0.01 . 1 . . . . . . . . 5356 1 290 . 1 1 24 24 GLY CA C 13 44.573 0.01 . 1 . . . . . . . . 5356 1 291 . 1 1 24 24 GLY HA3 H 1 4.057 0.01 . 2 . . . . . . . . 5356 1 292 . 1 1 24 24 GLY HA2 H 1 4.329 0.01 . 2 . . . . . . . . 5356 1 293 . 1 1 24 24 GLY C C 13 175.229 0.01 . 1 . . . . . . . . 5356 1 294 . 1 1 25 25 GLY N N 15 109.038 0.01 . 1 . . . . . . . . 5356 1 295 . 1 1 25 25 GLY H H 1 8.673 0.01 . 1 . . . . . . . . 5356 1 296 . 1 1 25 25 GLY CA C 13 47.253 0.01 . 1 . . . . . . . . 5356 1 297 . 1 1 25 25 GLY HA3 H 1 3.917 0.01 . 2 . . . . . . . . 5356 1 298 . 1 1 25 25 GLY HA2 H 1 4.085 0.01 . 2 . . . . . . . . 5356 1 299 . 1 1 25 25 GLY C C 13 176.395 0.01 . 1 . . . . . . . . 5356 1 300 . 1 1 26 26 ARG N N 15 123.649 0.01 . 1 . . . . . . . . 5356 1 301 . 1 1 26 26 ARG H H 1 8.839 0.01 . 1 . . . . . . . . 5356 1 302 . 1 1 26 26 ARG CA C 13 58.063 0.01 . 1 . . . . . . . . 5356 1 303 . 1 1 26 26 ARG HA H 1 4.336 0.01 . 1 . . . . . . . . 5356 1 304 . 1 1 26 26 ARG CB C 13 29.957 0.01 . 1 . . . . . . . . 5356 1 305 . 1 1 26 26 ARG HB3 H 1 1.984 0.01 . 1 . . . . . . . . 5356 1 306 . 1 1 26 26 ARG HB2 H 1 1.984 0.01 . 1 . . . . . . . . 5356 1 307 . 1 1 26 26 ARG CG C 13 27.177 0.01 . 1 . . . . . . . . 5356 1 308 . 1 1 26 26 ARG HG3 H 1 1.773 0.01 . 1 . . . . . . . . 5356 1 309 . 1 1 26 26 ARG HG2 H 1 1.773 0.01 . 1 . . . . . . . . 5356 1 310 . 1 1 26 26 ARG CD C 13 43.373 0.01 . 1 . . . . . . . . 5356 1 311 . 1 1 26 26 ARG HD3 H 1 3.257 0.01 . 2 . . . . . . . . 5356 1 312 . 1 1 26 26 ARG HD2 H 1 3.372 0.01 . 2 . . . . . . . . 5356 1 313 . 1 1 26 26 ARG C C 13 178.197 0.01 . 1 . . . . . . . . 5356 1 314 . 1 1 27 27 ILE N N 15 118.900 0.01 . 1 . . . . . . . . 5356 1 315 . 1 1 27 27 ILE H H 1 7.840 0.01 . 1 . . . . . . . . 5356 1 316 . 1 1 27 27 ILE CA C 13 63.682 0.01 . 1 . . . . . . . . 5356 1 317 . 1 1 27 27 ILE HA H 1 3.846 0.01 . 1 . . . . . . . . 5356 1 318 . 1 1 27 27 ILE CB C 13 37.009 0.01 . 1 . . . . . . . . 5356 1 319 . 1 1 27 27 ILE HB H 1 2.030 0.01 . 1 . . . . . . . . 5356 1 320 . 1 1 27 27 ILE CG1 C 13 29.395 0.01 . 1 . . . . . . . . 5356 1 321 . 1 1 27 27 ILE HG13 H 1 1.369 0.01 . 2 . . . . . . . . 5356 1 322 . 1 1 27 27 ILE HG12 H 1 1.603 0.01 . 2 . . . . . . . . 5356 1 323 . 1 1 27 27 ILE CD1 C 13 12.841 0.01 . 1 . . . . . . . . 5356 1 324 . 1 1 27 27 ILE HD11 H 1 0.941 0.01 . 1 . . . . . . . . 5356 1 325 . 1 1 27 27 ILE HD12 H 1 0.941 0.01 . 1 . . . . . . . . 5356 1 326 . 1 1 27 27 ILE HD13 H 1 0.941 0.01 . 1 . . . . . . . . 5356 1 327 . 1 1 27 27 ILE CG2 C 13 19.134 0.01 . 1 . . . . . . . . 5356 1 328 . 1 1 27 27 ILE HG21 H 1 0.941 0.01 . 1 . . . . . . . . 5356 1 329 . 1 1 27 27 ILE HG22 H 1 0.941 0.01 . 1 . . . . . . . . 5356 1 330 . 1 1 27 27 ILE HG23 H 1 0.941 0.01 . 1 . . . . . . . . 5356 1 331 . 1 1 27 27 ILE C C 13 177.611 0.01 . 1 . . . . . . . . 5356 1 332 . 1 1 28 28 GLU N N 15 119.969 0.01 . 1 . . . . . . . . 5356 1 333 . 1 1 28 28 GLU H H 1 7.917 0.01 . 1 . . . . . . . . 5356 1 334 . 1 1 28 28 GLU CA C 13 59.626 0.01 . 1 . . . . . . . . 5356 1 335 . 1 1 28 28 GLU HA H 1 4.072 0.01 . 1 . . . . . . . . 5356 1 336 . 1 1 28 28 GLU CB C 13 29.122 0.01 . 1 . . . . . . . . 5356 1 337 . 1 1 28 28 GLU HB3 H 1 2.181 0.01 . 1 . . . . . . . . 5356 1 338 . 1 1 28 28 GLU HB2 H 1 2.181 0.01 . 1 . . . . . . . . 5356 1 339 . 1 1 28 28 GLU CG C 13 36.290 0.01 . 1 . . . . . . . . 5356 1 340 . 1 1 28 28 GLU HG3 H 1 2.376 0.01 . 2 . . . . . . . . 5356 1 341 . 1 1 28 28 GLU HG2 H 1 2.480 0.01 . 2 . . . . . . . . 5356 1 342 . 1 1 28 28 GLU C C 13 179.487 0.01 . 1 . . . . . . . . 5356 1 343 . 1 1 29 29 GLU N N 15 118.463 0.01 . 1 . . . . . . . . 5356 1 344 . 1 1 29 29 GLU H H 1 7.822 0.01 . 1 . . . . . . . . 5356 1 345 . 1 1 29 29 GLU CA C 13 59.320 0.01 . 1 . . . . . . . . 5356 1 346 . 1 1 29 29 GLU HA H 1 4.153 0.01 . 1 . . . . . . . . 5356 1 347 . 1 1 29 29 GLU CB C 13 29.509 0.01 . 1 . . . . . . . . 5356 1 348 . 1 1 29 29 GLU HB3 H 1 2.191 0.01 . 2 . . . . . . . . 5356 1 349 . 1 1 29 29 GLU HB2 H 1 2.246 0.01 . 2 . . . . . . . . 5356 1 350 . 1 1 29 29 GLU CG C 13 36.289 0.01 . 1 . . . . . . . . 5356 1 351 . 1 1 29 29 GLU HG3 H 1 2.348 0.01 . 2 . . . . . . . . 5356 1 352 . 1 1 29 29 GLU HG2 H 1 2.460 0.01 . 2 . . . . . . . . 5356 1 353 . 1 1 29 29 GLU C C 13 179.286 0.01 . 1 . . . . . . . . 5356 1 354 . 1 1 30 30 LEU N N 15 121.404 0.01 . 1 . . . . . . . . 5356 1 355 . 1 1 30 30 LEU H H 1 7.840 0.01 . 1 . . . . . . . . 5356 1 356 . 1 1 30 30 LEU CA C 13 58.223 0.01 . 1 . . . . . . . . 5356 1 357 . 1 1 30 30 LEU HA H 1 4.178 0.01 . 1 . . . . . . . . 5356 1 358 . 1 1 30 30 LEU CB C 13 41.722 0.01 . 1 . . . . . . . . 5356 1 359 . 1 1 30 30 LEU HB3 H 1 1.586 0.01 . 2 . . . . . . . . 5356 1 360 . 1 1 30 30 LEU HB2 H 1 2.016 0.01 . 2 . . . . . . . . 5356 1 361 . 1 1 30 30 LEU CG C 13 27.247 0.01 . 1 . . . . . . . . 5356 1 362 . 1 1 30 30 LEU HG H 1 1.884 0.01 . 1 . . . . . . . . 5356 1 363 . 1 1 30 30 LEU CD1 C 13 26.054 0.01 . 1 . . . . . . . . 5356 1 364 . 1 1 30 30 LEU HD11 H 1 0.923 0.01 . 1 . . . . . . . . 5356 1 365 . 1 1 30 30 LEU HD12 H 1 0.923 0.01 . 1 . . . . . . . . 5356 1 366 . 1 1 30 30 LEU HD13 H 1 0.923 0.01 . 1 . . . . . . . . 5356 1 367 . 1 1 30 30 LEU CD2 C 13 23.821 0.01 . 1 . . . . . . . . 5356 1 368 . 1 1 30 30 LEU HD21 H 1 0.882 0.01 . 1 . . . . . . . . 5356 1 369 . 1 1 30 30 LEU HD22 H 1 0.882 0.01 . 1 . . . . . . . . 5356 1 370 . 1 1 30 30 LEU HD23 H 1 0.882 0.01 . 1 . . . . . . . . 5356 1 371 . 1 1 30 30 LEU C C 13 179.006 0.01 . 1 . . . . . . . . 5356 1 372 . 1 1 31 31 LYS N N 15 119.119 0.01 . 1 . . . . . . . . 5356 1 373 . 1 1 31 31 LYS H H 1 8.565 0.01 . 1 . . . . . . . . 5356 1 374 . 1 1 31 31 LYS CA C 13 60.906 0.01 . 1 . . . . . . . . 5356 1 375 . 1 1 31 31 LYS HA H 1 4.004 0.01 . 1 . . . . . . . . 5356 1 376 . 1 1 31 31 LYS CB C 13 32.324 0.01 . 1 . . . . . . . . 5356 1 377 . 1 1 31 31 LYS HB3 H 1 1.996 0.01 . 2 . . . . . . . . 5356 1 378 . 1 1 31 31 LYS HB2 H 1 2.086 0.01 . 2 . . . . . . . . 5356 1 379 . 1 1 31 31 LYS CG C 13 26.393 0.01 . 1 . . . . . . . . 5356 1 380 . 1 1 31 31 LYS HG3 H 1 1.403 0.01 . 2 . . . . . . . . 5356 1 381 . 1 1 31 31 LYS HG2 H 1 1.734 0.01 . 2 . . . . . . . . 5356 1 382 . 1 1 31 31 LYS CD C 13 29.827 0.01 . 1 . . . . . . . . 5356 1 383 . 1 1 31 31 LYS HD3 H 1 1.741 0.01 . 2 . . . . . . . . 5356 1 384 . 1 1 31 31 LYS HD2 H 1 1.769 0.01 . 2 . . . . . . . . 5356 1 385 . 1 1 31 31 LYS CE C 13 42.129 0.01 . 1 . . . . . . . . 5356 1 386 . 1 1 31 31 LYS HE3 H 1 2.962 0.01 . 2 . . . . . . . . 5356 1 387 . 1 1 31 31 LYS HE2 H 1 3.053 0.01 . 2 . . . . . . . . 5356 1 388 . 1 1 31 31 LYS C C 13 179.310 0.01 . 1 . . . . . . . . 5356 1 389 . 1 1 32 32 LYS N N 15 119.496 0.01 . 1 . . . . . . . . 5356 1 390 . 1 1 32 32 LYS H H 1 7.897 0.01 . 1 . . . . . . . . 5356 1 391 . 1 1 32 32 LYS CA C 13 59.589 0.01 . 1 . . . . . . . . 5356 1 392 . 1 1 32 32 LYS HA H 1 4.209 0.01 . 1 . . . . . . . . 5356 1 393 . 1 1 32 32 LYS CB C 13 32.354 0.01 . 1 . . . . . . . . 5356 1 394 . 1 1 32 32 LYS HB3 H 1 2.038 0.01 . 1 . . . . . . . . 5356 1 395 . 1 1 32 32 LYS HB2 H 1 2.038 0.01 . 1 . . . . . . . . 5356 1 396 . 1 1 32 32 LYS CG C 13 25.239 0.01 . 1 . . . . . . . . 5356 1 397 . 1 1 32 32 LYS HG3 H 1 1.553 0.01 . 2 . . . . . . . . 5356 1 398 . 1 1 32 32 LYS HG2 H 1 1.710 0.01 . 2 . . . . . . . . 5356 1 399 . 1 1 32 32 LYS CD C 13 29.285 0.01 . 1 . . . . . . . . 5356 1 400 . 1 1 32 32 LYS HD3 H 1 1.784 0.01 . 1 . . . . . . . . 5356 1 401 . 1 1 32 32 LYS HD2 H 1 1.784 0.01 . 1 . . . . . . . . 5356 1 402 . 1 1 32 32 LYS CE C 13 42.191 0.01 . 1 . . . . . . . . 5356 1 403 . 1 1 32 32 LYS HE3 H 1 3.053 0.01 . 1 . . . . . . . . 5356 1 404 . 1 1 32 32 LYS HE2 H 1 3.053 0.01 . 1 . . . . . . . . 5356 1 405 . 1 1 32 32 LYS C C 13 179.443 0.01 . 1 . . . . . . . . 5356 1 406 . 1 1 33 33 LYS N N 15 120.434 0.01 . 1 . . . . . . . . 5356 1 407 . 1 1 33 33 LYS H H 1 8.063 0.01 . 1 . . . . . . . . 5356 1 408 . 1 1 33 33 LYS CA C 13 58.960 0.01 . 1 . . . . . . . . 5356 1 409 . 1 1 33 33 LYS HA H 1 4.232 0.01 . 1 . . . . . . . . 5356 1 410 . 1 1 33 33 LYS CB C 13 31.994 0.01 . 1 . . . . . . . . 5356 1 411 . 1 1 33 33 LYS HB3 H 1 2.095 0.01 . 2 . . . . . . . . 5356 1 412 . 1 1 33 33 LYS HB2 H 1 2.157 0.01 . 2 . . . . . . . . 5356 1 413 . 1 1 33 33 LYS CG C 13 25.292 0.01 . 1 . . . . . . . . 5356 1 414 . 1 1 33 33 LYS HG3 H 1 1.664 0.01 . 2 . . . . . . . . 5356 1 415 . 1 1 33 33 LYS HG2 H 1 1.720 0.01 . 2 . . . . . . . . 5356 1 416 . 1 1 33 33 LYS CD C 13 28.873 0.01 . 1 . . . . . . . . 5356 1 417 . 1 1 33 33 LYS HD3 H 1 1.818 0.01 . 1 . . . . . . . . 5356 1 418 . 1 1 33 33 LYS HD2 H 1 1.818 0.01 . 1 . . . . . . . . 5356 1 419 . 1 1 33 33 LYS CE C 13 42.159 0.01 . 1 . . . . . . . . 5356 1 420 . 1 1 33 33 LYS HE3 H 1 2.999 0.01 . 2 . . . . . . . . 5356 1 421 . 1 1 33 33 LYS HE2 H 1 3.045 0.01 . 2 . . . . . . . . 5356 1 422 . 1 1 33 33 LYS C C 13 179.423 0.01 . 1 . . . . . . . . 5356 1 423 . 1 1 34 34 TRP N N 15 121.241 0.01 . 1 . . . . . . . . 5356 1 424 . 1 1 34 34 TRP H H 1 8.810 0.01 . 1 . . . . . . . . 5356 1 425 . 1 1 34 34 TRP CA C 13 60.403 0.01 . 1 . . . . . . . . 5356 1 426 . 1 1 34 34 TRP HA H 1 4.540 0.01 . 1 . . . . . . . . 5356 1 427 . 1 1 34 34 TRP CB C 13 29.747 0.01 . 1 . . . . . . . . 5356 1 428 . 1 1 34 34 TRP HB3 H 1 3.307 0.01 . 2 . . . . . . . . 5356 1 429 . 1 1 34 34 TRP HB2 H 1 3.704 0.01 . 2 . . . . . . . . 5356 1 430 . 1 1 34 34 TRP CD1 C 13 126.426 0.01 . 4 . . . . . . . . 5356 1 431 . 1 1 34 34 TRP HD1 H 1 7.212 0.01 . 1 . . . . . . . . 5356 1 432 . 1 1 34 34 TRP NE1 N 15 128.738 0.01 . 1 . . . . . . . . 5356 1 433 . 1 1 34 34 TRP HE1 H 1 10.494 0.01 . 1 . . . . . . . . 5356 1 434 . 1 1 34 34 TRP CZ2 C 13 114.215 0.01 . 4 . . . . . . . . 5356 1 435 . 1 1 34 34 TRP HZ2 H 1 7.529 0.01 . 4 . . . . . . . . 5356 1 436 . 1 1 34 34 TRP CH2 C 13 124.466 0.01 . 1 . . . . . . . . 5356 1 437 . 1 1 34 34 TRP HH2 H 1 7.155 0.01 . 1 . . . . . . . . 5356 1 438 . 1 1 34 34 TRP CZ3 C 13 121.552 0.01 . 4 . . . . . . . . 5356 1 439 . 1 1 34 34 TRP HZ3 H 1 7.598 0.01 . 4 . . . . . . . . 5356 1 440 . 1 1 34 34 TRP CE3 C 13 120.822 0.01 . 4 . . . . . . . . 5356 1 441 . 1 1 34 34 TRP HE3 H 1 6.965 0.01 . 4 . . . . . . . . 5356 1 442 . 1 1 34 34 TRP C C 13 176.638 0.01 . 1 . . . . . . . . 5356 1 443 . 1 1 35 35 GLU N N 15 117.745 0.01 . 1 . . . . . . . . 5356 1 444 . 1 1 35 35 GLU H H 1 8.261 0.01 . 1 . . . . . . . . 5356 1 445 . 1 1 35 35 GLU CA C 13 59.589 0.01 . 1 . . . . . . . . 5356 1 446 . 1 1 35 35 GLU HA H 1 3.575 0.01 . 1 . . . . . . . . 5356 1 447 . 1 1 35 35 GLU CB C 13 29.283 0.01 . 1 . . . . . . . . 5356 1 448 . 1 1 35 35 GLU HB3 H 1 2.163 0.01 . 2 . . . . . . . . 5356 1 449 . 1 1 35 35 GLU HB2 H 1 2.274 0.01 . 2 . . . . . . . . 5356 1 450 . 1 1 35 35 GLU CG C 13 36.243 0.01 . 1 . . . . . . . . 5356 1 451 . 1 1 35 35 GLU HG3 H 1 2.515 0.01 . 2 . . . . . . . . 5356 1 452 . 1 1 35 35 GLU HG2 H 1 2.571 0.01 . 2 . . . . . . . . 5356 1 453 . 1 1 35 35 GLU C C 13 179.772 0.01 . 1 . . . . . . . . 5356 1 454 . 1 1 36 36 GLU N N 15 118.881 0.01 . 1 . . . . . . . . 5356 1 455 . 1 1 36 36 GLU H H 1 7.891 0.01 . 1 . . . . . . . . 5356 1 456 . 1 1 36 36 GLU CA C 13 59.158 0.01 . 1 . . . . . . . . 5356 1 457 . 1 1 36 36 GLU HA H 1 4.036 0.01 . 1 . . . . . . . . 5356 1 458 . 1 1 36 36 GLU CB C 13 29.67 0.01 . 1 . . . . . . . . 5356 1 459 . 1 1 36 36 GLU HB3 H 1 2.173 0.01 . 2 . . . . . . . . 5356 1 460 . 1 1 36 36 GLU HB2 H 1 2.245 0.01 . 2 . . . . . . . . 5356 1 461 . 1 1 36 36 GLU CG C 13 36.357 0.01 . 1 . . . . . . . . 5356 1 462 . 1 1 36 36 GLU HG3 H 1 2.249 0.01 . 2 . . . . . . . . 5356 1 463 . 1 1 36 36 GLU HG2 H 1 2.506 0.01 . 2 . . . . . . . . 5356 1 464 . 1 1 36 36 GLU C C 13 179.663 0.01 . 1 . . . . . . . . 5356 1 465 . 1 1 37 37 LEU N N 15 122.254 0.01 . 1 . . . . . . . . 5356 1 466 . 1 1 37 37 LEU H H 1 8.235 0.01 . 1 . . . . . . . . 5356 1 467 . 1 1 37 37 LEU CA C 13 57.789 0.01 . 1 . . . . . . . . 5356 1 468 . 1 1 37 37 LEU HA H 1 4.066 0.01 . 1 . . . . . . . . 5356 1 469 . 1 1 37 37 LEU CB C 13 41.595 0.01 . 1 . . . . . . . . 5356 1 470 . 1 1 37 37 LEU HB3 H 1 1.617 0.01 . 2 . . . . . . . . 5356 1 471 . 1 1 37 37 LEU HB2 H 1 1.851 0.01 . 2 . . . . . . . . 5356 1 472 . 1 1 37 37 LEU CG C 13 27.105 0.01 . 1 . . . . . . . . 5356 1 473 . 1 1 37 37 LEU HG H 1 1.788 0.01 . 1 . . . . . . . . 5356 1 474 . 1 1 37 37 LEU CD1 C 13 24.928 0.01 . 1 . . . . . . . . 5356 1 475 . 1 1 37 37 LEU HD11 H 1 1.014 0.01 . 1 . . . . . . . . 5356 1 476 . 1 1 37 37 LEU HD12 H 1 1.014 0.01 . 1 . . . . . . . . 5356 1 477 . 1 1 37 37 LEU HD13 H 1 1.014 0.01 . 1 . . . . . . . . 5356 1 478 . 1 1 37 37 LEU CD2 C 13 25.088 0.01 . 1 . . . . . . . . 5356 1 479 . 1 1 37 37 LEU HD21 H 1 1.008 0.01 . 1 . . . . . . . . 5356 1 480 . 1 1 37 37 LEU HD22 H 1 1.008 0.01 . 1 . . . . . . . . 5356 1 481 . 1 1 37 37 LEU HD23 H 1 1.008 0.01 . 1 . . . . . . . . 5356 1 482 . 1 1 37 37 LEU C C 13 178.333 0.01 . 1 . . . . . . . . 5356 1 483 . 1 1 38 38 LYS N N 15 119.108 0.01 . 1 . . . . . . . . 5356 1 484 . 1 1 38 38 LYS H H 1 8.279 0.01 . 1 . . . . . . . . 5356 1 485 . 1 1 38 38 LYS CA C 13 60.374 0.01 . 1 . . . . . . . . 5356 1 486 . 1 1 38 38 LYS HA H 1 3.472 0.01 . 1 . . . . . . . . 5356 1 487 . 1 1 38 38 LYS CB C 13 31.462 0.01 . 1 . . . . . . . . 5356 1 488 . 1 1 38 38 LYS HB3 H 1 1.048 0.01 . 2 . . . . . . . . 5356 1 489 . 1 1 38 38 LYS HB2 H 1 1.368 0.01 . 2 . . . . . . . . 5356 1 490 . 1 1 38 38 LYS CG C 13 24.864 0.01 . 1 . . . . . . . . 5356 1 491 . 1 1 38 38 LYS HG3 H 1 0.695 0.01 . 2 . . . . . . . . 5356 1 492 . 1 1 38 38 LYS HG2 H 1 0.889 0.01 . 2 . . . . . . . . 5356 1 493 . 1 1 38 38 LYS CD C 13 29.389 0.01 . 1 . . . . . . . . 5356 1 494 . 1 1 38 38 LYS HD3 H 1 1.369 0.01 . 2 . . . . . . . . 5356 1 495 . 1 1 38 38 LYS HD2 H 1 1.400 0.01 . 2 . . . . . . . . 5356 1 496 . 1 1 38 38 LYS CE C 13 41.760 0.01 . 1 . . . . . . . . 5356 1 497 . 1 1 38 38 LYS HE3 H 1 2.414 0.01 . 2 . . . . . . . . 5356 1 498 . 1 1 38 38 LYS HE2 H 1 2.784 0.01 . 2 . . . . . . . . 5356 1 499 . 1 1 38 38 LYS C C 13 179.040 0.01 . 1 . . . . . . . . 5356 1 500 . 1 1 39 39 LYS N N 15 118.053 0.01 . 1 . . . . . . . . 5356 1 501 . 1 1 39 39 LYS H H 1 7.270 0.01 . 1 . . . . . . . . 5356 1 502 . 1 1 39 39 LYS CA C 13 59.071 0.01 . 1 . . . . . . . . 5356 1 503 . 1 1 39 39 LYS HA H 1 4.066 0.01 . 1 . . . . . . . . 5356 1 504 . 1 1 39 39 LYS CB C 13 32.105 0.01 . 1 . . . . . . . . 5356 1 505 . 1 1 39 39 LYS HB3 H 1 1.884 0.01 . 2 . . . . . . . . 5356 1 506 . 1 1 39 39 LYS HB2 H 1 1.938 0.01 . 2 . . . . . . . . 5356 1 507 . 1 1 39 39 LYS CG C 13 24.805 0.01 . 1 . . . . . . . . 5356 1 508 . 1 1 39 39 LYS HG3 H 1 1.441 0.01 . 2 . . . . . . . . 5356 1 509 . 1 1 39 39 LYS HG2 H 1 1.557 0.01 . 2 . . . . . . . . 5356 1 510 . 1 1 39 39 LYS CD C 13 29.097 0.01 . 1 . . . . . . . . 5356 1 511 . 1 1 39 39 LYS HD3 H 1 1.719 0.01 . 1 . . . . . . . . 5356 1 512 . 1 1 39 39 LYS HD2 H 1 1.719 0.01 . 1 . . . . . . . . 5356 1 513 . 1 1 39 39 LYS CE C 13 41.707 0.01 . 1 . . . . . . . . 5356 1 514 . 1 1 39 39 LYS HE3 H 1 3.007 0.01 . 1 . . . . . . . . 5356 1 515 . 1 1 39 39 LYS HE2 H 1 3.007 0.01 . 1 . . . . . . . . 5356 1 516 . 1 1 39 39 LYS C C 13 178.642 0.01 . 1 . . . . . . . . 5356 1 517 . 1 1 40 40 LYS N N 15 118.963 0.01 . 1 . . . . . . . . 5356 1 518 . 1 1 40 40 LYS H H 1 7.765 0.01 . 1 . . . . . . . . 5356 1 519 . 1 1 40 40 LYS CA C 13 59.181 0.01 . 1 . . . . . . . . 5356 1 520 . 1 1 40 40 LYS HA H 1 4.083 0.01 . 1 . . . . . . . . 5356 1 521 . 1 1 40 40 LYS CB C 13 32.466 0.01 . 1 . . . . . . . . 5356 1 522 . 1 1 40 40 LYS HB3 H 1 1.878 0.01 . 2 . . . . . . . . 5356 1 523 . 1 1 40 40 LYS HB2 H 1 2.080 0.01 . 2 . . . . . . . . 5356 1 524 . 1 1 40 40 LYS CG C 13 25.519 0.01 . 1 . . . . . . . . 5356 1 525 . 1 1 40 40 LYS HG3 H 1 1.514 0.01 . 2 . . . . . . . . 5356 1 526 . 1 1 40 40 LYS HG2 H 1 1.667 0.01 . 2 . . . . . . . . 5356 1 527 . 1 1 40 40 LYS CD C 13 29.344 0.01 . 1 . . . . . . . . 5356 1 528 . 1 1 40 40 LYS HD3 H 1 1.673 0.01 . 2 . . . . . . . . 5356 1 529 . 1 1 40 40 LYS HD2 H 1 1.733 0.01 . 2 . . . . . . . . 5356 1 530 . 1 1 40 40 LYS CE C 13 42.06 0.01 . 1 . . . . . . . . 5356 1 531 . 1 1 40 40 LYS HE3 H 1 2.961 0.01 . 1 . . . . . . . . 5356 1 532 . 1 1 40 40 LYS HE2 H 1 2.961 0.01 . 1 . . . . . . . . 5356 1 533 . 1 1 40 40 LYS C C 13 179.797 0.01 . 1 . . . . . . . . 5356 1 534 . 1 1 41 41 ILE N N 15 118.991 0.01 . 1 . . . . . . . . 5356 1 535 . 1 1 41 41 ILE H H 1 8.286 0.01 . 1 . . . . . . . . 5356 1 536 . 1 1 41 41 ILE CA C 13 65.237 0.01 . 1 . . . . . . . . 5356 1 537 . 1 1 41 41 ILE HA H 1 3.641 0.01 . 1 . . . . . . . . 5356 1 538 . 1 1 41 41 ILE CB C 13 38.025 0.01 . 1 . . . . . . . . 5356 1 539 . 1 1 41 41 ILE HB H 1 1.934 0.01 . 1 . . . . . . . . 5356 1 540 . 1 1 41 41 ILE CG1 C 13 30.535 0.01 . 1 . . . . . . . . 5356 1 541 . 1 1 41 41 ILE HG13 H 1 0.938 0.01 . 1 . . . . . . . . 5356 1 542 . 1 1 41 41 ILE HG12 H 1 1.807 0.01 . 1 . . . . . . . . 5356 1 543 . 1 1 41 41 ILE CD1 C 13 14.317 0.01 . 1 . . . . . . . . 5356 1 544 . 1 1 41 41 ILE HD11 H 1 0.763 0.01 . 1 . . . . . . . . 5356 1 545 . 1 1 41 41 ILE HD12 H 1 0.763 0.01 . 1 . . . . . . . . 5356 1 546 . 1 1 41 41 ILE HD13 H 1 0.763 0.01 . 1 . . . . . . . . 5356 1 547 . 1 1 41 41 ILE CG2 C 13 17.652 0.01 . 1 . . . . . . . . 5356 1 548 . 1 1 41 41 ILE HG21 H 1 0.921 0.01 . 1 . . . . . . . . 5356 1 549 . 1 1 41 41 ILE HG22 H 1 0.921 0.01 . 1 . . . . . . . . 5356 1 550 . 1 1 41 41 ILE HG23 H 1 0.921 0.01 . 1 . . . . . . . . 5356 1 551 . 1 1 41 41 ILE C C 13 178.413 0.01 . 1 . . . . . . . . 5356 1 552 . 1 1 42 42 GLU N N 15 120.027 0.01 . 1 . . . . . . . . 5356 1 553 . 1 1 42 42 GLU H H 1 7.868 0.01 . 1 . . . . . . . . 5356 1 554 . 1 1 42 42 GLU CA C 13 59.001 0.01 . 1 . . . . . . . . 5356 1 555 . 1 1 42 42 GLU HA H 1 4.097 0.01 . 1 . . . . . . . . 5356 1 556 . 1 1 42 42 GLU CB C 13 29.449 0.01 . 1 . . . . . . . . 5356 1 557 . 1 1 42 42 GLU HB3 H 1 2.180 0.01 . 2 . . . . . . . . 5356 1 558 . 1 1 42 42 GLU HB2 H 1 2.245 0.01 . 2 . . . . . . . . 5356 1 559 . 1 1 42 42 GLU CG C 13 36.325 0.01 . 1 . . . . . . . . 5356 1 560 . 1 1 42 42 GLU HG3 H 1 2.349 0.01 . 2 . . . . . . . . 5356 1 561 . 1 1 42 42 GLU HG2 H 1 2.507 0.01 . 2 . . . . . . . . 5356 1 562 . 1 1 42 42 GLU C C 13 178.703 0.01 . 1 . . . . . . . . 5356 1 563 . 1 1 43 43 GLU N N 15 117.198 0.01 . 1 . . . . . . . . 5356 1 564 . 1 1 43 43 GLU H H 1 7.722 0.01 . 1 . . . . . . . . 5356 1 565 . 1 1 43 43 GLU CA C 13 56.994 0.01 . 1 . . . . . . . . 5356 1 566 . 1 1 43 43 GLU HA H 1 4.313 0.01 . 1 . . . . . . . . 5356 1 567 . 1 1 43 43 GLU CB C 13 29.985 0.01 . 1 . . . . . . . . 5356 1 568 . 1 1 43 43 GLU HB3 H 1 2.089 0.01 . 2 . . . . . . . . 5356 1 569 . 1 1 43 43 GLU HB2 H 1 2.236 0.01 . 2 . . . . . . . . 5356 1 570 . 1 1 43 43 GLU CG C 13 36.321 0.01 . 1 . . . . . . . . 5356 1 571 . 1 1 43 43 GLU HG3 H 1 2.331 0.01 . 2 . . . . . . . . 5356 1 572 . 1 1 43 43 GLU HG2 H 1 2.525 0.01 . 2 . . . . . . . . 5356 1 573 . 1 1 43 43 GLU C C 13 177.641 0.01 . 1 . . . . . . . . 5356 1 574 . 1 1 44 44 LEU N N 15 120.865 0.01 . 1 . . . . . . . . 5356 1 575 . 1 1 44 44 LEU H H 1 7.640 0.01 . 1 . . . . . . . . 5356 1 576 . 1 1 44 44 LEU CA C 13 56.697 0.01 . 1 . . . . . . . . 5356 1 577 . 1 1 44 44 LEU HA H 1 4.260 0.01 . 1 . . . . . . . . 5356 1 578 . 1 1 44 44 LEU CB C 13 42.701 0.01 . 1 . . . . . . . . 5356 1 579 . 1 1 44 44 LEU HB3 H 1 1.624 0.01 . 2 . . . . . . . . 5356 1 580 . 1 1 44 44 LEU HB2 H 1 1.990 0.01 . 2 . . . . . . . . 5356 1 581 . 1 1 44 44 LEU CG C 13 26.472 0.01 . 1 . . . . . . . . 5356 1 582 . 1 1 44 44 LEU HG H 1 2.071 0.01 . 1 . . . . . . . . 5356 1 583 . 1 1 44 44 LEU CD1 C 13 26.105 0.01 . 1 . . . . . . . . 5356 1 584 . 1 1 44 44 LEU HD11 H 1 0.964 0.01 . 1 . . . . . . . . 5356 1 585 . 1 1 44 44 LEU HD12 H 1 0.964 0.01 . 1 . . . . . . . . 5356 1 586 . 1 1 44 44 LEU HD13 H 1 0.964 0.01 . 1 . . . . . . . . 5356 1 587 . 1 1 44 44 LEU CD2 C 13 23.852 0.01 . 1 . . . . . . . . 5356 1 588 . 1 1 44 44 LEU HD21 H 1 0.886 0.01 . 1 . . . . . . . . 5356 1 589 . 1 1 44 44 LEU HD22 H 1 0.886 0.01 . 1 . . . . . . . . 5356 1 590 . 1 1 44 44 LEU HD23 H 1 0.886 0.01 . 1 . . . . . . . . 5356 1 591 . 1 1 44 44 LEU C C 13 178.752 0.01 . 1 . . . . . . . . 5356 1 592 . 1 1 45 45 GLY N N 15 108.518 0.01 . 1 . . . . . . . . 5356 1 593 . 1 1 45 45 GLY H H 1 8.279 0.01 . 1 . . . . . . . . 5356 1 594 . 1 1 45 45 GLY CA C 13 46.246 0.01 . 1 . . . . . . . . 5356 1 595 . 1 1 45 45 GLY HA3 H 1 3.985 0.01 . 2 . . . . . . . . 5356 1 596 . 1 1 45 45 GLY HA2 H 1 4.065 0.01 . 2 . . . . . . . . 5356 1 597 . 1 1 45 45 GLY C C 13 174.983 0.01 . 1 . . . . . . . . 5356 1 598 . 1 1 46 46 GLY N N 15 108.182 0.01 . 1 . . . . . . . . 5356 1 599 . 1 1 46 46 GLY H H 1 8.229 0.01 . 1 . . . . . . . . 5356 1 600 . 1 1 46 46 GLY CA C 13 45.369 0.01 . 1 . . . . . . . . 5356 1 601 . 1 1 46 46 GLY HA3 H 1 3.980 0.01 . 2 . . . . . . . . 5356 1 602 . 1 1 46 46 GLY HA2 H 1 4.205 0.01 . 2 . . . . . . . . 5356 1 603 . 1 1 46 46 GLY C C 13 174.837 0.01 . 1 . . . . . . . . 5356 1 604 . 1 1 47 47 GLY N N 15 108.61 0.01 . 1 . . . . . . . . 5356 1 605 . 1 1 47 47 GLY H H 1 8.139 0.01 . 1 . . . . . . . . 5356 1 606 . 1 1 47 47 GLY CA C 13 45.291 0.01 . 1 . . . . . . . . 5356 1 607 . 1 1 47 47 GLY HA3 H 1 4.074 0.01 . 2 . . . . . . . . 5356 1 608 . 1 1 47 47 GLY HA2 H 1 4.195 0.01 . 2 . . . . . . . . 5356 1 609 . 1 1 47 47 GLY C C 13 174.731 0.01 . 1 . . . . . . . . 5356 1 610 . 1 1 48 48 GLY N N 15 108.368 0.01 . 1 . . . . . . . . 5356 1 611 . 1 1 48 48 GLY H H 1 8.368 0.01 . 1 . . . . . . . . 5356 1 612 . 1 1 48 48 GLY CA C 13 45.398 0.01 . 1 . . . . . . . . 5356 1 613 . 1 1 48 48 GLY HA3 H 1 4.075 0.01 . 2 . . . . . . . . 5356 1 614 . 1 1 48 48 GLY HA2 H 1 4.201 0.01 . 2 . . . . . . . . 5356 1 615 . 1 1 48 48 GLY C C 13 174.558 0.01 . 1 . . . . . . . . 5356 1 616 . 1 1 49 49 GLU N N 15 121.093 0.01 . 1 . . . . . . . . 5356 1 617 . 1 1 49 49 GLU H H 1 8.522 0.01 . 1 . . . . . . . . 5356 1 618 . 1 1 49 49 GLU CA C 13 56.572 0.01 . 1 . . . . . . . . 5356 1 619 . 1 1 49 49 GLU HA H 1 4.491 0.01 . 1 . . . . . . . . 5356 1 620 . 1 1 49 49 GLU CB C 13 29.707 0.01 . 1 . . . . . . . . 5356 1 621 . 1 1 49 49 GLU HB3 H 1 2.068 0.01 . 2 . . . . . . . . 5356 1 622 . 1 1 49 49 GLU HB2 H 1 2.206 0.01 . 2 . . . . . . . . 5356 1 623 . 1 1 49 49 GLU CG C 13 36.554 0.01 . 1 . . . . . . . . 5356 1 624 . 1 1 49 49 GLU HG3 H 1 2.350 0.01 . 2 . . . . . . . . 5356 1 625 . 1 1 49 49 GLU HG2 H 1 2.405 0.01 . 2 . . . . . . . . 5356 1 626 . 1 1 49 49 GLU C C 13 177.214 0.01 . 1 . . . . . . . . 5356 1 627 . 1 1 50 50 VAL N N 15 121.951 0.01 . 1 . . . . . . . . 5356 1 628 . 1 1 50 50 VAL H H 1 8.122 0.01 . 1 . . . . . . . . 5356 1 629 . 1 1 50 50 VAL CA C 13 65.099 0.01 . 1 . . . . . . . . 5356 1 630 . 1 1 50 50 VAL HA H 1 3.843 0.01 . 1 . . . . . . . . 5356 1 631 . 1 1 50 50 VAL CB C 13 32.257 0.01 . 1 . . . . . . . . 5356 1 632 . 1 1 50 50 VAL HB H 1 2.200 0.01 . 1 . . . . . . . . 5356 1 633 . 1 1 50 50 VAL CG2 C 13 22.165 0.01 . 1 . . . . . . . . 5356 1 634 . 1 1 50 50 VAL HG21 H 1 1.049 0.01 . 1 . . . . . . . . 5356 1 635 . 1 1 50 50 VAL HG22 H 1 1.049 0.01 . 1 . . . . . . . . 5356 1 636 . 1 1 50 50 VAL HG23 H 1 1.049 0.01 . 1 . . . . . . . . 5356 1 637 . 1 1 50 50 VAL CG1 C 13 21.123 0.01 . 1 . . . . . . . . 5356 1 638 . 1 1 50 50 VAL HG11 H 1 0.983 0.01 . 1 . . . . . . . . 5356 1 639 . 1 1 50 50 VAL HG12 H 1 0.983 0.01 . 1 . . . . . . . . 5356 1 640 . 1 1 50 50 VAL HG13 H 1 0.983 0.01 . 1 . . . . . . . . 5356 1 641 . 1 1 50 50 VAL C C 13 176.847 0.01 . 1 . . . . . . . . 5356 1 642 . 1 1 51 51 LYS N N 15 120.591 0.01 . 1 . . . . . . . . 5356 1 643 . 1 1 51 51 LYS H H 1 8.308 0.01 . 1 . . . . . . . . 5356 1 644 . 1 1 51 51 LYS CA C 13 59.444 0.01 . 1 . . . . . . . . 5356 1 645 . 1 1 51 51 LYS HA H 1 4.250 0.01 . 1 . . . . . . . . 5356 1 646 . 1 1 51 51 LYS CB C 13 32.263 0.01 . 1 . . . . . . . . 5356 1 647 . 1 1 51 51 LYS HB3 H 1 1.931 0.01 . 1 . . . . . . . . 5356 1 648 . 1 1 51 51 LYS HB2 H 1 1.931 0.01 . 1 . . . . . . . . 5356 1 649 . 1 1 51 51 LYS CG C 13 24.918 0.01 . 1 . . . . . . . . 5356 1 650 . 1 1 51 51 LYS HG3 H 1 1.520 0.01 . 2 . . . . . . . . 5356 1 651 . 1 1 51 51 LYS HG2 H 1 1.587 0.01 . 2 . . . . . . . . 5356 1 652 . 1 1 51 51 LYS CD C 13 29.107 0.01 . 1 . . . . . . . . 5356 1 653 . 1 1 51 51 LYS HD3 H 1 1.765 0.01 . 1 . . . . . . . . 5356 1 654 . 1 1 51 51 LYS HD2 H 1 1.765 0.01 . 1 . . . . . . . . 5356 1 655 . 1 1 51 51 LYS CE C 13 42.191 0.01 . 1 . . . . . . . . 5356 1 656 . 1 1 51 51 LYS HE3 H 1 3.062 0.01 . 1 . . . . . . . . 5356 1 657 . 1 1 51 51 LYS HE2 H 1 3.062 0.01 . 1 . . . . . . . . 5356 1 658 . 1 1 51 51 LYS C C 13 178.456 0.01 . 1 . . . . . . . . 5356 1 659 . 1 1 52 52 LYS N N 15 117.564 0.01 . 1 . . . . . . . . 5356 1 660 . 1 1 52 52 LYS H H 1 7.669 0.01 . 1 . . . . . . . . 5356 1 661 . 1 1 52 52 LYS CA C 13 58.968 0.01 . 1 . . . . . . . . 5356 1 662 . 1 1 52 52 LYS HA H 1 4.232 0.01 . 1 . . . . . . . . 5356 1 663 . 1 1 52 52 LYS CB C 13 32.216 0.01 . 1 . . . . . . . . 5356 1 664 . 1 1 52 52 LYS HB3 H 1 1.934 0.01 . 2 . . . . . . . . 5356 1 665 . 1 1 52 52 LYS HB2 H 1 1.987 0.01 . 2 . . . . . . . . 5356 1 666 . 1 1 52 52 LYS CG C 13 25.029 0.01 . 1 . . . . . . . . 5356 1 667 . 1 1 52 52 LYS HG3 H 1 1.519 0.01 . 2 . . . . . . . . 5356 1 668 . 1 1 52 52 LYS HG2 H 1 1.596 0.01 . 2 . . . . . . . . 5356 1 669 . 1 1 52 52 LYS CD C 13 29.025 0.01 . 1 . . . . . . . . 5356 1 670 . 1 1 52 52 LYS HD3 H 1 1.771 0.01 . 1 . . . . . . . . 5356 1 671 . 1 1 52 52 LYS HD2 H 1 1.771 0.01 . 1 . . . . . . . . 5356 1 672 . 1 1 52 52 LYS CE C 13 42.191 0.01 . 1 . . . . . . . . 5356 1 673 . 1 1 52 52 LYS HE3 H 1 3.059 0.01 . 1 . . . . . . . . 5356 1 674 . 1 1 52 52 LYS HE2 H 1 3.059 0.01 . 1 . . . . . . . . 5356 1 675 . 1 1 52 52 LYS C C 13 179.343 0.01 . 1 . . . . . . . . 5356 1 676 . 1 1 53 53 VAL N N 15 118.619 0.01 . 1 . . . . . . . . 5356 1 677 . 1 1 53 53 VAL H H 1 7.684 0.01 . 1 . . . . . . . . 5356 1 678 . 1 1 53 53 VAL CA C 13 66.005 0.01 . 1 . . . . . . . . 5356 1 679 . 1 1 53 53 VAL HA H 1 3.880 0.01 . 1 . . . . . . . . 5356 1 680 . 1 1 53 53 VAL CB C 13 31.486 0.01 . 1 . . . . . . . . 5356 1 681 . 1 1 53 53 VAL HB H 1 2.182 0.01 . 1 . . . . . . . . 5356 1 682 . 1 1 53 53 VAL CG2 C 13 23.357 0.01 . 1 . . . . . . . . 5356 1 683 . 1 1 53 53 VAL HG21 H 1 1.062 0.01 . 1 . . . . . . . . 5356 1 684 . 1 1 53 53 VAL HG22 H 1 1.062 0.01 . 1 . . . . . . . . 5356 1 685 . 1 1 53 53 VAL HG23 H 1 1.062 0.01 . 1 . . . . . . . . 5356 1 686 . 1 1 53 53 VAL CG1 C 13 22.791 0.01 . 1 . . . . . . . . 5356 1 687 . 1 1 53 53 VAL HG11 H 1 0.973 0.01 . 1 . . . . . . . . 5356 1 688 . 1 1 53 53 VAL HG12 H 1 0.973 0.01 . 1 . . . . . . . . 5356 1 689 . 1 1 53 53 VAL HG13 H 1 0.973 0.01 . 1 . . . . . . . . 5356 1 690 . 1 1 53 53 VAL C C 13 177.97 0.01 . 1 . . . . . . . . 5356 1 691 . 1 1 54 54 GLU N N 15 120.419 0.01 . 1 . . . . . . . . 5356 1 692 . 1 1 54 54 GLU H H 1 8.643 0.01 . 1 . . . . . . . . 5356 1 693 . 1 1 54 54 GLU CA C 13 60.418 0.01 . 1 . . . . . . . . 5356 1 694 . 1 1 54 54 GLU HA H 1 3.881 0.01 . 1 . . . . . . . . 5356 1 695 . 1 1 54 54 GLU CB C 13 29.877 0.01 . 1 . . . . . . . . 5356 1 696 . 1 1 54 54 GLU HB3 H 1 2.138 0.01 . 2 . . . . . . . . 5356 1 697 . 1 1 54 54 GLU HB2 H 1 2.400 0.01 . 2 . . . . . . . . 5356 1 698 . 1 1 54 54 GLU CG C 13 37.293 0.01 . 1 . . . . . . . . 5356 1 699 . 1 1 54 54 GLU HG3 H 1 2.257 0.01 . 2 . . . . . . . . 5356 1 700 . 1 1 54 54 GLU HG2 H 1 2.498 0.01 . 2 . . . . . . . . 5356 1 701 . 1 1 54 54 GLU C C 13 179.609 0.01 . 1 . . . . . . . . 5356 1 702 . 1 1 55 55 GLU N N 15 118.598 0.01 . 1 . . . . . . . . 5356 1 703 . 1 1 55 55 GLU H H 1 7.995 0.01 . 1 . . . . . . . . 5356 1 704 . 1 1 55 55 GLU CA C 13 59.392 0.01 . 1 . . . . . . . . 5356 1 705 . 1 1 55 55 GLU HA H 1 4.141 0.01 . 1 . . . . . . . . 5356 1 706 . 1 1 55 55 GLU CB C 13 29.475 0.01 . 1 . . . . . . . . 5356 1 707 . 1 1 55 55 GLU HB3 H 1 2.200 0.01 . 2 . . . . . . . . 5356 1 708 . 1 1 55 55 GLU HB2 H 1 2.308 0.01 . 2 . . . . . . . . 5356 1 709 . 1 1 55 55 GLU CG C 13 36.340 0.01 . 1 . . . . . . . . 5356 1 710 . 1 1 55 55 GLU HG3 H 1 2.404 0.01 . 2 . . . . . . . . 5356 1 711 . 1 1 55 55 GLU HG2 H 1 2.544 0.01 . 2 . . . . . . . . 5356 1 712 . 1 1 55 55 GLU C C 13 179.252 0.01 . 1 . . . . . . . . 5356 1 713 . 1 1 56 56 GLU N N 15 120.328 0.01 . 1 . . . . . . . . 5356 1 714 . 1 1 56 56 GLU H H 1 7.943 0.01 . 1 . . . . . . . . 5356 1 715 . 1 1 56 56 GLU CA C 13 59.709 0.01 . 1 . . . . . . . . 5356 1 716 . 1 1 56 56 GLU HA H 1 4.165 0.01 . 1 . . . . . . . . 5356 1 717 . 1 1 56 56 GLU CB C 13 30.130 0.01 . 1 . . . . . . . . 5356 1 718 . 1 1 56 56 GLU HB3 H 1 2.246 0.01 . 2 . . . . . . . . 5356 1 719 . 1 1 56 56 GLU HB2 H 1 2.324 0.01 . 2 . . . . . . . . 5356 1 720 . 1 1 56 56 GLU CG C 13 36.758 0.01 . 1 . . . . . . . . 5356 1 721 . 1 1 56 56 GLU HG3 H 1 2.404 0.01 . 2 . . . . . . . . 5356 1 722 . 1 1 56 56 GLU HG2 H 1 2.562 0.01 . 2 . . . . . . . . 5356 1 723 . 1 1 56 56 GLU C C 13 179.863 0.01 . 1 . . . . . . . . 5356 1 724 . 1 1 57 57 VAL N N 15 121.313 0.01 . 1 . . . . . . . . 5356 1 725 . 1 1 57 57 VAL H H 1 8.665 0.01 . 1 . . . . . . . . 5356 1 726 . 1 1 57 57 VAL CA C 13 67.045 0.01 . 1 . . . . . . . . 5356 1 727 . 1 1 57 57 VAL HA H 1 3.657 0.01 . 1 . . . . . . . . 5356 1 728 . 1 1 57 57 VAL CB C 13 31.667 0.01 . 1 . . . . . . . . 5356 1 729 . 1 1 57 57 VAL HB H 1 2.321 0.01 . 1 . . . . . . . . 5356 1 730 . 1 1 57 57 VAL CG2 C 13 24.699 0.01 . 1 . . . . . . . . 5356 1 731 . 1 1 57 57 VAL HG21 H 1 1.157 0.01 . 1 . . . . . . . . 5356 1 732 . 1 1 57 57 VAL HG22 H 1 1.157 0.01 . 1 . . . . . . . . 5356 1 733 . 1 1 57 57 VAL HG23 H 1 1.157 0.01 . 1 . . . . . . . . 5356 1 734 . 1 1 57 57 VAL CG1 C 13 21.809 0.01 . 1 . . . . . . . . 5356 1 735 . 1 1 57 57 VAL HG11 H 1 0.986 0.01 . 1 . . . . . . . . 5356 1 736 . 1 1 57 57 VAL HG12 H 1 0.986 0.01 . 1 . . . . . . . . 5356 1 737 . 1 1 57 57 VAL HG13 H 1 0.986 0.01 . 1 . . . . . . . . 5356 1 738 . 1 1 57 57 VAL C C 13 177.103 0.01 . 1 . . . . . . . . 5356 1 739 . 1 1 58 58 LYS N N 15 120.058 0.01 . 1 . . . . . . . . 5356 1 740 . 1 1 58 58 LYS H H 1 7.913 0.01 . 1 . . . . . . . . 5356 1 741 . 1 1 58 58 LYS CA C 13 59.627 0.01 . 1 . . . . . . . . 5356 1 742 . 1 1 58 58 LYS HA H 1 4.260 0.01 . 1 . . . . . . . . 5356 1 743 . 1 1 58 58 LYS CB C 13 32.315 0.01 . 1 . . . . . . . . 5356 1 744 . 1 1 58 58 LYS HB3 H 1 2.031 0.01 . 1 . . . . . . . . 5356 1 745 . 1 1 58 58 LYS HB2 H 1 2.031 0.01 . 1 . . . . . . . . 5356 1 746 . 1 1 58 58 LYS CG C 13 25.130 0.01 . 1 . . . . . . . . 5356 1 747 . 1 1 58 58 LYS HG3 H 1 1.519 0.01 . 2 . . . . . . . . 5356 1 748 . 1 1 58 58 LYS HG2 H 1 1.679 0.01 . 2 . . . . . . . . 5356 1 749 . 1 1 58 58 LYS CD C 13 29.259 0.01 . 1 . . . . . . . . 5356 1 750 . 1 1 58 58 LYS HD3 H 1 1.775 0.01 . 1 . . . . . . . . 5356 1 751 . 1 1 58 58 LYS HD2 H 1 1.775 0.01 . 1 . . . . . . . . 5356 1 752 . 1 1 58 58 LYS CE C 13 41.707 0.01 . 1 . . . . . . . . 5356 1 753 . 1 1 58 58 LYS HE3 H 1 3.013 0.01 . 1 . . . . . . . . 5356 1 754 . 1 1 58 58 LYS HE2 H 1 3.013 0.01 . 1 . . . . . . . . 5356 1 755 . 1 1 58 58 LYS C C 13 179.221 0.01 . 1 . . . . . . . . 5356 1 756 . 1 1 59 59 LYS N N 15 118.343 0.01 . 1 . . . . . . . . 5356 1 757 . 1 1 59 59 LYS H H 1 7.943 0.01 . 1 . . . . . . . . 5356 1 758 . 1 1 59 59 LYS CA C 13 59.533 0.01 . 1 . . . . . . . . 5356 1 759 . 1 1 59 59 LYS HA H 1 4.140 0.01 . 1 . . . . . . . . 5356 1 760 . 1 1 59 59 LYS CB C 13 32.467 0.01 . 1 . . . . . . . . 5356 1 761 . 1 1 59 59 LYS HB3 H 1 2.011 0.01 . 1 . . . . . . . . 5356 1 762 . 1 1 59 59 LYS HB2 H 1 2.011 0.01 . 1 . . . . . . . . 5356 1 763 . 1 1 59 59 LYS CG C 13 25.466 0.01 . 1 . . . . . . . . 5356 1 764 . 1 1 59 59 LYS HG3 H 1 1.556 0.01 . 2 . . . . . . . . 5356 1 765 . 1 1 59 59 LYS HG2 H 1 1.710 0.01 . 2 . . . . . . . . 5356 1 766 . 1 1 59 59 LYS CD C 13 29.405 0.01 . 1 . . . . . . . . 5356 1 767 . 1 1 59 59 LYS HD3 H 1 1.782 0.01 . 1 . . . . . . . . 5356 1 768 . 1 1 59 59 LYS HD2 H 1 1.782 0.01 . 1 . . . . . . . . 5356 1 769 . 1 1 59 59 LYS CE C 13 42.159 0.01 . 1 . . . . . . . . 5356 1 770 . 1 1 59 59 LYS HE3 H 1 3.034 0.01 . 1 . . . . . . . . 5356 1 771 . 1 1 59 59 LYS HE2 H 1 3.034 0.01 . 1 . . . . . . . . 5356 1 772 . 1 1 59 59 LYS C C 13 179.404 0.01 . 1 . . . . . . . . 5356 1 773 . 1 1 60 60 LEU N N 15 121.476 0.01 . 1 . . . . . . . . 5356 1 774 . 1 1 60 60 LEU H H 1 7.944 0.01 . 1 . . . . . . . . 5356 1 775 . 1 1 60 60 LEU CA C 13 58.177 0.01 . 1 . . . . . . . . 5356 1 776 . 1 1 60 60 LEU HA H 1 4.287 0.01 . 1 . . . . . . . . 5356 1 777 . 1 1 60 60 LEU CB C 13 41.604 0.01 . 1 . . . . . . . . 5356 1 778 . 1 1 60 60 LEU HB3 H 1 1.809 0.01 . 2 . . . . . . . . 5356 1 779 . 1 1 60 60 LEU HB2 H 1 1.945 0.01 . 2 . . . . . . . . 5356 1 780 . 1 1 60 60 LEU CG C 13 27.677 0.01 . 1 . . . . . . . . 5356 1 781 . 1 1 60 60 LEU HG H 1 1.813 0.01 . 1 . . . . . . . . 5356 1 782 . 1 1 60 60 LEU CD1 C 13 25.130 0.01 . 1 . . . . . . . . 5356 1 783 . 1 1 60 60 LEU HD11 H 1 1.117 0.01 . 1 . . . . . . . . 5356 1 784 . 1 1 60 60 LEU HD12 H 1 1.117 0.01 . 1 . . . . . . . . 5356 1 785 . 1 1 60 60 LEU HD13 H 1 1.117 0.01 . 1 . . . . . . . . 5356 1 786 . 1 1 60 60 LEU CD2 C 13 26.381 0.01 . 1 . . . . . . . . 5356 1 787 . 1 1 60 60 LEU HD21 H 1 1.060 0.01 . 1 . . . . . . . . 5356 1 788 . 1 1 60 60 LEU HD22 H 1 1.060 0.01 . 1 . . . . . . . . 5356 1 789 . 1 1 60 60 LEU HD23 H 1 1.060 0.01 . 1 . . . . . . . . 5356 1 790 . 1 1 60 60 LEU C C 13 178.747 0.01 . 1 . . . . . . . . 5356 1 791 . 1 1 61 61 GLU N N 15 118.968 0.01 . 1 . . . . . . . . 5356 1 792 . 1 1 61 61 GLU H H 1 8.708 0.01 . 1 . . . . . . . . 5356 1 793 . 1 1 61 61 GLU CA C 13 60.365 0.01 . 1 . . . . . . . . 5356 1 794 . 1 1 61 61 GLU HA H 1 3.796 0.01 . 1 . . . . . . . . 5356 1 795 . 1 1 61 61 GLU CB C 13 29.958 0.01 . 1 . . . . . . . . 5356 1 796 . 1 1 61 61 GLU HB3 H 1 2.315 0.01 . 1 . . . . . . . . 5356 1 797 . 1 1 61 61 GLU HB2 H 1 2.315 0.01 . 1 . . . . . . . . 5356 1 798 . 1 1 61 61 GLU CG C 13 37.278 0.01 . 1 . . . . . . . . 5356 1 799 . 1 1 61 61 GLU HG3 H 1 2.182 0.01 . 2 . . . . . . . . 5356 1 800 . 1 1 61 61 GLU HG2 H 1 2.426 0.01 . 2 . . . . . . . . 5356 1 801 . 1 1 61 61 GLU C C 13 179.084 0.01 . 1 . . . . . . . . 5356 1 802 . 1 1 62 62 GLU N N 15 117.525 0.01 . 1 . . . . . . . . 5356 1 803 . 1 1 62 62 GLU H H 1 8.024 0.01 . 1 . . . . . . . . 5356 1 804 . 1 1 62 62 GLU CA C 13 59.180 0.01 . 1 . . . . . . . . 5356 1 805 . 1 1 62 62 GLU HA H 1 4.042 0.01 . 1 . . . . . . . . 5356 1 806 . 1 1 62 62 GLU CB C 13 29.513 0.01 . 1 . . . . . . . . 5356 1 807 . 1 1 62 62 GLU HB3 H 1 2.181 0.01 . 2 . . . . . . . . 5356 1 808 . 1 1 62 62 GLU HB2 H 1 2.267 0.01 . 2 . . . . . . . . 5356 1 809 . 1 1 62 62 GLU CG C 13 36.401 0.01 . 1 . . . . . . . . 5356 1 810 . 1 1 62 62 GLU HG3 H 1 2.402 0.01 . 2 . . . . . . . . 5356 1 811 . 1 1 62 62 GLU HG2 H 1 2.506 0.01 . 2 . . . . . . . . 5356 1 812 . 1 1 62 62 GLU C C 13 178.945 0.01 . 1 . . . . . . . . 5356 1 813 . 1 1 63 63 GLU N N 15 119.250 0.01 . 1 . . . . . . . . 5356 1 814 . 1 1 63 63 GLU H H 1 7.980 0.01 . 1 . . . . . . . . 5356 1 815 . 1 1 63 63 GLU CA C 13 59.438 0.01 . 1 . . . . . . . . 5356 1 816 . 1 1 63 63 GLU HA H 1 4.091 0.01 . 1 . . . . . . . . 5356 1 817 . 1 1 63 63 GLU CB C 13 29.757 0.01 . 1 . . . . . . . . 5356 1 818 . 1 1 63 63 GLU HB3 H 1 2.160 0.01 . 2 . . . . . . . . 5356 1 819 . 1 1 63 63 GLU HB2 H 1 2.298 0.01 . 2 . . . . . . . . 5356 1 820 . 1 1 63 63 GLU CG C 13 36.316 0.01 . 1 . . . . . . . . 5356 1 821 . 1 1 63 63 GLU HG3 H 1 2.374 0.01 . 2 . . . . . . . . 5356 1 822 . 1 1 63 63 GLU HG2 H 1 2.491 0.01 . 2 . . . . . . . . 5356 1 823 . 1 1 63 63 GLU C C 13 179.926 0.01 . 1 . . . . . . . . 5356 1 824 . 1 1 64 64 ILE N N 15 118.345 0.01 . 1 . . . . . . . . 5356 1 825 . 1 1 64 64 ILE H H 1 8.317 0.01 . 1 . . . . . . . . 5356 1 826 . 1 1 64 64 ILE CA C 13 64.649 0.01 . 1 . . . . . . . . 5356 1 827 . 1 1 64 64 ILE HA H 1 3.732 0.01 . 1 . . . . . . . . 5356 1 828 . 1 1 64 64 ILE CB C 13 38.095 0.01 . 1 . . . . . . . . 5356 1 829 . 1 1 64 64 ILE HB H 1 1.959 0.01 . 1 . . . . . . . . 5356 1 830 . 1 1 64 64 ILE CG1 C 13 29.948 0.01 . 1 . . . . . . . . 5356 1 831 . 1 1 64 64 ILE HG13 H 1 1.078 0.01 . 1 . . . . . . . . 5356 1 832 . 1 1 64 64 ILE HG12 H 1 1.786 0.01 . 1 . . . . . . . . 5356 1 833 . 1 1 64 64 ILE CD1 C 13 14.441 0.01 . 1 . . . . . . . . 5356 1 834 . 1 1 64 64 ILE HD11 H 1 0.700 0.01 . 1 . . . . . . . . 5356 1 835 . 1 1 64 64 ILE HD12 H 1 0.700 0.01 . 1 . . . . . . . . 5356 1 836 . 1 1 64 64 ILE HD13 H 1 0.700 0.01 . 1 . . . . . . . . 5356 1 837 . 1 1 64 64 ILE CG2 C 13 17.633 0.01 . 1 . . . . . . . . 5356 1 838 . 1 1 64 64 ILE HG21 H 1 0.890 0.01 . 1 . . . . . . . . 5356 1 839 . 1 1 64 64 ILE HG22 H 1 0.890 0.01 . 1 . . . . . . . . 5356 1 840 . 1 1 64 64 ILE HG23 H 1 0.890 0.01 . 1 . . . . . . . . 5356 1 841 . 1 1 64 64 ILE C C 13 177.926 0.01 . 1 . . . . . . . . 5356 1 842 . 1 1 65 65 LYS N N 15 118.665 0.01 . 1 . . . . . . . . 5356 1 843 . 1 1 65 65 LYS H H 1 7.674 0.01 . 1 . . . . . . . . 5356 1 844 . 1 1 65 65 LYS CA C 13 58.616 0.01 . 1 . . . . . . . . 5356 1 845 . 1 1 65 65 LYS HA H 1 4.136 0.01 . 1 . . . . . . . . 5356 1 846 . 1 1 65 65 LYS CB C 13 32.727 0.01 . 1 . . . . . . . . 5356 1 847 . 1 1 65 65 LYS HB3 H 1 1.977 0.01 . 2 . . . . . . . . 5356 1 848 . 1 1 65 65 LYS HB2 H 1 2.007 0.01 . 2 . . . . . . . . 5356 1 849 . 1 1 65 65 LYS CG C 13 25.399 0.01 . 1 . . . . . . . . 5356 1 850 . 1 1 65 65 LYS HG3 H 1 1.555 0.01 . 2 . . . . . . . . 5356 1 851 . 1 1 65 65 LYS HG2 H 1 1.698 0.01 . 2 . . . . . . . . 5356 1 852 . 1 1 65 65 LYS CD C 13 29.587 0.01 . 1 . . . . . . . . 5356 1 853 . 1 1 65 65 LYS HD3 H 1 1.745 0.01 . 1 . . . . . . . . 5356 1 854 . 1 1 65 65 LYS HD2 H 1 1.745 0.01 . 1 . . . . . . . . 5356 1 855 . 1 1 65 65 LYS CE C 13 42.205 0.01 . 1 . . . . . . . . 5356 1 856 . 1 1 65 65 LYS HE3 H 1 3.021 0.01 . 1 . . . . . . . . 5356 1 857 . 1 1 65 65 LYS HE2 H 1 3.021 0.01 . 1 . . . . . . . . 5356 1 858 . 1 1 65 65 LYS C C 13 177.296 0.01 . 1 . . . . . . . . 5356 1 859 . 1 1 66 66 LYS N N 15 116.964 0.01 . 1 . . . . . . . . 5356 1 860 . 1 1 66 66 LYS H H 1 7.316 0.01 . 1 . . . . . . . . 5356 1 861 . 1 1 66 66 LYS CA C 13 56.484 0.01 . 1 . . . . . . . . 5356 1 862 . 1 1 66 66 LYS HA H 1 4.389 0.01 . 1 . . . . . . . . 5356 1 863 . 1 1 66 66 LYS CB C 13 33.186 0.01 . 1 . . . . . . . . 5356 1 864 . 1 1 66 66 LYS HB3 H 1 1.858 0.01 . 2 . . . . . . . . 5356 1 865 . 1 1 66 66 LYS HB2 H 1 2.090 0.01 . 2 . . . . . . . . 5356 1 866 . 1 1 66 66 LYS CG C 13 25.275 0.01 . 1 . . . . . . . . 5356 1 867 . 1 1 66 66 LYS HG3 H 1 1.523 0.01 . 2 . . . . . . . . 5356 1 868 . 1 1 66 66 LYS HG2 H 1 1.671 0.01 . 2 . . . . . . . . 5356 1 869 . 1 1 66 66 LYS CD C 13 29.476 0.01 . 1 . . . . . . . . 5356 1 870 . 1 1 66 66 LYS HD3 H 1 1.750 0.01 . 1 . . . . . . . . 5356 1 871 . 1 1 66 66 LYS HD2 H 1 1.750 0.01 . 1 . . . . . . . . 5356 1 872 . 1 1 66 66 LYS CE C 13 42.404 0.01 . 1 . . . . . . . . 5356 1 873 . 1 1 66 66 LYS HE3 H 1 3.030 0.01 . 1 . . . . . . . . 5356 1 874 . 1 1 66 66 LYS HE2 H 1 3.030 0.01 . 1 . . . . . . . . 5356 1 875 . 1 1 66 66 LYS C C 13 176.084 0.01 . 1 . . . . . . . . 5356 1 876 . 1 1 67 67 LEU N N 15 126.369 0.01 . 1 . . . . . . . . 5356 1 877 . 1 1 67 67 LEU H H 1 7.250 0.01 . 1 . . . . . . . . 5356 1 878 . 1 1 67 67 LEU CA C 13 57.164 0.01 . 1 . . . . . . . . 5356 1 879 . 1 1 67 67 LEU HA H 1 4.149 0.01 . 1 . . . . . . . . 5356 1 880 . 1 1 67 67 LEU CB C 13 43.233 0.01 . 1 . . . . . . . . 5356 1 881 . 1 1 67 67 LEU HB3 H 1 1.620 0.01 . 2 . . . . . . . . 5356 1 882 . 1 1 67 67 LEU HB2 H 1 1.812 0.01 . 2 . . . . . . . . 5356 1 883 . 1 1 67 67 LEU CG C 13 26.849 0.01 . 1 . . . . . . . . 5356 1 884 . 1 1 67 67 LEU HG H 1 1.903 0.01 . 1 . . . . . . . . 5356 1 885 . 1 1 67 67 LEU CD1 C 13 26.868 0.01 . 1 . . . . . . . . 5356 1 886 . 1 1 67 67 LEU HD11 H 1 0.959 0.01 . 1 . . . . . . . . 5356 1 887 . 1 1 67 67 LEU HD12 H 1 0.959 0.01 . 1 . . . . . . . . 5356 1 888 . 1 1 67 67 LEU HD13 H 1 0.959 0.01 . 1 . . . . . . . . 5356 1 889 . 1 1 67 67 LEU CD2 C 13 22.984 0.01 . 1 . . . . . . . . 5356 1 890 . 1 1 67 67 LEU HD21 H 1 0.896 0.01 . 1 . . . . . . . . 5356 1 891 . 1 1 67 67 LEU HD22 H 1 0.896 0.01 . 1 . . . . . . . . 5356 1 892 . 1 1 67 67 LEU HD23 H 1 0.896 0.01 . 1 . . . . . . . . 5356 1 893 . 1 1 67 67 LEU C C 13 170.285 0.01 . 1 . . . . . . . . 5356 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 441 5356 1 1 440 5356 1 1 439 5356 1 1 438 5356 1 1 435 5356 1 1 434 5356 1 1 430 5356 1 stop_ save_