data_6538 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6538 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for 2B4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-07 _Entry.Accession_date 2005-03-07 _Entry.Last_release_date 2005-05-27 _Entry.Original_release_date 2005-05-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Chemical Shift Assignments for D1 domain of 2B4' _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 James Ames . B. . 6538 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6538 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 437 6538 '15N chemical shifts' 98 6538 '1H chemical shifts' 641 6538 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 . . 2005-05-27 2005-03-07 original author . 6538 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6538 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR Structure of the Natural Killer Cell Receptor 2B4 (CD244): Implications for Ligand Recognition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry. _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 17 _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 6416 _Citation.Page_last 6423 _Citation.Year 2005 _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 J. Ames . B. . 6538 1 2 V. Vyas . . . 6538 1 3 J. Lusin . D. . 6538 1 4 R. Mariuzza . . . 6538 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6538 _Assembly.ID 1 _Assembly.Name '2B4 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'D1 domain of the Natural Killer Cell Receptor, 2B4' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 2B4_polypeptide 1 $2B4_polypeptide . . yes native no no . . . 6538 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 1 . 1 CYS 99 99 SG . . . . . . . . . . 6538 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_2B4_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode 2B4_polypeptide _Entity.Entry_ID 6538 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'D1 domain of 2B4' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'D1 domain of the Natural Killer Cell Receptor, 2B4' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DCPDSSEEVVGVSGKPVQLR PSNIQTKDVSVQWKKTEQGS HRKIEILNWYNDGPSWSNVS FSDIYGFDYGDFALSIKSAK LQDSGHYLLEITNTGGKVCN KNFQLLILD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; D1 domain of 2B4 starts at residue D21 in the mouse gene sequence. Amino acid sequence was renumbered in this study so that the first residue (D21) now becomes D1. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . 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 . ASP . 6538 1 2 . CYS . 6538 1 3 . PRO . 6538 1 4 . ASP . 6538 1 5 . SER . 6538 1 6 . SER . 6538 1 7 . GLU . 6538 1 8 . GLU . 6538 1 9 . VAL . 6538 1 10 . VAL . 6538 1 11 . GLY . 6538 1 12 . VAL . 6538 1 13 . SER . 6538 1 14 . GLY . 6538 1 15 . LYS . 6538 1 16 . PRO . 6538 1 17 . VAL . 6538 1 18 . GLN . 6538 1 19 . LEU . 6538 1 20 . ARG . 6538 1 21 . PRO . 6538 1 22 . SER . 6538 1 23 . ASN . 6538 1 24 . ILE . 6538 1 25 . GLN . 6538 1 26 . THR . 6538 1 27 . LYS . 6538 1 28 . ASP . 6538 1 29 . VAL . 6538 1 30 . SER . 6538 1 31 . VAL . 6538 1 32 . GLN . 6538 1 33 . TRP . 6538 1 34 . LYS . 6538 1 35 . LYS . 6538 1 36 . THR . 6538 1 37 . GLU . 6538 1 38 . GLN . 6538 1 39 . GLY . 6538 1 40 . SER . 6538 1 41 . HIS . 6538 1 42 . ARG . 6538 1 43 . LYS . 6538 1 44 . ILE . 6538 1 45 . GLU . 6538 1 46 . ILE . 6538 1 47 . LEU . 6538 1 48 . ASN . 6538 1 49 . TRP . 6538 1 50 . TYR . 6538 1 51 . ASN . 6538 1 52 . ASP . 6538 1 53 . GLY . 6538 1 54 . PRO . 6538 1 55 . SER . 6538 1 56 . TRP . 6538 1 57 . SER . 6538 1 58 . ASN . 6538 1 59 . VAL . 6538 1 60 . SER . 6538 1 61 . PHE . 6538 1 62 . SER . 6538 1 63 . ASP . 6538 1 64 . ILE . 6538 1 65 . TYR . 6538 1 66 . GLY . 6538 1 67 . PHE . 6538 1 68 . ASP . 6538 1 69 . TYR . 6538 1 70 . GLY . 6538 1 71 . ASP . 6538 1 72 . PHE . 6538 1 73 . ALA . 6538 1 74 . LEU . 6538 1 75 . SER . 6538 1 76 . ILE . 6538 1 77 . LYS . 6538 1 78 . SER . 6538 1 79 . ALA . 6538 1 80 . LYS . 6538 1 81 . LEU . 6538 1 82 . GLN . 6538 1 83 . ASP . 6538 1 84 . SER . 6538 1 85 . GLY . 6538 1 86 . HIS . 6538 1 87 . TYR . 6538 1 88 . LEU . 6538 1 89 . LEU . 6538 1 90 . GLU . 6538 1 91 . ILE . 6538 1 92 . THR . 6538 1 93 . ASN . 6538 1 94 . THR . 6538 1 95 . GLY . 6538 1 96 . GLY . 6538 1 97 . LYS . 6538 1 98 . VAL . 6538 1 99 . CYS . 6538 1 100 . ASN . 6538 1 101 . LYS . 6538 1 102 . ASN . 6538 1 103 . PHE . 6538 1 104 . GLN . 6538 1 105 . LEU . 6538 1 106 . LEU . 6538 1 107 . ILE . 6538 1 108 . LEU . 6538 1 109 . ASP . 6538 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 . ASP 1 1 6538 1 . CYS 2 2 6538 1 . PRO 3 3 6538 1 . ASP 4 4 6538 1 . SER 5 5 6538 1 . SER 6 6 6538 1 . GLU 7 7 6538 1 . GLU 8 8 6538 1 . VAL 9 9 6538 1 . VAL 10 10 6538 1 . GLY 11 11 6538 1 . VAL 12 12 6538 1 . SER 13 13 6538 1 . GLY 14 14 6538 1 . LYS 15 15 6538 1 . PRO 16 16 6538 1 . VAL 17 17 6538 1 . GLN 18 18 6538 1 . LEU 19 19 6538 1 . ARG 20 20 6538 1 . PRO 21 21 6538 1 . SER 22 22 6538 1 . ASN 23 23 6538 1 . ILE 24 24 6538 1 . GLN 25 25 6538 1 . THR 26 26 6538 1 . LYS 27 27 6538 1 . ASP 28 28 6538 1 . VAL 29 29 6538 1 . SER 30 30 6538 1 . VAL 31 31 6538 1 . GLN 32 32 6538 1 . TRP 33 33 6538 1 . LYS 34 34 6538 1 . LYS 35 35 6538 1 . THR 36 36 6538 1 . GLU 37 37 6538 1 . GLN 38 38 6538 1 . GLY 39 39 6538 1 . SER 40 40 6538 1 . HIS 41 41 6538 1 . ARG 42 42 6538 1 . LYS 43 43 6538 1 . ILE 44 44 6538 1 . GLU 45 45 6538 1 . ILE 46 46 6538 1 . LEU 47 47 6538 1 . ASN 48 48 6538 1 . TRP 49 49 6538 1 . TYR 50 50 6538 1 . ASN 51 51 6538 1 . ASP 52 52 6538 1 . GLY 53 53 6538 1 . PRO 54 54 6538 1 . SER 55 55 6538 1 . TRP 56 56 6538 1 . SER 57 57 6538 1 . ASN 58 58 6538 1 . VAL 59 59 6538 1 . SER 60 60 6538 1 . PHE 61 61 6538 1 . SER 62 62 6538 1 . ASP 63 63 6538 1 . ILE 64 64 6538 1 . TYR 65 65 6538 1 . GLY 66 66 6538 1 . PHE 67 67 6538 1 . ASP 68 68 6538 1 . TYR 69 69 6538 1 . GLY 70 70 6538 1 . ASP 71 71 6538 1 . PHE 72 72 6538 1 . ALA 73 73 6538 1 . LEU 74 74 6538 1 . SER 75 75 6538 1 . ILE 76 76 6538 1 . LYS 77 77 6538 1 . SER 78 78 6538 1 . ALA 79 79 6538 1 . LYS 80 80 6538 1 . LEU 81 81 6538 1 . GLN 82 82 6538 1 . ASP 83 83 6538 1 . SER 84 84 6538 1 . GLY 85 85 6538 1 . HIS 86 86 6538 1 . TYR 87 87 6538 1 . LEU 88 88 6538 1 . LEU 89 89 6538 1 . GLU 90 90 6538 1 . ILE 91 91 6538 1 . THR 92 92 6538 1 . ASN 93 93 6538 1 . THR 94 94 6538 1 . GLY 95 95 6538 1 . GLY 96 96 6538 1 . LYS 97 97 6538 1 . VAL 98 98 6538 1 . CYS 99 99 6538 1 . ASN 100 100 6538 1 . LYS 101 101 6538 1 . ASN 102 102 6538 1 . PHE 103 103 6538 1 . GLN 104 104 6538 1 . LEU 105 105 6538 1 . LEU 106 106 6538 1 . ILE 107 107 6538 1 . LEU 108 108 6538 1 . ASP 109 109 6538 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 6538 _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 $2B4_polypeptide . 10090 . no . Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6538 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 6538 _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 $2B4_polypeptide . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6538 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6538 _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 'D1 domain of 2B4' '[U-95% 13C; U-90% 15N]' . . 1 $2B4_polypeptide . . 0.4 . . mM . . . . 6538 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 6538 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6538 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 0.001 M 6538 1 pH 7.2 0.2 pH 6538 1 temperature 298 0.1 K 6538 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6538 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6538 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HSQC yes . . . . . . . . . . . . isotropic . . . . . . . . . . . . . . . . . . . . . . . . . 6538 1 2 HNCO yes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6538 1 3 HNCACB yes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6538 1 4 CBCACONH yes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6538 1 5 HNCOCACB yes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6538 1 6 HBHACONH yes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6538 1 7 '15N-edited NOESY and TOCSY-HSQC' yes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6538 1 8 '13C-edited NOESY-HSQC' yes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6538 1 9 HCCH-TOCSY yes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6538 1 stop_ save_ save_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HSQC _NMR_spec_expt.Entry_ID 6538 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6538 _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 . . . . . . . . . 6538 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6538 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6538 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6538 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 6538 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 ASP H H 1 8.43 0.02 . 1 . . . . 1 ASP H . 6538 1 2 . 1 1 1 1 ASP HA H 1 4.50 0.02 . 1 . . . . 1 ASP HA . 6538 1 3 . 1 1 1 1 ASP HB2 H 1 2.53 0.02 . 2 . . . . 1 ASP HB2 . 6538 1 4 . 1 1 1 1 ASP CA C 13 54.58 0.1 . 1 . . . . 1 ASP CA . 6538 1 5 . 1 1 1 1 ASP CB C 13 42.06 0.1 . 1 . . . . 1 ASP CB . 6538 1 6 . 1 1 1 1 ASP N N 15 121.45 0.1 . 1 . . . . 1 ASP N . 6538 1 7 . 1 1 2 2 CYS HA H 1 5.14 0.02 . 1 . . . . 2 CYS HA . 6538 1 8 . 1 1 2 2 CYS HB2 H 1 2.97 0.02 . 2 . . . . 2 CYS HB2 . 6538 1 9 . 1 1 2 2 CYS HB3 H 1 3.60 0.02 . 2 . . . . 2 CYS HB3 . 6538 1 10 . 1 1 2 2 CYS CA C 13 51.77 0.1 . 1 . . . . 2 CYS CA . 6538 1 11 . 1 1 2 2 CYS CB C 13 39.65 0.1 . 1 . . . . 2 CYS CB . 6538 1 12 . 1 1 3 3 PRO HA H 1 4.70 0.02 . 1 . . . . 3 PRO HA . 6538 1 13 . 1 1 3 3 PRO HB2 H 1 1.98 0.02 . 2 . . . . 3 PRO HB2 . 6538 1 14 . 1 1 3 3 PRO HB3 H 1 2.25 0.02 . 2 . . . . 3 PRO HB3 . 6538 1 15 . 1 1 3 3 PRO HG2 H 1 2.06 0.02 . 2 . . . . 3 PRO HG2 . 6538 1 16 . 1 1 3 3 PRO HD2 H 1 3.63 0.02 . 2 . . . . 3 PRO HD2 . 6538 1 17 . 1 1 3 3 PRO HD3 H 1 3.90 0.02 . 2 . . . . 3 PRO HD3 . 6538 1 18 . 1 1 3 3 PRO C C 13 176.76 0.1 . 1 . . . . 3 PRO C . 6538 1 19 . 1 1 3 3 PRO CA C 13 62.04 0.1 . 1 . . . . 3 PRO CA . 6538 1 20 . 1 1 3 3 PRO CB C 13 32.16 0.1 . 1 . . . . 3 PRO CB . 6538 1 21 . 1 1 3 3 PRO CG C 13 26.67 0.1 . 1 . . . . 3 PRO CG . 6538 1 22 . 1 1 3 3 PRO CD C 13 50.60 0.1 . 1 . . . . 3 PRO CD . 6538 1 23 . 1 1 4 4 ASP H H 1 8.62 0.02 . 1 . . . . 4 ASP H . 6538 1 24 . 1 1 4 4 ASP HA H 1 5.21 0.02 . 1 . . . . 4 ASP HA . 6538 1 25 . 1 1 4 4 ASP HB2 H 1 2.69 0.02 . 2 . . . . 4 ASP HB2 . 6538 1 26 . 1 1 4 4 ASP HB3 H 1 2.76 0.02 . 2 . . . . 4 ASP HB3 . 6538 1 27 . 1 1 4 4 ASP C C 13 176.98 0.1 . 1 . . . . 4 ASP C . 6538 1 28 . 1 1 4 4 ASP CA C 13 54.43 0.1 . 1 . . . . 4 ASP CA . 6538 1 29 . 1 1 4 4 ASP CB C 13 40.58 0.1 . 1 . . . . 4 ASP CB . 6538 1 30 . 1 1 4 4 ASP N N 15 123.91 0.1 . 1 . . . . 4 ASP N . 6538 1 31 . 1 1 5 5 SER H H 1 8.31 0.02 . 1 . . . . 5 SER H . 6538 1 32 . 1 1 5 5 SER HA H 1 4.77 0.02 . 1 . . . . 5 SER HA . 6538 1 33 . 1 1 5 5 SER HB2 H 1 3.68 0.02 . 2 . . . . 5 SER HB2 . 6538 1 34 . 1 1 5 5 SER HB3 H 1 3.90 0.02 . 2 . . . . 5 SER HB3 . 6538 1 35 . 1 1 5 5 SER C C 13 173.78 0.1 . 1 . . . . 5 SER C . 6538 1 36 . 1 1 5 5 SER CA C 13 57.68 0.1 . 1 . . . . 5 SER CA . 6538 1 37 . 1 1 5 5 SER CB C 13 66.55 0.1 . 1 . . . . 5 SER CB . 6538 1 38 . 1 1 5 5 SER N N 15 114.50 0.1 . 1 . . . . 5 SER N . 6538 1 39 . 1 1 6 6 SER H H 1 8.55 0.02 . 1 . . . . 6 SER H . 6538 1 40 . 1 1 6 6 SER HA H 1 5.06 0.02 . 1 . . . . 6 SER HA . 6538 1 41 . 1 1 6 6 SER HB2 H 1 3.66 0.02 . 2 . . . . 6 SER HB2 . 6538 1 42 . 1 1 6 6 SER HB3 H 1 3.74 0.02 . 2 . . . . 6 SER HB3 . 6538 1 43 . 1 1 6 6 SER C C 13 172.96 0.1 . 1 . . . . 6 SER C . 6538 1 44 . 1 1 6 6 SER CA C 13 57.52 0.1 . 1 . . . . 6 SER CA . 6538 1 45 . 1 1 6 6 SER CB C 13 64.52 0.1 . 1 . . . . 6 SER CB . 6538 1 46 . 1 1 6 6 SER N N 15 117.85 0.1 . 1 . . . . 6 SER N . 6538 1 47 . 1 1 7 7 GLU H H 1 7.92 0.02 . 1 . . . . 7 GLU H . 6538 1 48 . 1 1 7 7 GLU HA H 1 4.76 0.02 . 1 . . . . 7 GLU HA . 6538 1 49 . 1 1 7 7 GLU HB2 H 1 1.83 0.02 . 2 . . . . 7 GLU HB2 . 6538 1 50 . 1 1 7 7 GLU HB3 H 1 1.98 0.02 . 2 . . . . 7 GLU HB3 . 6538 1 51 . 1 1 7 7 GLU HG2 H 1 2.02 0.02 . 2 . . . . 7 GLU HG2 . 6538 1 52 . 1 1 7 7 GLU C C 13 174.45 0.1 . 1 . . . . 7 GLU C . 6538 1 53 . 1 1 7 7 GLU CA C 13 54.84 0.1 . 1 . . . . 7 GLU CA . 6538 1 54 . 1 1 7 7 GLU CB C 13 33.89 0.1 . 1 . . . . 7 GLU CB . 6538 1 55 . 1 1 7 7 GLU CG C 13 36.30 0.1 . 1 . . . . 7 GLU CG . 6538 1 56 . 1 1 7 7 GLU N N 15 124.14 0.1 . 1 . . . . 7 GLU N . 6538 1 57 . 1 1 8 8 GLU H H 1 8.83 0.02 . 1 . . . . 8 GLU H . 6538 1 58 . 1 1 8 8 GLU HA H 1 5.15 0.02 . 1 . . . . 8 GLU HA . 6538 1 59 . 1 1 8 8 GLU HB2 H 1 2.00 0.02 . 2 . . . . 8 GLU HB2 . 6538 1 60 . 1 1 8 8 GLU HB3 H 1 2.09 0.02 . 2 . . . . 8 GLU HB3 . 6538 1 61 . 1 1 8 8 GLU HG2 H 1 2.20 0.02 . 2 . . . . 8 GLU HG2 . 6538 1 62 . 1 1 8 8 GLU HG3 H 1 2.30 0.02 . 2 . . . . 8 GLU HG3 . 6538 1 63 . 1 1 8 8 GLU C C 13 175.86 0.1 . 1 . . . . 8 GLU C . 6538 1 64 . 1 1 8 8 GLU CA C 13 55.53 0.1 . 1 . . . . 8 GLU CA . 6538 1 65 . 1 1 8 8 GLU CB C 13 31.61 0.1 . 1 . . . . 8 GLU CB . 6538 1 66 . 1 1 8 8 GLU CG C 13 37.03 0.1 . 1 . . . . 8 GLU CG . 6538 1 67 . 1 1 8 8 GLU N N 15 123.71 0.1 . 1 . . . . 8 GLU N . 6538 1 68 . 1 1 9 9 VAL H H 1 9.10 0.02 . 1 . . . . 9 VAL H . 6538 1 69 . 1 1 9 9 VAL HA H 1 4.40 0.02 . 1 . . . . 9 VAL HA . 6538 1 70 . 1 1 9 9 VAL HB H 1 1.73 0.02 . 1 . . . . 9 VAL HB . 6538 1 71 . 1 1 9 9 VAL HG11 H 1 0.84 0.02 . 2 . . . . 9 VAL HG1 . 6538 1 72 . 1 1 9 9 VAL HG12 H 1 0.84 0.02 . 2 . . . . 9 VAL HG1 . 6538 1 73 . 1 1 9 9 VAL HG13 H 1 0.84 0.02 . 2 . . . . 9 VAL HG1 . 6538 1 74 . 1 1 9 9 VAL HG21 H 1 1.15 0.02 . 2 . . . . 9 VAL HG2 . 6538 1 75 . 1 1 9 9 VAL HG22 H 1 1.15 0.02 . 2 . . . . 9 VAL HG2 . 6538 1 76 . 1 1 9 9 VAL HG23 H 1 1.15 0.02 . 2 . . . . 9 VAL HG2 . 6538 1 77 . 1 1 9 9 VAL C C 13 173.61 0.2 . 1 . . . . 9 VAL C . 6538 1 78 . 1 1 9 9 VAL CA C 13 61.42 0.1 . 1 . . . . 9 VAL CA . 6538 1 79 . 1 1 9 9 VAL CB C 13 35.77 0.1 . 1 . . . . 9 VAL CB . 6538 1 80 . 1 1 9 9 VAL CG1 C 13 21.66 0.1 . 1 . . . . 9 VAL CG1 . 6538 1 81 . 1 1 9 9 VAL CG2 C 13 21.98 0.1 . 1 . . . . 9 VAL CG2 . 6538 1 82 . 1 1 9 9 VAL N N 15 126.39 0.1 . 1 . . . . 9 VAL N . 6538 1 83 . 1 1 10 10 VAL H H 1 8.60 0.02 . 1 . . . . 10 VAL H . 6538 1 84 . 1 1 10 10 VAL HA H 1 5.29 0.02 . 1 . . . . 10 VAL HA . 6538 1 85 . 1 1 10 10 VAL HB H 1 1.94 0.02 . 1 . . . . 10 VAL HB . 6538 1 86 . 1 1 10 10 VAL HG11 H 1 0.87 0.02 . 2 . . . . 10 VAL HG1 . 6538 1 87 . 1 1 10 10 VAL HG12 H 1 0.87 0.02 . 2 . . . . 10 VAL HG1 . 6538 1 88 . 1 1 10 10 VAL HG13 H 1 0.87 0.02 . 2 . . . . 10 VAL HG1 . 6538 1 89 . 1 1 10 10 VAL HG21 H 1 0.95 0.02 . 2 . . . . 10 VAL HG2 . 6538 1 90 . 1 1 10 10 VAL HG22 H 1 0.95 0.02 . 2 . . . . 10 VAL HG2 . 6538 1 91 . 1 1 10 10 VAL HG23 H 1 0.95 0.02 . 2 . . . . 10 VAL HG2 . 6538 1 92 . 1 1 10 10 VAL C C 13 176.19 0.1 . 1 . . . . 10 VAL C . 6538 1 93 . 1 1 10 10 VAL CA C 13 60.43 0.1 . 1 . . . . 10 VAL CA . 6538 1 94 . 1 1 10 10 VAL CB C 13 34.05 0.1 . 1 . . . . 10 VAL CB . 6538 1 95 . 1 1 10 10 VAL CG1 C 13 20.91 0.1 . 1 . . . . 10 VAL CG1 . 6538 1 96 . 1 1 10 10 VAL CG2 C 13 21.21 0.1 . 1 . . . . 10 VAL CG2 . 6538 1 97 . 1 1 10 10 VAL N N 15 127.37 0.1 . 1 . . . . 10 VAL N . 6538 1 98 . 1 1 11 11 GLY H H 1 8.97 0.02 . 1 . . . . 11 GLY H . 6538 1 99 . 1 1 11 11 GLY HA2 H 1 3.36 0.02 . 2 . . . . 11 GLY HA2 . 6538 1 100 . 1 1 11 11 GLY HA3 H 1 4.64 0.02 . 2 . . . . 11 GLY HA3 . 6538 1 101 . 1 1 11 11 GLY C C 13 171.11 0.1 . 1 . . . . 11 GLY C . 6538 1 102 . 1 1 11 11 GLY CA C 13 43.70 0.1 . 1 . . . . 11 GLY CA . 6538 1 103 . 1 1 11 11 GLY N N 15 113.74 0.1 . 1 . . . . 11 GLY N . 6538 1 104 . 1 1 12 12 VAL H H 1 8.04 0.02 . 1 . . . . 12 VAL H . 6538 1 105 . 1 1 12 12 VAL HA H 1 4.75 0.02 . 1 . . . . 12 VAL HA . 6538 1 106 . 1 1 12 12 VAL HB H 1 1.81 0.02 . 1 . . . . 12 VAL HB . 6538 1 107 . 1 1 12 12 VAL HG11 H 1 0.90 0.02 . 2 . . . . 12 VAL HG1 . 6538 1 108 . 1 1 12 12 VAL HG12 H 1 0.90 0.02 . 2 . . . . 12 VAL HG1 . 6538 1 109 . 1 1 12 12 VAL HG13 H 1 0.90 0.02 . 2 . . . . 12 VAL HG1 . 6538 1 110 . 1 1 12 12 VAL HG21 H 1 0.95 0.02 . 2 . . . . 12 VAL HG2 . 6538 1 111 . 1 1 12 12 VAL HG22 H 1 0.95 0.02 . 2 . . . . 12 VAL HG2 . 6538 1 112 . 1 1 12 12 VAL HG23 H 1 0.95 0.02 . 2 . . . . 12 VAL HG2 . 6538 1 113 . 1 1 12 12 VAL C C 13 175.54 0.1 . 1 . . . . 12 VAL C . 6538 1 114 . 1 1 12 12 VAL CA C 13 60.31 0.1 . 1 . . . . 12 VAL CA . 6538 1 115 . 1 1 12 12 VAL CB C 13 34.91 0.1 . 1 . . . . 12 VAL CB . 6538 1 116 . 1 1 12 12 VAL CG1 C 13 21.76 0.1 . 1 . . . . 12 VAL CG1 . 6538 1 117 . 1 1 12 12 VAL CG2 C 13 21.18 0.1 . 1 . . . . 12 VAL CG2 . 6538 1 118 . 1 1 12 12 VAL N N 15 117.92 0.1 . 1 . . . . 12 VAL N . 6538 1 119 . 1 1 13 13 SER H H 1 8.51 0.02 . 1 . . . . 13 SER H . 6538 1 120 . 1 1 13 13 SER HA H 1 3.76 0.02 . 1 . . . . 13 SER HA . 6538 1 121 . 1 1 13 13 SER HB2 H 1 3.78 0.02 . 2 . . . . 13 SER HB2 . 6538 1 122 . 1 1 13 13 SER C C 13 175.67 0.1 . 1 . . . . 13 SER C . 6538 1 123 . 1 1 13 13 SER CA C 13 59.41 0.1 . 1 . . . . 13 SER CA . 6538 1 124 . 1 1 13 13 SER CB C 13 63.24 0.1 . 1 . . . . 13 SER CB . 6538 1 125 . 1 1 13 13 SER N N 15 120.44 0.1 . 1 . . . . 13 SER N . 6538 1 126 . 1 1 14 14 GLY H H 1 9.74 0.02 . 1 . . . . 14 GLY H . 6538 1 127 . 1 1 14 14 GLY HA2 H 1 3.58 0.02 . 2 . . . . 14 GLY HA2 . 6538 1 128 . 1 1 14 14 GLY HA3 H 1 4.18 0.02 . 2 . . . . 14 GLY HA3 . 6538 1 129 . 1 1 14 14 GLY C C 13 173.88 0.1 . 1 . . . . 14 GLY C . 6538 1 130 . 1 1 14 14 GLY CA C 13 45.03 0.1 . 1 . . . . 14 GLY CA . 6538 1 131 . 1 1 14 14 GLY N N 15 112.44 0.1 . 1 . . . . 14 GLY N . 6538 1 132 . 1 1 15 15 LYS H H 1 7.82 0.02 . 1 . . . . 15 LYS H . 6538 1 133 . 1 1 15 15 LYS HA H 1 4.97 0.02 . 1 . . . . 15 LYS HA . 6538 1 134 . 1 1 15 15 LYS HB2 H 1 1.89 0.02 . 2 . . . . 15 LYS HB2 . 6538 1 135 . 1 1 15 15 LYS HG2 H 1 1.37 0.02 . 2 . . . . 15 LYS HG2 . 6538 1 136 . 1 1 15 15 LYS HG3 H 1 1.31 0.02 . 2 . . . . 15 LYS HG3 . 6538 1 137 . 1 1 15 15 LYS HD2 H 1 1.60 0.02 . 2 . . . . 15 LYS HD2 . 6538 1 138 . 1 1 15 15 LYS HD3 H 1 1.71 0.02 . 2 . . . . 15 LYS HD3 . 6538 1 139 . 1 1 15 15 LYS HE2 H 1 2.98 0.02 . 2 . . . . 15 LYS HE2 . 6538 1 140 . 1 1 15 15 LYS CA C 13 53.03 0.1 . 1 . . . . 15 LYS CA . 6538 1 141 . 1 1 15 15 LYS CB C 13 33.26 0.1 . 1 . . . . 15 LYS CB . 6538 1 142 . 1 1 15 15 LYS CG C 13 25.22 0.1 . 1 . . . . 15 LYS CG . 6538 1 143 . 1 1 15 15 LYS CD C 13 28.60 0.1 . 1 . . . . 15 LYS CD . 6538 1 144 . 1 1 15 15 LYS CE C 13 42.78 0.1 . 1 . . . . 15 LYS CE . 6538 1 145 . 1 1 15 15 LYS N N 15 120.41 0.1 . 1 . . . . 15 LYS N . 6538 1 146 . 1 1 16 16 PRO HA H 1 4.95 0.02 . 1 . . . . 16 PRO HA . 6538 1 147 . 1 1 16 16 PRO HB2 H 1 1.68 0.02 . 2 . . . . 16 PRO HB2 . 6538 1 148 . 1 1 16 16 PRO HB3 H 1 2.34 0.02 . 2 . . . . 16 PRO HB3 . 6538 1 149 . 1 1 16 16 PRO HG2 H 1 2.02 0.02 . 2 . . . . 16 PRO HG2 . 6538 1 150 . 1 1 16 16 PRO HG3 H 1 2.08 0.02 . 2 . . . . 16 PRO HG3 . 6538 1 151 . 1 1 16 16 PRO HD2 H 1 3.63 0.02 . 2 . . . . 16 PRO HD2 . 6538 1 152 . 1 1 16 16 PRO HD3 H 1 3.86 0.02 . 2 . . . . 16 PRO HD3 . 6538 1 153 . 1 1 16 16 PRO C C 13 177.93 0.1 . 1 . . . . 16 PRO C . 6538 1 154 . 1 1 16 16 PRO CA C 13 62.14 0.1 . 1 . . . . 16 PRO CA . 6538 1 155 . 1 1 16 16 PRO CB C 13 32.54 0.1 . 1 . . . . 16 PRO CB . 6538 1 156 . 1 1 16 16 PRO CG C 13 27.30 0.1 . 1 . . . . 16 PRO CG . 6538 1 157 . 1 1 16 16 PRO CD C 13 50.61 0.1 . 1 . . . . 16 PRO CD . 6538 1 158 . 1 1 17 17 VAL H H 1 8.39 0.02 . 1 . . . . 17 VAL H . 6538 1 159 . 1 1 17 17 VAL HA H 1 4.31 0.02 . 1 . . . . 17 VAL HA . 6538 1 160 . 1 1 17 17 VAL HB H 1 1.87 0.02 . 1 . . . . 17 VAL HB . 6538 1 161 . 1 1 17 17 VAL HG11 H 1 0.80 0.02 . 2 . . . . 17 VAL HG1 . 6538 1 162 . 1 1 17 17 VAL HG12 H 1 0.80 0.02 . 2 . . . . 17 VAL HG1 . 6538 1 163 . 1 1 17 17 VAL HG13 H 1 0.80 0.02 . 2 . . . . 17 VAL HG1 . 6538 1 164 . 1 1 17 17 VAL HG21 H 1 0.68 0.02 . 2 . . . . 17 VAL HG2 . 6538 1 165 . 1 1 17 17 VAL HG22 H 1 0.68 0.02 . 2 . . . . 17 VAL HG2 . 6538 1 166 . 1 1 17 17 VAL HG23 H 1 0.68 0.02 . 2 . . . . 17 VAL HG2 . 6538 1 167 . 1 1 17 17 VAL C C 13 172.87 0.1 . 1 . . . . 17 VAL C . 6538 1 168 . 1 1 17 17 VAL CA C 13 60.72 0.1 . 1 . . . . 17 VAL CA . 6538 1 169 . 1 1 17 17 VAL CB C 13 35.27 0.1 . 1 . . . . 17 VAL CB . 6538 1 170 . 1 1 17 17 VAL CG1 C 13 22.10 0.1 . 1 . . . . 17 VAL CG1 . 6538 1 171 . 1 1 17 17 VAL CG2 C 13 20.79 0.1 . 1 . . . . 17 VAL CG2 . 6538 1 172 . 1 1 17 17 VAL N N 15 119.99 0.1 . 1 . . . . 17 VAL N . 6538 1 173 . 1 1 18 18 GLN H H 1 8.24 0.02 . 1 . . . . 18 GLN H . 6538 1 174 . 1 1 18 18 GLN HA H 1 4.72 0.02 . 1 . . . . 18 GLN HA . 6538 1 175 . 1 1 18 18 GLN HB2 H 1 1.62 0.02 . 2 . . . . 18 GLN HB2 . 6538 1 176 . 1 1 18 18 GLN HB3 H 1 1.79 0.02 . 2 . . . . 18 GLN HB3 . 6538 1 177 . 1 1 18 18 GLN HG2 H 1 2.01 0.02 . 2 . . . . 18 GLN HG2 . 6538 1 178 . 1 1 18 18 GLN C C 13 173.64 0.1 . 1 . . . . 18 GLN C . 6538 1 179 . 1 1 18 18 GLN CA C 13 54.71 0.1 . 1 . . . . 18 GLN CA . 6538 1 180 . 1 1 18 18 GLN CB C 13 31.41 0.1 . 1 . . . . 18 GLN CB . 6538 1 181 . 1 1 18 18 GLN CG C 13 34.10 0.1 . 1 . . . . 18 GLN CG . 6538 1 182 . 1 1 18 18 GLN N N 15 124.48 0.1 . 1 . . . . 18 GLN N . 6538 1 183 . 1 1 19 19 LEU H H 1 8.83 0.02 . 1 . . . . 19 LEU H . 6538 1 184 . 1 1 19 19 LEU HA H 1 4.03 0.02 . 1 . . . . 19 LEU HA . 6538 1 185 . 1 1 19 19 LEU HB2 H 1 0.30 0.02 . 2 . . . . 19 LEU HB2 . 6538 1 186 . 1 1 19 19 LEU HB3 H 1 1.37 0.02 . 2 . . . . 19 LEU HB3 . 6538 1 187 . 1 1 19 19 LEU HG H 1 0.92 0.02 . 1 . . . . 19 LEU HG . 6538 1 188 . 1 1 19 19 LEU HD11 H 1 0.08 0.02 . 2 . . . . 19 LEU HD1 . 6538 1 189 . 1 1 19 19 LEU HD12 H 1 0.08 0.02 . 2 . . . . 19 LEU HD1 . 6538 1 190 . 1 1 19 19 LEU HD13 H 1 0.08 0.02 . 2 . . . . 19 LEU HD1 . 6538 1 191 . 1 1 19 19 LEU HD21 H 1 0.30 0.02 . 2 . . . . 19 LEU HD2 . 6538 1 192 . 1 1 19 19 LEU HD22 H 1 0.30 0.02 . 2 . . . . 19 LEU HD2 . 6538 1 193 . 1 1 19 19 LEU HD23 H 1 0.30 0.02 . 2 . . . . 19 LEU HD2 . 6538 1 194 . 1 1 19 19 LEU C C 13 173.34 0.1 . 1 . . . . 19 LEU C . 6538 1 195 . 1 1 19 19 LEU CA C 13 52.94 0.1 . 1 . . . . 19 LEU CA . 6538 1 196 . 1 1 19 19 LEU CB C 13 39.59 0.1 . 1 . . . . 19 LEU CB . 6538 1 197 . 1 1 19 19 LEU CG C 13 26.37 0.1 . 1 . . . . 19 LEU CG . 6538 1 198 . 1 1 19 19 LEU CD1 C 13 25.76 0.1 . 1 . . . . 19 LEU CD1 . 6538 1 199 . 1 1 19 19 LEU CD2 C 13 23.89 0.1 . 1 . . . . 19 LEU CD2 . 6538 1 200 . 1 1 19 19 LEU N N 15 126.20 0.1 . 1 . . . . 19 LEU N . 6538 1 201 . 1 1 20 20 ARG H H 1 8.27 0.02 . 1 . . . . 20 ARG H . 6538 1 202 . 1 1 20 20 ARG HA H 1 4.77 0.02 . 1 . . . . 20 ARG HA . 6538 1 203 . 1 1 20 20 ARG HB2 H 1 1.37 0.02 . 2 . . . . 20 ARG HB2 . 6538 1 204 . 1 1 20 20 ARG HB3 H 1 1.82 0.02 . 2 . . . . 20 ARG HB3 . 6538 1 205 . 1 1 20 20 ARG HG2 H 1 1.43 0.02 . 2 . . . . 20 ARG HG2 . 6538 1 206 . 1 1 20 20 ARG HD2 H 1 3.07 0.02 . 2 . . . . 20 ARG HD2 . 6538 1 207 . 1 1 20 20 ARG HD3 H 1 3.12 0.02 . 2 . . . . 20 ARG HD3 . 6538 1 208 . 1 1 20 20 ARG CA C 13 52.24 0.1 . 1 . . . . 20 ARG CA . 6538 1 209 . 1 1 20 20 ARG CB C 13 32.32 0.1 . 1 . . . . 20 ARG CB . 6538 1 210 . 1 1 20 20 ARG CG C 13 27.60 0.1 . 1 . . . . 20 ARG CG . 6538 1 211 . 1 1 20 20 ARG CD C 13 43.29 0.1 . 1 . . . . 20 ARG CD . 6538 1 212 . 1 1 20 20 ARG N N 15 123.19 0.1 . 1 . . . . 20 ARG N . 6538 1 213 . 1 1 21 21 PRO HA H 1 5.00 0.02 . 1 . . . . 21 PRO HA . 6538 1 214 . 1 1 21 21 PRO HB2 H 1 1.99 0.02 . 2 . . . . 21 PRO HB2 . 6538 1 215 . 1 1 21 21 PRO HB3 H 1 2.07 0.02 . 2 . . . . 21 PRO HB3 . 6538 1 216 . 1 1 21 21 PRO HG2 H 1 2.08 0.02 . 2 . . . . 21 PRO HG2 . 6538 1 217 . 1 1 21 21 PRO HG3 H 1 2.34 0.02 . 2 . . . . 21 PRO HG3 . 6538 1 218 . 1 1 21 21 PRO HD2 H 1 3.81 0.02 . 2 . . . . 21 PRO HD2 . 6538 1 219 . 1 1 21 21 PRO HD3 H 1 4.08 0.02 . 2 . . . . 21 PRO HD3 . 6538 1 220 . 1 1 21 21 PRO C C 13 174.74 0.1 . 1 . . . . 21 PRO C . 6538 1 221 . 1 1 21 21 PRO CA C 13 62.04 0.1 . 1 . . . . 21 PRO CA . 6538 1 222 . 1 1 21 21 PRO CB C 13 33.57 0.1 . 1 . . . . 21 PRO CB . 6538 1 223 . 1 1 21 21 PRO CG C 13 27.46 0.1 . 1 . . . . 21 PRO CG . 6538 1 224 . 1 1 21 21 PRO CD C 13 50.71 0.1 . 1 . . . . 21 PRO CD . 6538 1 225 . 1 1 22 22 SER H H 1 8.53 0.02 . 1 . . . . 22 SER H . 6538 1 226 . 1 1 22 22 SER HA H 1 4.62 0.02 . 1 . . . . 22 SER HA . 6538 1 227 . 1 1 22 22 SER HB2 H 1 3.80 0.02 . 2 . . . . 22 SER HB2 . 6538 1 228 . 1 1 22 22 SER C C 13 173.19 0.1 . 1 . . . . 22 SER C . 6538 1 229 . 1 1 22 22 SER CA C 13 56.75 0.1 . 1 . . . . 22 SER CA . 6538 1 230 . 1 1 22 22 SER CB C 13 65.78 0.1 . 1 . . . . 22 SER CB . 6538 1 231 . 1 1 22 22 SER N N 15 115.60 0.1 . 1 . . . . 22 SER N . 6538 1 232 . 1 1 23 23 ASN H H 1 8.85 0.02 . 1 . . . . 23 ASN H . 6538 1 233 . 1 1 23 23 ASN HA H 1 4.30 0.02 . 1 . . . . 23 ASN HA . 6538 1 234 . 1 1 23 23 ASN HB2 H 1 2.75 0.02 . 2 . . . . 23 ASN HB2 . 6538 1 235 . 1 1 23 23 ASN C C 13 174.55 0.1 . 1 . . . . 23 ASN C . 6538 1 236 . 1 1 23 23 ASN CA C 13 54.23 0.1 . 1 . . . . 23 ASN CA . 6538 1 237 . 1 1 23 23 ASN CB C 13 37.37 0.1 . 1 . . . . 23 ASN CB . 6538 1 238 . 1 1 23 23 ASN N N 15 117.68 0.1 . 1 . . . . 23 ASN N . 6538 1 239 . 1 1 24 24 ILE H H 1 8.04 0.02 . 1 . . . . 24 ILE H . 6538 1 240 . 1 1 24 24 ILE HA H 1 4.64 0.02 . 1 . . . . 24 ILE HA . 6538 1 241 . 1 1 24 24 ILE HB H 1 1.64 0.02 . 1 . . . . 24 ILE HB . 6538 1 242 . 1 1 24 24 ILE HG12 H 1 0.84 0.02 . 2 . . . . 24 ILE HG12 . 6538 1 243 . 1 1 24 24 ILE HG13 H 1 1.08 0.02 . 2 . . . . 24 ILE HG13 . 6538 1 244 . 1 1 24 24 ILE HG21 H 1 0.72 0.02 . 1 . . . . 24 ILE HG2 . 6538 1 245 . 1 1 24 24 ILE HG22 H 1 0.72 0.02 . 1 . . . . 24 ILE HG2 . 6538 1 246 . 1 1 24 24 ILE HG23 H 1 0.72 0.02 . 1 . . . . 24 ILE HG2 . 6538 1 247 . 1 1 24 24 ILE HD11 H 1 0.46 0.02 . 1 . . . . 24 ILE HD1 . 6538 1 248 . 1 1 24 24 ILE HD12 H 1 0.46 0.02 . 1 . . . . 24 ILE HD1 . 6538 1 249 . 1 1 24 24 ILE HD13 H 1 0.46 0.02 . 1 . . . . 24 ILE HD1 . 6538 1 250 . 1 1 24 24 ILE CA C 13 59.50 0.1 . 1 . . . . 24 ILE CA . 6538 1 251 . 1 1 24 24 ILE CB C 13 41.45 0.1 . 1 . . . . 24 ILE CB . 6538 1 252 . 1 1 24 24 ILE CG1 C 13 25.80 0.1 . 1 . . . . 24 ILE CG1 . 6538 1 253 . 1 1 24 24 ILE CG2 C 13 19.25 0.1 . 1 . . . . 24 ILE CG2 . 6538 1 254 . 1 1 24 24 ILE CD1 C 13 14.64 0.1 . 1 . . . . 24 ILE CD1 . 6538 1 255 . 1 1 24 24 ILE N N 15 113.28 0.1 . 1 . . . . 24 ILE N . 6538 1 256 . 1 1 25 25 GLN HA H 1 4.50 0.02 . 1 . . . . 25 GLN HA . 6538 1 257 . 1 1 25 25 GLN HB2 H 1 1.89 0.02 . 2 . . . . 25 GLN HB2 . 6538 1 258 . 1 1 25 25 GLN HB3 H 1 2.02 0.02 . 2 . . . . 25 GLN HB3 . 6538 1 259 . 1 1 25 25 GLN HG2 H 1 2.34 0.02 . 2 . . . . 25 GLN HG2 . 6538 1 260 . 1 1 25 25 GLN C C 13 174.73 0.1 . 1 . . . . 25 GLN C . 6538 1 261 . 1 1 25 25 GLN CA C 13 54.84 0.1 . 1 . . . . 25 GLN CA . 6538 1 262 . 1 1 25 25 GLN CB C 13 30.79 0.1 . 1 . . . . 25 GLN CB . 6538 1 263 . 1 1 25 25 GLN CG C 13 33.88 0.1 . 1 . . . . 25 GLN CG . 6538 1 264 . 1 1 26 26 THR H H 1 7.96 0.02 . 1 . . . . 26 THR H . 6538 1 265 . 1 1 26 26 THR HA H 1 4.54 0.02 . 1 . . . . 26 THR HA . 6538 1 266 . 1 1 26 26 THR HB H 1 4.18 0.02 . 1 . . . . 26 THR HB . 6538 1 267 . 1 1 26 26 THR HG21 H 1 0.57 0.02 . 1 . . . . 26 THR HG2 . 6538 1 268 . 1 1 26 26 THR HG22 H 1 0.57 0.02 . 1 . . . . 26 THR HG2 . 6538 1 269 . 1 1 26 26 THR HG23 H 1 0.57 0.02 . 1 . . . . 26 THR HG2 . 6538 1 270 . 1 1 26 26 THR C C 13 174.67 0.1 . 1 . . . . 26 THR C . 6538 1 271 . 1 1 26 26 THR CA C 13 61.12 0.1 . 1 . . . . 26 THR CA . 6538 1 272 . 1 1 26 26 THR CB C 13 69.79 0.1 . 1 . . . . 26 THR CB . 6538 1 273 . 1 1 26 26 THR CG2 C 13 20.88 0.1 . 1 . . . . 26 THR CG2 . 6538 1 274 . 1 1 26 26 THR N N 15 108.84 0.1 . 1 . . . . 26 THR N . 6538 1 275 . 1 1 27 27 LYS H H 1 7.80 0.02 . 1 . . . . 27 LYS H . 6538 1 276 . 1 1 27 27 LYS HA H 1 4.55 0.02 . 1 . . . . 27 LYS HA . 6538 1 277 . 1 1 27 27 LYS HB2 H 1 1.81 0.02 . 2 . . . . 27 LYS HB2 . 6538 1 278 . 1 1 27 27 LYS HG2 H 1 1.38 0.02 . 2 . . . . 27 LYS HG2 . 6538 1 279 . 1 1 27 27 LYS HD2 H 1 1.68 0.02 . 2 . . . . 27 LYS HD2 . 6538 1 280 . 1 1 27 27 LYS HD3 H 1 1.75 0.02 . 2 . . . . 27 LYS HD3 . 6538 1 281 . 1 1 27 27 LYS HE2 H 1 2.97 0.02 . 2 . . . . 27 LYS HE2 . 6538 1 282 . 1 1 27 27 LYS C C 13 175.33 0.1 . 1 . . . . 27 LYS C . 6538 1 283 . 1 1 27 27 LYS CA C 13 55.61 0.1 . 1 . . . . 27 LYS CA . 6538 1 284 . 1 1 27 27 LYS CB C 13 33.43 0.1 . 1 . . . . 27 LYS CB . 6538 1 285 . 1 1 27 27 LYS CG C 13 24.66 0.1 . 1 . . . . 27 LYS CG . 6538 1 286 . 1 1 27 27 LYS CD C 13 29.16 0.1 . 1 . . . . 27 LYS CD . 6538 1 287 . 1 1 27 27 LYS CE C 13 42.18 0.1 . 1 . . . . 27 LYS CE . 6538 1 288 . 1 1 27 27 LYS N N 15 123.69 0.1 . 1 . . . . 27 LYS N . 6538 1 289 . 1 1 28 28 ASP H H 1 9.04 0.02 . 1 . . . . 28 ASP H . 6538 1 290 . 1 1 28 28 ASP HA H 1 4.40 0.02 . 1 . . . . 28 ASP HA . 6538 1 291 . 1 1 28 28 ASP HB2 H 1 2.78 0.02 . 2 . . . . 28 ASP HB2 . 6538 1 292 . 1 1 28 28 ASP HB3 H 1 2.91 0.02 . 2 . . . . 28 ASP HB3 . 6538 1 293 . 1 1 28 28 ASP C C 13 175.08 0.1 . 1 . . . . 28 ASP C . 6538 1 294 . 1 1 28 28 ASP CA C 13 55.49 0.1 . 1 . . . . 28 ASP CA . 6538 1 295 . 1 1 28 28 ASP CB C 13 39.23 0.1 . 1 . . . . 28 ASP CB . 6538 1 296 . 1 1 28 28 ASP N N 15 123.04 0.1 . 1 . . . . 28 ASP N . 6538 1 297 . 1 1 29 29 VAL H H 1 7.43 0.02 . 1 . . . . 29 VAL H . 6538 1 298 . 1 1 29 29 VAL HA H 1 5.06 0.02 . 1 . . . . 29 VAL HA . 6538 1 299 . 1 1 29 29 VAL HB H 1 2.10 0.02 . 1 . . . . 29 VAL HB . 6538 1 300 . 1 1 29 29 VAL HG11 H 1 0.70 0.02 . 2 . . . . 29 VAL HG1 . 6538 1 301 . 1 1 29 29 VAL HG12 H 1 0.70 0.02 . 2 . . . . 29 VAL HG1 . 6538 1 302 . 1 1 29 29 VAL HG13 H 1 0.70 0.02 . 2 . . . . 29 VAL HG1 . 6538 1 303 . 1 1 29 29 VAL C C 13 174.81 0.1 . 1 . . . . 29 VAL C . 6538 1 304 . 1 1 29 29 VAL CA C 13 58.81 0.1 . 1 . . . . 29 VAL CA . 6538 1 305 . 1 1 29 29 VAL CB C 13 35.54 0.1 . 1 . . . . 29 VAL CB . 6538 1 306 . 1 1 29 29 VAL CG1 C 13 21.40 0.1 . 2 . . . . 29 VAL CG1 . 6538 1 307 . 1 1 29 29 VAL N N 15 108.51 0.1 . 1 . . . . 29 VAL N . 6538 1 308 . 1 1 30 30 SER H H 1 8.84 0.02 . 1 . . . . 30 SER H . 6538 1 309 . 1 1 30 30 SER HA H 1 4.43 0.02 . 1 . . . . 30 SER HA . 6538 1 310 . 1 1 30 30 SER HB2 H 1 3.43 0.02 . 2 . . . . 30 SER HB2 . 6538 1 311 . 1 1 30 30 SER C C 13 173.10 0.1 . 1 . . . . 30 SER C . 6538 1 312 . 1 1 30 30 SER CA C 13 56.80 0.1 . 1 . . . . 30 SER CA . 6538 1 313 . 1 1 30 30 SER CB C 13 64.99 0.1 . 1 . . . . 30 SER CB . 6538 1 314 . 1 1 30 30 SER N N 15 116.42 0.1 . 1 . . . . 30 SER N . 6538 1 315 . 1 1 31 31 VAL H H 1 7.71 0.02 . 1 . . . . 31 VAL H . 6538 1 316 . 1 1 31 31 VAL HA H 1 4.88 0.02 . 1 . . . . 31 VAL HA . 6538 1 317 . 1 1 31 31 VAL HB H 1 1.64 0.02 . 1 . . . . 31 VAL HB . 6538 1 318 . 1 1 31 31 VAL HG11 H 1 0.22 0.02 . 2 . . . . 31 VAL HG1 . 6538 1 319 . 1 1 31 31 VAL HG12 H 1 0.22 0.02 . 2 . . . . 31 VAL HG1 . 6538 1 320 . 1 1 31 31 VAL HG13 H 1 0.22 0.02 . 2 . . . . 31 VAL HG1 . 6538 1 321 . 1 1 31 31 VAL HG21 H 1 0.26 0.02 . 2 . . . . 31 VAL HG2 . 6538 1 322 . 1 1 31 31 VAL HG22 H 1 0.26 0.02 . 2 . . . . 31 VAL HG2 . 6538 1 323 . 1 1 31 31 VAL HG23 H 1 0.26 0.02 . 2 . . . . 31 VAL HG2 . 6538 1 324 . 1 1 31 31 VAL C C 13 174.29 0.1 . 1 . . . . 31 VAL C . 6538 1 325 . 1 1 31 31 VAL CA C 13 59.91 0.1 . 1 . . . . 31 VAL CA . 6538 1 326 . 1 1 31 31 VAL CB C 13 35.82 0.1 . 1 . . . . 31 VAL CB . 6538 1 327 . 1 1 31 31 VAL CG1 C 13 20.46 0.1 . 1 . . . . 31 VAL CG1 . 6538 1 328 . 1 1 31 31 VAL CG2 C 13 21.37 0.1 . 1 . . . . 31 VAL CG2 . 6538 1 329 . 1 1 31 31 VAL N N 15 118.40 0.1 . 1 . . . . 31 VAL N . 6538 1 330 . 1 1 32 32 GLN H H 1 8.09 0.02 . 1 . . . . 32 GLN H . 6538 1 331 . 1 1 32 32 GLN HA H 1 5.05 0.02 . 1 . . . . 32 GLN HA . 6538 1 332 . 1 1 32 32 GLN HB2 H 1 1.96 0.02 . 2 . . . . 32 GLN HB2 . 6538 1 333 . 1 1 32 32 GLN HB3 H 1 2.10 0.02 . 2 . . . . 32 GLN HB3 . 6538 1 334 . 1 1 32 32 GLN HG2 H 1 2.36 0.02 . 2 . . . . 32 GLN HG2 . 6538 1 335 . 1 1 32 32 GLN C C 13 174.78 0.1 . 1 . . . . 32 GLN C . 6538 1 336 . 1 1 32 32 GLN CA C 13 55.08 0.1 . 1 . . . . 32 GLN CA . 6538 1 337 . 1 1 32 32 GLN CB C 13 34.51 0.1 . 1 . . . . 32 GLN CB . 6538 1 338 . 1 1 32 32 GLN CG C 13 34.88 0.1 . 1 . . . . 32 GLN CG . 6538 1 339 . 1 1 32 32 GLN N N 15 120.66 0.1 . 1 . . . . 32 GLN N . 6538 1 340 . 1 1 33 33 TRP H H 1 8.53 0.02 . 1 . . . . 33 TRP H . 6538 1 341 . 1 1 33 33 TRP HA H 1 5.73 0.02 . 1 . . . . 33 TRP HA . 6538 1 342 . 1 1 33 33 TRP HB2 H 1 2.78 0.02 . 2 . . . . 33 TRP HB2 . 6538 1 343 . 1 1 33 33 TRP HB3 H 1 3.04 0.02 . 2 . . . . 33 TRP HB3 . 6538 1 344 . 1 1 33 33 TRP HD1 H 1 6.67 0.02 . 1 . . . . 33 TRP HD1 . 6538 1 345 . 1 1 33 33 TRP HE1 H 1 10.27 0.02 . 1 . . . . 33 TRP HE1 . 6538 1 346 . 1 1 33 33 TRP HE3 H 1 7.55 0.02 . 1 . . . . 33 TRP HE3 . 6538 1 347 . 1 1 33 33 TRP HZ2 H 1 7.73 0.02 . 1 . . . . 33 TRP HZ2 . 6538 1 348 . 1 1 33 33 TRP HZ3 H 1 6.79 0.02 . 1 . . . . 33 TRP HZ3 . 6538 1 349 . 1 1 33 33 TRP HH2 H 1 6.54 0.02 . 1 . . . . 33 TRP HH2 . 6538 1 350 . 1 1 33 33 TRP C C 13 176.92 0.1 . 1 . . . . 33 TRP C . 6538 1 351 . 1 1 33 33 TRP CA C 13 56.76 0.1 . 1 . . . . 33 TRP CA . 6538 1 352 . 1 1 33 33 TRP CB C 13 33.82 0.1 . 1 . . . . 33 TRP CB . 6538 1 353 . 1 1 33 33 TRP CD1 C 13 123.33 0.1 . 1 . . . . 33 TRP CD1 . 6538 1 354 . 1 1 33 33 TRP CE3 C 13 120.0 0.1 . 1 . . . . 33 TRP CE3 . 6538 1 355 . 1 1 33 33 TRP CZ2 C 13 116.26 0.1 . 1 . . . . 33 TRP CZ2 . 6538 1 356 . 1 1 33 33 TRP CZ3 C 13 121.67 0.1 . 1 . . . . 33 TRP CZ3 . 6538 1 357 . 1 1 33 33 TRP CH2 C 13 126.25 0.1 . 1 . . . . 33 TRP CH2 . 6538 1 358 . 1 1 33 33 TRP N N 15 121.84 0.1 . 1 . . . . 33 TRP N . 6538 1 359 . 1 1 34 34 LYS H H 1 9.94 0.02 . 1 . . . . 34 LYS H . 6538 1 360 . 1 1 34 34 LYS HA H 1 5.29 0.02 . 1 . . . . 34 LYS HA . 6538 1 361 . 1 1 34 34 LYS HB2 H 1 1.63 0.02 . 2 . . . . 34 LYS HB2 . 6538 1 362 . 1 1 34 34 LYS HB3 H 1 1.80 0.02 . 2 . . . . 34 LYS HB3 . 6538 1 363 . 1 1 34 34 LYS HG2 H 1 1.36 0.02 . 2 . . . . 34 LYS HG2 . 6538 1 364 . 1 1 34 34 LYS HD2 H 1 1.44 0.02 . 2 . . . . 34 LYS HD2 . 6538 1 365 . 1 1 34 34 LYS HD3 H 1 1.36 0.02 . 2 . . . . 34 LYS HD3 . 6538 1 366 . 1 1 34 34 LYS HE2 H 1 2.66 0.02 . 2 . . . . 34 LYS HE2 . 6538 1 367 . 1 1 34 34 LYS HE3 H 1 2.86 0.02 . 2 . . . . 34 LYS HE3 . 6538 1 368 . 1 1 34 34 LYS C C 13 173.89 0.1 . 1 . . . . 34 LYS C . 6538 1 369 . 1 1 34 34 LYS CA C 13 54.86 0.1 . 1 . . . . 34 LYS CA . 6538 1 370 . 1 1 34 34 LYS CB C 13 38.40 0.1 . 1 . . . . 34 LYS CB . 6538 1 371 . 1 1 34 34 LYS CG C 13 25.92 0.1 . 1 . . . . 34 LYS CG . 6538 1 372 . 1 1 34 34 LYS CD C 13 30.22 0.1 . 1 . . . . 34 LYS CD . 6538 1 373 . 1 1 34 34 LYS CE C 13 42.34 0.1 . 1 . . . . 34 LYS CE . 6538 1 374 . 1 1 34 34 LYS N N 15 123.12 0.1 . 1 . . . . 34 LYS N . 6538 1 375 . 1 1 35 35 LYS H H 1 9.03 0.02 . 1 . . . . 35 LYS H . 6538 1 376 . 1 1 35 35 LYS HA H 1 5.04 0.02 . 1 . . . . 35 LYS HA . 6538 1 377 . 1 1 35 35 LYS HB2 H 1 1.28 0.02 . 2 . . . . 35 LYS HB2 . 6538 1 378 . 1 1 35 35 LYS HB3 H 1 1.34 0.02 . 2 . . . . 35 LYS HB3 . 6538 1 379 . 1 1 35 35 LYS HG2 H 1 0.48 0.02 . 2 . . . . 35 LYS HG2 . 6538 1 380 . 1 1 35 35 LYS HG3 H 1 1.07 0.02 . 2 . . . . 35 LYS HG3 . 6538 1 381 . 1 1 35 35 LYS HD2 H 1 1.39 0.02 . 2 . . . . 35 LYS HD2 . 6538 1 382 . 1 1 35 35 LYS HE2 H 1 2.72 0.02 . 2 . . . . 35 LYS HE2 . 6538 1 383 . 1 1 35 35 LYS HE3 H 1 2.69 0.02 . 2 . . . . 35 LYS HE3 . 6538 1 384 . 1 1 35 35 LYS C C 13 175.05 0.1 . 1 . . . . 35 LYS C . 6538 1 385 . 1 1 35 35 LYS CA C 13 54.29 0.1 . 1 . . . . 35 LYS CA . 6538 1 386 . 1 1 35 35 LYS CB C 13 36.15 0.1 . 1 . . . . 35 LYS CB . 6538 1 387 . 1 1 35 35 LYS CG C 13 24.60 0.1 . 1 . . . . 35 LYS CG . 6538 1 388 . 1 1 35 35 LYS CD C 13 29.36 0.1 . 1 . . . . 35 LYS CD . 6538 1 389 . 1 1 35 35 LYS CE C 13 42.85 0.1 . 1 . . . . 35 LYS CE . 6538 1 390 . 1 1 35 35 LYS N N 15 119.23 0.1 . 1 . . . . 35 LYS N . 6538 1 391 . 1 1 36 36 THR H H 1 8.63 0.02 . 1 . . . . 36 THR H . 6538 1 392 . 1 1 36 36 THR HA H 1 4.65 0.02 . 1 . . . . 36 THR HA . 6538 1 393 . 1 1 36 36 THR HB H 1 4.18 0.02 . 1 . . . . 36 THR HB . 6538 1 394 . 1 1 36 36 THR HG21 H 1 1.13 0.02 . 1 . . . . 36 THR HG2 . 6538 1 395 . 1 1 36 36 THR HG22 H 1 1.13 0.02 . 1 . . . . 36 THR HG2 . 6538 1 396 . 1 1 36 36 THR HG23 H 1 1.13 0.02 . 1 . . . . 36 THR HG2 . 6538 1 397 . 1 1 36 36 THR C C 13 174.92 0.1 . 1 . . . . 36 THR C . 6538 1 398 . 1 1 36 36 THR CA C 13 62.22 0.1 . 1 . . . . 36 THR CA . 6538 1 399 . 1 1 36 36 THR CB C 13 68.66 0.1 . 1 . . . . 36 THR CB . 6538 1 400 . 1 1 36 36 THR CG2 C 13 22.27 0.1 . 1 . . . . 36 THR CG2 . 6538 1 401 . 1 1 36 36 THR N N 15 120.47 0.1 . 1 . . . . 36 THR N . 6538 1 402 . 1 1 37 37 GLU H H 1 9.12 0.02 . 1 . . . . 37 GLU H . 6538 1 403 . 1 1 37 37 GLU HA H 1 4.26 0.02 . 1 . . . . 37 GLU HA . 6538 1 404 . 1 1 37 37 GLU HB2 H 1 1.88 0.02 . 2 . . . . 37 GLU HB2 . 6538 1 405 . 1 1 37 37 GLU HB3 H 1 2.12 0.02 . 2 . . . . 37 GLU HB3 . 6538 1 406 . 1 1 37 37 GLU HG2 H 1 2.27 0.02 . 2 . . . . 37 GLU HG2 . 6538 1 407 . 1 1 37 37 GLU HG3 H 1 2.34 0.02 . 2 . . . . 37 GLU HG3 . 6538 1 408 . 1 1 37 37 GLU C C 13 176.10 0.1 . 1 . . . . 37 GLU C . 6538 1 409 . 1 1 37 37 GLU CA C 13 56.40 0.1 . 1 . . . . 37 GLU CA . 6538 1 410 . 1 1 37 37 GLU CB C 13 30.96 0.1 . 1 . . . . 37 GLU CB . 6538 1 411 . 1 1 37 37 GLU CG C 13 36.83 0.1 . 1 . . . . 37 GLU CG . 6538 1 412 . 1 1 37 37 GLU N N 15 129.36 0.1 . 1 . . . . 37 GLU N . 6538 1 413 . 1 1 38 38 GLN H H 1 8.77 0.02 . 1 . . . . 38 GLN H . 6538 1 414 . 1 1 38 38 GLN HA H 1 4.10 0.02 . 1 . . . . 38 GLN HA . 6538 1 415 . 1 1 38 38 GLN HB2 H 1 2.07 0.02 . 2 . . . . 38 GLN HB2 . 6538 1 416 . 1 1 38 38 GLN HG2 H 1 2.46 0.02 . 2 . . . . 38 GLN HG2 . 6538 1 417 . 1 1 38 38 GLN CA C 13 57.45 0.02 . 1 . . . . 38 GLN CA . 6538 1 418 . 1 1 38 38 GLN CB C 13 28.72 0.02 . 1 . . . . 38 GLN CB . 6538 1 419 . 1 1 38 38 GLN CG C 13 33.85 0.02 . 1 . . . . 38 GLN CG . 6538 1 420 . 1 1 38 38 GLN N N 15 125.33 0.1 . 1 . . . . 38 GLN N . 6538 1 421 . 1 1 39 39 GLY H H 1 8.36 0.02 . 1 . . . . 39 GLY H . 6538 1 422 . 1 1 39 39 GLY HA2 H 1 3.62 0.02 . 2 . . . . 39 GLY HA2 . 6538 1 423 . 1 1 39 39 GLY HA3 H 1 4.17 0.02 . 2 . . . . 39 GLY HA3 . 6538 1 424 . 1 1 39 39 GLY C C 13 174.24 0.1 . 1 . . . . 39 GLY C . 6538 1 425 . 1 1 39 39 GLY CA C 13 46.20 0.1 . 1 . . . . 39 GLY CA . 6538 1 426 . 1 1 39 39 GLY N N 15 107.53 0.1 . 1 . . . . 39 GLY N . 6538 1 427 . 1 1 40 40 SER H H 1 7.95 0.02 . 1 . . . . 40 SER H . 6538 1 428 . 1 1 40 40 SER HA H 1 4.50 0.02 . 1 . . . . 40 SER HA . 6538 1 429 . 1 1 40 40 SER HB2 H 1 3.81 0.02 . 2 . . . . 40 SER HB2 . 6538 1 430 . 1 1 40 40 SER HB3 H 1 3.91 0.02 . 2 . . . . 40 SER HB3 . 6538 1 431 . 1 1 40 40 SER C C 13 173.63 0.1 . 1 . . . . 40 SER C . 6538 1 432 . 1 1 40 40 SER CA C 13 56.79 0.1 . 1 . . . . 40 SER CA . 6538 1 433 . 1 1 40 40 SER CB C 13 64.67 0.1 . 1 . . . . 40 SER CB . 6538 1 434 . 1 1 40 40 SER N N 15 115.98 0.1 . 1 . . . . 40 SER N . 6538 1 435 . 1 1 41 41 HIS H H 1 8.76 0.02 . 1 . . . . 41 HIS H . 6538 1 436 . 1 1 41 41 HIS HA H 1 4.55 0.02 . 1 . . . . 41 HIS HA . 6538 1 437 . 1 1 41 41 HIS HB2 H 1 3.20 0.02 . 2 . . . . 41 HIS HB2 . 6538 1 438 . 1 1 41 41 HIS HB3 H 1 3.25 0.02 . 2 . . . . 41 HIS HB3 . 6538 1 439 . 1 1 41 41 HIS HD2 H 1 7.02 0.02 . 1 . . . . 41 HIS HD2 . 6538 1 440 . 1 1 41 41 HIS C C 13 175.27 0.1 . 1 . . . . 41 HIS C . 6538 1 441 . 1 1 41 41 HIS CA C 13 56.62 0.1 . 1 . . . . 41 HIS CA . 6538 1 442 . 1 1 41 41 HIS CB C 13 29.46 0.1 . 1 . . . . 41 HIS CB . 6538 1 443 . 1 1 41 41 HIS CD2 C 13 119.38 0.1 . 1 . . . . 41 HIS CD2 . 6538 1 444 . 1 1 41 41 HIS N N 15 120.25 0.1 . 1 . . . . 41 HIS N . 6538 1 445 . 1 1 42 42 ARG H H 1 8.11 0.02 . 1 . . . . 42 ARG H . 6538 1 446 . 1 1 42 42 ARG HA H 1 4.23 0.02 . 1 . . . . 42 ARG HA . 6538 1 447 . 1 1 42 42 ARG HB2 H 1 1.72 0.02 . 2 . . . . 42 ARG HB2 . 6538 1 448 . 1 1 42 42 ARG HG2 H 1 1.50 0.02 . 2 . . . . 42 ARG HG2 . 6538 1 449 . 1 1 42 42 ARG HG3 H 1 1.56 0.02 . 2 . . . . 42 ARG HG3 . 6538 1 450 . 1 1 42 42 ARG HD2 H 1 3.20 0.02 . 2 . . . . 42 ARG HD2 . 6538 1 451 . 1 1 42 42 ARG C C 13 175.34 0.1 . 1 . . . . 42 ARG C . 6538 1 452 . 1 1 42 42 ARG CA C 13 56.69 0.1 . 1 . . . . 42 ARG CA . 6538 1 453 . 1 1 42 42 ARG CB C 13 31.34 0.1 . 1 . . . . 42 ARG CB . 6538 1 454 . 1 1 42 42 ARG CG C 13 27.39 0.1 . 1 . . . . 42 ARG CG . 6538 1 455 . 1 1 42 42 ARG CD C 13 43.53 0.1 . 1 . . . . 42 ARG CD . 6538 1 456 . 1 1 42 42 ARG N N 15 121.65 0.1 . 1 . . . . 42 ARG N . 6538 1 457 . 1 1 43 43 LYS H H 1 8.61 0.02 . 1 . . . . 43 LYS H . 6538 1 458 . 1 1 43 43 LYS HA H 1 4.80 0.02 . 1 . . . . 43 LYS HA . 6538 1 459 . 1 1 43 43 LYS HB2 H 1 1.49 0.02 . 2 . . . . 43 LYS HB2 . 6538 1 460 . 1 1 43 43 LYS HB3 H 1 1.84 0.02 . 2 . . . . 43 LYS HB3 . 6538 1 461 . 1 1 43 43 LYS HG2 H 1 1.40 0.02 . 2 . . . . 43 LYS HG2 . 6538 1 462 . 1 1 43 43 LYS HD2 H 1 1.58 0.02 . 2 . . . . 43 LYS HD2 . 6538 1 463 . 1 1 43 43 LYS HE2 H 1 2.94 0.02 . 2 . . . . 43 LYS HE2 . 6538 1 464 . 1 1 43 43 LYS C C 13 176.21 0.1 . 1 . . . . 43 LYS C . 6538 1 465 . 1 1 43 43 LYS CA C 13 55.42 0.1 . 1 . . . . 43 LYS CA . 6538 1 466 . 1 1 43 43 LYS CB C 13 33.83 0.1 . 1 . . . . 43 LYS CB . 6538 1 467 . 1 1 43 43 LYS CG C 13 25.10 0.1 . 1 . . . . 43 LYS CG . 6538 1 468 . 1 1 43 43 LYS CD C 13 29.86 0.1 . 1 . . . . 43 LYS CD . 6538 1 469 . 1 1 43 43 LYS CE C 13 42.08 0.1 . 1 . . . . 43 LYS CE . 6538 1 470 . 1 1 43 43 LYS N N 15 123.41 0.1 . 1 . . . . 43 LYS N . 6538 1 471 . 1 1 44 44 ILE H H 1 9.39 0.02 . 1 . . . . 44 ILE H . 6538 1 472 . 1 1 44 44 ILE HA H 1 4.31 0.02 . 1 . . . . 44 ILE HA . 6538 1 473 . 1 1 44 44 ILE HB H 1 1.88 0.02 . 1 . . . . 44 ILE HB . 6538 1 474 . 1 1 44 44 ILE HG12 H 1 1.17 0.02 . 2 . . . . 44 ILE HG12 . 6538 1 475 . 1 1 44 44 ILE HG13 H 1 1.50 0.02 . 2 . . . . 44 ILE HG13 . 6538 1 476 . 1 1 44 44 ILE HG21 H 1 1.00 0.02 . 1 . . . . 44 ILE HG2 . 6538 1 477 . 1 1 44 44 ILE HG22 H 1 1.00 0.02 . 1 . . . . 44 ILE HG2 . 6538 1 478 . 1 1 44 44 ILE HG23 H 1 1.00 0.02 . 1 . . . . 44 ILE HG2 . 6538 1 479 . 1 1 44 44 ILE HD11 H 1 0.85 0.02 . 1 . . . . 44 ILE HD1 . 6538 1 480 . 1 1 44 44 ILE HD12 H 1 0.85 0.02 . 1 . . . . 44 ILE HD1 . 6538 1 481 . 1 1 44 44 ILE HD13 H 1 0.85 0.02 . 1 . . . . 44 ILE HD1 . 6538 1 482 . 1 1 44 44 ILE C C 13 175.96 0.1 . 1 . . . . 44 ILE C . 6538 1 483 . 1 1 44 44 ILE CA C 13 59.82 0.1 . 1 . . . . 44 ILE CA . 6538 1 484 . 1 1 44 44 ILE CB C 13 40.00 0.1 . 1 . . . . 44 ILE CB . 6538 1 485 . 1 1 44 44 ILE CG1 C 13 27.30 0.1 . 1 . . . . 44 ILE CG1 . 6538 1 486 . 1 1 44 44 ILE CG2 C 13 17.00 0.1 . 1 . . . . 44 ILE CG2 . 6538 1 487 . 1 1 44 44 ILE CD1 C 13 13.23 0.1 . 1 . . . . 44 ILE CD1 . 6538 1 488 . 1 1 44 44 ILE N N 15 125.24 0.1 . 1 . . . . 44 ILE N . 6538 1 489 . 1 1 45 45 GLU H H 1 8.76 0.02 . 1 . . . . 45 GLU H . 6538 1 490 . 1 1 45 45 GLU HA H 1 4.23 0.02 . 1 . . . . 45 GLU HA . 6538 1 491 . 1 1 45 45 GLU HB2 H 1 2.07 0.02 . 2 . . . . 45 GLU HB2 . 6538 1 492 . 1 1 45 45 GLU HB3 H 1 2.11 0.02 . 2 . . . . 45 GLU HB3 . 6538 1 493 . 1 1 45 45 GLU HG2 H 1 2.25 0.2 . 2 . . . . 45 GLU HG2 . 6538 1 494 . 1 1 45 45 GLU C C 13 176.00 0.1 . 1 . . . . 45 GLU C . 6538 1 495 . 1 1 45 45 GLU CA C 13 57.75 0.1 . 1 . . . . 45 GLU CA . 6538 1 496 . 1 1 45 45 GLU CB C 13 30.47 0.1 . 1 . . . . 45 GLU CB . 6538 1 497 . 1 1 45 45 GLU CG C 13 37.07 0.1 . 1 . . . . 45 GLU CG . 6538 1 498 . 1 1 45 45 GLU N N 15 126.77 0.1 . 1 . . . . 45 GLU N . 6538 1 499 . 1 1 46 46 ILE H H 1 8.90 0.02 . 1 . . . . 46 ILE H . 6538 1 500 . 1 1 46 46 ILE HA H 1 4.54 0.02 . 1 . . . . 46 ILE HA . 6538 1 501 . 1 1 46 46 ILE HB H 1 1.43 0.02 . 1 . . . . 46 ILE HB . 6538 1 502 . 1 1 46 46 ILE HG12 H 1 0.60 0.02 . 2 . . . . 46 ILE HG12 . 6538 1 503 . 1 1 46 46 ILE HG13 H 1 1.53 0.02 . 2 . . . . 46 ILE HG13 . 6538 1 504 . 1 1 46 46 ILE HG21 H 1 0.53 0.02 . 1 . . . . 46 ILE HG2 . 6538 1 505 . 1 1 46 46 ILE HG22 H 1 0.53 0.02 . 1 . . . . 46 ILE HG2 . 6538 1 506 . 1 1 46 46 ILE HG23 H 1 0.53 0.02 . 1 . . . . 46 ILE HG2 . 6538 1 507 . 1 1 46 46 ILE HD11 H 1 0.46 0.02 . 1 . . . . 46 ILE HD1 . 6538 1 508 . 1 1 46 46 ILE HD12 H 1 0.46 0.02 . 1 . . . . 46 ILE HD1 . 6538 1 509 . 1 1 46 46 ILE HD13 H 1 0.46 0.02 . 1 . . . . 46 ILE HD1 . 6538 1 510 . 1 1 46 46 ILE C C 13 175.25 0.1 . 1 . . . . 46 ILE C . 6538 1 511 . 1 1 46 46 ILE CA C 13 63.14 0.1 . 1 . . . . 46 ILE CA . 6538 1 512 . 1 1 46 46 ILE CB C 13 39.92 0.1 . 1 . . . . 46 ILE CB . 6538 1 513 . 1 1 46 46 ILE CG1 C 13 27.43 0.1 . 1 . . . . 46 ILE CG1 . 6538 1 514 . 1 1 46 46 ILE CG2 C 13 17.50 0.1 . 1 . . . . 46 ILE CG2 . 6538 1 515 . 1 1 46 46 ILE CD1 C 13 13.44 0.1 . 1 . . . . 46 ILE CD1 . 6538 1 516 . 1 1 46 46 ILE N N 15 124.35 0.1 . 1 . . . . 46 ILE N . 6538 1 517 . 1 1 47 47 LEU H H 1 7.58 0.02 . 1 . . . . 47 LEU H . 6538 1 518 . 1 1 47 47 LEU HA H 1 4.95 0.02 . 1 . . . . 47 LEU HA . 6538 1 519 . 1 1 47 47 LEU HB2 H 1 0.99 0.02 . 2 . . . . 47 LEU HB2 . 6538 1 520 . 1 1 47 47 LEU HB3 H 1 1.22 0.02 . 2 . . . . 47 LEU HB3 . 6538 1 521 . 1 1 47 47 LEU HG H 1 1.00 0.02 . 1 . . . . 47 LEU HG . 6538 1 522 . 1 1 47 47 LEU HD11 H 1 0.58 0.02 . 2 . . . . 47 LEU HD1 . 6538 1 523 . 1 1 47 47 LEU HD12 H 1 0.58 0.02 . 2 . . . . 47 LEU HD1 . 6538 1 524 . 1 1 47 47 LEU HD13 H 1 0.58 0.02 . 2 . . . . 47 LEU HD1 . 6538 1 525 . 1 1 47 47 LEU HD21 H 1 0.27 0.02 . 2 . . . . 47 LEU HD2 . 6538 1 526 . 1 1 47 47 LEU HD22 H 1 0.27 0.02 . 2 . . . . 47 LEU HD2 . 6538 1 527 . 1 1 47 47 LEU HD23 H 1 0.27 0.02 . 2 . . . . 47 LEU HD2 . 6538 1 528 . 1 1 47 47 LEU C C 13 174.23 0.1 . 1 . . . . 47 LEU C . 6538 1 529 . 1 1 47 47 LEU CA C 13 54.18 0.1 . 1 . . . . 47 LEU CA . 6538 1 530 . 1 1 47 47 LEU CB C 13 44.95 0.1 . 1 . . . . 47 LEU CB . 6538 1 531 . 1 1 47 47 LEU CG C 13 25.80 0.1 . 1 . . . . 47 LEU CG . 6538 1 532 . 1 1 47 47 LEU CD1 C 13 24.15 0.1 . 1 . . . . 47 LEU CD1 . 6538 1 533 . 1 1 47 47 LEU CD2 C 13 25.80 0.1 . 1 . . . . 47 LEU CD2 . 6538 1 534 . 1 1 47 47 LEU N N 15 116.42 0.1 . 1 . . . . 47 LEU N . 6538 1 535 . 1 1 48 48 ASN H H 1 8.42 0.02 . 1 . . . . 48 ASN H . 6538 1 536 . 1 1 48 48 ASN HA H 1 5.30 0.02 . 1 . . . . 48 ASN HA . 6538 1 537 . 1 1 48 48 ASN HB2 H 1 2.55 0.02 . 2 . . . . 48 ASN HB2 . 6538 1 538 . 1 1 48 48 ASN C C 13 172.91 0.1 . 1 . . . . 48 ASN C . 6538 1 539 . 1 1 48 48 ASN CA C 13 52.02 0.1 . 1 . . . . 48 ASN CA . 6538 1 540 . 1 1 48 48 ASN CB C 13 42.55 0.1 . 1 . . . . 48 ASN CB . 6538 1 541 . 1 1 48 48 ASN N N 15 121.05 0.1 . 1 . . . . 48 ASN N . 6538 1 542 . 1 1 49 49 TRP H H 1 8.87 0.02 . 1 . . . . 49 TRP H . 6538 1 543 . 1 1 49 49 TRP HA H 1 4.71 0.02 . 1 . . . . 49 TRP HA . 6538 1 544 . 1 1 49 49 TRP HB2 H 1 2.55 0.02 . 2 . . . . 49 TRP HB2 . 6538 1 545 . 1 1 49 49 TRP HB3 H 1 2.92 0.02 . 2 . . . . 49 TRP HB3 . 6538 1 546 . 1 1 49 49 TRP HD1 H 1 6.80 0.02 . 1 . . . . 49 TRP HD1 . 6538 1 547 . 1 1 49 49 TRP HE1 H 1 10.07 0.02 . 1 . . . . 49 TRP HE1 . 6538 1 548 . 1 1 49 49 TRP HE3 H 1 7.24 0.02 . 1 . . . . 49 TRP HE3 . 6538 1 549 . 1 1 49 49 TRP HZ2 H 1 7.49 0.02 . 1 . . . . 49 TRP HZ2 . 6538 1 550 . 1 1 49 49 TRP HZ3 H 1 6.66 0.02 . 1 . . . . 49 TRP HZ3 . 6538 1 551 . 1 1 49 49 TRP HH2 H 1 7.42 0.02 . 1 . . . . 49 TRP HH2 . 6538 1 552 . 1 1 49 49 TRP C C 13 173.90 0.02 . 1 . . . . 49 TRP C . 6538 1 553 . 1 1 49 49 TRP CA C 13 56.89 0.02 . 1 . . . . 49 TRP CA . 6538 1 554 . 1 1 49 49 TRP CB C 13 31.39 0.02 . 1 . . . . 49 TRP CB . 6538 1 555 . 1 1 49 49 TRP CD1 C 13 125.41 0.1 . 1 . . . . 49 TRP CD1 . 6538 1 556 . 1 1 49 49 TRP CE3 C 13 120.0 0.1 . 1 . . . . 49 TRP CE3 . 6538 1 557 . 1 1 49 49 TRP CZ2 C 13 114.59 0.1 . 1 . . . . 49 TRP CZ2 . 6538 1 558 . 1 1 49 49 TRP CZ3 C 13 122.08 0.1 . 1 . . . . 49 TRP CZ3 . 6538 1 559 . 1 1 49 49 TRP CH2 C 13 125.21 0.1 . 1 . . . . 49 TRP CH2 . 6538 1 560 . 1 1 49 49 TRP N N 15 123.47 0.1 . 1 . . . . 49 TRP N . 6538 1 561 . 1 1 50 50 TYR H H 1 8.24 0.02 . 1 . . . . 50 TYR H . 6538 1 562 . 1 1 50 50 TYR HA H 1 4.47 0.02 . 1 . . . . 50 TYR HA . 6538 1 563 . 1 1 50 50 TYR HB2 H 1 2.82 0.02 . 2 . . . . 50 TYR HB2 . 6538 1 564 . 1 1 50 50 TYR HB3 H 1 2.89 0.02 . 2 . . . . 50 TYR HB3 . 6538 1 565 . 1 1 50 50 TYR HD1 H 1 7.02 0.02 . 3 . . . . 50 TYR HD1 . 6538 1 566 . 1 1 50 50 TYR HE1 H 1 6.69 0.02 . 3 . . . . 50 TYR HE1 . 6538 1 567 . 1 1 50 50 TYR C C 13 174.52 0.1 . 1 . . . . 50 TYR C . 6538 1 568 . 1 1 50 50 TYR CA C 13 56.79 0.1 . 1 . . . . 50 TYR CA . 6538 1 569 . 1 1 50 50 TYR CB C 13 39.30 0.1 . 1 . . . . 50 TYR CB . 6538 1 570 . 1 1 50 50 TYR CD1 C 13 133.30 0.1 . 3 . . . . 50 TYR CD1 . 6538 1 571 . 1 1 50 50 TYR CE1 C 13 117.90 0.1 . 3 . . . . 50 TYR CE1 . 6538 1 572 . 1 1 50 50 TYR N N 15 126.62 0.1 . 1 . . . . 50 TYR N . 6538 1 573 . 1 1 51 51 ASN H H 1 7.54 0.02 . 1 . . . . 51 ASN H . 6538 1 574 . 1 1 51 51 ASN HA H 1 4.17 0.02 . 1 . . . . 51 ASN HA . 6538 1 575 . 1 1 51 51 ASN HB2 H 1 2.48 0.02 . 2 . . . . 51 ASN HB2 . 6538 1 576 . 1 1 51 51 ASN HB3 H 1 2.64 0.02 . 2 . . . . 51 ASN HB3 . 6538 1 577 . 1 1 51 51 ASN C C 13 174.26 0.1 . 1 . . . . 51 ASN C . 6538 1 578 . 1 1 51 51 ASN CA C 13 54.41 0.1 . 1 . . . . 51 ASN CA . 6538 1 579 . 1 1 51 51 ASN CB C 13 38.52 0.1 . 1 . . . . 51 ASN CB . 6538 1 580 . 1 1 51 51 ASN N N 15 118.10 0.1 . 1 . . . . 51 ASN N . 6538 1 581 . 1 1 52 52 ASP H H 1 8.31 0.02 . 1 . . . . 52 ASP H . 6538 1 582 . 1 1 52 52 ASP HA H 1 4.47 0.02 . 1 . . . . 52 ASP HA . 6538 1 583 . 1 1 52 52 ASP HB2 H 1 2.61 0.02 . 2 . . . . 52 ASP HB2 . 6538 1 584 . 1 1 52 52 ASP HB3 H 1 2.80 0.02 . 2 . . . . 52 ASP HB3 . 6538 1 585 . 1 1 52 52 ASP C C 13 175.39 0.1 . 1 . . . . 52 ASP C . 6538 1 586 . 1 1 52 52 ASP CA C 13 54.80 0.1 . 1 . . . . 52 ASP CA . 6538 1 587 . 1 1 52 52 ASP CB C 13 40.45 0.1 . 1 . . . . 52 ASP CB . 6538 1 588 . 1 1 52 52 ASP N N 15 117.22 0.1 . 1 . . . . 52 ASP N . 6538 1 589 . 1 1 53 53 GLY H H 1 7.60 0.02 . 1 . . . . 53 GLY H . 6538 1 590 . 1 1 53 53 GLY HA2 H 1 3.89 0.02 . 2 . . . . 53 GLY HA2 . 6538 1 591 . 1 1 53 53 GLY CA C 13 44.34 0.1 . 1 . . . . 53 GLY CA . 6538 1 592 . 1 1 53 53 GLY N N 15 108.00 0.1 . 1 . . . . 53 GLY N . 6538 1 593 . 1 1 54 54 PRO HA H 1 4.40 0.02 . 1 . . . . 54 PRO HA . 6538 1 594 . 1 1 54 54 PRO HB2 H 1 1.08 0.02 . 2 . . . . 54 PRO HB2 . 6538 1 595 . 1 1 54 54 PRO HB3 H 1 1.39 0.02 . 2 . . . . 54 PRO HB3 . 6538 1 596 . 1 1 54 54 PRO HG2 H 1 1.62 0.02 . 2 . . . . 54 PRO HG2 . 6538 1 597 . 1 1 54 54 PRO HG3 H 1 1.91 0.02 . 2 . . . . 54 PRO HG3 . 6538 1 598 . 1 1 54 54 PRO HD2 H 1 3.20 0.02 . 2 . . . . 54 PRO HD2 . 6538 1 599 . 1 1 54 54 PRO HD3 H 1 3.63 0.02 . 2 . . . . 54 PRO HD3 . 6538 1 600 . 1 1 54 54 PRO C C 13 176.38 0.1 . 1 . . . . 54 PRO C . 6538 1 601 . 1 1 54 54 PRO CA C 13 62.50 0.1 . 1 . . . . 54 PRO CA . 6538 1 602 . 1 1 54 54 PRO CB C 13 32.08 0.1 . 1 . . . . 54 PRO CB . 6538 1 603 . 1 1 54 54 PRO CG C 13 26.58 0.1 . 1 . . . . 54 PRO CG . 6538 1 604 . 1 1 54 54 PRO CD C 13 49.28 0.1 . 1 . . . . 54 PRO CD . 6538 1 605 . 1 1 55 55 SER H H 1 8.66 0.02 . 1 . . . . 55 SER H . 6538 1 606 . 1 1 55 55 SER HA H 1 4.63 0.02 . 1 . . . . 55 SER HA . 6538 1 607 . 1 1 55 55 SER HB2 H 1 3.71 0.02 . 2 . . . . 55 SER HB2 . 6538 1 608 . 1 1 55 55 SER C C 13 174.41 0.1 . 1 . . . . 55 SER C . 6538 1 609 . 1 1 55 55 SER CA C 13 56.64 0.1 . 1 . . . . 55 SER CA . 6538 1 610 . 1 1 55 55 SER CB C 13 63.93 0.1 . 1 . . . . 55 SER CB . 6538 1 611 . 1 1 55 55 SER N N 15 117.30 0.1 . 1 . . . . 55 SER N . 6538 1 612 . 1 1 56 56 TRP H H 1 8.54 0.02 . 1 . . . . 56 TRP H . 6538 1 613 . 1 1 56 56 TRP HA H 1 4.95 0.02 . 1 . . . . 56 TRP HA . 6538 1 614 . 1 1 56 56 TRP HB2 H 1 3.10 0.02 . 2 . . . . 56 TRP HB2 . 6538 1 615 . 1 1 56 56 TRP HB3 H 1 3.53 0.02 . 2 . . . . 56 TRP HB3 . 6538 1 616 . 1 1 56 56 TRP HD1 H 1 7.47 0.02 . 1 . . . . 56 TRP HD1 . 6538 1 617 . 1 1 56 56 TRP HE1 H 1 10.37 0.02 . 1 . . . . 56 TRP HE1 . 6538 1 618 . 1 1 56 56 TRP HE3 H 1 7.90 0.02 . 1 . . . . 56 TRP HE3 . 6538 1 619 . 1 1 56 56 TRP HZ2 H 1 7.51 0.02 . 1 . . . . 56 TRP HZ2 . 6538 1 620 . 1 1 56 56 TRP HZ3 H 1 6.62 0.02 . 1 . . . . 56 TRP HZ3 . 6538 1 621 . 1 1 56 56 TRP HH2 H 1 6.63 0.02 . 1 . . . . 56 TRP HH2 . 6538 1 622 . 1 1 56 56 TRP C C 13 178.69 0.1 . 1 . . . . 56 TRP C . 6538 1 623 . 1 1 56 56 TRP CA C 13 56.86 0.1 . 1 . . . . 56 TRP CA . 6538 1 624 . 1 1 56 56 TRP CB C 13 31.36 0.1 . 1 . . . . 56 TRP CB . 6538 1 625 . 1 1 56 56 TRP CD1 C 13 127.70 0.1 . 1 . . . . 56 TRP CD1 . 6538 1 626 . 1 1 56 56 TRP CE3 C 13 120.40 0.1 . 1 . . . . 56 TRP CE3 . 6538 1 627 . 1 1 56 56 TRP CZ2 C 13 114.18 0.1 . 1 . . . . 56 TRP CZ2 . 6538 1 628 . 1 1 56 56 TRP CZ3 C 13 122.29 0.1 . 1 . . . . 56 TRP CZ3 . 6538 1 629 . 1 1 56 56 TRP CH2 C 13 124.79 0.1 . 1 . . . . 56 TRP CH2 . 6538 1 630 . 1 1 56 56 TRP N N 15 128.48 0.1 . 1 . . . . 56 TRP N . 6538 1 631 . 1 1 57 57 SER H H 1 8.89 0.02 . 1 . . . . 57 SER H . 6538 1 632 . 1 1 57 57 SER HA H 1 4.19 0.02 . 1 . . . . 57 SER HA . 6538 1 633 . 1 1 57 57 SER HB2 H 1 3.83 0.02 . 2 . . . . 57 SER HB2 . 6538 1 634 . 1 1 57 57 SER C C 13 173.49 0.1 . 1 . . . . 57 SER C . 6538 1 635 . 1 1 57 57 SER CA C 13 61.22 0.1 . 1 . . . . 57 SER CA . 6538 1 636 . 1 1 57 57 SER CB C 13 63.20 0.1 . 1 . . . . 57 SER CB . 6538 1 637 . 1 1 57 57 SER N N 15 119.17 0.1 . 1 . . . . 57 SER N . 6538 1 638 . 1 1 58 58 ASN H H 1 6.86 0.02 . 1 . . . . 58 ASN H . 6538 1 639 . 1 1 58 58 ASN HA H 1 4.68 0.02 . 1 . . . . 58 ASN HA . 6538 1 640 . 1 1 58 58 ASN HB2 H 1 1.22 0.02 . 2 . . . . 58 ASN HB2 . 6538 1 641 . 1 1 58 58 ASN HB3 H 1 2.03 0.02 . 2 . . . . 58 ASN HB3 . 6538 1 642 . 1 1 58 58 ASN C C 13 176.07 0.1 . 1 . . . . 58 ASN C . 6538 1 643 . 1 1 58 58 ASN CA C 13 51.69 0.1 . 1 . . . . 58 ASN CA . 6538 1 644 . 1 1 58 58 ASN CB C 13 40.58 0.1 . 1 . . . . 58 ASN CB . 6538 1 645 . 1 1 58 58 ASN N N 15 115.59 0.1 . 1 . . . . 58 ASN N . 6538 1 646 . 1 1 59 59 VAL H H 1 8.77 0.02 . 1 . . . . 59 VAL H . 6538 1 647 . 1 1 59 59 VAL HA H 1 3.91 0.02 . 1 . . . . 59 VAL HA . 6538 1 648 . 1 1 59 59 VAL HB H 1 2.18 0.02 . 1 . . . . 59 VAL HB . 6538 1 649 . 1 1 59 59 VAL HG11 H 1 1.00 0.02 . 2 . . . . 59 VAL HG1 . 6538 1 650 . 1 1 59 59 VAL HG12 H 1 1.00 0.02 . 2 . . . . 59 VAL HG1 . 6538 1 651 . 1 1 59 59 VAL HG13 H 1 1.00 0.02 . 2 . . . . 59 VAL HG1 . 6538 1 652 . 1 1 59 59 VAL C C 13 177.53 0.1 . 1 . . . . 59 VAL C . 6538 1 653 . 1 1 59 59 VAL CA C 13 65.22 0.1 . 1 . . . . 59 VAL CA . 6538 1 654 . 1 1 59 59 VAL CB C 13 31.68 0.1 . 1 . . . . 59 VAL CB . 6538 1 655 . 1 1 59 59 VAL CG1 C 13 20.53 0.1 . 2 . . . . 59 VAL CG1 . 6538 1 656 . 1 1 59 59 VAL N N 15 124.41 0.1 . 1 . . . . 59 VAL N . 6538 1 657 . 1 1 60 60 SER H H 1 8.46 0.02 . 1 . . . . 60 SER H . 6538 1 658 . 1 1 60 60 SER HA H 1 4.33 0.02 . 1 . . . . 60 SER HA . 6538 1 659 . 1 1 60 60 SER HB2 H 1 3.90 0.02 . 2 . . . . 60 SER HB2 . 6538 1 660 . 1 1 60 60 SER C C 13 176.94 0.1 . 1 . . . . 60 SER C . 6538 1 661 . 1 1 60 60 SER CA C 13 60.53 0.1 . 1 . . . . 60 SER CA . 6538 1 662 . 1 1 60 60 SER CB C 13 63.23 0.1 . 1 . . . . 60 SER CB . 6538 1 663 . 1 1 60 60 SER N N 15 117.30 0.1 . 1 . . . . 60 SER N . 6538 1 664 . 1 1 61 61 PHE H H 1 8.03 0.02 . 1 . . . . 61 PHE H . 6538 1 665 . 1 1 61 61 PHE HA H 1 4.55 0.02 . 1 . . . . 61 PHE HA . 6538 1 666 . 1 1 61 61 PHE HB2 H 1 3.54 0.02 . 2 . . . . 61 PHE HB2 . 6538 1 667 . 1 1 61 61 PHE HB3 H 1 3.64 0.02 . 2 . . . . 61 PHE HB3 . 6538 1 668 . 1 1 61 61 PHE HD1 H 1 7.68 0.02 . 3 . . . . 61 PHE HD1 . 6538 1 669 . 1 1 61 61 PHE HE1 H 1 7.76 0.02 . 3 . . . . 61 PHE HE1 . 6538 1 670 . 1 1 61 61 PHE HZ H 1 7.38 0.02 . 1 . . . . 61 PHE HZ . 6538 1 671 . 1 1 61 61 PHE C C 13 176.89 0.1 . 1 . . . . 61 PHE C . 6538 1 672 . 1 1 61 61 PHE CA C 13 56.73 0.1 . 1 . . . . 61 PHE CA . 6538 1 673 . 1 1 61 61 PHE CB C 13 37.21 0.1 . 1 . . . . 61 PHE CB . 6538 1 674 . 1 1 61 61 PHE CD1 C 13 129.82 0.1 . 1 . . . . 61 PHE CD1 . 6538 1 675 . 1 1 61 61 PHE CE1 C 13 132.30 0.1 . 1 . . . . 61 PHE CE1 . 6538 1 676 . 1 1 61 61 PHE CZ C 13 129.82 0.1 . 1 . . . . 61 PHE CZ . 6538 1 677 . 1 1 61 61 PHE N N 15 120.96 0.1 . 1 . . . . 61 PHE N . 6538 1 678 . 1 1 62 62 SER H H 1 7.38 0.02 . 1 . . . . 62 SER H . 6538 1 679 . 1 1 62 62 SER HA H 1 3.16 0.02 . 1 . . . . 62 SER HA . 6538 1 680 . 1 1 62 62 SER HB2 H 1 3.04 0.02 . 2 . . . . 62 SER HB2 . 6538 1 681 . 1 1 62 62 SER HB3 H 1 3.74 0.02 . 2 . . . . 62 SER HB3 . 6538 1 682 . 1 1 62 62 SER C C 13 174.26 0.1 . 1 . . . . 62 SER C . 6538 1 683 . 1 1 62 62 SER CA C 13 60.15 0.1 . 1 . . . . 62 SER CA . 6538 1 684 . 1 1 62 62 SER CB C 13 62.10 0.1 . 1 . . . . 62 SER CB . 6538 1 685 . 1 1 62 62 SER N N 15 113.97 0.1 . 1 . . . . 62 SER N . 6538 1 686 . 1 1 63 63 ASP H H 1 7.16 0.02 . 1 . . . . 63 ASP H . 6538 1 687 . 1 1 63 63 ASP HA H 1 4.63 0.02 . 1 . . . . 63 ASP HA . 6538 1 688 . 1 1 63 63 ASP HB2 H 1 2.64 0.02 . 2 . . . . 63 ASP HB2 . 6538 1 689 . 1 1 63 63 ASP C C 13 176.33 0.1 . 1 . . . . 63 ASP C . 6538 1 690 . 1 1 63 63 ASP CA C 13 55.29 0.1 . 1 . . . . 63 ASP CA . 6538 1 691 . 1 1 63 63 ASP CB C 13 41.74 0.1 . 1 . . . . 63 ASP CB . 6538 1 692 . 1 1 63 63 ASP N N 15 117.90 0.1 . 1 . . . . 63 ASP N . 6538 1 693 . 1 1 64 64 ILE H H 1 7.05 0.02 . 1 . . . . 64 ILE H . 6538 1 694 . 1 1 64 64 ILE HA H 1 3.80 0.02 . 1 . . . . 64 ILE HA . 6538 1 695 . 1 1 64 64 ILE HB H 1 1.23 0.02 . 1 . . . . 64 ILE HB . 6538 1 696 . 1 1 64 64 ILE HG12 H 1 0.89 0.02 . 2 . . . . 64 ILE HG12 . 6538 1 697 . 1 1 64 64 ILE HG13 H 1 1.17 0.02 . 2 . . . . 64 ILE HG13 . 6538 1 698 . 1 1 64 64 ILE HG21 H 1 0.09 0.02 . 1 . . . . 64 ILE HG2 . 6538 1 699 . 1 1 64 64 ILE HG22 H 1 0.09 0.02 . 1 . . . . 64 ILE HG2 . 6538 1 700 . 1 1 64 64 ILE HG23 H 1 0.09 0.02 . 1 . . . . 64 ILE HG2 . 6538 1 701 . 1 1 64 64 ILE HD11 H 1 0.69 0.02 . 1 . . . . 64 ILE HD1 . 6538 1 702 . 1 1 64 64 ILE HD12 H 1 0.69 0.02 . 1 . . . . 64 ILE HD1 . 6538 1 703 . 1 1 64 64 ILE HD13 H 1 0.69 0.02 . 1 . . . . 64 ILE HD1 . 6538 1 704 . 1 1 64 64 ILE C C 13 175.47 0.1 . 1 . . . . 64 ILE C . 6538 1 705 . 1 1 64 64 ILE CA C 13 62.12 0.1 . 1 . . . . 64 ILE CA . 6538 1 706 . 1 1 64 64 ILE CB C 13 41.00 0.1 . 1 . . . . 64 ILE CB . 6538 1 707 . 1 1 64 64 ILE CG1 C 13 27.08 0.1 . 1 . . . . 64 ILE CG1 . 6538 1 708 . 1 1 64 64 ILE CG2 C 13 16.36 0.1 . 1 . . . . 64 ILE CG2 . 6538 1 709 . 1 1 64 64 ILE CD1 C 13 13.07 0.1 . 1 . . . . 64 ILE CD1 . 6538 1 710 . 1 1 64 64 ILE N N 15 117.44 0.1 . 1 . . . . 64 ILE N . 6538 1 711 . 1 1 65 65 TYR H H 1 7.88 0.02 . 1 . . . . 65 TYR H . 6538 1 712 . 1 1 65 65 TYR HA H 1 5.62 0.02 . 1 . . . . 65 TYR HA . 6538 1 713 . 1 1 65 65 TYR HB2 H 1 2.55 0.02 . 2 . . . . 65 TYR HB2 . 6538 1 714 . 1 1 65 65 TYR HB3 H 1 3.18 0.02 . 2 . . . . 65 TYR HB3 . 6538 1 715 . 1 1 65 65 TYR HD1 H 1 6.96 0.02 . 3 . . . . 65 TYR HD1 . 6538 1 716 . 1 1 65 65 TYR HE1 H 1 6.00 0.02 . 3 . . . . 65 TYR HE1 . 6538 1 717 . 1 1 65 65 TYR C C 13 174.65 0.1 . 1 . . . . 65 TYR C . 6538 1 718 . 1 1 65 65 TYR CA C 13 55.40 0.1 . 1 . . . . 65 TYR CA . 6538 1 719 . 1 1 65 65 TYR CB C 13 42.47 0.1 . 1 . . . . 65 TYR CB . 6538 1 720 . 1 1 65 65 TYR CD1 C 13 133.79 0.1 . 3 . . . . 65 TYR CD1 . 6538 1 721 . 1 1 65 65 TYR CE1 C 13 117.00 0.1 . 3 . . . . 65 TYR CE1 . 6538 1 722 . 1 1 65 65 TYR N N 15 120.40 0.1 . 1 . . . . 65 TYR N . 6538 1 723 . 1 1 66 66 GLY H H 1 8.84 0.02 . 1 . . . . 66 GLY H . 6538 1 724 . 1 1 66 66 GLY HA2 H 1 3.67 0.02 . 2 . . . . 66 GLY HA2 . 6538 1 725 . 1 1 66 66 GLY HA3 H 1 4.74 0.02 . 2 . . . . 66 GLY HA3 . 6538 1 726 . 1 1 66 66 GLY C C 13 171.96 0.1 . 1 . . . . 66 GLY C . 6538 1 727 . 1 1 66 66 GLY CA C 13 43.75 0.1 . 1 . . . . 66 GLY CA . 6538 1 728 . 1 1 66 66 GLY N N 15 105.26 0.1 . 1 . . . . 66 GLY N . 6538 1 729 . 1 1 67 67 PHE H H 1 8.71 0.02 . 1 . . . . 67 PHE H . 6538 1 730 . 1 1 67 67 PHE HA H 1 5.46 0.02 . 1 . . . . 67 PHE HA . 6538 1 731 . 1 1 67 67 PHE HB2 H 1 2.53 0.02 . 2 . . . . 67 PHE HB2 . 6538 1 732 . 1 1 67 67 PHE HB3 H 1 2.85 0.02 . 2 . . . . 67 PHE HB3 . 6538 1 733 . 1 1 67 67 PHE HD1 H 1 6.81 0.02 . 3 . . . . 67 PHE HD1 . 6538 1 734 . 1 1 67 67 PHE HE1 H 1 6.75 0.02 . 3 . . . . 67 PHE HE1 . 6538 1 735 . 1 1 67 67 PHE HZ H 1 6.83 0.02 . 1 . . . . 67 PHE HZ . 6538 1 736 . 1 1 67 67 PHE C C 13 172.83 0.1 . 1 . . . . 67 PHE C . 6538 1 737 . 1 1 67 67 PHE CA C 13 56.22 0.1 . 1 . . . . 67 PHE CA . 6538 1 738 . 1 1 67 67 PHE CB C 13 43.57 0.1 . 1 . . . . 67 PHE CB . 6538 1 739 . 1 1 67 67 PHE CD1 C 13 132.00 0.1 . 3 . . . . 67 PHE CD1 . 6538 1 740 . 1 1 67 67 PHE CE1 C 13 130.00 0.1 . 3 . . . . 67 PHE CE1 . 6538 1 741 . 1 1 67 67 PHE N N 15 120.90 0.1 . 1 . . . . 67 PHE N . 6538 1 742 . 1 1 68 68 ASP H H 1 7.51 0.02 . 1 . . . . 68 ASP H . 6538 1 743 . 1 1 68 68 ASP HA H 1 4.53 0.02 . 1 . . . . 68 ASP HA . 6538 1 744 . 1 1 68 68 ASP HB2 H 1 2.13 0.02 . 2 . . . . 68 ASP HB2 . 6538 1 745 . 1 1 68 68 ASP HB3 H 1 3.00 0.02 . 2 . . . . 68 ASP HB3 . 6538 1 746 . 1 1 68 68 ASP C C 13 174.77 0.1 . 1 . . . . 68 ASP C . 6538 1 747 . 1 1 68 68 ASP CA C 13 52.15 0.1 . 1 . . . . 68 ASP CA . 6538 1 748 . 1 1 68 68 ASP CB C 13 43.53 0.1 . 1 . . . . 68 ASP CB . 6538 1 749 . 1 1 68 68 ASP N N 15 129.49 0.1 . 1 . . . . 68 ASP N . 6538 1 750 . 1 1 69 69 TYR H H 1 7.97 0.02 . 1 . . . . 69 TYR H . 6538 1 751 . 1 1 69 69 TYR HA H 1 3.79 0.02 . 1 . . . . 69 TYR HA . 6538 1 752 . 1 1 69 69 TYR HB2 H 1 2.83 0.02 . 2 . . . . 69 TYR HB2 . 6538 1 753 . 1 1 69 69 TYR HB3 H 1 2.89 0.02 . 2 . . . . 69 TYR HB3 . 6538 1 754 . 1 1 69 69 TYR HD1 H 1 7.14 0.02 . 3 . . . . 69 TYR HD1 . 6538 1 755 . 1 1 69 69 TYR HE1 H 1 6.91 0.02 . 3 . . . . 69 TYR HE1 . 6538 1 756 . 1 1 69 69 TYR C C 13 175.32 0.1 . 1 . . . . 69 TYR C . 6538 1 757 . 1 1 69 69 TYR CA C 13 58.70 0.1 . 1 . . . . 69 TYR CA . 6538 1 758 . 1 1 69 69 TYR CB C 13 37.37 0.1 . 1 . . . . 69 TYR CB . 6538 1 759 . 1 1 69 69 TYR CD1 C 13 133.30 0.1 . 1 . . . . 69 TYR CD1 . 6538 1 760 . 1 1 69 69 TYR CE1 C 13 118.13 0.1 . 1 . . . . 69 TYR CE1 . 6538 1 761 . 1 1 69 69 TYR N N 15 122.92 0.1 . 1 . . . . 69 TYR N . 6538 1 762 . 1 1 70 70 GLY H H 1 8.54 0.02 . 1 . . . . 70 GLY H . 6538 1 763 . 1 1 70 70 GLY HA2 H 1 3.50 0.02 . 2 . . . . 70 GLY HA2 . 6538 1 764 . 1 1 70 70 GLY HA3 H 1 3.74 0.02 . 2 . . . . 70 GLY HA3 . 6538 1 765 . 1 1 70 70 GLY C C 13 174.81 0.1 . 1 . . . . 70 GLY C . 6538 1 766 . 1 1 70 70 GLY CA C 13 46.28 0.1 . 1 . . . . 70 GLY CA . 6538 1 767 . 1 1 70 70 GLY N N 15 106.82 0.1 . 1 . . . . 70 GLY N . 6538 1 768 . 1 1 71 71 ASP H H 1 7.24 0.02 . 1 . . . . 71 ASP H . 6538 1 769 . 1 1 71 71 ASP HA H 1 3.98 0.02 . 1 . . . . 71 ASP HA . 6538 1 770 . 1 1 71 71 ASP HB2 H 1 2.13 0.02 . 1 . . . . 71 ASP HB2 . 6538 1 771 . 1 1 71 71 ASP HB3 H 1 2.90 0.02 . 1 . . . . 71 ASP HB3 . 6538 1 772 . 1 1 71 71 ASP C C 13 173.92 0.1 . 1 . . . . 71 ASP C . 6538 1 773 . 1 1 71 71 ASP CA C 13 51.75 0.1 . 1 . . . . 71 ASP CA . 6538 1 774 . 1 1 71 71 ASP CB C 13 40.92 0.1 . 1 . . . . 71 ASP CB . 6538 1 775 . 1 1 71 71 ASP N N 15 118.09 0.1 . 1 . . . . 71 ASP N . 6538 1 776 . 1 1 72 72 PHE H H 1 7.46 0.02 . 1 . . . . 72 PHE H . 6538 1 777 . 1 1 72 72 PHE HA H 1 4.33 0.02 . 1 . . . . 72 PHE HA . 6538 1 778 . 1 1 72 72 PHE HB2 H 1 3.52 0.02 . 2 . . . . 72 PHE HB2 . 6538 1 779 . 1 1 72 72 PHE HD1 H 1 6.84 0.02 . 3 . . . . 72 PHE HD1 . 6538 1 780 . 1 1 72 72 PHE HE1 H 1 7.12 0.02 . 3 . . . . 72 PHE HE1 . 6538 1 781 . 1 1 72 72 PHE HZ H 1 7.02 0.02 . 1 . . . . 72 PHE HZ . 6538 1 782 . 1 1 72 72 PHE C C 13 174.81 0.1 . 1 . . . . 72 PHE C . 6538 1 783 . 1 1 72 72 PHE CA C 13 55.38 0.1 . 1 . . . . 72 PHE CA . 6538 1 784 . 1 1 72 72 PHE CB C 13 35.39 0.1 . 1 . . . . 72 PHE CB . 6538 1 785 . 1 1 72 72 PHE CD1 C 13 129.80 0.1 . 3 . . . . 72 PHE CD1 . 6538 1 786 . 1 1 72 72 PHE CE1 C 13 131.80 0.1 . 3 . . . . 72 PHE CE1 . 6538 1 787 . 1 1 72 72 PHE N N 15 110.53 0.1 . 1 . . . . 72 PHE N . 6538 1 788 . 1 1 73 73 ALA H H 1 8.01 0.02 . 1 . . . . 73 ALA H . 6538 1 789 . 1 1 73 73 ALA HA H 1 4.54 0.02 . 1 . . . . 73 ALA HA . 6538 1 790 . 1 1 73 73 ALA HB1 H 1 1.14 0.02 . 1 . . . . 73 ALA HB . 6538 1 791 . 1 1 73 73 ALA HB2 H 1 1.14 0.02 . 1 . . . . 73 ALA HB . 6538 1 792 . 1 1 73 73 ALA HB3 H 1 1.14 0.02 . 1 . . . . 73 ALA HB . 6538 1 793 . 1 1 73 73 ALA C C 13 177.50 0.1 . 1 . . . . 73 ALA C . 6538 1 794 . 1 1 73 73 ALA CA C 13 53.58 0.1 . 1 . . . . 73 ALA CA . 6538 1 795 . 1 1 73 73 ALA CB C 13 19.76 0.1 . 1 . . . . 73 ALA CB . 6538 1 796 . 1 1 73 73 ALA N N 15 119.72 0.1 . 1 . . . . 73 ALA N . 6538 1 797 . 1 1 74 74 LEU H H 1 7.60 0.02 . 1 . . . . 74 LEU H . 6538 1 798 . 1 1 74 74 LEU HA H 1 4.83 0.02 . 1 . . . . 74 LEU HA . 6538 1 799 . 1 1 74 74 LEU HB2 H 1 1.23 0.02 . 2 . . . . 74 LEU HB2 . 6538 1 800 . 1 1 74 74 LEU HG H 1 0.95 0.02 . 1 . . . . 74 LEU HG . 6538 1 801 . 1 1 74 74 LEU HD11 H 1 0.44 0.02 . 2 . . . . 74 LEU HD1 . 6538 1 802 . 1 1 74 74 LEU HD12 H 1 0.44 0.02 . 2 . . . . 74 LEU HD1 . 6538 1 803 . 1 1 74 74 LEU HD13 H 1 0.44 0.02 . 2 . . . . 74 LEU HD1 . 6538 1 804 . 1 1 74 74 LEU HD21 H 1 0.16 0.02 . 2 . . . . 74 LEU HD2 . 6538 1 805 . 1 1 74 74 LEU HD22 H 1 0.16 0.02 . 2 . . . . 74 LEU HD2 . 6538 1 806 . 1 1 74 74 LEU HD23 H 1 0.16 0.02 . 2 . . . . 74 LEU HD2 . 6538 1 807 . 1 1 74 74 LEU C C 13 175.31 0.02 . 1 . . . . 74 LEU C . 6538 1 808 . 1 1 74 74 LEU CA C 13 52.84 0.1 . 1 . . . . 74 LEU CA . 6538 1 809 . 1 1 74 74 LEU CB C 13 42.74 0.1 . 1 . . . . 74 LEU CB . 6538 1 810 . 1 1 74 74 LEU CG C 13 26.00 0.1 . 1 . . . . 74 LEU CG . 6538 1 811 . 1 1 74 74 LEU CD1 C 13 23.04 0.1 . 2 . . . . 74 LEU CD1 . 6538 1 812 . 1 1 74 74 LEU CD2 C 13 25.69 0.1 . 2 . . . . 74 LEU CD2 . 6538 1 813 . 1 1 74 74 LEU N N 15 125.89 0.1 . 1 . . . . 74 LEU N . 6538 1 814 . 1 1 75 75 SER H H 1 9.06 0.02 . 1 . . . . 75 SER H . 6538 1 815 . 1 1 75 75 SER HA H 1 5.16 0.02 . 1 . . . . 75 SER HA . 6538 1 816 . 1 1 75 75 SER HB2 H 1 3.45 0.02 . 2 . . . . 75 SER HB2 . 6538 1 817 . 1 1 75 75 SER HB3 H 1 3.50 0.02 . 2 . . . . 75 SER HB3 . 6538 1 818 . 1 1 75 75 SER C C 13 173.65 0.1 . 1 . . . . 75 SER C . 6538 1 819 . 1 1 75 75 SER CA C 13 56.08 0.1 . 1 . . . . 75 SER CA . 6538 1 820 . 1 1 75 75 SER CB C 13 64.87 0.1 . 1 . . . . 75 SER CB . 6538 1 821 . 1 1 75 75 SER N N 15 120.46 0.1 . 1 . . . . 75 SER N . 6538 1 822 . 1 1 76 76 ILE H H 1 8.86 0.02 . 1 . . . . 76 ILE H . 6538 1 823 . 1 1 76 76 ILE HA H 1 4.18 0.02 . 1 . . . . 76 ILE HA . 6538 1 824 . 1 1 76 76 ILE HB H 1 1.57 0.02 . 1 . . . . 76 ILE HB . 6538 1 825 . 1 1 76 76 ILE HG12 H 1 0.92 0.02 . 2 . . . . 76 ILE HG12 . 6538 1 826 . 1 1 76 76 ILE HG13 H 1 1.25 0.02 . 2 . . . . 76 ILE HG13 . 6538 1 827 . 1 1 76 76 ILE HG21 H 1 0.62 0.02 . 1 . . . . 76 ILE HG2 . 6538 1 828 . 1 1 76 76 ILE HG22 H 1 0.62 0.02 . 1 . . . . 76 ILE HG2 . 6538 1 829 . 1 1 76 76 ILE HG23 H 1 0.62 0.02 . 1 . . . . 76 ILE HG2 . 6538 1 830 . 1 1 76 76 ILE HD11 H 1 0.50 0.02 . 1 . . . . 76 ILE HD1 . 6538 1 831 . 1 1 76 76 ILE HD12 H 1 0.50 0.02 . 1 . . . . 76 ILE HD1 . 6538 1 832 . 1 1 76 76 ILE HD13 H 1 0.50 0.02 . 1 . . . . 76 ILE HD1 . 6538 1 833 . 1 1 76 76 ILE C C 13 175.95 0.1 . 1 . . . . 76 ILE C . 6538 1 834 . 1 1 76 76 ILE CA C 13 61.30 0.1 . 1 . . . . 76 ILE CA . 6538 1 835 . 1 1 76 76 ILE CB C 13 39.08 0.1 . 1 . . . . 76 ILE CB . 6538 1 836 . 1 1 76 76 ILE CG1 C 13 28.20 0.1 . 1 . . . . 76 ILE CG1 . 6538 1 837 . 1 1 76 76 ILE CG2 C 13 18.03 0.1 . 1 . . . . 76 ILE CG2 . 6538 1 838 . 1 1 76 76 ILE CD1 C 13 13.77 0.1 . 1 . . . . 76 ILE CD1 . 6538 1 839 . 1 1 76 76 ILE N N 15 124.15 0.1 . 1 . . . . 76 ILE N . 6538 1 840 . 1 1 77 77 LYS H H 1 7.59 0.02 . 1 . . . . 77 LYS H . 6538 1 841 . 1 1 77 77 LYS HA H 1 3.72 0.02 . 1 . . . . 77 LYS HA . 6538 1 842 . 1 1 77 77 LYS HB2 H 1 1.35 0.02 . 2 . . . . 77 LYS HB2 . 6538 1 843 . 1 1 77 77 LYS HB3 H 1 1.61 0.02 . 2 . . . . 77 LYS HB3 . 6538 1 844 . 1 1 77 77 LYS HG2 H 1 0.99 0.02 . 2 . . . . 77 LYS HG2 . 6538 1 845 . 1 1 77 77 LYS HG3 H 1 1.18 0.02 . 2 . . . . 77 LYS HG3 . 6538 1 846 . 1 1 77 77 LYS HD2 H 1 1.28 0.02 . 2 . . . . 77 LYS HD2 . 6538 1 847 . 1 1 77 77 LYS HD3 H 1 1.44 0.02 . 2 . . . . 77 LYS HD3 . 6538 1 848 . 1 1 77 77 LYS HE2 H 1 2.62 0.02 . 2 . . . . 77 LYS HE2 . 6538 1 849 . 1 1 77 77 LYS HE3 H 1 2.72 0.02 . 2 . . . . 77 LYS HE3 . 6538 1 850 . 1 1 77 77 LYS C C 13 177.14 0.1 . 1 . . . . 77 LYS C . 6538 1 851 . 1 1 77 77 LYS CA C 13 60.72 0.1 . 1 . . . . 77 LYS CA . 6538 1 852 . 1 1 77 77 LYS CB C 13 32.55 0.1 . 1 . . . . 77 LYS CB . 6538 1 853 . 1 1 77 77 LYS CG C 13 26.16 0.1 . 1 . . . . 77 LYS CG . 6538 1 854 . 1 1 77 77 LYS CD C 13 29.12 0.1 . 1 . . . . 77 LYS CD . 6538 1 855 . 1 1 77 77 LYS CE C 13 42.03 0.1 . 1 . . . . 77 LYS CE . 6538 1 856 . 1 1 77 77 LYS N N 15 125.50 0.1 . 1 . . . . 77 LYS N . 6538 1 857 . 1 1 78 78 SER H H 1 8.48 0.02 . 1 . . . . 78 SER H . 6538 1 858 . 1 1 78 78 SER HA H 1 3.60 0.02 . 1 . . . . 78 SER HA . 6538 1 859 . 1 1 78 78 SER HB2 H 1 3.31 0.02 . 2 . . . . 78 SER HB2 . 6538 1 860 . 1 1 78 78 SER C C 13 173.27 0.1 . 1 . . . . 78 SER C . 6538 1 861 . 1 1 78 78 SER CA C 13 56.92 0.1 . 1 . . . . 78 SER CA . 6538 1 862 . 1 1 78 78 SER CB C 13 61.89 0.1 . 1 . . . . 78 SER CB . 6538 1 863 . 1 1 78 78 SER N N 15 112.71 0.1 . 1 . . . . 78 SER N . 6538 1 864 . 1 1 79 79 ALA H H 1 8.12 0.02 . 1 . . . . 79 ALA H . 6538 1 865 . 1 1 79 79 ALA HA H 1 4.12 0.02 . 1 . . . . 79 ALA HA . 6538 1 866 . 1 1 79 79 ALA HB1 H 1 1.34 0.02 . 1 . . . . 79 ALA HB . 6538 1 867 . 1 1 79 79 ALA HB2 H 1 1.34 0.02 . 1 . . . . 79 ALA HB . 6538 1 868 . 1 1 79 79 ALA HB3 H 1 1.34 0.02 . 1 . . . . 79 ALA HB . 6538 1 869 . 1 1 79 79 ALA C C 13 176.96 0.1 . 1 . . . . 79 ALA C . 6538 1 870 . 1 1 79 79 ALA CA C 13 53.55 0.1 . 1 . . . . 79 ALA CA . 6538 1 871 . 1 1 79 79 ALA CB C 13 19.24 0.1 . 1 . . . . 79 ALA CB . 6538 1 872 . 1 1 79 79 ALA N N 15 128.73 0.1 . 1 . . . . 79 ALA N . 6538 1 873 . 1 1 80 80 LYS H H 1 9.56 0.02 . 1 . . . . 80 LYS H . 6538 1 874 . 1 1 80 80 LYS HA H 1 4.76 0.02 . 1 . . . . 80 LYS HA . 6538 1 875 . 1 1 80 80 LYS HB2 H 1 1.52 0.02 . 2 . . . . 80 LYS HB2 . 6538 1 876 . 1 1 80 80 LYS HB3 H 1 1.98 0.02 . 2 . . . . 80 LYS HB3 . 6538 1 877 . 1 1 80 80 LYS HG2 H 1 1.41 0.02 . 2 . . . . 80 LYS HG2 . 6538 1 878 . 1 1 80 80 LYS HG3 H 1 1.46 0.02 . 2 . . . . 80 LYS HG3 . 6538 1 879 . 1 1 80 80 LYS HD2 H 1 1.64 0.02 . 2 . . . . 80 LYS HD2 . 6538 1 880 . 1 1 80 80 LYS HD3 H 1 1.66 0.02 . 2 . . . . 80 LYS HD3 . 6538 1 881 . 1 1 80 80 LYS HE2 H 1 2.95 0.02 . 2 . . . . 80 LYS HE2 . 6538 1 882 . 1 1 80 80 LYS C C 13 177.60 0.1 . 1 . . . . 80 LYS C . 6538 1 883 . 1 1 80 80 LYS CA C 13 53.73 0.1 . 1 . . . . 80 LYS CA . 6538 1 884 . 1 1 80 80 LYS CB C 13 35.96 0.1 . 1 . . . . 80 LYS CB . 6538 1 885 . 1 1 80 80 LYS CG C 13 24.62 0.1 . 1 . . . . 80 LYS CG . 6538 1 886 . 1 1 80 80 LYS CD C 13 29.18 0.1 . 1 . . . . 80 LYS CD . 6538 1 887 . 1 1 80 80 LYS CE C 13 42.20 0.1 . 1 . . . . 80 LYS CE . 6538 1 888 . 1 1 80 80 LYS N N 15 122.56 0.1 . 1 . . . . 80 LYS N . 6538 1 889 . 1 1 81 81 LEU H H 1 8.85 0.02 . 1 . . . . 81 LEU H . 6538 1 890 . 1 1 81 81 LEU HA H 1 3.80 0.02 . 1 . . . . 81 LEU HA . 6538 1 891 . 1 1 81 81 LEU HB2 H 1 1.56 0.02 . 2 . . . . 81 LEU HB2 . 6538 1 892 . 1 1 81 81 LEU HB3 H 1 1.69 0.02 . 2 . . . . 81 LEU HB3 . 6538 1 893 . 1 1 81 81 LEU HG H 1 1.72 0.02 . 1 . . . . 81 LEU HG . 6538 1 894 . 1 1 81 81 LEU HD11 H 1 0.79 0.02 . 2 . . . . 81 LEU HD1 . 6538 1 895 . 1 1 81 81 LEU HD12 H 1 0.79 0.02 . 2 . . . . 81 LEU HD1 . 6538 1 896 . 1 1 81 81 LEU HD13 H 1 0.79 0.02 . 2 . . . . 81 LEU HD1 . 6538 1 897 . 1 1 81 81 LEU HD21 H 1 0.92 0.02 . 2 . . . . 81 LEU HD2 . 6538 1 898 . 1 1 81 81 LEU HD22 H 1 0.92 0.02 . 2 . . . . 81 LEU HD2 . 6538 1 899 . 1 1 81 81 LEU HD23 H 1 0.92 0.02 . 2 . . . . 81 LEU HD2 . 6538 1 900 . 1 1 81 81 LEU C C 13 180.48 0.1 . 1 . . . . 81 LEU C . 6538 1 901 . 1 1 81 81 LEU CA C 13 59.24 0.1 . 1 . . . . 81 LEU CA . 6538 1 902 . 1 1 81 81 LEU CB C 13 41.14 0.1 . 1 . . . . 81 LEU CB . 6538 1 903 . 1 1 81 81 LEU CG C 13 27.62 0.1 . 1 . . . . 81 LEU CG . 6538 1 904 . 1 1 81 81 LEU CD1 C 13 23.94 0.1 . 1 . . . . 81 LEU CD1 . 6538 1 905 . 1 1 81 81 LEU CD2 C 13 24.83 0.1 . 1 . . . . 81 LEU CD2 . 6538 1 906 . 1 1 81 81 LEU N N 15 123.44 0.1 . 1 . . . . 81 LEU N . 6538 1 907 . 1 1 82 82 GLN H H 1 8.55 0.02 . 1 . . . . 82 GLN H . 6538 1 908 . 1 1 82 82 GLN HA H 1 4.25 0.02 . 1 . . . . 82 GLN HA . 6538 1 909 . 1 1 82 82 GLN HB2 H 1 2.06 0.02 . 2 . . . . 82 GLN HB2 . 6538 1 910 . 1 1 82 82 GLN HB3 H 1 2.14 0.02 . 2 . . . . 82 GLN HB3 . 6538 1 911 . 1 1 82 82 GLN HG2 H 1 2.38 0.02 . 2 . . . . 82 GLN HG2 . 6538 1 912 . 1 1 82 82 GLN C C 13 176.03 0.1 . 1 . . . . 82 GLN C . 6538 1 913 . 1 1 82 82 GLN CA C 13 57.88 0.1 . 1 . . . . 82 GLN CA . 6538 1 914 . 1 1 82 82 GLN CB C 13 27.60 0.1 . 1 . . . . 82 GLN CB . 6538 1 915 . 1 1 82 82 GLN CG C 13 33.82 0.1 . 1 . . . . 82 GLN CG . 6538 1 916 . 1 1 82 82 GLN N N 15 114.42 0.1 . 1 . . . . 82 GLN N . 6538 1 917 . 1 1 83 83 ASP H H 1 8.25 0.02 . 1 . . . . 83 ASP H . 6538 1 918 . 1 1 83 83 ASP HA H 1 4.61 0.02 . 1 . . . . 83 ASP HA . 6538 1 919 . 1 1 83 83 ASP HB2 H 1 2.61 0.02 . 2 . . . . 83 ASP HB2 . 6538 1 920 . 1 1 83 83 ASP HB3 H 1 2.90 0.02 . 2 . . . . 83 ASP HB3 . 6538 1 921 . 1 1 83 83 ASP C C 13 177.39 0.1 . 1 . . . . 83 ASP C . 6538 1 922 . 1 1 83 83 ASP CA C 13 56.10 0.1 . 1 . . . . 83 ASP CA . 6538 1 923 . 1 1 83 83 ASP CB C 13 41.26 0.1 . 1 . . . . 83 ASP CB . 6538 1 924 . 1 1 83 83 ASP N N 15 117.93 0.1 . 1 . . . . 83 ASP N . 6538 1 925 . 1 1 84 84 SER H H 1 7.85 0.02 . 1 . . . . 84 SER H . 6538 1 926 . 1 1 84 84 SER HA H 1 4.28 0.02 . 1 . . . . 84 SER HA . 6538 1 927 . 1 1 84 84 SER HB2 H 1 4.06 0.02 . 2 . . . . 84 SER HB2 . 6538 1 928 . 1 1 84 84 SER HB3 H 1 4.21 0.02 . 2 . . . . 84 SER HB3 . 6538 1 929 . 1 1 84 84 SER C C 13 172.78 0.1 . 1 . . . . 84 SER C . 6538 1 930 . 1 1 84 84 SER CA C 13 60.64 0.1 . 1 . . . . 84 SER CA . 6538 1 931 . 1 1 84 84 SER CB C 13 64.15 0.1 . 1 . . . . 84 SER CB . 6538 1 932 . 1 1 84 84 SER N N 15 117.83 0.1 . 1 . . . . 84 SER N . 6538 1 933 . 1 1 85 85 GLY H H 1 9.24 0.02 . 1 . . . . 85 GLY H . 6538 1 934 . 1 1 85 85 GLY HA2 H 1 3.89 0.02 . 2 . . . . 85 GLY HA2 . 6538 1 935 . 1 1 85 85 GLY HA3 H 1 4.68 0.02 . 2 . . . . 85 GLY HA3 . 6538 1 936 . 1 1 85 85 GLY C C 13 171.10 0.1 . 1 . . . . 85 GLY C . 6538 1 937 . 1 1 85 85 GLY CA C 13 44.79 0.1 . 1 . . . . 85 GLY CA . 6538 1 938 . 1 1 85 85 GLY N N 15 111.23 0.1 . 1 . . . . 85 GLY N . 6538 1 939 . 1 1 86 86 HIS H H 1 8.49 0.02 . 1 . . . . 86 HIS H . 6538 1 940 . 1 1 86 86 HIS HA H 1 5.54 0.02 . 1 . . . . 86 HIS HA . 6538 1 941 . 1 1 86 86 HIS HB2 H 1 3.06 0.02 . 2 . . . . 86 HIS HB2 . 6538 1 942 . 1 1 86 86 HIS HB3 H 1 3.23 0.02 . 2 . . . . 86 HIS HB3 . 6538 1 943 . 1 1 86 86 HIS HD2 H 1 7.14 0.02 . 1 . . . . 86 HIS HD2 . 6538 1 944 . 1 1 86 86 HIS HE1 H 1 7.42 0.02 . 1 . . . . 86 HIS HE1 . 6538 1 945 . 1 1 86 86 HIS C C 13 174.60 0.1 . 1 . . . . 86 HIS C . 6538 1 946 . 1 1 86 86 HIS CA C 13 55.42 0.1 . 1 . . . . 86 HIS CA . 6538 1 947 . 1 1 86 86 HIS CB C 13 33.00 0.1 . 1 . . . . 86 HIS CB . 6538 1 948 . 1 1 86 86 HIS CD2 C 13 117.92 0.1 . 1 . . . . 86 HIS CD2 . 6538 1 949 . 1 1 86 86 HIS CE1 C 13 127.5 0.1 . 1 . . . . 86 HIS CE1 . 6538 1 950 . 1 1 86 86 HIS N N 15 121.38 0.1 . 1 . . . . 86 HIS N . 6538 1 951 . 1 1 87 87 TYR H H 1 9.55 0.02 . 1 . . . . 87 TYR H . 6538 1 952 . 1 1 87 87 TYR HA H 1 5.07 0.02 . 1 . . . . 87 TYR HA . 6538 1 953 . 1 1 87 87 TYR HB2 H 1 3.09 0.02 . 2 . . . . 87 TYR HB2 . 6538 1 954 . 1 1 87 87 TYR HD1 H 1 6.97 0.02 . 3 . . . . 87 TYR HD1 . 6538 1 955 . 1 1 87 87 TYR HE1 H 1 6.59 0.02 . 3 . . . . 87 TYR HE1 . 6538 1 956 . 1 1 87 87 TYR C C 13 173.34 0.1 . 1 . . . . 87 TYR C . 6538 1 957 . 1 1 87 87 TYR CA C 13 57.10 0.1 . 1 . . . . 87 TYR CA . 6538 1 958 . 1 1 87 87 TYR CB C 13 42.58 0.1 . 1 . . . . 87 TYR CB . 6538 1 959 . 1 1 87 87 TYR CD1 C 13 133.30 0.1 . 3 . . . . 87 TYR CD1 . 6538 1 960 . 1 1 87 87 TYR CE1 C 13 117.39 0.1 . 3 . . . . 87 TYR CE1 . 6538 1 961 . 1 1 87 87 TYR N N 15 126.42 0.1 . 1 . . . . 87 TYR N . 6538 1 962 . 1 1 88 88 LEU H H 1 9.27 0.1 . 1 . . . . 88 LEU H . 6538 1 963 . 1 1 88 88 LEU HA H 1 5.14 0.02 . 1 . . . . 88 LEU HA . 6538 1 964 . 1 1 88 88 LEU HB2 H 1 1.29 0.02 . 2 . . . . 88 LEU HB2 . 6538 1 965 . 1 1 88 88 LEU HB3 H 1 1.50 0.02 . 2 . . . . 88 LEU HB3 . 6538 1 966 . 1 1 88 88 LEU HG H 1 1.32 0.02 . 1 . . . . 88 LEU HG . 6538 1 967 . 1 1 88 88 LEU HD11 H 1 0.77 0.02 . 2 . . . . 88 LEU HD1 . 6538 1 968 . 1 1 88 88 LEU HD12 H 1 0.77 0.02 . 2 . . . . 88 LEU HD1 . 6538 1 969 . 1 1 88 88 LEU HD13 H 1 0.77 0.02 . 2 . . . . 88 LEU HD1 . 6538 1 970 . 1 1 88 88 LEU HD21 H 1 0.80 0.02 . 2 . . . . 88 LEU HD2 . 6538 1 971 . 1 1 88 88 LEU HD22 H 1 0.80 0.02 . 2 . . . . 88 LEU HD2 . 6538 1 972 . 1 1 88 88 LEU HD23 H 1 0.80 0.02 . 2 . . . . 88 LEU HD2 . 6538 1 973 . 1 1 88 88 LEU C C 13 172.45 0.1 . 1 . . . . 88 LEU C . 6538 1 974 . 1 1 88 88 LEU CA C 13 53.78 0.1 . 1 . . . . 88 LEU CA . 6538 1 975 . 1 1 88 88 LEU CB C 13 46.80 0.1 . 1 . . . . 88 LEU CB . 6538 1 976 . 1 1 88 88 LEU CG C 13 27.91 0.1 . 1 . . . . 88 LEU CG . 6538 1 977 . 1 1 88 88 LEU CD1 C 13 22.50 0.1 . 1 . . . . 88 LEU CD1 . 6538 1 978 . 1 1 88 88 LEU CD2 C 13 26.60 0.1 . 1 . . . . 88 LEU CD2 . 6538 1 979 . 1 1 88 88 LEU N N 15 124.48 0.1 . 1 . . . . 88 LEU N . 6538 1 980 . 1 1 89 89 LEU H H 1 8.81 0.02 . 1 . . . . 89 LEU H . 6538 1 981 . 1 1 89 89 LEU HA H 1 4.39 0.02 . 1 . . . . 89 LEU HA . 6538 1 982 . 1 1 89 89 LEU HB2 H 1 1.36 0.02 . 2 . . . . 89 LEU HB2 . 6538 1 983 . 1 1 89 89 LEU HG H 1 1.00 0.02 . 1 . . . . 89 LEU HG . 6538 1 984 . 1 1 89 89 LEU HD11 H 1 0.75 0.02 . 2 . . . . 89 LEU HD1 . 6538 1 985 . 1 1 89 89 LEU HD12 H 1 0.75 0.02 . 2 . . . . 89 LEU HD1 . 6538 1 986 . 1 1 89 89 LEU HD13 H 1 0.75 0.02 . 2 . . . . 89 LEU HD1 . 6538 1 987 . 1 1 89 89 LEU HD21 H 1 0.11 0.02 . 2 . . . . 89 LEU HD2 . 6538 1 988 . 1 1 89 89 LEU HD22 H 1 0.11 0.02 . 2 . . . . 89 LEU HD2 . 6538 1 989 . 1 1 89 89 LEU HD23 H 1 0.11 0.02 . 2 . . . . 89 LEU HD2 . 6538 1 990 . 1 1 89 89 LEU C C 13 174.20 0.1 . 1 . . . . 89 LEU C . 6538 1 991 . 1 1 89 89 LEU CA C 13 52.78 0.1 . 1 . . . . 89 LEU CA . 6538 1 992 . 1 1 89 89 LEU CB C 13 41.21 0.1 . 1 . . . . 89 LEU CB . 6538 1 993 . 1 1 89 89 LEU CG C 13 26.95 0.1 . 1 . . . . 89 LEU CG . 6538 1 994 . 1 1 89 89 LEU CD1 C 13 27.53 0.1 . 1 . . . . 89 LEU CD1 . 6538 1 995 . 1 1 89 89 LEU CD2 C 13 21.95 0.1 . 1 . . . . 89 LEU CD2 . 6538 1 996 . 1 1 89 89 LEU N N 15 130.05 0.1 . 1 . . . . 89 LEU N . 6538 1 997 . 1 1 90 90 GLU H H 1 8.84 0.02 . 1 . . . . 90 GLU H . 6538 1 998 . 1 1 90 90 GLU HA H 1 4.78 0.02 . 1 . . . . 90 GLU HA . 6538 1 999 . 1 1 90 90 GLU HB2 H 1 1.73 0.02 . 2 . . . . 90 GLU HB2 . 6538 1 1000 . 1 1 90 90 GLU HB3 H 1 1.82 0.02 . 2 . . . . 90 GLU HB3 . 6538 1 1001 . 1 1 90 90 GLU HG2 H 1 2.00 0.02 . 2 . . . . 90 GLU HG2 . 6538 1 1002 . 1 1 90 90 GLU C C 13 176.16 0.1 . 1 . . . . 90 GLU C . 6538 1 1003 . 1 1 90 90 GLU CA C 13 54.76 0.1 . 1 . . . . 90 GLU CA . 6538 1 1004 . 1 1 90 90 GLU CB C 13 32.72 0.1 . 1 . . . . 90 GLU CB . 6538 1 1005 . 1 1 90 90 GLU CG C 13 36.24 0.1 . 1 . . . . 90 GLU CG . 6538 1 1006 . 1 1 90 90 GLU N N 15 126.41 0.1 . 1 . . . . 90 GLU N . 6538 1 1007 . 1 1 91 91 ILE H H 1 8.79 0.02 . 1 . . . . 91 ILE H . 6538 1 1008 . 1 1 91 91 ILE HA H 1 4.78 0.02 . 1 . . . . 91 ILE HA . 6538 1 1009 . 1 1 91 91 ILE HB H 1 2.09 0.02 . 1 . . . . 91 ILE HB . 6538 1 1010 . 1 1 91 91 ILE HG12 H 1 1.53 0.02 . 2 . . . . 91 ILE HG12 . 6538 1 1011 . 1 1 91 91 ILE HG13 H 1 1.80 0.02 . 2 . . . . 91 ILE HG13 . 6538 1 1012 . 1 1 91 91 ILE HG21 H 1 0.93 0.02 . 1 . . . . 91 ILE HG2 . 6538 1 1013 . 1 1 91 91 ILE HG22 H 1 0.93 0.02 . 1 . . . . 91 ILE HG2 . 6538 1 1014 . 1 1 91 91 ILE HG23 H 1 0.93 0.02 . 1 . . . . 91 ILE HG2 . 6538 1 1015 . 1 1 91 91 ILE HD11 H 1 0.76 0.02 . 1 . . . . 91 ILE HD1 . 6538 1 1016 . 1 1 91 91 ILE HD12 H 1 0.76 0.02 . 1 . . . . 91 ILE HD1 . 6538 1 1017 . 1 1 91 91 ILE HD13 H 1 0.76 0.02 . 1 . . . . 91 ILE HD1 . 6538 1 1018 . 1 1 91 91 ILE C C 13 176.34 0.1 . 1 . . . . 91 ILE C . 6538 1 1019 . 1 1 91 91 ILE CA C 13 61.22 0.1 . 1 . . . . 91 ILE CA . 6538 1 1020 . 1 1 91 91 ILE CB C 13 37.88 0.1 . 1 . . . . 91 ILE CB . 6538 1 1021 . 1 1 91 91 ILE CG1 C 13 34.09 0.1 . 1 . . . . 91 ILE CG1 . 6538 1 1022 . 1 1 91 91 ILE CG2 C 13 17.72 0.1 . 1 . . . . 91 ILE CG2 . 6538 1 1023 . 1 1 91 91 ILE CD1 C 13 17.60 0.1 . 1 . . . . 91 ILE CD1 . 6538 1 1024 . 1 1 91 91 ILE N N 15 127.43 0.1 . 1 . . . . 91 ILE N . 6538 1 1025 . 1 1 93 93 ASN H H 1 7.51 0.02 . 1 . . . . 93 ASN H . 6538 1 1026 . 1 1 93 93 ASN HA H 1 4.59 0.02 . 1 . . . . 93 ASN HA . 6538 1 1027 . 1 1 93 93 ASN HB2 H 1 2.21 0.02 . 2 . . . . 93 ASN HB2 . 6538 1 1028 . 1 1 93 93 ASN HB3 H 1 3.10 0.02 . 2 . . . . 93 ASN HB3 . 6538 1 1029 . 1 1 93 93 ASN CA C 13 52.49 0.1 . 1 . . . . 93 ASN CA . 6538 1 1030 . 1 1 93 93 ASN CB C 13 43.70 0.1 . 1 . . . . 93 ASN CB . 6538 1 1031 . 1 1 93 93 ASN N N 15 129.24 0.1 . 1 . . . . 93 ASN N . 6538 1 1032 . 1 1 94 94 THR HA H 1 4.02 0.02 . 1 . . . . 94 THR HA . 6538 1 1033 . 1 1 94 94 THR HB H 1 4.26 0.02 . 1 . . . . 94 THR HB . 6538 1 1034 . 1 1 94 94 THR HG21 H 1 1.30 0.02 . 1 . . . . 94 THR HG2 . 6538 1 1035 . 1 1 94 94 THR HG22 H 1 1.30 0.02 . 1 . . . . 94 THR HG2 . 6538 1 1036 . 1 1 94 94 THR HG23 H 1 1.30 0.02 . 1 . . . . 94 THR HG2 . 6538 1 1037 . 1 1 94 94 THR CA C 13 65.04 0.1 . 1 . . . . 94 THR CA . 6538 1 1038 . 1 1 94 94 THR CB C 13 69.66 0.1 . 1 . . . . 94 THR CB . 6538 1 1039 . 1 1 94 94 THR CG2 C 13 21.95 0.1 . 1 . . . . 94 THR CG2 . 6538 1 1040 . 1 1 95 95 GLY H H 1 8.03 0.02 . 1 . . . . 95 GLY H . 6538 1 1041 . 1 1 95 95 GLY HA2 H 1 3.73 0.02 . 2 . . . . 95 GLY HA2 . 6538 1 1042 . 1 1 95 95 GLY HA3 H 1 4.21 0.02 . 2 . . . . 95 GLY HA3 . 6538 1 1043 . 1 1 95 95 GLY C C 13 174.36 0.1 . 1 . . . . 95 GLY C . 6538 1 1044 . 1 1 95 95 GLY CA C 13 45.07 0.1 . 1 . . . . 95 GLY CA . 6538 1 1045 . 1 1 95 95 GLY N N 15 109.16 0.1 . 1 . . . . 95 GLY N . 6538 1 1046 . 1 1 96 96 GLY H H 1 8.02 0.02 . 1 . . . . 96 GLY H . 6538 1 1047 . 1 1 96 96 GLY HA2 H 1 3.60 0.02 . 2 . . . . 96 GLY HA2 . 6538 1 1048 . 1 1 96 96 GLY HA3 H 1 4.33 0.02 . 2 . . . . 96 GLY HA3 . 6538 1 1049 . 1 1 96 96 GLY CA C 13 44.82 0.1 . 1 . . . . 96 GLY CA . 6538 1 1050 . 1 1 96 96 GLY N N 15 108.87 0.1 . 1 . . . . 96 GLY N . 6538 1 1051 . 1 1 98 98 VAL H H 1 7.56 0.02 . 1 . . . . 98 VAL H . 6538 1 1052 . 1 1 98 98 VAL HA H 1 4.55 0.02 . 1 . . . . 98 VAL HA . 6538 1 1053 . 1 1 98 98 VAL HB H 1 1.80 0.02 . 1 . . . . 98 VAL HB . 6538 1 1054 . 1 1 98 98 VAL HG11 H 1 0.89 0.02 . 2 . . . . 98 VAL HG1 . 6538 1 1055 . 1 1 98 98 VAL HG12 H 1 0.89 0.02 . 2 . . . . 98 VAL HG1 . 6538 1 1056 . 1 1 98 98 VAL HG13 H 1 0.89 0.02 . 2 . . . . 98 VAL HG1 . 6538 1 1057 . 1 1 98 98 VAL HG21 H 1 0.71 0.02 . 2 . . . . 98 VAL HG2 . 6538 1 1058 . 1 1 98 98 VAL HG22 H 1 0.71 0.02 . 2 . . . . 98 VAL HG2 . 6538 1 1059 . 1 1 98 98 VAL HG23 H 1 0.71 0.02 . 2 . . . . 98 VAL HG2 . 6538 1 1060 . 1 1 98 98 VAL C C 13 175.55 0.1 . 1 . . . . 98 VAL C . 6538 1 1061 . 1 1 98 98 VAL CA C 13 63.23 0.1 . 1 . . . . 98 VAL CA . 6538 1 1062 . 1 1 98 98 VAL CB C 13 33.96 0.1 . 1 . . . . 98 VAL CB . 6538 1 1063 . 1 1 98 98 VAL CG1 C 13 20.90 0.1 . 1 . . . . 98 VAL CG1 . 6538 1 1064 . 1 1 98 98 VAL N N 15 113.55 0.1 . 1 . . . . 98 VAL N . 6538 1 1065 . 1 1 99 99 CYS H H 1 7.45 0.02 . 1 . . . . 99 CYS H . 6538 1 1066 . 1 1 99 99 CYS HA H 1 4.17 0.02 . 1 . . . . 99 CYS HA . 6538 1 1067 . 1 1 99 99 CYS HB2 H 1 2.49 0.02 . 2 . . . . 99 CYS HB2 . 6538 1 1068 . 1 1 99 99 CYS HB3 H 1 2.68 0.02 . 2 . . . . 99 CYS HB3 . 6538 1 1069 . 1 1 99 99 CYS C C 13 174.11 0.1 . 1 . . . . 99 CYS C . 6538 1 1070 . 1 1 99 99 CYS CA C 13 54.68 0.1 . 1 . . . . 99 CYS CA . 6538 1 1071 . 1 1 99 99 CYS CB C 13 38.42 0.1 . 1 . . . . 99 CYS CB . 6538 1 1072 . 1 1 99 99 CYS N N 15 112.60 0.1 . 1 . . . . 99 CYS N . 6538 1 1073 . 1 1 100 100 ASN H H 1 8.19 0.02 . 1 . . . . 100 ASN H . 6538 1 1074 . 1 1 100 100 ASN HA H 1 5.45 0.02 . 1 . . . . 100 ASN HA . 6538 1 1075 . 1 1 100 100 ASN HB2 H 1 2.32 0.02 . 2 . . . . 100 ASN HB2 . 6538 1 1076 . 1 1 100 100 ASN HB3 H 1 2.62 0.02 . 2 . . . . 100 ASN HB3 . 6538 1 1077 . 1 1 100 100 ASN C C 13 174.01 0.1 . 1 . . . . 100 ASN C . 6538 1 1078 . 1 1 100 100 ASN CA C 13 52.12 0.1 . 1 . . . . 100 ASN CA . 6538 1 1079 . 1 1 100 100 ASN CB C 13 41.14 0.1 . 1 . . . . 100 ASN CB . 6538 1 1080 . 1 1 100 100 ASN N N 15 117.67 0.1 . 1 . . . . 100 ASN N . 6538 1 1081 . 1 1 101 101 LYS H H 1 9.21 0.02 . 1 . . . . 101 LYS H . 6538 1 1082 . 1 1 101 101 LYS HA H 1 4.80 0.02 . 1 . . . . 101 LYS HA . 6538 1 1083 . 1 1 101 101 LYS HB2 H 1 1.72 0.02 . 2 . . . . 101 LYS HB2 . 6538 1 1084 . 1 1 101 101 LYS HB3 H 1 1.76 0.02 . 2 . . . . 101 LYS HB3 . 6538 1 1085 . 1 1 101 101 LYS HG2 H 1 0.30 0.02 . 2 . . . . 101 LYS HG2 . 6538 1 1086 . 1 1 101 101 LYS HD2 H 1 0.78 0.02 . 2 . . . . 101 LYS HD2 . 6538 1 1087 . 1 1 101 101 LYS HE2 H 1 2.80 0.02 . 2 . . . . 101 LYS HE2 . 6538 1 1088 . 1 1 101 101 LYS C C 13 174.00 0.1 . 1 . . . . 101 LYS C . 6538 1 1089 . 1 1 101 101 LYS CA C 13 52.86 0.1 . 1 . . . . 101 LYS CA . 6538 1 1090 . 1 1 101 101 LYS CB C 13 31.82 0.1 . 1 . . . . 101 LYS CB . 6538 1 1091 . 1 1 101 101 LYS CG C 13 26.00 0.1 . 1 . . . . 101 LYS CG . 6538 1 1092 . 1 1 101 101 LYS CD C 13 24.42 0.1 . 1 . . . . 101 LYS CD . 6538 1 1093 . 1 1 101 101 LYS CE C 13 43.69 0.1 . 1 . . . . 101 LYS CE . 6538 1 1094 . 1 1 101 101 LYS N N 15 121.13 0.1 . 1 . . . . 101 LYS N . 6538 1 1095 . 1 1 102 102 ASN H H 1 8.41 0.02 . 1 . . . . 102 ASN H . 6538 1 1096 . 1 1 102 102 ASN HA H 1 5.47 0.02 . 1 . . . . 102 ASN HA . 6538 1 1097 . 1 1 102 102 ASN HB2 H 1 2.70 0.02 . 2 . . . . 102 ASN HB2 . 6538 1 1098 . 1 1 102 102 ASN HB3 H 1 3.13 0.02 . 2 . . . . 102 ASN HB3 . 6538 1 1099 . 1 1 102 102 ASN C C 13 175.29 0.1 . 1 . . . . 102 ASN C . 6538 1 1100 . 1 1 102 102 ASN CA C 13 53.30 0.1 . 1 . . . . 102 ASN CA . 6538 1 1101 . 1 1 102 102 ASN CB C 13 42.39 0.1 . 1 . . . . 102 ASN CB . 6538 1 1102 . 1 1 102 102 ASN N N 15 121.13 0.1 . 1 . . . . 102 ASN N . 6538 1 1103 . 1 1 103 103 PHE H H 1 9.77 0.02 . 1 . . . . 103 PHE H . 6538 1 1104 . 1 1 103 103 PHE HA H 1 5.40 0.02 . 1 . . . . 103 PHE HA . 6538 1 1105 . 1 1 103 103 PHE HB2 H 1 2.77 0.02 . 2 . . . . 103 PHE HB2 . 6538 1 1106 . 1 1 103 103 PHE HB3 H 1 3.13 0.02 . 2 . . . . 103 PHE HB3 . 6538 1 1107 . 1 1 103 103 PHE HD1 H 1 7.20 0.02 . 3 . . . . 103 PHE HD1 . 6538 1 1108 . 1 1 103 103 PHE HE1 H 1 6.91 0.02 . 3 . . . . 103 PHE HE1 . 6538 1 1109 . 1 1 103 103 PHE C C 13 174.29 0.1 . 1 . . . . 103 PHE C . 6538 1 1110 . 1 1 103 103 PHE CA C 13 56.63 0.1 . 1 . . . . 103 PHE CA . 6538 1 1111 . 1 1 103 103 PHE CB C 13 43.45 0.1 . 1 . . . . 103 PHE CB . 6538 1 1112 . 1 1 103 103 PHE N N 15 121.31 0.1 . 1 . . . . 103 PHE N . 6538 1 1113 . 1 1 104 104 GLN H H 1 9.04 0.02 . 1 . . . . 104 GLN H . 6538 1 1114 . 1 1 104 104 GLN HA H 1 4.99 0.02 . 1 . . . . 104 GLN HA . 6538 1 1115 . 1 1 104 104 GLN HB2 H 1 2.05 0.02 . 2 . . . . 104 GLN HB2 . 6538 1 1116 . 1 1 104 104 GLN HB3 H 1 2.16 0.02 . 2 . . . . 104 GLN HB3 . 6538 1 1117 . 1 1 104 104 GLN HG2 H 1 2.16 0.02 . 2 . . . . 104 GLN HG2 . 6538 1 1118 . 1 1 104 104 GLN HG3 H 1 2.36 0.02 . 2 . . . . 104 GLN HG3 . 6538 1 1119 . 1 1 104 104 GLN C C 13 173.89 0.1 . 1 . . . . 104 GLN C . 6538 1 1120 . 1 1 104 104 GLN CA C 13 54.61 0.1 . 1 . . . . 104 GLN CA . 6538 1 1121 . 1 1 104 104 GLN CB C 13 29.04 0.1 . 1 . . . . 104 GLN CB . 6538 1 1122 . 1 1 104 104 GLN CG C 13 33.33 0.1 . 1 . . . . 104 GLN CG . 6538 1 1123 . 1 1 104 104 GLN N N 15 124.34 0.1 . 1 . . . . 104 GLN N . 6538 1 1124 . 1 1 105 105 LEU H H 1 9.55 0.02 . 1 . . . . 105 LEU H . 6538 1 1125 . 1 1 105 105 LEU HA H 1 5.36 0.02 . 1 . . . . 105 LEU HA . 6538 1 1126 . 1 1 105 105 LEU HB2 H 1 1.06 0.02 . 2 . . . . 105 LEU HB2 . 6538 1 1127 . 1 1 105 105 LEU HB3 H 1 2.46 0.02 . 2 . . . . 105 LEU HB3 . 6538 1 1128 . 1 1 105 105 LEU HG H 1 1.21 0.02 . 1 . . . . 105 LEU HG . 6538 1 1129 . 1 1 105 105 LEU HD11 H 1 0.61 0.02 . 2 . . . . 105 LEU HD1 . 6538 1 1130 . 1 1 105 105 LEU HD12 H 1 0.61 0.02 . 2 . . . . 105 LEU HD1 . 6538 1 1131 . 1 1 105 105 LEU HD13 H 1 0.61 0.02 . 2 . . . . 105 LEU HD1 . 6538 1 1132 . 1 1 105 105 LEU HD21 H 1 0.66 0.02 . 2 . . . . 105 LEU HD2 . 6538 1 1133 . 1 1 105 105 LEU HD22 H 1 0.66 0.02 . 2 . . . . 105 LEU HD2 . 6538 1 1134 . 1 1 105 105 LEU HD23 H 1 0.66 0.02 . 2 . . . . 105 LEU HD2 . 6538 1 1135 . 1 1 105 105 LEU C C 13 175.60 0.1 . 1 . . . . 105 LEU C . 6538 1 1136 . 1 1 105 105 LEU CA C 13 53.62 0.1 . 1 . . . . 105 LEU CA . 6538 1 1137 . 1 1 105 105 LEU CB C 13 44.53 0.1 . 1 . . . . 105 LEU CB . 6538 1 1138 . 1 1 105 105 LEU CG C 13 26.65 0.1 . 1 . . . . 105 LEU CG . 6538 1 1139 . 1 1 105 105 LEU CD1 C 13 26.65 0.1 . 1 . . . . 105 LEU CD1 . 6538 1 1140 . 1 1 105 105 LEU CD2 C 13 24.18 0.1 . 1 . . . . 105 LEU CD2 . 6538 1 1141 . 1 1 105 105 LEU N N 15 128.98 0.1 . 1 . . . . 105 LEU N . 6538 1 1142 . 1 1 106 106 LEU H H 1 9.13 0.02 . 1 . . . . 106 LEU H . 6538 1 1143 . 1 1 106 106 LEU HA H 1 4.74 0.02 . 1 . . . . 106 LEU HA . 6538 1 1144 . 1 1 106 106 LEU HB2 H 1 1.57 0.02 . 2 . . . . 106 LEU HB2 . 6538 1 1145 . 1 1 106 106 LEU HB3 H 1 1.85 0.02 . 2 . . . . 106 LEU HB3 . 6538 1 1146 . 1 1 106 106 LEU HG H 1 1.46 0.02 . 1 . . . . 106 LEU HG . 6538 1 1147 . 1 1 106 106 LEU HD11 H 1 0.93 0.02 . 2 . . . . 106 LEU HD1 . 6538 1 1148 . 1 1 106 106 LEU HD12 H 1 0.93 0.02 . 2 . . . . 106 LEU HD1 . 6538 1 1149 . 1 1 106 106 LEU HD13 H 1 0.93 0.02 . 2 . . . . 106 LEU HD1 . 6538 1 1150 . 1 1 106 106 LEU HD21 H 1 0.96 0.02 . 2 . . . . 106 LEU HD2 . 6538 1 1151 . 1 1 106 106 LEU HD22 H 1 0.96 0.02 . 2 . . . . 106 LEU HD2 . 6538 1 1152 . 1 1 106 106 LEU HD23 H 1 0.96 0.02 . 2 . . . . 106 LEU HD2 . 6538 1 1153 . 1 1 106 106 LEU C C 13 173.35 0.1 . 1 . . . . 106 LEU C . 6538 1 1154 . 1 1 106 106 LEU CA C 13 54.12 0.1 . 1 . . . . 106 LEU CA . 6538 1 1155 . 1 1 106 106 LEU CB C 13 44.88 0.1 . 1 . . . . 106 LEU CB . 6538 1 1156 . 1 1 106 106 LEU CG C 13 28.21 0.1 . 1 . . . . 106 LEU CG . 6538 1 1157 . 1 1 106 106 LEU CD1 C 13 25.62 0.1 . 1 . . . . 106 LEU CD1 . 6538 1 1158 . 1 1 106 106 LEU CD2 C 13 23.84 0.1 . 1 . . . . 106 LEU CD2 . 6538 1 1159 . 1 1 106 106 LEU N N 15 132.51 0.1 . 1 . . . . 106 LEU N . 6538 1 1160 . 1 1 107 107 ILE H H 1 8.08 0.02 . 1 . . . . 107 ILE H . 6538 1 1161 . 1 1 107 107 ILE HA H 1 4.45 0.02 . 1 . . . . 107 ILE HA . 6538 1 1162 . 1 1 107 107 ILE HB H 1 1.91 0.02 . 1 . . . . 107 ILE HB . 6538 1 1163 . 1 1 107 107 ILE HG12 H 1 1.31 0.02 . 2 . . . . 107 ILE HG12 . 6538 1 1164 . 1 1 107 107 ILE HG21 H 1 0.45 0.02 . 1 . . . . 107 ILE HG2 . 6538 1 1165 . 1 1 107 107 ILE HG22 H 1 0.45 0.02 . 1 . . . . 107 ILE HG2 . 6538 1 1166 . 1 1 107 107 ILE HG23 H 1 0.45 0.02 . 1 . . . . 107 ILE HG2 . 6538 1 1167 . 1 1 107 107 ILE HD11 H 1 0.43 0.02 . 1 . . . . 107 ILE HD1 . 6538 1 1168 . 1 1 107 107 ILE HD12 H 1 0.43 0.02 . 1 . . . . 107 ILE HD1 . 6538 1 1169 . 1 1 107 107 ILE HD13 H 1 0.43 0.02 . 1 . . . . 107 ILE HD1 . 6538 1 1170 . 1 1 107 107 ILE C C 13 174.53 0.1 . 1 . . . . 107 ILE C . 6538 1 1171 . 1 1 107 107 ILE CA C 13 56.68 0.1 . 1 . . . . 107 ILE CA . 6538 1 1172 . 1 1 107 107 ILE CB C 13 35.96 0.1 . 1 . . . . 107 ILE CB . 6538 1 1173 . 1 1 107 107 ILE CG1 C 13 25.42 0.1 . 1 . . . . 107 ILE CG1 . 6538 1 1174 . 1 1 107 107 ILE CG2 C 13 16.83 0.1 . 1 . . . . 107 ILE CG2 . 6538 1 1175 . 1 1 107 107 ILE CD1 C 13 9.60 0.1 . 1 . . . . 107 ILE CD1 . 6538 1 1176 . 1 1 107 107 ILE N N 15 124.75 0.1 . 1 . . . . 107 ILE N . 6538 1 stop_ save_