data_12041 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 12041 _Entry.Title ; 1H, 13C and 15N resonance assignments of Q38FZ4, hypothetical protein from Trypanosoma brucei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-15 _Entry.Accession_date 2020-01-16 _Entry.Last_release_date 2020-01-15 _Entry.Original_release_date 2020-01-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Rui Wang . . . . 12041 2 Jie Gao . . . . 12041 3 Shanhui Liao . . . . 12041 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 12041 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 12041 '15N chemical shifts' 91 12041 '1H chemical shifts' 601 12041 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 . . 2020-07-09 . original BMRB . 12041 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 12041 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32488600 _Citation.DOI 10.1007/s12104-020-09956-5 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments of Q38FZ4, hypothetical protein from Trypanosoma brucei ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-2718 _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 . _Citation.Page_last . _Citation.Year 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rui Wang . . . . 12041 1 2 Jiahai Zhang . . . . 12041 1 3 Shanhui Liao . . . . 12041 1 4 Xiaoming Tu . . . . 12041 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 12041 _Assembly.ID 1 _Assembly.Name Q38FZ4 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Q38FZ4 1 $Q38FZ4 A . yes native no no . . . 12041 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Q38FZ4 _Entity.Sf_category entity _Entity.Sf_framecode Q38FZ4 _Entity.Entry_ID 12041 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Q38FZ4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAPAVIEIHIPLDRIRNEEY ATDDLLLNCLSKIGDTPEED GLPLRTWILREAHQALIKSP KLRTVLVKPQTVKDKPTHFQ ICFDELEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 1 MET . 12041 1 2 2 ALA . 12041 1 3 3 PRO . 12041 1 4 4 ALA . 12041 1 5 5 VAL . 12041 1 6 6 ILE . 12041 1 7 7 GLU . 12041 1 8 8 ILE . 12041 1 9 9 HIS . 12041 1 10 10 ILE . 12041 1 11 11 PRO . 12041 1 12 12 LEU . 12041 1 13 13 ASP . 12041 1 14 14 ARG . 12041 1 15 15 ILE . 12041 1 16 16 ARG . 12041 1 17 17 ASN . 12041 1 18 18 GLU . 12041 1 19 19 GLU . 12041 1 20 20 TYR . 12041 1 21 21 ALA . 12041 1 22 22 THR . 12041 1 23 23 ASP . 12041 1 24 24 ASP . 12041 1 25 25 LEU . 12041 1 26 26 LEU . 12041 1 27 27 LEU . 12041 1 28 28 ASN . 12041 1 29 29 CYS . 12041 1 30 30 LEU . 12041 1 31 31 SER . 12041 1 32 32 LYS . 12041 1 33 33 ILE . 12041 1 34 34 GLY . 12041 1 35 35 ASP . 12041 1 36 36 THR . 12041 1 37 37 PRO . 12041 1 38 38 GLU . 12041 1 39 39 GLU . 12041 1 40 40 ASP . 12041 1 41 41 GLY . 12041 1 42 42 LEU . 12041 1 43 43 PRO . 12041 1 44 44 LEU . 12041 1 45 45 ARG . 12041 1 46 46 THR . 12041 1 47 47 TRP . 12041 1 48 48 ILE . 12041 1 49 49 LEU . 12041 1 50 50 ARG . 12041 1 51 51 GLU . 12041 1 52 52 ALA . 12041 1 53 53 HIS . 12041 1 54 54 GLN . 12041 1 55 55 ALA . 12041 1 56 56 LEU . 12041 1 57 57 ILE . 12041 1 58 58 LYS . 12041 1 59 59 SER . 12041 1 60 60 PRO . 12041 1 61 61 LYS . 12041 1 62 62 LEU . 12041 1 63 63 ARG . 12041 1 64 64 THR . 12041 1 65 65 VAL . 12041 1 66 66 LEU . 12041 1 67 67 VAL . 12041 1 68 68 LYS . 12041 1 69 69 PRO . 12041 1 70 70 GLN . 12041 1 71 71 THR . 12041 1 72 72 VAL . 12041 1 73 73 LYS . 12041 1 74 74 ASP . 12041 1 75 75 LYS . 12041 1 76 76 PRO . 12041 1 77 77 THR . 12041 1 78 78 HIS . 12041 1 79 79 PHE . 12041 1 80 80 GLN . 12041 1 81 81 ILE . 12041 1 82 82 CYS . 12041 1 83 83 PHE . 12041 1 84 84 ASP . 12041 1 85 85 GLU . 12041 1 86 86 LEU . 12041 1 87 87 GLU . 12041 1 88 88 HIS . 12041 1 89 89 HIS . 12041 1 90 90 HIS . 12041 1 91 91 HIS . 12041 1 92 92 HIS . 12041 1 93 93 HIS . 12041 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 . MET 1 1 12041 1 . ALA 2 2 12041 1 . PRO 3 3 12041 1 . ALA 4 4 12041 1 . VAL 5 5 12041 1 . ILE 6 6 12041 1 . GLU 7 7 12041 1 . ILE 8 8 12041 1 . HIS 9 9 12041 1 . ILE 10 10 12041 1 . PRO 11 11 12041 1 . LEU 12 12 12041 1 . ASP 13 13 12041 1 . ARG 14 14 12041 1 . ILE 15 15 12041 1 . ARG 16 16 12041 1 . ASN 17 17 12041 1 . GLU 18 18 12041 1 . GLU 19 19 12041 1 . TYR 20 20 12041 1 . ALA 21 21 12041 1 . THR 22 22 12041 1 . ASP 23 23 12041 1 . ASP 24 24 12041 1 . LEU 25 25 12041 1 . LEU 26 26 12041 1 . LEU 27 27 12041 1 . ASN 28 28 12041 1 . CYS 29 29 12041 1 . LEU 30 30 12041 1 . SER 31 31 12041 1 . LYS 32 32 12041 1 . ILE 33 33 12041 1 . GLY 34 34 12041 1 . ASP 35 35 12041 1 . THR 36 36 12041 1 . PRO 37 37 12041 1 . GLU 38 38 12041 1 . GLU 39 39 12041 1 . ASP 40 40 12041 1 . GLY 41 41 12041 1 . LEU 42 42 12041 1 . PRO 43 43 12041 1 . LEU 44 44 12041 1 . ARG 45 45 12041 1 . THR 46 46 12041 1 . TRP 47 47 12041 1 . ILE 48 48 12041 1 . LEU 49 49 12041 1 . ARG 50 50 12041 1 . GLU 51 51 12041 1 . ALA 52 52 12041 1 . HIS 53 53 12041 1 . GLN 54 54 12041 1 . ALA 55 55 12041 1 . LEU 56 56 12041 1 . ILE 57 57 12041 1 . LYS 58 58 12041 1 . SER 59 59 12041 1 . PRO 60 60 12041 1 . LYS 61 61 12041 1 . LEU 62 62 12041 1 . ARG 63 63 12041 1 . THR 64 64 12041 1 . VAL 65 65 12041 1 . LEU 66 66 12041 1 . VAL 67 67 12041 1 . LYS 68 68 12041 1 . PRO 69 69 12041 1 . GLN 70 70 12041 1 . THR 71 71 12041 1 . VAL 72 72 12041 1 . LYS 73 73 12041 1 . ASP 74 74 12041 1 . LYS 75 75 12041 1 . PRO 76 76 12041 1 . THR 77 77 12041 1 . HIS 78 78 12041 1 . PHE 79 79 12041 1 . GLN 80 80 12041 1 . ILE 81 81 12041 1 . CYS 82 82 12041 1 . PHE 83 83 12041 1 . ASP 84 84 12041 1 . GLU 85 85 12041 1 . LEU 86 86 12041 1 . GLU 87 87 12041 1 . HIS 88 88 12041 1 . HIS 89 89 12041 1 . HIS 90 90 12041 1 . HIS 91 91 12041 1 . HIS 92 92 12041 1 . HIS 93 93 12041 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 12041 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Q38FZ4 . 5691 organism . 'Trypanosoma brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . 12041 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 12041 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Q38FZ4 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET-22(b) . . . 12041 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 12041 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Q38FZ4 '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $Q38FZ4 . protein 0.8 . . mM . . . . 12041 1 2 NaH2PO4 'natural abundance' . . . . . buffer 25 . . mM . . . . 12041 1 3 NaCl 'natural abundance' . . . . . salt 150 . . mM . . . . 12041 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 12041 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 12041 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 12041 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 150 . mM 12041 1 pH 6.8 . pH 12041 1 pressure 1 . atm 12041 1 temperature 298 . K 12041 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 12041 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 12041 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 12041 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 12041 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 12041 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 600 . . . 12041 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 12041 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12041 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12041 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12041 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12041 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12041 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12041 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12041 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 12041 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 12041 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 12041 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 12041 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 12041 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 12041 1 2 '3D HNCACB' 1 $sample_1 isotropic 12041 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 12041 1 4 '3D HBHA(CO)NH' 1 $sample_1 isotropic 12041 1 5 '3D H(CCO)NH' 1 $sample_1 isotropic 12041 1 6 '3D 1H-15N NOESY' 1 $sample_1 isotropic 12041 1 7 '3D 1H-13C NOESY' 1 $sample_1 isotropic 12041 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 MET HA H 1 3.997 0.002 2 1 . . . . . 1 MET HA . 12041 1 2 . 1 . 1 1 1 MET HB2 H 1 2.079 0.005 2 2 . . . . . 1 MET HB# . 12041 1 3 . 1 . 1 1 1 MET HB3 H 1 2.079 0.005 2 2 . . . . . 1 MET HB# . 12041 1 4 . 1 . 1 1 1 MET HG2 H 1 2.568 0.000 1 2 . . . . . 1 MET HG# . 12041 1 5 . 1 . 1 1 1 MET HG3 H 1 2.568 0.000 1 2 . . . . . 1 MET HG# . 12041 1 6 . 1 . 1 1 1 MET CA C 13 54.728 0.000 1 1 . . . . . 1 MET CA . 12041 1 7 . 1 . 1 1 1 MET CB C 13 33.620 0.000 1 1 . . . . . 1 MET CB . 12041 1 8 . 1 . 1 1 1 MET CG C 13 30.252 0.000 1 1 . . . . . 1 MET CG . 12041 1 9 . 1 . 1 2 2 ALA H H 1 8.637 0.010 8 1 . . . . . 2 ALA HN . 12041 1 10 . 1 . 1 2 2 ALA N N 15 128.014 0.084 8 1 . . . . . 2 ALA N . 12041 1 11 . 1 . 1 3 3 PRO HA H 1 4.073 0.008 10 1 . . . . . 3 PRO HA . 12041 1 12 . 1 . 1 3 3 PRO HB2 H 1 1.103 0.023 12 2 . . . . . 3 PRO HB2 . 12041 1 13 . 1 . 1 3 3 PRO HB3 H 1 0.938 0.010 8 2 . . . . . 3 PRO HB3 . 12041 1 14 . 1 . 1 3 3 PRO HD2 H 1 3.687 0.017 4 2 . . . . . 3 PRO HD2 . 12041 1 15 . 1 . 1 3 3 PRO HD3 H 1 3.441 0.007 3 2 . . . . . 3 PRO HD3 . 12041 1 16 . 1 . 1 3 3 PRO HG2 H 1 1.644 0.000 1 2 . . . . . 3 PRO HG# . 12041 1 17 . 1 . 1 3 3 PRO HG3 H 1 1.644 0.000 1 2 . . . . . 3 PRO HG# . 12041 1 18 . 1 . 1 3 3 PRO CA C 13 62.359 0.050 6 1 . . . . . 3 PRO CA . 12041 1 19 . 1 . 1 3 3 PRO CB C 13 31.060 0.073 6 1 . . . . . 3 PRO CB . 12041 1 20 . 1 . 1 3 3 PRO CD C 13 50.219 0.000 1 1 . . . . . 3 PRO CD . 12041 1 21 . 1 . 1 3 3 PRO CG C 13 27.362 0.000 1 1 . . . . . 3 PRO CG . 12041 1 22 . 1 . 1 4 4 ALA H H 1 7.869 0.008 30 1 . . . . . 4 ALA HN . 12041 1 23 . 1 . 1 4 4 ALA HA H 1 4.268 0.007 11 1 . . . . . 4 ALA HA . 12041 1 24 . 1 . 1 4 4 ALA HB1 H 1 1.266 0.008 16 1 . . . . . 4 ALA HB . 12041 1 25 . 1 . 1 4 4 ALA HB2 H 1 1.266 0.008 16 1 . . . . . 4 ALA HB . 12041 1 26 . 1 . 1 4 4 ALA HB3 H 1 1.266 0.008 16 1 . . . . . 4 ALA HB . 12041 1 27 . 1 . 1 4 4 ALA CA C 13 51.460 0.063 6 1 . . . . . 4 ALA CA . 12041 1 28 . 1 . 1 4 4 ALA CB C 13 18.773 0.819 10 1 . . . . . 4 ALA CB . 12041 1 29 . 1 . 1 4 4 ALA N N 15 125.768 0.226 27 1 . . . . . 4 ALA N . 12041 1 30 . 1 . 1 5 5 VAL H H 1 8.269 0.006 19 1 . . . . . 5 VAL HN . 12041 1 31 . 1 . 1 5 5 VAL HA H 1 4.537 0.029 11 1 . . . . . 5 VAL HA . 12041 1 32 . 1 . 1 5 5 VAL HB H 1 1.799 0.007 6 1 . . . . . 5 VAL HB . 12041 1 33 . 1 . 1 5 5 VAL HG11 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1 34 . 1 . 1 5 5 VAL HG12 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1 35 . 1 . 1 5 5 VAL HG13 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1 36 . 1 . 1 5 5 VAL HG21 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1 37 . 1 . 1 5 5 VAL HG22 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1 38 . 1 . 1 5 5 VAL HG23 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1 39 . 1 . 1 5 5 VAL CA C 13 60.977 0.061 4 1 . . . . . 5 VAL CA . 12041 1 40 . 1 . 1 5 5 VAL CB C 13 33.079 0.303 3 1 . . . . . 5 VAL CB . 12041 1 41 . 1 . 1 5 5 VAL CG1 C 13 21.598 0.000 1 2 . . . . . 5 VAL CG# . 12041 1 42 . 1 . 1 5 5 VAL CG2 C 13 21.598 0.000 1 2 . . . . . 5 VAL CG# . 12041 1 43 . 1 . 1 5 5 VAL N N 15 120.436 0.161 17 1 . . . . . 5 VAL N . 12041 1 44 . 1 . 1 6 6 ILE H H 1 8.460 0.006 28 1 . . . . . 6 ILE HN . 12041 1 45 . 1 . 1 6 6 ILE HA H 1 4.282 0.012 13 1 . . . . . 6 ILE HA . 12041 1 46 . 1 . 1 6 6 ILE HB H 1 1.814 0.006 14 1 . . . . . 6 ILE HB . 12041 1 47 . 1 . 1 6 6 ILE HG12 H 1 1.351 0.008 6 2 . . . . . 6 ILE HG1# . 12041 1 48 . 1 . 1 6 6 ILE HG13 H 1 1.351 0.008 6 2 . . . . . 6 ILE HG1# . 12041 1 49 . 1 . 1 6 6 ILE HG21 H 1 0.945 0.006 17 1 . . . . . 6 ILE HG2# . 12041 1 50 . 1 . 1 6 6 ILE HG22 H 1 0.945 0.006 17 1 . . . . . 6 ILE HG2# . 12041 1 51 . 1 . 1 6 6 ILE HG23 H 1 0.945 0.006 17 1 . . . . . 6 ILE HG2# . 12041 1 52 . 1 . 1 6 6 ILE CA C 13 59.400 0.161 6 1 . . . . . 6 ILE CA . 12041 1 53 . 1 . 1 6 6 ILE CB C 13 39.434 0.082 7 1 . . . . . 6 ILE CB . 12041 1 54 . 1 . 1 6 6 ILE CD1 C 13 11.687 0.000 1 1 . . . . . 6 ILE CD . 12041 1 55 . 1 . 1 6 6 ILE CG1 C 13 27.292 0.000 1 1 . . . . . 6 ILE CG1 . 12041 1 56 . 1 . 1 6 6 ILE CG2 C 13 16.977 0.096 10 1 . . . . . 6 ILE CG2 . 12041 1 57 . 1 . 1 6 6 ILE N N 15 129.162 0.292 23 1 . . . . . 6 ILE N . 12041 1 58 . 1 . 1 7 7 GLU H H 1 8.877 0.009 28 1 . . . . . 7 GLU HN . 12041 1 59 . 1 . 1 7 7 GLU HA H 1 4.608 0.018 4 1 . . . . . 7 GLU HA . 12041 1 60 . 1 . 1 7 7 GLU HB2 H 1 2.006 0.010 6 2 . . . . . 7 GLU HB# . 12041 1 61 . 1 . 1 7 7 GLU HB3 H 1 2.006 0.010 6 2 . . . . . 7 GLU HB# . 12041 1 62 . 1 . 1 7 7 GLU HG2 H 1 2.226 0.017 6 2 . . . . . 7 GLU HG# . 12041 1 63 . 1 . 1 7 7 GLU HG3 H 1 2.226 0.017 6 2 . . . . . 7 GLU HG# . 12041 1 64 . 1 . 1 7 7 GLU CA C 13 55.276 0.000 1 1 . . . . . 7 GLU CA . 12041 1 65 . 1 . 1 7 7 GLU CB C 13 31.945 0.000 1 1 . . . . . 7 GLU CB . 12041 1 66 . 1 . 1 7 7 GLU CG C 13 37.196 0.000 1 1 . . . . . 7 GLU CG . 12041 1 67 . 1 . 1 7 7 GLU N N 15 129.466 0.344 26 1 . . . . . 7 GLU N . 12041 1 68 . 1 . 1 8 8 ILE H H 1 8.875 0.009 21 1 . . . . . 8 ILE HN . 12041 1 69 . 1 . 1 8 8 ILE HA H 1 4.549 0.010 14 1 . . . . . 8 ILE HA . 12041 1 70 . 1 . 1 8 8 ILE HB H 1 1.666 0.016 13 1 . . . . . 8 ILE HB . 12041 1 71 . 1 . 1 8 8 ILE HD11 H 1 0.565 0.000 8 1 . . . . . 8 ILE HD1# . 12041 1 72 . 1 . 1 8 8 ILE HD12 H 1 0.565 0.000 8 1 . . . . . 8 ILE HD1# . 12041 1 73 . 1 . 1 8 8 ILE HD13 H 1 0.565 0.000 8 1 . . . . . 8 ILE HD1# . 12041 1 74 . 1 . 1 8 8 ILE HG12 H 1 1.429 0.029 11 2 . . . . . 8 ILE HG12 . 12041 1 75 . 1 . 1 8 8 ILE HG13 H 1 1.257 0.016 12 2 . . . . . 8 ILE HG13 . 12041 1 76 . 1 . 1 8 8 ILE HG21 H 1 0.796 0.009 12 1 . . . . . 8 ILE HG2# . 12041 1 77 . 1 . 1 8 8 ILE HG22 H 1 0.796 0.009 12 1 . . . . . 8 ILE HG2# . 12041 1 78 . 1 . 1 8 8 ILE HG23 H 1 0.796 0.009 12 1 . . . . . 8 ILE HG2# . 12041 1 79 . 1 . 1 8 8 ILE CA C 13 59.167 0.030 7 1 . . . . . 8 ILE CA . 12041 1 80 . 1 . 1 8 8 ILE CB C 13 41.400 0.000 1 1 . . . . . 8 ILE CB . 12041 1 81 . 1 . 1 8 8 ILE CD1 C 13 12.183 0.447 2 1 . . . . . 8 ILE CD1 . 12041 1 82 . 1 . 1 8 8 ILE CG1 C 13 26.993 0.080 8 1 . . . . . 8 ILE CG1 . 12041 1 83 . 1 . 1 8 8 ILE CG2 C 13 17.920 0.176 9 1 . . . . . 8 ILE CG2 . 12041 1 84 . 1 . 1 8 8 ILE N N 15 126.983 0.275 19 1 . . . . . 8 ILE N . 12041 1 85 . 1 . 1 9 9 HIS H H 1 9.097 0.008 32 1 . . . . . 9 HIS HN . 12041 1 86 . 1 . 1 9 9 HIS HA H 1 5.207 0.007 20 1 . . . . . 9 HIS HA . 12041 1 87 . 1 . 1 9 9 HIS HB2 H 1 3.696 0.006 12 2 . . . . . 9 HIS HB2 . 12041 1 88 . 1 . 1 9 9 HIS HB3 H 1 2.975 0.011 11 2 . . . . . 9 HIS HB3 . 12041 1 89 . 1 . 1 9 9 HIS HE1 H 1 8.146 0.007 2 1 . . . . . 9 HIS HE1 . 12041 1 90 . 1 . 1 9 9 HIS CA C 13 54.999 0.181 11 1 . . . . . 9 HIS CA . 12041 1 91 . 1 . 1 9 9 HIS CB C 13 29.329 0.177 6 1 . . . . . 9 HIS CB . 12041 1 92 . 1 . 1 9 9 HIS N N 15 126.137 0.226 29 1 . . . . . 9 HIS N . 12041 1 93 . 1 . 1 10 10 ILE H H 1 8.704 0.009 31 1 . . . . . 10 ILE HN . 12041 1 94 . 1 . 1 10 10 ILE HA H 1 4.473 0.000 1 1 . . . . . 10 ILE HA . 12041 1 95 . 1 . 1 10 10 ILE HB H 1 1.351 0.009 2 1 . . . . . 10 ILE HB . 12041 1 96 . 1 . 1 10 10 ILE HD11 H 1 0.613 0.011 12 1 . . . . . 10 ILE HD1# . 12041 1 97 . 1 . 1 10 10 ILE HD12 H 1 0.613 0.011 12 1 . . . . . 10 ILE HD1# . 12041 1 98 . 1 . 1 10 10 ILE HD13 H 1 0.613 0.011 12 1 . . . . . 10 ILE HD1# . 12041 1 99 . 1 . 1 10 10 ILE HG12 H 1 0.991 0.000 1 2 . . . . . 10 ILE HG1# . 12041 1 100 . 1 . 1 10 10 ILE HG13 H 1 0.991 0.000 1 2 . . . . . 10 ILE HG1# . 12041 1 101 . 1 . 1 10 10 ILE HG21 H 1 0.840 0.000 1 1 . . . . . 10 ILE HG2# . 12041 1 102 . 1 . 1 10 10 ILE HG22 H 1 0.840 0.000 1 1 . . . . . 10 ILE HG2# . 12041 1 103 . 1 . 1 10 10 ILE HG23 H 1 0.840 0.000 1 1 . . . . . 10 ILE HG2# . 12041 1 104 . 1 . 1 10 10 ILE N N 15 116.520 0.149 28 1 . . . . . 10 ILE N . 12041 1 105 . 1 . 1 11 11 PRO HA H 1 5.136 0.086 5 1 . . . . . 11 PRO HA . 12041 1 106 . 1 . 1 11 11 PRO HB2 H 1 2.454 0.024 5 2 . . . . . 11 PRO HB# . 12041 1 107 . 1 . 1 11 11 PRO HB3 H 1 2.454 0.024 5 2 . . . . . 11 PRO HB# . 12041 1 108 . 1 . 1 11 11 PRO HD2 H 1 3.869 0.015 17 2 . . . . . 11 PRO HD2 . 12041 1 109 . 1 . 1 11 11 PRO HD3 H 1 3.359 0.012 11 2 . . . . . 11 PRO HD3 . 12041 1 110 . 1 . 1 11 11 PRO HG2 H 1 0.912 0.000 1 2 . . . . . 11 PRO HG# . 12041 1 111 . 1 . 1 11 11 PRO HG3 H 1 0.912 0.000 1 2 . . . . . 11 PRO HG# . 12041 1 112 . 1 . 1 11 11 PRO CA C 13 62.623 0.000 1 1 . . . . . 11 PRO CA . 12041 1 113 . 1 . 1 11 11 PRO CD C 13 50.916 0.121 12 1 . . . . . 11 PRO CD . 12041 1 114 . 1 . 1 11 11 PRO CG C 13 28.111 0.000 1 1 . . . . . 11 PRO CG . 12041 1 115 . 1 . 1 12 12 LEU H H 1 8.877 0.008 25 1 . . . . . 12 LEU HN . 12041 1 116 . 1 . 1 12 12 LEU HA H 1 3.696 0.007 7 1 . . . . . 12 LEU HA . 12041 1 117 . 1 . 1 12 12 LEU HB2 H 1 1.762 0.007 3 2 . . . . . 12 LEU HB2 . 12041 1 118 . 1 . 1 12 12 LEU HB3 H 1 1.129 0.016 6 2 . . . . . 12 LEU HB3 . 12041 1 119 . 1 . 1 12 12 LEU HD11 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1 120 . 1 . 1 12 12 LEU HD12 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1 121 . 1 . 1 12 12 LEU HD13 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1 122 . 1 . 1 12 12 LEU HD21 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1 123 . 1 . 1 12 12 LEU HD22 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1 124 . 1 . 1 12 12 LEU HD23 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1 125 . 1 . 1 12 12 LEU HG H 1 0.762 0.008 2 1 . . . . . 12 LEU HG . 12041 1 126 . 1 . 1 12 12 LEU CA C 13 57.458 0.000 1 1 . . . . . 12 LEU CA . 12041 1 127 . 1 . 1 12 12 LEU CB C 13 42.875 0.000 1 1 . . . . . 12 LEU CB . 12041 1 128 . 1 . 1 12 12 LEU CD1 C 13 23.755 0.000 1 2 . . . . . 12 LEU CD# . 12041 1 129 . 1 . 1 12 12 LEU CD2 C 13 23.755 0.000 1 2 . . . . . 12 LEU CD# . 12041 1 130 . 1 . 1 12 12 LEU CG C 13 25.899 0.000 1 1 . . . . . 12 LEU CG . 12041 1 131 . 1 . 1 12 12 LEU N N 15 127.027 0.262 24 1 . . . . . 12 LEU N . 12041 1 132 . 1 . 1 13 13 ASP H H 1 8.787 0.008 34 1 . . . . . 13 ASP HN . 12041 1 133 . 1 . 1 13 13 ASP HA H 1 4.092 0.006 13 1 . . . . . 13 ASP HA . 12041 1 134 . 1 . 1 13 13 ASP HB2 H 1 2.601 0.017 2 2 . . . . . 13 ASP HB2 . 12041 1 135 . 1 . 1 13 13 ASP HB3 H 1 2.559 0.017 3 2 . . . . . 13 ASP HB3 . 12041 1 136 . 1 . 1 13 13 ASP CA C 13 56.747 0.103 4 1 . . . . . 13 ASP CA . 12041 1 137 . 1 . 1 13 13 ASP CB C 13 39.651 0.139 4 1 . . . . . 13 ASP CB . 12041 1 138 . 1 . 1 13 13 ASP N N 15 113.694 0.262 29 1 . . . . . 13 ASP N . 12041 1 139 . 1 . 1 14 14 ARG H H 1 7.019 0.013 28 1 . . . . . 14 ARG HN . 12041 1 140 . 1 . 1 14 14 ARG HA H 1 4.324 0.022 12 1 . . . . . 14 ARG HA . 12041 1 141 . 1 . 1 14 14 ARG HB2 H 1 1.964 0.018 10 2 . . . . . 14 ARG HB2 . 12041 1 142 . 1 . 1 14 14 ARG HB3 H 1 1.666 0.011 10 2 . . . . . 14 ARG HB3 . 12041 1 143 . 1 . 1 14 14 ARG HD2 H 1 3.267 0.011 11 2 . . . . . 14 ARG HD2 . 12041 1 144 . 1 . 1 14 14 ARG HD3 H 1 3.049 0.011 11 2 . . . . . 14 ARG HD3 . 12041 1 145 . 1 . 1 14 14 ARG HE H 1 8.484 0.003 11 1 . . . . . 14 ARG HE . 12041 1 146 . 1 . 1 14 14 ARG CA C 13 57.082 0.015 5 1 . . . . . 14 ARG CA . 12041 1 147 . 1 . 1 14 14 ARG CB C 13 30.273 0.000 1 1 . . . . . 14 ARG CB . 12041 1 148 . 1 . 1 14 14 ARG CD C 13 41.895 0.091 9 1 . . . . . 14 ARG CD . 12041 1 149 . 1 . 1 14 14 ARG CG C 13 27.894 0.000 1 1 . . . . . 14 ARG CG . 12041 1 150 . 1 . 1 14 14 ARG N N 15 114.074 0.216 19 1 . . . . . 14 ARG N . 12041 1 151 . 1 . 1 14 14 ARG NE N 15 115.065 0.018 10 1 . . . . . 14 ARG NE . 12041 1 152 . 1 . 1 15 15 ILE H H 1 7.463 0.010 31 1 . . . . . 15 ILE HN . 12041 1 153 . 1 . 1 15 15 ILE HA H 1 4.451 0.012 12 1 . . . . . 15 ILE HA . 12041 1 154 . 1 . 1 15 15 ILE HB H 1 1.425 0.014 8 1 . . . . . 15 ILE HB . 12041 1 155 . 1 . 1 15 15 ILE HD11 H 1 0.579 0.004 9 1 . . . . . 15 ILE HD1# . 12041 1 156 . 1 . 1 15 15 ILE HD12 H 1 0.579 0.004 9 1 . . . . . 15 ILE HD1# . 12041 1 157 . 1 . 1 15 15 ILE HD13 H 1 0.579 0.004 9 1 . . . . . 15 ILE HD1# . 12041 1 158 . 1 . 1 15 15 ILE HG12 H 1 0.948 0.002 6 2 . . . . . 15 ILE HG1# . 12041 1 159 . 1 . 1 15 15 ILE HG13 H 1 0.948 0.002 6 2 . . . . . 15 ILE HG1# . 12041 1 160 . 1 . 1 15 15 ILE CA C 13 58.018 0.030 5 1 . . . . . 15 ILE CA . 12041 1 161 . 1 . 1 15 15 ILE CB C 13 38.773 0.079 4 1 . . . . . 15 ILE CB . 12041 1 162 . 1 . 1 15 15 ILE CD1 C 13 15.607 0.000 1 1 . . . . . 15 ILE CD . 12041 1 163 . 1 . 1 15 15 ILE CG1 C 13 29.711 0.150 6 1 . . . . . 15 ILE CG1 . 12041 1 164 . 1 . 1 15 15 ILE CG2 C 13 18.764 0.000 1 1 . . . . . 15 ILE CG2 . 12041 1 165 . 1 . 1 15 15 ILE N N 15 116.495 0.196 27 1 . . . . . 15 ILE N . 12041 1 166 . 1 . 1 16 16 ARG H H 1 7.536 0.006 30 1 . . . . . 16 ARG HN . 12041 1 167 . 1 . 1 16 16 ARG HA H 1 3.768 0.019 15 1 . . . . . 16 ARG HA . 12041 1 168 . 1 . 1 16 16 ARG HB2 H 1 1.711 0.009 4 2 . . . . . 16 ARG HB2 . 12041 1 169 . 1 . 1 16 16 ARG HB3 H 1 1.673 0.000 1 2 . . . . . 16 ARG HB3 . 12041 1 170 . 1 . 1 16 16 ARG HD2 H 1 3.034 0.014 9 2 . . . . . 16 ARG HD2 . 12041 1 171 . 1 . 1 16 16 ARG HD3 H 1 2.970 0.015 8 2 . . . . . 16 ARG HD3 . 12041 1 172 . 1 . 1 16 16 ARG HE H 1 8.478 0.006 4 1 . . . . . 16 ARG HE . 12041 1 173 . 1 . 1 16 16 ARG HG2 H 1 1.537 0.010 10 2 . . . . . 16 ARG HG# . 12041 1 174 . 1 . 1 16 16 ARG HG3 H 1 1.537 0.010 10 2 . . . . . 16 ARG HG# . 12041 1 175 . 1 . 1 16 16 ARG CA C 13 57.894 0.020 4 1 . . . . . 16 ARG CA . 12041 1 176 . 1 . 1 16 16 ARG CB C 13 31.147 0.094 5 1 . . . . . 16 ARG CB . 12041 1 177 . 1 . 1 16 16 ARG CD C 13 43.813 0.027 13 1 . . . . . 16 ARG CD . 12041 1 178 . 1 . 1 16 16 ARG CG C 13 27.262 0.190 4 1 . . . . . 16 ARG CG . 12041 1 179 . 1 . 1 16 16 ARG N N 15 121.880 0.127 28 1 . . . . . 16 ARG N . 12041 1 180 . 1 . 1 16 16 ARG NE N 15 121.399 0.123 3 1 . . . . . 16 ARG NE . 12041 1 181 . 1 . 1 17 17 ASN H H 1 6.791 0.008 34 1 . . . . . 17 ASN HN . 12041 1 182 . 1 . 1 17 17 ASN HA H 1 4.472 0.015 10 1 . . . . . 17 ASN HA . 12041 1 183 . 1 . 1 17 17 ASN HB2 H 1 2.866 0.015 3 2 . . . . . 17 ASN HB2 . 12041 1 184 . 1 . 1 17 17 ASN HB3 H 1 2.820 0.002 2 2 . . . . . 17 ASN HB3 . 12041 1 185 . 1 . 1 17 17 ASN HD21 H 1 8.004 0.087 11 2 . . . . . 17 ASN HD21 . 12041 1 186 . 1 . 1 17 17 ASN HD22 H 1 7.308 0.477 3 2 . . . . . 17 ASN HD22 . 12041 1 187 . 1 . 1 17 17 ASN CA C 13 53.488 0.022 3 1 . . . . . 17 ASN CA . 12041 1 188 . 1 . 1 17 17 ASN CB C 13 39.240 0.089 3 1 . . . . . 17 ASN CB . 12041 1 189 . 1 . 1 17 17 ASN N N 15 117.386 0.177 28 1 . . . . . 17 ASN N . 12041 1 190 . 1 . 1 17 17 ASN ND2 N 15 113.676 0.028 7 1 . . . . . 17 ASN ND2 . 12041 1 191 . 1 . 1 18 18 GLU H H 1 9.079 0.007 23 1 . . . . . 18 GLU HN . 12041 1 192 . 1 . 1 18 18 GLU HA H 1 4.025 0.018 15 1 . . . . . 18 GLU HA . 12041 1 193 . 1 . 1 18 18 GLU HB2 H 1 2.126 0.000 3 2 . . . . . 18 GLU HB2 . 12041 1 194 . 1 . 1 18 18 GLU HB3 H 1 2.061 0.017 6 2 . . . . . 18 GLU HB3 . 12041 1 195 . 1 . 1 18 18 GLU HG2 H 1 2.445 0.019 12 2 . . . . . 18 GLU HG# . 12041 1 196 . 1 . 1 18 18 GLU HG3 H 1 2.445 0.019 12 2 . . . . . 18 GLU HG# . 12041 1 197 . 1 . 1 18 18 GLU CA C 13 59.246 0.067 6 1 . . . . . 18 GLU CA . 12041 1 198 . 1 . 1 18 18 GLU CB C 13 29.678 0.202 6 1 . . . . . 18 GLU CB . 12041 1 199 . 1 . 1 18 18 GLU CG C 13 36.363 0.141 5 1 . . . . . 18 GLU CG . 12041 1 200 . 1 . 1 18 18 GLU N N 15 122.627 0.161 19 1 . . . . . 18 GLU N . 12041 1 201 . 1 . 1 19 19 GLU H H 1 8.685 0.008 25 1 . . . . . 19 GLU HN . 12041 1 202 . 1 . 1 19 19 GLU HA H 1 4.249 0.011 5 1 . . . . . 19 GLU HA . 12041 1 203 . 1 . 1 19 19 GLU HB2 H 1 2.099 0.142 6 2 . . . . . 19 GLU HB# . 12041 1 204 . 1 . 1 19 19 GLU HB3 H 1 2.099 0.142 6 2 . . . . . 19 GLU HB# . 12041 1 205 . 1 . 1 19 19 GLU HG2 H 1 2.496 0.271 3 2 . . . . . 19 GLU HG# . 12041 1 206 . 1 . 1 19 19 GLU HG3 H 1 2.496 0.271 3 2 . . . . . 19 GLU HG# . 12041 1 207 . 1 . 1 19 19 GLU CA C 13 55.894 0.000 1 1 . . . . . 19 GLU CA . 12041 1 208 . 1 . 1 19 19 GLU CB C 13 27.246 0.000 1 1 . . . . . 19 GLU CB . 12041 1 209 . 1 . 1 19 19 GLU CG C 13 35.974 0.000 1 1 . . . . . 19 GLU CG . 12041 1 210 . 1 . 1 19 19 GLU N N 15 117.956 0.143 20 1 . . . . . 19 GLU N . 12041 1 211 . 1 . 1 20 20 TYR H H 1 7.167 0.009 23 1 . . . . . 20 TYR HN . 12041 1 212 . 1 . 1 20 20 TYR HA H 1 4.241 0.010 9 1 . . . . . 20 TYR HA . 12041 1 213 . 1 . 1 20 20 TYR HB2 H 1 3.586 0.005 10 2 . . . . . 20 TYR HB2 . 12041 1 214 . 1 . 1 20 20 TYR HB3 H 1 2.667 0.014 11 2 . . . . . 20 TYR HB3 . 12041 1 215 . 1 . 1 20 20 TYR HD1 H 1 6.672 0.017 4 3 . . . . . 20 TYR HD# . 12041 1 216 . 1 . 1 20 20 TYR HD2 H 1 6.672 0.017 4 3 . . . . . 20 TYR HD# . 12041 1 217 . 1 . 1 20 20 TYR HE1 H 1 6.143 0.081 11 3 . . . . . 20 TYR HE# . 12041 1 218 . 1 . 1 20 20 TYR HE2 H 1 6.143 0.081 11 3 . . . . . 20 TYR HE# . 12041 1 219 . 1 . 1 20 20 TYR CA C 13 60.148 0.048 6 1 . . . . . 20 TYR CA . 12041 1 220 . 1 . 1 20 20 TYR CB C 13 37.334 0.076 6 1 . . . . . 20 TYR CB . 12041 1 221 . 1 . 1 20 20 TYR N N 15 117.630 0.174 19 1 . . . . . 20 TYR N . 12041 1 222 . 1 . 1 21 21 ALA H H 1 6.776 0.008 25 1 . . . . . 21 ALA HN . 12041 1 223 . 1 . 1 21 21 ALA HA H 1 3.475 0.007 12 1 . . . . . 21 ALA HA . 12041 1 224 . 1 . 1 21 21 ALA HB1 H 1 0.793 0.006 7 1 . . . . . 21 ALA HB# . 12041 1 225 . 1 . 1 21 21 ALA HB2 H 1 0.793 0.006 7 1 . . . . . 21 ALA HB# . 12041 1 226 . 1 . 1 21 21 ALA HB3 H 1 0.793 0.006 7 1 . . . . . 21 ALA HB# . 12041 1 227 . 1 . 1 21 21 ALA CA C 13 53.840 0.035 6 1 . . . . . 21 ALA CA . 12041 1 228 . 1 . 1 21 21 ALA CB C 13 18.039 0.158 5 1 . . . . . 21 ALA CB . 12041 1 229 . 1 . 1 21 21 ALA N N 15 120.032 0.137 21 1 . . . . . 21 ALA N . 12041 1 230 . 1 . 1 22 22 THR H H 1 7.219 0.006 22 1 . . . . . 22 THR HN . 12041 1 231 . 1 . 1 22 22 THR HA H 1 4.350 0.113 3 1 . . . . . 22 THR HA . 12041 1 232 . 1 . 1 22 22 THR HB H 1 4.278 0.008 5 1 . . . . . 22 THR HB . 12041 1 233 . 1 . 1 22 22 THR HG1 H 1 4.842 0.001 3 1 . . . . . 22 THR HG1 . 12041 1 234 . 1 . 1 22 22 THR HG21 H 1 0.974 0.017 6 1 . . . . . 22 THR HG2 . 12041 1 235 . 1 . 1 22 22 THR HG22 H 1 0.974 0.017 6 1 . . . . . 22 THR HG2 . 12041 1 236 . 1 . 1 22 22 THR HG23 H 1 0.974 0.017 6 1 . . . . . 22 THR HG2 . 12041 1 237 . 1 . 1 22 22 THR CA C 13 59.325 0.000 1 1 . . . . . 22 THR CA . 12041 1 238 . 1 . 1 22 22 THR CB C 13 67.989 0.135 3 1 . . . . . 22 THR CB . 12041 1 239 . 1 . 1 22 22 THR CG2 C 13 20.903 0.000 1 1 . . . . . 22 THR CG . 12041 1 240 . 1 . 1 22 22 THR N N 15 103.679 0.505 20 1 . . . . . 22 THR N . 12041 1 241 . 1 . 1 23 23 ASP H H 1 7.215 0.009 26 1 . . . . . 23 ASP HN . 12041 1 242 . 1 . 1 23 23 ASP HA H 1 4.483 0.008 11 1 . . . . . 23 ASP HA . 12041 1 243 . 1 . 1 23 23 ASP HB2 H 1 3.152 0.006 12 2 . . . . . 23 ASP HB2 . 12041 1 244 . 1 . 1 23 23 ASP HB3 H 1 2.527 0.019 7 2 . . . . . 23 ASP HB3 . 12041 1 245 . 1 . 1 23 23 ASP CA C 13 53.535 0.005 3 1 . . . . . 23 ASP CA . 12041 1 246 . 1 . 1 23 23 ASP CB C 13 41.316 0.000 1 1 . . . . . 23 ASP CB . 12041 1 247 . 1 . 1 23 23 ASP N N 15 122.890 0.137 22 1 . . . . . 23 ASP N . 12041 1 248 . 1 . 1 24 24 ASP H H 1 8.717 0.007 29 1 . . . . . 24 ASP HN . 12041 1 249 . 1 . 1 24 24 ASP HA H 1 4.253 0.011 9 1 . . . . . 24 ASP HA . 12041 1 250 . 1 . 1 24 24 ASP HB2 H 1 2.573 0.015 8 2 . . . . . 24 ASP HB# . 12041 1 251 . 1 . 1 24 24 ASP HB3 H 1 2.573 0.015 8 2 . . . . . 24 ASP HB# . 12041 1 252 . 1 . 1 24 24 ASP CA C 13 57.159 0.027 3 1 . . . . . 24 ASP CA . 12041 1 253 . 1 . 1 24 24 ASP CB C 13 40.797 0.000 1 1 . . . . . 24 ASP CB . 12041 1 254 . 1 . 1 24 24 ASP N N 15 127.025 0.255 24 1 . . . . . 24 ASP N . 12041 1 255 . 1 . 1 25 25 LEU H H 1 8.154 0.006 26 1 . . . . . 25 LEU HN . 12041 1 256 . 1 . 1 25 25 LEU HA H 1 4.107 0.007 12 1 . . . . . 25 LEU HA . 12041 1 257 . 1 . 1 25 25 LEU HB2 H 1 1.683 0.016 6 2 . . . . . 25 LEU HB# . 12041 1 258 . 1 . 1 25 25 LEU HB3 H 1 1.683 0.016 6 2 . . . . . 25 LEU HB# . 12041 1 259 . 1 . 1 25 25 LEU HD11 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1 260 . 1 . 1 25 25 LEU HD12 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1 261 . 1 . 1 25 25 LEU HD13 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1 262 . 1 . 1 25 25 LEU HD21 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1 263 . 1 . 1 25 25 LEU HD22 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1 264 . 1 . 1 25 25 LEU HD23 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1 265 . 1 . 1 25 25 LEU CA C 13 58.510 0.013 5 1 . . . . . 25 LEU CA . 12041 1 266 . 1 . 1 25 25 LEU CB C 13 40.985 0.000 1 1 . . . . . 25 LEU CB . 12041 1 267 . 1 . 1 25 25 LEU CD1 C 13 24.557 0.000 1 2 . . . . . 25 LEU CD# . 12041 1 268 . 1 . 1 25 25 LEU CD2 C 13 24.557 0.000 1 2 . . . . . 25 LEU CD# . 12041 1 269 . 1 . 1 25 25 LEU CG C 13 27.564 0.000 1 1 . . . . . 25 LEU CG . 12041 1 270 . 1 . 1 25 25 LEU N N 15 121.085 0.122 23 1 . . . . . 25 LEU N . 12041 1 271 . 1 . 1 26 26 LEU H H 1 7.550 0.008 30 1 . . . . . 26 LEU HN . 12041 1 272 . 1 . 1 26 26 LEU HA H 1 3.994 0.009 10 1 . . . . . 26 LEU HA . 12041 1 273 . 1 . 1 26 26 LEU HB2 H 1 2.008 0.010 9 2 . . . . . 26 LEU HB2 . 12041 1 274 . 1 . 1 26 26 LEU HB3 H 1 1.612 0.018 5 2 . . . . . 26 LEU HB3 . 12041 1 275 . 1 . 1 26 26 LEU HD11 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1 276 . 1 . 1 26 26 LEU HD12 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1 277 . 1 . 1 26 26 LEU HD13 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1 278 . 1 . 1 26 26 LEU HD21 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1 279 . 1 . 1 26 26 LEU HD22 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1 280 . 1 . 1 26 26 LEU HD23 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1 281 . 1 . 1 26 26 LEU HG H 1 1.020 0.007 2 1 . . . . . 26 LEU HG . 12041 1 282 . 1 . 1 26 26 LEU CA C 13 57.371 0.053 6 1 . . . . . 26 LEU CA . 12041 1 283 . 1 . 1 26 26 LEU CB C 13 41.757 0.031 2 1 . . . . . 26 LEU CB . 12041 1 284 . 1 . 1 26 26 LEU CG C 13 25.729 0.000 1 1 . . . . . 26 LEU CG . 12041 1 285 . 1 . 1 26 26 LEU N N 15 119.492 0.141 24 1 . . . . . 26 LEU N . 12041 1 286 . 1 . 1 27 27 LEU H H 1 7.888 0.008 33 1 . . . . . 27 LEU HN . 12041 1 287 . 1 . 1 27 27 LEU HA H 1 3.804 0.004 8 1 . . . . . 27 LEU HA . 12041 1 288 . 1 . 1 27 27 LEU HB2 H 1 1.716 0.009 7 2 . . . . . 27 LEU HB2 . 12041 1 289 . 1 . 1 27 27 LEU HB3 H 1 1.368 0.016 6 2 . . . . . 27 LEU HB3 . 12041 1 290 . 1 . 1 27 27 LEU HD11 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1 291 . 1 . 1 27 27 LEU HD12 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1 292 . 1 . 1 27 27 LEU HD13 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1 293 . 1 . 1 27 27 LEU HD21 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1 294 . 1 . 1 27 27 LEU HD22 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1 295 . 1 . 1 27 27 LEU HD23 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1 296 . 1 . 1 27 27 LEU CA C 13 58.312 0.000 1 1 . . . . . 27 LEU CA . 12041 1 297 . 1 . 1 27 27 LEU CB C 13 41.095 0.000 1 1 . . . . . 27 LEU CB . 12041 1 298 . 1 . 1 27 27 LEU CD1 C 13 24.176 0.000 1 2 . . . . . 27 LEU CD# . 12041 1 299 . 1 . 1 27 27 LEU CD2 C 13 24.176 0.000 1 2 . . . . . 27 LEU CD# . 12041 1 300 . 1 . 1 27 27 LEU CG C 13 27.071 0.000 1 1 . . . . . 27 LEU CG . 12041 1 301 . 1 . 1 27 27 LEU N N 15 118.038 0.154 28 1 . . . . . 27 LEU N . 12041 1 302 . 1 . 1 28 28 ASN H H 1 8.261 0.007 33 1 . . . . . 28 ASN HN . 12041 1 303 . 1 . 1 28 28 ASN HA H 1 4.489 0.011 8 1 . . . . . 28 ASN HA . 12041 1 304 . 1 . 1 28 28 ASN HB2 H 1 2.957 0.021 5 2 . . . . . 28 ASN HB2 . 12041 1 305 . 1 . 1 28 28 ASN HB3 H 1 2.863 0.009 4 2 . . . . . 28 ASN HB3 . 12041 1 306 . 1 . 1 28 28 ASN HD21 H 1 7.641 0.004 12 2 . . . . . 28 ASN HD21 . 12041 1 307 . 1 . 1 28 28 ASN HD22 H 1 6.979 0.010 6 2 . . . . . 28 ASN HD22 . 12041 1 308 . 1 . 1 28 28 ASN CA C 13 55.848 0.000 1 1 . . . . . 28 ASN CA . 12041 1 309 . 1 . 1 28 28 ASN CB C 13 38.123 0.130 8 1 . . . . . 28 ASN CB . 12041 1 310 . 1 . 1 28 28 ASN N N 15 118.345 0.165 28 1 . . . . . 28 ASN N . 12041 1 311 . 1 . 1 28 28 ASN ND2 N 15 113.401 0.109 14 1 . . . . . 28 ASN ND . 12041 1 312 . 1 . 1 29 29 CYS H H 1 8.109 0.007 26 1 . . . . . 29 CYS HN . 12041 1 313 . 1 . 1 29 29 CYS HA H 1 4.376 0.010 10 1 . . . . . 29 CYS HA . 12041 1 314 . 1 . 1 29 29 CYS HB2 H 1 3.335 0.006 13 2 . . . . . 29 CYS HB2 . 12041 1 315 . 1 . 1 29 29 CYS HB3 H 1 2.939 0.012 13 2 . . . . . 29 CYS HB3 . 12041 1 316 . 1 . 1 29 29 CYS CA C 13 62.797 0.035 5 1 . . . . . 29 CYS CA . 12041 1 317 . 1 . 1 29 29 CYS CB C 13 26.931 0.030 9 1 . . . . . 29 CYS CB . 12041 1 318 . 1 . 1 29 29 CYS N N 15 119.659 0.121 21 1 . . . . . 29 CYS N . 12041 1 319 . 1 . 1 30 30 LEU H H 1 7.287 0.011 28 1 . . . . . 30 LEU HN . 12041 1 320 . 1 . 1 30 30 LEU HA H 1 4.488 0.008 8 1 . . . . . 30 LEU HA . 12041 1 321 . 1 . 1 30 30 LEU HB2 H 1 2.028 0.014 9 2 . . . . . 30 LEU HB2 . 12041 1 322 . 1 . 1 30 30 LEU HB3 H 1 1.457 0.010 8 2 . . . . . 30 LEU HB3 . 12041 1 323 . 1 . 1 30 30 LEU HD11 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1 324 . 1 . 1 30 30 LEU HD12 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1 325 . 1 . 1 30 30 LEU HD13 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1 326 . 1 . 1 30 30 LEU HD21 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1 327 . 1 . 1 30 30 LEU HD22 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1 328 . 1 . 1 30 30 LEU HD23 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1 329 . 1 . 1 30 30 LEU HG H 1 1.642 0.013 6 1 . . . . . 30 LEU HG . 12041 1 330 . 1 . 1 30 30 LEU CA C 13 54.653 0.031 5 1 . . . . . 30 LEU CA . 12041 1 331 . 1 . 1 30 30 LEU CB C 13 41.367 0.000 1 1 . . . . . 30 LEU CB . 12041 1 332 . 1 . 1 30 30 LEU CD1 C 13 25.974 0.244 2 2 . . . . . 30 LEU CD# . 12041 1 333 . 1 . 1 30 30 LEU CD2 C 13 25.974 0.244 2 2 . . . . . 30 LEU CD# . 12041 1 334 . 1 . 1 30 30 LEU CG C 13 28.873 0.000 1 1 . . . . . 30 LEU CG . 12041 1 335 . 1 . 1 30 30 LEU N N 15 118.505 0.133 22 1 . . . . . 30 LEU N . 12041 1 336 . 1 . 1 31 31 SER H H 1 7.521 0.008 31 1 . . . . . 31 SER HN . 12041 1 337 . 1 . 1 31 31 SER HA H 1 4.493 0.005 6 1 . . . . . 31 SER HA . 12041 1 338 . 1 . 1 31 31 SER HB2 H 1 4.026 0.007 4 2 . . . . . 31 SER HB# . 12041 1 339 . 1 . 1 31 31 SER HB3 H 1 4.026 0.007 4 2 . . . . . 31 SER HB# . 12041 1 340 . 1 . 1 31 31 SER HG H 1 4.839 0.002 7 1 . . . . . 31 SER HG . 12041 1 341 . 1 . 1 31 31 SER N N 15 115.982 0.218 27 1 . . . . . 31 SER N . 12041 1 342 . 1 . 1 32 32 LYS H H 1 8.519 0.006 19 1 . . . . . 32 LYS HN . 12041 1 343 . 1 . 1 32 32 LYS HA H 1 4.213 0.007 10 1 . . . . . 32 LYS HA . 12041 1 344 . 1 . 1 32 32 LYS HB2 H 1 1.884 0.014 3 2 . . . . . 32 LYS HB2 . 12041 1 345 . 1 . 1 32 32 LYS HB3 H 1 1.787 0.013 7 2 . . . . . 32 LYS HB3 . 12041 1 346 . 1 . 1 32 32 LYS HD2 H 1 1.707 0.002 2 2 . . . . . 32 LYS HD# . 12041 1 347 . 1 . 1 32 32 LYS HD3 H 1 1.707 0.002 2 2 . . . . . 32 LYS HD# . 12041 1 348 . 1 . 1 32 32 LYS HE2 H 1 2.982 0.016 3 2 . . . . . 32 LYS HE# . 12041 1 349 . 1 . 1 32 32 LYS HE3 H 1 2.982 0.016 3 2 . . . . . 32 LYS HE# . 12041 1 350 . 1 . 1 32 32 LYS HG2 H 1 1.450 0.006 4 2 . . . . . 32 LYS HG# . 12041 1 351 . 1 . 1 32 32 LYS HG3 H 1 1.450 0.006 4 2 . . . . . 32 LYS HG# . 12041 1 352 . 1 . 1 32 32 LYS HZ1 H 1 8.210 0.004 7 1 . . . . . 32 LYS HZ . 12041 1 353 . 1 . 1 32 32 LYS HZ2 H 1 8.210 0.004 7 1 . . . . . 32 LYS HZ . 12041 1 354 . 1 . 1 32 32 LYS HZ3 H 1 8.210 0.004 7 1 . . . . . 32 LYS HZ . 12041 1 355 . 1 . 1 32 32 LYS CA C 13 57.163 0.004 4 1 . . . . . 32 LYS CA . 12041 1 356 . 1 . 1 32 32 LYS CB C 13 31.600 0.118 5 1 . . . . . 32 LYS CB . 12041 1 357 . 1 . 1 32 32 LYS CD C 13 28.633 0.000 1 1 . . . . . 32 LYS CD . 12041 1 358 . 1 . 1 32 32 LYS CE C 13 41.729 0.000 1 1 . . . . . 32 LYS CE . 12041 1 359 . 1 . 1 32 32 LYS CG C 13 24.746 0.000 1 1 . . . . . 32 LYS CG . 12041 1 360 . 1 . 1 32 32 LYS N N 15 119.142 0.062 15 1 . . . . . 32 LYS N . 12041 1 361 . 1 . 1 32 32 LYS NZ N 15 120.012 0.095 6 1 . . . . . 32 LYS NZ . 12041 1 362 . 1 . 1 33 33 ILE H H 1 7.787 0.009 32 1 . . . . . 33 ILE HN . 12041 1 363 . 1 . 1 33 33 ILE HA H 1 3.946 0.010 14 1 . . . . . 33 ILE HA . 12041 1 364 . 1 . 1 33 33 ILE HB H 1 1.981 0.007 8 1 . . . . . 33 ILE HB . 12041 1 365 . 1 . 1 33 33 ILE HD11 H 1 0.586 0.129 13 1 . . . . . 33 ILE HD1# . 12041 1 366 . 1 . 1 33 33 ILE HD12 H 1 0.586 0.129 13 1 . . . . . 33 ILE HD1# . 12041 1 367 . 1 . 1 33 33 ILE HD13 H 1 0.586 0.129 13 1 . . . . . 33 ILE HD1# . 12041 1 368 . 1 . 1 33 33 ILE HG12 H 1 1.330 0.004 4 2 . . . . . 33 ILE HG12 . 12041 1 369 . 1 . 1 33 33 ILE HG13 H 1 1.226 0.021 3 2 . . . . . 33 ILE HG13 . 12041 1 370 . 1 . 1 33 33 ILE HG21 H 1 0.843 0.014 5 1 . . . . . 33 ILE HG2# . 12041 1 371 . 1 . 1 33 33 ILE HG22 H 1 0.843 0.014 5 1 . . . . . 33 ILE HG2# . 12041 1 372 . 1 . 1 33 33 ILE HG23 H 1 0.843 0.014 5 1 . . . . . 33 ILE HG2# . 12041 1 373 . 1 . 1 33 33 ILE CA C 13 61.290 0.063 6 1 . . . . . 33 ILE CA . 12041 1 374 . 1 . 1 33 33 ILE CB C 13 37.894 0.086 2 1 . . . . . 33 ILE CB . 12041 1 375 . 1 . 1 33 33 ILE CG1 C 13 27.889 0.024 6 1 . . . . . 33 ILE CG1 . 12041 1 376 . 1 . 1 33 33 ILE CG2 C 13 17.510 0.091 6 1 . . . . . 33 ILE CG2 . 12041 1 377 . 1 . 1 33 33 ILE N N 15 120.487 0.139 27 1 . . . . . 33 ILE N . 12041 1 378 . 1 . 1 34 34 GLY H H 1 7.453 0.007 30 1 . . . . . 34 GLY HN . 12041 1 379 . 1 . 1 34 34 GLY HA2 H 1 4.080 0.013 8 2 . . . . . 34 GLY HA2 . 12041 1 380 . 1 . 1 34 34 GLY HA3 H 1 3.879 0.015 8 2 . . . . . 34 GLY HA3 . 12041 1 381 . 1 . 1 34 34 GLY CA C 13 44.536 0.042 5 1 . . . . . 34 GLY CA . 12041 1 382 . 1 . 1 34 34 GLY N N 15 107.390 0.475 27 1 . . . . . 34 GLY N . 12041 1 383 . 1 . 1 35 35 ASP H H 1 8.167 0.007 23 1 . . . . . 35 ASP HN . 12041 1 384 . 1 . 1 35 35 ASP HA H 1 5.298 0.009 17 1 . . . . . 35 ASP HA . 12041 1 385 . 1 . 1 35 35 ASP HB2 H 1 3.071 0.049 8 2 . . . . . 35 ASP HB2 . 12041 1 386 . 1 . 1 35 35 ASP HB3 H 1 2.462 0.016 10 2 . . . . . 35 ASP HB3 . 12041 1 387 . 1 . 1 35 35 ASP CA C 13 55.292 0.017 3 1 . . . . . 35 ASP CA . 12041 1 388 . 1 . 1 35 35 ASP CB C 13 43.626 0.168 6 1 . . . . . 35 ASP CB . 12041 1 389 . 1 . 1 35 35 ASP N N 15 112.532 0.203 20 1 . . . . . 35 ASP N . 12041 1 390 . 1 . 1 36 36 THR H H 1 7.960 0.008 24 1 . . . . . 36 THR HN . 12041 1 391 . 1 . 1 36 36 THR HA H 1 4.752 0.098 3 1 . . . . . 36 THR HA . 12041 1 392 . 1 . 1 36 36 THR HB H 1 4.126 0.013 12 1 . . . . . 36 THR HB . 12041 1 393 . 1 . 1 36 36 THR HG1 H 1 4.841 0.000 1 1 . . . . . 36 THR HG1 . 12041 1 394 . 1 . 1 36 36 THR HG21 H 1 1.132 0.007 11 1 . . . . . 36 THR HG2# . 12041 1 395 . 1 . 1 36 36 THR HG22 H 1 1.132 0.007 11 1 . . . . . 36 THR HG2# . 12041 1 396 . 1 . 1 36 36 THR HG23 H 1 1.132 0.007 11 1 . . . . . 36 THR HG2# . 12041 1 397 . 1 . 1 36 36 THR CB C 13 69.907 0.431 7 1 . . . . . 36 THR CB . 12041 1 398 . 1 . 1 36 36 THR N N 15 113.537 0.223 21 1 . . . . . 36 THR N . 12041 1 399 . 1 . 1 37 37 PRO HA H 1 4.610 0.016 12 1 . . . . . 37 PRO HA . 12041 1 400 . 1 . 1 37 37 PRO HB2 H 1 2.404 0.010 11 2 . . . . . 37 PRO HB2 . 12041 1 401 . 1 . 1 37 37 PRO HB3 H 1 2.106 0.014 6 2 . . . . . 37 PRO HB3 . 12041 1 402 . 1 . 1 37 37 PRO HD2 H 1 3.588 0.010 5 2 . . . . . 37 PRO HD# . 12041 1 403 . 1 . 1 37 37 PRO HD3 H 1 3.588 0.010 5 2 . . . . . 37 PRO HD# . 12041 1 404 . 1 . 1 37 37 PRO HG2 H 1 1.947 0.004 6 2 . . . . . 37 PRO HG2 . 12041 1 405 . 1 . 1 37 37 PRO HG3 H 1 1.817 0.009 6 2 . . . . . 37 PRO HG3 . 12041 1 406 . 1 . 1 37 37 PRO CA C 13 62.331 0.144 6 1 . . . . . 37 PRO CA . 12041 1 407 . 1 . 1 37 37 PRO CB C 13 33.796 0.097 5 1 . . . . . 37 PRO CB . 12041 1 408 . 1 . 1 37 37 PRO CD C 13 50.036 0.000 1 1 . . . . . 37 PRO CD . 12041 1 409 . 1 . 1 37 37 PRO CG C 13 25.387 0.076 11 1 . . . . . 37 PRO CG . 12041 1 410 . 1 . 1 38 38 GLU H H 1 8.425 0.007 23 1 . . . . . 38 GLU HN . 12041 1 411 . 1 . 1 38 38 GLU HA H 1 4.146 0.007 2 1 . . . . . 38 GLU HA . 12041 1 412 . 1 . 1 38 38 GLU N N 15 120.935 0.142 22 1 . . . . . 38 GLU N . 12041 1 413 . 1 . 1 39 39 GLU HA H 1 4.131 0.021 6 1 . . . . . 39 GLU HA . 12041 1 414 . 1 . 1 39 39 GLU HB2 H 1 0.896 0.003 3 2 . . . . . 39 GLU HB2 . 12041 1 415 . 1 . 1 39 39 GLU HB3 H 1 0.600 0.018 7 2 . . . . . 39 GLU HB3 . 12041 1 416 . 1 . 1 39 39 GLU CA C 13 54.088 0.014 3 1 . . . . . 39 GLU CA . 12041 1 417 . 1 . 1 39 39 GLU CB C 13 30.982 0.000 1 1 . . . . . 39 GLU CB . 12041 1 418 . 1 . 1 39 39 GLU CG C 13 33.451 0.000 1 1 . . . . . 39 GLU CG . 12041 1 419 . 1 . 1 40 40 ASP H H 1 8.809 0.008 23 1 . . . . . 40 ASP HN . 12041 1 420 . 1 . 1 40 40 ASP HA H 1 4.179 0.009 9 1 . . . . . 40 ASP HA . 12041 1 421 . 1 . 1 40 40 ASP HB2 H 1 3.249 0.008 12 2 . . . . . 40 ASP HB2 . 12041 1 422 . 1 . 1 40 40 ASP HB3 H 1 2.439 0.011 12 2 . . . . . 40 ASP HB3 . 12041 1 423 . 1 . 1 40 40 ASP CA C 13 54.482 0.019 4 1 . . . . . 40 ASP CA . 12041 1 424 . 1 . 1 40 40 ASP CB C 13 41.320 0.064 7 1 . . . . . 40 ASP CB . 12041 1 425 . 1 . 1 40 40 ASP N N 15 125.248 0.248 19 1 . . . . . 40 ASP N . 12041 1 426 . 1 . 1 41 41 GLY H H 1 8.486 0.007 24 1 . . . . . 41 GLY HN . 12041 1 427 . 1 . 1 41 41 GLY HA2 H 1 3.978 0.010 9 2 . . . . . 41 GLY HA2 . 12041 1 428 . 1 . 1 41 41 GLY HA3 H 1 3.552 0.015 12 2 . . . . . 41 GLY HA3 . 12041 1 429 . 1 . 1 41 41 GLY CA C 13 44.967 0.243 7 1 . . . . . 41 GLY CA . 12041 1 430 . 1 . 1 41 41 GLY N N 15 130.915 0.334 21 1 . . . . . 41 GLY N . 12041 1 431 . 1 . 1 42 42 LEU H H 1 8.020 0.006 26 1 . . . . . 42 LEU HN . 12041 1 432 . 1 . 1 42 42 LEU HA H 1 4.144 0.020 2 1 . . . . . 42 LEU HA . 12041 1 433 . 1 . 1 42 42 LEU HB2 H 1 2.082 0.009 3 2 . . . . . 42 LEU HB2 . 12041 1 434 . 1 . 1 42 42 LEU HB3 H 1 1.744 0.002 2 2 . . . . . 42 LEU HB3 . 12041 1 435 . 1 . 1 42 42 LEU HD11 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1 436 . 1 . 1 42 42 LEU HD12 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1 437 . 1 . 1 42 42 LEU HD13 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1 438 . 1 . 1 42 42 LEU HD21 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1 439 . 1 . 1 42 42 LEU HD22 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1 440 . 1 . 1 42 42 LEU HD23 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1 441 . 1 . 1 42 42 LEU HG H 1 1.343 0.002 2 1 . . . . . 42 LEU HG . 12041 1 442 . 1 . 1 42 42 LEU N N 15 121.904 0.118 22 1 . . . . . 42 LEU N . 12041 1 443 . 1 . 1 43 43 PRO HA H 1 4.495 0.004 9 1 . . . . . 43 PRO HA . 12041 1 444 . 1 . 1 43 43 PRO HB2 H 1 2.374 0.006 6 2 . . . . . 43 PRO HB2 . 12041 1 445 . 1 . 1 43 43 PRO HB3 H 1 2.054 0.012 8 2 . . . . . 43 PRO HB3 . 12041 1 446 . 1 . 1 43 43 PRO HD2 H 1 3.986 0.000 1 2 . . . . . 43 PRO HD2 . 12041 1 447 . 1 . 1 43 43 PRO HD3 H 1 3.482 0.030 3 2 . . . . . 43 PRO HD3 . 12041 1 448 . 1 . 1 43 43 PRO CA C 13 62.638 0.020 5 1 . . . . . 43 PRO CA . 12041 1 449 . 1 . 1 43 43 PRO CB C 13 32.679 0.263 3 1 . . . . . 43 PRO CB . 12041 1 450 . 1 . 1 44 44 LEU H H 1 8.193 0.007 29 1 . . . . . 44 LEU HN . 12041 1 451 . 1 . 1 44 44 LEU HA H 1 4.088 0.008 10 1 . . . . . 44 LEU HA . 12041 1 452 . 1 . 1 44 44 LEU HB2 H 1 2.059 0.010 4 2 . . . . . 44 LEU HB2 . 12041 1 453 . 1 . 1 44 44 LEU HB3 H 1 1.574 0.026 9 2 . . . . . 44 LEU HB3 . 12041 1 454 . 1 . 1 44 44 LEU HD11 H 1 1.033 0.011 21 2 . . . . . 44 LEU HD1 . 12041 1 455 . 1 . 1 44 44 LEU HD12 H 1 1.033 0.011 21 2 . . . . . 44 LEU HD1 . 12041 1 456 . 1 . 1 44 44 LEU HD13 H 1 1.033 0.011 21 2 . . . . . 44 LEU HD1 . 12041 1 457 . 1 . 1 44 44 LEU HD21 H 1 0.822 0.008 8 2 . . . . . 44 LEU HD2 . 12041 1 458 . 1 . 1 44 44 LEU HD22 H 1 0.822 0.008 8 2 . . . . . 44 LEU HD2 . 12041 1 459 . 1 . 1 44 44 LEU HD23 H 1 0.822 0.008 8 2 . . . . . 44 LEU HD2 . 12041 1 460 . 1 . 1 44 44 LEU HG H 1 1.379 0.013 8 1 . . . . . 44 LEU HG . 12041 1 461 . 1 . 1 44 44 LEU CA C 13 59.295 0.069 5 1 . . . . . 44 LEU CA . 12041 1 462 . 1 . 1 44 44 LEU CB C 13 39.154 0.000 1 1 . . . . . 44 LEU CB . 12041 1 463 . 1 . 1 44 44 LEU CD1 C 13 22.526 0.105 12 2 . . . . . 44 LEU CD# . 12041 1 464 . 1 . 1 44 44 LEU CD2 C 13 22.526 0.105 12 2 . . . . . 44 LEU CD# . 12041 1 465 . 1 . 1 44 44 LEU CG C 13 25.707 0.000 1 1 . . . . . 44 LEU CG . 12041 1 466 . 1 . 1 44 44 LEU N N 15 124.635 0.191 26 1 . . . . . 44 LEU N . 12041 1 467 . 1 . 1 45 45 ARG H H 1 7.964 0.010 37 1 . . . . . 45 ARG HN . 12041 1 468 . 1 . 1 45 45 ARG HA H 1 3.807 0.011 14 1 . . . . . 45 ARG HA . 12041 1 469 . 1 . 1 45 45 ARG HB2 H 1 2.106 0.003 2 2 . . . . . 45 ARG HB2 . 12041 1 470 . 1 . 1 45 45 ARG HB3 H 1 1.899 0.048 4 2 . . . . . 45 ARG HB3 . 12041 1 471 . 1 . 1 45 45 ARG HD2 H 1 3.199 0.012 7 2 . . . . . 45 ARG HD2 . 12041 1 472 . 1 . 1 45 45 ARG HD3 H 1 2.785 0.008 13 2 . . . . . 45 ARG HD3 . 12041 1 473 . 1 . 1 45 45 ARG HE H 1 7.832 0.003 14 1 . . . . . 45 ARG HE . 12041 1 474 . 1 . 1 45 45 ARG HG2 H 1 1.478 0.018 3 2 . . . . . 45 ARG HG# . 12041 1 475 . 1 . 1 45 45 ARG HG3 H 1 1.478 0.018 3 2 . . . . . 45 ARG HG# . 12041 1 476 . 1 . 1 45 45 ARG CA C 13 60.591 0.051 3 1 . . . . . 45 ARG CA . 12041 1 477 . 1 . 1 45 45 ARG CB C 13 31.030 0.000 1 1 . . . . . 45 ARG CB . 12041 1 478 . 1 . 1 45 45 ARG CD C 13 44.346 0.042 7 1 . . . . . 45 ARG CD . 12041 1 479 . 1 . 1 45 45 ARG CG C 13 26.115 0.000 1 1 . . . . . 45 ARG CG . 12041 1 480 . 1 . 1 45 45 ARG N N 15 112.276 0.281 33 1 . . . . . 45 ARG N . 12041 1 481 . 1 . 1 45 45 ARG NE N 15 114.681 0.017 13 1 . . . . . 45 ARG NE . 12041 1 482 . 1 . 1 46 46 THR H H 1 6.911 0.010 33 1 . . . . . 46 THR HN . 12041 1 483 . 1 . 1 46 46 THR HA H 1 3.912 0.211 8 1 . . . . . 46 THR HA . 12041 1 484 . 1 . 1 46 46 THR HB H 1 3.810 0.008 4 1 . . . . . 46 THR HB . 12041 1 485 . 1 . 1 46 46 THR HG1 H 1 4.843 0.002 2 1 . . . . . 46 THR HG1 . 12041 1 486 . 1 . 1 46 46 THR HG21 H 1 1.340 0.009 7 1 . . . . . 46 THR HG2 . 12041 1 487 . 1 . 1 46 46 THR HG22 H 1 1.340 0.009 7 1 . . . . . 46 THR HG2 . 12041 1 488 . 1 . 1 46 46 THR HG23 H 1 1.340 0.009 7 1 . . . . . 46 THR HG2 . 12041 1 489 . 1 . 1 46 46 THR CA C 13 66.659 0.043 5 1 . . . . . 46 THR CA . 12041 1 490 . 1 . 1 46 46 THR CB C 13 68.223 0.000 1 1 . . . . . 46 THR CB . 12041 1 491 . 1 . 1 46 46 THR CG2 C 13 22.056 0.059 4 1 . . . . . 46 THR CG . 12041 1 492 . 1 . 1 46 46 THR N N 15 113.719 0.308 28 1 . . . . . 46 THR N . 12041 1 493 . 1 . 1 47 47 TRP H H 1 8.517 0.007 21 1 . . . . . 47 TRP HN . 12041 1 494 . 1 . 1 47 47 TRP HA H 1 3.916 0.023 4 1 . . . . . 47 TRP HA . 12041 1 495 . 1 . 1 47 47 TRP HB2 H 1 3.554 0.013 7 2 . . . . . 47 TRP HB2 . 12041 1 496 . 1 . 1 47 47 TRP HB3 H 1 3.220 0.014 5 2 . . . . . 47 TRP HB3 . 12041 1 497 . 1 . 1 47 47 TRP HD1 H 1 7.357 0.015 11 1 . . . . . 47 TRP HD1 . 12041 1 498 . 1 . 1 47 47 TRP HE1 H 1 10.430 0.001 17 1 . . . . . 47 TRP HE1 . 12041 1 499 . 1 . 1 47 47 TRP HZ2 H 1 7.038 0.008 2 1 . . . . . 47 TRP HZ2 . 12041 1 500 . 1 . 1 47 47 TRP CA C 13 63.091 0.000 1 1 . . . . . 47 TRP CA . 12041 1 501 . 1 . 1 47 47 TRP CB C 13 28.104 0.000 1 1 . . . . . 47 TRP CB . 12041 1 502 . 1 . 1 47 47 TRP N N 15 123.311 0.135 18 1 . . . . . 47 TRP N . 12041 1 503 . 1 . 1 47 47 TRP NE1 N 15 130.234 0.019 17 1 . . . . . 47 TRP NE1 . 12041 1 504 . 1 . 1 48 48 ILE H H 1 8.642 0.007 23 1 . . . . . 48 ILE HN . 12041 1 505 . 1 . 1 48 48 ILE HA H 1 3.002 0.014 14 1 . . . . . 48 ILE HA . 12041 1 506 . 1 . 1 48 48 ILE HB H 1 1.777 0.008 10 1 . . . . . 48 ILE HB . 12041 1 507 . 1 . 1 48 48 ILE HD11 H 1 0.138 0.001 9 1 . . . . . 48 ILE HD1# . 12041 1 508 . 1 . 1 48 48 ILE HD12 H 1 0.138 0.001 9 1 . . . . . 48 ILE HD1# . 12041 1 509 . 1 . 1 48 48 ILE HD13 H 1 0.138 0.001 9 1 . . . . . 48 ILE HD1# . 12041 1 510 . 1 . 1 48 48 ILE HG12 H 1 0.598 0.012 8 2 . . . . . 48 ILE HG1# . 12041 1 511 . 1 . 1 48 48 ILE HG13 H 1 0.598 0.012 8 2 . . . . . 48 ILE HG1# . 12041 1 512 . 1 . 1 48 48 ILE HG21 H 1 0.580 0.000 8 1 . . . . . 48 ILE HG2# . 12041 1 513 . 1 . 1 48 48 ILE HG22 H 1 0.580 0.000 8 1 . . . . . 48 ILE HG2# . 12041 1 514 . 1 . 1 48 48 ILE HG23 H 1 0.580 0.000 8 1 . . . . . 48 ILE HG2# . 12041 1 515 . 1 . 1 48 48 ILE CA C 13 65.731 0.045 4 1 . . . . . 48 ILE CA . 12041 1 516 . 1 . 1 48 48 ILE CB C 13 37.690 0.174 5 1 . . . . . 48 ILE CB . 12041 1 517 . 1 . 1 48 48 ILE CD1 C 13 14.668 0.116 8 1 . . . . . 48 ILE CD . 12041 1 518 . 1 . 1 48 48 ILE CG1 C 13 29.010 0.000 1 1 . . . . . 48 ILE CG1 . 12041 1 519 . 1 . 1 48 48 ILE CG2 C 13 17.458 0.019 7 1 . . . . . 48 ILE CG2 . 12041 1 520 . 1 . 1 48 48 ILE N N 15 117.900 0.159 21 1 . . . . . 48 ILE N . 12041 1 521 . 1 . 1 49 49 LEU H H 1 7.672 0.013 34 1 . . . . . 49 LEU HN . 12041 1 522 . 1 . 1 49 49 LEU HA H 1 3.795 0.007 5 1 . . . . . 49 LEU HA . 12041 1 523 . 1 . 1 49 49 LEU HB2 H 1 2.119 0.030 4 2 . . . . . 49 LEU HB2 . 12041 1 524 . 1 . 1 49 49 LEU HB3 H 1 1.347 0.008 5 2 . . . . . 49 LEU HB3 . 12041 1 525 . 1 . 1 49 49 LEU HD11 H 1 0.779 0.011 7 2 . . . . . 49 LEU HD1# . 12041 1 526 . 1 . 1 49 49 LEU HD12 H 1 0.779 0.011 7 2 . . . . . 49 LEU HD1# . 12041 1 527 . 1 . 1 49 49 LEU HD13 H 1 0.779 0.011 7 2 . . . . . 49 LEU HD1# . 12041 1 528 . 1 . 1 49 49 LEU CA C 13 57.338 0.000 1 1 . . . . . 49 LEU CA . 12041 1 529 . 1 . 1 49 49 LEU CB C 13 40.973 0.000 1 1 . . . . . 49 LEU CB . 12041 1 530 . 1 . 1 49 49 LEU CD1 C 13 22.767 0.000 1 2 . . . . . 49 LEU CD# . 12041 1 531 . 1 . 1 49 49 LEU CD2 C 13 22.767 0.000 1 2 . . . . . 49 LEU CD# . 12041 1 532 . 1 . 1 49 49 LEU CG C 13 26.002 0.000 1 1 . . . . . 49 LEU CG . 12041 1 533 . 1 . 1 49 49 LEU N N 15 115.932 0.231 27 1 . . . . . 49 LEU N . 12041 1 534 . 1 . 1 50 50 ARG H H 1 8.494 0.009 32 1 . . . . . 50 ARG HN . 12041 1 535 . 1 . 1 50 50 ARG HA H 1 4.007 0.013 9 1 . . . . . 50 ARG HA . 12041 1 536 . 1 . 1 50 50 ARG HB2 H 1 1.913 0.024 6 2 . . . . . 50 ARG HB2 . 12041 1 537 . 1 . 1 50 50 ARG HB3 H 1 1.515 0.002 2 2 . . . . . 50 ARG HB3 . 12041 1 538 . 1 . 1 50 50 ARG HD2 H 1 3.217 0.001 5 2 . . . . . 50 ARG HD2 . 12041 1 539 . 1 . 1 50 50 ARG HD3 H 1 2.952 0.002 4 2 . . . . . 50 ARG HD3 . 12041 1 540 . 1 . 1 50 50 ARG HE H 1 7.083 0.010 16 1 . . . . . 50 ARG HE . 12041 1 541 . 1 . 1 50 50 ARG HG2 H 1 1.277 0.008 7 2 . . . . . 50 ARG HG# . 12041 1 542 . 1 . 1 50 50 ARG HG3 H 1 1.277 0.008 7 2 . . . . . 50 ARG HG# . 12041 1 543 . 1 . 1 50 50 ARG CA C 13 59.534 0.051 3 1 . . . . . 50 ARG CA . 12041 1 544 . 1 . 1 50 50 ARG CB C 13 29.866 0.000 1 1 . . . . . 50 ARG CB . 12041 1 545 . 1 . 1 50 50 ARG CD C 13 43.665 0.092 8 1 . . . . . 50 ARG CD . 12041 1 546 . 1 . 1 50 50 ARG CG C 13 27.153 0.000 1 1 . . . . . 50 ARG CG . 12041 1 547 . 1 . 1 50 50 ARG N N 15 120.877 0.172 28 1 . . . . . 50 ARG N . 12041 1 548 . 1 . 1 50 50 ARG NE N 15 113.909 0.029 11 1 . . . . . 50 ARG NE . 12041 1 549 . 1 . 1 51 51 GLU H H 1 8.179 0.008 30 1 . . . . . 51 GLU HN . 12041 1 550 . 1 . 1 51 51 GLU HA H 1 3.525 0.007 14 1 . . . . . 51 GLU HA . 12041 1 551 . 1 . 1 51 51 GLU HB2 H 1 1.595 0.013 7 2 . . . . . 51 GLU HB2 . 12041 1 552 . 1 . 1 51 51 GLU HB3 H 1 1.417 0.014 4 2 . . . . . 51 GLU HB3 . 12041 1 553 . 1 . 1 51 51 GLU HG2 H 1 1.064 0.010 3 2 . . . . . 51 GLU HG2 . 12041 1 554 . 1 . 1 51 51 GLU HG3 H 1 0.754 0.009 5 2 . . . . . 51 GLU HG3 . 12041 1 555 . 1 . 1 51 51 GLU CA C 13 58.233 0.022 7 1 . . . . . 51 GLU CA . 12041 1 556 . 1 . 1 51 51 GLU CB C 13 29.371 0.000 1 1 . . . . . 51 GLU CB . 12041 1 557 . 1 . 1 51 51 GLU CG C 13 35.106 0.000 1 1 . . . . . 51 GLU CG . 12041 1 558 . 1 . 1 51 51 GLU N N 15 118.286 0.137 26 1 . . . . . 51 GLU N . 12041 1 559 . 1 . 1 52 52 ALA H H 1 8.270 0.007 31 1 . . . . . 52 ALA HN . 12041 1 560 . 1 . 1 52 52 ALA HA H 1 3.893 0.007 7 1 . . . . . 52 ALA HA . 12041 1 561 . 1 . 1 52 52 ALA HB1 H 1 1.387 0.007 9 1 . . . . . 52 ALA HB . 12041 1 562 . 1 . 1 52 52 ALA HB2 H 1 1.387 0.007 9 1 . . . . . 52 ALA HB . 12041 1 563 . 1 . 1 52 52 ALA HB3 H 1 1.387 0.007 9 1 . . . . . 52 ALA HB . 12041 1 564 . 1 . 1 52 52 ALA CA C 13 55.100 0.014 3 1 . . . . . 52 ALA CA . 12041 1 565 . 1 . 1 52 52 ALA CB C 13 17.064 0.000 1 1 . . . . . 52 ALA CB . 12041 1 566 . 1 . 1 52 52 ALA N N 15 121.859 0.136 29 1 . . . . . 52 ALA N . 12041 1 567 . 1 . 1 53 53 HIS H H 1 8.644 0.006 23 1 . . . . . 53 HIS HN . 12041 1 568 . 1 . 1 53 53 HIS HA H 1 3.478 0.012 13 1 . . . . . 53 HIS HA . 12041 1 569 . 1 . 1 53 53 HIS HB2 H 1 2.688 0.008 10 2 . . . . . 53 HIS HB2 . 12041 1 570 . 1 . 1 53 53 HIS HB3 H 1 1.952 0.006 7 2 . . . . . 53 HIS HB3 . 12041 1 571 . 1 . 1 53 53 HIS CA C 13 59.857 0.022 7 1 . . . . . 53 HIS CA . 12041 1 572 . 1 . 1 53 53 HIS CB C 13 27.497 0.099 4 1 . . . . . 53 HIS CB . 12041 1 573 . 1 . 1 53 53 HIS N N 15 115.478 0.182 21 1 . . . . . 53 HIS N . 12041 1 574 . 1 . 1 54 54 GLN H H 1 8.600 0.009 24 1 . . . . . 54 GLN HN . 12041 1 575 . 1 . 1 54 54 GLN HA H 1 3.696 0.008 18 1 . . . . . 54 GLN HA . 12041 1 576 . 1 . 1 54 54 GLN HB2 H 1 1.978 0.008 8 2 . . . . . 54 GLN HB# . 12041 1 577 . 1 . 1 54 54 GLN HB3 H 1 1.978 0.008 8 2 . . . . . 54 GLN HB# . 12041 1 578 . 1 . 1 54 54 GLN HE21 H 1 7.377 0.007 18 2 . . . . . 54 GLN HE21 . 12041 1 579 . 1 . 1 54 54 GLN HE22 H 1 6.936 0.014 6 2 . . . . . 54 GLN HE22 . 12041 1 580 . 1 . 1 54 54 GLN HG2 H 1 2.589 0.012 14 2 . . . . . 54 GLN HG2 . 12041 1 581 . 1 . 1 54 54 GLN HG3 H 1 2.415 0.012 12 2 . . . . . 54 GLN HG3 . 12041 1 582 . 1 . 1 54 54 GLN CA C 13 58.380 0.043 7 1 . . . . . 54 GLN CA . 12041 1 583 . 1 . 1 54 54 GLN CB C 13 27.773 0.000 1 1 . . . . . 54 GLN CB . 12041 1 584 . 1 . 1 54 54 GLN CG C 13 34.596 0.074 8 1 . . . . . 54 GLN CG . 12041 1 585 . 1 . 1 54 54 GLN N N 15 115.509 0.186 20 1 . . . . . 54 GLN N . 12041 1 586 . 1 . 1 54 54 GLN NE2 N 15 111.277 0.019 17 1 . . . . . 54 GLN NE2 . 12041 1 587 . 1 . 1 55 55 ALA H H 1 7.624 0.008 27 1 . . . . . 55 ALA HN . 12041 1 588 . 1 . 1 55 55 ALA HA H 1 3.961 0.013 10 1 . . . . . 55 ALA HA . 12041 1 589 . 1 . 1 55 55 ALA HB1 H 1 1.390 0.013 10 1 . . . . . 55 ALA HB . 12041 1 590 . 1 . 1 55 55 ALA HB2 H 1 1.390 0.013 10 1 . . . . . 55 ALA HB . 12041 1 591 . 1 . 1 55 55 ALA HB3 H 1 1.390 0.013 10 1 . . . . . 55 ALA HB . 12041 1 592 . 1 . 1 55 55 ALA CA C 13 54.660 0.033 6 1 . . . . . 55 ALA CA . 12041 1 593 . 1 . 1 55 55 ALA CB C 13 17.920 0.141 7 1 . . . . . 55 ALA CB . 12041 1 594 . 1 . 1 55 55 ALA N N 15 121.053 0.130 23 1 . . . . . 55 ALA N . 12041 1 595 . 1 . 1 56 56 LEU H H 1 7.215 0.009 26 1 . . . . . 56 LEU HN . 12041 1 596 . 1 . 1 56 56 LEU HA H 1 3.986 0.006 12 1 . . . . . 56 LEU HA . 12041 1 597 . 1 . 1 56 56 LEU HB2 H 1 1.326 0.008 3 2 . . . . . 56 LEU HB2 . 12041 1 598 . 1 . 1 56 56 LEU HB3 H 1 1.225 0.003 3 2 . . . . . 56 LEU HB3 . 12041 1 599 . 1 . 1 56 56 LEU HD11 H 1 0.459 0.005 2 2 . . . . . 56 LEU HD1# . 12041 1 600 . 1 . 1 56 56 LEU HD12 H 1 0.459 0.005 2 2 . . . . . 56 LEU HD1# . 12041 1 601 . 1 . 1 56 56 LEU HD13 H 1 0.459 0.005 2 2 . . . . . 56 LEU HD1# . 12041 1 602 . 1 . 1 56 56 LEU HD21 H 1 0.264 0.002 2 2 . . . . . 56 LEU HD2# . 12041 1 603 . 1 . 1 56 56 LEU HD22 H 1 0.264 0.002 2 2 . . . . . 56 LEU HD2# . 12041 1 604 . 1 . 1 56 56 LEU HD23 H 1 0.264 0.002 2 2 . . . . . 56 LEU HD2# . 12041 1 605 . 1 . 1 56 56 LEU HG H 1 0.429 0.060 9 1 . . . . . 56 LEU HG . 12041 1 606 . 1 . 1 56 56 LEU CA C 13 55.844 0.056 5 1 . . . . . 56 LEU CA . 12041 1 607 . 1 . 1 56 56 LEU CB C 13 42.128 0.106 6 1 . . . . . 56 LEU CB . 12041 1 608 . 1 . 1 56 56 LEU CD1 C 13 25.239 1.183 3 2 . . . . . 56 LEU CD# . 12041 1 609 . 1 . 1 56 56 LEU CD2 C 13 25.239 1.183 3 2 . . . . . 56 LEU CD# . 12041 1 610 . 1 . 1 56 56 LEU CG C 13 25.902 0.177 2 1 . . . . . 56 LEU CG . 12041 1 611 . 1 . 1 56 56 LEU N N 15 118.791 0.124 22 1 . . . . . 56 LEU N . 12041 1 612 . 1 . 1 57 57 ILE H H 1 7.545 0.007 24 1 . . . . . 57 ILE HN . 12041 1 613 . 1 . 1 57 57 ILE HA H 1 3.565 0.010 15 1 . . . . . 57 ILE HA . 12041 1 614 . 1 . 1 57 57 ILE HB H 1 1.772 0.011 18 1 . . . . . 57 ILE HB . 12041 1 615 . 1 . 1 57 57 ILE HD11 H 1 0.554 0.007 18 1 . . . . . 57 ILE HD1# . 12041 1 616 . 1 . 1 57 57 ILE HD12 H 1 0.554 0.007 18 1 . . . . . 57 ILE HD1# . 12041 1 617 . 1 . 1 57 57 ILE HD13 H 1 0.554 0.007 18 1 . . . . . 57 ILE HD1# . 12041 1 618 . 1 . 1 57 57 ILE HG12 H 1 1.019 0.009 6 2 . . . . . 57 ILE HG12 . 12041 1 619 . 1 . 1 57 57 ILE HG13 H 1 0.959 0.005 5 2 . . . . . 57 ILE HG13 . 12041 1 620 . 1 . 1 57 57 ILE HG21 H 1 0.711 0.011 16 1 . . . . . 57 ILE HG2# . 12041 1 621 . 1 . 1 57 57 ILE HG22 H 1 0.711 0.011 16 1 . . . . . 57 ILE HG2# . 12041 1 622 . 1 . 1 57 57 ILE HG23 H 1 0.711 0.011 16 1 . . . . . 57 ILE HG2# . 12041 1 623 . 1 . 1 57 57 ILE CA C 13 62.366 0.045 6 1 . . . . . 57 ILE CA . 12041 1 624 . 1 . 1 57 57 ILE CB C 13 36.122 0.056 5 1 . . . . . 57 ILE CB . 12041 1 625 . 1 . 1 57 57 ILE CG1 C 13 27.503 0.045 9 1 . . . . . 57 ILE CG1 . 12041 1 626 . 1 . 1 57 57 ILE CG2 C 13 17.450 0.101 6 1 . . . . . 57 ILE CG2 . 12041 1 627 . 1 . 1 57 57 ILE N N 15 117.627 0.165 23 1 . . . . . 57 ILE N . 12041 1 628 . 1 . 1 58 58 LYS H H 1 7.147 0.008 20 1 . . . . . 58 LYS HN . 12041 1 629 . 1 . 1 58 58 LYS HA H 1 4.026 0.011 8 1 . . . . . 58 LYS HA . 12041 1 630 . 1 . 1 58 58 LYS HB2 H 1 1.812 0.013 13 2 . . . . . 58 LYS HB# . 12041 1 631 . 1 . 1 58 58 LYS HB3 H 1 1.812 0.013 13 2 . . . . . 58 LYS HB# . 12041 1 632 . 1 . 1 58 58 LYS HD2 H 1 1.617 0.006 7 2 . . . . . 58 LYS HD# . 12041 1 633 . 1 . 1 58 58 LYS HD3 H 1 1.617 0.006 7 2 . . . . . 58 LYS HD# . 12041 1 634 . 1 . 1 58 58 LYS HE2 H 1 2.912 0.018 6 2 . . . . . 58 LYS HE# . 12041 1 635 . 1 . 1 58 58 LYS HE3 H 1 2.912 0.018 6 2 . . . . . 58 LYS HE# . 12041 1 636 . 1 . 1 58 58 LYS HG2 H 1 1.405 0.026 7 2 . . . . . 58 LYS HG# . 12041 1 637 . 1 . 1 58 58 LYS HG3 H 1 1.405 0.026 7 2 . . . . . 58 LYS HG# . 12041 1 638 . 1 . 1 58 58 LYS CA C 13 58.017 0.032 4 1 . . . . . 58 LYS CA . 12041 1 639 . 1 . 1 58 58 LYS CB C 13 32.844 0.042 5 1 . . . . . 58 LYS CB . 12041 1 640 . 1 . 1 58 58 LYS CD C 13 28.885 0.062 5 1 . . . . . 58 LYS CD . 12041 1 641 . 1 . 1 58 58 LYS CE C 13 42.577 0.432 2 1 . . . . . 58 LYS CE . 12041 1 642 . 1 . 1 58 58 LYS CG C 13 24.926 0.000 1 1 . . . . . 58 LYS CG . 12041 1 643 . 1 . 1 58 58 LYS N N 15 117.627 0.158 18 1 . . . . . 58 LYS N . 12041 1 644 . 1 . 1 59 59 SER H H 1 7.553 0.008 31 1 . . . . . 59 SER HN . 12041 1 645 . 1 . 1 59 59 SER HA H 1 4.811 0.011 8 1 . . . . . 59 SER HA . 12041 1 646 . 1 . 1 59 59 SER HB2 H 1 3.928 0.030 6 2 . . . . . 59 SER HB2 . 12041 1 647 . 1 . 1 59 59 SER HB3 H 1 3.663 0.001 6 2 . . . . . 59 SER HB3 . 12041 1 648 . 1 . 1 59 59 SER CB C 13 63.189 0.015 7 1 . . . . . 59 SER CB . 12041 1 649 . 1 . 1 59 59 SER N N 15 113.583 0.291 27 1 . . . . . 59 SER N . 12041 1 650 . 1 . 1 60 60 PRO HA H 1 4.572 0.006 15 1 . . . . . 60 PRO HA . 12041 1 651 . 1 . 1 60 60 PRO HB2 H 1 2.343 0.011 16 2 . . . . . 60 PRO HB2 . 12041 1 652 . 1 . 1 60 60 PRO HB3 H 1 1.865 0.031 7 2 . . . . . 60 PRO HB3 . 12041 1 653 . 1 . 1 60 60 PRO HD2 H 1 3.617 0.030 15 2 . . . . . 60 PRO HD2 . 12041 1 654 . 1 . 1 60 60 PRO HD3 H 1 3.372 0.009 12 2 . . . . . 60 PRO HD3 . 12041 1 655 . 1 . 1 60 60 PRO HG2 H 1 1.901 0.003 6 2 . . . . . 60 PRO HG# . 12041 1 656 . 1 . 1 60 60 PRO HG3 H 1 1.901 0.003 6 2 . . . . . 60 PRO HG# . 12041 1 657 . 1 . 1 60 60 PRO CA C 13 64.352 0.041 7 1 . . . . . 60 PRO CA . 12041 1 658 . 1 . 1 60 60 PRO CB C 13 32.852 0.038 9 1 . . . . . 60 PRO CB . 12041 1 659 . 1 . 1 60 60 PRO CD C 13 50.116 0.124 11 1 . . . . . 60 PRO CD . 12041 1 660 . 1 . 1 60 60 PRO CG C 13 27.081 0.041 6 1 . . . . . 60 PRO CG . 12041 1 661 . 1 . 1 61 61 LYS H H 1 8.333 0.007 31 1 . . . . . 61 LYS HN . 12041 1 662 . 1 . 1 61 61 LYS HA H 1 4.208 0.006 5 1 . . . . . 61 LYS HA . 12041 1 663 . 1 . 1 61 61 LYS HB2 H 1 1.905 0.012 3 2 . . . . . 61 LYS HB2 . 12041 1 664 . 1 . 1 61 61 LYS HB3 H 1 1.717 0.002 3 2 . . . . . 61 LYS HB3 . 12041 1 665 . 1 . 1 61 61 LYS HD2 H 1 1.627 0.000 1 2 . . . . . 61 LYS HD# . 12041 1 666 . 1 . 1 61 61 LYS HD3 H 1 1.627 0.000 1 2 . . . . . 61 LYS HD# . 12041 1 667 . 1 . 1 61 61 LYS HE2 H 1 2.923 0.005 3 2 . . . . . 61 LYS HE# . 12041 1 668 . 1 . 1 61 61 LYS HE3 H 1 2.923 0.005 3 2 . . . . . 61 LYS HE# . 12041 1 669 . 1 . 1 61 61 LYS HG2 H 1 1.364 0.005 3 2 . . . . . 61 LYS HG# . 12041 1 670 . 1 . 1 61 61 LYS HG3 H 1 1.364 0.005 3 2 . . . . . 61 LYS HG# . 12041 1 671 . 1 . 1 61 61 LYS CA C 13 55.785 0.000 1 1 . . . . . 61 LYS CA . 12041 1 672 . 1 . 1 61 61 LYS CB C 13 31.515 0.000 1 1 . . . . . 61 LYS CB . 12041 1 673 . 1 . 1 61 61 LYS CD C 13 28.738 0.000 1 1 . . . . . 61 LYS CD . 12041 1 674 . 1 . 1 61 61 LYS CE C 13 41.565 0.000 1 1 . . . . . 61 LYS CE . 12041 1 675 . 1 . 1 61 61 LYS CG C 13 24.870 0.000 1 1 . . . . . 61 LYS CG . 12041 1 676 . 1 . 1 61 61 LYS N N 15 115.511 0.215 29 1 . . . . . 61 LYS N . 12041 1 677 . 1 . 1 62 62 LEU H H 1 7.921 0.007 37 1 . . . . . 62 LEU HN . 12041 1 678 . 1 . 1 62 62 LEU HA H 1 4.028 0.007 12 1 . . . . . 62 LEU HA . 12041 1 679 . 1 . 1 62 62 LEU HB2 H 1 1.823 0.012 10 2 . . . . . 62 LEU HB2 . 12041 1 680 . 1 . 1 62 62 LEU HB3 H 1 1.625 0.017 11 2 . . . . . 62 LEU HB3 . 12041 1 681 . 1 . 1 62 62 LEU HG H 1 0.915 0.024 6 1 . . . . . 62 LEU HG . 12041 1 682 . 1 . 1 62 62 LEU CA C 13 56.337 0.024 5 1 . . . . . 62 LEU CA . 12041 1 683 . 1 . 1 62 62 LEU CB C 13 43.812 0.108 9 1 . . . . . 62 LEU CB . 12041 1 684 . 1 . 1 62 62 LEU CD1 C 13 24.468 0.000 1 2 . . . . . 62 LEU CD# . 12041 1 685 . 1 . 1 62 62 LEU CD2 C 13 24.468 0.000 1 2 . . . . . 62 LEU CD# . 12041 1 686 . 1 . 1 62 62 LEU N N 15 122.920 0.147 33 1 . . . . . 62 LEU N . 12041 1 687 . 1 . 1 63 63 ARG H H 1 8.924 0.008 29 1 . . . . . 63 ARG HN . 12041 1 688 . 1 . 1 63 63 ARG HA H 1 4.854 0.016 10 1 . . . . . 63 ARG HA . 12041 1 689 . 1 . 1 63 63 ARG HB2 H 1 2.250 0.002 7 2 . . . . . 63 ARG HB2 . 12041 1 690 . 1 . 1 63 63 ARG HB3 H 1 1.729 0.023 7 2 . . . . . 63 ARG HB3 . 12041 1 691 . 1 . 1 63 63 ARG HD2 H 1 3.435 0.006 9 2 . . . . . 63 ARG HD2 . 12041 1 692 . 1 . 1 63 63 ARG HD3 H 1 3.217 0.010 5 2 . . . . . 63 ARG HD3 . 12041 1 693 . 1 . 1 63 63 ARG HE H 1 7.647 0.013 11 1 . . . . . 63 ARG HE . 12041 1 694 . 1 . 1 63 63 ARG CA C 13 54.104 0.000 1 1 . . . . . 63 ARG CA . 12041 1 695 . 1 . 1 63 63 ARG CB C 13 31.061 0.230 3 1 . . . . . 63 ARG CB . 12041 1 696 . 1 . 1 63 63 ARG CD C 13 42.292 0.052 4 1 . . . . . 63 ARG CD . 12041 1 697 . 1 . 1 63 63 ARG CG C 13 26.400 0.000 1 1 . . . . . 63 ARG CG . 12041 1 698 . 1 . 1 63 63 ARG N N 15 118.620 0.148 25 1 . . . . . 63 ARG N . 12041 1 699 . 1 . 1 63 63 ARG NE N 15 115.116 0.098 9 1 . . . . . 63 ARG NE . 12041 1 700 . 1 . 1 64 64 THR H H 1 7.368 0.007 41 1 . . . . . 64 THR HN . 12041 1 701 . 1 . 1 64 64 THR HA H 1 4.979 0.012 14 1 . . . . . 64 THR HA . 12041 1 702 . 1 . 1 64 64 THR HB H 1 3.893 0.007 7 1 . . . . . 64 THR HB . 12041 1 703 . 1 . 1 64 64 THR HG21 H 1 0.920 0.001 8 1 . . . . . 64 THR HG2# . 12041 1 704 . 1 . 1 64 64 THR HG22 H 1 0.920 0.001 8 1 . . . . . 64 THR HG2# . 12041 1 705 . 1 . 1 64 64 THR HG23 H 1 0.920 0.001 8 1 . . . . . 64 THR HG2# . 12041 1 706 . 1 . 1 64 64 THR CA C 13 66.498 5.832 5 1 . . . . . 64 THR CA . 12041 1 707 . 1 . 1 64 64 THR CB C 13 71.471 0.000 1 1 . . . . . 64 THR CB . 12041 1 708 . 1 . 1 64 64 THR CG2 C 13 20.101 0.113 8 1 . . . . . 64 THR CG . 12041 1 709 . 1 . 1 64 64 THR N N 15 115.180 0.218 34 1 . . . . . 64 THR N . 12041 1 710 . 1 . 1 65 65 VAL H H 1 8.611 0.008 33 1 . . . . . 65 VAL HN . 12041 1 711 . 1 . 1 65 65 VAL HA H 1 4.267 0.011 15 1 . . . . . 65 VAL HA . 12041 1 712 . 1 . 1 65 65 VAL HB H 1 1.912 0.006 11 1 . . . . . 65 VAL HB . 12041 1 713 . 1 . 1 65 65 VAL HG21 H 1 0.693 0.000 7 2 . . . . . 65 VAL HG2# . 12041 1 714 . 1 . 1 65 65 VAL HG22 H 1 0.693 0.000 7 2 . . . . . 65 VAL HG2# . 12041 1 715 . 1 . 1 65 65 VAL HG23 H 1 0.693 0.000 7 2 . . . . . 65 VAL HG2# . 12041 1 716 . 1 . 1 65 65 VAL CA C 13 60.376 0.144 5 1 . . . . . 65 VAL CA . 12041 1 717 . 1 . 1 65 65 VAL CB C 13 35.021 0.140 4 1 . . . . . 65 VAL CB . 12041 1 718 . 1 . 1 65 65 VAL CG1 C 13 20.983 0.000 1 2 . . . . . 65 VAL CG1 . 12041 1 719 . 1 . 1 65 65 VAL CG2 C 13 20.261 0.128 2 2 . . . . . 65 VAL CG2 . 12041 1 720 . 1 . 1 65 65 VAL N N 15 122.363 0.118 27 1 . . . . . 65 VAL N . 12041 1 721 . 1 . 1 66 66 LEU H H 1 8.391 0.012 28 1 . . . . . 66 LEU HN . 12041 1 722 . 1 . 1 66 66 LEU HA H 1 5.035 0.038 20 1 . . . . . 66 LEU HA . 12041 1 723 . 1 . 1 66 66 LEU HB2 H 1 1.684 0.009 11 2 . . . . . 66 LEU HB2 . 12041 1 724 . 1 . 1 66 66 LEU HB3 H 1 1.360 0.010 10 2 . . . . . 66 LEU HB3 . 12041 1 725 . 1 . 1 66 66 LEU HD21 H 1 0.780 0.010 6 2 . . . . . 66 LEU HD2# . 12041 1 726 . 1 . 1 66 66 LEU HD22 H 1 0.780 0.010 6 2 . . . . . 66 LEU HD2# . 12041 1 727 . 1 . 1 66 66 LEU HD23 H 1 0.780 0.010 6 2 . . . . . 66 LEU HD2# . 12041 1 728 . 1 . 1 66 66 LEU HG H 1 1.165 0.011 6 1 . . . . . 66 LEU HG . 12041 1 729 . 1 . 1 66 66 LEU CA C 13 53.203 0.263 8 1 . . . . . 66 LEU CA . 12041 1 730 . 1 . 1 66 66 LEU CB C 13 42.702 0.059 7 1 . . . . . 66 LEU CB . 12041 1 731 . 1 . 1 66 66 LEU CD1 C 13 25.516 0.000 1 2 . . . . . 66 LEU CD1 . 12041 1 732 . 1 . 1 66 66 LEU CD2 C 13 23.450 0.170 5 2 . . . . . 66 LEU CD2 . 12041 1 733 . 1 . 1 66 66 LEU CG C 13 26.811 0.000 1 1 . . . . . 66 LEU CG . 12041 1 734 . 1 . 1 66 66 LEU N N 15 129.442 0.333 23 1 . . . . . 66 LEU N . 12041 1 735 . 1 . 1 67 67 VAL H H 1 9.515 0.007 41 1 . . . . . 67 VAL HN . 12041 1 736 . 1 . 1 67 67 VAL HA H 1 4.378 0.007 9 1 . . . . . 67 VAL HA . 12041 1 737 . 1 . 1 67 67 VAL HB H 1 2.206 0.005 12 1 . . . . . 67 VAL HB . 12041 1 738 . 1 . 1 67 67 VAL HG11 H 1 0.896 0.018 9 2 . . . . . 67 VAL HG1# . 12041 1 739 . 1 . 1 67 67 VAL HG12 H 1 0.896 0.018 9 2 . . . . . 67 VAL HG1# . 12041 1 740 . 1 . 1 67 67 VAL HG13 H 1 0.896 0.018 9 2 . . . . . 67 VAL HG1# . 12041 1 741 . 1 . 1 67 67 VAL HG21 H 1 0.927 0.000 1 2 . . . . . 67 VAL HG2# . 12041 1 742 . 1 . 1 67 67 VAL HG22 H 1 0.927 0.000 1 2 . . . . . 67 VAL HG2# . 12041 1 743 . 1 . 1 67 67 VAL HG23 H 1 0.927 0.000 1 2 . . . . . 67 VAL HG2# . 12041 1 744 . 1 . 1 67 67 VAL CA C 13 61.208 0.035 4 1 . . . . . 67 VAL CA . 12041 1 745 . 1 . 1 67 67 VAL CB C 13 33.719 0.148 5 1 . . . . . 67 VAL CB . 12041 1 746 . 1 . 1 67 67 VAL CG1 C 13 23.256 0.044 2 2 . . . . . 67 VAL CG1 . 12041 1 747 . 1 . 1 67 67 VAL CG2 C 13 21.631 0.061 2 2 . . . . . 67 VAL CG2 . 12041 1 748 . 1 . 1 67 67 VAL N N 15 126.476 0.228 35 1 . . . . . 67 VAL N . 12041 1 749 . 1 . 1 68 68 LYS H H 1 8.819 0.008 26 1 . . . . . 68 LYS HN . 12041 1 750 . 1 . 1 68 68 LYS HD2 H 1 1.664 0.009 4 2 . . . . . 68 LYS HD# . 12041 1 751 . 1 . 1 68 68 LYS HD3 H 1 1.664 0.009 4 2 . . . . . 68 LYS HD# . 12041 1 752 . 1 . 1 68 68 LYS HG2 H 1 1.310 0.000 1 2 . . . . . 68 LYS HG# . 12041 1 753 . 1 . 1 68 68 LYS HG3 H 1 1.310 0.000 1 2 . . . . . 68 LYS HG# . 12041 1 754 . 1 . 1 68 68 LYS N N 15 124.772 0.172 23 1 . . . . . 68 LYS N . 12041 1 755 . 1 . 1 69 69 PRO HA H 1 4.038 0.004 3 1 . . . . . 69 PRO HA . 12041 1 756 . 1 . 1 69 69 PRO HB2 H 1 1.933 0.004 5 2 . . . . . 69 PRO HB# . 12041 1 757 . 1 . 1 69 69 PRO HB3 H 1 1.933 0.004 5 2 . . . . . 69 PRO HB# . 12041 1 758 . 1 . 1 69 69 PRO HD3 H 1 2.429 0.000 1 2 . . . . . 69 PRO HD# . 12041 1 759 . 1 . 1 69 69 PRO HG2 H 1 2.087 0.003 2 2 . . . . . 69 PRO HG# . 12041 1 760 . 1 . 1 69 69 PRO HG3 H 1 2.087 0.003 2 2 . . . . . 69 PRO HG# . 12041 1 761 . 1 . 1 69 69 PRO CA C 13 63.030 0.000 1 1 . . . . . 69 PRO CA . 12041 1 762 . 1 . 1 69 69 PRO CB C 13 31.651 0.000 1 1 . . . . . 69 PRO CB . 12041 1 763 . 1 . 1 69 69 PRO CD C 13 50.955 0.000 1 1 . . . . . 69 PRO CD . 12041 1 764 . 1 . 1 69 69 PRO CG C 13 28.153 0.000 1 1 . . . . . 69 PRO CG . 12041 1 765 . 1 . 1 70 70 GLN H H 1 9.443 0.194 26 1 . . . . . 70 GLN HN . 12041 1 766 . 1 . 1 70 70 GLN HA H 1 4.242 0.006 8 1 . . . . . 70 GLN HA . 12041 1 767 . 1 . 1 70 70 GLN HB2 H 1 2.127 0.013 9 2 . . . . . 70 GLN HB2 . 12041 1 768 . 1 . 1 70 70 GLN HB3 H 1 1.961 0.010 11 2 . . . . . 70 GLN HB3 . 12041 1 769 . 1 . 1 70 70 GLN HE21 H 1 7.601 0.005 11 2 . . . . . 70 GLN HE21 . 12041 1 770 . 1 . 1 70 70 GLN HE22 H 1 6.926 0.000 1 2 . . . . . 70 GLN HE22 . 12041 1 771 . 1 . 1 70 70 GLN HG2 H 1 2.384 0.007 13 2 . . . . . 70 GLN HG# . 12041 1 772 . 1 . 1 70 70 GLN HG3 H 1 2.384 0.007 13 2 . . . . . 70 GLN HG# . 12041 1 773 . 1 . 1 70 70 GLN CA C 13 55.960 0.000 1 1 . . . . . 70 GLN CA . 12041 1 774 . 1 . 1 70 70 GLN CB C 13 30.240 0.201 6 1 . . . . . 70 GLN CB . 12041 1 775 . 1 . 1 70 70 GLN CG C 13 34.139 0.113 6 1 . . . . . 70 GLN CG . 12041 1 776 . 1 . 1 70 70 GLN N N 15 121.230 0.146 23 1 . . . . . 70 GLN N . 12041 1 777 . 1 . 1 70 70 GLN NE2 N 15 114.061 0.041 9 1 . . . . . 70 GLN NE2 . 12041 1 778 . 1 . 1 71 71 THR H H 1 8.636 0.008 28 1 . . . . . 71 THR HN . 12041 1 779 . 1 . 1 71 71 THR HA H 1 4.011 0.011 3 1 . . . . . 71 THR HA . 12041 1 780 . 1 . 1 71 71 THR HB H 1 4.005 0.004 3 1 . . . . . 71 THR HB . 12041 1 781 . 1 . 1 71 71 THR HG1 H 1 4.841 0.001 5 1 . . . . . 71 THR HG1 . 12041 1 782 . 1 . 1 71 71 THR HG21 H 1 1.119 0.007 7 1 . . . . . 71 THR HG2 . 12041 1 783 . 1 . 1 71 71 THR HG22 H 1 1.119 0.007 7 1 . . . . . 71 THR HG2 . 12041 1 784 . 1 . 1 71 71 THR HG23 H 1 1.119 0.007 7 1 . . . . . 71 THR HG2 . 12041 1 785 . 1 . 1 71 71 THR CA C 13 66.190 1.802 2 1 . . . . . 71 THR CA . 12041 1 786 . 1 . 1 71 71 THR CB C 13 68.346 0.002 2 1 . . . . . 71 THR CB . 12041 1 787 . 1 . 1 71 71 THR N N 15 119.287 0.141 25 1 . . . . . 71 THR N . 12041 1 788 . 1 . 1 72 72 VAL H H 1 8.396 0.010 13 1 . . . . . 72 VAL HN . 12041 1 789 . 1 . 1 72 72 VAL HA H 1 3.944 0.016 11 1 . . . . . 72 VAL HA . 12041 1 790 . 1 . 1 72 72 VAL HB H 1 1.962 0.011 5 1 . . . . . 72 VAL HB . 12041 1 791 . 1 . 1 72 72 VAL HG11 H 1 0.918 0.005 5 2 . . . . . 72 VAL HG1# . 12041 1 792 . 1 . 1 72 72 VAL HG12 H 1 0.918 0.005 5 2 . . . . . 72 VAL HG1# . 12041 1 793 . 1 . 1 72 72 VAL HG13 H 1 0.918 0.005 5 2 . . . . . 72 VAL HG1# . 12041 1 794 . 1 . 1 72 72 VAL HG21 H 1 0.801 0.000 1 2 . . . . . 72 VAL HG2# . 12041 1 795 . 1 . 1 72 72 VAL HG22 H 1 0.801 0.000 1 2 . . . . . 72 VAL HG2# . 12041 1 796 . 1 . 1 72 72 VAL HG23 H 1 0.801 0.000 1 2 . . . . . 72 VAL HG2# . 12041 1 797 . 1 . 1 72 72 VAL CA C 13 62.643 0.020 4 1 . . . . . 72 VAL CA . 12041 1 798 . 1 . 1 72 72 VAL CB C 13 32.263 0.000 1 1 . . . . . 72 VAL CB . 12041 1 799 . 1 . 1 72 72 VAL CG1 C 13 21.265 0.058 4 2 . . . . . 72 VAL CG1 . 12041 1 800 . 1 . 1 72 72 VAL CG2 C 13 21.372 0.000 1 2 . . . . . 72 VAL CG2 . 12041 1 801 . 1 . 1 72 72 VAL N N 15 125.228 0.192 10 1 . . . . . 72 VAL N . 12041 1 802 . 1 . 1 73 73 LYS H H 1 8.359 0.008 19 1 . . . . . 73 LYS HN . 12041 1 803 . 1 . 1 73 73 LYS HA H 1 4.310 0.008 7 1 . . . . . 73 LYS HA . 12041 1 804 . 1 . 1 73 73 LYS HB2 H 1 1.808 0.007 6 2 . . . . . 73 LYS HB2 . 12041 1 805 . 1 . 1 73 73 LYS HB3 H 1 1.630 0.005 6 2 . . . . . 73 LYS HB3 . 12041 1 806 . 1 . 1 73 73 LYS HD2 H 1 1.335 0.007 6 2 . . . . . 73 LYS HD# . 12041 1 807 . 1 . 1 73 73 LYS HD3 H 1 1.335 0.007 6 2 . . . . . 73 LYS HD# . 12041 1 808 . 1 . 1 73 73 LYS HE2 H 1 2.948 0.005 3 2 . . . . . 73 LYS HE# . 12041 1 809 . 1 . 1 73 73 LYS HE3 H 1 2.948 0.005 3 2 . . . . . 73 LYS HE# . 12041 1 810 . 1 . 1 73 73 LYS CA C 13 55.717 0.000 1 1 . . . . . 73 LYS CA . 12041 1 811 . 1 . 1 73 73 LYS CB C 13 33.497 0.164 6 1 . . . . . 73 LYS CB . 12041 1 812 . 1 . 1 73 73 LYS CD C 13 28.706 0.000 1 1 . . . . . 73 LYS CD . 12041 1 813 . 1 . 1 73 73 LYS CE C 13 41.824 0.000 1 1 . . . . . 73 LYS CE . 12041 1 814 . 1 . 1 73 73 LYS CG C 13 23.915 0.000 1 1 . . . . . 73 LYS CG . 12041 1 815 . 1 . 1 73 73 LYS N N 15 125.317 0.223 18 1 . . . . . 73 LYS N . 12041 1 816 . 1 . 1 74 74 ASP H H 1 8.371 0.010 28 1 . . . . . 74 ASP HN . 12041 1 817 . 1 . 1 74 74 ASP HA H 1 4.365 0.004 3 1 . . . . . 74 ASP HA . 12041 1 818 . 1 . 1 74 74 ASP HB2 H 1 2.643 0.008 6 2 . . . . . 74 ASP HB# . 12041 1 819 . 1 . 1 74 74 ASP HB3 H 1 2.643 0.008 6 2 . . . . . 74 ASP HB# . 12041 1 820 . 1 . 1 74 74 ASP CA C 13 55.586 0.000 1 1 . . . . . 74 ASP CA . 12041 1 821 . 1 . 1 74 74 ASP CB C 13 40.298 0.000 1 1 . . . . . 74 ASP CB . 12041 1 822 . 1 . 1 74 74 ASP N N 15 118.747 0.181 26 1 . . . . . 74 ASP N . 12041 1 823 . 1 . 1 75 75 LYS H H 1 7.992 0.006 18 1 . . . . . 75 LYS HN . 12041 1 824 . 1 . 1 75 75 LYS HA H 1 4.545 0.032 3 1 . . . . . 75 LYS HA . 12041 1 825 . 1 . 1 75 75 LYS HB2 H 1 1.694 0.000 3 2 . . . . . 75 LYS HB2 . 12041 1 826 . 1 . 1 75 75 LYS HB3 H 1 1.614 0.031 3 2 . . . . . 75 LYS HB3 . 12041 1 827 . 1 . 1 75 75 LYS HD2 H 1 1.275 0.006 2 2 . . . . . 75 LYS HD# . 12041 1 828 . 1 . 1 75 75 LYS HD3 H 1 1.275 0.006 2 2 . . . . . 75 LYS HD# . 12041 1 829 . 1 . 1 75 75 LYS HZ1 H 1 7.854 0.000 1 1 . . . . . 75 LYS HZ . 12041 1 830 . 1 . 1 75 75 LYS HZ2 H 1 7.854 0.000 1 1 . . . . . 75 LYS HZ . 12041 1 831 . 1 . 1 75 75 LYS HZ3 H 1 7.854 0.000 1 1 . . . . . 75 LYS HZ . 12041 1 832 . 1 . 1 75 75 LYS CB C 13 32.242 0.046 5 1 . . . . . 75 LYS CB . 12041 1 833 . 1 . 1 75 75 LYS N N 15 119.138 0.139 17 1 . . . . . 75 LYS N . 12041 1 834 . 1 . 1 75 75 LYS NZ N 15 118.964 0.000 1 1 . . . . . 75 LYS NZ . 12041 1 835 . 1 . 1 76 76 PRO HA H 1 4.265 0.009 9 1 . . . . . 76 PRO HA . 12041 1 836 . 1 . 1 76 76 PRO HB2 H 1 2.248 0.001 5 2 . . . . . 76 PRO HB2 . 12041 1 837 . 1 . 1 76 76 PRO HB3 H 1 1.505 0.007 3 2 . . . . . 76 PRO HB3 . 12041 1 838 . 1 . 1 76 76 PRO HD2 H 1 3.512 0.013 5 2 . . . . . 76 PRO HD# . 12041 1 839 . 1 . 1 76 76 PRO HD3 H 1 3.512 0.013 5 2 . . . . . 76 PRO HD# . 12041 1 840 . 1 . 1 76 76 PRO CA C 13 63.319 0.014 4 1 . . . . . 76 PRO CA . 12041 1 841 . 1 . 1 76 76 PRO CB C 13 32.403 0.071 6 1 . . . . . 76 PRO CB . 12041 1 842 . 1 . 1 76 76 PRO CD C 13 50.392 0.000 1 1 . . . . . 76 PRO CD . 12041 1 843 . 1 . 1 76 76 PRO CG C 13 27.187 0.000 1 1 . . . . . 76 PRO CG . 12041 1 844 . 1 . 1 77 77 THR H H 1 8.172 0.009 17 1 . . . . . 77 THR HN . 12041 1 845 . 1 . 1 77 77 THR HA H 1 4.620 0.028 9 1 . . . . . 77 THR HA . 12041 1 846 . 1 . 1 77 77 THR HB H 1 3.645 0.009 7 1 . . . . . 77 THR HB . 12041 1 847 . 1 . 1 77 77 THR HG1 H 1 4.894 0.050 4 1 . . . . . 77 THR HG1 . 12041 1 848 . 1 . 1 77 77 THR HG21 H 1 0.686 0.017 12 1 . . . . . 77 THR HG2 . 12041 1 849 . 1 . 1 77 77 THR HG22 H 1 0.686 0.017 12 1 . . . . . 77 THR HG2 . 12041 1 850 . 1 . 1 77 77 THR HG23 H 1 0.686 0.017 12 1 . . . . . 77 THR HG2 . 12041 1 851 . 1 . 1 77 77 THR CA C 13 61.645 0.000 1 1 . . . . . 77 THR CA . 12041 1 852 . 1 . 1 77 77 THR CB C 13 71.448 0.327 5 1 . . . . . 77 THR CB . 12041 1 853 . 1 . 1 77 77 THR CG2 C 13 21.743 0.189 5 1 . . . . . 77 THR CG . 12041 1 854 . 1 . 1 77 77 THR N N 15 118.122 0.204 16 1 . . . . . 77 THR N . 12041 1 855 . 1 . 1 78 78 HIS H H 1 8.954 0.007 21 1 . . . . . 78 HIS HN . 12041 1 856 . 1 . 1 78 78 HIS HA H 1 4.983 0.012 11 1 . . . . . 78 HIS HA . 12041 1 857 . 1 . 1 78 78 HIS HB2 H 1 2.886 0.012 13 2 . . . . . 78 HIS HB# . 12041 1 858 . 1 . 1 78 78 HIS HB3 H 1 2.886 0.012 13 2 . . . . . 78 HIS HB# . 12041 1 859 . 1 . 1 78 78 HIS HD2 H 1 6.770 0.043 2 1 . . . . . 78 HIS HD2 . 12041 1 860 . 1 . 1 78 78 HIS CA C 13 51.827 0.106 5 1 . . . . . 78 HIS CA . 12041 1 861 . 1 . 1 78 78 HIS CB C 13 34.767 0.153 3 1 . . . . . 78 HIS CB . 12041 1 862 . 1 . 1 78 78 HIS N N 15 124.646 0.194 18 1 . . . . . 78 HIS N . 12041 1 863 . 1 . 1 79 79 PHE H H 1 8.672 0.009 16 1 . . . . . 79 PHE HN . 12041 1 864 . 1 . 1 79 79 PHE HA H 1 5.398 0.008 13 1 . . . . . 79 PHE HA . 12041 1 865 . 1 . 1 79 79 PHE HB2 H 1 2.836 0.019 8 2 . . . . . 79 PHE HB# . 12041 1 866 . 1 . 1 79 79 PHE HB3 H 1 2.836 0.019 8 2 . . . . . 79 PHE HB# . 12041 1 867 . 1 . 1 79 79 PHE HD1 H 1 7.144 0.103 6 3 . . . . . 79 PHE HD1 . 12041 1 868 . 1 . 1 79 79 PHE HE1 H 1 7.085 0.058 5 3 . . . . . 79 PHE HE1 . 12041 1 869 . 1 . 1 79 79 PHE CA C 13 56.251 0.019 5 1 . . . . . 79 PHE CA . 12041 1 870 . 1 . 1 79 79 PHE CB C 13 40.887 0.000 1 1 . . . . . 79 PHE CB . 12041 1 871 . 1 . 1 79 79 PHE N N 15 117.644 0.191 12 1 . . . . . 79 PHE N . 12041 1 872 . 1 . 1 80 80 GLN H H 1 9.105 0.016 26 1 . . . . . 80 GLN HN . 12041 1 873 . 1 . 1 80 80 GLN HA H 1 4.641 0.009 13 1 . . . . . 80 GLN HA . 12041 1 874 . 1 . 1 80 80 GLN HB2 H 1 1.869 0.011 6 2 . . . . . 80 GLN HB2 . 12041 1 875 . 1 . 1 80 80 GLN HB3 H 1 1.632 0.011 8 2 . . . . . 80 GLN HB3 . 12041 1 876 . 1 . 1 80 80 GLN HE21 H 1 7.112 0.004 21 2 . . . . . 80 GLN HE21 . 12041 1 877 . 1 . 1 80 80 GLN HE22 H 1 6.678 0.006 4 2 . . . . . 80 GLN HE22 . 12041 1 878 . 1 . 1 80 80 GLN HG2 H 1 2.081 0.018 4 2 . . . . . 80 GLN HG# . 12041 1 879 . 1 . 1 80 80 GLN HG3 H 1 2.081 0.018 4 2 . . . . . 80 GLN HG# . 12041 1 880 . 1 . 1 80 80 GLN CA C 13 54.248 0.051 6 1 . . . . . 80 GLN CA . 12041 1 881 . 1 . 1 80 80 GLN CB C 13 29.046 0.000 1 1 . . . . . 80 GLN CB . 12041 1 882 . 1 . 1 80 80 GLN CG C 13 33.328 0.000 1 1 . . . . . 80 GLN CG . 12041 1 883 . 1 . 1 80 80 GLN N N 15 127.255 0.285 23 1 . . . . . 80 GLN N . 12041 1 884 . 1 . 1 80 80 GLN NE2 N 15 111.896 0.023 17 1 . . . . . 80 GLN NE . 12041 1 885 . 1 . 1 81 81 ILE H H 1 9.182 0.008 33 1 . . . . . 81 ILE HN . 12041 1 886 . 1 . 1 81 81 ILE HA H 1 4.467 0.013 13 1 . . . . . 81 ILE HA . 12041 1 887 . 1 . 1 81 81 ILE HB H 1 1.918 0.006 9 1 . . . . . 81 ILE HB . 12041 1 888 . 1 . 1 81 81 ILE HG12 H 1 1.470 0.004 2 2 . . . . . 81 ILE HG12 . 12041 1 889 . 1 . 1 81 81 ILE HG13 H 1 1.094 0.022 6 2 . . . . . 81 ILE HG13 . 12041 1 890 . 1 . 1 81 81 ILE HG21 H 1 0.522 0.036 22 1 . . . . . 81 ILE HG2# . 12041 1 891 . 1 . 1 81 81 ILE HG22 H 1 0.522 0.036 22 1 . . . . . 81 ILE HG2# . 12041 1 892 . 1 . 1 81 81 ILE HG23 H 1 0.522 0.036 22 1 . . . . . 81 ILE HG2# . 12041 1 893 . 1 . 1 81 81 ILE CA C 13 58.557 0.076 5 1 . . . . . 81 ILE CA . 12041 1 894 . 1 . 1 81 81 ILE CB C 13 35.294 0.113 4 1 . . . . . 81 ILE CB . 12041 1 895 . 1 . 1 81 81 ILE CD1 C 13 11.232 0.000 1 1 . . . . . 81 ILE CD1 . 12041 1 896 . 1 . 1 81 81 ILE CG1 C 13 26.926 0.000 1 1 . . . . . 81 ILE CG1 . 12041 1 897 . 1 . 1 81 81 ILE CG2 C 13 18.918 0.258 14 1 . . . . . 81 ILE CG2 . 12041 1 898 . 1 . 1 81 81 ILE N N 15 128.156 0.285 28 1 . . . . . 81 ILE N . 12041 1 899 . 1 . 1 82 82 CYS H H 1 8.844 0.010 25 1 . . . . . 82 CYS HN . 12041 1 900 . 1 . 1 82 82 CYS HA H 1 4.430 0.010 13 1 . . . . . 82 CYS HA . 12041 1 901 . 1 . 1 82 82 CYS HB2 H 1 2.507 0.014 13 2 . . . . . 82 CYS HB2 . 12041 1 902 . 1 . 1 82 82 CYS HB3 H 1 1.350 0.008 11 2 . . . . . 82 CYS HB3 . 12041 1 903 . 1 . 1 82 82 CYS CA C 13 57.024 0.071 5 1 . . . . . 82 CYS CA . 12041 1 904 . 1 . 1 82 82 CYS CB C 13 28.224 0.097 7 1 . . . . . 82 CYS CB . 12041 1 905 . 1 . 1 82 82 CYS N N 15 126.097 0.215 23 1 . . . . . 82 CYS N . 12041 1 906 . 1 . 1 83 83 PHE H H 1 8.121 0.007 38 1 . . . . . 83 PHE HN . 12041 1 907 . 1 . 1 83 83 PHE HA H 1 5.379 0.008 21 1 . . . . . 83 PHE HA . 12041 1 908 . 1 . 1 83 83 PHE HB2 H 1 3.010 0.007 11 2 . . . . . 83 PHE HB2 . 12041 1 909 . 1 . 1 83 83 PHE HB3 H 1 2.771 0.007 6 2 . . . . . 83 PHE HB3 . 12041 1 910 . 1 . 1 83 83 PHE HD1 H 1 6.899 0.019 14 3 . . . . . 83 PHE HD# . 12041 1 911 . 1 . 1 83 83 PHE HD2 H 1 6.899 0.019 14 3 . . . . . 83 PHE HD# . 12041 1 912 . 1 . 1 83 83 PHE HE1 H 1 7.207 0.006 4 3 . . . . . 83 PHE HE# . 12041 1 913 . 1 . 1 83 83 PHE HE2 H 1 7.207 0.006 4 3 . . . . . 83 PHE HE# . 12041 1 914 . 1 . 1 83 83 PHE CA C 13 52.863 0.147 14 1 . . . . . 83 PHE CA . 12041 1 915 . 1 . 1 83 83 PHE CB C 13 38.413 0.000 1 1 . . . . . 83 PHE CB . 12041 1 916 . 1 . 1 83 83 PHE N N 15 122.634 0.155 33 1 . . . . . 83 PHE N . 12041 1 917 . 1 . 1 84 84 ASP H H 1 9.053 0.006 31 1 . . . . . 84 ASP HN . 12041 1 918 . 1 . 1 84 84 ASP HA H 1 4.816 0.011 6 1 . . . . . 84 ASP HA . 12041 1 919 . 1 . 1 84 84 ASP HB2 H 1 2.735 0.009 6 2 . . . . . 84 ASP HB2 . 12041 1 920 . 1 . 1 84 84 ASP HB3 H 1 2.480 0.004 4 2 . . . . . 84 ASP HB3 . 12041 1 921 . 1 . 1 84 84 ASP CA C 13 53.782 0.000 1 1 . . . . . 84 ASP CA . 12041 1 922 . 1 . 1 84 84 ASP CB C 13 41.125 0.000 1 1 . . . . . 84 ASP CB . 12041 1 923 . 1 . 1 84 84 ASP N N 15 125.358 0.204 29 1 . . . . . 84 ASP N . 12041 1 924 . 1 . 1 85 85 GLU H H 1 8.939 0.008 19 1 . . . . . 85 GLU HN . 12041 1 925 . 1 . 1 85 85 GLU HA H 1 4.401 0.011 12 1 . . . . . 85 GLU HA . 12041 1 926 . 1 . 1 85 85 GLU HB2 H 1 2.100 0.007 4 2 . . . . . 85 GLU HB2 . 12041 1 927 . 1 . 1 85 85 GLU HB3 H 1 1.861 0.012 8 2 . . . . . 85 GLU HB3 . 12041 1 928 . 1 . 1 85 85 GLU HG2 H 1 2.257 0.015 3 2 . . . . . 85 GLU HG# . 12041 1 929 . 1 . 1 85 85 GLU HG3 H 1 2.257 0.015 3 2 . . . . . 85 GLU HG# . 12041 1 930 . 1 . 1 85 85 GLU CA C 13 55.816 0.006 5 1 . . . . . 85 GLU CA . 12041 1 931 . 1 . 1 85 85 GLU CB C 13 31.248 0.043 4 1 . . . . . 85 GLU CB . 12041 1 932 . 1 . 1 85 85 GLU CG C 13 36.239 0.000 1 1 . . . . . 85 GLU CG . 12041 1 933 . 1 . 1 85 85 GLU N N 15 124.138 0.177 17 1 . . . . . 85 GLU N . 12041 1 934 . 1 . 1 86 86 LEU H H 1 8.497 0.008 17 1 . . . . . 86 LEU HN . 12041 1 935 . 1 . 1 86 86 LEU HA H 1 4.308 0.008 5 1 . . . . . 86 LEU HA . 12041 1 936 . 1 . 1 86 86 LEU HB2 H 1 1.544 0.006 3 2 . . . . . 86 LEU HB# . 12041 1 937 . 1 . 1 86 86 LEU HB3 H 1 1.544 0.006 3 2 . . . . . 86 LEU HB# . 12041 1 938 . 1 . 1 86 86 LEU HD11 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1 939 . 1 . 1 86 86 LEU HD12 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1 940 . 1 . 1 86 86 LEU HD13 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1 941 . 1 . 1 86 86 LEU HD21 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1 942 . 1 . 1 86 86 LEU HD22 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1 943 . 1 . 1 86 86 LEU HD23 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1 944 . 1 . 1 86 86 LEU CA C 13 54.990 0.038 2 1 . . . . . 86 LEU CA . 12041 1 945 . 1 . 1 86 86 LEU CB C 13 42.371 0.000 1 1 . . . . . 86 LEU CB . 12041 1 946 . 1 . 1 86 86 LEU CD1 C 13 23.876 0.000 1 2 . . . . . 86 LEU CD# . 12041 1 947 . 1 . 1 86 86 LEU CD2 C 13 23.876 0.000 1 2 . . . . . 86 LEU CD# . 12041 1 948 . 1 . 1 86 86 LEU CG C 13 26.971 0.000 1 1 . . . . . 86 LEU CG . 12041 1 949 . 1 . 1 86 86 LEU N N 15 123.338 0.174 15 1 . . . . . 86 LEU N . 12041 1 950 . 1 . 1 87 87 GLU H H 1 8.479 0.010 9 1 . . . . . 87 GLU HN . 12041 1 951 . 1 . 1 87 87 GLU N N 15 121.634 0.196 9 1 . . . . . 87 GLU N . 12041 1 stop_ save_