data_4674 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4674 _Entry.Title ; Structural Proteomics of M. thermoautotrophicum: A global survey of non-membrane protein expression, solubility and structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-02-28 _Entry.Accession_date 2000-02-29 _Entry.Last_release_date 2002-09-23 _Entry.Original_release_date 2002-09-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Valerie Booth . . . 4674 2 Cheryl Arrowsmith . . . 4674 3 Aled Edwards . . . 4674 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4674 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 242 4674 '1H chemical shifts' 458 4674 '15N chemical shifts' 61 4674 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 . . 2002-09-23 2000-02-28 original author . 4674 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4674 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20473232 _Citation.DOI . _Citation.PubMed_ID 11017201 _Citation.Full_citation . _Citation.Title 'Structural Proteomics of an archaeon' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 903 _Citation.Page_last 909 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Christendat . . . 4674 1 2 A. Yee . . . 4674 1 3 A. Dharamsi . . . 4674 1 4 Y. Kluger . . . 4674 1 5 A. Savachenko . . . 4674 1 6 J. Cort . R. . 4674 1 7 Valerie Booth . . . 4674 1 8 C. Mackereth . D. . 4674 1 9 V. Saridakis . . . 4674 1 10 I. Ekiel . . . 4674 1 11 G. Kozlov . . . 4674 1 12 K. Maxwell . L. . 4674 1 13 N. Wu . . . 4674 1 14 L. McIntosh . P. . 4674 1 15 K. Gehring . . . 4674 1 16 M. Kennedy . A. . 4674 1 17 A. Davidson . R. . 4674 1 18 E. Pai . F. . 4674 1 19 M. Gerstein . . . 4674 1 20 Aled Edwards . . . 4674 1 21 Cheryl Arrowsmith . . . 4674 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_mt1615 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_mt1615 _Assembly.Entry_ID 4674 _Assembly.ID 1 _Assembly.Name mt1615 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4674 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 mt1615 1 $mt1615 . . . native . . . . . 4674 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID mt1615 system 4674 1 mt1615 abbreviation 4674 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mt1615 _Entity.Sf_category entity _Entity.Sf_framecode mt1615 _Entity.Entry_ID 4674 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mt1615 _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 ; MRQQLEMQKKQIMMQILTPE ARSRLANLRLTRPDFVEQIE LQLIQLAQMGRVRSKITDEQ LKELLKRVAGKKREIKISRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1EIJ . "Nmr Ensemble Of Methanobacterium Thermoautotrophicum Protein 1615" . . . . . 100.00 80 100.00 100.00 1.60e-45 . . . . 4674 1 2 no DBJ BAM70722 . "conserved hypothetical protein [Methanothermobacter sp. CaT2]" . . . . . 100.00 111 100.00 100.00 1.51e-45 . . . . 4674 1 3 no GB AAB86088 . "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 111 100.00 100.00 1.51e-45 . . . . 4674 1 4 no GB ADL57810 . "predicted DNA-binding protein [Methanothermobacter marburgensis str. Marburg]" . . . . . 100.00 111 97.50 100.00 3.50e-44 . . . . 4674 1 5 no REF WP_010877223 . "MULTISPECIES: hypothetical protein [Methanothermobacter]" . . . . . 100.00 111 100.00 100.00 1.51e-45 . . . . 4674 1 6 no REF WP_013295037 . "hypothetical protein [Methanothermobacter marburgensis]" . . . . . 100.00 111 97.50 100.00 3.50e-44 . . . . 4674 1 7 no SP O27652 . "RecName: Full=DNA-binding protein MTH_1615" . . . . . 100.00 111 100.00 100.00 1.51e-45 . . . . 4674 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID mt1615 common 4674 1 mt1615 abbreviation 4674 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4674 1 2 . ARG . 4674 1 3 . GLN . 4674 1 4 . GLN . 4674 1 5 . LEU . 4674 1 6 . GLU . 4674 1 7 . MET . 4674 1 8 . GLN . 4674 1 9 . LYS . 4674 1 10 . LYS . 4674 1 11 . GLN . 4674 1 12 . ILE . 4674 1 13 . MET . 4674 1 14 . MET . 4674 1 15 . GLN . 4674 1 16 . ILE . 4674 1 17 . LEU . 4674 1 18 . THR . 4674 1 19 . PRO . 4674 1 20 . GLU . 4674 1 21 . ALA . 4674 1 22 . ARG . 4674 1 23 . SER . 4674 1 24 . ARG . 4674 1 25 . LEU . 4674 1 26 . ALA . 4674 1 27 . ASN . 4674 1 28 . LEU . 4674 1 29 . ARG . 4674 1 30 . LEU . 4674 1 31 . THR . 4674 1 32 . ARG . 4674 1 33 . PRO . 4674 1 34 . ASP . 4674 1 35 . PHE . 4674 1 36 . VAL . 4674 1 37 . GLU . 4674 1 38 . GLN . 4674 1 39 . ILE . 4674 1 40 . GLU . 4674 1 41 . LEU . 4674 1 42 . GLN . 4674 1 43 . LEU . 4674 1 44 . ILE . 4674 1 45 . GLN . 4674 1 46 . LEU . 4674 1 47 . ALA . 4674 1 48 . GLN . 4674 1 49 . MET . 4674 1 50 . GLY . 4674 1 51 . ARG . 4674 1 52 . VAL . 4674 1 53 . ARG . 4674 1 54 . SER . 4674 1 55 . LYS . 4674 1 56 . ILE . 4674 1 57 . THR . 4674 1 58 . ASP . 4674 1 59 . GLU . 4674 1 60 . GLN . 4674 1 61 . LEU . 4674 1 62 . LYS . 4674 1 63 . GLU . 4674 1 64 . LEU . 4674 1 65 . LEU . 4674 1 66 . LYS . 4674 1 67 . ARG . 4674 1 68 . VAL . 4674 1 69 . ALA . 4674 1 70 . GLY . 4674 1 71 . LYS . 4674 1 72 . LYS . 4674 1 73 . ARG . 4674 1 74 . GLU . 4674 1 75 . ILE . 4674 1 76 . LYS . 4674 1 77 . ILE . 4674 1 78 . SER . 4674 1 79 . ARG . 4674 1 80 . LYS . 4674 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 4674 1 . ARG 2 2 4674 1 . GLN 3 3 4674 1 . GLN 4 4 4674 1 . LEU 5 5 4674 1 . GLU 6 6 4674 1 . MET 7 7 4674 1 . GLN 8 8 4674 1 . LYS 9 9 4674 1 . LYS 10 10 4674 1 . GLN 11 11 4674 1 . ILE 12 12 4674 1 . MET 13 13 4674 1 . MET 14 14 4674 1 . GLN 15 15 4674 1 . ILE 16 16 4674 1 . LEU 17 17 4674 1 . THR 18 18 4674 1 . PRO 19 19 4674 1 . GLU 20 20 4674 1 . ALA 21 21 4674 1 . ARG 22 22 4674 1 . SER 23 23 4674 1 . ARG 24 24 4674 1 . LEU 25 25 4674 1 . ALA 26 26 4674 1 . ASN 27 27 4674 1 . LEU 28 28 4674 1 . ARG 29 29 4674 1 . LEU 30 30 4674 1 . THR 31 31 4674 1 . ARG 32 32 4674 1 . PRO 33 33 4674 1 . ASP 34 34 4674 1 . PHE 35 35 4674 1 . VAL 36 36 4674 1 . GLU 37 37 4674 1 . GLN 38 38 4674 1 . ILE 39 39 4674 1 . GLU 40 40 4674 1 . LEU 41 41 4674 1 . GLN 42 42 4674 1 . LEU 43 43 4674 1 . ILE 44 44 4674 1 . GLN 45 45 4674 1 . LEU 46 46 4674 1 . ALA 47 47 4674 1 . GLN 48 48 4674 1 . MET 49 49 4674 1 . GLY 50 50 4674 1 . ARG 51 51 4674 1 . VAL 52 52 4674 1 . ARG 53 53 4674 1 . SER 54 54 4674 1 . LYS 55 55 4674 1 . ILE 56 56 4674 1 . THR 57 57 4674 1 . ASP 58 58 4674 1 . GLU 59 59 4674 1 . GLN 60 60 4674 1 . LEU 61 61 4674 1 . LYS 62 62 4674 1 . GLU 63 63 4674 1 . LEU 64 64 4674 1 . LEU 65 65 4674 1 . LYS 66 66 4674 1 . ARG 67 67 4674 1 . VAL 68 68 4674 1 . ALA 69 69 4674 1 . GLY 70 70 4674 1 . LYS 71 71 4674 1 . LYS 72 72 4674 1 . ARG 73 73 4674 1 . GLU 74 74 4674 1 . ILE 75 75 4674 1 . LYS 76 76 4674 1 . ILE 77 77 4674 1 . SER 78 78 4674 1 . ARG 79 79 4674 1 . LYS 80 80 4674 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 4674 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $mt1615 . 2166 organism . 'Methanobacterium thermoautotrophicum' 'Methanobacterium thermoautotrophicum' . . Archaea . Methanobacterium thermoautotrophicum . . . . . . . . . . . . . . . . . . . . . 4674 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 4674 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $mt1615 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4674 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4674 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 mt1615 . . . 1 $mt1615 . . 1.7 . . mM . . . . 4674 1 stop_ save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ex-cond_1 _Sample_condition_list.Entry_ID 4674 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 pH 4674 1 temperature 298 0.1 K 4674 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4674 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4674 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4674 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian UnityPlus . 500 . . . 4674 1 2 spectrometer_2 Varian Unity . 600 . . . 4674 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 4674 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4674 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4674 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.772 internal direct . internal cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4674 1 N 15 urea nitrogen . . . . ppm 78.98 external direct . external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4674 1 C 13 'sodium acetate' 'methyl carbon' . . . . ppm 25.84 external direct . external_to_the_sample spherical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4674 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4674 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4674 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 GLN CA C 13 57.78 0.1 . . . . . . . . . . 4674 1 2 . 1 1 4 4 GLN CB C 13 28.76 0.1 . . . . . . . . . . 4674 1 3 . 1 1 4 4 GLN CG C 13 33.96 0.1 . . . . . . . . . . 4674 1 4 . 1 1 5 5 LEU H H 1 8.23 0.02 . . . . . . . . . . 4674 1 5 . 1 1 5 5 LEU CA C 13 57.35 0.1 . . . . . . . . . . 4674 1 6 . 1 1 5 5 LEU HA H 1 4.32 0.02 . . . . . . . . . . 4674 1 7 . 1 1 5 5 LEU CB C 13 41.94 0.1 . . . . . . . . . . 4674 1 8 . 1 1 5 5 LEU HB3 H 1 1.78 0.02 . . . . . . . . . . 4674 1 9 . 1 1 5 5 LEU CG C 13 26.97 0.1 . . . . . . . . . . 4674 1 10 . 1 1 5 5 LEU CD2 C 13 24.61 0.1 . . . . . . . . . . 4674 1 11 . 1 1 5 5 LEU CD1 C 13 23.72 0.1 . . . . . . . . . . 4674 1 12 . 1 1 5 5 LEU HB2 H 1 1.89 0.02 . . . . . . . . . . 4674 1 13 . 1 1 6 6 GLU N N 15 120.49 0.1 . . . . . . . . . . 4674 1 14 . 1 1 6 6 GLU H H 1 8.37 0.02 . . . . . . . . . . 4674 1 15 . 1 1 6 6 GLU CA C 13 58.87 0.1 . . . . . . . . . . 4674 1 16 . 1 1 6 6 GLU HA H 1 4.21 0.02 . . . . . . . . . . 4674 1 17 . 1 1 6 6 GLU CB C 13 29.82 0.1 . . . . . . . . . . 4674 1 18 . 1 1 6 6 GLU HB2 H 1 2.22 0.02 . 1 . . . . . . . . 4674 1 19 . 1 1 6 6 GLU HB3 H 1 2.22 0.02 . 1 . . . . . . . . 4674 1 20 . 1 1 6 6 GLU HG2 H 1 2.49 0.02 . 1 . . . . . . . . 4674 1 21 . 1 1 6 6 GLU HG3 H 1 2.49 0.02 . 1 . . . . . . . . 4674 1 22 . 1 1 8 8 GLN CA C 13 57.70 0.1 . . . . . . . . . . 4674 1 23 . 1 1 8 8 GLN CB C 13 32.17 0.1 . . . . . . . . . . 4674 1 24 . 1 1 8 8 GLN CG C 13 34.05 0.1 . . . . . . . . . . 4674 1 25 . 1 1 9 9 LYS N N 15 120.56 0.1 . . . . . . . . . . 4674 1 26 . 1 1 9 9 LYS H H 1 8.24 0.02 . . . . . . . . . . 4674 1 27 . 1 1 9 9 LYS CA C 13 60.14 0.1 . . . . . . . . . . 4674 1 28 . 1 1 9 9 LYS HA H 1 4.34 0.02 . . . . . . . . . . 4674 1 29 . 1 1 9 9 LYS CB C 13 32.27 0.1 . . . . . . . . . . 4674 1 30 . 1 1 9 9 LYS HB3 H 1 2.30 0.02 . . . . . . . . . . 4674 1 31 . 1 1 9 9 LYS CG C 13 25.10 0.1 . . . . . . . . . . 4674 1 32 . 1 1 9 9 LYS CD C 13 29.49 0.1 . . . . . . . . . . 4674 1 33 . 1 1 9 9 LYS CE C 13 41.69 0.1 . . . . . . . . . . 4674 1 34 . 1 1 9 9 LYS HB2 H 1 2.57 0.02 . . . . . . . . . . 4674 1 35 . 1 1 10 10 LYS N N 15 118.55 0.1 . . . . . . . . . . 4674 1 36 . 1 1 10 10 LYS H H 1 8.13 0.02 . . . . . . . . . . 4674 1 37 . 1 1 10 10 LYS CA C 13 59.77 0.1 . . . . . . . . . . 4674 1 38 . 1 1 10 10 LYS HA H 1 4.11 0.02 . . . . . . . . . . 4674 1 39 . 1 1 10 10 LYS CB C 13 32.29 0.1 . . . . . . . . . . 4674 1 40 . 1 1 10 10 LYS CG C 13 25.10 0.1 . . . . . . . . . . 4674 1 41 . 1 1 10 10 LYS CD C 13 29.25 0.1 . . . . . . . . . . 4674 1 42 . 1 1 10 10 LYS CE C 13 42.25 0.1 . . . . . . . . . . 4674 1 43 . 1 1 10 10 LYS HB2 H 1 2.04 0.02 . 1 . . . . . . . . 4674 1 44 . 1 1 10 10 LYS HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4674 1 45 . 1 1 10 10 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 4674 1 46 . 1 1 10 10 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 4674 1 47 . 1 1 11 11 GLN N N 15 118.07 0.1 . . . . . . . . . . 4674 1 48 . 1 1 11 11 GLN H H 1 7.92 0.02 . . . . . . . . . . 4674 1 49 . 1 1 11 11 GLN CA C 13 58.82 0.1 . . . . . . . . . . 4674 1 50 . 1 1 11 11 GLN HA H 1 4.19 0.02 . . . . . . . . . . 4674 1 51 . 1 1 11 11 GLN CB C 13 28.45 0.1 . . . . . . . . . . 4674 1 52 . 1 1 11 11 GLN CG C 13 27.10 0.1 . . . . . . . . . . 4674 1 53 . 1 1 11 11 GLN HG2 H 1 1.98 0.02 . 1 . . . . . . . . 4674 1 54 . 1 1 11 11 GLN HG3 H 1 1.98 0.02 . 1 . . . . . . . . 4674 1 55 . 1 1 11 11 GLN HB2 H 1 2.31 0.02 . 1 . . . . . . . . 4674 1 56 . 1 1 11 11 GLN HB3 H 1 2.31 0.02 . 1 . . . . . . . . 4674 1 57 . 1 1 12 12 ILE N N 15 120.42 0.1 . . . . . . . . . . 4674 1 58 . 1 1 12 12 ILE H H 1 8.08 0.02 . . . . . . . . . . 4674 1 59 . 1 1 12 12 ILE CA C 13 64.66 0.1 . . . . . . . . . . 4674 1 60 . 1 1 12 12 ILE HA H 1 4.33 0.02 . . . . . . . . . . 4674 1 61 . 1 1 12 12 ILE CB C 13 38.04 0.1 . . . . . . . . . . 4674 1 62 . 1 1 12 12 ILE HG21 H 1 1.05 0.02 . 3 . . . . . . . . 4674 1 63 . 1 1 12 12 ILE HG22 H 1 1.05 0.02 . 3 . . . . . . . . 4674 1 64 . 1 1 12 12 ILE HG23 H 1 1.05 0.02 . 3 . . . . . . . . 4674 1 65 . 1 1 12 12 ILE CG2 C 13 17.71 0.1 . . . . . . . . . . 4674 1 66 . 1 1 12 12 ILE CG1 C 13 28.69 0.1 . . . . . . . . . . 4674 1 67 . 1 1 12 12 ILE HG13 H 1 1.43 0.02 . . . . . . . . . . 4674 1 68 . 1 1 12 12 ILE HG12 H 1 1.85 0.02 . . . . . . . . . . 4674 1 69 . 1 1 12 12 ILE HD11 H 1 0.97 0.02 . 3 . . . . . . . . 4674 1 70 . 1 1 12 12 ILE HD12 H 1 0.97 0.02 . 3 . . . . . . . . 4674 1 71 . 1 1 12 12 ILE HD13 H 1 0.97 0.02 . 3 . . . . . . . . 4674 1 72 . 1 1 12 12 ILE CD1 C 13 13.26 0.1 . . . . . . . . . . 4674 1 73 . 1 1 12 12 ILE HB H 1 2.16 0.02 . 1 . . . . . . . . 4674 1 74 . 1 1 13 13 MET N N 15 118.28 0.1 . . . . . . . . . . 4674 1 75 . 1 1 13 13 MET H H 1 8.35 0.02 . . . . . . . . . . 4674 1 76 . 1 1 13 13 MET CA C 13 57.53 0.1 . . . . . . . . . . 4674 1 77 . 1 1 13 13 MET HA H 1 4.40 0.02 . . . . . . . . . . 4674 1 78 . 1 1 13 13 MET CB C 13 31.69 0.1 . . . . . . . . . . 4674 1 79 . 1 1 13 13 MET HB3 H 1 2.02 0.02 . . . . . . . . . . 4674 1 80 . 1 1 13 13 MET HB2 H 1 2.35 0.02 . . . . . . . . . . 4674 1 81 . 1 1 13 13 MET CG C 13 32.74 0.1 . . . . . . . . . . 4674 1 82 . 1 1 14 14 MET N N 15 115.65 0.1 . . . . . . . . . . 4674 1 83 . 1 1 14 14 MET H H 1 7.83 0.02 . . . . . . . . . . 4674 1 84 . 1 1 14 14 MET CA C 13 57.54 0.1 . . . . . . . . . . 4674 1 85 . 1 1 14 14 MET HA H 1 4.35 0.02 . . . . . . . . . . 4674 1 86 . 1 1 14 14 MET CB C 13 32.17 0.1 . . . . . . . . . . 4674 1 87 . 1 1 14 14 MET CG C 13 32.17 0.1 . . . . . . . . . . 4674 1 88 . 1 1 14 14 MET HB2 H 1 2.33 0.02 . 1 . . . . . . . . 4674 1 89 . 1 1 14 14 MET HB3 H 1 2.33 0.02 . 1 . . . . . . . . 4674 1 90 . 1 1 14 14 MET HG2 H 1 2.84 0.02 . . . . . . . . . . 4674 1 91 . 1 1 14 14 MET HG3 H 1 2.73 0.02 . . . . . . . . . . 4674 1 92 . 1 1 15 15 GLN N N 15 116.54 0.1 . . . . . . . . . . 4674 1 93 . 1 1 15 15 GLN H H 1 7.76 0.02 . . . . . . . . . . 4674 1 94 . 1 1 15 15 GLN CA C 13 57.49 0.1 . . . . . . . . . . 4674 1 95 . 1 1 15 15 GLN HA H 1 4.39 0.02 . . . . . . . . . . 4674 1 96 . 1 1 15 15 GLN CB C 13 30.95 0.1 . . . . . . . . . . 4674 1 97 . 1 1 15 15 GLN CG C 13 33.72 0.1 . . . . . . . . . . 4674 1 98 . 1 1 15 15 GLN HG2 H 1 2.66 0.02 . . . . . . . . . . 4674 1 99 . 1 1 15 15 GLN HG3 H 1 2.53 0.02 . . . . . . . . . . 4674 1 100 . 1 1 15 15 GLN HB2 H 1 2.36 0.02 . 1 . . . . . . . . 4674 1 101 . 1 1 15 15 GLN HB3 H 1 2.36 0.02 . 1 . . . . . . . . 4674 1 102 . 1 1 16 16 ILE N N 15 110.95 0.1 . . . . . . . . . . 4674 1 103 . 1 1 16 16 ILE H H 1 7.89 0.02 . . . . . . . . . . 4674 1 104 . 1 1 16 16 ILE CA C 13 62.55 0.1 . . . . . . . . . . 4674 1 105 . 1 1 16 16 ILE HA H 1 4.67 0.02 . . . . . . . . . . 4674 1 106 . 1 1 16 16 ILE CB C 13 39.85 0.1 . . . . . . . . . . 4674 1 107 . 1 1 16 16 ILE CG2 C 13 17.59 0.1 . . . . . . . . . . 4674 1 108 . 1 1 16 16 ILE CG1 C 13 26.32 0.1 . . . . . . . . . . 4674 1 109 . 1 1 16 16 ILE HG12 H 1 1.63 0.02 . 1 . . . . . . . . 4674 1 110 . 1 1 16 16 ILE HG13 H 1 1.63 0.02 . 1 . . . . . . . . 4674 1 111 . 1 1 16 16 ILE HD11 H 1 0.91 0.02 . 3 . . . . . . . . 4674 1 112 . 1 1 16 16 ILE HD12 H 1 0.91 0.02 . 3 . . . . . . . . 4674 1 113 . 1 1 16 16 ILE HD13 H 1 0.91 0.02 . 3 . . . . . . . . 4674 1 114 . 1 1 16 16 ILE CD1 C 13 15.22 0.1 . . . . . . . . . . 4674 1 115 . 1 1 16 16 ILE HG21 H 1 1.07 0.02 . 3 . . . . . . . . 4674 1 116 . 1 1 16 16 ILE HG22 H 1 1.07 0.02 . 3 . . . . . . . . 4674 1 117 . 1 1 16 16 ILE HG23 H 1 1.07 0.02 . 3 . . . . . . . . 4674 1 118 . 1 1 16 16 ILE HB H 1 2.31 0.02 . 1 . . . . . . . . 4674 1 119 . 1 1 17 17 LEU N N 15 120.28 0.1 . . . . . . . . . . 4674 1 120 . 1 1 17 17 LEU H H 1 7.56 0.02 . . . . . . . . . . 4674 1 121 . 1 1 17 17 LEU CA C 13 53.82 0.1 . . . . . . . . . . 4674 1 122 . 1 1 17 17 LEU HA H 1 5.25 0.02 . . . . . . . . . . 4674 1 123 . 1 1 17 17 LEU CB C 13 45.02 0.1 . . . . . . . . . . 4674 1 124 . 1 1 17 17 LEU HB3 H 1 1.75 0.02 . . . . . . . . . . 4674 1 125 . 1 1 17 17 LEU HB2 H 1 2.05 0.02 . . . . . . . . . . 4674 1 126 . 1 1 17 17 LEU CG C 13 27.22 0.1 . . . . . . . . . . 4674 1 127 . 1 1 17 17 LEU HD11 H 1 1.00 0.02 . 3 . . . . . . . . 4674 1 128 . 1 1 17 17 LEU HD12 H 1 1.00 0.02 . 3 . . . . . . . . 4674 1 129 . 1 1 17 17 LEU HD13 H 1 1.00 0.02 . 3 . . . . . . . . 4674 1 130 . 1 1 17 17 LEU HD21 H 1 1.00 0.02 . 3 . . . . . . . . 4674 1 131 . 1 1 17 17 LEU HD22 H 1 1.00 0.02 . 3 . . . . . . . . 4674 1 132 . 1 1 17 17 LEU HD23 H 1 1.00 0.02 . 3 . . . . . . . . 4674 1 133 . 1 1 17 17 LEU HG H 1 2.00 0.02 . 1 . . . . . . . . 4674 1 134 . 1 1 17 17 LEU CD1 C 13 23.92 0.1 . 1 . . . . . . . . 4674 1 135 . 1 1 17 17 LEU CD2 C 13 23.92 0.1 . 1 . . . . . . . . 4674 1 136 . 1 1 18 18 THR N N 15 112.38 0.1 . . . . . . . . . . 4674 1 137 . 1 1 18 18 THR H H 1 8.16 0.02 . . . . . . . . . . 4674 1 138 . 1 1 18 18 THR CA C 13 60.85 0.1 . . . . . . . . . . 4674 1 139 . 1 1 18 18 THR HA H 1 4.61 0.02 . . . . . . . . . . 4674 1 140 . 1 1 18 18 THR CB C 13 68.68 0.1 . . . . . . . . . . 4674 1 141 . 1 1 18 18 THR HB H 1 5.06 0.02 . 1 . . . . . . . . 4674 1 142 . 1 1 18 18 THR CG2 C 13 24.00 0.1 . . . . . . . . . . 4674 1 143 . 1 1 18 18 THR HG21 H 1 1.51 0.02 . 3 . . . . . . . . 4674 1 144 . 1 1 18 18 THR HG22 H 1 1.51 0.02 . 3 . . . . . . . . 4674 1 145 . 1 1 18 18 THR HG23 H 1 1.51 0.02 . 3 . . . . . . . . 4674 1 146 . 1 1 19 19 PRO CD C 13 50.51 0.1 . . . . . . . . . . 4674 1 147 . 1 1 19 19 PRO CA C 13 66.03 0.1 . . . . . . . . . . 4674 1 148 . 1 1 19 19 PRO HA H 1 4.26 0.02 . . . . . . . . . . 4674 1 149 . 1 1 19 19 PRO CB C 13 31.77 0.1 . . . . . . . . . . 4674 1 150 . 1 1 19 19 PRO HB3 H 1 2.10 0.02 . . . . . . . . . . 4674 1 151 . 1 1 19 19 PRO HB2 H 1 2.55 0.02 . . . . . . . . . . 4674 1 152 . 1 1 19 19 PRO CG C 13 28.03 0.1 . . . . . . . . . . 4674 1 153 . 1 1 19 19 PRO HG3 H 1 2.22 0.02 . . . . . . . . . . 4674 1 154 . 1 1 19 19 PRO HG2 H 1 2.55 0.02 . . . . . . . . . . 4674 1 155 . 1 1 19 19 PRO HD3 H 1 4.07 0.02 . . . . . . . . . . 4674 1 156 . 1 1 19 19 PRO HD2 H 1 4.10 0.02 . . . . . . . . . . 4674 1 157 . 1 1 20 20 GLU N N 15 118.07 0.1 . . . . . . . . . . 4674 1 158 . 1 1 20 20 GLU H H 1 9.38 0.02 . . . . . . . . . . 4674 1 159 . 1 1 20 20 GLU CA C 13 60.55 0.1 . . . . . . . . . . 4674 1 160 . 1 1 20 20 GLU HA H 1 4.19 0.02 . . . . . . . . . . 4674 1 161 . 1 1 20 20 GLU CB C 13 29.20 0.1 . . . . . . . . . . 4674 1 162 . 1 1 20 20 GLU CG C 13 37.02 0.1 . . . . . . . . . . 4674 1 163 . 1 1 20 20 GLU HG3 H 1 2.47 0.02 . . . . . . . . . . 4674 1 164 . 1 1 20 20 GLU HG2 H 1 2.76 0.02 . . . . . . . . . . 4674 1 165 . 1 1 20 20 GLU HB2 H 1 2.28 0.02 . . . . . . . . . . 4674 1 166 . 1 1 20 20 GLU HB3 H 1 2.09 0.02 . . . . . . . . . . 4674 1 167 . 1 1 21 21 ALA N N 15 124.05 0.1 . . . . . . . . . . 4674 1 168 . 1 1 21 21 ALA H H 1 7.64 0.02 . . . . . . . . . . 4674 1 169 . 1 1 21 21 ALA CA C 13 54.64 0.1 . . . . . . . . . . 4674 1 170 . 1 1 21 21 ALA HA H 1 4.48 0.02 . . . . . . . . . . 4674 1 171 . 1 1 21 21 ALA CB C 13 19.15 0.1 . . . . . . . . . . 4674 1 172 . 1 1 21 21 ALA HB1 H 1 1.57 0.02 . 3 . . . . . . . . 4674 1 173 . 1 1 21 21 ALA HB2 H 1 1.57 0.02 . 3 . . . . . . . . 4674 1 174 . 1 1 21 21 ALA HB3 H 1 1.57 0.02 . 3 . . . . . . . . 4674 1 175 . 1 1 22 22 ARG N N 15 117.64 0.1 . . . . . . . . . . 4674 1 176 . 1 1 22 22 ARG H H 1 8.54 0.02 . . . . . . . . . . 4674 1 177 . 1 1 22 22 ARG CA C 13 60.43 0.1 . . . . . . . . . . 4674 1 178 . 1 1 22 22 ARG HA H 1 3.95 0.02 . . . . . . . . . . 4674 1 179 . 1 1 22 22 ARG CB C 13 30.12 0.1 . . . . . . . . . . 4674 1 180 . 1 1 22 22 ARG CG C 13 29.23 0.1 . . . . . . . . . . 4674 1 181 . 1 1 22 22 ARG HG3 H 1 1.68 0.02 . . . . . . . . . . 4674 1 182 . 1 1 22 22 ARG HG2 H 1 1.86 0.02 . . . . . . . . . . 4674 1 183 . 1 1 22 22 ARG CD C 13 43.80 0.1 . . . . . . . . . . 4674 1 184 . 1 1 22 22 ARG HB2 H 1 2.02 0.02 . 1 . . . . . . . . 4674 1 185 . 1 1 22 22 ARG HB3 H 1 2.02 0.02 . 1 . . . . . . . . 4674 1 186 . 1 1 22 22 ARG HD2 H 1 3.33 0.02 . 1 . . . . . . . . 4674 1 187 . 1 1 22 22 ARG HD3 H 1 3.33 0.02 . 1 . . . . . . . . 4674 1 188 . 1 1 23 23 SER N N 15 116.72 0.1 . . . . . . . . . . 4674 1 189 . 1 1 23 23 SER H H 1 8.39 0.02 . . . . . . . . . . 4674 1 190 . 1 1 23 23 SER CA C 13 61.95 0.1 . . . . . . . . . . 4674 1 191 . 1 1 23 23 SER HA H 1 4.36 0.02 . . . . . . . . . . 4674 1 192 . 1 1 23 23 SER CB C 13 62.82 0.1 . . . . . . . . . . 4674 1 193 . 1 1 23 23 SER HB2 H 1 4.12 0.02 . 1 . . . . . . . . 4674 1 194 . 1 1 23 23 SER HB3 H 1 4.12 0.02 . 1 . . . . . . . . 4674 1 195 . 1 1 24 24 ARG N N 15 123.69 0.1 . . . . . . . . . . 4674 1 196 . 1 1 24 24 ARG H H 1 7.88 0.02 . . . . . . . . . . 4674 1 197 . 1 1 24 24 ARG CA C 13 59.84 0.1 . . . . . . . . . . 4674 1 198 . 1 1 24 24 ARG HA H 1 4.20 0.02 . . . . . . . . . . 4674 1 199 . 1 1 24 24 ARG CB C 13 29.25 0.1 . . . . . . . . . . 4674 1 200 . 1 1 24 24 ARG HB3 H 1 2.11 0.02 . . . . . . . . . . 4674 1 201 . 1 1 24 24 ARG HB2 H 1 2.33 0.02 . . . . . . . . . . 4674 1 202 . 1 1 24 24 ARG CG C 13 27.30 0.1 . . . . . . . . . . 4674 1 203 . 1 1 24 24 ARG HG3 H 1 1.40 0.02 . . . . . . . . . . 4674 1 204 . 1 1 24 24 ARG HG2 H 1 1.93 0.02 . . . . . . . . . . 4674 1 205 . 1 1 24 24 ARG CD C 13 41.69 0.1 . . . . . . . . . . 4674 1 206 . 1 1 24 24 ARG HD3 H 1 2.95 0.02 . . . . . . . . . . 4674 1 207 . 1 1 24 24 ARG HD2 H 1 3.59 0.02 . . . . . . . . . . 4674 1 208 . 1 1 25 25 LEU N N 15 118.78 0.1 . . . . . . . . . . 4674 1 209 . 1 1 25 25 LEU H H 1 7.94 0.02 . . . . . . . . . . 4674 1 210 . 1 1 25 25 LEU CA C 13 58.59 0.1 . . . . . . . . . . 4674 1 211 . 1 1 25 25 LEU HA H 1 4.13 0.02 . . . . . . . . . . 4674 1 212 . 1 1 25 25 LEU CB C 13 41.13 0.1 . . . . . . . . . . 4674 1 213 . 1 1 25 25 LEU CG C 13 29.17 0.1 . . . . . . . . . . 4674 1 214 . 1 1 25 25 LEU CD2 C 13 25.62 0.1 . . . . . . . . . . 4674 1 215 . 1 1 25 25 LEU CD1 C 13 23.64 0.1 . . . . . . . . . . 4674 1 216 . 1 1 25 25 LEU HD11 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 217 . 1 1 25 25 LEU HD12 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 218 . 1 1 25 25 LEU HD13 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 219 . 1 1 25 25 LEU HD21 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 220 . 1 1 25 25 LEU HD22 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 221 . 1 1 25 25 LEU HD23 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 222 . 1 1 25 25 LEU HB2 H 1 1.92 0.02 . . . . . . . . . . 4674 1 223 . 1 1 25 25 LEU HB3 H 1 1.71 0.02 . . . . . . . . . . 4674 1 224 . 1 1 26 26 ALA N N 15 121.56 0.1 . . . . . . . . . . 4674 1 225 . 1 1 26 26 ALA H H 1 8.31 0.02 . . . . . . . . . . 4674 1 226 . 1 1 26 26 ALA CA C 13 55.19 0.1 . . . . . . . . . . 4674 1 227 . 1 1 26 26 ALA HA H 1 4.19 0.02 . . . . . . . . . . 4674 1 228 . 1 1 26 26 ALA CB C 13 17.92 0.1 . . . . . . . . . . 4674 1 229 . 1 1 26 26 ALA HB1 H 1 1.64 0.02 . 3 . . . . . . . . 4674 1 230 . 1 1 26 26 ALA HB2 H 1 1.64 0.02 . 3 . . . . . . . . 4674 1 231 . 1 1 26 26 ALA HB3 H 1 1.64 0.02 . 3 . . . . . . . . 4674 1 232 . 1 1 27 27 ASN N N 15 116.65 0.1 . . . . . . . . . . 4674 1 233 . 1 1 27 27 ASN H H 1 8.02 0.02 . . . . . . . . . . 4674 1 234 . 1 1 27 27 ASN CA C 13 56.01 0.1 . . . . . . . . . . 4674 1 235 . 1 1 27 27 ASN HA H 1 4.69 0.02 . . . . . . . . . . 4674 1 236 . 1 1 27 27 ASN CB C 13 38.86 0.1 . . . . . . . . . . 4674 1 237 . 1 1 27 27 ASN HB3 H 1 2.92 0.02 . . . . . . . . . . 4674 1 238 . 1 1 27 27 ASN HB2 H 1 3.04 0.02 . . . . . . . . . . 4674 1 239 . 1 1 28 28 LEU N N 15 122.91 0.1 . . . . . . . . . . 4674 1 240 . 1 1 28 28 LEU H H 1 8.24 0.02 . . . . . . . . . . 4674 1 241 . 1 1 28 28 LEU CA C 13 56.91 0.1 . . . . . . . . . . 4674 1 242 . 1 1 28 28 LEU HA H 1 4.37 0.02 . . . . . . . . . . 4674 1 243 . 1 1 28 28 LEU CB C 13 42.65 0.1 . . . . . . . . . . 4674 1 244 . 1 1 28 28 LEU CG C 13 26.97 0.1 . . . . . . . . . . 4674 1 245 . 1 1 28 28 LEU CD1 C 13 24.80 0.1 . 1 . . . . . . . . 4674 1 246 . 1 1 28 28 LEU CD2 C 13 24.80 0.1 . 1 . . . . . . . . 4674 1 247 . 1 1 28 28 LEU HD11 H 1 1.08 0.02 . 3 . . . . . . . . 4674 1 248 . 1 1 28 28 LEU HD12 H 1 1.08 0.02 . 3 . . . . . . . . 4674 1 249 . 1 1 28 28 LEU HD13 H 1 1.08 0.02 . 3 . . . . . . . . 4674 1 250 . 1 1 28 28 LEU HD21 H 1 1.08 0.02 . 3 . . . . . . . . 4674 1 251 . 1 1 28 28 LEU HD22 H 1 1.08 0.02 . 3 . . . . . . . . 4674 1 252 . 1 1 28 28 LEU HD23 H 1 1.08 0.02 . 3 . . . . . . . . 4674 1 253 . 1 1 28 28 LEU HB2 H 1 1.91 0.02 . . . . . . . . . . 4674 1 254 . 1 1 28 28 LEU HB3 H 1 1.75 0.02 . . . . . . . . . . 4674 1 255 . 1 1 29 29 ARG N N 15 120.28 0.1 . . . . . . . . . . 4674 1 256 . 1 1 29 29 ARG H H 1 8.30 0.02 . . . . . . . . . . 4674 1 257 . 1 1 29 29 ARG CA C 13 58.93 0.1 . . . . . . . . . . 4674 1 258 . 1 1 29 29 ARG HA H 1 3.68 0.02 . . . . . . . . . . 4674 1 259 . 1 1 29 29 ARG CB C 13 30.34 0.1 . . . . . . . . . . 4674 1 260 . 1 1 29 29 ARG HB3 H 1 1.95 0.02 . . . . . . . . . . 4674 1 261 . 1 1 29 29 ARG HB2 H 1 2.21 0.02 . . . . . . . . . . 4674 1 262 . 1 1 29 29 ARG CG C 13 28.44 0.1 . . . . . . . . . . 4674 1 263 . 1 1 29 29 ARG CD C 13 43.23 0.1 . . . . . . . . . . 4674 1 264 . 1 1 29 29 ARG HD3 H 1 3.33 0.02 . . . . . . . . . . 4674 1 265 . 1 1 29 29 ARG HD2 H 1 3.50 0.02 . . . . . . . . . . 4674 1 266 . 1 1 30 30 LEU N N 15 114.30 0.1 . . . . . . . . . . 4674 1 267 . 1 1 30 30 LEU H H 1 7.29 0.02 . . . . . . . . . . 4674 1 268 . 1 1 30 30 LEU CA C 13 57.18 0.1 . . . . . . . . . . 4674 1 269 . 1 1 30 30 LEU HA H 1 4.28 0.02 . . . . . . . . . . 4674 1 270 . 1 1 30 30 LEU CB C 13 42.24 0.1 . . . . . . . . . . 4674 1 271 . 1 1 30 30 LEU HB3 H 1 1.75 0.02 . . . . . . . . . . 4674 1 272 . 1 1 30 30 LEU HB2 H 1 2.08 0.02 . . . . . . . . . . 4674 1 273 . 1 1 30 30 LEU CG C 13 26.81 0.1 . . . . . . . . . . 4674 1 274 . 1 1 30 30 LEU HD21 H 1 1.16 0.02 . 3 . . . . . . . . 4674 1 275 . 1 1 30 30 LEU HD22 H 1 1.16 0.02 . 3 . . . . . . . . 4674 1 276 . 1 1 30 30 LEU HD23 H 1 1.16 0.02 . 3 . . . . . . . . 4674 1 277 . 1 1 30 30 LEU HD11 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 278 . 1 1 30 30 LEU HD12 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 279 . 1 1 30 30 LEU HD13 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 280 . 1 1 30 30 LEU CD2 C 13 25.02 0.1 . . . . . . . . . . 4674 1 281 . 1 1 30 30 LEU CD1 C 13 22.42 0.1 . . . . . . . . . . 4674 1 282 . 1 1 31 31 THR N N 15 123.69 0.1 . . . . . . . . . . 4674 1 283 . 1 1 31 31 THR H H 1 7.38 0.02 . . . . . . . . . . 4674 1 284 . 1 1 31 31 THR CA C 13 61.91 0.1 . . . . . . . . . . 4674 1 285 . 1 1 31 31 THR HA H 1 4.75 0.02 . . . . . . . . . . 4674 1 286 . 1 1 31 31 THR CB C 13 70.71 0.1 . . . . . . . . . . 4674 1 287 . 1 1 31 31 THR HB H 1 4.37 0.02 . 1 . . . . . . . . 4674 1 288 . 1 1 31 31 THR CG2 C 13 22.10 0.1 . . . . . . . . . . 4674 1 289 . 1 1 31 31 THR HG21 H 1 1.38 0.02 . 3 . . . . . . . . 4674 1 290 . 1 1 31 31 THR HG22 H 1 1.38 0.02 . 3 . . . . . . . . 4674 1 291 . 1 1 31 31 THR HG23 H 1 1.38 0.02 . 3 . . . . . . . . 4674 1 292 . 1 1 32 32 ARG N N 15 121.56 0.1 . . . . . . . . . . 4674 1 293 . 1 1 32 32 ARG H H 1 8.67 0.02 . . . . . . . . . . 4674 1 294 . 1 1 32 32 ARG CA C 13 53.45 0.1 . . . . . . . . . . 4674 1 295 . 1 1 32 32 ARG HA H 1 5.19 0.02 . . . . . . . . . . 4674 1 296 . 1 1 32 32 ARG CB C 13 31.45 0.1 . . . . . . . . . . 4674 1 297 . 1 1 32 32 ARG HB2 H 1 2.21 0.02 . . . . . . . . . . 4674 1 298 . 1 1 32 32 ARG HB3 H 1 1.87 0.02 . . . . . . . . . . 4674 1 299 . 1 1 32 32 ARG CG C 13 25.77 0.1 . . . . . . . . . . 4674 1 300 . 1 1 32 32 ARG HG3 H 1 1.72 0.02 . . . . . . . . . . 4674 1 301 . 1 1 32 32 ARG HG2 H 1 1.87 0.02 . . . . . . . . . . 4674 1 302 . 1 1 32 32 ARG CD C 13 43.58 0.1 . . . . . . . . . . 4674 1 303 . 1 1 32 32 ARG HD3 H 1 3.12 0.02 . . . . . . . . . . 4674 1 304 . 1 1 32 32 ARG HD2 H 1 3.35 0.02 . . . . . . . . . . 4674 1 305 . 1 1 33 33 PRO CD C 13 50.34 0.1 . . . . . . . . . . 4674 1 306 . 1 1 33 33 PRO CA C 13 66.11 0.1 . . . . . . . . . . 4674 1 307 . 1 1 33 33 PRO HA H 1 4.40 0.02 . . . . . . . . . . 4674 1 308 . 1 1 33 33 PRO CB C 13 30.92 0.1 . . . . . . . . . . 4674 1 309 . 1 1 33 33 PRO HB3 H 1 2.27 0.02 . . . . . . . . . . 4674 1 310 . 1 1 33 33 PRO HB2 H 1 2.65 0.02 . . . . . . . . . . 4674 1 311 . 1 1 33 33 PRO HD3 H 1 3.50 0.02 . . . . . . . . . . 4674 1 312 . 1 1 33 33 PRO HD2 H 1 3.89 0.02 . . . . . . . . . . 4674 1 313 . 1 1 33 33 PRO CG C 13 27.46 0.1 . . . . . . . . . . 4674 1 314 . 1 1 33 33 PRO HG3 H 1 2.25 0.02 . . . . . . . . . . 4674 1 315 . 1 1 33 33 PRO HG2 H 1 2.31 0.02 . . . . . . . . . . 4674 1 316 . 1 1 34 34 ASP N N 15 117.93 0.1 . . . . . . . . . . 4674 1 317 . 1 1 34 34 ASP H H 1 8.69 0.02 . . . . . . . . . . 4674 1 318 . 1 1 34 34 ASP CA C 13 56.62 0.1 . . . . . . . . . . 4674 1 319 . 1 1 34 34 ASP HA H 1 4.61 0.02 . . . . . . . . . . 4674 1 320 . 1 1 34 34 ASP CB C 13 39.49 0.1 . . . . . . . . . . 4674 1 321 . 1 1 34 34 ASP HB2 H 1 2.85 0.02 . 1 . . . . . . . . 4674 1 322 . 1 1 34 34 ASP HB3 H 1 2.85 0.02 . 1 . . . . . . . . 4674 1 323 . 1 1 35 35 PHE N N 15 122.70 0.1 . . . . . . . . . . 4674 1 324 . 1 1 35 35 PHE H H 1 7.76 0.02 . . . . . . . . . . 4674 1 325 . 1 1 35 35 PHE CA C 13 59.11 0.1 . . . . . . . . . . 4674 1 326 . 1 1 35 35 PHE HA H 1 4.69 0.02 . . . . . . . . . . 4674 1 327 . 1 1 35 35 PHE CB C 13 39.71 0.1 . . . . . . . . . . 4674 1 328 . 1 1 35 35 PHE CD1 C 13 131.46 0.1 . 1 . . . . . . . . 4674 1 329 . 1 1 35 35 PHE HD1 H 1 7.28 0.02 . 1 . . . . . . . . 4674 1 330 . 1 1 35 35 PHE CD2 C 13 131.46 0.1 . 1 . . . . . . . . 4674 1 331 . 1 1 35 35 PHE HD2 H 1 7.28 0.02 . 1 . . . . . . . . 4674 1 332 . 1 1 35 35 PHE CE1 C 13 131.74 0.1 . 1 . . . . . . . . 4674 1 333 . 1 1 35 35 PHE HE1 H 1 7.40 0.02 . 1 . . . . . . . . 4674 1 334 . 1 1 35 35 PHE CE2 C 13 131.74 0.1 . 1 . . . . . . . . 4674 1 335 . 1 1 35 35 PHE HE2 H 1 7.40 0.02 . 1 . . . . . . . . 4674 1 336 . 1 1 35 35 PHE CZ C 13 120.23 0.1 . . . . . . . . . . 4674 1 337 . 1 1 35 35 PHE HZ H 1 7.31 0.02 . . . . . . . . . . 4674 1 338 . 1 1 35 35 PHE HB2 H 1 3.51 0.02 . . . . . . . . . . 4674 1 339 . 1 1 35 35 PHE HB3 H 1 3.29 0.02 . . . . . . . . . . 4674 1 340 . 1 1 36 36 VAL N N 15 118.21 0.1 . . . . . . . . . . 4674 1 341 . 1 1 36 36 VAL H H 1 7.99 0.02 . . . . . . . . . . 4674 1 342 . 1 1 36 36 VAL CA C 13 67.74 0.1 . . . . . . . . . . 4674 1 343 . 1 1 36 36 VAL HA H 1 3.42 0.02 . . . . . . . . . . 4674 1 344 . 1 1 36 36 VAL CB C 13 31.37 0.1 . . . . . . . . . . 4674 1 345 . 1 1 36 36 VAL HG11 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 346 . 1 1 36 36 VAL HG12 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 347 . 1 1 36 36 VAL HG13 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 348 . 1 1 36 36 VAL HG21 H 1 1.19 0.02 . 3 . . . . . . . . 4674 1 349 . 1 1 36 36 VAL HG22 H 1 1.19 0.02 . 3 . . . . . . . . 4674 1 350 . 1 1 36 36 VAL HG23 H 1 1.19 0.02 . 3 . . . . . . . . 4674 1 351 . 1 1 36 36 VAL CG1 C 13 21.93 0.1 . . . . . . . . . . 4674 1 352 . 1 1 36 36 VAL CG2 C 13 24.30 0.1 . . . . . . . . . . 4674 1 353 . 1 1 36 36 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 4674 1 354 . 1 1 37 37 GLU N N 15 119.99 0.1 . . . . . . . . . . 4674 1 355 . 1 1 37 37 GLU H H 1 8.16 0.02 . . . . . . . . . . 4674 1 356 . 1 1 37 37 GLU CA C 13 59.81 0.1 . . . . . . . . . . 4674 1 357 . 1 1 37 37 GLU CB C 13 29.49 0.1 . . . . . . . . . . 4674 1 358 . 1 1 37 37 GLU HA H 1 4.30 0.02 . . . . . . . . . . 4674 1 359 . 1 1 37 37 GLU CG C 13 36.00 0.1 . . . . . . . . . . 4674 1 360 . 1 1 37 37 GLU HB2 H 1 2.32 0.02 . 1 . . . . . . . . 4674 1 361 . 1 1 37 37 GLU HB3 H 1 2.32 0.02 . 1 . . . . . . . . 4674 1 362 . 1 1 37 37 GLU HG2 H 1 2.47 0.02 . 1 . . . . . . . . 4674 1 363 . 1 1 37 37 GLU HG3 H 1 2.47 0.02 . 1 . . . . . . . . 4674 1 364 . 1 1 38 38 GLN N N 15 117.00 0.1 . . . . . . . . . . 4674 1 365 . 1 1 38 38 GLN H H 1 7.57 0.02 . . . . . . . . . . 4674 1 366 . 1 1 38 38 GLN CA C 13 58.91 0.1 . . . . . . . . . . 4674 1 367 . 1 1 38 38 GLN HA H 1 4.16 0.02 . . . . . . . . . . 4674 1 368 . 1 1 38 38 GLN CB C 13 28.52 0.1 . . . . . . . . . . 4674 1 369 . 1 1 38 38 GLN CG C 13 33.88 0.1 . . . . . . . . . . 4674 1 370 . 1 1 38 38 GLN HG3 H 1 2.56 0.02 . . . . . . . . . . 4674 1 371 . 1 1 38 38 GLN HB3 H 1 2.28 0.02 . . . . . . . . . . 4674 1 372 . 1 1 38 38 GLN HB2 H 1 2.36 0.02 . . . . . . . . . . 4674 1 373 . 1 1 38 38 GLN HG2 H 1 2.63 0.02 . . . . . . . . . . 4674 1 374 . 1 1 39 39 ILE N N 15 121.27 0.1 . . . . . . . . . . 4674 1 375 . 1 1 39 39 ILE H H 1 8.04 0.02 . . . . . . . . . . 4674 1 376 . 1 1 39 39 ILE CA C 13 62.87 0.1 . . . . . . . . . . 4674 1 377 . 1 1 39 39 ILE HA H 1 3.80 0.02 . . . . . . . . . . 4674 1 378 . 1 1 39 39 ILE CB C 13 36.15 0.1 . . . . . . . . . . 4674 1 379 . 1 1 39 39 ILE CG2 C 13 17.46 0.1 . . . . . . . . . . 4674 1 380 . 1 1 39 39 ILE CG1 C 13 27.44 0.1 . . . . . . . . . . 4674 1 381 . 1 1 39 39 ILE HG12 H 1 1.12 0.02 . 1 . . . . . . . . 4674 1 382 . 1 1 39 39 ILE HG13 H 1 1.12 0.02 . 1 . . . . . . . . 4674 1 383 . 1 1 39 39 ILE HD11 H 1 0.54 0.02 . 3 . . . . . . . . 4674 1 384 . 1 1 39 39 ILE HD12 H 1 0.54 0.02 . 3 . . . . . . . . 4674 1 385 . 1 1 39 39 ILE HD13 H 1 0.54 0.02 . 3 . . . . . . . . 4674 1 386 . 1 1 39 39 ILE CD1 C 13 11.01 0.1 . . . . . . . . . . 4674 1 387 . 1 1 39 39 ILE HB H 1 2.08 0.02 . . . . . . . . . . 4674 1 388 . 1 1 39 39 ILE HG21 H 1 0.89 0.02 . 3 . . . . . . . . 4674 1 389 . 1 1 39 39 ILE HG22 H 1 0.89 0.02 . 3 . . . . . . . . 4674 1 390 . 1 1 39 39 ILE HG23 H 1 0.89 0.02 . 3 . . . . . . . . 4674 1 391 . 1 1 40 40 GLU N N 15 120.35 0.1 . . . . . . . . . . 4674 1 392 . 1 1 40 40 GLU H H 1 9.00 0.02 . . . . . . . . . . 4674 1 393 . 1 1 40 40 GLU CA C 13 60.79 0.1 . . . . . . . . . . 4674 1 394 . 1 1 40 40 GLU HA H 1 3.85 0.02 . . . . . . . . . . 4674 1 395 . 1 1 40 40 GLU CB C 13 29.97 0.1 . . . . . . . . . . 4674 1 396 . 1 1 40 40 GLU HB3 H 1 1.93 0.02 . . . . . . . . . . 4674 1 397 . 1 1 40 40 GLU HB2 H 1 2.49 0.02 . . . . . . . . . . 4674 1 398 . 1 1 40 40 GLU CG C 13 37.93 0.1 . . . . . . . . . . 4674 1 399 . 1 1 40 40 GLU HG3 H 1 2.21 0.02 . . . . . . . . . . 4674 1 400 . 1 1 40 40 GLU HG2 H 1 2.76 0.02 . . . . . . . . . . 4674 1 401 . 1 1 41 41 LEU N N 15 118.40 0.1 . . . . . . . . . . 4674 1 402 . 1 1 41 41 LEU H H 1 8.01 0.02 . . . . . . . . . . 4674 1 403 . 1 1 41 41 LEU CA C 13 57.66 0.1 . . . . . . . . . . 4674 1 404 . 1 1 41 41 LEU HA H 1 4.16 0.02 . . . . . . . . . . 4674 1 405 . 1 1 41 41 LEU CB C 13 41.42 0.1 . . . . . . . . . . 4674 1 406 . 1 1 41 41 LEU CG C 13 26.97 0.1 . . . . . . . . . . 4674 1 407 . 1 1 41 41 LEU HG H 1 1.99 0.02 . . . . . . . . . . 4674 1 408 . 1 1 41 41 LEU HD11 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 409 . 1 1 41 41 LEU HD12 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 410 . 1 1 41 41 LEU HD13 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 411 . 1 1 41 41 LEU HD21 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 412 . 1 1 41 41 LEU HD22 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 413 . 1 1 41 41 LEU HD23 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 414 . 1 1 41 41 LEU CD1 C 13 23.56 0.1 . 1 . . . . . . . . 4674 1 415 . 1 1 41 41 LEU CD2 C 13 23.56 0.1 . 1 . . . . . . . . 4674 1 416 . 1 1 41 41 LEU HB2 H 1 1.96 0.02 . . . . . . . . . . 4674 1 417 . 1 1 41 41 LEU HB3 H 1 1.74 0.02 . . . . . . . . . . 4674 1 418 . 1 1 42 42 GLN N N 15 119.28 0.1 . . . . . . . . . . 4674 1 419 . 1 1 42 42 GLN H H 1 7.80 0.02 . . . . . . . . . . 4674 1 420 . 1 1 42 42 GLN CA C 13 59.01 0.1 . . . . . . . . . . 4674 1 421 . 1 1 42 42 GLN HA H 1 4.19 0.02 . . . . . . . . . . 4674 1 422 . 1 1 42 42 GLN CB C 13 28.35 0.1 . . . . . . . . . . 4674 1 423 . 1 1 42 42 GLN CG C 13 33.96 0.1 . . . . . . . . . . 4674 1 424 . 1 1 42 42 GLN HG2 H 1 2.57 0.02 . . . . . . . . . . 4674 1 425 . 1 1 42 42 GLN HB2 H 1 2.31 0.02 . 1 . . . . . . . . 4674 1 426 . 1 1 42 42 GLN HB3 H 1 2.31 0.02 . 1 . . . . . . . . 4674 1 427 . 1 1 42 42 GLN HG3 H 1 2.46 0.02 . . . . . . . . . . 4674 1 428 . 1 1 43 43 LEU N N 15 120.78 0.1 . . . . . . . . . . 4674 1 429 . 1 1 43 43 LEU H H 1 8.60 0.02 . . . . . . . . . . 4674 1 430 . 1 1 43 43 LEU CA C 13 58.14 0.1 . . . . . . . . . . 4674 1 431 . 1 1 43 43 LEU HA H 1 4.10 0.02 . . . . . . . . . . 4674 1 432 . 1 1 43 43 LEU CB C 13 41.81 0.1 . . . . . . . . . . 4674 1 433 . 1 1 43 43 LEU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 4674 1 434 . 1 1 43 43 LEU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 4674 1 435 . 1 1 43 43 LEU CG C 13 26.48 0.1 . . . . . . . . . . 4674 1 436 . 1 1 43 43 LEU HD11 H 1 0.89 0.02 . 3 . . . . . . . . 4674 1 437 . 1 1 43 43 LEU HD12 H 1 0.89 0.02 . 3 . . . . . . . . 4674 1 438 . 1 1 43 43 LEU HD13 H 1 0.89 0.02 . 3 . . . . . . . . 4674 1 439 . 1 1 43 43 LEU HD21 H 1 0.89 0.02 . 3 . . . . . . . . 4674 1 440 . 1 1 43 43 LEU HD22 H 1 0.89 0.02 . 3 . . . . . . . . 4674 1 441 . 1 1 43 43 LEU HD23 H 1 0.89 0.02 . 3 . . . . . . . . 4674 1 442 . 1 1 43 43 LEU HG H 1 2.03 0.02 . 1 . . . . . . . . 4674 1 443 . 1 1 43 43 LEU CD1 C 13 22.81 0.1 . 1 . . . . . . . . 4674 1 444 . 1 1 43 43 LEU CD2 C 13 22.81 0.1 . 1 . . . . . . . . 4674 1 445 . 1 1 44 44 ILE N N 15 119.28 0.1 . . . . . . . . . . 4674 1 446 . 1 1 44 44 ILE H H 1 8.44 0.02 . . . . . . . . . . 4674 1 447 . 1 1 44 44 ILE CA C 13 65.49 0.1 . . . . . . . . . . 4674 1 448 . 1 1 44 44 ILE HA H 1 3.71 0.02 . . . . . . . . . . 4674 1 449 . 1 1 44 44 ILE CB C 13 37.80 0.1 . . . . . . . . . . 4674 1 450 . 1 1 44 44 ILE CG2 C 13 17.14 0.1 . . . . . . . . . . 4674 1 451 . 1 1 44 44 ILE CG1 C 13 29.41 0.1 . . . . . . . . . . 4674 1 452 . 1 1 44 44 ILE HD11 H 1 0.93 0.02 . 3 . . . . . . . . 4674 1 453 . 1 1 44 44 ILE HD12 H 1 0.93 0.02 . 3 . . . . . . . . 4674 1 454 . 1 1 44 44 ILE HD13 H 1 0.93 0.02 . 3 . . . . . . . . 4674 1 455 . 1 1 44 44 ILE HB H 1 2.09 0.02 . 1 . . . . . . . . 4674 1 456 . 1 1 44 44 ILE CD1 C 13 13.37 0.1 . . . . . . . . . . 4674 1 457 . 1 1 44 44 ILE HG21 H 1 1.02 0.02 . 3 . . . . . . . . 4674 1 458 . 1 1 44 44 ILE HG22 H 1 1.02 0.02 . 3 . . . . . . . . 4674 1 459 . 1 1 44 44 ILE HG23 H 1 1.02 0.02 . 3 . . . . . . . . 4674 1 460 . 1 1 45 45 GLN N N 15 119.78 0.1 . . . . . . . . . . 4674 1 461 . 1 1 45 45 GLN H H 1 7.88 0.02 . . . . . . . . . . 4674 1 462 . 1 1 45 45 GLN CA C 13 59.28 0.1 . . . . . . . . . . 4674 1 463 . 1 1 45 45 GLN HA H 1 4.19 0.02 . . . . . . . . . . 4674 1 464 . 1 1 45 45 GLN CB C 13 28.35 0.1 . . . . . . . . . . 4674 1 465 . 1 1 45 45 GLN CG C 13 34.21 0.1 . . . . . . . . . . 4674 1 466 . 1 1 45 45 GLN HG2 H 1 2.66 0.02 . . . . . . . . . . 4674 1 467 . 1 1 45 45 GLN HB2 H 1 2.32 0.02 . . . . . . . . . . 4674 1 468 . 1 1 45 45 GLN HG3 H 1 2.49 0.02 . . . . . . . . . . 4674 1 469 . 1 1 45 45 GLN HB3 H 1 2.27 0.02 . . . . . . . . . . 4674 1 470 . 1 1 46 46 LEU N N 15 120.13 0.1 . . . . . . . . . . 4674 1 471 . 1 1 46 46 LEU H H 1 8.20 0.02 . . . . . . . . . . 4674 1 472 . 1 1 46 46 LEU CA C 13 58.15 0.1 . . . . . . . . . . 4674 1 473 . 1 1 46 46 LEU HA H 1 4.13 0.02 . . . . . . . . . . 4674 1 474 . 1 1 46 46 LEU CB C 13 42.39 0.1 . . . . . . . . . . 4674 1 475 . 1 1 46 46 LEU CG C 13 26.73 0.1 . . . . . . . . . . 4674 1 476 . 1 1 46 46 LEU CD1 C 13 24.92 0.1 . 1 . . . . . . . . 4674 1 477 . 1 1 46 46 LEU CD2 C 13 24.92 0.1 . 1 . . . . . . . . 4674 1 478 . 1 1 46 46 LEU HD11 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 479 . 1 1 46 46 LEU HD12 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 480 . 1 1 46 46 LEU HD13 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 481 . 1 1 46 46 LEU HD21 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 482 . 1 1 46 46 LEU HD22 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 483 . 1 1 46 46 LEU HD23 H 1 1.01 0.02 . 3 . . . . . . . . 4674 1 484 . 1 1 46 46 LEU HB2 H 1 2.06 0.02 . 1 . . . . . . . . 4674 1 485 . 1 1 46 46 LEU HB3 H 1 2.06 0.02 . 1 . . . . . . . . 4674 1 486 . 1 1 47 47 ALA N N 15 122.20 0.1 . . . . . . . . . . 4674 1 487 . 1 1 47 47 ALA H H 1 8.38 0.02 . . . . . . . . . . 4674 1 488 . 1 1 47 47 ALA CA C 13 54.56 0.1 . . . . . . . . . . 4674 1 489 . 1 1 47 47 ALA HA H 1 4.33 0.02 . . . . . . . . . . 4674 1 490 . 1 1 47 47 ALA CB C 13 18.14 0.1 . . . . . . . . . . 4674 1 491 . 1 1 47 47 ALA HB1 H 1 1.64 0.02 . 3 . . . . . . . . 4674 1 492 . 1 1 47 47 ALA HB2 H 1 1.64 0.02 . 3 . . . . . . . . 4674 1 493 . 1 1 47 47 ALA HB3 H 1 1.64 0.02 . 3 . . . . . . . . 4674 1 494 . 1 1 48 48 GLN N N 15 119.64 0.1 . . . . . . . . . . 4674 1 495 . 1 1 48 48 GLN H H 1 8.66 0.02 . . . . . . . . . . 4674 1 496 . 1 1 48 48 GLN CA C 13 58.47 0.1 . . . . . . . . . . 4674 1 497 . 1 1 48 48 GLN HA H 1 4.24 0.02 . . . . . . . . . . 4674 1 498 . 1 1 48 48 GLN CB C 13 28.55 0.1 . . . . . . . . . . 4674 1 499 . 1 1 48 48 GLN HB2 H 1 2.38 0.02 . 1 . . . . . . . . 4674 1 500 . 1 1 48 48 GLN HB3 H 1 2.38 0.02 . 1 . . . . . . . . 4674 1 501 . 1 1 48 48 GLN CG C 13 34.21 0.1 . . . . . . . . . . 4674 1 502 . 1 1 48 48 GLN HG2 H 1 2.71 0.02 . . . . . . . . . . 4674 1 503 . 1 1 48 48 GLN HG3 H 1 2.55 0.02 . . . . . . . . . . 4674 1 504 . 1 1 49 49 MET N N 15 116.29 0.1 . . . . . . . . . . 4674 1 505 . 1 1 49 49 MET H H 1 7.93 0.02 . . . . . . . . . . 4674 1 506 . 1 1 49 49 MET CA C 13 55.95 0.1 . . . . . . . . . . 4674 1 507 . 1 1 49 49 MET HA H 1 4.61 0.02 . . . . . . . . . . 4674 1 508 . 1 1 49 49 MET CB C 13 33.35 0.1 . . . . . . . . . . 4674 1 509 . 1 1 49 49 MET CG C 13 32.26 0.1 . . . . . . . . . . 4674 1 510 . 1 1 49 49 MET HG2 H 1 2.93 0.02 . . . . . . . . . . 4674 1 511 . 1 1 49 49 MET HG3 H 1 2.79 0.02 . . . . . . . . . . 4674 1 512 . 1 1 49 49 MET HB2 H 1 2.39 0.02 . . . . . . . . . . 4674 1 513 . 1 1 49 49 MET HB3 H 1 2.23 0.02 . . . . . . . . . . 4674 1 514 . 1 1 50 50 GLY N N 15 126.26 0.1 . . . . . . . . . . 4674 1 515 . 1 1 50 50 GLY H H 1 7.97 0.02 . . . . . . . . . . 4674 1 516 . 1 1 50 50 GLY CA C 13 46.28 0.1 . . . . . . . . . . 4674 1 517 . 1 1 50 50 GLY HA3 H 1 4.17 0.02 . . . . . . . . . . 4674 1 518 . 1 1 50 50 GLY HA2 H 1 4.25 0.02 . . . . . . . . . . 4674 1 519 . 1 1 51 51 ARG N N 15 117.15 0.1 . . . . . . . . . . 4674 1 520 . 1 1 51 51 ARG H H 1 8.05 0.02 . . . . . . . . . . 4674 1 521 . 1 1 51 51 ARG CA C 13 55.98 0.1 . . . . . . . . . . 4674 1 522 . 1 1 51 51 ARG HA H 1 4.49 0.02 . . . . . . . . . . 4674 1 523 . 1 1 51 51 ARG CB C 13 30.82 0.1 . . . . . . . . . . 4674 1 524 . 1 1 51 51 ARG HB2 H 1 1.84 0.02 . 1 . . . . . . . . 4674 1 525 . 1 1 51 51 ARG HG2 H 1 2.24 0.02 . 1 . . . . . . . . 4674 1 526 . 1 1 51 51 ARG HB3 H 1 1.84 0.02 . 1 . . . . . . . . 4674 1 527 . 1 1 51 51 ARG HG3 H 1 2.24 0.02 . 1 . . . . . . . . 4674 1 528 . 1 1 53 53 ARG CA C 13 56.64 0.1 . . . . . . . . . . 4674 1 529 . 1 1 53 53 ARG CB C 13 30.63 0.1 . . . . . . . . . . 4674 1 530 . 1 1 53 53 ARG CG C 13 27.05 0.1 . . . . . . . . . . 4674 1 531 . 1 1 53 53 ARG CD C 13 43.07 0.1 . . . . . . . . . . 4674 1 532 . 1 1 54 54 SER N N 15 114.36 0.1 . . . . . . . . . . 4674 1 533 . 1 1 54 54 SER H H 1 7.87 0.02 . . . . . . . . . . 4674 1 534 . 1 1 54 54 SER CA C 13 57.17 0.1 . . . . . . . . . . 4674 1 535 . 1 1 54 54 SER HA H 1 4.70 0.02 . . . . . . . . . . 4674 1 536 . 1 1 54 54 SER CB C 13 64.43 0.1 . . . . . . . . . . 4674 1 537 . 1 1 54 54 SER HB2 H 1 3.99 0.02 . 1 . . . . . . . . 4674 1 538 . 1 1 54 54 SER HB3 H 1 3.99 0.02 . 1 . . . . . . . . 4674 1 539 . 1 1 55 55 LYS N N 15 120.91 0.1 . . . . . . . . . . 4674 1 540 . 1 1 55 55 LYS H H 1 8.29 0.02 . . . . . . . . . . 4674 1 541 . 1 1 55 55 LYS CA C 13 57.38 0.1 . . . . . . . . . . 4674 1 542 . 1 1 55 55 LYS HA H 1 4.29 0.02 . . . . . . . . . . 4674 1 543 . 1 1 55 55 LYS CB C 13 34.17 0.1 . . . . . . . . . . 4674 1 544 . 1 1 55 55 LYS CG C 13 25.66 0.1 . . . . . . . . . . 4674 1 545 . 1 1 55 55 LYS HG3 H 1 1.47 0.02 . . . . . . . . . . 4674 1 546 . 1 1 55 55 LYS HG2 H 1 1.63 0.02 . . . . . . . . . . 4674 1 547 . 1 1 55 55 LYS CD C 13 29.33 0.1 . . . . . . . . . . 4674 1 548 . 1 1 55 55 LYS HD3 H 1 1.59 0.02 . . . . . . . . . . 4674 1 549 . 1 1 55 55 LYS HD2 H 1 1.68 0.02 . . . . . . . . . . 4674 1 550 . 1 1 55 55 LYS CE C 13 42.34 0.1 . . . . . . . . . . 4674 1 551 . 1 1 55 55 LYS HE2 H 1 3.14 0.02 . 1 . . . . . . . . 4674 1 552 . 1 1 55 55 LYS HE3 H 1 3.14 0.02 . 1 . . . . . . . . 4674 1 553 . 1 1 55 55 LYS HB3 H 1 1.63 0.02 . . . . . . . . . . 4674 1 554 . 1 1 55 55 LYS HB2 H 1 1.73 0.02 . . . . . . . . . . 4674 1 555 . 1 1 56 56 ILE N N 15 124.69 0.1 . . . . . . . . . . 4674 1 556 . 1 1 56 56 ILE H H 1 9.14 0.02 . . . . . . . . . . 4674 1 557 . 1 1 56 56 ILE CA C 13 61.35 0.1 . . . . . . . . . . 4674 1 558 . 1 1 56 56 ILE HA H 1 4.40 0.02 . . . . . . . . . . 4674 1 559 . 1 1 56 56 ILE CB C 13 37.92 0.1 . . . . . . . . . . 4674 1 560 . 1 1 56 56 ILE HG21 H 1 1.05 0.02 . 3 . . . . . . . . 4674 1 561 . 1 1 56 56 ILE HG22 H 1 1.05 0.02 . 3 . . . . . . . . 4674 1 562 . 1 1 56 56 ILE HG23 H 1 1.05 0.02 . 3 . . . . . . . . 4674 1 563 . 1 1 56 56 ILE CG2 C 13 17.24 0.1 . . . . . . . . . . 4674 1 564 . 1 1 56 56 ILE CG1 C 13 27.95 0.1 . . . . . . . . . . 4674 1 565 . 1 1 56 56 ILE HD11 H 1 0.99 0.02 . 3 . . . . . . . . 4674 1 566 . 1 1 56 56 ILE HD12 H 1 0.99 0.02 . 3 . . . . . . . . 4674 1 567 . 1 1 56 56 ILE HD13 H 1 0.99 0.02 . 3 . . . . . . . . 4674 1 568 . 1 1 56 56 ILE CD1 C 13 12.56 0.1 . . . . . . . . . . 4674 1 569 . 1 1 56 56 ILE HB H 1 2.15 0.02 . 1 . . . . . . . . 4674 1 570 . 1 1 57 57 THR N N 15 119.21 0.1 . . . . . . . . . . 4674 1 571 . 1 1 57 57 THR H H 1 8.23 0.02 . . . . . . . . . . 4674 1 572 . 1 1 57 57 THR CA C 13 60.42 0.1 . . . . . . . . . . 4674 1 573 . 1 1 57 57 THR HA H 1 4.78 0.02 . . . . . . . . . . 4674 1 574 . 1 1 57 57 THR CB C 13 71.44 0.1 . . . . . . . . . . 4674 1 575 . 1 1 57 57 THR HB H 1 5.03 0.02 . 1 . . . . . . . . 4674 1 576 . 1 1 57 57 THR CG2 C 13 21.77 0.1 . . . . . . . . . . 4674 1 577 . 1 1 57 57 THR HG21 H 1 1.51 0.02 . 3 . . . . . . . . 4674 1 578 . 1 1 57 57 THR HG22 H 1 1.51 0.02 . 3 . . . . . . . . 4674 1 579 . 1 1 57 57 THR HG23 H 1 1.51 0.02 . 3 . . . . . . . . 4674 1 580 . 1 1 58 58 ASP N N 15 120.81 0.1 . . . . . . . . . . 4674 1 581 . 1 1 58 58 ASP H H 1 8.94 0.02 . . . . . . . . . . 4674 1 582 . 1 1 58 58 ASP CA C 13 58.15 0.1 . . . . . . . . . . 4674 1 583 . 1 1 58 58 ASP HA H 1 4.56 0.02 . . . . . . . . . . 4674 1 584 . 1 1 58 58 ASP CB C 13 41.93 0.1 . . . . . . . . . . 4674 1 585 . 1 1 58 58 ASP HB3 H 1 2.62 0.02 . . . . . . . . . . 4674 1 586 . 1 1 58 58 ASP HB2 H 1 2.75 0.02 . . . . . . . . . . 4674 1 587 . 1 1 59 59 GLU N N 15 117.15 0.1 . . . . . . . . . . 4674 1 588 . 1 1 59 59 GLU H H 1 8.61 0.02 . . . . . . . . . . 4674 1 589 . 1 1 59 59 GLU CA C 13 59.98 0.1 . . . . . . . . . . 4674 1 590 . 1 1 59 59 GLU HA H 1 4.04 0.02 . . . . . . . . . . 4674 1 591 . 1 1 59 59 GLU CB C 13 29.33 0.1 . . . . . . . . . . 4674 1 592 . 1 1 59 59 GLU HB2 H 1 2.21 0.02 . . . . . . . . . . 4674 1 593 . 1 1 59 59 GLU HB3 H 1 2.13 0.02 . . . . . . . . . . 4674 1 594 . 1 1 59 59 GLU CG C 13 36.48 0.1 . . . . . . . . . . 4674 1 595 . 1 1 59 59 GLU HG2 H 1 2.48 0.02 . 1 . . . . . . . . 4674 1 596 . 1 1 59 59 GLU HG3 H 1 2.48 0.02 . 1 . . . . . . . . 4674 1 597 . 1 1 60 60 GLN N N 15 119.49 0.1 . . . . . . . . . . 4674 1 598 . 1 1 60 60 GLN H H 1 7.74 0.02 . . . . . . . . . . 4674 1 599 . 1 1 60 60 GLN CA C 13 58.54 0.1 . . . . . . . . . . 4674 1 600 . 1 1 60 60 GLN HA H 1 4.18 0.02 . . . . . . . . . . 4674 1 601 . 1 1 60 60 GLN CB C 13 29.13 0.1 . . . . . . . . . . 4674 1 602 . 1 1 60 60 GLN HB2 H 1 2.55 0.02 . . . . . . . . . . 4674 1 603 . 1 1 60 60 GLN CG C 13 34.72 0.1 . . . . . . . . . . 4674 1 604 . 1 1 60 60 GLN HB3 H 1 2.08 0.02 . . . . . . . . . . 4674 1 605 . 1 1 60 60 GLN HE21 H 1 6.83 0.02 . 1 . . . . . . . . 4674 1 606 . 1 1 60 60 GLN HE22 H 1 6.83 0.02 . 1 . . . . . . . . 4674 1 607 . 1 1 60 60 GLN HG2 H 1 2.60 0.02 . 1 . . . . . . . . 4674 1 608 . 1 1 60 60 GLN HG3 H 1 2.60 0.02 . 1 . . . . . . . . 4674 1 609 . 1 1 61 61 LEU N N 15 123.27 0.1 . . . . . . . . . . 4674 1 610 . 1 1 61 61 LEU H H 1 8.96 0.02 . . . . . . . . . . 4674 1 611 . 1 1 61 61 LEU CA C 13 57.78 0.1 . . . . . . . . . . 4674 1 612 . 1 1 61 61 LEU CB C 13 41.36 0.1 . . . . . . . . . . 4674 1 613 . 1 1 61 61 LEU HA H 1 4.15 0.02 . . . . . . . . . . 4674 1 614 . 1 1 61 61 LEU HG H 1 1.57 0.02 . . . . . . . . . . 4674 1 615 . 1 1 61 61 LEU CD2 C 13 27.79 0.1 . . . . . . . . . . 4674 1 616 . 1 1 61 61 LEU HB2 H 1 2.36 0.02 . 1 . . . . . . . . 4674 1 617 . 1 1 61 61 LEU HB3 H 1 2.36 0.02 . 1 . . . . . . . . 4674 1 618 . 1 1 61 61 LEU HD11 H 1 1.07 0.02 . 3 . . . . . . . . 4674 1 619 . 1 1 61 61 LEU HD12 H 1 1.07 0.02 . 3 . . . . . . . . 4674 1 620 . 1 1 61 61 LEU HD13 H 1 1.07 0.02 . 3 . . . . . . . . 4674 1 621 . 1 1 61 61 LEU HD21 H 1 1.19 0.02 . 3 . . . . . . . . 4674 1 622 . 1 1 61 61 LEU HD22 H 1 1.19 0.02 . 3 . . . . . . . . 4674 1 623 . 1 1 61 61 LEU HD23 H 1 1.19 0.02 . 3 . . . . . . . . 4674 1 624 . 1 1 61 61 LEU CD1 C 13 23.23 0.1 . . . . . . . . . . 4674 1 625 . 1 1 62 62 LYS N N 15 119.07 0.1 . . . . . . . . . . 4674 1 626 . 1 1 62 62 LYS H H 1 8.75 0.02 . . . . . . . . . . 4674 1 627 . 1 1 62 62 LYS CA C 13 60.79 0.1 . . . . . . . . . . 4674 1 628 . 1 1 62 62 LYS HA H 1 3.94 0.02 . . . . . . . . . . 4674 1 629 . 1 1 62 62 LYS CB C 13 32.45 0.1 . . . . . . . . . . 4674 1 630 . 1 1 62 62 LYS CG C 13 25.66 0.1 . . . . . . . . . . 4674 1 631 . 1 1 62 62 LYS HG3 H 1 1.46 0.02 . . . . . . . . . . 4674 1 632 . 1 1 62 62 LYS HG2 H 1 1.79 0.02 . . . . . . . . . . 4674 1 633 . 1 1 62 62 LYS CD C 13 29.74 0.1 . . . . . . . . . . 4674 1 634 . 1 1 62 62 LYS HD2 H 1 1.79 0.02 . 1 . . . . . . . . 4674 1 635 . 1 1 62 62 LYS HD3 H 1 1.79 0.02 . 1 . . . . . . . . 4674 1 636 . 1 1 62 62 LYS CE C 13 41.69 0.1 . . . . . . . . . . 4674 1 637 . 1 1 62 62 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 4674 1 638 . 1 1 62 62 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 4674 1 639 . 1 1 62 62 LYS HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4674 1 640 . 1 1 62 62 LYS HB3 H 1 1.99 0.02 . 1 . . . . . . . . 4674 1 641 . 1 1 63 63 GLU N N 15 118.64 0.1 . . . . . . . . . . 4674 1 642 . 1 1 63 63 GLU H H 1 7.52 0.02 . . . . . . . . . . 4674 1 643 . 1 1 63 63 GLU CA C 13 59.18 0.1 . . . . . . . . . . 4674 1 644 . 1 1 63 63 GLU HA H 1 4.23 0.02 . . . . . . . . . . 4674 1 645 . 1 1 63 63 GLU CB C 13 29.36 0.1 . . . . . . . . . . 4674 1 646 . 1 1 63 63 GLU HB2 H 1 2.27 0.02 . 1 . . . . . . . . 4674 1 647 . 1 1 63 63 GLU HB3 H 1 2.27 0.02 . 1 . . . . . . . . 4674 1 648 . 1 1 63 63 GLU CG C 13 35.75 0.1 . . . . . . . . . . 4674 1 649 . 1 1 63 63 GLU HG2 H 1 2.54 0.02 . 1 . . . . . . . . 4674 1 650 . 1 1 63 63 GLU HG3 H 1 2.54 0.02 . 1 . . . . . . . . 4674 1 651 . 1 1 64 64 LEU N N 15 122.41 0.1 . . . . . . . . . . 4674 1 652 . 1 1 64 64 LEU H H 1 7.93 0.02 . . . . . . . . . . 4674 1 653 . 1 1 64 64 LEU CA C 13 58.38 0.1 . . . . . . . . . . 4674 1 654 . 1 1 64 64 LEU HA H 1 4.20 0.02 . . . . . . . . . . 4674 1 655 . 1 1 64 64 LEU CB C 13 41.85 0.1 . . . . . . . . . . 4674 1 656 . 1 1 64 64 LEU HB2 H 1 1.96 0.02 . 1 . . . . . . . . 4674 1 657 . 1 1 64 64 LEU HB3 H 1 1.96 0.02 . 1 . . . . . . . . 4674 1 658 . 1 1 64 64 LEU CG C 13 27.14 0.1 . . . . . . . . . . 4674 1 659 . 1 1 64 64 LEU HG H 1 1.86 0.02 . . . . . . . . . . 4674 1 660 . 1 1 64 64 LEU HD11 H 1 1.06 0.02 . 3 . . . . . . . . 4674 1 661 . 1 1 64 64 LEU HD12 H 1 1.06 0.02 . 3 . . . . . . . . 4674 1 662 . 1 1 64 64 LEU HD13 H 1 1.06 0.02 . 3 . . . . . . . . 4674 1 663 . 1 1 64 64 LEU HD21 H 1 1.06 0.02 . 3 . . . . . . . . 4674 1 664 . 1 1 64 64 LEU HD22 H 1 1.06 0.02 . 3 . . . . . . . . 4674 1 665 . 1 1 64 64 LEU HD23 H 1 1.06 0.02 . 3 . . . . . . . . 4674 1 666 . 1 1 64 64 LEU CD1 C 13 24.70 0.1 . 1 . . . . . . . . 4674 1 667 . 1 1 64 64 LEU CD2 C 13 24.70 0.1 . 1 . . . . . . . . 4674 1 668 . 1 1 65 65 LEU N N 15 118.50 0.1 . . . . . . . . . . 4674 1 669 . 1 1 65 65 LEU H H 1 8.71 0.02 . . . . . . . . . . 4674 1 670 . 1 1 65 65 LEU CA C 13 58.14 0.1 . . . . . . . . . . 4674 1 671 . 1 1 65 65 LEU HA H 1 4.08 0.02 . . . . . . . . . . 4674 1 672 . 1 1 65 65 LEU CB C 13 41.40 0.1 . . . . . . . . . . 4674 1 673 . 1 1 65 65 LEU HB3 H 1 1.76 0.02 . . . . . . . . . . 4674 1 674 . 1 1 65 65 LEU HB2 H 1 2.07 0.02 . . . . . . . . . . 4674 1 675 . 1 1 65 65 LEU CG C 13 26.97 0.1 . . . . . . . . . . 4674 1 676 . 1 1 65 65 LEU HG H 1 2.02 0.02 . . . . . . . . . . 4674 1 677 . 1 1 65 65 LEU HD11 H 1 0.94 0.02 . 3 . . . . . . . . 4674 1 678 . 1 1 65 65 LEU HD12 H 1 0.94 0.02 . 3 . . . . . . . . 4674 1 679 . 1 1 65 65 LEU HD13 H 1 0.94 0.02 . 3 . . . . . . . . 4674 1 680 . 1 1 65 65 LEU HD21 H 1 0.99 0.02 . 3 . . . . . . . . 4674 1 681 . 1 1 65 65 LEU HD22 H 1 0.99 0.02 . 3 . . . . . . . . 4674 1 682 . 1 1 65 65 LEU HD23 H 1 0.99 0.02 . 3 . . . . . . . . 4674 1 683 . 1 1 65 65 LEU CD1 C 13 23.49 0.1 . . . . . . . . . . 4674 1 684 . 1 1 65 65 LEU CD2 C 13 25.62 0.1 . . . . . . . . . . 4674 1 685 . 1 1 66 66 LYS N N 15 118.57 0.1 . . . . . . . . . . 4674 1 686 . 1 1 66 66 LYS H H 1 7.70 0.02 . . . . . . . . . . 4674 1 687 . 1 1 66 66 LYS CA C 13 58.99 0.1 . . . . . . . . . . 4674 1 688 . 1 1 66 66 LYS HA H 1 4.20 0.02 . . . . . . . . . . 4674 1 689 . 1 1 66 66 LYS CB C 13 32.65 0.1 . . . . . . . . . . 4674 1 690 . 1 1 66 66 LYS CG C 13 25.20 0.1 . . . . . . . . . . 4674 1 691 . 1 1 66 66 LYS CD C 13 29.33 0.1 . . . . . . . . . . 4674 1 692 . 1 1 66 66 LYS HD2 H 1 1.85 0.02 . 1 . . . . . . . . 4674 1 693 . 1 1 66 66 LYS HD3 H 1 1.85 0.02 . 1 . . . . . . . . 4674 1 694 . 1 1 66 66 LYS CE C 13 41.93 0.1 . . . . . . . . . . 4674 1 695 . 1 1 66 66 LYS HE2 H 1 3.11 0.02 . 1 . . . . . . . . 4674 1 696 . 1 1 66 66 LYS HE3 H 1 3.11 0.02 . 1 . . . . . . . . 4674 1 697 . 1 1 66 66 LYS HB2 H 1 2.05 0.02 . 1 . . . . . . . . 4674 1 698 . 1 1 66 66 LYS HB3 H 1 2.05 0.02 . 1 . . . . . . . . 4674 1 699 . 1 1 66 66 LYS HG2 H 1 1.75 0.02 . . . . . . . . . . 4674 1 700 . 1 1 66 66 LYS HG3 H 1 1.58 0.02 . . . . . . . . . . 4674 1 701 . 1 1 67 67 ARG N N 15 119.47 0.1 . . . . . . . . . . 4674 1 702 . 1 1 67 67 ARG H H 1 7.91 0.02 . . . . . . . . . . 4674 1 703 . 1 1 67 67 ARG CA C 13 58.38 0.1 . . . . . . . . . . 4674 1 704 . 1 1 67 67 ARG HA H 1 4.35 0.02 . . . . . . . . . . 4674 1 705 . 1 1 67 67 ARG CB C 13 30.54 0.1 . . . . . . . . . . 4674 1 706 . 1 1 67 67 ARG HB3 H 1 2.03 0.02 . . . . . . . . . . 4674 1 707 . 1 1 67 67 ARG HB2 H 1 2.15 0.02 . . . . . . . . . . 4674 1 708 . 1 1 67 67 ARG CG C 13 27.40 0.1 . . . . . . . . . . 4674 1 709 . 1 1 67 67 ARG HG2 H 1 1.98 0.02 . . . . . . . . . . 4674 1 710 . 1 1 67 67 ARG HG3 H 1 1.85 0.02 . . . . . . . . . . 4674 1 711 . 1 1 67 67 ARG CD C 13 43.58 0.1 . . . . . . . . . . 4674 1 712 . 1 1 67 67 ARG HD2 H 1 3.36 0.02 . 1 . . . . . . . . 4674 1 713 . 1 1 67 67 ARG HD3 H 1 3.36 0.02 . 1 . . . . . . . . 4674 1 714 . 1 1 68 68 VAL N N 15 118.52 0.1 . . . . . . . . . . 4674 1 715 . 1 1 68 68 VAL H H 1 8.15 0.02 . . . . . . . . . . 4674 1 716 . 1 1 68 68 VAL CA C 13 64.39 0.1 . . . . . . . . . . 4674 1 717 . 1 1 68 68 VAL HA H 1 4.09 0.02 . . . . . . . . . . 4674 1 718 . 1 1 68 68 VAL CB C 13 32.09 0.1 . . . . . . . . . . 4674 1 719 . 1 1 68 68 VAL HB H 1 2.24 0.02 . 1 . . . . . . . . 4674 1 720 . 1 1 68 68 VAL CG1 C 13 21.39 0.1 . 1 . . . . . . . . 4674 1 721 . 1 1 68 68 VAL CG2 C 13 21.39 0.1 . 1 . . . . . . . . 4674 1 722 . 1 1 68 68 VAL HG11 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 723 . 1 1 68 68 VAL HG12 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 724 . 1 1 68 68 VAL HG13 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 725 . 1 1 68 68 VAL HG21 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 726 . 1 1 68 68 VAL HG22 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 727 . 1 1 68 68 VAL HG23 H 1 1.04 0.02 . 3 . . . . . . . . 4674 1 728 . 1 1 69 69 ALA N N 15 123.68 0.1 . . . . . . . . . . 4674 1 729 . 1 1 69 69 ALA H H 1 8.14 0.02 . . . . . . . . . . 4674 1 730 . 1 1 69 69 ALA CA C 13 53.51 0.1 . . . . . . . . . . 4674 1 731 . 1 1 69 69 ALA HA H 1 4.34 0.02 . . . . . . . . . . 4674 1 732 . 1 1 69 69 ALA HB1 H 1 1.54 0.02 . 3 . . . . . . . . 4674 1 733 . 1 1 69 69 ALA HB2 H 1 1.54 0.02 . 3 . . . . . . . . 4674 1 734 . 1 1 69 69 ALA HB3 H 1 1.54 0.02 . 3 . . . . . . . . 4674 1 735 . 1 1 69 69 ALA CB C 13 19.03 0.1 . . . . . . . . . . 4674 1 736 . 1 1 70 70 GLY N N 15 124.60 0.1 . . . . . . . . . . 4674 1 737 . 1 1 70 70 GLY H H 1 8.00 0.02 . . . . . . . . . . 4674 1 738 . 1 1 70 70 GLY CA C 13 45.47 0.1 . . . . . . . . . . 4674 1 739 . 1 1 70 70 GLY HA3 H 1 4.04 0.02 . . . . . . . . . . 4674 1 740 . 1 1 70 70 GLY HA2 H 1 4.17 0.02 . . . . . . . . . . 4674 1 741 . 1 1 71 71 LYS N N 15 121.09 0.1 . . . . . . . . . . 4674 1 742 . 1 1 71 71 LYS H H 1 8.00 0.02 . . . . . . . . . . 4674 1 743 . 1 1 71 71 LYS CA C 13 56.48 0.1 . . . . . . . . . . 4674 1 744 . 1 1 71 71 LYS HA H 1 4.44 0.02 . . . . . . . . . . 4674 1 745 . 1 1 71 71 LYS CB C 13 32.82 0.1 . . . . . . . . . . 4674 1 746 . 1 1 71 71 LYS HB2 H 1 1.98 0.02 . 1 . . . . . . . . 4674 1 747 . 1 1 71 71 LYS HB3 H 1 1.98 0.02 . 1 . . . . . . . . 4674 1 748 . 1 1 71 71 LYS CG C 13 24.45 0.1 . . . . . . . . . . 4674 1 749 . 1 1 71 71 LYS HG2 H 1 1.57 0.02 . 1 . . . . . . . . 4674 1 750 . 1 1 71 71 LYS HG3 H 1 1.57 0.02 . 1 . . . . . . . . 4674 1 751 . 1 1 71 71 LYS CD C 13 28.92 0.1 . . . . . . . . . . 4674 1 752 . 1 1 71 71 LYS HD2 H 1 1.83 0.02 . 1 . . . . . . . . 4674 1 753 . 1 1 71 71 LYS HD3 H 1 1.83 0.02 . 1 . . . . . . . . 4674 1 754 . 1 1 71 71 LYS CE C 13 42.17 0.1 . . . . . . . . . . 4674 1 755 . 1 1 71 71 LYS HE2 H 1 3.14 0.02 . 1 . . . . . . . . 4674 1 756 . 1 1 71 71 LYS HE3 H 1 3.14 0.02 . 1 . . . . . . . . 4674 1 757 . 1 1 72 72 LYS N N 15 122.83 0.1 . . . . . . . . . . 4674 1 758 . 1 1 72 72 LYS H H 1 8.35 0.02 . . . . . . . . . . 4674 1 759 . 1 1 72 72 LYS CA C 13 56.45 0.1 . . . . . . . . . . 4674 1 760 . 1 1 72 72 LYS HA H 1 4.44 0.02 . . . . . . . . . . 4674 1 761 . 1 1 72 72 LYS CB C 13 32.87 0.1 . . . . . . . . . . 4674 1 stop_ save_