data_6746 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6746 _Entry.Title ; Assignment of phnA-like protein rp4479 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-25 _Entry.Accession_date 2005-07-25 _Entry.Last_release_date 2006-02-23 _Entry.Original_release_date 2006-02-23 _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 Bin Wu . . . 6746 2 Adelina Yee . . . 6746 3 Theresa Ramelot . . . 6746 4 Anthony Semesi . . . 6746 5 Alexander Lemak . . . 6746 6 Michael Kennedy . . . 6746 7 Cheryl Arrowsmith . H. . 6746 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6746 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 520 6746 '13C chemical shifts' 313 6746 '15N chemical shifts' 74 6746 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 . . 2006-02-23 2005-07-25 original author . 6746 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6746 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of phnA-like protein rp4479 from Rhodopseudomonas palustris' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Bin Wu . . . 6746 1 2 Adelina Yee . . . 6746 1 3 Theresa Ramelot . . . 6746 1 4 Anthony Semesi . . . 6746 1 5 Alexander Lemak . . . 6746 1 6 Michael Kennedy . . . 6746 1 7 Cheryl Arrowsmith . H. . 6746 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'phnA-like protein rp4479' 6746 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_rp4479 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_rp4479 _Assembly.Entry_ID 6746 _Assembly.ID 1 _Assembly.Name 'phnA-like protein rp4479' _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 6746 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 rp4479 1 $rp4479 . . . native . . . . . 6746 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'phnA-like protein rp4479' system 6746 1 rp4479 abbreviation 6746 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'phnA-like protein' 6746 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rp4479 _Entity.Sf_category entity _Entity.Sf_framecode rp4479 _Entity.Entry_ID 6746 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'phnA-like protein rp4479' _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 ; MSIEVRDCNGALLADGDNVS LIKDLKLKGSSTVLKRGTMI RGIRLTDSEDEIEGRTDKIK GLVLRTEFLKKAGS ; _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7933 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2AKK . "Solution Structure Of Phna-Like Protein Rp4479 From Rhodopseudomonas Palustris" . . . . . 100.00 74 100.00 100.00 9.76e-42 . . . . 6746 1 2 no EMBL CAE29941 . "phnA-like protein [Rhodopseudomonas palustris CGA009]" . . . . . 97.30 72 100.00 100.00 2.75e-40 . . . . 6746 1 3 no GB ACF03482 . "PhnA protein [Rhodopseudomonas palustris TIE-1]" . . . . . 97.30 72 100.00 100.00 2.75e-40 . . . . 6746 1 4 no GB ADU46252 . "PhnA protein [Rhodopseudomonas palustris DX-1]" . . . . . 97.30 72 100.00 100.00 2.75e-40 . . . . 6746 1 5 no REF NP_949835 . "PhnA protein [Rhodopseudomonas palustris CGA009]" . . . . . 97.30 72 100.00 100.00 2.75e-40 . . . . 6746 1 6 no REF WP_011160033 . "PhnA protein [Rhodopseudomonas palustris]" . . . . . 97.30 72 100.00 100.00 2.75e-40 . . . . 6746 1 7 no REF YP_001993957 . "PhnA protein [Rhodopseudomonas palustris TIE-1]" . . . . . 97.30 72 100.00 100.00 2.75e-40 . . . . 6746 1 8 no REF YP_004110985 . "PhnA protein [Rhodopseudomonas palustris DX-1]" . . . . . 97.30 72 100.00 100.00 2.75e-40 . . . . 6746 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'phnA-like protein rp4479' common 6746 1 rp4479 abbreviation 6746 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 . 6746 1 2 . SER . 6746 1 3 . ILE . 6746 1 4 . GLU . 6746 1 5 . VAL . 6746 1 6 . ARG . 6746 1 7 . ASP . 6746 1 8 . CYS . 6746 1 9 . ASN . 6746 1 10 . GLY . 6746 1 11 . ALA . 6746 1 12 . LEU . 6746 1 13 . LEU . 6746 1 14 . ALA . 6746 1 15 . ASP . 6746 1 16 . GLY . 6746 1 17 . ASP . 6746 1 18 . ASN . 6746 1 19 . VAL . 6746 1 20 . SER . 6746 1 21 . LEU . 6746 1 22 . ILE . 6746 1 23 . LYS . 6746 1 24 . ASP . 6746 1 25 . LEU . 6746 1 26 . LYS . 6746 1 27 . LEU . 6746 1 28 . LYS . 6746 1 29 . GLY . 6746 1 30 . SER . 6746 1 31 . SER . 6746 1 32 . THR . 6746 1 33 . VAL . 6746 1 34 . LEU . 6746 1 35 . LYS . 6746 1 36 . ARG . 6746 1 37 . GLY . 6746 1 38 . THR . 6746 1 39 . MET . 6746 1 40 . ILE . 6746 1 41 . ARG . 6746 1 42 . GLY . 6746 1 43 . ILE . 6746 1 44 . ARG . 6746 1 45 . LEU . 6746 1 46 . THR . 6746 1 47 . ASP . 6746 1 48 . SER . 6746 1 49 . GLU . 6746 1 50 . ASP . 6746 1 51 . GLU . 6746 1 52 . ILE . 6746 1 53 . GLU . 6746 1 54 . GLY . 6746 1 55 . ARG . 6746 1 56 . THR . 6746 1 57 . ASP . 6746 1 58 . LYS . 6746 1 59 . ILE . 6746 1 60 . LYS . 6746 1 61 . GLY . 6746 1 62 . LEU . 6746 1 63 . VAL . 6746 1 64 . LEU . 6746 1 65 . ARG . 6746 1 66 . THR . 6746 1 67 . GLU . 6746 1 68 . PHE . 6746 1 69 . LEU . 6746 1 70 . LYS . 6746 1 71 . LYS . 6746 1 72 . ALA . 6746 1 73 . GLY . 6746 1 74 . SER . 6746 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 6746 1 . SER 2 2 6746 1 . ILE 3 3 6746 1 . GLU 4 4 6746 1 . VAL 5 5 6746 1 . ARG 6 6 6746 1 . ASP 7 7 6746 1 . CYS 8 8 6746 1 . ASN 9 9 6746 1 . GLY 10 10 6746 1 . ALA 11 11 6746 1 . LEU 12 12 6746 1 . LEU 13 13 6746 1 . ALA 14 14 6746 1 . ASP 15 15 6746 1 . GLY 16 16 6746 1 . ASP 17 17 6746 1 . ASN 18 18 6746 1 . VAL 19 19 6746 1 . SER 20 20 6746 1 . LEU 21 21 6746 1 . ILE 22 22 6746 1 . LYS 23 23 6746 1 . ASP 24 24 6746 1 . LEU 25 25 6746 1 . LYS 26 26 6746 1 . LEU 27 27 6746 1 . LYS 28 28 6746 1 . GLY 29 29 6746 1 . SER 30 30 6746 1 . SER 31 31 6746 1 . THR 32 32 6746 1 . VAL 33 33 6746 1 . LEU 34 34 6746 1 . LYS 35 35 6746 1 . ARG 36 36 6746 1 . GLY 37 37 6746 1 . THR 38 38 6746 1 . MET 39 39 6746 1 . ILE 40 40 6746 1 . ARG 41 41 6746 1 . GLY 42 42 6746 1 . ILE 43 43 6746 1 . ARG 44 44 6746 1 . LEU 45 45 6746 1 . THR 46 46 6746 1 . ASP 47 47 6746 1 . SER 48 48 6746 1 . GLU 49 49 6746 1 . ASP 50 50 6746 1 . GLU 51 51 6746 1 . ILE 52 52 6746 1 . GLU 53 53 6746 1 . GLY 54 54 6746 1 . ARG 55 55 6746 1 . THR 56 56 6746 1 . ASP 57 57 6746 1 . LYS 58 58 6746 1 . ILE 59 59 6746 1 . LYS 60 60 6746 1 . GLY 61 61 6746 1 . LEU 62 62 6746 1 . VAL 63 63 6746 1 . LEU 64 64 6746 1 . ARG 65 65 6746 1 . THR 66 66 6746 1 . GLU 67 67 6746 1 . PHE 68 68 6746 1 . LEU 69 69 6746 1 . LYS 70 70 6746 1 . LYS 71 71 6746 1 . ALA 72 72 6746 1 . GLY 73 73 6746 1 . SER 74 74 6746 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 6746 _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 $rp4479 . 2303 . . 'rhodopseudomonas palustris' 'Rhodopseudomonas palustris' . . Bacteria . rhodopseudomonas palustris . . . . . . . . . . . . . . . . . . . . . 6746 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 6746 _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 $rp4479 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . plasmid . . PET15B . . . . . . 6746 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6746 _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 'phnA-like protein rp4479' '[U-13C; U-15N]' . . 1 $rp4479 . . 1 . . mM . . . . 6746 1 2 NaCl . . . . . . . 450 . . mM . . . . 6746 1 3 Phosphate . . . . . . . 25 . . mM . . . . 6746 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set1 _Sample_condition_list.Entry_ID 6746 _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 6.5 0.2 pH 6746 1 temperature 298 1 K 6746 1 'ionic strength' 0.45 . M 6746 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 6746 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 6746 1 assignemt 6746 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 6746 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6746 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6746 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 6746 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 6746 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 6746 _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 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6746 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6746 1 3 CBCAcoNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6746 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6746 1 5 CCTOCSY_NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6746 1 6 HCCTOCSY_NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6746 1 7 '13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6746 1 8 HCCHTOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6746 1 9 '15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6746 1 10 '13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6746 1 11 '13,13C 4d CCNOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6746 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6746 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6746 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6746 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCAcoNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6746 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6746 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CCTOCSY_NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6746 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCTOCSY_NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6746 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6746 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6746 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6746 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6746 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '13,13C 4d CCNOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6746 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6746 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6746 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6746 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 6746 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set1 _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 '15N HSQC' 1 $sample_1 . 6746 1 2 HNCO 1 $sample_1 . 6746 1 3 CBCAcoNH 1 $sample_1 . 6746 1 4 HNCACB 1 $sample_1 . 6746 1 5 CCTOCSY_NH 1 $sample_1 . 6746 1 6 HCCTOCSY_NH 1 $sample_1 . 6746 1 7 '13C HSQC' 1 $sample_1 . 6746 1 8 HCCHTOCSY 1 $sample_1 . 6746 1 9 '15N NOESY' 1 $sample_1 . 6746 1 10 '13C NOESY' 1 $sample_1 . 6746 1 11 '13,13C 4d CCNOESY' 1 $sample_1 . 6746 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET N N 15 121.799 0.400 . 1 . . . . . . . . 6746 1 2 . 1 1 1 1 MET H H 1 8.344 0.020 . 1 . . . . . . . . 6746 1 3 . 1 1 1 1 MET CA C 13 55.403 0.400 . 1 . . . . . . . . 6746 1 4 . 1 1 1 1 MET HA H 1 4.480 0.020 . 1 . . . . . . . . 6746 1 5 . 1 1 1 1 MET CB C 13 33.310 0.400 . 1 . . . . . . . . 6746 1 6 . 1 1 1 1 MET HB2 H 1 2.044 0.020 . 2 . . . . . . . . 6746 1 7 . 1 1 1 1 MET HB3 H 1 1.943 0.020 . 2 . . . . . . . . 6746 1 8 . 1 1 1 1 MET CG C 13 32.053 0.400 . 1 . . . . . . . . 6746 1 9 . 1 1 1 1 MET HG2 H 1 2.484 0.020 . 2 . . . . . . . . 6746 1 10 . 1 1 1 1 MET HG3 H 1 2.407 0.020 . 2 . . . . . . . . 6746 1 11 . 1 1 1 1 MET CE C 13 17.010 0.400 . 1 . . . . . . . . 6746 1 12 . 1 1 1 1 MET C C 13 175.889 0.400 . 1 . . . . . . . . 6746 1 13 . 1 1 2 2 SER N N 15 117.608 0.400 . 1 . . . . . . . . 6746 1 14 . 1 1 2 2 SER H H 1 8.363 0.020 . 1 . . . . . . . . 6746 1 15 . 1 1 2 2 SER CA C 13 58.410 0.400 . 1 . . . . . . . . 6746 1 16 . 1 1 2 2 SER HA H 1 4.481 0.020 . 1 . . . . . . . . 6746 1 17 . 1 1 2 2 SER CB C 13 63.813 0.400 . 1 . . . . . . . . 6746 1 18 . 1 1 2 2 SER HB2 H 1 3.835 0.020 . 1 . . . . . . . . 6746 1 19 . 1 1 2 2 SER HB3 H 1 3.835 0.020 . 1 . . . . . . . . 6746 1 20 . 1 1 2 2 SER C C 13 173.928 0.400 . 1 . . . . . . . . 6746 1 21 . 1 1 3 3 ILE N N 15 121.387 0.400 . 1 . . . . . . . . 6746 1 22 . 1 1 3 3 ILE H H 1 8.023 0.020 . 1 . . . . . . . . 6746 1 23 . 1 1 3 3 ILE CA C 13 60.780 0.400 . 1 . . . . . . . . 6746 1 24 . 1 1 3 3 ILE HA H 1 4.304 0.020 . 1 . . . . . . . . 6746 1 25 . 1 1 3 3 ILE CB C 13 40.070 0.400 . 1 . . . . . . . . 6746 1 26 . 1 1 3 3 ILE HB H 1 1.802 0.020 . 1 . . . . . . . . 6746 1 27 . 1 1 3 3 ILE HG21 H 1 0.859 0.020 . 1 . . . . . . . . 6746 1 28 . 1 1 3 3 ILE HG22 H 1 0.859 0.020 . 1 . . . . . . . . 6746 1 29 . 1 1 3 3 ILE HG23 H 1 0.859 0.020 . 1 . . . . . . . . 6746 1 30 . 1 1 3 3 ILE CG2 C 13 17.430 0.400 . 1 . . . . . . . . 6746 1 31 . 1 1 3 3 ILE CG1 C 13 27.050 0.400 . 1 . . . . . . . . 6746 1 32 . 1 1 3 3 ILE HG12 H 1 1.414 0.020 . 2 . . . . . . . . 6746 1 33 . 1 1 3 3 ILE HG13 H 1 1.103 0.020 . 2 . . . . . . . . 6746 1 34 . 1 1 3 3 ILE HD11 H 1 0.750 0.020 . 1 . . . . . . . . 6746 1 35 . 1 1 3 3 ILE HD12 H 1 0.750 0.020 . 1 . . . . . . . . 6746 1 36 . 1 1 3 3 ILE HD13 H 1 0.750 0.020 . 1 . . . . . . . . 6746 1 37 . 1 1 3 3 ILE CD1 C 13 13.410 0.400 . 1 . . . . . . . . 6746 1 38 . 1 1 3 3 ILE C C 13 174.950 0.400 . 1 . . . . . . . . 6746 1 39 . 1 1 4 4 GLU N N 15 125.972 0.400 . 1 . . . . . . . . 6746 1 40 . 1 1 4 4 GLU H H 1 8.623 0.020 . 1 . . . . . . . . 6746 1 41 . 1 1 4 4 GLU CA C 13 55.760 0.400 . 1 . . . . . . . . 6746 1 42 . 1 1 4 4 GLU HA H 1 4.349 0.020 . 1 . . . . . . . . 6746 1 43 . 1 1 4 4 GLU CB C 13 31.010 0.400 . 1 . . . . . . . . 6746 1 44 . 1 1 4 4 GLU HB2 H 1 1.892 0.020 . 2 . . . . . . . . 6746 1 45 . 1 1 4 4 GLU HB3 H 1 1.772 0.020 . 2 . . . . . . . . 6746 1 46 . 1 1 4 4 GLU CG C 13 36.590 0.400 . 1 . . . . . . . . 6746 1 47 . 1 1 4 4 GLU HG2 H 1 2.227 0.020 . 2 . . . . . . . . 6746 1 48 . 1 1 4 4 GLU HG3 H 1 2.054 0.020 . 2 . . . . . . . . 6746 1 49 . 1 1 4 4 GLU C C 13 174.143 0.400 . 1 . . . . . . . . 6746 1 50 . 1 1 5 5 VAL N N 15 127.198 0.400 . 1 . . . . . . . . 6746 1 51 . 1 1 5 5 VAL H H 1 8.743 0.020 . 1 . . . . . . . . 6746 1 52 . 1 1 5 5 VAL CA C 13 62.100 0.400 . 1 . . . . . . . . 6746 1 53 . 1 1 5 5 VAL HA H 1 4.220 0.020 . 1 . . . . . . . . 6746 1 54 . 1 1 5 5 VAL CB C 13 33.090 0.400 . 1 . . . . . . . . 6746 1 55 . 1 1 5 5 VAL HB H 1 1.889 0.020 . 1 . . . . . . . . 6746 1 56 . 1 1 5 5 VAL HG11 H 1 0.794 0.020 . 2 . . . . . . . . 6746 1 57 . 1 1 5 5 VAL HG12 H 1 0.794 0.020 . 2 . . . . . . . . 6746 1 58 . 1 1 5 5 VAL HG13 H 1 0.794 0.020 . 2 . . . . . . . . 6746 1 59 . 1 1 5 5 VAL HG21 H 1 1.011 0.020 . 2 . . . . . . . . 6746 1 60 . 1 1 5 5 VAL HG22 H 1 1.011 0.020 . 2 . . . . . . . . 6746 1 61 . 1 1 5 5 VAL HG23 H 1 1.011 0.020 . 2 . . . . . . . . 6746 1 62 . 1 1 5 5 VAL CG1 C 13 21.840 0.400 . 1 . . . . . . . . 6746 1 63 . 1 1 5 5 VAL CG2 C 13 21.660 0.400 . 1 . . . . . . . . 6746 1 64 . 1 1 5 5 VAL C C 13 174.620 0.400 . 1 . . . . . . . . 6746 1 65 . 1 1 6 6 ARG N N 15 125.355 0.400 . 1 . . . . . . . . 6746 1 66 . 1 1 6 6 ARG H H 1 8.616 0.020 . 1 . . . . . . . . 6746 1 67 . 1 1 6 6 ARG CA C 13 53.490 0.400 . 1 . . . . . . . . 6746 1 68 . 1 1 6 6 ARG HA H 1 5.355 0.020 . 1 . . . . . . . . 6746 1 69 . 1 1 6 6 ARG CB C 13 34.730 0.400 . 1 . . . . . . . . 6746 1 70 . 1 1 6 6 ARG HB2 H 1 1.555 0.020 . 2 . . . . . . . . 6746 1 71 . 1 1 6 6 ARG HB3 H 1 1.381 0.020 . 2 . . . . . . . . 6746 1 72 . 1 1 6 6 ARG CG C 13 28.940 0.400 . 1 . . . . . . . . 6746 1 73 . 1 1 6 6 ARG HG2 H 1 1.378 0.020 . 2 . . . . . . . . 6746 1 74 . 1 1 6 6 ARG HG3 H 1 1.267 0.020 . 2 . . . . . . . . 6746 1 75 . 1 1 6 6 ARG CD C 13 42.980 0.400 . 1 . . . . . . . . 6746 1 76 . 1 1 6 6 ARG HD2 H 1 3.038 0.020 . 1 . . . . . . . . 6746 1 77 . 1 1 6 6 ARG HD3 H 1 3.038 0.020 . 1 . . . . . . . . 6746 1 78 . 1 1 6 6 ARG C C 13 175.889 0.400 . 1 . . . . . . . . 6746 1 79 . 1 1 7 7 ASP N N 15 119.827 0.400 . 1 . . . . . . . . 6746 1 80 . 1 1 7 7 ASP H H 1 8.877 0.020 . 1 . . . . . . . . 6746 1 81 . 1 1 7 7 ASP CA C 13 51.970 0.400 . 1 . . . . . . . . 6746 1 82 . 1 1 7 7 ASP HA H 1 4.448 0.020 . 1 . . . . . . . . 6746 1 83 . 1 1 7 7 ASP CB C 13 40.660 0.400 . 1 . . . . . . . . 6746 1 84 . 1 1 7 7 ASP HB2 H 1 3.711 0.020 . 2 . . . . . . . . 6746 1 85 . 1 1 7 7 ASP HB3 H 1 2.413 0.020 . 2 . . . . . . . . 6746 1 86 . 1 1 7 7 ASP C C 13 178.426 0.400 . 1 . . . . . . . . 6746 1 87 . 1 1 8 8 CYS N N 15 114.116 0.400 . 1 . . . . . . . . 6746 1 88 . 1 1 8 8 CYS H H 1 8.640 0.020 . 1 . . . . . . . . 6746 1 89 . 1 1 8 8 CYS CA C 13 60.210 0.400 . 1 . . . . . . . . 6746 1 90 . 1 1 8 8 CYS HA H 1 4.304 0.020 . 1 . . . . . . . . 6746 1 91 . 1 1 8 8 CYS CB C 13 27.630 0.400 . 1 . . . . . . . . 6746 1 92 . 1 1 8 8 CYS HB2 H 1 3.130 0.020 . 2 . . . . . . . . 6746 1 93 . 1 1 8 8 CYS HB3 H 1 2.894 0.020 . 2 . . . . . . . . 6746 1 94 . 1 1 8 8 CYS C C 13 174.834 0.400 . 1 . . . . . . . . 6746 1 95 . 1 1 9 9 ASN N N 15 121.696 0.400 . 1 . . . . . . . . 6746 1 96 . 1 1 9 9 ASN H H 1 8.402 0.020 . 1 . . . . . . . . 6746 1 97 . 1 1 9 9 ASN CA C 13 52.570 0.400 . 1 . . . . . . . . 6746 1 98 . 1 1 9 9 ASN HA H 1 5.104 0.020 . 1 . . . . . . . . 6746 1 99 . 1 1 9 9 ASN CB C 13 40.330 0.400 . 1 . . . . . . . . 6746 1 100 . 1 1 9 9 ASN HB2 H 1 3.091 0.020 . 2 . . . . . . . . 6746 1 101 . 1 1 9 9 ASN HB3 H 1 2.920 0.020 . 2 . . . . . . . . 6746 1 102 . 1 1 9 9 ASN ND2 N 15 112.939 0.400 . 1 . . . . . . . . 6746 1 103 . 1 1 9 9 ASN HD21 H 1 8.032 0.020 . 2 . . . . . . . . 6746 1 104 . 1 1 9 9 ASN HD22 H 1 6.876 0.020 . 2 . . . . . . . . 6746 1 105 . 1 1 9 9 ASN C C 13 175.839 0.400 . 1 . . . . . . . . 6746 1 106 . 1 1 10 10 GLY N N 15 109.709 0.400 . 1 . . . . . . . . 6746 1 107 . 1 1 10 10 GLY H H 1 8.231 0.020 . 1 . . . . . . . . 6746 1 108 . 1 1 10 10 GLY CA C 13 45.550 0.400 . 1 . . . . . . . . 6746 1 109 . 1 1 10 10 GLY HA2 H 1 4.345 0.020 . 2 . . . . . . . . 6746 1 110 . 1 1 10 10 GLY HA3 H 1 3.628 0.020 . 2 . . . . . . . . 6746 1 111 . 1 1 10 10 GLY C C 13 173.830 0.400 . 1 . . . . . . . . 6746 1 112 . 1 1 11 11 ALA N N 15 128.218 0.400 . 1 . . . . . . . . 6746 1 113 . 1 1 11 11 ALA H H 1 8.939 0.020 . 1 . . . . . . . . 6746 1 114 . 1 1 11 11 ALA CA C 13 51.900 0.400 . 1 . . . . . . . . 6746 1 115 . 1 1 11 11 ALA HA H 1 4.363 0.020 . 1 . . . . . . . . 6746 1 116 . 1 1 11 11 ALA HB1 H 1 1.355 0.020 . 1 . . . . . . . . 6746 1 117 . 1 1 11 11 ALA HB2 H 1 1.355 0.020 . 1 . . . . . . . . 6746 1 118 . 1 1 11 11 ALA HB3 H 1 1.355 0.020 . 1 . . . . . . . . 6746 1 119 . 1 1 11 11 ALA CB C 13 18.950 0.400 . 1 . . . . . . . . 6746 1 120 . 1 1 11 11 ALA C C 13 177.520 0.400 . 1 . . . . . . . . 6746 1 121 . 1 1 12 12 LEU N N 15 122.452 0.400 . 1 . . . . . . . . 6746 1 122 . 1 1 12 12 LEU H H 1 8.366 0.020 . 1 . . . . . . . . 6746 1 123 . 1 1 12 12 LEU CA C 13 55.870 0.400 . 1 . . . . . . . . 6746 1 124 . 1 1 12 12 LEU HA H 1 4.373 0.020 . 1 . . . . . . . . 6746 1 125 . 1 1 12 12 LEU CB C 13 43.080 0.400 . 1 . . . . . . . . 6746 1 126 . 1 1 12 12 LEU HB2 H 1 1.545 0.020 . 1 . . . . . . . . 6746 1 127 . 1 1 12 12 LEU HB3 H 1 1.545 0.020 . 1 . . . . . . . . 6746 1 128 . 1 1 12 12 LEU CG C 13 27.240 0.400 . 1 . . . . . . . . 6746 1 129 . 1 1 12 12 LEU HG H 1 1.684 0.020 . 1 . . . . . . . . 6746 1 130 . 1 1 12 12 LEU HD11 H 1 0.956 0.020 . 2 . . . . . . . . 6746 1 131 . 1 1 12 12 LEU HD12 H 1 0.956 0.020 . 2 . . . . . . . . 6746 1 132 . 1 1 12 12 LEU HD13 H 1 0.956 0.020 . 2 . . . . . . . . 6746 1 133 . 1 1 12 12 LEU HD21 H 1 0.864 0.020 . 2 . . . . . . . . 6746 1 134 . 1 1 12 12 LEU HD22 H 1 0.864 0.020 . 2 . . . . . . . . 6746 1 135 . 1 1 12 12 LEU HD23 H 1 0.864 0.020 . 2 . . . . . . . . 6746 1 136 . 1 1 12 12 LEU CD1 C 13 25.270 0.400 . 1 . . . . . . . . 6746 1 137 . 1 1 12 12 LEU CD2 C 13 24.510 0.400 . 1 . . . . . . . . 6746 1 138 . 1 1 12 12 LEU C C 13 177.223 0.400 . 1 . . . . . . . . 6746 1 139 . 1 1 13 13 LEU N N 15 124.219 0.400 . 1 . . . . . . . . 6746 1 140 . 1 1 13 13 LEU H H 1 8.760 0.020 . 1 . . . . . . . . 6746 1 141 . 1 1 13 13 LEU CA C 13 52.900 0.400 . 1 . . . . . . . . 6746 1 142 . 1 1 13 13 LEU HA H 1 4.703 0.020 . 1 . . . . . . . . 6746 1 143 . 1 1 13 13 LEU CB C 13 44.710 0.400 . 1 . . . . . . . . 6746 1 144 . 1 1 13 13 LEU HB2 H 1 1.473 0.020 . 2 . . . . . . . . 6746 1 145 . 1 1 13 13 LEU HB3 H 1 1.121 0.020 . 2 . . . . . . . . 6746 1 146 . 1 1 13 13 LEU CG C 13 26.570 0.400 . 1 . . . . . . . . 6746 1 147 . 1 1 13 13 LEU HG H 1 1.701 0.020 . 1 . . . . . . . . 6746 1 148 . 1 1 13 13 LEU HD11 H 1 0.516 0.020 . 2 . . . . . . . . 6746 1 149 . 1 1 13 13 LEU HD12 H 1 0.516 0.020 . 2 . . . . . . . . 6746 1 150 . 1 1 13 13 LEU HD13 H 1 0.516 0.020 . 2 . . . . . . . . 6746 1 151 . 1 1 13 13 LEU HD21 H 1 0.805 0.020 . 2 . . . . . . . . 6746 1 152 . 1 1 13 13 LEU HD22 H 1 0.805 0.020 . 2 . . . . . . . . 6746 1 153 . 1 1 13 13 LEU HD23 H 1 0.805 0.020 . 2 . . . . . . . . 6746 1 154 . 1 1 13 13 LEU CD1 C 13 25.297 0.400 . 1 . . . . . . . . 6746 1 155 . 1 1 13 13 LEU CD2 C 13 23.830 0.400 . 1 . . . . . . . . 6746 1 156 . 1 1 13 13 LEU C C 13 174.620 0.400 . 1 . . . . . . . . 6746 1 157 . 1 1 14 14 ALA N N 15 123.181 0.400 . 1 . . . . . . . . 6746 1 158 . 1 1 14 14 ALA H H 1 8.707 0.020 . 1 . . . . . . . . 6746 1 159 . 1 1 14 14 ALA CA C 13 50.090 0.400 . 1 . . . . . . . . 6746 1 160 . 1 1 14 14 ALA HA H 1 4.590 0.020 . 1 . . . . . . . . 6746 1 161 . 1 1 14 14 ALA HB1 H 1 1.317 0.020 . 1 . . . . . . . . 6746 1 162 . 1 1 14 14 ALA HB2 H 1 1.317 0.020 . 1 . . . . . . . . 6746 1 163 . 1 1 14 14 ALA HB3 H 1 1.317 0.020 . 1 . . . . . . . . 6746 1 164 . 1 1 14 14 ALA CB C 13 22.970 0.400 . 1 . . . . . . . . 6746 1 165 . 1 1 14 14 ALA C C 13 175.971 0.400 . 1 . . . . . . . . 6746 1 166 . 1 1 15 15 ASP N N 15 118.775 0.400 . 1 . . . . . . . . 6746 1 167 . 1 1 15 15 ASP H H 1 8.309 0.020 . 1 . . . . . . . . 6746 1 168 . 1 1 15 15 ASP CA C 13 56.090 0.400 . 1 . . . . . . . . 6746 1 169 . 1 1 15 15 ASP HA H 1 4.476 0.020 . 1 . . . . . . . . 6746 1 170 . 1 1 15 15 ASP CB C 13 41.290 0.400 . 1 . . . . . . . . 6746 1 171 . 1 1 15 15 ASP HB2 H 1 2.623 0.020 . 2 . . . . . . . . 6746 1 172 . 1 1 15 15 ASP HB3 H 1 2.494 0.020 . 2 . . . . . . . . 6746 1 173 . 1 1 15 15 ASP C C 13 178.393 0.400 . 1 . . . . . . . . 6746 1 174 . 1 1 16 16 GLY N N 15 112.643 0.400 . 1 . . . . . . . . 6746 1 175 . 1 1 16 16 GLY H H 1 9.762 0.020 . 1 . . . . . . . . 6746 1 176 . 1 1 16 16 GLY CA C 13 45.190 0.400 . 1 . . . . . . . . 6746 1 177 . 1 1 16 16 GLY HA2 H 1 4.473 0.020 . 2 . . . . . . . . 6746 1 178 . 1 1 16 16 GLY HA3 H 1 3.531 0.020 . 2 . . . . . . . . 6746 1 179 . 1 1 16 16 GLY C C 13 174.554 0.400 . 1 . . . . . . . . 6746 1 180 . 1 1 17 17 ASP N N 15 121.336 0.400 . 1 . . . . . . . . 6746 1 181 . 1 1 17 17 ASP H H 1 7.905 0.020 . 1 . . . . . . . . 6746 1 182 . 1 1 17 17 ASP CA C 13 55.510 0.400 . 1 . . . . . . . . 6746 1 183 . 1 1 17 17 ASP HA H 1 4.626 0.020 . 1 . . . . . . . . 6746 1 184 . 1 1 17 17 ASP CB C 13 41.430 0.400 . 1 . . . . . . . . 6746 1 185 . 1 1 17 17 ASP HB2 H 1 2.789 0.020 . 2 . . . . . . . . 6746 1 186 . 1 1 17 17 ASP HB3 H 1 2.608 0.020 . 2 . . . . . . . . 6746 1 187 . 1 1 17 17 ASP C C 13 174.159 0.400 . 1 . . . . . . . . 6746 1 188 . 1 1 18 18 ASN N N 15 115.819 0.400 . 1 . . . . . . . . 6746 1 189 . 1 1 18 18 ASN H H 1 8.684 0.020 . 1 . . . . . . . . 6746 1 190 . 1 1 18 18 ASN CA C 13 51.350 0.400 . 1 . . . . . . . . 6746 1 191 . 1 1 18 18 ASN HA H 1 5.748 0.020 . 1 . . . . . . . . 6746 1 192 . 1 1 18 18 ASN CB C 13 40.170 0.400 . 1 . . . . . . . . 6746 1 193 . 1 1 18 18 ASN HB2 H 1 2.785 0.020 . 2 . . . . . . . . 6746 1 194 . 1 1 18 18 ASN HB3 H 1 2.701 0.020 . 2 . . . . . . . . 6746 1 195 . 1 1 18 18 ASN ND2 N 15 113.300 0.400 . 1 . . . . . . . . 6746 1 196 . 1 1 18 18 ASN HD21 H 1 7.774 0.020 . 2 . . . . . . . . 6746 1 197 . 1 1 18 18 ASN HD22 H 1 6.879 0.020 . 2 . . . . . . . . 6746 1 198 . 1 1 18 18 ASN C C 13 175.411 0.400 . 1 . . . . . . . . 6746 1 199 . 1 1 19 19 VAL N N 15 113.019 0.400 . 1 . . . . . . . . 6746 1 200 . 1 1 19 19 VAL H H 1 9.030 0.020 . 1 . . . . . . . . 6746 1 201 . 1 1 19 19 VAL CA C 13 58.210 0.400 . 1 . . . . . . . . 6746 1 202 . 1 1 19 19 VAL HA H 1 5.283 0.020 . 1 . . . . . . . . 6746 1 203 . 1 1 19 19 VAL CB C 13 36.250 0.400 . 1 . . . . . . . . 6746 1 204 . 1 1 19 19 VAL HB H 1 2.024 0.020 . 1 . . . . . . . . 6746 1 205 . 1 1 19 19 VAL HG11 H 1 0.773 0.020 . 2 . . . . . . . . 6746 1 206 . 1 1 19 19 VAL HG12 H 1 0.773 0.020 . 2 . . . . . . . . 6746 1 207 . 1 1 19 19 VAL HG13 H 1 0.773 0.020 . 2 . . . . . . . . 6746 1 208 . 1 1 19 19 VAL HG21 H 1 0.761 0.020 . 2 . . . . . . . . 6746 1 209 . 1 1 19 19 VAL HG22 H 1 0.761 0.020 . 2 . . . . . . . . 6746 1 210 . 1 1 19 19 VAL HG23 H 1 0.761 0.020 . 2 . . . . . . . . 6746 1 211 . 1 1 19 19 VAL CG1 C 13 22.680 0.400 . 1 . . . . . . . . 6746 1 212 . 1 1 19 19 VAL CG2 C 13 20.350 0.400 . 1 . . . . . . . . 6746 1 213 . 1 1 19 19 VAL C C 13 173.055 0.400 . 1 . . . . . . . . 6746 1 214 . 1 1 20 20 SER N N 15 114.217 0.400 . 1 . . . . . . . . 6746 1 215 . 1 1 20 20 SER H H 1 9.410 0.020 . 1 . . . . . . . . 6746 1 216 . 1 1 20 20 SER CA C 13 55.910 0.400 . 1 . . . . . . . . 6746 1 217 . 1 1 20 20 SER HA H 1 5.580 0.020 . 1 . . . . . . . . 6746 1 218 . 1 1 20 20 SER CB C 13 66.740 0.400 . 1 . . . . . . . . 6746 1 219 . 1 1 20 20 SER HB2 H 1 3.699 0.020 . 2 . . . . . . . . 6746 1 220 . 1 1 20 20 SER HB3 H 1 3.537 0.020 . 2 . . . . . . . . 6746 1 221 . 1 1 20 20 SER C C 13 174.719 0.400 . 1 . . . . . . . . 6746 1 222 . 1 1 21 21 LEU N N 15 122.206 0.400 . 1 . . . . . . . . 6746 1 223 . 1 1 21 21 LEU H H 1 8.019 0.020 . 1 . . . . . . . . 6746 1 224 . 1 1 21 21 LEU CA C 13 54.824 0.400 . 1 . . . . . . . . 6746 1 225 . 1 1 21 21 LEU HA H 1 4.878 0.020 . 1 . . . . . . . . 6746 1 226 . 1 1 21 21 LEU CB C 13 43.080 0.400 . 1 . . . . . . . . 6746 1 227 . 1 1 21 21 LEU HB2 H 1 2.022 0.020 . 2 . . . . . . . . 6746 1 228 . 1 1 21 21 LEU HB3 H 1 1.667 0.020 . 2 . . . . . . . . 6746 1 229 . 1 1 21 21 LEU CG C 13 28.860 0.400 . 1 . . . . . . . . 6746 1 230 . 1 1 21 21 LEU HG H 1 1.778 0.020 . 1 . . . . . . . . 6746 1 231 . 1 1 21 21 LEU HD11 H 1 0.902 0.020 . 1 . . . . . . . . 6746 1 232 . 1 1 21 21 LEU HD12 H 1 0.902 0.020 . 1 . . . . . . . . 6746 1 233 . 1 1 21 21 LEU HD13 H 1 0.902 0.020 . 1 . . . . . . . . 6746 1 234 . 1 1 21 21 LEU HD21 H 1 0.902 0.020 . 1 . . . . . . . . 6746 1 235 . 1 1 21 21 LEU HD22 H 1 0.902 0.020 . 1 . . . . . . . . 6746 1 236 . 1 1 21 21 LEU HD23 H 1 0.902 0.020 . 1 . . . . . . . . 6746 1 237 . 1 1 21 21 LEU CD1 C 13 25.570 0.400 . 1 . . . . . . . . 6746 1 238 . 1 1 21 21 LEU C C 13 181.061 0.400 . 1 . . . . . . . . 6746 1 239 . 1 1 22 22 ILE N N 15 118.145 0.400 . 1 . . . . . . . . 6746 1 240 . 1 1 22 22 ILE H H 1 8.856 0.020 . 1 . . . . . . . . 6746 1 241 . 1 1 22 22 ILE CA C 13 61.850 0.400 . 1 . . . . . . . . 6746 1 242 . 1 1 22 22 ILE HA H 1 4.449 0.020 . 1 . . . . . . . . 6746 1 243 . 1 1 22 22 ILE CB C 13 38.540 0.400 . 1 . . . . . . . . 6746 1 244 . 1 1 22 22 ILE HB H 1 2.251 0.020 . 1 . . . . . . . . 6746 1 245 . 1 1 22 22 ILE HG21 H 1 0.964 0.020 . 1 . . . . . . . . 6746 1 246 . 1 1 22 22 ILE HG22 H 1 0.964 0.020 . 1 . . . . . . . . 6746 1 247 . 1 1 22 22 ILE HG23 H 1 0.964 0.020 . 1 . . . . . . . . 6746 1 248 . 1 1 22 22 ILE CG2 C 13 19.600 0.400 . 1 . . . . . . . . 6746 1 249 . 1 1 22 22 ILE CG1 C 13 26.240 0.400 . 1 . . . . . . . . 6746 1 250 . 1 1 22 22 ILE HG12 H 1 1.273 0.020 . 1 . . . . . . . . 6746 1 251 . 1 1 22 22 ILE HG13 H 1 1.273 0.020 . 1 . . . . . . . . 6746 1 252 . 1 1 22 22 ILE HD11 H 1 1.092 0.020 . 1 . . . . . . . . 6746 1 253 . 1 1 22 22 ILE HD12 H 1 1.092 0.020 . 1 . . . . . . . . 6746 1 254 . 1 1 22 22 ILE HD13 H 1 1.092 0.020 . 1 . . . . . . . . 6746 1 255 . 1 1 22 22 ILE CD1 C 13 15.090 0.400 . 1 . . . . . . . . 6746 1 256 . 1 1 22 22 ILE C C 13 174.571 0.400 . 1 . . . . . . . . 6746 1 257 . 1 1 23 23 LYS N N 15 118.019 0.400 . 1 . . . . . . . . 6746 1 258 . 1 1 23 23 LYS H H 1 7.601 0.020 . 1 . . . . . . . . 6746 1 259 . 1 1 23 23 LYS CA C 13 54.320 0.400 . 1 . . . . . . . . 6746 1 260 . 1 1 23 23 LYS HA H 1 4.504 0.020 . 1 . . . . . . . . 6746 1 261 . 1 1 23 23 LYS CB C 13 35.740 0.400 . 1 . . . . . . . . 6746 1 262 . 1 1 23 23 LYS HB2 H 1 1.815 0.020 . 2 . . . . . . . . 6746 1 263 . 1 1 23 23 LYS HB3 H 1 1.750 0.020 . 2 . . . . . . . . 6746 1 264 . 1 1 23 23 LYS CG C 13 22.680 0.400 . 1 . . . . . . . . 6746 1 265 . 1 1 23 23 LYS HG2 H 1 1.147 0.020 . 1 . . . . . . . . 6746 1 266 . 1 1 23 23 LYS HG3 H 1 1.147 0.020 . 1 . . . . . . . . 6746 1 267 . 1 1 23 23 LYS CD C 13 29.320 0.400 . 1 . . . . . . . . 6746 1 268 . 1 1 23 23 LYS HD2 H 1 1.408 0.020 . 1 . . . . . . . . 6746 1 269 . 1 1 23 23 LYS HD3 H 1 1.408 0.020 . 1 . . . . . . . . 6746 1 270 . 1 1 23 23 LYS CE C 13 41.670 0.400 . 1 . . . . . . . . 6746 1 271 . 1 1 23 23 LYS HE2 H 1 2.603 0.020 . 2 . . . . . . . . 6746 1 272 . 1 1 23 23 LYS HE3 H 1 2.389 0.020 . 2 . . . . . . . . 6746 1 273 . 1 1 23 23 LYS C C 13 172.512 0.400 . 1 . . . . . . . . 6746 1 274 . 1 1 24 24 ASP N N 15 119.153 0.400 . 1 . . . . . . . . 6746 1 275 . 1 1 24 24 ASP H H 1 8.264 0.020 . 1 . . . . . . . . 6746 1 276 . 1 1 24 24 ASP CA C 13 54.350 0.400 . 1 . . . . . . . . 6746 1 277 . 1 1 24 24 ASP HA H 1 4.902 0.020 . 1 . . . . . . . . 6746 1 278 . 1 1 24 24 ASP CB C 13 40.540 0.400 . 1 . . . . . . . . 6746 1 279 . 1 1 24 24 ASP HB2 H 1 2.540 0.020 . 2 . . . . . . . . 6746 1 280 . 1 1 24 24 ASP HB3 H 1 2.321 0.020 . 2 . . . . . . . . 6746 1 281 . 1 1 24 24 ASP C C 13 176.169 0.400 . 1 . . . . . . . . 6746 1 282 . 1 1 25 25 LEU N N 15 123.942 0.400 . 1 . . . . . . . . 6746 1 283 . 1 1 25 25 LEU H H 1 8.970 0.020 . 1 . . . . . . . . 6746 1 284 . 1 1 25 25 LEU CA C 13 53.940 0.400 . 1 . . . . . . . . 6746 1 285 . 1 1 25 25 LEU HA H 1 4.554 0.020 . 1 . . . . . . . . 6746 1 286 . 1 1 25 25 LEU CB C 13 46.350 0.400 . 1 . . . . . . . . 6746 1 287 . 1 1 25 25 LEU HB2 H 1 1.532 0.020 . 2 . . . . . . . . 6746 1 288 . 1 1 25 25 LEU HB3 H 1 1.289 0.020 . 2 . . . . . . . . 6746 1 289 . 1 1 25 25 LEU CG C 13 25.990 0.400 . 1 . . . . . . . . 6746 1 290 . 1 1 25 25 LEU HG H 1 1.427 0.020 . 1 . . . . . . . . 6746 1 291 . 1 1 25 25 LEU HD11 H 1 0.671 0.020 . 2 . . . . . . . . 6746 1 292 . 1 1 25 25 LEU HD12 H 1 0.671 0.020 . 2 . . . . . . . . 6746 1 293 . 1 1 25 25 LEU HD13 H 1 0.671 0.020 . 2 . . . . . . . . 6746 1 294 . 1 1 25 25 LEU HD21 H 1 0.602 0.020 . 2 . . . . . . . . 6746 1 295 . 1 1 25 25 LEU HD22 H 1 0.602 0.020 . 2 . . . . . . . . 6746 1 296 . 1 1 25 25 LEU HD23 H 1 0.602 0.020 . 2 . . . . . . . . 6746 1 297 . 1 1 25 25 LEU CD1 C 13 25.030 0.400 . 1 . . . . . . . . 6746 1 298 . 1 1 25 25 LEU CD2 C 13 25.400 0.400 . 1 . . . . . . . . 6746 1 299 . 1 1 25 25 LEU C C 13 174.653 0.400 . 1 . . . . . . . . 6746 1 300 . 1 1 26 26 LYS N N 15 125.935 0.400 . 1 . . . . . . . . 6746 1 301 . 1 1 26 26 LYS H H 1 8.445 0.020 . 1 . . . . . . . . 6746 1 302 . 1 1 26 26 LYS CA C 13 55.530 0.400 . 1 . . . . . . . . 6746 1 303 . 1 1 26 26 LYS HA H 1 4.628 0.020 . 1 . . . . . . . . 6746 1 304 . 1 1 26 26 LYS CB C 13 33.010 0.400 . 1 . . . . . . . . 6746 1 305 . 1 1 26 26 LYS HB2 H 1 1.784 0.020 . 2 . . . . . . . . 6746 1 306 . 1 1 26 26 LYS HB3 H 1 1.617 0.020 . 2 . . . . . . . . 6746 1 307 . 1 1 26 26 LYS CG C 13 24.680 0.400 . 1 . . . . . . . . 6746 1 308 . 1 1 26 26 LYS HG2 H 1 1.369 0.020 . 2 . . . . . . . . 6746 1 309 . 1 1 26 26 LYS HG3 H 1 1.287 0.020 . 2 . . . . . . . . 6746 1 310 . 1 1 26 26 LYS CD C 13 29.340 0.400 . 1 . . . . . . . . 6746 1 311 . 1 1 26 26 LYS HD2 H 1 1.624 0.020 . 1 . . . . . . . . 6746 1 312 . 1 1 26 26 LYS HD3 H 1 1.624 0.020 . 1 . . . . . . . . 6746 1 313 . 1 1 26 26 LYS CE C 13 42.130 0.400 . 1 . . . . . . . . 6746 1 314 . 1 1 26 26 LYS HE2 H 1 2.965 0.020 . 1 . . . . . . . . 6746 1 315 . 1 1 26 26 LYS HE3 H 1 2.965 0.020 . 1 . . . . . . . . 6746 1 316 . 1 1 26 26 LYS C C 13 176.317 0.400 . 1 . . . . . . . . 6746 1 317 . 1 1 27 27 LEU N N 15 127.511 0.400 . 1 . . . . . . . . 6746 1 318 . 1 1 27 27 LEU H H 1 8.402 0.020 . 1 . . . . . . . . 6746 1 319 . 1 1 27 27 LEU CA C 13 54.460 0.400 . 1 . . . . . . . . 6746 1 320 . 1 1 27 27 LEU HA H 1 4.348 0.020 . 1 . . . . . . . . 6746 1 321 . 1 1 27 27 LEU CB C 13 41.500 0.400 . 1 . . . . . . . . 6746 1 322 . 1 1 27 27 LEU HB2 H 1 1.651 0.020 . 2 . . . . . . . . 6746 1 323 . 1 1 27 27 LEU HB3 H 1 1.515 0.020 . 2 . . . . . . . . 6746 1 324 . 1 1 27 27 LEU HD11 H 1 0.810 0.020 . 2 . . . . . . . . 6746 1 325 . 1 1 27 27 LEU HD12 H 1 0.810 0.020 . 2 . . . . . . . . 6746 1 326 . 1 1 27 27 LEU HD13 H 1 0.810 0.020 . 2 . . . . . . . . 6746 1 327 . 1 1 27 27 LEU HD21 H 1 0.813 0.020 . 2 . . . . . . . . 6746 1 328 . 1 1 27 27 LEU HD22 H 1 0.813 0.020 . 2 . . . . . . . . 6746 1 329 . 1 1 27 27 LEU HD23 H 1 0.813 0.020 . 2 . . . . . . . . 6746 1 330 . 1 1 27 27 LEU CD1 C 13 25.140 0.400 . 1 . . . . . . . . 6746 1 331 . 1 1 27 27 LEU CD2 C 13 22.700 0.400 . 1 . . . . . . . . 6746 1 332 . 1 1 27 27 LEU C C 13 176.959 0.400 . 1 . . . . . . . . 6746 1 333 . 1 1 28 28 LYS N N 15 123.976 0.400 . 1 . . . . . . . . 6746 1 334 . 1 1 28 28 LYS H H 1 8.554 0.020 . 1 . . . . . . . . 6746 1 335 . 1 1 28 28 LYS CA C 13 57.980 0.400 . 1 . . . . . . . . 6746 1 336 . 1 1 28 28 LYS HA H 1 4.115 0.020 . 1 . . . . . . . . 6746 1 337 . 1 1 28 28 LYS CB C 13 32.480 0.400 . 1 . . . . . . . . 6746 1 338 . 1 1 28 28 LYS HB2 H 1 1.868 0.020 . 2 . . . . . . . . 6746 1 339 . 1 1 28 28 LYS HB3 H 1 1.812 0.020 . 2 . . . . . . . . 6746 1 340 . 1 1 28 28 LYS CG C 13 24.760 0.400 . 1 . . . . . . . . 6746 1 341 . 1 1 28 28 LYS HG2 H 1 1.542 0.020 . 2 . . . . . . . . 6746 1 342 . 1 1 28 28 LYS HG3 H 1 1.434 0.020 . 2 . . . . . . . . 6746 1 343 . 1 1 28 28 LYS CD C 13 29.600 0.400 . 1 . . . . . . . . 6746 1 344 . 1 1 28 28 LYS HD2 H 1 1.729 0.020 . 1 . . . . . . . . 6746 1 345 . 1 1 28 28 LYS HD3 H 1 1.729 0.020 . 1 . . . . . . . . 6746 1 346 . 1 1 28 28 LYS CE C 13 42.250 0.400 . 1 . . . . . . . . 6746 1 347 . 1 1 28 28 LYS HE2 H 1 3.026 0.020 . 1 . . . . . . . . 6746 1 348 . 1 1 28 28 LYS HE3 H 1 3.026 0.020 . 1 . . . . . . . . 6746 1 349 . 1 1 28 28 LYS C C 13 177.141 0.400 . 1 . . . . . . . . 6746 1 350 . 1 1 29 29 GLY N N 15 109.478 0.400 . 1 . . . . . . . . 6746 1 351 . 1 1 29 29 GLY H H 1 8.323 0.020 . 1 . . . . . . . . 6746 1 352 . 1 1 29 29 GLY CA C 13 45.500 0.400 . 1 . . . . . . . . 6746 1 353 . 1 1 29 29 GLY HA2 H 1 4.048 0.020 . 1 . . . . . . . . 6746 1 354 . 1 1 29 29 GLY HA3 H 1 4.048 0.020 . 1 . . . . . . . . 6746 1 355 . 1 1 29 29 GLY C C 13 173.764 0.400 . 1 . . . . . . . . 6746 1 356 . 1 1 30 30 SER N N 15 119.978 0.400 . 1 . . . . . . . . 6746 1 357 . 1 1 30 30 SER H H 1 7.955 0.020 . 1 . . . . . . . . 6746 1 358 . 1 1 30 30 SER CA C 13 59.840 0.400 . 1 . . . . . . . . 6746 1 359 . 1 1 30 30 SER HA H 1 4.298 0.020 . 1 . . . . . . . . 6746 1 360 . 1 1 30 30 SER CB C 13 65.080 0.400 . 1 . . . . . . . . 6746 1 361 . 1 1 30 30 SER HB2 H 1 3.872 0.020 . 1 . . . . . . . . 6746 1 362 . 1 1 30 30 SER HB3 H 1 3.872 0.020 . 1 . . . . . . . . 6746 1 363 . 1 1 31 31 SER CA C 13 58.430 0.400 . 1 . . . . . . . . 6746 1 364 . 1 1 31 31 SER HA H 1 4.531 0.020 . 1 . . . . . . . . 6746 1 365 . 1 1 31 31 SER CB C 13 63.380 0.400 . 1 . . . . . . . . 6746 1 366 . 1 1 31 31 SER HB2 H 1 4.019 0.020 . 2 . . . . . . . . 6746 1 367 . 1 1 31 31 SER HB3 H 1 3.946 0.020 . 2 . . . . . . . . 6746 1 368 . 1 1 31 31 SER C C 13 174.637 0.400 . 1 . . . . . . . . 6746 1 369 . 1 1 32 32 THR N N 15 119.788 0.400 . 1 . . . . . . . . 6746 1 370 . 1 1 32 32 THR H H 1 8.247 0.020 . 1 . . . . . . . . 6746 1 371 . 1 1 32 32 THR CA C 13 63.620 0.400 . 1 . . . . . . . . 6746 1 372 . 1 1 32 32 THR HA H 1 4.102 0.020 . 1 . . . . . . . . 6746 1 373 . 1 1 32 32 THR CB C 13 69.800 0.400 . 1 . . . . . . . . 6746 1 374 . 1 1 32 32 THR HB H 1 3.945 0.020 . 1 . . . . . . . . 6746 1 375 . 1 1 32 32 THR HG21 H 1 1.094 0.020 . 1 . . . . . . . . 6746 1 376 . 1 1 32 32 THR HG22 H 1 1.094 0.020 . 1 . . . . . . . . 6746 1 377 . 1 1 32 32 THR HG23 H 1 1.094 0.020 . 1 . . . . . . . . 6746 1 378 . 1 1 32 32 THR CG2 C 13 21.720 0.400 . 1 . . . . . . . . 6746 1 379 . 1 1 32 32 THR C C 13 172.726 0.400 . 1 . . . . . . . . 6746 1 380 . 1 1 33 33 VAL N N 15 126.995 0.400 . 1 . . . . . . . . 6746 1 381 . 1 1 33 33 VAL H H 1 8.410 0.020 . 1 . . . . . . . . 6746 1 382 . 1 1 33 33 VAL CA C 13 60.990 0.400 . 1 . . . . . . . . 6746 1 383 . 1 1 33 33 VAL HA H 1 4.486 0.020 . 1 . . . . . . . . 6746 1 384 . 1 1 33 33 VAL CB C 13 33.960 0.400 . 1 . . . . . . . . 6746 1 385 . 1 1 33 33 VAL HB H 1 1.862 0.020 . 1 . . . . . . . . 6746 1 386 . 1 1 33 33 VAL HG11 H 1 0.645 0.020 . 2 . . . . . . . . 6746 1 387 . 1 1 33 33 VAL HG12 H 1 0.645 0.020 . 2 . . . . . . . . 6746 1 388 . 1 1 33 33 VAL HG13 H 1 0.645 0.020 . 2 . . . . . . . . 6746 1 389 . 1 1 33 33 VAL HG21 H 1 0.868 0.020 . 2 . . . . . . . . 6746 1 390 . 1 1 33 33 VAL HG22 H 1 0.868 0.020 . 2 . . . . . . . . 6746 1 391 . 1 1 33 33 VAL HG23 H 1 0.868 0.020 . 2 . . . . . . . . 6746 1 392 . 1 1 33 33 VAL CG1 C 13 20.660 0.400 . 1 . . . . . . . . 6746 1 393 . 1 1 33 33 VAL CG2 C 13 21.410 0.400 . 1 . . . . . . . . 6746 1 394 . 1 1 33 33 VAL C C 13 176.169 0.400 . 1 . . . . . . . . 6746 1 395 . 1 1 34 34 LEU N N 15 128.611 0.400 . 1 . . . . . . . . 6746 1 396 . 1 1 34 34 LEU H H 1 8.974 0.020 . 1 . . . . . . . . 6746 1 397 . 1 1 34 34 LEU CA C 13 53.050 0.400 . 1 . . . . . . . . 6746 1 398 . 1 1 34 34 LEU HA H 1 4.591 0.020 . 1 . . . . . . . . 6746 1 399 . 1 1 34 34 LEU CB C 13 42.730 0.400 . 1 . . . . . . . . 6746 1 400 . 1 1 34 34 LEU HB2 H 1 1.744 0.020 . 2 . . . . . . . . 6746 1 401 . 1 1 34 34 LEU HB3 H 1 1.252 0.020 . 2 . . . . . . . . 6746 1 402 . 1 1 34 34 LEU CG C 13 26.710 0.400 . 1 . . . . . . . . 6746 1 403 . 1 1 34 34 LEU HG H 1 1.592 0.020 . 1 . . . . . . . . 6746 1 404 . 1 1 34 34 LEU HD11 H 1 0.856 0.020 . 2 . . . . . . . . 6746 1 405 . 1 1 34 34 LEU HD12 H 1 0.856 0.020 . 2 . . . . . . . . 6746 1 406 . 1 1 34 34 LEU HD13 H 1 0.856 0.020 . 2 . . . . . . . . 6746 1 407 . 1 1 34 34 LEU HD21 H 1 0.822 0.020 . 2 . . . . . . . . 6746 1 408 . 1 1 34 34 LEU HD22 H 1 0.822 0.020 . 2 . . . . . . . . 6746 1 409 . 1 1 34 34 LEU HD23 H 1 0.822 0.020 . 2 . . . . . . . . 6746 1 410 . 1 1 34 34 LEU CD1 C 13 26.550 0.400 . 1 . . . . . . . . 6746 1 411 . 1 1 34 34 LEU CD2 C 13 23.640 0.400 . 1 . . . . . . . . 6746 1 412 . 1 1 34 34 LEU C C 13 175.559 0.400 . 1 . . . . . . . . 6746 1 413 . 1 1 35 35 LYS N N 15 121.335 0.400 . 1 . . . . . . . . 6746 1 414 . 1 1 35 35 LYS H H 1 8.235 0.020 . 1 . . . . . . . . 6746 1 415 . 1 1 35 35 LYS CA C 13 55.650 0.400 . 1 . . . . . . . . 6746 1 416 . 1 1 35 35 LYS HA H 1 4.223 0.020 . 1 . . . . . . . . 6746 1 417 . 1 1 35 35 LYS CB C 13 33.210 0.400 . 1 . . . . . . . . 6746 1 418 . 1 1 35 35 LYS HB2 H 1 1.800 0.020 . 2 . . . . . . . . 6746 1 419 . 1 1 35 35 LYS HB3 H 1 1.660 0.020 . 2 . . . . . . . . 6746 1 420 . 1 1 35 35 LYS CG C 13 24.970 0.400 . 1 . . . . . . . . 6746 1 421 . 1 1 35 35 LYS HG2 H 1 1.546 0.020 . 2 . . . . . . . . 6746 1 422 . 1 1 35 35 LYS HG3 H 1 1.454 0.020 . 2 . . . . . . . . 6746 1 423 . 1 1 35 35 LYS CD C 13 28.390 0.400 . 1 . . . . . . . . 6746 1 424 . 1 1 35 35 LYS HD2 H 1 1.646 0.020 . 1 . . . . . . . . 6746 1 425 . 1 1 35 35 LYS HD3 H 1 1.646 0.020 . 1 . . . . . . . . 6746 1 426 . 1 1 35 35 LYS CE C 13 41.940 0.400 . 1 . . . . . . . . 6746 1 427 . 1 1 35 35 LYS HE2 H 1 3.014 0.020 . 1 . . . . . . . . 6746 1 428 . 1 1 35 35 LYS HE3 H 1 3.014 0.020 . 1 . . . . . . . . 6746 1 429 . 1 1 35 35 LYS C C 13 178.063 0.400 . 1 . . . . . . . . 6746 1 430 . 1 1 36 36 ARG N N 15 124.138 0.400 . 1 . . . . . . . . 6746 1 431 . 1 1 36 36 ARG H H 1 9.506 0.020 . 1 . . . . . . . . 6746 1 432 . 1 1 36 36 ARG CA C 13 58.470 0.400 . 1 . . . . . . . . 6746 1 433 . 1 1 36 36 ARG HA H 1 3.401 0.020 . 1 . . . . . . . . 6746 1 434 . 1 1 36 36 ARG CB C 13 30.030 0.400 . 1 . . . . . . . . 6746 1 435 . 1 1 36 36 ARG HB2 H 1 1.642 0.020 . 2 . . . . . . . . 6746 1 436 . 1 1 36 36 ARG HB3 H 1 1.562 0.020 . 2 . . . . . . . . 6746 1 437 . 1 1 36 36 ARG CG C 13 26.400 0.400 . 1 . . . . . . . . 6746 1 438 . 1 1 36 36 ARG HG2 H 1 1.457 0.020 . 2 . . . . . . . . 6746 1 439 . 1 1 36 36 ARG HG3 H 1 1.323 0.020 . 2 . . . . . . . . 6746 1 440 . 1 1 36 36 ARG CD C 13 43.470 0.400 . 1 . . . . . . . . 6746 1 441 . 1 1 36 36 ARG HD2 H 1 3.210 0.020 . 2 . . . . . . . . 6746 1 442 . 1 1 36 36 ARG HD3 H 1 3.141 0.020 . 2 . . . . . . . . 6746 1 443 . 1 1 36 36 ARG C C 13 175.839 0.400 . 1 . . . . . . . . 6746 1 444 . 1 1 37 37 GLY N N 15 115.255 0.400 . 1 . . . . . . . . 6746 1 445 . 1 1 37 37 GLY H H 1 9.084 0.020 . 1 . . . . . . . . 6746 1 446 . 1 1 37 37 GLY CA C 13 44.480 0.400 . 1 . . . . . . . . 6746 1 447 . 1 1 37 37 GLY HA2 H 1 4.440 0.020 . 2 . . . . . . . . 6746 1 448 . 1 1 37 37 GLY HA3 H 1 3.614 0.020 . 2 . . . . . . . . 6746 1 449 . 1 1 37 37 GLY C C 13 174.604 0.400 . 1 . . . . . . . . 6746 1 450 . 1 1 38 38 THR N N 15 118.866 0.400 . 1 . . . . . . . . 6746 1 451 . 1 1 38 38 THR H H 1 8.042 0.020 . 1 . . . . . . . . 6746 1 452 . 1 1 38 38 THR CA C 13 65.620 0.400 . 1 . . . . . . . . 6746 1 453 . 1 1 38 38 THR HA H 1 3.970 0.020 . 1 . . . . . . . . 6746 1 454 . 1 1 38 38 THR CB C 13 69.740 0.400 . 1 . . . . . . . . 6746 1 455 . 1 1 38 38 THR HB H 1 3.982 0.020 . 1 . . . . . . . . 6746 1 456 . 1 1 38 38 THR HG21 H 1 1.256 0.020 . 1 . . . . . . . . 6746 1 457 . 1 1 38 38 THR HG22 H 1 1.256 0.020 . 1 . . . . . . . . 6746 1 458 . 1 1 38 38 THR HG23 H 1 1.256 0.020 . 1 . . . . . . . . 6746 1 459 . 1 1 38 38 THR CG2 C 13 21.260 0.400 . 1 . . . . . . . . 6746 1 460 . 1 1 38 38 THR C C 13 172.858 0.400 . 1 . . . . . . . . 6746 1 461 . 1 1 39 39 MET N N 15 126.709 0.400 . 1 . . . . . . . . 6746 1 462 . 1 1 39 39 MET H H 1 8.657 0.020 . 1 . . . . . . . . 6746 1 463 . 1 1 39 39 MET CA C 13 54.090 0.400 . 1 . . . . . . . . 6746 1 464 . 1 1 39 39 MET HA H 1 4.946 0.020 . 1 . . . . . . . . 6746 1 465 . 1 1 39 39 MET CB C 13 32.880 0.400 . 1 . . . . . . . . 6746 1 466 . 1 1 39 39 MET HB2 H 1 2.068 0.020 . 2 . . . . . . . . 6746 1 467 . 1 1 39 39 MET HB3 H 1 1.896 0.020 . 2 . . . . . . . . 6746 1 468 . 1 1 39 39 MET CG C 13 32.130 0.400 . 1 . . . . . . . . 6746 1 469 . 1 1 39 39 MET HG2 H 1 2.474 0.020 . 1 . . . . . . . . 6746 1 470 . 1 1 39 39 MET HG3 H 1 2.474 0.020 . 1 . . . . . . . . 6746 1 471 . 1 1 39 39 MET HE1 H 1 1.977 0.020 . 1 . . . . . . . . 6746 1 472 . 1 1 39 39 MET HE2 H 1 1.977 0.020 . 1 . . . . . . . . 6746 1 473 . 1 1 39 39 MET HE3 H 1 1.977 0.020 . 1 . . . . . . . . 6746 1 474 . 1 1 39 39 MET CE C 13 16.480 0.400 . 1 . . . . . . . . 6746 1 475 . 1 1 39 39 MET C C 13 174.686 0.400 . 1 . . . . . . . . 6746 1 476 . 1 1 40 40 ILE N N 15 128.307 0.400 . 1 . . . . . . . . 6746 1 477 . 1 1 40 40 ILE H H 1 9.409 0.020 . 1 . . . . . . . . 6746 1 478 . 1 1 40 40 ILE CA C 13 58.990 0.400 . 1 . . . . . . . . 6746 1 479 . 1 1 40 40 ILE HA H 1 4.396 0.020 . 1 . . . . . . . . 6746 1 480 . 1 1 40 40 ILE CB C 13 36.340 0.400 . 1 . . . . . . . . 6746 1 481 . 1 1 40 40 ILE HB H 1 1.952 0.020 . 1 . . . . . . . . 6746 1 482 . 1 1 40 40 ILE HG21 H 1 0.713 0.020 . 1 . . . . . . . . 6746 1 483 . 1 1 40 40 ILE HG22 H 1 0.713 0.020 . 1 . . . . . . . . 6746 1 484 . 1 1 40 40 ILE HG23 H 1 0.713 0.020 . 1 . . . . . . . . 6746 1 485 . 1 1 40 40 ILE CG2 C 13 17.790 0.400 . 1 . . . . . . . . 6746 1 486 . 1 1 40 40 ILE CG1 C 13 26.590 0.400 . 1 . . . . . . . . 6746 1 487 . 1 1 40 40 ILE HG12 H 1 1.244 0.020 . 2 . . . . . . . . 6746 1 488 . 1 1 40 40 ILE HG13 H 1 0.984 0.020 . 2 . . . . . . . . 6746 1 489 . 1 1 40 40 ILE HD11 H 1 0.502 0.020 . 1 . . . . . . . . 6746 1 490 . 1 1 40 40 ILE HD12 H 1 0.502 0.020 . 1 . . . . . . . . 6746 1 491 . 1 1 40 40 ILE HD13 H 1 0.502 0.020 . 1 . . . . . . . . 6746 1 492 . 1 1 40 40 ILE CD1 C 13 11.410 0.400 . 1 . . . . . . . . 6746 1 493 . 1 1 40 40 ILE C C 13 174.966 0.400 . 1 . . . . . . . . 6746 1 494 . 1 1 41 41 ARG N N 15 125.051 0.400 . 1 . . . . . . . . 6746 1 495 . 1 1 41 41 ARG H H 1 8.863 0.020 . 1 . . . . . . . . 6746 1 496 . 1 1 41 41 ARG CA C 13 54.830 0.400 . 1 . . . . . . . . 6746 1 497 . 1 1 41 41 ARG HA H 1 4.998 0.020 . 1 . . . . . . . . 6746 1 498 . 1 1 41 41 ARG CB C 13 32.200 0.400 . 1 . . . . . . . . 6746 1 499 . 1 1 41 41 ARG HB2 H 1 1.704 0.020 . 2 . . . . . . . . 6746 1 500 . 1 1 41 41 ARG HB3 H 1 1.583 0.020 . 2 . . . . . . . . 6746 1 501 . 1 1 41 41 ARG CG C 13 28.360 0.400 . 1 . . . . . . . . 6746 1 502 . 1 1 41 41 ARG HG2 H 1 1.543 0.020 . 2 . . . . . . . . 6746 1 503 . 1 1 41 41 ARG HG3 H 1 1.374 0.020 . 2 . . . . . . . . 6746 1 504 . 1 1 41 41 ARG CD C 13 43.140 0.400 . 1 . . . . . . . . 6746 1 505 . 1 1 41 41 ARG HD2 H 1 3.157 0.020 . 1 . . . . . . . . 6746 1 506 . 1 1 41 41 ARG HD3 H 1 3.157 0.020 . 1 . . . . . . . . 6746 1 507 . 1 1 41 41 ARG C C 13 177.388 0.400 . 1 . . . . . . . . 6746 1 508 . 1 1 42 42 GLY N N 15 110.916 0.400 . 1 . . . . . . . . 6746 1 509 . 1 1 42 42 GLY H H 1 8.178 0.020 . 1 . . . . . . . . 6746 1 510 . 1 1 42 42 GLY CA C 13 47.820 0.400 . 1 . . . . . . . . 6746 1 511 . 1 1 42 42 GLY HA2 H 1 3.762 0.020 . 2 . . . . . . . . 6746 1 512 . 1 1 42 42 GLY HA3 H 1 3.650 0.020 . 2 . . . . . . . . 6746 1 513 . 1 1 42 42 GLY C C 13 175.889 0.400 . 1 . . . . . . . . 6746 1 514 . 1 1 43 43 ILE N N 15 113.958 0.400 . 1 . . . . . . . . 6746 1 515 . 1 1 43 43 ILE H H 1 8.591 0.020 . 1 . . . . . . . . 6746 1 516 . 1 1 43 43 ILE CA C 13 62.510 0.400 . 1 . . . . . . . . 6746 1 517 . 1 1 43 43 ILE HA H 1 4.554 0.020 . 1 . . . . . . . . 6746 1 518 . 1 1 43 43 ILE CB C 13 40.100 0.400 . 1 . . . . . . . . 6746 1 519 . 1 1 43 43 ILE HB H 1 1.849 0.020 . 1 . . . . . . . . 6746 1 520 . 1 1 43 43 ILE HG21 H 1 0.874 0.020 . 1 . . . . . . . . 6746 1 521 . 1 1 43 43 ILE HG22 H 1 0.874 0.020 . 1 . . . . . . . . 6746 1 522 . 1 1 43 43 ILE HG23 H 1 0.874 0.020 . 1 . . . . . . . . 6746 1 523 . 1 1 43 43 ILE CG2 C 13 19.000 0.400 . 1 . . . . . . . . 6746 1 524 . 1 1 43 43 ILE CG1 C 13 25.360 0.400 . 1 . . . . . . . . 6746 1 525 . 1 1 43 43 ILE HG12 H 1 1.358 0.020 . 1 . . . . . . . . 6746 1 526 . 1 1 43 43 ILE HG13 H 1 1.358 0.020 . 1 . . . . . . . . 6746 1 527 . 1 1 43 43 ILE HD11 H 1 0.704 0.020 . 1 . . . . . . . . 6746 1 528 . 1 1 43 43 ILE HD12 H 1 0.704 0.020 . 1 . . . . . . . . 6746 1 529 . 1 1 43 43 ILE HD13 H 1 0.704 0.020 . 1 . . . . . . . . 6746 1 530 . 1 1 43 43 ILE CD1 C 13 16.290 0.400 . 1 . . . . . . . . 6746 1 531 . 1 1 43 43 ILE C C 13 175.576 0.400 . 1 . . . . . . . . 6746 1 532 . 1 1 44 44 ARG N N 15 121.356 0.400 . 1 . . . . . . . . 6746 1 533 . 1 1 44 44 ARG H H 1 9.153 0.020 . 1 . . . . . . . . 6746 1 534 . 1 1 44 44 ARG CA C 13 54.010 0.400 . 1 . . . . . . . . 6746 1 535 . 1 1 44 44 ARG HA H 1 5.060 0.020 . 1 . . . . . . . . 6746 1 536 . 1 1 44 44 ARG CB C 13 33.360 0.400 . 1 . . . . . . . . 6746 1 537 . 1 1 44 44 ARG HB2 H 1 1.865 0.020 . 2 . . . . . . . . 6746 1 538 . 1 1 44 44 ARG HB3 H 1 1.691 0.020 . 2 . . . . . . . . 6746 1 539 . 1 1 44 44 ARG CG C 13 27.190 0.400 . 1 . . . . . . . . 6746 1 540 . 1 1 44 44 ARG HG2 H 1 1.690 0.020 . 1 . . . . . . . . 6746 1 541 . 1 1 44 44 ARG HG3 H 1 1.690 0.020 . 1 . . . . . . . . 6746 1 542 . 1 1 44 44 ARG CD C 13 43.420 0.400 . 1 . . . . . . . . 6746 1 543 . 1 1 44 44 ARG HD2 H 1 3.217 0.020 . 1 . . . . . . . . 6746 1 544 . 1 1 44 44 ARG HD3 H 1 3.217 0.020 . 1 . . . . . . . . 6746 1 545 . 1 1 44 44 ARG C C 13 175.444 0.400 . 1 . . . . . . . . 6746 1 546 . 1 1 45 45 LEU N N 15 123.745 0.400 . 1 . . . . . . . . 6746 1 547 . 1 1 45 45 LEU H H 1 8.856 0.020 . 1 . . . . . . . . 6746 1 548 . 1 1 45 45 LEU CA C 13 55.450 0.400 . 1 . . . . . . . . 6746 1 549 . 1 1 45 45 LEU HA H 1 4.467 0.020 . 1 . . . . . . . . 6746 1 550 . 1 1 45 45 LEU CB C 13 40.540 0.400 . 1 . . . . . . . . 6746 1 551 . 1 1 45 45 LEU HB2 H 1 1.748 0.020 . 1 . . . . . . . . 6746 1 552 . 1 1 45 45 LEU HB3 H 1 1.748 0.020 . 1 . . . . . . . . 6746 1 553 . 1 1 45 45 LEU CG C 13 28.230 0.400 . 1 . . . . . . . . 6746 1 554 . 1 1 45 45 LEU HG H 1 1.782 0.020 . 1 . . . . . . . . 6746 1 555 . 1 1 45 45 LEU HD11 H 1 0.859 0.020 . 2 . . . . . . . . 6746 1 556 . 1 1 45 45 LEU HD12 H 1 0.859 0.020 . 2 . . . . . . . . 6746 1 557 . 1 1 45 45 LEU HD13 H 1 0.859 0.020 . 2 . . . . . . . . 6746 1 558 . 1 1 45 45 LEU HD21 H 1 0.671 0.020 . 2 . . . . . . . . 6746 1 559 . 1 1 45 45 LEU HD22 H 1 0.671 0.020 . 2 . . . . . . . . 6746 1 560 . 1 1 45 45 LEU HD23 H 1 0.671 0.020 . 2 . . . . . . . . 6746 1 561 . 1 1 45 45 LEU CD1 C 13 25.090 0.400 . 1 . . . . . . . . 6746 1 562 . 1 1 45 45 LEU CD2 C 13 22.680 0.400 . 1 . . . . . . . . 6746 1 563 . 1 1 45 45 LEU C C 13 178.178 0.400 . 1 . . . . . . . . 6746 1 564 . 1 1 46 46 THR N N 15 114.647 0.400 . 1 . . . . . . . . 6746 1 565 . 1 1 46 46 THR H H 1 10.006 0.020 . 1 . . . . . . . . 6746 1 566 . 1 1 46 46 THR CA C 13 59.990 0.400 . 1 . . . . . . . . 6746 1 567 . 1 1 46 46 THR HA H 1 4.756 0.020 . 1 . . . . . . . . 6746 1 568 . 1 1 46 46 THR CB C 13 71.030 0.400 . 1 . . . . . . . . 6746 1 569 . 1 1 46 46 THR HB H 1 4.483 0.020 . 1 . . . . . . . . 6746 1 570 . 1 1 46 46 THR HG21 H 1 1.148 0.020 . 1 . . . . . . . . 6746 1 571 . 1 1 46 46 THR HG22 H 1 1.148 0.020 . 1 . . . . . . . . 6746 1 572 . 1 1 46 46 THR HG23 H 1 1.148 0.020 . 1 . . . . . . . . 6746 1 573 . 1 1 46 46 THR CG2 C 13 21.070 0.400 . 1 . . . . . . . . 6746 1 574 . 1 1 46 46 THR C C 13 173.731 0.400 . 1 . . . . . . . . 6746 1 575 . 1 1 47 47 ASP N N 15 116.946 0.400 . 1 . . . . . . . . 6746 1 576 . 1 1 47 47 ASP H H 1 8.273 0.020 . 1 . . . . . . . . 6746 1 577 . 1 1 47 47 ASP CA C 13 54.640 0.400 . 1 . . . . . . . . 6746 1 578 . 1 1 47 47 ASP HA H 1 4.595 0.020 . 1 . . . . . . . . 6746 1 579 . 1 1 47 47 ASP CB C 13 40.400 0.400 . 1 . . . . . . . . 6746 1 580 . 1 1 47 47 ASP HB2 H 1 2.721 0.020 . 1 . . . . . . . . 6746 1 581 . 1 1 47 47 ASP HB3 H 1 2.721 0.020 . 1 . . . . . . . . 6746 1 582 . 1 1 47 47 ASP C C 13 175.839 0.400 . 1 . . . . . . . . 6746 1 583 . 1 1 48 48 SER N N 15 114.244 0.400 . 1 . . . . . . . . 6746 1 584 . 1 1 48 48 SER H H 1 8.051 0.020 . 1 . . . . . . . . 6746 1 585 . 1 1 48 48 SER CA C 13 56.610 0.400 . 1 . . . . . . . . 6746 1 586 . 1 1 48 48 SER HA H 1 4.641 0.020 . 1 . . . . . . . . 6746 1 587 . 1 1 48 48 SER CB C 13 64.930 0.400 . 1 . . . . . . . . 6746 1 588 . 1 1 48 48 SER HB2 H 1 3.833 0.020 . 2 . . . . . . . . 6746 1 589 . 1 1 48 48 SER HB3 H 1 3.750 0.020 . 2 . . . . . . . . 6746 1 590 . 1 1 48 48 SER C C 13 174.406 0.400 . 1 . . . . . . . . 6746 1 591 . 1 1 49 49 GLU N N 15 123.557 0.400 . 1 . . . . . . . . 6746 1 592 . 1 1 49 49 GLU H H 1 9.030 0.020 . 1 . . . . . . . . 6746 1 593 . 1 1 49 49 GLU CA C 13 58.030 0.400 . 1 . . . . . . . . 6746 1 594 . 1 1 49 49 GLU HA H 1 4.155 0.020 . 1 . . . . . . . . 6746 1 595 . 1 1 49 49 GLU CB C 13 29.900 0.400 . 1 . . . . . . . . 6746 1 596 . 1 1 49 49 GLU HB2 H 1 2.106 0.020 . 2 . . . . . . . . 6746 1 597 . 1 1 49 49 GLU HB3 H 1 2.051 0.020 . 2 . . . . . . . . 6746 1 598 . 1 1 49 49 GLU CG C 13 36.540 0.400 . 1 . . . . . . . . 6746 1 599 . 1 1 49 49 GLU HG2 H 1 2.311 0.020 . 1 . . . . . . . . 6746 1 600 . 1 1 49 49 GLU HG3 H 1 2.311 0.020 . 1 . . . . . . . . 6746 1 601 . 1 1 49 49 GLU C C 13 175.345 0.400 . 1 . . . . . . . . 6746 1 602 . 1 1 50 50 ASP N N 15 114.468 0.400 . 1 . . . . . . . . 6746 1 603 . 1 1 50 50 ASP H H 1 8.126 0.020 . 1 . . . . . . . . 6746 1 604 . 1 1 50 50 ASP CA C 13 54.050 0.400 . 1 . . . . . . . . 6746 1 605 . 1 1 50 50 ASP HA H 1 4.779 0.020 . 1 . . . . . . . . 6746 1 606 . 1 1 50 50 ASP CB C 13 42.560 0.400 . 1 . . . . . . . . 6746 1 607 . 1 1 50 50 ASP HB2 H 1 2.686 0.020 . 1 . . . . . . . . 6746 1 608 . 1 1 50 50 ASP HB3 H 1 2.686 0.020 . 1 . . . . . . . . 6746 1 609 . 1 1 50 50 ASP C C 13 176.366 0.400 . 1 . . . . . . . . 6746 1 610 . 1 1 51 51 GLU N N 15 117.089 0.400 . 1 . . . . . . . . 6746 1 611 . 1 1 51 51 GLU H H 1 7.243 0.020 . 1 . . . . . . . . 6746 1 612 . 1 1 51 51 GLU CA C 13 55.020 0.400 . 1 . . . . . . . . 6746 1 613 . 1 1 51 51 GLU HA H 1 5.390 0.020 . 1 . . . . . . . . 6746 1 614 . 1 1 51 51 GLU CB C 13 34.730 0.400 . 1 . . . . . . . . 6746 1 615 . 1 1 51 51 GLU HB2 H 1 1.797 0.020 . 2 . . . . . . . . 6746 1 616 . 1 1 51 51 GLU HB3 H 1 1.698 0.020 . 2 . . . . . . . . 6746 1 617 . 1 1 51 51 GLU CG C 13 36.540 0.400 . 1 . . . . . . . . 6746 1 618 . 1 1 51 51 GLU HG2 H 1 2.110 0.020 . 2 . . . . . . . . 6746 1 619 . 1 1 51 51 GLU HG3 H 1 1.964 0.020 . 2 . . . . . . . . 6746 1 620 . 1 1 51 51 GLU C C 13 175.279 0.400 . 1 . . . . . . . . 6746 1 621 . 1 1 52 52 ILE N N 15 114.038 0.400 . 1 . . . . . . . . 6746 1 622 . 1 1 52 52 ILE H H 1 8.800 0.020 . 1 . . . . . . . . 6746 1 623 . 1 1 52 52 ILE CA C 13 58.030 0.400 . 1 . . . . . . . . 6746 1 624 . 1 1 52 52 ILE HA H 1 4.787 0.020 . 1 . . . . . . . . 6746 1 625 . 1 1 52 52 ILE CB C 13 42.790 0.400 . 1 . . . . . . . . 6746 1 626 . 1 1 52 52 ILE HB H 1 2.020 0.020 . 1 . . . . . . . . 6746 1 627 . 1 1 52 52 ILE HG21 H 1 0.721 0.020 . 1 . . . . . . . . 6746 1 628 . 1 1 52 52 ILE HG22 H 1 0.721 0.020 . 1 . . . . . . . . 6746 1 629 . 1 1 52 52 ILE HG23 H 1 0.721 0.020 . 1 . . . . . . . . 6746 1 630 . 1 1 52 52 ILE CG2 C 13 23.390 0.400 . 1 . . . . . . . . 6746 1 631 . 1 1 52 52 ILE CG1 C 13 26.800 0.400 . 1 . . . . . . . . 6746 1 632 . 1 1 52 52 ILE HG12 H 1 1.221 0.020 . 2 . . . . . . . . 6746 1 633 . 1 1 52 52 ILE HG13 H 1 0.663 0.020 . 2 . . . . . . . . 6746 1 634 . 1 1 52 52 ILE HD11 H 1 0.638 0.020 . 1 . . . . . . . . 6746 1 635 . 1 1 52 52 ILE HD12 H 1 0.638 0.020 . 1 . . . . . . . . 6746 1 636 . 1 1 52 52 ILE HD13 H 1 0.638 0.020 . 1 . . . . . . . . 6746 1 637 . 1 1 52 52 ILE CD1 C 13 14.910 0.400 . 1 . . . . . . . . 6746 1 638 . 1 1 52 52 ILE C C 13 173.797 0.400 . 1 . . . . . . . . 6746 1 639 . 1 1 53 53 GLU N N 15 120.587 0.400 . 1 . . . . . . . . 6746 1 640 . 1 1 53 53 GLU H H 1 8.912 0.020 . 1 . . . . . . . . 6746 1 641 . 1 1 53 53 GLU CA C 13 54.130 0.400 . 1 . . . . . . . . 6746 1 642 . 1 1 53 53 GLU HA H 1 5.545 0.020 . 1 . . . . . . . . 6746 1 643 . 1 1 53 53 GLU CB C 13 32.960 0.400 . 1 . . . . . . . . 6746 1 644 . 1 1 53 53 GLU HB2 H 1 1.970 0.020 . 2 . . . . . . . . 6746 1 645 . 1 1 53 53 GLU HB3 H 1 1.781 0.020 . 2 . . . . . . . . 6746 1 646 . 1 1 53 53 GLU CG C 13 36.730 0.400 . 1 . . . . . . . . 6746 1 647 . 1 1 53 53 GLU HG2 H 1 2.097 0.020 . 1 . . . . . . . . 6746 1 648 . 1 1 53 53 GLU HG3 H 1 2.097 0.020 . 1 . . . . . . . . 6746 1 649 . 1 1 53 53 GLU C C 13 176.235 0.400 . 1 . . . . . . . . 6746 1 650 . 1 1 54 54 GLY N N 15 110.508 0.400 . 1 . . . . . . . . 6746 1 651 . 1 1 54 54 GLY H H 1 8.869 0.020 . 1 . . . . . . . . 6746 1 652 . 1 1 54 54 GLY CA C 13 44.810 0.400 . 1 . . . . . . . . 6746 1 653 . 1 1 54 54 GLY HA2 H 1 4.548 0.020 . 2 . . . . . . . . 6746 1 654 . 1 1 54 54 GLY HA3 H 1 3.400 0.020 . 2 . . . . . . . . 6746 1 655 . 1 1 54 54 GLY C C 13 170.420 0.400 . 1 . . . . . . . . 6746 1 656 . 1 1 55 55 ARG N N 15 115.459 0.400 . 1 . . . . . . . . 6746 1 657 . 1 1 55 55 ARG H H 1 7.907 0.020 . 1 . . . . . . . . 6746 1 658 . 1 1 55 55 ARG CA C 13 54.720 0.400 . 1 . . . . . . . . 6746 1 659 . 1 1 55 55 ARG HA H 1 5.203 0.020 . 1 . . . . . . . . 6746 1 660 . 1 1 55 55 ARG CB C 13 33.340 0.400 . 1 . . . . . . . . 6746 1 661 . 1 1 55 55 ARG HB2 H 1 2.277 0.020 . 2 . . . . . . . . 6746 1 662 . 1 1 55 55 ARG HB3 H 1 2.054 0.020 . 2 . . . . . . . . 6746 1 663 . 1 1 55 55 ARG CG C 13 25.440 0.400 . 1 . . . . . . . . 6746 1 664 . 1 1 55 55 ARG HG2 H 1 1.799 0.020 . 2 . . . . . . . . 6746 1 665 . 1 1 55 55 ARG HG3 H 1 1.411 0.020 . 2 . . . . . . . . 6746 1 666 . 1 1 55 55 ARG CD C 13 43.920 0.400 . 1 . . . . . . . . 6746 1 667 . 1 1 55 55 ARG HD2 H 1 3.193 0.020 . 1 . . . . . . . . 6746 1 668 . 1 1 55 55 ARG HD3 H 1 3.193 0.020 . 1 . . . . . . . . 6746 1 669 . 1 1 55 55 ARG C C 13 175.263 0.400 . 1 . . . . . . . . 6746 1 670 . 1 1 56 56 THR N N 15 111.337 0.400 . 1 . . . . . . . . 6746 1 671 . 1 1 56 56 THR H H 1 8.943 0.020 . 1 . . . . . . . . 6746 1 672 . 1 1 56 56 THR CA C 13 59.470 0.400 . 1 . . . . . . . . 6746 1 673 . 1 1 56 56 THR HA H 1 4.966 0.020 . 1 . . . . . . . . 6746 1 674 . 1 1 56 56 THR CB C 13 70.890 0.400 . 1 . . . . . . . . 6746 1 675 . 1 1 56 56 THR HB H 1 4.732 0.020 . 1 . . . . . . . . 6746 1 676 . 1 1 56 56 THR HG21 H 1 1.172 0.020 . 1 . . . . . . . . 6746 1 677 . 1 1 56 56 THR HG22 H 1 1.172 0.020 . 1 . . . . . . . . 6746 1 678 . 1 1 56 56 THR HG23 H 1 1.172 0.020 . 1 . . . . . . . . 6746 1 679 . 1 1 56 56 THR CG2 C 13 22.280 0.400 . 1 . . . . . . . . 6746 1 680 . 1 1 56 56 THR C C 13 174.670 0.400 . 1 . . . . . . . . 6746 1 681 . 1 1 57 57 ASP N N 15 118.082 0.400 . 1 . . . . . . . . 6746 1 682 . 1 1 57 57 ASP H H 1 8.764 0.020 . 1 . . . . . . . . 6746 1 683 . 1 1 57 57 ASP CA C 13 57.060 0.400 . 1 . . . . . . . . 6746 1 684 . 1 1 57 57 ASP HA H 1 4.389 0.020 . 1 . . . . . . . . 6746 1 685 . 1 1 57 57 ASP CB C 13 40.030 0.400 . 1 . . . . . . . . 6746 1 686 . 1 1 57 57 ASP HB2 H 1 2.778 0.020 . 2 . . . . . . . . 6746 1 687 . 1 1 57 57 ASP HB3 H 1 2.735 0.020 . 2 . . . . . . . . 6746 1 688 . 1 1 57 57 ASP C C 13 176.976 0.400 . 1 . . . . . . . . 6746 1 689 . 1 1 58 58 LYS N N 15 115.343 0.400 . 1 . . . . . . . . 6746 1 690 . 1 1 58 58 LYS H H 1 7.905 0.020 . 1 . . . . . . . . 6746 1 691 . 1 1 58 58 LYS CA C 13 56.120 0.400 . 1 . . . . . . . . 6746 1 692 . 1 1 58 58 LYS HA H 1 4.472 0.020 . 1 . . . . . . . . 6746 1 693 . 1 1 58 58 LYS CB C 13 35.210 0.400 . 1 . . . . . . . . 6746 1 694 . 1 1 58 58 LYS HB2 H 1 1.911 0.020 . 2 . . . . . . . . 6746 1 695 . 1 1 58 58 LYS HB3 H 1 1.742 0.020 . 2 . . . . . . . . 6746 1 696 . 1 1 58 58 LYS CG C 13 25.220 0.400 . 1 . . . . . . . . 6746 1 697 . 1 1 58 58 LYS HG2 H 1 1.467 0.020 . 2 . . . . . . . . 6746 1 698 . 1 1 58 58 LYS HG3 H 1 1.370 0.020 . 2 . . . . . . . . 6746 1 699 . 1 1 58 58 LYS CD C 13 28.380 0.400 . 1 . . . . . . . . 6746 1 700 . 1 1 58 58 LYS HD2 H 1 1.662 0.020 . 1 . . . . . . . . 6746 1 701 . 1 1 58 58 LYS HD3 H 1 1.662 0.020 . 1 . . . . . . . . 6746 1 702 . 1 1 58 58 LYS CE C 13 42.210 0.400 . 1 . . . . . . . . 6746 1 703 . 1 1 58 58 LYS HE2 H 1 3.002 0.020 . 1 . . . . . . . . 6746 1 704 . 1 1 58 58 LYS HE3 H 1 3.002 0.020 . 1 . . . . . . . . 6746 1 705 . 1 1 58 58 LYS C C 13 176.152 0.400 . 1 . . . . . . . . 6746 1 706 . 1 1 59 59 ILE N N 15 120.521 0.400 . 1 . . . . . . . . 6746 1 707 . 1 1 59 59 ILE H H 1 7.733 0.020 . 1 . . . . . . . . 6746 1 708 . 1 1 59 59 ILE CA C 13 60.920 0.400 . 1 . . . . . . . . 6746 1 709 . 1 1 59 59 ILE HA H 1 4.328 0.020 . 1 . . . . . . . . 6746 1 710 . 1 1 59 59 ILE CB C 13 40.310 0.400 . 1 . . . . . . . . 6746 1 711 . 1 1 59 59 ILE HB H 1 1.808 0.020 . 1 . . . . . . . . 6746 1 712 . 1 1 59 59 ILE HG21 H 1 0.906 0.020 . 1 . . . . . . . . 6746 1 713 . 1 1 59 59 ILE HG22 H 1 0.906 0.020 . 1 . . . . . . . . 6746 1 714 . 1 1 59 59 ILE HG23 H 1 0.906 0.020 . 1 . . . . . . . . 6746 1 715 . 1 1 59 59 ILE CG2 C 13 18.310 0.400 . 1 . . . . . . . . 6746 1 716 . 1 1 59 59 ILE CG1 C 13 26.880 0.400 . 1 . . . . . . . . 6746 1 717 . 1 1 59 59 ILE HG12 H 1 1.378 0.020 . 1 . . . . . . . . 6746 1 718 . 1 1 59 59 ILE HG13 H 1 1.378 0.020 . 1 . . . . . . . . 6746 1 719 . 1 1 59 59 ILE HD11 H 1 0.839 0.020 . 1 . . . . . . . . 6746 1 720 . 1 1 59 59 ILE HD12 H 1 0.839 0.020 . 1 . . . . . . . . 6746 1 721 . 1 1 59 59 ILE HD13 H 1 0.839 0.020 . 1 . . . . . . . . 6746 1 722 . 1 1 59 59 ILE CD1 C 13 13.700 0.400 . 1 . . . . . . . . 6746 1 723 . 1 1 59 59 ILE C C 13 174.274 0.400 . 1 . . . . . . . . 6746 1 724 . 1 1 60 60 LYS N N 15 124.766 0.400 . 1 . . . . . . . . 6746 1 725 . 1 1 60 60 LYS H H 1 8.497 0.020 . 1 . . . . . . . . 6746 1 726 . 1 1 60 60 LYS CA C 13 55.570 0.400 . 1 . . . . . . . . 6746 1 727 . 1 1 60 60 LYS HA H 1 4.633 0.020 . 1 . . . . . . . . 6746 1 728 . 1 1 60 60 LYS CB C 13 33.980 0.400 . 1 . . . . . . . . 6746 1 729 . 1 1 60 60 LYS HB2 H 1 1.863 0.020 . 2 . . . . . . . . 6746 1 730 . 1 1 60 60 LYS HB3 H 1 1.771 0.020 . 2 . . . . . . . . 6746 1 731 . 1 1 60 60 LYS CG C 13 24.820 0.400 . 1 . . . . . . . . 6746 1 732 . 1 1 60 60 LYS HG2 H 1 1.428 0.020 . 2 . . . . . . . . 6746 1 733 . 1 1 60 60 LYS HG3 H 1 1.369 0.020 . 2 . . . . . . . . 6746 1 734 . 1 1 60 60 LYS CD C 13 29.340 0.400 . 1 . . . . . . . . 6746 1 735 . 1 1 60 60 LYS HD2 H 1 1.714 0.020 . 1 . . . . . . . . 6746 1 736 . 1 1 60 60 LYS HD3 H 1 1.714 0.020 . 1 . . . . . . . . 6746 1 737 . 1 1 60 60 LYS CE C 13 42.170 0.400 . 1 . . . . . . . . 6746 1 738 . 1 1 60 60 LYS HE2 H 1 3.049 0.020 . 1 . . . . . . . . 6746 1 739 . 1 1 60 60 LYS HE3 H 1 3.049 0.020 . 1 . . . . . . . . 6746 1 740 . 1 1 60 60 LYS C C 13 176.614 0.400 . 1 . . . . . . . . 6746 1 741 . 1 1 61 61 GLY N N 15 108.412 0.400 . 1 . . . . . . . . 6746 1 742 . 1 1 61 61 GLY H H 1 8.289 0.020 . 1 . . . . . . . . 6746 1 743 . 1 1 61 61 GLY CA C 13 47.040 0.400 . 1 . . . . . . . . 6746 1 744 . 1 1 61 61 GLY HA2 H 1 3.944 0.020 . 2 . . . . . . . . 6746 1 745 . 1 1 61 61 GLY HA3 H 1 3.831 0.020 . 2 . . . . . . . . 6746 1 746 . 1 1 61 61 GLY C C 13 174.521 0.400 . 1 . . . . . . . . 6746 1 747 . 1 1 62 62 LEU N N 15 120.888 0.400 . 1 . . . . . . . . 6746 1 748 . 1 1 62 62 LEU H H 1 8.178 0.020 . 1 . . . . . . . . 6746 1 749 . 1 1 62 62 LEU CA C 13 54.610 0.400 . 1 . . . . . . . . 6746 1 750 . 1 1 62 62 LEU HA H 1 4.327 0.020 . 1 . . . . . . . . 6746 1 751 . 1 1 62 62 LEU CB C 13 43.370 0.400 . 1 . . . . . . . . 6746 1 752 . 1 1 62 62 LEU HB2 H 1 1.500 0.020 . 2 . . . . . . . . 6746 1 753 . 1 1 62 62 LEU HB3 H 1 1.251 0.020 . 2 . . . . . . . . 6746 1 754 . 1 1 62 62 LEU CG C 13 26.680 0.400 . 1 . . . . . . . . 6746 1 755 . 1 1 62 62 LEU HG H 1 1.457 0.020 . 1 . . . . . . . . 6746 1 756 . 1 1 62 62 LEU HD11 H 1 0.805 0.020 . 2 . . . . . . . . 6746 1 757 . 1 1 62 62 LEU HD12 H 1 0.805 0.020 . 2 . . . . . . . . 6746 1 758 . 1 1 62 62 LEU HD13 H 1 0.805 0.020 . 2 . . . . . . . . 6746 1 759 . 1 1 62 62 LEU HD21 H 1 0.808 0.020 . 2 . . . . . . . . 6746 1 760 . 1 1 62 62 LEU HD22 H 1 0.808 0.020 . 2 . . . . . . . . 6746 1 761 . 1 1 62 62 LEU HD23 H 1 0.808 0.020 . 2 . . . . . . . . 6746 1 762 . 1 1 62 62 LEU CD1 C 13 26.300 0.400 . 1 . . . . . . . . 6746 1 763 . 1 1 62 62 LEU CD2 C 13 25.130 0.400 . 1 . . . . . . . . 6746 1 764 . 1 1 62 62 LEU C C 13 175.395 0.400 . 1 . . . . . . . . 6746 1 765 . 1 1 63 63 VAL N N 15 124.285 0.400 . 1 . . . . . . . . 6746 1 766 . 1 1 63 63 VAL H H 1 8.189 0.020 . 1 . . . . . . . . 6746 1 767 . 1 1 63 63 VAL CA C 13 61.950 0.400 . 1 . . . . . . . . 6746 1 768 . 1 1 63 63 VAL HA H 1 4.837 0.020 . 1 . . . . . . . . 6746 1 769 . 1 1 63 63 VAL CB C 13 32.380 0.400 . 1 . . . . . . . . 6746 1 770 . 1 1 63 63 VAL HB H 1 1.912 0.020 . 1 . . . . . . . . 6746 1 771 . 1 1 63 63 VAL HG11 H 1 0.777 0.020 . 2 . . . . . . . . 6746 1 772 . 1 1 63 63 VAL HG12 H 1 0.777 0.020 . 2 . . . . . . . . 6746 1 773 . 1 1 63 63 VAL HG13 H 1 0.777 0.020 . 2 . . . . . . . . 6746 1 774 . 1 1 63 63 VAL HG21 H 1 0.910 0.020 . 2 . . . . . . . . 6746 1 775 . 1 1 63 63 VAL HG22 H 1 0.910 0.020 . 2 . . . . . . . . 6746 1 776 . 1 1 63 63 VAL HG23 H 1 0.910 0.020 . 2 . . . . . . . . 6746 1 777 . 1 1 63 63 VAL CG1 C 13 21.440 0.400 . 1 . . . . . . . . 6746 1 778 . 1 1 63 63 VAL CG2 C 13 21.260 0.400 . 1 . . . . . . . . 6746 1 779 . 1 1 63 63 VAL C C 13 176.202 0.400 . 1 . . . . . . . . 6746 1 780 . 1 1 64 64 LEU N N 15 126.965 0.400 . 1 . . . . . . . . 6746 1 781 . 1 1 64 64 LEU H H 1 8.819 0.020 . 1 . . . . . . . . 6746 1 782 . 1 1 64 64 LEU CA C 13 52.980 0.400 . 1 . . . . . . . . 6746 1 783 . 1 1 64 64 LEU HA H 1 4.861 0.020 . 1 . . . . . . . . 6746 1 784 . 1 1 64 64 LEU CB C 13 46.680 0.400 . 1 . . . . . . . . 6746 1 785 . 1 1 64 64 LEU HB2 H 1 1.442 0.020 . 2 . . . . . . . . 6746 1 786 . 1 1 64 64 LEU HB3 H 1 1.318 0.020 . 2 . . . . . . . . 6746 1 787 . 1 1 64 64 LEU CG C 13 26.970 0.400 . 1 . . . . . . . . 6746 1 788 . 1 1 64 64 LEU HG H 1 1.217 0.020 . 1 . . . . . . . . 6746 1 789 . 1 1 64 64 LEU HD11 H 1 0.661 0.020 . 2 . . . . . . . . 6746 1 790 . 1 1 64 64 LEU HD12 H 1 0.661 0.020 . 2 . . . . . . . . 6746 1 791 . 1 1 64 64 LEU HD13 H 1 0.661 0.020 . 2 . . . . . . . . 6746 1 792 . 1 1 64 64 LEU HD21 H 1 0.817 0.020 . 2 . . . . . . . . 6746 1 793 . 1 1 64 64 LEU HD22 H 1 0.817 0.020 . 2 . . . . . . . . 6746 1 794 . 1 1 64 64 LEU HD23 H 1 0.817 0.020 . 2 . . . . . . . . 6746 1 795 . 1 1 64 64 LEU CD1 C 13 26.970 0.400 . 1 . . . . . . . . 6746 1 796 . 1 1 64 64 LEU CD2 C 13 24.530 0.400 . 1 . . . . . . . . 6746 1 797 . 1 1 64 64 LEU C C 13 175.691 0.400 . 1 . . . . . . . . 6746 1 798 . 1 1 65 65 ARG N N 15 121.077 0.400 . 1 . . . . . . . . 6746 1 799 . 1 1 65 65 ARG H H 1 8.375 0.020 . 1 . . . . . . . . 6746 1 800 . 1 1 65 65 ARG CA C 13 55.980 0.400 . 1 . . . . . . . . 6746 1 801 . 1 1 65 65 ARG HA H 1 5.020 0.020 . 1 . . . . . . . . 6746 1 802 . 1 1 65 65 ARG CB C 13 30.470 0.400 . 1 . . . . . . . . 6746 1 803 . 1 1 65 65 ARG HB2 H 1 2.144 0.020 . 2 . . . . . . . . 6746 1 804 . 1 1 65 65 ARG HB3 H 1 1.742 0.020 . 2 . . . . . . . . 6746 1 805 . 1 1 65 65 ARG CG C 13 28.220 0.400 . 1 . . . . . . . . 6746 1 806 . 1 1 65 65 ARG HG2 H 1 1.977 0.020 . 2 . . . . . . . . 6746 1 807 . 1 1 65 65 ARG HG3 H 1 1.730 0.020 . 2 . . . . . . . . 6746 1 808 . 1 1 65 65 ARG CD C 13 43.100 0.400 . 1 . . . . . . . . 6746 1 809 . 1 1 65 65 ARG HD2 H 1 3.471 0.020 . 2 . . . . . . . . 6746 1 810 . 1 1 65 65 ARG HD3 H 1 3.193 0.020 . 2 . . . . . . . . 6746 1 811 . 1 1 65 65 ARG C C 13 178.178 0.400 . 1 . . . . . . . . 6746 1 812 . 1 1 66 66 THR N N 15 114.794 0.400 . 1 . . . . . . . . 6746 1 813 . 1 1 66 66 THR H H 1 8.298 0.020 . 1 . . . . . . . . 6746 1 814 . 1 1 66 66 THR CA C 13 65.038 0.400 . 1 . . . . . . . . 6746 1 815 . 1 1 66 66 THR HA H 1 3.615 0.020 . 1 . . . . . . . . 6746 1 816 . 1 1 66 66 THR CB C 13 67.630 0.400 . 1 . . . . . . . . 6746 1 817 . 1 1 66 66 THR HB H 1 4.533 0.020 . 1 . . . . . . . . 6746 1 818 . 1 1 66 66 THR HG21 H 1 0.882 0.020 . 1 . . . . . . . . 6746 1 819 . 1 1 66 66 THR HG22 H 1 0.882 0.020 . 1 . . . . . . . . 6746 1 820 . 1 1 66 66 THR HG23 H 1 0.882 0.020 . 1 . . . . . . . . 6746 1 821 . 1 1 66 66 THR CG2 C 13 23.750 0.400 . 1 . . . . . . . . 6746 1 822 . 1 1 66 66 THR C C 13 176.399 0.400 . 1 . . . . . . . . 6746 1 823 . 1 1 67 67 GLU N N 15 117.894 0.400 . 1 . . . . . . . . 6746 1 824 . 1 1 67 67 GLU H H 1 8.225 0.020 . 1 . . . . . . . . 6746 1 825 . 1 1 67 67 GLU CA C 13 57.880 0.400 . 1 . . . . . . . . 6746 1 826 . 1 1 67 67 GLU HA H 1 4.002 0.020 . 1 . . . . . . . . 6746 1 827 . 1 1 67 67 GLU CB C 13 28.990 0.400 . 1 . . . . . . . . 6746 1 828 . 1 1 67 67 GLU HB2 H 1 1.899 0.020 . 2 . . . . . . . . 6746 1 829 . 1 1 67 67 GLU HB3 H 1 1.542 0.020 . 2 . . . . . . . . 6746 1 830 . 1 1 67 67 GLU CG C 13 34.730 0.400 . 1 . . . . . . . . 6746 1 831 . 1 1 67 67 GLU HG2 H 1 1.545 0.020 . 2 . . . . . . . . 6746 1 832 . 1 1 67 67 GLU HG3 H 1 0.986 0.020 . 2 . . . . . . . . 6746 1 833 . 1 1 67 67 GLU C C 13 175.773 0.400 . 1 . . . . . . . . 6746 1 834 . 1 1 68 68 PHE N N 15 115.837 0.400 . 1 . . . . . . . . 6746 1 835 . 1 1 68 68 PHE H H 1 7.330 0.020 . 1 . . . . . . . . 6746 1 836 . 1 1 68 68 PHE CA C 13 55.830 0.400 . 1 . . . . . . . . 6746 1 837 . 1 1 68 68 PHE HA H 1 4.993 0.020 . 1 . . . . . . . . 6746 1 838 . 1 1 68 68 PHE CB C 13 39.380 0.400 . 1 . . . . . . . . 6746 1 839 . 1 1 68 68 PHE HB2 H 1 3.627 0.020 . 2 . . . . . . . . 6746 1 840 . 1 1 68 68 PHE HB3 H 1 2.877 0.020 . 2 . . . . . . . . 6746 1 841 . 1 1 68 68 PHE CD1 C 13 131.391 0.400 . 1 . . . . . . . . 6746 1 842 . 1 1 68 68 PHE HD1 H 1 7.202 0.020 . 1 . . . . . . . . 6746 1 843 . 1 1 68 68 PHE HD2 H 1 7.202 0.020 . 1 . . . . . . . . 6746 1 844 . 1 1 68 68 PHE C C 13 174.637 0.400 . 1 . . . . . . . . 6746 1 845 . 1 1 69 69 LEU N N 15 119.379 0.400 . 1 . . . . . . . . 6746 1 846 . 1 1 69 69 LEU H H 1 7.863 0.020 . 1 . . . . . . . . 6746 1 847 . 1 1 69 69 LEU CA C 13 53.230 0.400 . 1 . . . . . . . . 6746 1 848 . 1 1 69 69 LEU HA H 1 5.372 0.020 . 1 . . . . . . . . 6746 1 849 . 1 1 69 69 LEU CB C 13 45.250 0.400 . 1 . . . . . . . . 6746 1 850 . 1 1 69 69 LEU HB2 H 1 1.713 0.020 . 2 . . . . . . . . 6746 1 851 . 1 1 69 69 LEU HB3 H 1 1.130 0.020 . 2 . . . . . . . . 6746 1 852 . 1 1 69 69 LEU CG C 13 25.080 0.400 . 1 . . . . . . . . 6746 1 853 . 1 1 69 69 LEU HG H 1 2.002 0.020 . 1 . . . . . . . . 6746 1 854 . 1 1 69 69 LEU HD11 H 1 0.621 0.020 . 2 . . . . . . . . 6746 1 855 . 1 1 69 69 LEU HD12 H 1 0.621 0.020 . 2 . . . . . . . . 6746 1 856 . 1 1 69 69 LEU HD13 H 1 0.621 0.020 . 2 . . . . . . . . 6746 1 857 . 1 1 69 69 LEU HD21 H 1 0.690 0.020 . 2 . . . . . . . . 6746 1 858 . 1 1 69 69 LEU HD22 H 1 0.690 0.020 . 2 . . . . . . . . 6746 1 859 . 1 1 69 69 LEU HD23 H 1 0.690 0.020 . 2 . . . . . . . . 6746 1 860 . 1 1 69 69 LEU CD1 C 13 26.590 0.400 . 1 . . . . . . . . 6746 1 861 . 1 1 69 69 LEU CD2 C 13 23.860 0.400 . 1 . . . . . . . . 6746 1 862 . 1 1 69 69 LEU C C 13 174.192 0.400 . 1 . . . . . . . . 6746 1 863 . 1 1 70 70 LYS N N 15 120.793 0.400 . 1 . . . . . . . . 6746 1 864 . 1 1 70 70 LYS H H 1 8.994 0.020 . 1 . . . . . . . . 6746 1 865 . 1 1 70 70 LYS CA C 13 54.020 0.400 . 1 . . . . . . . . 6746 1 866 . 1 1 70 70 LYS HA H 1 4.949 0.020 . 1 . . . . . . . . 6746 1 867 . 1 1 70 70 LYS CB C 13 36.750 0.400 . 1 . . . . . . . . 6746 1 868 . 1 1 70 70 LYS HB2 H 1 1.730 0.020 . 2 . . . . . . . . 6746 1 869 . 1 1 70 70 LYS HB3 H 1 1.600 0.020 . 2 . . . . . . . . 6746 1 870 . 1 1 70 70 LYS CG C 13 24.510 0.400 . 1 . . . . . . . . 6746 1 871 . 1 1 70 70 LYS HG2 H 1 1.355 0.020 . 2 . . . . . . . . 6746 1 872 . 1 1 70 70 LYS HG3 H 1 1.289 0.020 . 2 . . . . . . . . 6746 1 873 . 1 1 70 70 LYS CD C 13 29.440 0.400 . 1 . . . . . . . . 6746 1 874 . 1 1 70 70 LYS HD2 H 1 1.609 0.020 . 2 . . . . . . . . 6746 1 875 . 1 1 70 70 LYS HD3 H 1 1.520 0.020 . 2 . . . . . . . . 6746 1 876 . 1 1 70 70 LYS CE C 13 42.330 0.400 . 1 . . . . . . . . 6746 1 877 . 1 1 70 70 LYS HE2 H 1 2.903 0.020 . 1 . . . . . . . . 6746 1 878 . 1 1 70 70 LYS HE3 H 1 2.903 0.020 . 1 . . . . . . . . 6746 1 879 . 1 1 70 70 LYS C C 13 176.053 0.400 . 1 . . . . . . . . 6746 1 880 . 1 1 71 71 LYS N N 15 129.801 0.400 . 1 . . . . . . . . 6746 1 881 . 1 1 71 71 LYS H H 1 10.724 0.020 . 1 . . . . . . . . 6746 1 882 . 1 1 71 71 LYS CA C 13 58.990 0.400 . 1 . . . . . . . . 6746 1 883 . 1 1 71 71 LYS HA H 1 4.167 0.020 . 1 . . . . . . . . 6746 1 884 . 1 1 71 71 LYS CB C 13 32.960 0.400 . 1 . . . . . . . . 6746 1 885 . 1 1 71 71 LYS HB2 H 1 1.756 0.020 . 2 . . . . . . . . 6746 1 886 . 1 1 71 71 LYS HB3 H 1 1.638 0.020 . 2 . . . . . . . . 6746 1 887 . 1 1 71 71 LYS CG C 13 26.010 0.400 . 1 . . . . . . . . 6746 1 888 . 1 1 71 71 LYS HG2 H 1 1.526 0.020 . 2 . . . . . . . . 6746 1 889 . 1 1 71 71 LYS HG3 H 1 1.379 0.020 . 2 . . . . . . . . 6746 1 890 . 1 1 71 71 LYS CD C 13 29.730 0.400 . 1 . . . . . . . . 6746 1 891 . 1 1 71 71 LYS HD2 H 1 1.712 0.020 . 1 . . . . . . . . 6746 1 892 . 1 1 71 71 LYS HD3 H 1 1.712 0.020 . 1 . . . . . . . . 6746 1 893 . 1 1 71 71 LYS CE C 13 42.230 0.400 . 1 . . . . . . . . 6746 1 894 . 1 1 71 71 LYS HE2 H 1 3.007 0.020 . 1 . . . . . . . . 6746 1 895 . 1 1 71 71 LYS HE3 H 1 3.007 0.020 . 1 . . . . . . . . 6746 1 896 . 1 1 71 71 LYS C C 13 175.938 0.400 . 1 . . . . . . . . 6746 1 897 . 1 1 72 72 ALA N N 15 131.617 0.400 . 1 . . . . . . . . 6746 1 898 . 1 1 72 72 ALA H H 1 8.822 0.020 . 1 . . . . . . . . 6746 1 899 . 1 1 72 72 ALA CA C 13 51.640 0.400 . 1 . . . . . . . . 6746 1 900 . 1 1 72 72 ALA HA H 1 4.584 0.020 . 1 . . . . . . . . 6746 1 901 . 1 1 72 72 ALA HB1 H 1 1.297 0.020 . 1 . . . . . . . . 6746 1 902 . 1 1 72 72 ALA HB2 H 1 1.297 0.020 . 1 . . . . . . . . 6746 1 903 . 1 1 72 72 ALA HB3 H 1 1.297 0.020 . 1 . . . . . . . . 6746 1 904 . 1 1 72 72 ALA CB C 13 20.140 0.400 . 1 . . . . . . . . 6746 1 905 . 1 1 72 72 ALA C C 13 177.223 0.400 . 1 . . . . . . . . 6746 1 906 . 1 1 73 73 GLY N N 15 109.902 0.400 . 1 . . . . . . . . 6746 1 907 . 1 1 73 73 GLY H H 1 8.450 0.020 . 1 . . . . . . . . 6746 1 stop_ save_