data_4678 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4678 _Entry.Title ; Solution Structure of the RNA Polymerase Subunit RPB5 from Methanobacterium thermoautotrophicum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-03-03 _Entry.Accession_date 2000-03-03 _Entry.Last_release_date . _Entry.Original_release_date . _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 Adelinda Yee . . . 4678 2 Valerie Booth . . . 4678 3 Akil Dharamsi . . . 4678 4 Asaph Engel . . . 4678 5 Aled Edwards . M. . 4678 6 Cheryl Arrowsmith . . . 4678 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4678 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 566 4678 '13C chemical shifts' 269 4678 '15N chemical shifts' 70 4678 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 2 . . 2009-07-16 2000-03-03 update BMRB 'added time domain data' 4678 1 . . 2000-12-18 2000-03-03 original author 'original release' 4678 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4678 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20300897 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Yee, A., Booth, V., Dharamsi, A., Engel, A., Edwards, A.M., Arrowsmith, C.H., "Solution Structure of the RNA Polymerase Subunit RPB5 from Methanobacterium thermoautotrophicum," Proc. Natl. Acad. Sci. U.S.A. 97, 6311-6315 (2000). ; _Citation.Title ; Solution Structure of the RNA Polymerase Subunit RPB5 from Methanobacterium thermoautotrophicum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 97 _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 6311 _Citation.Page_last 6315 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Adelinda Yee . . . 4678 1 2 Valerie Booth . . . 4678 1 3 Akil Dharamsi . . . 4678 1 4 Asaph Engel . . . 4678 1 5 Aled Edwards . M. . 4678 1 6 Cheryl Arrowsmith . . . 4678 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID rnap 4678 1 'rna polymerase' 4678 1 mt 4678 1 'methanobacterium thermoautotrophicum' 4678 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_rpb5 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_rpb5 _Assembly.Entry_ID 4678 _Assembly.ID 1 _Assembly.Name mtrpbH _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 4678 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 rpb5 1 $rpb5 . . . native . . . . . 4678 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1EIK . 'A Chain A, Solution Structure Of Rna Polymerase Subunit Rpb5 From Methanobacterium Thermoautotrophicum' . . . . 4678 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID mtrpbH system 4678 1 rpb5 abbreviation 4678 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rpb5 _Entity.Sf_category entity _Entity.Sf_framecode rpb5 _Entity.Entry_ID 4678 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'rna polymerase subunit 5' _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 ; MKREILKHQLVPEHVILNES EAKRVLKELDAHPEQLPKIK TTDPVAKAIGAKRGDIVKII RKSPTAEEFVTYRLVQD ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1EIK . "Solution Structure Of Rna Polymerase Subunit Rpb5 From Methanobacterium Thermoautotrophicum" . . . . . 100.00 77 100.00 100.00 7.01e-46 . . . . 4678 1 2 no DBJ BAM70200 . "DNA-directed RNA polymerase subunit H [Methanothermobacter sp. CaT2]" . . . . . 100.00 77 98.70 100.00 1.55e-45 . . . . 4678 1 3 no GB AAB85539 . "DNA-dependent RNA polymerase, subunit H [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 77 100.00 100.00 7.01e-46 . . . . 4678 1 4 no REF WP_010876674 . "DNA-directed RNA polymerase subunit H [Methanothermobacter thermautotrophicus]" . . . . . 100.00 77 100.00 100.00 7.01e-46 . . . . 4678 1 5 no REF WP_048175656 . "DNA-directed RNA polymerase subunit H [Methanothermobacter sp. CaT2]" . . . . . 100.00 77 98.70 100.00 1.55e-45 . . . . 4678 1 6 no SP O27122 . "RecName: Full=DNA-directed RNA polymerase subunit H; AltName: Full=RPB5" . . . . . 100.00 77 100.00 100.00 7.01e-46 . . . . 4678 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'rna polymerase subunit 5' common 4678 1 rpb5 abbreviation 4678 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 . 4678 1 2 . LYS . 4678 1 3 . ARG . 4678 1 4 . GLU . 4678 1 5 . ILE . 4678 1 6 . LEU . 4678 1 7 . LYS . 4678 1 8 . HIS . 4678 1 9 . GLN . 4678 1 10 . LEU . 4678 1 11 . VAL . 4678 1 12 . PRO . 4678 1 13 . GLU . 4678 1 14 . HIS . 4678 1 15 . VAL . 4678 1 16 . ILE . 4678 1 17 . LEU . 4678 1 18 . ASN . 4678 1 19 . GLU . 4678 1 20 . SER . 4678 1 21 . GLU . 4678 1 22 . ALA . 4678 1 23 . LYS . 4678 1 24 . ARG . 4678 1 25 . VAL . 4678 1 26 . LEU . 4678 1 27 . LYS . 4678 1 28 . GLU . 4678 1 29 . LEU . 4678 1 30 . ASP . 4678 1 31 . ALA . 4678 1 32 . HIS . 4678 1 33 . PRO . 4678 1 34 . GLU . 4678 1 35 . GLN . 4678 1 36 . LEU . 4678 1 37 . PRO . 4678 1 38 . LYS . 4678 1 39 . ILE . 4678 1 40 . LYS . 4678 1 41 . THR . 4678 1 42 . THR . 4678 1 43 . ASP . 4678 1 44 . PRO . 4678 1 45 . VAL . 4678 1 46 . ALA . 4678 1 47 . LYS . 4678 1 48 . ALA . 4678 1 49 . ILE . 4678 1 50 . GLY . 4678 1 51 . ALA . 4678 1 52 . LYS . 4678 1 53 . ARG . 4678 1 54 . GLY . 4678 1 55 . ASP . 4678 1 56 . ILE . 4678 1 57 . VAL . 4678 1 58 . LYS . 4678 1 59 . ILE . 4678 1 60 . ILE . 4678 1 61 . ARG . 4678 1 62 . LYS . 4678 1 63 . SER . 4678 1 64 . PRO . 4678 1 65 . THR . 4678 1 66 . ALA . 4678 1 67 . GLU . 4678 1 68 . GLU . 4678 1 69 . PHE . 4678 1 70 . VAL . 4678 1 71 . THR . 4678 1 72 . TYR . 4678 1 73 . ARG . 4678 1 74 . LEU . 4678 1 75 . VAL . 4678 1 76 . GLN . 4678 1 77 . ASP . 4678 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 4678 1 . LYS 2 2 4678 1 . ARG 3 3 4678 1 . GLU 4 4 4678 1 . ILE 5 5 4678 1 . LEU 6 6 4678 1 . LYS 7 7 4678 1 . HIS 8 8 4678 1 . GLN 9 9 4678 1 . LEU 10 10 4678 1 . VAL 11 11 4678 1 . PRO 12 12 4678 1 . GLU 13 13 4678 1 . HIS 14 14 4678 1 . VAL 15 15 4678 1 . ILE 16 16 4678 1 . LEU 17 17 4678 1 . ASN 18 18 4678 1 . GLU 19 19 4678 1 . SER 20 20 4678 1 . GLU 21 21 4678 1 . ALA 22 22 4678 1 . LYS 23 23 4678 1 . ARG 24 24 4678 1 . VAL 25 25 4678 1 . LEU 26 26 4678 1 . LYS 27 27 4678 1 . GLU 28 28 4678 1 . LEU 29 29 4678 1 . ASP 30 30 4678 1 . ALA 31 31 4678 1 . HIS 32 32 4678 1 . PRO 33 33 4678 1 . GLU 34 34 4678 1 . GLN 35 35 4678 1 . LEU 36 36 4678 1 . PRO 37 37 4678 1 . LYS 38 38 4678 1 . ILE 39 39 4678 1 . LYS 40 40 4678 1 . THR 41 41 4678 1 . THR 42 42 4678 1 . ASP 43 43 4678 1 . PRO 44 44 4678 1 . VAL 45 45 4678 1 . ALA 46 46 4678 1 . LYS 47 47 4678 1 . ALA 48 48 4678 1 . ILE 49 49 4678 1 . GLY 50 50 4678 1 . ALA 51 51 4678 1 . LYS 52 52 4678 1 . ARG 53 53 4678 1 . GLY 54 54 4678 1 . ASP 55 55 4678 1 . ILE 56 56 4678 1 . VAL 57 57 4678 1 . LYS 58 58 4678 1 . ILE 59 59 4678 1 . ILE 60 60 4678 1 . ARG 61 61 4678 1 . LYS 62 62 4678 1 . SER 63 63 4678 1 . PRO 64 64 4678 1 . THR 65 65 4678 1 . ALA 66 66 4678 1 . GLU 67 67 4678 1 . GLU 68 68 4678 1 . PHE 69 69 4678 1 . VAL 70 70 4678 1 . THR 71 71 4678 1 . TYR 72 72 4678 1 . ARG 73 73 4678 1 . LEU 74 74 4678 1 . VAL 75 75 4678 1 . GLN 76 76 4678 1 . ASP 77 77 4678 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 4678 _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 $rpb5 . 2166 organism . 'Methanobacterium thermoautotrophicum' 'Methanobacterium thermoautotrophicum' . . Archaea . Methanobacterium thermoautotrophicum . . . . . . . . . . . . . . . . . . . . . 4678 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 4678 _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 $rpb5 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4678 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4678 _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 'rna polymerase subunit 5' '[U-13C; U-15N]' . . 1 $rpb5 . . 1 0.7 1.2 mM . . . . 4678 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4678 _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 4678 1 temperature 298 1 K 4678 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 4678 _Software.ID 1 _Software.Name nmrview _Software.Version 3.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 4678 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4678 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4678 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4678 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 500 . . . 4678 1 2 spectrometer_2 Varian Inova . 600 . . . 4678 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 4678 _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 HNCACB yes 1 . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4678 1 2 HBCBCACONNH yes 2 . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4678 1 3 HCCHTOCSY yes 3 . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4678 1 4 HCCTOCSY no . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4678 1 5 HNCO yes 4 . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4678 1 6 CCC-TOCSY yes 5 . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4678 1 7 15N-DIPSI yes 6 . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4678 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4678 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.772 internal direct . internal spherical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4678 1 C 13 'sodium acetate' 'methyl carbons' . . . . ppm 25.85 external direct . external_to_the_sample spherical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4678 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4678 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_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4678 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4678 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 HA H 1 4.10 . . . . . . . . . . . 4678 1 2 . 1 1 1 1 MET CA C 13 62.24 . . . . . . . . . . . 4678 1 3 . 1 1 1 1 MET HB2 H 1 2.06 . . . . . . . . . . . 4678 1 4 . 1 1 1 1 MET HB3 H 1 2.06 . . . . . . . . . . . 4678 1 5 . 1 1 1 1 MET CB C 13 32.71 . . . . . . . . . . . 4678 1 6 . 1 1 1 1 MET HG2 H 1 0.94 . . . . . . . . . . . 4678 1 7 . 1 1 1 1 MET HG3 H 1 0.94 . . . . . . . . . . . 4678 1 8 . 1 1 1 1 MET CG C 13 20.83 . . . . . . . . . . . 4678 1 9 . 1 1 2 2 LYS HA H 1 4.32 . . . . . . . . . . . 4678 1 10 . 1 1 2 2 LYS CA C 13 56.20 . . . . . . . . . . . 4678 1 11 . 1 1 2 2 LYS HB2 H 1 1.79 . . . . . . . . . . . 4678 1 12 . 1 1 2 2 LYS HB3 H 1 1.79 . . . . . . . . . . . 4678 1 13 . 1 1 2 2 LYS CB C 13 32.79 . . . . . . . . . . . 4678 1 14 . 1 1 2 2 LYS HG2 H 1 1.42 . . . . . . . . . . . 4678 1 15 . 1 1 2 2 LYS HG3 H 1 1.42 . . . . . . . . . . . 4678 1 16 . 1 1 2 2 LYS CG C 13 24.71 . . . . . . . . . . . 4678 1 17 . 1 1 2 2 LYS HD2 H 1 1.69 . . . . . . . . . . . 4678 1 18 . 1 1 2 2 LYS HD3 H 1 1.69 . . . . . . . . . . . 4678 1 19 . 1 1 2 2 LYS CD C 13 29.14 . . . . . . . . . . . 4678 1 20 . 1 1 2 2 LYS HE2 H 1 3.01 . . . . . . . . . . . 4678 1 21 . 1 1 2 2 LYS HE3 H 1 3.01 . . . . . . . . . . . 4678 1 22 . 1 1 2 2 LYS CE C 13 42.05 . . . . . . . . . . . 4678 1 23 . 1 1 2 2 LYS H H 1 8.40 . . . . . . . . . . . 4678 1 24 . 1 1 2 2 LYS N N 15 128.75 . . . . . . . . . . . 4678 1 25 . 1 1 3 3 ARG HA H 1 4.35 . . . . . . . . . . . 4678 1 26 . 1 1 3 3 ARG CA C 13 55.98 . . . . . . . . . . . 4678 1 27 . 1 1 3 3 ARG HB2 H 1 1.77 . . . . . . . . . . . 4678 1 28 . 1 1 3 3 ARG HB3 H 1 1.77 . . . . . . . . . . . 4678 1 29 . 1 1 3 3 ARG CB C 13 30.73 . . . . . . . . . . . 4678 1 30 . 1 1 3 3 ARG HG2 H 1 1.62 . . . . . . . . . . . 4678 1 31 . 1 1 3 3 ARG HG3 H 1 1.62 . . . . . . . . . . . 4678 1 32 . 1 1 3 3 ARG CG C 13 27.09 . . . . . . . . . . . 4678 1 33 . 1 1 3 3 ARG HD2 H 1 3.21 . . . . . . . . . . . 4678 1 34 . 1 1 3 3 ARG HD3 H 1 3.21 . . . . . . . . . . . 4678 1 35 . 1 1 3 3 ARG CD C 13 43.16 . . . . . . . . . . . 4678 1 36 . 1 1 3 3 ARG H H 1 8.36 . . . . . . . . . . . 4678 1 37 . 1 1 3 3 ARG N N 15 126.06 . . . . . . . . . . . 4678 1 38 . 1 1 4 4 GLU HA H 1 4.29 . . . . . . . . . . . 4678 1 39 . 1 1 4 4 GLU CA C 13 56.36 . . . . . . . . . . . 4678 1 40 . 1 1 4 4 GLU H H 1 8.49 . . . . . . . . . . . 4678 1 41 . 1 1 4 4 GLU N N 15 125.61 . . . . . . . . . . . 4678 1 42 . 1 1 4 4 GLU HB2 H 1 2.24 . . . . . . . . . . . 4678 1 43 . 1 1 4 4 GLU HB3 H 1 2.24 . . . . . . . . . . . 4678 1 44 . 1 1 4 4 GLU CB C 13 30.33 . . . . . . . . . . . 4678 1 45 . 1 1 4 4 GLU HG2 H 1 2.24 . . . . . . . . . . . 4678 1 46 . 1 1 4 4 GLU HG3 H 1 2.24 . . . . . . . . . . . 4678 1 47 . 1 1 4 4 GLU CG C 13 35.95 . . . . . . . . . . . 4678 1 48 . 1 1 5 5 ILE HA H 1 4.13 . . . . . . . . . . . 4678 1 49 . 1 1 5 5 ILE CA C 13 61.05 . . . . . . . . . . . 4678 1 50 . 1 1 5 5 ILE HB H 1 1.85 . . . . . . . . . . . 4678 1 51 . 1 1 5 5 ILE CB C 13 38.33 . . . . . . . . . . . 4678 1 52 . 1 1 5 5 ILE HG13 H 1 1.20 . . . . . . . . . . . 4678 1 53 . 1 1 5 5 ILE CG1 C 13 27.24 . . . . . . . . . . . 4678 1 54 . 1 1 5 5 ILE HG12 H 1 1.49 . . . . . . . . . . . 4678 1 55 . 1 1 5 5 ILE HG21 H 1 0.88 . . . . . . . . . . . 4678 1 56 . 1 1 5 5 ILE HG22 H 1 0.88 . . . . . . . . . . . 4678 1 57 . 1 1 5 5 ILE HG23 H 1 0.88 . . . . . . . . . . . 4678 1 58 . 1 1 5 5 ILE CG2 C 13 17.35 . . . . . . . . . . . 4678 1 59 . 1 1 5 5 ILE HD11 H 1 0.88 . . . . . . . . . . . 4678 1 60 . 1 1 5 5 ILE HD12 H 1 0.88 . . . . . . . . . . . 4678 1 61 . 1 1 5 5 ILE HD13 H 1 0.88 . . . . . . . . . . . 4678 1 62 . 1 1 5 5 ILE CD1 C 13 13.15 . . . . . . . . . . . 4678 1 63 . 1 1 5 5 ILE H H 1 8.20 . . . . . . . . . . . 4678 1 64 . 1 1 5 5 ILE N N 15 125.44 . . . . . . . . . . . 4678 1 65 . 1 1 6 6 LEU HA H 1 4.32 . . . . . . . . . . . 4678 1 66 . 1 1 6 6 LEU CA C 13 54.88 . . . . . . . . . . . 4678 1 67 . 1 1 6 6 LEU HB2 H 1 1.52 . . . . . . . . . . . 4678 1 68 . 1 1 6 6 LEU HB3 H 1 1.52 . . . . . . . . . . . 4678 1 69 . 1 1 6 6 LEU CB C 13 41.97 . . . . . . . . . . . 4678 1 70 . 1 1 6 6 LEU HG H 1 1.61 . . . . . . . . . . . 4678 1 71 . 1 1 6 6 LEU CG C 13 27.09 . . . . . . . . . . . 4678 1 72 . 1 1 6 6 LEU HD11 H 1 0.93 . . . . . . . . . . . 4678 1 73 . 1 1 6 6 LEU HD12 H 1 0.93 . . . . . . . . . . . 4678 1 74 . 1 1 6 6 LEU HD13 H 1 0.93 . . . . . . . . . . . 4678 1 75 . 1 1 6 6 LEU CD1 C 13 25.03 . . . . . . . . . . . 4678 1 76 . 1 1 6 6 LEU HD21 H 1 0.87 . . . . . . . . . . . 4678 1 77 . 1 1 6 6 LEU HD22 H 1 0.87 . . . . . . . . . . . 4678 1 78 . 1 1 6 6 LEU HD23 H 1 0.87 . . . . . . . . . . . 4678 1 79 . 1 1 6 6 LEU CD2 C 13 23.05 . . . . . . . . . . . 4678 1 80 . 1 1 6 6 LEU H H 1 8.23 . . . . . . . . . . . 4678 1 81 . 1 1 6 6 LEU N N 15 128.93 . . . . . . . . . . . 4678 1 82 . 1 1 7 7 LYS H H 1 8.24 . . . . . . . . . . . 4678 1 83 . 1 1 7 7 LYS N N 15 124.53 . . . . . . . . . . . 4678 1 84 . 1 1 7 7 LYS HA H 1 4.18 . . . . . . . . . . . 4678 1 85 . 1 1 7 7 LYS CA C 13 56.53 . . . . . . . . . . . 4678 1 86 . 1 1 7 7 LYS HB3 H 1 1.64 . . . . . . . . . . . 4678 1 87 . 1 1 7 7 LYS HB2 H 1 1.73 . . . . . . . . . . . 4678 1 88 . 1 1 7 7 LYS CB C 13 32.62 . . . . . . . . . . . 4678 1 89 . 1 1 7 7 LYS HG2 H 1 1.65 . . . . . . . . . . . 4678 1 90 . 1 1 7 7 LYS HG3 H 1 1.65 . . . . . . . . . . . 4678 1 91 . 1 1 7 7 LYS CD C 13 28.90 . . . . . . . . . . . 4678 1 92 . 1 1 7 7 LYS HD2 H 1 1.38 . . . . . . . . . . . 4678 1 93 . 1 1 7 7 LYS CG C 13 24.63 . . . . . . . . . . . 4678 1 94 . 1 1 7 7 LYS HD3 H 1 2.95 . . . . . . . . . . . 4678 1 95 . 1 1 7 7 LYS CE C 13 41.97 . . . . . . . . . . . 4678 1 96 . 1 1 8 8 HIS H H 1 8.10 . . . . . . . . . . . 4678 1 97 . 1 1 8 8 HIS N N 15 121.95 . . . . . . . . . . . 4678 1 98 . 1 1 8 8 HIS HA H 1 4.32 . . . . . . . . . . . 4678 1 99 . 1 1 8 8 HIS CA C 13 56.33 . . . . . . . . . . . 4678 1 100 . 1 1 8 8 HIS HB2 H 1 1.84 . . . . . . . . . . . 4678 1 101 . 1 1 8 8 HIS HB3 H 1 1.84 . . . . . . . . . . . 4678 1 102 . 1 1 8 8 HIS CB C 13 30.53 . . . . . . . . . . . 4678 1 103 . 1 1 8 8 HIS HE1 H 1 7.21 . . . . . . . . . . . 4678 1 104 . 1 1 9 9 GLN HA H 1 4.32 . . . . . . . . . . . 4678 1 105 . 1 1 9 9 GLN CA C 13 55.66 . . . . . . . . . . . 4678 1 106 . 1 1 9 9 GLN HB2 H 1 2.28 . . . . . . . . . . . 4678 1 107 . 1 1 9 9 GLN HB3 H 1 2.28 . . . . . . . . . . . 4678 1 108 . 1 1 9 9 GLN CB C 13 33.73 . . . . . . . . . . . 4678 1 109 . 1 1 10 10 LEU HA H 1 4.36 . . . . . . . . . . . 4678 1 110 . 1 1 10 10 LEU CA C 13 54.95 . . . . . . . . . . . 4678 1 111 . 1 1 10 10 LEU HB3 H 1 1.65 . . . . . . . . . . . 4678 1 112 . 1 1 10 10 LEU CB C 13 42.05 . . . . . . . . . . . 4678 1 113 . 1 1 10 10 LEU HB2 H 1 1.52 . . . . . . . . . . . 4678 1 114 . 1 1 10 10 LEU HG H 1 1.64 . . . . . . . . . . . 4678 1 115 . 1 1 10 10 LEU CG C 13 26.85 . . . . . . . . . . . 4678 1 116 . 1 1 10 10 LEU HD11 H 1 0.93 . . . . . . . . . . . 4678 1 117 . 1 1 10 10 LEU HD12 H 1 0.93 . . . . . . . . . . . 4678 1 118 . 1 1 10 10 LEU HD13 H 1 0.93 . . . . . . . . . . . 4678 1 119 . 1 1 10 10 LEU CD1 C 13 24.95 . . . . . . . . . . . 4678 1 120 . 1 1 10 10 LEU HD21 H 1 0.88 . . . . . . . . . . . 4678 1 121 . 1 1 10 10 LEU HD22 H 1 0.88 . . . . . . . . . . . 4678 1 122 . 1 1 10 10 LEU HD23 H 1 0.88 . . . . . . . . . . . 4678 1 123 . 1 1 10 10 LEU CD2 C 13 23.05 . . . . . . . . . . . 4678 1 124 . 1 1 10 10 LEU H H 1 8.22 . . . . . . . . . . . 4678 1 125 . 1 1 10 10 LEU N N 15 125.80 . . . . . . . . . . . 4678 1 126 . 1 1 11 11 VAL H H 1 8.12 . . . . . . . . . . . 4678 1 127 . 1 1 11 11 VAL N N 15 125.73 . . . . . . . . . . . 4678 1 128 . 1 1 11 11 VAL HA H 1 4.43 . . . . . . . . . . . 4678 1 129 . 1 1 11 11 VAL CA C 13 59.72 . . . . . . . . . . . 4678 1 130 . 1 1 11 11 VAL HB H 1 2.09 . . . . . . . . . . . 4678 1 131 . 1 1 11 11 VAL CB C 13 32.52 . . . . . . . . . . . 4678 1 132 . 1 1 12 12 PRO HA H 1 4.61 . . . . . . . . . . . 4678 1 133 . 1 1 12 12 PRO CA C 13 62.40 . . . . . . . . . . . 4678 1 134 . 1 1 12 12 PRO HB3 H 1 1.60 . . . . . . . . . . . 4678 1 135 . 1 1 12 12 PRO CB C 13 32.23 . . . . . . . . . . . 4678 1 136 . 1 1 12 12 PRO HB2 H 1 2.00 . . . . . . . . . . . 4678 1 137 . 1 1 12 12 PRO HG3 H 1 2.01 . . . . . . . . . . . 4678 1 138 . 1 1 12 12 PRO CG C 13 27.09 . . . . . . . . . . . 4678 1 139 . 1 1 12 12 PRO HG2 H 1 1.95 . . . . . . . . . . . 4678 1 140 . 1 1 12 12 PRO HD3 H 1 3.88 . . . . . . . . . . . 4678 1 141 . 1 1 12 12 PRO CD C 13 50.68 . . . . . . . . . . . 4678 1 142 . 1 1 12 12 PRO HD2 H 1 3.73 . . . . . . . . . . . 4678 1 143 . 1 1 13 13 GLU HA H 1 4.31 . . . . . . . . . . . 4678 1 144 . 1 1 13 13 GLU CA C 13 55.67 . . . . . . . . . . . 4678 1 145 . 1 1 13 13 GLU HB2 H 1 2.12 . . . . . . . . . . . 4678 1 146 . 1 1 13 13 GLU HB3 H 1 2.12 . . . . . . . . . . . 4678 1 147 . 1 1 13 13 GLU CB C 13 36.24 . . . . . . . . . . . 4678 1 148 . 1 1 13 13 GLU H H 1 8.36 . . . . . . . . . . . 4678 1 149 . 1 1 13 13 GLU N N 15 124.01 . . . . . . . . . . . 4678 1 150 . 1 1 14 14 HIS HA H 1 5.41 . . . . . . . . . . . 4678 1 151 . 1 1 14 14 HIS CA C 13 55.01 . . . . . . . . . . . 4678 1 152 . 1 1 14 14 HIS HB3 H 1 2.70 . . . . . . . . . . . 4678 1 153 . 1 1 14 14 HIS CB C 13 32.07 . . . . . . . . . . . 4678 1 154 . 1 1 14 14 HIS HB2 H 1 2.92 . . . . . . . . . . . 4678 1 155 . 1 1 14 14 HIS HE1 H 1 6.54 . . . . . . . . . . . 4678 1 156 . 1 1 14 14 HIS H H 1 8.06 . . . . . . . . . . . 4678 1 157 . 1 1 14 14 HIS N N 15 123.66 . . . . . . . . . . . 4678 1 158 . 1 1 15 15 VAL HA H 1 4.48 . . . . . . . . . . . 4678 1 159 . 1 1 15 15 VAL CA C 13 60.41 . . . . . . . . . . . 4678 1 160 . 1 1 15 15 VAL HB H 1 2.00 . . . . . . . . . . . 4678 1 161 . 1 1 15 15 VAL CB C 13 36.27 . . . . . . . . . . . 4678 1 162 . 1 1 15 15 VAL HG11 H 1 0.95 . . . . . . . . . . . 4678 1 163 . 1 1 15 15 VAL HG12 H 1 0.95 . . . . . . . . . . . 4678 1 164 . 1 1 15 15 VAL HG13 H 1 0.95 . . . . . . . . . . . 4678 1 165 . 1 1 15 15 VAL CG1 C 13 20.67 . . . . . . . . . . . 4678 1 166 . 1 1 15 15 VAL HG21 H 1 0.92 . . . . . . . . . . . 4678 1 167 . 1 1 15 15 VAL HG22 H 1 0.92 . . . . . . . . . . . 4678 1 168 . 1 1 15 15 VAL HG23 H 1 0.92 . . . . . . . . . . . 4678 1 169 . 1 1 15 15 VAL CG2 C 13 20.67 . . . . . . . . . . . 4678 1 170 . 1 1 15 15 VAL H H 1 9.01 . . . . . . . . . . . 4678 1 171 . 1 1 15 15 VAL N N 15 124.06 . . . . . . . . . . . 4678 1 172 . 1 1 16 16 ILE HA H 1 4.33 . . . . . . . . . . . 4678 1 173 . 1 1 16 16 ILE CA C 13 61.68 . . . . . . . . . . . 4678 1 174 . 1 1 16 16 ILE HB H 1 1.73 . . . . . . . . . . . 4678 1 175 . 1 1 16 16 ILE CB C 13 38.65 . . . . . . . . . . . 4678 1 176 . 1 1 16 16 ILE HG12 H 1 0.80 . . . . . . . . . . . 4678 1 177 . 1 1 16 16 ILE HG13 H 1 0.80 . . . . . . . . . . . 4678 1 178 . 1 1 16 16 ILE CG1 C 13 29.07 . . . . . . . . . . . 4678 1 179 . 1 1 16 16 ILE HG21 H 1 0.92 . . . . . . . . . . . 4678 1 180 . 1 1 16 16 ILE HG22 H 1 0.92 . . . . . . . . . . . 4678 1 181 . 1 1 16 16 ILE HG23 H 1 0.92 . . . . . . . . . . . 4678 1 182 . 1 1 16 16 ILE CG2 C 13 17.27 . . . . . . . . . . . 4678 1 183 . 1 1 16 16 ILE HD11 H 1 0.86 . . . . . . . . . . . 4678 1 184 . 1 1 16 16 ILE HD12 H 1 0.86 . . . . . . . . . . . 4678 1 185 . 1 1 16 16 ILE HD13 H 1 0.86 . . . . . . . . . . . 4678 1 186 . 1 1 16 16 ILE CD1 C 13 13.71 . . . . . . . . . . . 4678 1 187 . 1 1 16 16 ILE H H 1 8.78 . . . . . . . . . . . 4678 1 188 . 1 1 16 16 ILE N N 15 129.02 . . . . . . . . . . . 4678 1 189 . 1 1 17 17 LEU HA H 1 4.47 . . . . . . . . . . . 4678 1 190 . 1 1 17 17 LEU CA C 13 54.77 . . . . . . . . . . . 4678 1 191 . 1 1 17 17 LEU HB3 H 1 1.87 . . . . . . . . . . . 4678 1 192 . 1 1 17 17 LEU CB C 13 42.21 . . . . . . . . . . . 4678 1 193 . 1 1 17 17 LEU HB2 H 1 1.55 . . . . . . . . . . . 4678 1 194 . 1 1 17 17 LEU HG H 1 1.86 . . . . . . . . . . . 4678 1 195 . 1 1 17 17 LEU CG C 13 26.45 . . . . . . . . . . . 4678 1 196 . 1 1 17 17 LEU HD11 H 1 0.93 . . . . . . . . . . . 4678 1 197 . 1 1 17 17 LEU HD12 H 1 0.93 . . . . . . . . . . . 4678 1 198 . 1 1 17 17 LEU HD13 H 1 0.93 . . . . . . . . . . . 4678 1 199 . 1 1 17 17 LEU CD1 C 13 22.81 . . . . . . . . . . . 4678 1 200 . 1 1 17 17 LEU HD21 H 1 0.87 . . . . . . . . . . . 4678 1 201 . 1 1 17 17 LEU HD22 H 1 0.87 . . . . . . . . . . . 4678 1 202 . 1 1 17 17 LEU HD23 H 1 0.87 . . . . . . . . . . . 4678 1 203 . 1 1 17 17 LEU CD2 C 13 26.45 . . . . . . . . . . . 4678 1 204 . 1 1 17 17 LEU H H 1 8.76 . . . . . . . . . . . 4678 1 205 . 1 1 17 17 LEU N N 15 131.49 . . . . . . . . . . . 4678 1 206 . 1 1 18 18 ASN HA H 1 4.73 . . . . . . . . . . . 4678 1 207 . 1 1 18 18 ASN CA C 13 51.79 . . . . . . . . . . . 4678 1 208 . 1 1 18 18 ASN HB3 H 1 3.32 . . . . . . . . . . . 4678 1 209 . 1 1 18 18 ASN CB C 13 38.09 . . . . . . . . . . . 4678 1 210 . 1 1 18 18 ASN HB2 H 1 2.97 . . . . . . . . . . . 4678 1 211 . 1 1 18 18 ASN H H 1 8.87 . . . . . . . . . . . 4678 1 212 . 1 1 18 18 ASN N N 15 123.84 . . . . . . . . . . . 4678 1 213 . 1 1 19 19 GLU HA H 1 4.04 . . . . . . . . . . . 4678 1 214 . 1 1 19 19 GLU CA C 13 60.33 . . . . . . . . . . . 4678 1 215 . 1 1 19 19 GLU HB3 H 1 2.17 . . . . . . . . . . . 4678 1 216 . 1 1 19 19 GLU CB C 13 29.62 . . . . . . . . . . . 4678 1 217 . 1 1 19 19 GLU HB2 H 1 2.06 . . . . . . . . . . . 4678 1 218 . 1 1 19 19 GLU HG3 H 1 2.42 . . . . . . . . . . . 4678 1 219 . 1 1 19 19 GLU CG C 13 36.11 . . . . . . . . . . . 4678 1 220 . 1 1 19 19 GLU HG2 H 1 2.30 . . . . . . . . . . . 4678 1 221 . 1 1 19 19 GLU H H 1 8.62 . . . . . . . . . . . 4678 1 222 . 1 1 19 19 GLU N N 15 121.66 . . . . . . . . . . . 4678 1 223 . 1 1 20 20 SER HA H 1 4.21 . . . . . . . . . . . 4678 1 224 . 1 1 20 20 SER CA C 13 61.52 . . . . . . . . . . . 4678 1 225 . 1 1 20 20 SER HB2 H 1 3.97 . . . . . . . . . . . 4678 1 226 . 1 1 20 20 SER HB3 H 1 3.97 . . . . . . . . . . . 4678 1 227 . 1 1 20 20 SER CB C 13 62.37 . . . . . . . . . . . 4678 1 228 . 1 1 20 20 SER H H 1 8.22 . . . . . . . . . . . 4678 1 229 . 1 1 20 20 SER N N 15 117.27 . . . . . . . . . . . 4678 1 230 . 1 1 21 21 GLU HA H 1 4.16 . . . . . . . . . . . 4678 1 231 . 1 1 21 21 GLU CA C 13 58.50 . . . . . . . . . . . 4678 1 232 . 1 1 21 21 GLU HB3 H 1 1.96 . . . . . . . . . . . 4678 1 233 . 1 1 21 21 GLU CB C 13 30.20 . . . . . . . . . . . 4678 1 234 . 1 1 21 21 GLU HB2 H 1 2.20 . . . . . . . . . . . 4678 1 235 . 1 1 21 21 GLU HG3 H 1 2.47 . . . . . . . . . . . 4678 1 236 . 1 1 21 21 GLU CG C 13 36.35 . . . . . . . . . . . 4678 1 237 . 1 1 21 21 GLU HG2 H 1 2.32 . . . . . . . . . . . 4678 1 238 . 1 1 21 21 GLU H H 1 8.41 . . . . . . . . . . . 4678 1 239 . 1 1 21 21 GLU N N 15 126.85 . . . . . . . . . . . 4678 1 240 . 1 1 22 22 ALA HA H 1 3.82 . . . . . . . . . . . 4678 1 241 . 1 1 22 22 ALA CA C 13 55.24 . . . . . . . . . . . 4678 1 242 . 1 1 22 22 ALA HB1 H 1 1.46 . . . . . . . . . . . 4678 1 243 . 1 1 22 22 ALA HB2 H 1 1.46 . . . . . . . . . . . 4678 1 244 . 1 1 22 22 ALA HB3 H 1 1.46 . . . . . . . . . . . 4678 1 245 . 1 1 22 22 ALA CB C 13 17.80 . . . . . . . . . . . 4678 1 246 . 1 1 22 22 ALA H H 1 8.91 . . . . . . . . . . . 4678 1 247 . 1 1 22 22 ALA N N 15 124.68 . . . . . . . . . . . 4678 1 248 . 1 1 23 23 LYS HA H 1 3.91 . . . . . . . . . . . 4678 1 249 . 1 1 23 23 LYS CA C 13 59.46 . . . . . . . . . . . 4678 1 250 . 1 1 23 23 LYS HB2 H 1 1.97 . . . . . . . . . . . 4678 1 251 . 1 1 23 23 LYS HB3 H 1 1.97 . . . . . . . . . . . 4678 1 252 . 1 1 23 23 LYS CB C 13 32.11 . . . . . . . . . . . 4678 1 253 . 1 1 23 23 LYS HG3 H 1 1.50 . . . . . . . . . . . 4678 1 254 . 1 1 23 23 LYS CG C 13 25.58 . . . . . . . . . . . 4678 1 255 . 1 1 23 23 LYS HG2 H 1 1.72 . . . . . . . . . . . 4678 1 256 . 1 1 23 23 LYS HD2 H 1 1.72 . . . . . . . . . . . 4678 1 257 . 1 1 23 23 LYS HD3 H 1 1.72 . . . . . . . . . . . 4678 1 258 . 1 1 23 23 LYS CD C 13 29.22 . . . . . . . . . . . 4678 1 259 . 1 1 23 23 LYS HE2 H 1 3.00 . . . . . . . . . . . 4678 1 260 . 1 1 23 23 LYS HE3 H 1 3.00 . . . . . . . . . . . 4678 1 261 . 1 1 23 23 LYS CE C 13 42.05 . . . . . . . . . . . 4678 1 262 . 1 1 23 23 LYS H H 1 7.71 . . . . . . . . . . . 4678 1 263 . 1 1 23 23 LYS N N 15 118.23 . . . . . . . . . . . 4678 1 264 . 1 1 24 24 ARG HA H 1 4.03 . . . . . . . . . . . 4678 1 265 . 1 1 24 24 ARG CA C 13 59.70 . . . . . . . . . . . 4678 1 266 . 1 1 24 24 ARG HB3 H 1 2.03 . . . . . . . . . . . 4678 1 267 . 1 1 24 24 ARG CB C 13 30.12 . . . . . . . . . . . 4678 1 268 . 1 1 24 24 ARG HB2 H 1 1.94 . . . . . . . . . . . 4678 1 269 . 1 1 24 24 ARG HG3 H 1 1.76 . . . . . . . . . . . 4678 1 270 . 1 1 24 24 ARG CG C 13 27.17 . . . . . . . . . . . 4678 1 271 . 1 1 24 24 ARG HG2 H 1 1.57 . . . . . . . . . . . 4678 1 272 . 1 1 24 24 ARG HD3 H 1 3.29 . . . . . . . . . . . 4678 1 273 . 1 1 24 24 ARG CD C 13 43.08 . . . . . . . . . . . 4678 1 274 . 1 1 24 24 ARG HD2 H 1 3.19 . . . . . . . . . . . 4678 1 275 . 1 1 24 24 ARG H H 1 7.46 . . . . . . . . . . . 4678 1 276 . 1 1 24 24 ARG N N 15 122.44 . . . . . . . . . . . 4678 1 277 . 1 1 25 25 VAL HA H 1 3.52 . . . . . . . . . . . 4678 1 278 . 1 1 25 25 VAL CA C 13 66.20 . . . . . . . . . . . 4678 1 279 . 1 1 25 25 VAL HB H 1 1.77 . . . . . . . . . . . 4678 1 280 . 1 1 25 25 VAL CB C 13 31.36 . . . . . . . . . . . 4678 1 281 . 1 1 25 25 VAL HG11 H 1 0.73 . . . . . . . . . . . 4678 1 282 . 1 1 25 25 VAL HG12 H 1 0.73 . . . . . . . . . . . 4678 1 283 . 1 1 25 25 VAL HG13 H 1 0.73 . . . . . . . . . . . 4678 1 284 . 1 1 25 25 VAL CG1 C 13 22.73 . . . . . . . . . . . 4678 1 285 . 1 1 25 25 VAL HG21 H 1 0.20 . . . . . . . . . . . 4678 1 286 . 1 1 25 25 VAL HG22 H 1 0.20 . . . . . . . . . . . 4678 1 287 . 1 1 25 25 VAL HG23 H 1 0.20 . . . . . . . . . . . 4678 1 288 . 1 1 25 25 VAL CG2 C 13 19.64 . . . . . . . . . . . 4678 1 289 . 1 1 25 25 VAL H H 1 8.23 . . . . . . . . . . . 4678 1 290 . 1 1 25 25 VAL N N 15 123.83 . . . . . . . . . . . 4678 1 291 . 1 1 26 26 LEU HA H 1 3.81 . . . . . . . . . . . 4678 1 292 . 1 1 26 26 LEU CA C 13 58.19 . . . . . . . . . . . 4678 1 293 . 1 1 26 26 LEU HB2 H 1 1.75 . . . . . . . . . . . 4678 1 294 . 1 1 26 26 LEU HB3 H 1 1.75 . . . . . . . . . . . 4678 1 295 . 1 1 26 26 LEU CG C 13 27.01 . . . . . . . . . . . 4678 1 296 . 1 1 26 26 LEU HG H 1 1.62 . . . . . . . . . . . 4678 1 297 . 1 1 26 26 LEU CB C 13 40.38 . . . . . . . . . . . 4678 1 298 . 1 1 26 26 LEU HD11 H 1 0.81 . . . . . . . . . . . 4678 1 299 . 1 1 26 26 LEU HD12 H 1 0.81 . . . . . . . . . . . 4678 1 300 . 1 1 26 26 LEU HD13 H 1 0.81 . . . . . . . . . . . 4678 1 301 . 1 1 26 26 LEU CD1 C 13 25.34 . . . . . . . . . . . 4678 1 302 . 1 1 26 26 LEU HD21 H 1 0.64 . . . . . . . . . . . 4678 1 303 . 1 1 26 26 LEU HD22 H 1 0.64 . . . . . . . . . . . 4678 1 304 . 1 1 26 26 LEU HD23 H 1 0.64 . . . . . . . . . . . 4678 1 305 . 1 1 26 26 LEU CD2 C 13 22.18 . . . . . . . . . . . 4678 1 306 . 1 1 26 26 LEU H H 1 8.16 . . . . . . . . . . . 4678 1 307 . 1 1 26 26 LEU N N 15 121.66 . . . . . . . . . . . 4678 1 308 . 1 1 27 27 LYS HA H 1 4.20 . . . . . . . . . . . 4678 1 309 . 1 1 27 27 LYS CA C 13 58.58 . . . . . . . . . . . 4678 1 310 . 1 1 27 27 LYS HB2 H 1 1.97 . . . . . . . . . . . 4678 1 311 . 1 1 27 27 LYS HB3 H 1 1.97 . . . . . . . . . . . 4678 1 312 . 1 1 27 27 LYS CB C 13 31.71 . . . . . . . . . . . 4678 1 313 . 1 1 27 27 LYS HG3 H 1 1.47 . . . . . . . . . . . 4678 1 314 . 1 1 27 27 LYS CG C 13 24.63 . . . . . . . . . . . 4678 1 315 . 1 1 27 27 LYS HG2 H 1 1.52 . . . . . . . . . . . 4678 1 316 . 1 1 27 27 LYS HD2 H 1 1.66 . . . . . . . . . . . 4678 1 317 . 1 1 27 27 LYS HD3 H 1 1.66 . . . . . . . . . . . 4678 1 318 . 1 1 27 27 LYS CD C 13 28.99 . . . . . . . . . . . 4678 1 319 . 1 1 27 27 LYS HE2 H 1 3.02 . . . . . . . . . . . 4678 1 320 . 1 1 27 27 LYS HE3 H 1 3.02 . . . . . . . . . . . 4678 1 321 . 1 1 27 27 LYS CE C 13 42.13 . . . . . . . . . . . 4678 1 322 . 1 1 27 27 LYS H H 1 7.51 . . . . . . . . . . . 4678 1 323 . 1 1 27 27 LYS N N 15 121.10 . . . . . . . . . . . 4678 1 324 . 1 1 28 28 GLU HA H 1 4.04 . . . . . . . . . . . 4678 1 325 . 1 1 28 28 GLU CA C 13 58.98 . . . . . . . . . . . 4678 1 326 . 1 1 28 28 GLU HB3 H 1 2.09 . . . . . . . . . . . 4678 1 327 . 1 1 28 28 GLU CB C 13 29.54 . . . . . . . . . . . 4678 1 328 . 1 1 28 28 GLU HB2 H 1 2.17 . . . . . . . . . . . 4678 1 329 . 1 1 28 28 GLU HG3 H 1 2.26 . . . . . . . . . . . 4678 1 330 . 1 1 28 28 GLU CG C 13 36.27 . . . . . . . . . . . 4678 1 331 . 1 1 28 28 GLU HG2 H 1 2.45 . . . . . . . . . . . 4678 1 332 . 1 1 28 28 GLU H H 1 8.06 . . . . . . . . . . . 4678 1 333 . 1 1 28 28 GLU N N 15 123.66 . . . . . . . . . . . 4678 1 334 . 1 1 29 29 LEU HA H 1 4.22 . . . . . . . . . . . 4678 1 335 . 1 1 29 29 LEU CA C 13 55.11 . . . . . . . . . . . 4678 1 336 . 1 1 29 29 LEU HB3 H 1 1.63 . . . . . . . . . . . 4678 1 337 . 1 1 29 29 LEU CB C 13 42.13 . . . . . . . . . . . 4678 1 338 . 1 1 29 29 LEU HB2 H 1 1.55 . . . . . . . . . . . 4678 1 339 . 1 1 29 29 LEU HG H 1 1.79 . . . . . . . . . . . 4678 1 340 . 1 1 29 29 LEU CG C 13 25.66 . . . . . . . . . . . 4678 1 341 . 1 1 29 29 LEU HD11 H 1 0.86 . . . . . . . . . . . 4678 1 342 . 1 1 29 29 LEU HD12 H 1 0.86 . . . . . . . . . . . 4678 1 343 . 1 1 29 29 LEU HD13 H 1 0.86 . . . . . . . . . . . 4678 1 344 . 1 1 29 29 LEU CD1 C 13 22.18 . . . . . . . . . . . 4678 1 345 . 1 1 29 29 LEU HD21 H 1 0.69 . . . . . . . . . . . 4678 1 346 . 1 1 29 29 LEU HD22 H 1 0.69 . . . . . . . . . . . 4678 1 347 . 1 1 29 29 LEU HD23 H 1 0.69 . . . . . . . . . . . 4678 1 348 . 1 1 29 29 LEU CD2 C 13 25.66 . . . . . . . . . . . 4678 1 349 . 1 1 29 29 LEU H H 1 8.07 . . . . . . . . . . . 4678 1 350 . 1 1 29 29 LEU N N 15 120.27 . . . . . . . . . . . 4678 1 351 . 1 1 30 30 ASP HA H 1 4.26 . . . . . . . . . . . 4678 1 352 . 1 1 30 30 ASP CA C 13 55.16 . . . . . . . . . . . 4678 1 353 . 1 1 30 30 ASP HB3 H 1 2.52 . . . . . . . . . . . 4678 1 354 . 1 1 30 30 ASP CB C 13 40.06 . . . . . . . . . . . 4678 1 355 . 1 1 30 30 ASP HB2 H 1 3.03 . . . . . . . . . . . 4678 1 356 . 1 1 30 30 ASP H H 1 7.83 . . . . . . . . . . . 4678 1 357 . 1 1 30 30 ASP N N 15 123.74 . . . . . . . . . . . 4678 1 358 . 1 1 31 31 ALA HA H 1 4.62 . . . . . . . . . . . 4678 1 359 . 1 1 31 31 ALA CA C 13 51.03 . . . . . . . . . . . 4678 1 360 . 1 1 31 31 ALA HB1 H 1 1.18 . . . . . . . . . . . 4678 1 361 . 1 1 31 31 ALA HB2 H 1 1.18 . . . . . . . . . . . 4678 1 362 . 1 1 31 31 ALA HB3 H 1 1.18 . . . . . . . . . . . 4678 1 363 . 1 1 31 31 ALA CB C 13 21.30 . . . . . . . . . . . 4678 1 364 . 1 1 31 31 ALA H H 1 7.91 . . . . . . . . . . . 4678 1 365 . 1 1 31 31 ALA N N 15 121.41 . . . . . . . . . . . 4678 1 366 . 1 1 32 32 HIS HA H 1 5.02 . . . . . . . . . . . 4678 1 367 . 1 1 32 32 HIS CA C 13 53.42 . . . . . . . . . . . 4678 1 368 . 1 1 32 32 HIS HB3 H 1 2.96 . . . . . . . . . . . 4678 1 369 . 1 1 32 32 HIS CB C 13 30.20 . . . . . . . . . . . 4678 1 370 . 1 1 32 32 HIS HB2 H 1 3.24 . . . . . . . . . . . 4678 1 371 . 1 1 32 32 HIS HE1 H 1 7.16 . . . . . . . . . . . 4678 1 372 . 1 1 32 32 HIS H H 1 7.94 . . . . . . . . . . . 4678 1 373 . 1 1 32 32 HIS N N 15 121.06 . . . . . . . . . . . 4678 1 374 . 1 1 33 33 PRO HA H 1 4.09 . . . . . . . . . . . 4678 1 375 . 1 1 33 33 PRO CA C 13 65.72 . . . . . . . . . . . 4678 1 376 . 1 1 33 33 PRO HB3 H 1 2.03 . . . . . . . . . . . 4678 1 377 . 1 1 33 33 PRO CB C 13 31.68 . . . . . . . . . . . 4678 1 378 . 1 1 33 33 PRO HB2 H 1 2.32 . . . . . . . . . . . 4678 1 379 . 1 1 33 33 PRO HG2 H 1 2.16 . . . . . . . . . . . 4678 1 380 . 1 1 33 33 PRO HG3 H 1 2.16 . . . . . . . . . . . 4678 1 381 . 1 1 33 33 PRO CG C 13 27.48 . . . . . . . . . . . 4678 1 382 . 1 1 33 33 PRO HD3 H 1 3.58 . . . . . . . . . . . 4678 1 383 . 1 1 33 33 PRO CD C 13 49.97 . . . . . . . . . . . 4678 1 384 . 1 1 33 33 PRO HD2 H 1 3.68 . . . . . . . . . . . 4678 1 385 . 1 1 34 34 GLU HA H 1 4.13 . . . . . . . . . . . 4678 1 386 . 1 1 34 34 GLU CA C 13 58.27 . . . . . . . . . . . 4678 1 387 . 1 1 34 34 GLU HB2 H 1 2.07 . . . . . . . . . . . 4678 1 388 . 1 1 34 34 GLU HB3 H 1 2.07 . . . . . . . . . . . 4678 1 389 . 1 1 34 34 GLU CB C 13 28.04 . . . . . . . . . . . 4678 1 390 . 1 1 34 34 GLU HG3 H 1 2.33 . . . . . . . . . . . 4678 1 391 . 1 1 34 34 GLU CG C 13 36.27 . . . . . . . . . . . 4678 1 392 . 1 1 34 34 GLU HG2 H 1 2.40 . . . . . . . . . . . 4678 1 393 . 1 1 34 34 GLU H H 1 9.41 . . . . . . . . . . . 4678 1 394 . 1 1 34 34 GLU N N 15 117.85 . . . . . . . . . . . 4678 1 395 . 1 1 35 35 GLN HA H 1 4.35 . . . . . . . . . . . 4678 1 396 . 1 1 35 35 GLN CA C 13 56.06 . . . . . . . . . . . 4678 1 397 . 1 1 35 35 GLN HB2 H 1 2.26 . . . . . . . . . . . 4678 1 398 . 1 1 35 35 GLN HB3 H 1 2.26 . . . . . . . . . . . 4678 1 399 . 1 1 35 35 GLN CB C 13 29.70 . . . . . . . . . . . 4678 1 400 . 1 1 35 35 GLN HG2 H 1 2.48 . . . . . . . . . . . 4678 1 401 . 1 1 35 35 GLN HG3 H 1 2.48 . . . . . . . . . . . 4678 1 402 . 1 1 35 35 GLN CG C 13 34.92 . . . . . . . . . . . 4678 1 403 . 1 1 35 35 GLN H H 1 8.13 . . . . . . . . . . . 4678 1 404 . 1 1 35 35 GLN N N 15 120.61 . . . . . . . . . . . 4678 1 405 . 1 1 36 36 LEU HA H 1 4.61 . . . . . . . . . . . 4678 1 406 . 1 1 36 36 LEU CA C 13 53.02 . . . . . . . . . . . 4678 1 407 . 1 1 36 36 LEU HB3 H 1 1.62 . . . . . . . . . . . 4678 1 408 . 1 1 36 36 LEU CB C 13 41.33 . . . . . . . . . . . 4678 1 409 . 1 1 36 36 LEU HB2 H 1 1.75 . . . . . . . . . . . 4678 1 410 . 1 1 36 36 LEU HD11 H 1 0.77 . . . . . . . . . . . 4678 1 411 . 1 1 36 36 LEU HD12 H 1 0.77 . . . . . . . . . . . 4678 1 412 . 1 1 36 36 LEU HD13 H 1 0.77 . . . . . . . . . . . 4678 1 413 . 1 1 36 36 LEU CD1 C 13 27.45 . . . . . . . . . . . 4678 1 414 . 1 1 36 36 LEU HD21 H 1 0.95 . . . . . . . . . . . 4678 1 415 . 1 1 36 36 LEU HD22 H 1 0.95 . . . . . . . . . . . 4678 1 416 . 1 1 36 36 LEU HD23 H 1 0.95 . . . . . . . . . . . 4678 1 417 . 1 1 36 36 LEU CD2 C 13 24.96 . . . . . . . . . . . 4678 1 418 . 1 1 36 36 LEU H H 1 7.64 . . . . . . . . . . . 4678 1 419 . 1 1 36 36 LEU N N 15 124.58 . . . . . . . . . . . 4678 1 420 . 1 1 37 37 PRO HA H 1 4.60 . . . . . . . . . . . 4678 1 421 . 1 1 37 37 PRO CA C 13 62.40 . . . . . . . . . . . 4678 1 422 . 1 1 37 37 PRO HB3 H 1 1.78 . . . . . . . . . . . 4678 1 423 . 1 1 37 37 PRO CB C 13 30.97 . . . . . . . . . . . 4678 1 424 . 1 1 37 37 PRO HB2 H 1 2.47 . . . . . . . . . . . 4678 1 425 . 1 1 37 37 PRO HG3 H 1 2.17 . . . . . . . . . . . 4678 1 426 . 1 1 37 37 PRO CG C 13 27.88 . . . . . . . . . . . 4678 1 427 . 1 1 37 37 PRO HG2 H 1 2.09 . . . . . . . . . . . 4678 1 428 . 1 1 37 37 PRO HD3 H 1 3.78 . . . . . . . . . . . 4678 1 429 . 1 1 37 37 PRO CD C 13 49.89 . . . . . . . . . . . 4678 1 430 . 1 1 37 37 PRO HD2 H 1 3.93 . . . . . . . . . . . 4678 1 431 . 1 1 38 38 LYS HA H 1 5.62 . . . . . . . . . . . 4678 1 432 . 1 1 38 38 LYS CA C 13 54.64 . . . . . . . . . . . 4678 1 433 . 1 1 38 38 LYS HB3 H 1 1.72 . . . . . . . . . . . 4678 1 434 . 1 1 38 38 LYS CB C 13 34.77 . . . . . . . . . . . 4678 1 435 . 1 1 38 38 LYS HB2 H 1 1.81 . . . . . . . . . . . 4678 1 436 . 1 1 38 38 LYS HG3 H 1 1.47 . . . . . . . . . . . 4678 1 437 . 1 1 38 38 LYS CG C 13 25.27 . . . . . . . . . . . 4678 1 438 . 1 1 38 38 LYS HG2 H 1 1.55 . . . . . . . . . . . 4678 1 439 . 1 1 38 38 LYS HD2 H 1 1.55 . . . . . . . . . . . 4678 1 440 . 1 1 38 38 LYS HD3 H 1 1.55 . . . . . . . . . . . 4678 1 441 . 1 1 38 38 LYS CD C 13 28.83 . . . . . . . . . . . 4678 1 442 . 1 1 38 38 LYS HE2 H 1 3.02 . . . . . . . . . . . 4678 1 443 . 1 1 38 38 LYS HE3 H 1 3.02 . . . . . . . . . . . 4678 1 444 . 1 1 38 38 LYS CE C 13 42.21 . . . . . . . . . . . 4678 1 445 . 1 1 38 38 LYS H H 1 8.32 . . . . . . . . . . . 4678 1 446 . 1 1 38 38 LYS N N 15 121.61 . . . . . . . . . . . 4678 1 447 . 1 1 39 39 ILE HA H 1 4.56 . . . . . . . . . . . 4678 1 448 . 1 1 39 39 ILE CA C 13 59.55 . . . . . . . . . . . 4678 1 449 . 1 1 39 39 ILE HB H 1 1.68 . . . . . . . . . . . 4678 1 450 . 1 1 39 39 ILE CB C 13 41.65 . . . . . . . . . . . 4678 1 451 . 1 1 39 39 ILE HG12 H 1 1.48 . . . . . . . . . . . 4678 1 452 . 1 1 39 39 ILE HG13 H 1 1.48 . . . . . . . . . . . 4678 1 453 . 1 1 39 39 ILE CG1 C 13 26.61 . . . . . . . . . . . 4678 1 454 . 1 1 39 39 ILE HG21 H 1 0.81 . . . . . . . . . . . 4678 1 455 . 1 1 39 39 ILE HG22 H 1 0.81 . . . . . . . . . . . 4678 1 456 . 1 1 39 39 ILE HG23 H 1 0.81 . . . . . . . . . . . 4678 1 457 . 1 1 39 39 ILE CG2 C 13 17.35 . . . . . . . . . . . 4678 1 458 . 1 1 39 39 ILE HD11 H 1 0.66 . . . . . . . . . . . 4678 1 459 . 1 1 39 39 ILE HD12 H 1 0.66 . . . . . . . . . . . 4678 1 460 . 1 1 39 39 ILE HD13 H 1 0.66 . . . . . . . . . . . 4678 1 461 . 1 1 39 39 ILE CD1 C 13 13.07 . . . . . . . . . . . 4678 1 462 . 1 1 39 39 ILE H H 1 8.80 . . . . . . . . . . . 4678 1 463 . 1 1 39 39 ILE N N 15 122.73 . . . . . . . . . . . 4678 1 464 . 1 1 40 40 LYS H H 1 8.55 . . . . . . . . . . . 4678 1 465 . 1 1 40 40 LYS N N 15 125.84 . . . . . . . . . . . 4678 1 466 . 1 1 40 40 LYS HA H 1 4.93 . . . . . . . . . . . 4678 1 467 . 1 1 40 40 LYS CA C 13 55.48 . . . . . . . . . . . 4678 1 468 . 1 1 40 40 LYS HB3 H 1 1.98 . . . . . . . . . . . 4678 1 469 . 1 1 40 40 LYS CB C 13 34.13 . . . . . . . . . . . 4678 1 470 . 1 1 40 40 LYS HB2 H 1 1.74 . . . . . . . . . . . 4678 1 471 . 1 1 40 40 LYS HG2 H 1 1.63 . . . . . . . . . . . 4678 1 472 . 1 1 40 40 LYS HG3 H 1 1.63 . . . . . . . . . . . 4678 1 473 . 1 1 40 40 LYS CG C 13 25.42 . . . . . . . . . . . 4678 1 474 . 1 1 40 40 LYS HD2 H 1 1.75 . . . . . . . . . . . 4678 1 475 . 1 1 40 40 LYS HD3 H 1 1.75 . . . . . . . . . . . 4678 1 476 . 1 1 40 40 LYS CD C 13 28.99 . . . . . . . . . . . 4678 1 477 . 1 1 40 40 LYS HE2 H 1 3.04 . . . . . . . . . . . 4678 1 478 . 1 1 40 40 LYS HE3 H 1 3.04 . . . . . . . . . . . 4678 1 479 . 1 1 40 40 LYS CE C 13 41.97 . . . . . . . . . . . 4678 1 480 . 1 1 41 41 THR HA H 1 3.50 . . . . . . . . . . . 4678 1 481 . 1 1 41 41 THR CA C 13 64.94 . . . . . . . . . . . 4678 1 482 . 1 1 41 41 THR HB H 1 4.18 . . . . . . . . . . . 4678 1 483 . 1 1 41 41 THR CB C 13 68.92 . . . . . . . . . . . 4678 1 484 . 1 1 41 41 THR HG21 H 1 1.20 . . . . . . . . . . . 4678 1 485 . 1 1 41 41 THR HG22 H 1 1.20 . . . . . . . . . . . 4678 1 486 . 1 1 41 41 THR HG23 H 1 1.20 . . . . . . . . . . . 4678 1 487 . 1 1 41 41 THR CG2 C 13 22.81 . . . . . . . . . . . 4678 1 488 . 1 1 41 41 THR H H 1 8.88 . . . . . . . . . . . 4678 1 489 . 1 1 41 41 THR N N 15 115.77 . . . . . . . . . . . 4678 1 490 . 1 1 42 42 THR HA H 1 4.05 . . . . . . . . . . . 4678 1 491 . 1 1 42 42 THR CA C 13 60.73 . . . . . . . . . . . 4678 1 492 . 1 1 42 42 THR HB H 1 4.54 . . . . . . . . . . . 4678 1 493 . 1 1 42 42 THR CB C 13 68.92 . . . . . . . . . . . 4678 1 494 . 1 1 42 42 THR HG21 H 1 1.21 . . . . . . . . . . . 4678 1 495 . 1 1 42 42 THR HG22 H 1 1.21 . . . . . . . . . . . 4678 1 496 . 1 1 42 42 THR HG23 H 1 1.21 . . . . . . . . . . . 4678 1 497 . 1 1 42 42 THR CG2 C 13 21.94 . . . . . . . . . . . 4678 1 498 . 1 1 42 42 THR H H 1 6.82 . . . . . . . . . . . 4678 1 499 . 1 1 42 42 THR N N 15 128.70 . . . . . . . . . . . 4678 1 500 . 1 1 43 43 ASP HA H 1 4.71 . . . . . . . . . . . 4678 1 501 . 1 1 43 43 ASP CA C 13 53.34 . . . . . . . . . . . 4678 1 502 . 1 1 43 43 ASP HB3 H 1 2.73 . . . . . . . . . . . 4678 1 503 . 1 1 43 43 ASP CB C 13 43.00 . . . . . . . . . . . 4678 1 504 . 1 1 43 43 ASP HB2 H 1 2.88 . . . . . . . . . . . 4678 1 505 . 1 1 43 43 ASP H H 1 7.65 . . . . . . . . . . . 4678 1 506 . 1 1 43 43 ASP N N 15 128.93 . . . . . . . . . . . 4678 1 507 . 1 1 44 44 PRO HA H 1 4.16 . . . . . . . . . . . 4678 1 508 . 1 1 44 44 PRO CA C 13 65.82 . . . . . . . . . . . 4678 1 509 . 1 1 44 44 PRO HB3 H 1 2.43 . . . . . . . . . . . 4678 1 510 . 1 1 44 44 PRO CB C 13 32.31 . . . . . . . . . . . 4678 1 511 . 1 1 44 44 PRO HB2 H 1 1.98 . . . . . . . . . . . 4678 1 512 . 1 1 44 44 PRO HG3 H 1 2.04 . . . . . . . . . . . 4678 1 513 . 1 1 44 44 PRO CG C 13 27.48 . . . . . . . . . . . 4678 1 514 . 1 1 44 44 PRO HG2 H 1 2.17 . . . . . . . . . . . 4678 1 515 . 1 1 44 44 PRO HD3 H 1 3.80 . . . . . . . . . . . 4678 1 516 . 1 1 44 44 PRO CD C 13 50.60 . . . . . . . . . . . 4678 1 517 . 1 1 44 44 PRO HD2 H 1 3.98 . . . . . . . . . . . 4678 1 518 . 1 1 45 45 VAL HA H 1 3.57 . . . . . . . . . . . 4678 1 519 . 1 1 45 45 VAL CA C 13 65.82 . . . . . . . . . . . 4678 1 520 . 1 1 45 45 VAL HB H 1 1.73 . . . . . . . . . . . 4678 1 521 . 1 1 45 45 VAL CB C 13 31.23 . . . . . . . . . . . 4678 1 522 . 1 1 45 45 VAL HG11 H 1 0.77 . . . . . . . . . . . 4678 1 523 . 1 1 45 45 VAL HG12 H 1 0.77 . . . . . . . . . . . 4678 1 524 . 1 1 45 45 VAL HG13 H 1 0.77 . . . . . . . . . . . 4678 1 525 . 1 1 45 45 VAL CG1 C 13 22.26 . . . . . . . . . . . 4678 1 526 . 1 1 45 45 VAL HG21 H 1 0.36 . . . . . . . . . . . 4678 1 527 . 1 1 45 45 VAL HG22 H 1 0.36 . . . . . . . . . . . 4678 1 528 . 1 1 45 45 VAL HG23 H 1 0.36 . . . . . . . . . . . 4678 1 529 . 1 1 45 45 VAL CG2 C 13 19.88 . . . . . . . . . . . 4678 1 530 . 1 1 45 45 VAL H H 1 8.91 . . . . . . . . . . . 4678 1 531 . 1 1 45 45 VAL N N 15 120.86 . . . . . . . . . . . 4678 1 532 . 1 1 46 46 ALA HA H 1 3.77 . . . . . . . . . . . 4678 1 533 . 1 1 46 46 ALA CA C 13 54.85 . . . . . . . . . . . 4678 1 534 . 1 1 46 46 ALA HB1 H 1 1.42 . . . . . . . . . . . 4678 1 535 . 1 1 46 46 ALA HB2 H 1 1.42 . . . . . . . . . . . 4678 1 536 . 1 1 46 46 ALA HB3 H 1 1.42 . . . . . . . . . . . 4678 1 537 . 1 1 46 46 ALA CB C 13 18.35 . . . . . . . . . . . 4678 1 538 . 1 1 46 46 ALA H H 1 6.78 . . . . . . . . . . . 4678 1 539 . 1 1 46 46 ALA N N 15 122.82 . . . . . . . . . . . 4678 1 540 . 1 1 47 47 LYS HA H 1 4.11 . . . . . . . . . . . 4678 1 541 . 1 1 47 47 LYS CA C 13 58.42 . . . . . . . . . . . 4678 1 542 . 1 1 47 47 LYS HB2 H 1 2.01 . . . . . . . . . . . 4678 1 543 . 1 1 47 47 LYS HB3 H 1 2.01 . . . . . . . . . . . 4678 1 544 . 1 1 47 47 LYS CB C 13 32.19 . . . . . . . . . . . 4678 1 545 . 1 1 47 47 LYS HG2 H 1 1.73 . . . . . . . . . . . 4678 1 546 . 1 1 47 47 LYS HG3 H 1 1.73 . . . . . . . . . . . 4678 1 547 . 1 1 47 47 LYS CG C 13 29.07 . . . . . . . . . . . 4678 1 548 . 1 1 47 47 LYS HD2 H 1 1.46 . . . . . . . . . . . 4678 1 549 . 1 1 47 47 LYS HD3 H 1 1.46 . . . . . . . . . . . 4678 1 550 . 1 1 47 47 LYS CD C 13 24.47 . . . . . . . . . . . 4678 1 551 . 1 1 47 47 LYS HE2 H 1 3.01 . . . . . . . . . . . 4678 1 552 . 1 1 47 47 LYS HE3 H 1 3.01 . . . . . . . . . . . 4678 1 553 . 1 1 47 47 LYS CE C 13 41.50 . . . . . . . . . . . 4678 1 554 . 1 1 47 47 LYS H H 1 8.16 . . . . . . . . . . . 4678 1 555 . 1 1 47 47 LYS N N 15 119.37 . . . . . . . . . . . 4678 1 556 . 1 1 48 48 ALA HA H 1 4.14 . . . . . . . . . . . 4678 1 557 . 1 1 48 48 ALA CA C 13 54.85 . . . . . . . . . . . 4678 1 558 . 1 1 48 48 ALA HB1 H 1 1.53 . . . . . . . . . . . 4678 1 559 . 1 1 48 48 ALA HB2 H 1 1.53 . . . . . . . . . . . 4678 1 560 . 1 1 48 48 ALA HB3 H 1 1.53 . . . . . . . . . . . 4678 1 561 . 1 1 48 48 ALA CB C 13 18.43 . . . . . . . . . . . 4678 1 562 . 1 1 48 48 ALA H H 1 7.83 . . . . . . . . . . . 4678 1 563 . 1 1 48 48 ALA N N 15 123.46 . . . . . . . . . . . 4678 1 564 . 1 1 49 49 ILE HA H 1 4.60 . . . . . . . . . . . 4678 1 565 . 1 1 49 49 ILE CA C 13 60.25 . . . . . . . . . . . 4678 1 566 . 1 1 49 49 ILE HB H 1 2.26 . . . . . . . . . . . 4678 1 567 . 1 1 49 49 ILE CB C 13 38.47 . . . . . . . . . . . 4678 1 568 . 1 1 49 49 ILE HG12 H 1 1.31 . . . . . . . . . . . 4678 1 569 . 1 1 49 49 ILE HG13 H 1 1.31 . . . . . . . . . . . 4678 1 570 . 1 1 49 49 ILE CG1 C 13 24.79 . . . . . . . . . . . 4678 1 571 . 1 1 49 49 ILE HG21 H 1 0.93 . . . . . . . . . . . 4678 1 572 . 1 1 49 49 ILE HG22 H 1 0.93 . . . . . . . . . . . 4678 1 573 . 1 1 49 49 ILE HG23 H 1 0.93 . . . . . . . . . . . 4678 1 574 . 1 1 49 49 ILE CG2 C 13 17.03 . . . . . . . . . . . 4678 1 575 . 1 1 49 49 ILE HD11 H 1 0.68 . . . . . . . . . . . 4678 1 576 . 1 1 49 49 ILE HD12 H 1 0.68 . . . . . . . . . . . 4678 1 577 . 1 1 49 49 ILE HD13 H 1 0.68 . . . . . . . . . . . 4678 1 578 . 1 1 49 49 ILE CD1 C 13 14.42 . . . . . . . . . . . 4678 1 579 . 1 1 49 49 ILE H H 1 7.22 . . . . . . . . . . . 4678 1 580 . 1 1 49 49 ILE N N 15 131.95 . . . . . . . . . . . 4678 1 581 . 1 1 50 50 GLY HA3 H 1 3.96 . . . . . . . . . . . 4678 1 582 . 1 1 50 50 GLY CA C 13 46.26 . . . . . . . . . . . 4678 1 583 . 1 1 50 50 GLY HA2 H 1 3.87 . . . . . . . . . . . 4678 1 584 . 1 1 50 50 GLY H H 1 7.61 . . . . . . . . . . . 4678 1 585 . 1 1 50 50 GLY N N 15 113.68 . . . . . . . . . . . 4678 1 586 . 1 1 51 51 ALA HA H 1 4.41 . . . . . . . . . . . 4678 1 587 . 1 1 51 51 ALA CA C 13 51.90 . . . . . . . . . . . 4678 1 588 . 1 1 51 51 ALA HB1 H 1 1.28 . . . . . . . . . . . 4678 1 589 . 1 1 51 51 ALA HB2 H 1 1.28 . . . . . . . . . . . 4678 1 590 . 1 1 51 51 ALA HB3 H 1 1.28 . . . . . . . . . . . 4678 1 591 . 1 1 51 51 ALA CB C 13 20.02 . . . . . . . . . . . 4678 1 592 . 1 1 51 51 ALA H H 1 8.02 . . . . . . . . . . . 4678 1 593 . 1 1 51 51 ALA N N 15 124.65 . . . . . . . . . . . 4678 1 594 . 1 1 52 52 LYS HA H 1 4.59 . . . . . . . . . . . 4678 1 595 . 1 1 52 52 LYS CA C 13 53.49 . . . . . . . . . . . 4678 1 596 . 1 1 52 52 LYS HB2 H 1 1.77 . . . . . . . . . . . 4678 1 597 . 1 1 52 52 LYS HB3 H 1 1.77 . . . . . . . . . . . 4678 1 598 . 1 1 52 52 LYS CB C 13 35.45 . . . . . . . . . . . 4678 1 599 . 1 1 52 52 LYS HG3 H 1 1.52 . . . . . . . . . . . 4678 1 600 . 1 1 52 52 LYS CG C 13 23.60 . . . . . . . . . . . 4678 1 601 . 1 1 52 52 LYS HG2 H 1 1.36 . . . . . . . . . . . 4678 1 602 . 1 1 52 52 LYS HD2 H 1 1.69 . . . . . . . . . . . 4678 1 603 . 1 1 52 52 LYS HD3 H 1 1.69 . . . . . . . . . . . 4678 1 604 . 1 1 52 52 LYS CD C 13 28.83 . . . . . . . . . . . 4678 1 605 . 1 1 52 52 LYS HE2 H 1 3.07 . . . . . . . . . . . 4678 1 606 . 1 1 52 52 LYS HE3 H 1 3.07 . . . . . . . . . . . 4678 1 607 . 1 1 52 52 LYS CE C 13 42.05 . . . . . . . . . . . 4678 1 608 . 1 1 52 52 LYS H H 1 9.34 . . . . . . . . . . . 4678 1 609 . 1 1 52 52 LYS N N 15 124.69 . . . . . . . . . . . 4678 1 610 . 1 1 53 53 ARG HA H 1 3.64 . . . . . . . . . . . 4678 1 611 . 1 1 53 53 ARG CA C 13 57.95 . . . . . . . . . . . 4678 1 612 . 1 1 53 53 ARG HB2 H 1 1.83 . . . . . . . . . . . 4678 1 613 . 1 1 53 53 ARG HB3 H 1 1.83 . . . . . . . . . . . 4678 1 614 . 1 1 53 53 ARG CB C 13 29.40 . . . . . . . . . . . 4678 1 615 . 1 1 53 53 ARG HG3 H 1 1.59 . . . . . . . . . . . 4678 1 616 . 1 1 53 53 ARG CG C 13 26.77 . . . . . . . . . . . 4678 1 617 . 1 1 53 53 ARG HG2 H 1 1.72 . . . . . . . . . . . 4678 1 618 . 1 1 53 53 ARG HD2 H 1 3.29 . . . . . . . . . . . 4678 1 619 . 1 1 53 53 ARG HD3 H 1 3.29 . . . . . . . . . . . 4678 1 620 . 1 1 53 53 ARG CD C 13 43.40 . . . . . . . . . . . 4678 1 621 . 1 1 53 53 ARG H H 1 8.38 . . . . . . . . . . . 4678 1 622 . 1 1 53 53 ARG N N 15 121.98 . . . . . . . . . . . 4678 1 623 . 1 1 54 54 GLY HA3 H 1 4.46 . . . . . . . . . . . 4678 1 624 . 1 1 54 54 GLY CA C 13 44.67 . . . . . . . . . . . 4678 1 625 . 1 1 54 54 GLY HA2 H 1 3.56 . . . . . . . . . . . 4678 1 626 . 1 1 54 54 GLY H H 1 9.20 . . . . . . . . . . . 4678 1 627 . 1 1 54 54 GLY N N 15 118.50 . . . . . . . . . . . 4678 1 628 . 1 1 55 55 ASP HA H 1 4.65 . . . . . . . . . . . 4678 1 629 . 1 1 55 55 ASP CA C 13 55.09 . . . . . . . . . . . 4678 1 630 . 1 1 55 55 ASP HB3 H 1 2.44 . . . . . . . . . . . 4678 1 631 . 1 1 55 55 ASP CB C 13 41.41 . . . . . . . . . . . 4678 1 632 . 1 1 55 55 ASP HB2 H 1 2.90 . . . . . . . . . . . 4678 1 633 . 1 1 55 55 ASP H H 1 8.24 . . . . . . . . . . . 4678 1 634 . 1 1 55 55 ASP N N 15 124.18 . . . . . . . . . . . 4678 1 635 . 1 1 56 56 ILE HA H 1 4.97 . . . . . . . . . . . 4678 1 636 . 1 1 56 56 ILE CA C 13 59.62 . . . . . . . . . . . 4678 1 637 . 1 1 56 56 ILE HB H 1 1.67 . . . . . . . . . . . 4678 1 638 . 1 1 56 56 ILE CB C 13 28.27 . . . . . . . . . . . 4678 1 639 . 1 1 56 56 ILE HG13 H 1 1.73 . . . . . . . . . . . 4678 1 640 . 1 1 56 56 ILE CG1 C 13 38.39 . . . . . . . . . . . 4678 1 641 . 1 1 56 56 ILE HG12 H 1 1.11 . . . . . . . . . . . 4678 1 642 . 1 1 56 56 ILE HD11 H 1 0.82 . . . . . . . . . . . 4678 1 643 . 1 1 56 56 ILE HD12 H 1 0.82 . . . . . . . . . . . 4678 1 644 . 1 1 56 56 ILE HD13 H 1 0.82 . . . . . . . . . . . 4678 1 645 . 1 1 56 56 ILE CD1 C 13 13.07 . . . . . . . . . . . 4678 1 646 . 1 1 56 56 ILE HG21 H 1 0.84 . . . . . . . . . . . 4678 1 647 . 1 1 56 56 ILE HG22 H 1 0.84 . . . . . . . . . . . 4678 1 648 . 1 1 56 56 ILE HG23 H 1 0.84 . . . . . . . . . . . 4678 1 649 . 1 1 56 56 ILE CG2 C 13 18.06 . . . . . . . . . . . 4678 1 650 . 1 1 56 56 ILE H H 1 8.97 . . . . . . . . . . . 4678 1 651 . 1 1 56 56 ILE N N 15 122.59 . . . . . . . . . . . 4678 1 652 . 1 1 57 57 VAL HA H 1 4.66 . . . . . . . . . . . 4678 1 653 . 1 1 57 57 VAL CA C 13 59.70 . . . . . . . . . . . 4678 1 654 . 1 1 57 57 VAL HB H 1 1.72 . . . . . . . . . . . 4678 1 655 . 1 1 57 57 VAL CB C 13 34.49 . . . . . . . . . . . 4678 1 656 . 1 1 57 57 VAL HG11 H 1 0.72 . . . . . . . . . . . 4678 1 657 . 1 1 57 57 VAL HG12 H 1 0.72 . . . . . . . . . . . 4678 1 658 . 1 1 57 57 VAL HG13 H 1 0.72 . . . . . . . . . . . 4678 1 659 . 1 1 57 57 VAL CG1 C 13 21.62 . . . . . . . . . . . 4678 1 660 . 1 1 57 57 VAL HG21 H 1 0.72 . . . . . . . . . . . 4678 1 661 . 1 1 57 57 VAL HG22 H 1 0.72 . . . . . . . . . . . 4678 1 662 . 1 1 57 57 VAL HG23 H 1 0.72 . . . . . . . . . . . 4678 1 663 . 1 1 57 57 VAL CG2 C 13 21.62 . . . . . . . . . . . 4678 1 664 . 1 1 57 57 VAL H H 1 9.16 . . . . . . . . . . . 4678 1 665 . 1 1 57 57 VAL N N 15 128.94 . . . . . . . . . . . 4678 1 666 . 1 1 58 58 LYS HA H 1 4.66 . . . . . . . . . . . 4678 1 667 . 1 1 58 58 LYS CA C 13 54.48 . . . . . . . . . . . 4678 1 668 . 1 1 58 58 LYS HB3 H 1 1.54 . . . . . . . . . . . 4678 1 669 . 1 1 58 58 LYS CB C 13 35.48 . . . . . . . . . . . 4678 1 670 . 1 1 58 58 LYS HB2 H 1 1.91 . . . . . . . . . . . 4678 1 671 . 1 1 58 58 LYS HG2 H 1 0.94 . . . . . . . . . . . 4678 1 672 . 1 1 58 58 LYS HG3 H 1 0.94 . . . . . . . . . . . 4678 1 673 . 1 1 58 58 LYS CG C 13 24.79 . . . . . . . . . . . 4678 1 674 . 1 1 58 58 LYS HD3 H 1 1.62 . . . . . . . . . . . 4678 1 675 . 1 1 58 58 LYS CD C 13 30.10 . . . . . . . . . . . 4678 1 676 . 1 1 58 58 LYS HD2 H 1 1.72 . . . . . . . . . . . 4678 1 677 . 1 1 58 58 LYS HE3 H 1 2.80 . . . . . . . . . . . 4678 1 678 . 1 1 58 58 LYS CE C 13 41.81 . . . . . . . . . . . 4678 1 679 . 1 1 58 58 LYS HE2 H 1 2.73 . . . . . . . . . . . 4678 1 680 . 1 1 58 58 LYS H H 1 9.45 . . . . . . . . . . . 4678 1 681 . 1 1 58 58 LYS N N 15 131.76 . . . . . . . . . . . 4678 1 682 . 1 1 59 59 ILE HA H 1 4.62 . . . . . . . . . . . 4678 1 683 . 1 1 59 59 ILE CA C 13 60.34 . . . . . . . . . . . 4678 1 684 . 1 1 59 59 ILE HB H 1 1.62 . . . . . . . . . . . 4678 1 685 . 1 1 59 59 ILE CB C 13 38.17 . . . . . . . . . . . 4678 1 686 . 1 1 59 59 ILE HG13 H 1 1.32 . . . . . . . . . . . 4678 1 687 . 1 1 59 59 ILE CG1 C 13 27.48 . . . . . . . . . . . 4678 1 688 . 1 1 59 59 ILE HG12 H 1 1.64 . . . . . . . . . . . 4678 1 689 . 1 1 59 59 ILE HG21 H 1 0.53 . . . . . . . . . . . 4678 1 690 . 1 1 59 59 ILE HG22 H 1 0.53 . . . . . . . . . . . 4678 1 691 . 1 1 59 59 ILE HG23 H 1 0.53 . . . . . . . . . . . 4678 1 692 . 1 1 59 59 ILE CG2 C 13 17.35 . . . . . . . . . . . 4678 1 693 . 1 1 59 59 ILE HD11 H 1 0.64 . . . . . . . . . . . 4678 1 694 . 1 1 59 59 ILE HD12 H 1 0.64 . . . . . . . . . . . 4678 1 695 . 1 1 59 59 ILE HD13 H 1 0.64 . . . . . . . . . . . 4678 1 696 . 1 1 59 59 ILE CD1 C 13 13.86 . . . . . . . . . . . 4678 1 697 . 1 1 59 59 ILE H H 1 8.82 . . . . . . . . . . . 4678 1 698 . 1 1 59 59 ILE N N 15 130.65 . . . . . . . . . . . 4678 1 699 . 1 1 60 60 ILE HA H 1 4.53 . . . . . . . . . . . 4678 1 700 . 1 1 60 60 ILE CA C 13 60.65 . . . . . . . . . . . 4678 1 701 . 1 1 60 60 ILE HB H 1 1.71 . . . . . . . . . . . 4678 1 702 . 1 1 60 60 ILE CB C 13 40.07 . . . . . . . . . . . 4678 1 703 . 1 1 60 60 ILE HG13 H 1 1.34 . . . . . . . . . . . 4678 1 704 . 1 1 60 60 ILE CG1 C 13 27.96 . . . . . . . . . . . 4678 1 705 . 1 1 60 60 ILE HG12 H 1 0.90 . . . . . . . . . . . 4678 1 706 . 1 1 60 60 ILE HG21 H 1 0.76 . . . . . . . . . . . 4678 1 707 . 1 1 60 60 ILE HG22 H 1 0.76 . . . . . . . . . . . 4678 1 708 . 1 1 60 60 ILE HG23 H 1 0.76 . . . . . . . . . . . 4678 1 709 . 1 1 60 60 ILE CG2 C 13 18.46 . . . . . . . . . . . 4678 1 710 . 1 1 60 60 ILE HD11 H 1 0.76 . . . . . . . . . . . 4678 1 711 . 1 1 60 60 ILE HD12 H 1 0.76 . . . . . . . . . . . 4678 1 712 . 1 1 60 60 ILE HD13 H 1 0.76 . . . . . . . . . . . 4678 1 713 . 1 1 60 60 ILE CD1 C 13 14.50 . . . . . . . . . . . 4678 1 714 . 1 1 60 60 ILE H H 1 8.87 . . . . . . . . . . . 4678 1 715 . 1 1 60 60 ILE N N 15 130.16 . . . . . . . . . . . 4678 1 716 . 1 1 61 61 ARG HA H 1 4.66 . . . . . . . . . . . 4678 1 717 . 1 1 61 61 ARG CA C 13 54.56 . . . . . . . . . . . 4678 1 718 . 1 1 61 61 ARG HB3 H 1 1.60 . . . . . . . . . . . 4678 1 719 . 1 1 61 61 ARG CB C 13 32.63 . . . . . . . . . . . 4678 1 720 . 1 1 61 61 ARG HB2 H 1 1.80 . . . . . . . . . . . 4678 1 721 . 1 1 61 61 ARG HG2 H 1 1.44 . . . . . . . . . . . 4678 1 722 . 1 1 61 61 ARG HG3 H 1 1.44 . . . . . . . . . . . 4678 1 723 . 1 1 61 61 ARG CG C 13 27.96 . . . . . . . . . . . 4678 1 724 . 1 1 61 61 ARG HD2 H 1 3.12 . . . . . . . . . . . 4678 1 725 . 1 1 61 61 ARG HD3 H 1 3.12 . . . . . . . . . . . 4678 1 726 . 1 1 61 61 ARG CD C 13 43.24 . . . . . . . . . . . 4678 1 727 . 1 1 61 61 ARG H H 1 8.75 . . . . . . . . . . . 4678 1 728 . 1 1 61 61 ARG N N 15 130.19 . . . . . . . . . . . 4678 1 729 . 1 1 62 62 LYS HA H 1 5.02 . . . . . . . . . . . 4678 1 730 . 1 1 62 62 LYS CA C 13 55.03 . . . . . . . . . . . 4678 1 731 . 1 1 62 62 LYS HB3 H 1 1.65 . . . . . . . . . . . 4678 1 732 . 1 1 62 62 LYS CB C 13 34.61 . . . . . . . . . . . 4678 1 733 . 1 1 62 62 LYS HB2 H 1 1.79 . . . . . . . . . . . 4678 1 734 . 1 1 62 62 LYS HG2 H 1 1.37 . . . . . . . . . . . 4678 1 735 . 1 1 62 62 LYS HG3 H 1 1.37 . . . . . . . . . . . 4678 1 736 . 1 1 62 62 LYS CG C 13 25.34 . . . . . . . . . . . 4678 1 737 . 1 1 62 62 LYS HD2 H 1 1.62 . . . . . . . . . . . 4678 1 738 . 1 1 62 62 LYS HD3 H 1 1.62 . . . . . . . . . . . 4678 1 739 . 1 1 62 62 LYS CD C 13 29.22 . . . . . . . . . . . 4678 1 740 . 1 1 62 62 LYS HE2 H 1 2.91 . . . . . . . . . . . 4678 1 741 . 1 1 62 62 LYS HE3 H 1 2.91 . . . . . . . . . . . 4678 1 742 . 1 1 62 62 LYS CE C 13 41.97 . . . . . . . . . . . 4678 1 743 . 1 1 62 62 LYS H H 1 8.64 . . . . . . . . . . . 4678 1 744 . 1 1 62 62 LYS N N 15 126.46 . . . . . . . . . . . 4678 1 745 . 1 1 63 63 SER HA H 1 5.01 . . . . . . . . . . . 4678 1 746 . 1 1 63 63 SER CA C 13 55.48 . . . . . . . . . . . 4678 1 747 . 1 1 63 63 SER HB3 H 1 4.32 . . . . . . . . . . . 4678 1 748 . 1 1 63 63 SER CB C 13 64.07 . . . . . . . . . . . 4678 1 749 . 1 1 63 63 SER HB2 H 1 3.88 . . . . . . . . . . . 4678 1 750 . 1 1 63 63 SER H H 1 8.79 . . . . . . . . . . . 4678 1 751 . 1 1 63 63 SER N N 15 122.84 . . . . . . . . . . . 4678 1 752 . 1 1 64 64 PRO HA H 1 4.52 . . . . . . . . . . . 4678 1 753 . 1 1 64 64 PRO CA C 13 64.69 . . . . . . . . . . . 4678 1 754 . 1 1 64 64 PRO HB3 H 1 2.01 . . . . . . . . . . . 4678 1 755 . 1 1 64 64 PRO CB C 13 31.99 . . . . . . . . . . . 4678 1 756 . 1 1 64 64 PRO HB2 H 1 2.47 . . . . . . . . . . . 4678 1 757 . 1 1 64 64 PRO HG3 H 1 2.13 . . . . . . . . . . . 4678 1 758 . 1 1 64 64 PRO CG C 13 27.72 . . . . . . . . . . . 4678 1 759 . 1 1 64 64 PRO HG2 H 1 2.01 . . . . . . . . . . . 4678 1 760 . 1 1 64 64 PRO HD2 H 1 3.91 . . . . . . . . . . . 4678 1 761 . 1 1 64 64 PRO HD3 H 1 3.91 . . . . . . . . . . . 4678 1 762 . 1 1 64 64 PRO CD C 13 51.00 . . . . . . . . . . . 4678 1 763 . 1 1 65 65 THR HA H 1 4.42 . . . . . . . . . . . 4678 1 764 . 1 1 65 65 THR CA C 13 60.97 . . . . . . . . . . . 4678 1 765 . 1 1 65 65 THR HB H 1 4.57 . . . . . . . . . . . 4678 1 766 . 1 1 65 65 THR CB C 13 68.44 . . . . . . . . . . . 4678 1 767 . 1 1 65 65 THR HG21 H 1 1.18 . . . . . . . . . . . 4678 1 768 . 1 1 65 65 THR HG22 H 1 1.18 . . . . . . . . . . . 4678 1 769 . 1 1 65 65 THR HG23 H 1 1.18 . . . . . . . . . . . 4678 1 770 . 1 1 65 65 THR CG2 C 13 21.70 . . . . . . . . . . . 4678 1 771 . 1 1 65 65 THR H H 1 7.70 . . . . . . . . . . . 4678 1 772 . 1 1 65 65 THR N N 15 131.44 . . . . . . . . . . . 4678 1 773 . 1 1 66 66 ALA HA H 1 4.05 . . . . . . . . . . . 4678 1 774 . 1 1 66 66 ALA CA C 13 53.34 . . . . . . . . . . . 4678 1 775 . 1 1 66 66 ALA HB1 H 1 1.50 . . . . . . . . . . . 4678 1 776 . 1 1 66 66 ALA HB2 H 1 1.50 . . . . . . . . . . . 4678 1 777 . 1 1 66 66 ALA HB3 H 1 1.50 . . . . . . . . . . . 4678 1 778 . 1 1 66 66 ALA CB C 13 17.40 . . . . . . . . . . . 4678 1 779 . 1 1 66 66 ALA H H 1 8.02 . . . . . . . . . . . 4678 1 780 . 1 1 66 66 ALA N N 15 123.64 . . . . . . . . . . . 4678 1 781 . 1 1 67 67 GLU HA H 1 4.16 . . . . . . . . . . . 4678 1 782 . 1 1 67 67 GLU CA C 13 56.96 . . . . . . . . . . . 4678 1 783 . 1 1 67 67 GLU HB3 H 1 1.96 . . . . . . . . . . . 4678 1 784 . 1 1 67 67 GLU CB C 13 30.52 . . . . . . . . . . . 4678 1 785 . 1 1 67 67 GLU HB2 H 1 2.20 . . . . . . . . . . . 4678 1 786 . 1 1 67 67 GLU HG3 H 1 2.47 . . . . . . . . . . . 4678 1 787 . 1 1 67 67 GLU CG C 13 36.27 . . . . . . . . . . . 4678 1 788 . 1 1 67 67 GLU HG2 H 1 2.32 . . . . . . . . . . . 4678 1 789 . 1 1 67 67 GLU H H 1 7.77 . . . . . . . . . . . 4678 1 790 . 1 1 67 67 GLU N N 15 122.25 . . . . . . . . . . . 4678 1 791 . 1 1 68 68 GLU HA H 1 4.68 . . . . . . . . . . . 4678 1 792 . 1 1 68 68 GLU CA C 13 55.80 . . . . . . . . . . . 4678 1 793 . 1 1 68 68 GLU HB2 H 1 1.81 . . . . . . . . . . . 4678 1 794 . 1 1 68 68 GLU HB3 H 1 1.81 . . . . . . . . . . . 4678 1 795 . 1 1 68 68 GLU CB C 13 31.71 . . . . . . . . . . . 4678 1 796 . 1 1 68 68 GLU HG3 H 1 1.96 . . . . . . . . . . . 4678 1 797 . 1 1 68 68 GLU CG C 13 36.75 . . . . . . . . . . . 4678 1 798 . 1 1 68 68 GLU HG2 H 1 2.16 . . . . . . . . . . . 4678 1 799 . 1 1 68 68 GLU H H 1 8.37 . . . . . . . . . . . 4678 1 800 . 1 1 68 68 GLU N N 15 125.14 . . . . . . . . . . . 4678 1 801 . 1 1 69 69 PHE HA H 1 4.87 . . . . . . . . . . . 4678 1 802 . 1 1 69 69 PHE CA C 13 56.36 . . . . . . . . . . . 4678 1 803 . 1 1 69 69 PHE HB3 H 1 3.06 . . . . . . . . . . . 4678 1 804 . 1 1 69 69 PHE CB C 13 40.62 . . . . . . . . . . . 4678 1 805 . 1 1 69 69 PHE HB2 H 1 2.94 . . . . . . . . . . . 4678 1 806 . 1 1 69 69 PHE HD1 H 1 7.15 . . . . . . . . . . . 4678 1 807 . 1 1 69 69 PHE HD2 H 1 7.15 . . . . . . . . . . . 4678 1 808 . 1 1 69 69 PHE HE1 H 1 7.22 . . . . . . . . . . . 4678 1 809 . 1 1 69 69 PHE HE2 H 1 7.22 . . . . . . . . . . . 4678 1 810 . 1 1 69 69 PHE H H 1 8.82 . . . . . . . . . . . 4678 1 811 . 1 1 69 69 PHE N N 15 126.80 . . . . . . . . . . . 4678 1 812 . 1 1 70 70 VAL HA H 1 4.92 . . . . . . . . . . . 4678 1 813 . 1 1 70 70 VAL CA C 13 60.89 . . . . . . . . . . . 4678 1 814 . 1 1 70 70 VAL HB H 1 1.77 . . . . . . . . . . . 4678 1 815 . 1 1 70 70 VAL CB C 13 33.86 . . . . . . . . . . . 4678 1 816 . 1 1 70 70 VAL HG11 H 1 0.58 . . . . . . . . . . . 4678 1 817 . 1 1 70 70 VAL HG12 H 1 0.58 . . . . . . . . . . . 4678 1 818 . 1 1 70 70 VAL HG13 H 1 0.58 . . . . . . . . . . . 4678 1 819 . 1 1 70 70 VAL CG1 C 13 21.46 . . . . . . . . . . . 4678 1 820 . 1 1 70 70 VAL HG21 H 1 0.83 . . . . . . . . . . . 4678 1 821 . 1 1 70 70 VAL HG22 H 1 0.83 . . . . . . . . . . . 4678 1 822 . 1 1 70 70 VAL HG23 H 1 0.83 . . . . . . . . . . . 4678 1 823 . 1 1 70 70 VAL CG2 C 13 21.46 . . . . . . . . . . . 4678 1 824 . 1 1 70 70 VAL H H 1 8.49 . . . . . . . . . . . 4678 1 825 . 1 1 70 70 VAL N N 15 128.25 . . . . . . . . . . . 4678 1 826 . 1 1 71 71 THR HA H 1 4.44 . . . . . . . . . . . 4678 1 827 . 1 1 71 71 THR CA C 13 59.93 . . . . . . . . . . . 4678 1 828 . 1 1 71 71 THR HB H 1 4.11 . . . . . . . . . . . 4678 1 829 . 1 1 71 71 THR CB C 13 71.46 . . . . . . . . . . . 4678 1 830 . 1 1 71 71 THR HG21 H 1 1.11 . . . . . . . . . . . 4678 1 831 . 1 1 71 71 THR HG22 H 1 1.11 . . . . . . . . . . . 4678 1 832 . 1 1 71 71 THR HG23 H 1 1.11 . . . . . . . . . . . 4678 1 833 . 1 1 71 71 THR CG2 C 13 21.31 . . . . . . . . . . . 4678 1 834 . 1 1 71 71 THR H H 1 8.42 . . . . . . . . . . . 4678 1 835 . 1 1 71 71 THR N N 15 122.60 . . . . . . . . . . . 4678 1 836 . 1 1 72 72 TYR HA H 1 5.78 . . . . . . . . . . . 4678 1 837 . 1 1 72 72 TYR CA C 13 56.75 . . . . . . . . . . . 4678 1 838 . 1 1 72 72 TYR HB3 H 1 2.73 . . . . . . . . . . . 4678 1 839 . 1 1 72 72 TYR CB C 13 42.60 . . . . . . . . . . . 4678 1 840 . 1 1 72 72 TYR HB2 H 1 2.57 . . . . . . . . . . . 4678 1 841 . 1 1 72 72 TYR H H 1 8.00 . . . . . . . . . . . 4678 1 842 . 1 1 72 72 TYR N N 15 120.49 . . . . . . . . . . . 4678 1 843 . 1 1 72 72 TYR HD1 H 1 6.94 . . . . . . . . . . . 4678 1 844 . 1 1 72 72 TYR HD2 H 1 6.94 . . . . . . . . . . . 4678 1 845 . 1 1 72 72 TYR HE1 H 1 6.63 . . . . . . . . . . . 4678 1 846 . 1 1 72 72 TYR HE2 H 1 6.63 . . . . . . . . . . . 4678 1 847 . 1 1 73 73 ARG HA H 1 5.06 . . . . . . . . . . . 4678 1 848 . 1 1 73 73 ARG CA C 13 52.90 . . . . . . . . . . . 4678 1 849 . 1 1 73 73 ARG HB2 H 1 1.44 . . . . . . . . . . . 4678 1 850 . 1 1 73 73 ARG HB3 H 1 1.44 . . . . . . . . . . . 4678 1 851 . 1 1 73 73 ARG CB C 13 34.61 . . . . . . . . . . . 4678 1 852 . 1 1 73 73 ARG CG C 13 27.48 . . . . . . . . . . . 4678 1 853 . 1 1 73 73 ARG HD3 H 1 2.74 . . . . . . . . . . . 4678 1 854 . 1 1 73 73 ARG CD C 13 43.47 . . . . . . . . . . . 4678 1 855 . 1 1 73 73 ARG HD2 H 1 3.25 . . . . . . . . . . . 4678 1 856 . 1 1 73 73 ARG H H 1 9.11 . . . . . . . . . . . 4678 1 857 . 1 1 73 73 ARG N N 15 121.87 . . . . . . . . . . . 4678 1 858 . 1 1 74 74 LEU HA H 1 4.94 . . . . . . . . . . . 4678 1 859 . 1 1 74 74 LEU CA C 13 53.29 . . . . . . . . . . . 4678 1 860 . 1 1 74 74 LEU HB3 H 1 1.33 . . . . . . . . . . . 4678 1 861 . 1 1 74 74 LEU CB C 13 44.66 . . . . . . . . . . . 4678 1 862 . 1 1 74 74 LEU HB2 H 1 1.65 . . . . . . . . . . . 4678 1 863 . 1 1 74 74 LEU HG H 1 1.65 . . . . . . . . . . . 4678 1 864 . 1 1 74 74 LEU CG C 13 25.98 . . . . . . . . . . . 4678 1 865 . 1 1 74 74 LEU HD11 H 1 0.80 . . . . . . . . . . . 4678 1 866 . 1 1 74 74 LEU HD12 H 1 0.80 . . . . . . . . . . . 4678 1 867 . 1 1 74 74 LEU HD13 H 1 0.80 . . . . . . . . . . . 4678 1 868 . 1 1 74 74 LEU CD1 C 13 25.98 . . . . . . . . . . . 4678 1 869 . 1 1 74 74 LEU HD21 H 1 0.85 . . . . . . . . . . . 4678 1 870 . 1 1 74 74 LEU HD22 H 1 0.85 . . . . . . . . . . . 4678 1 871 . 1 1 74 74 LEU HD23 H 1 0.85 . . . . . . . . . . . 4678 1 872 . 1 1 74 74 LEU CD2 C 13 23.76 . . . . . . . . . . . 4678 1 873 . 1 1 74 74 LEU H H 1 8.41 . . . . . . . . . . . 4678 1 874 . 1 1 74 74 LEU N N 15 126.83 . . . . . . . . . . . 4678 1 875 . 1 1 75 75 VAL HA H 1 4.69 . . . . . . . . . . . 4678 1 876 . 1 1 75 75 VAL CA C 13 61.52 . . . . . . . . . . . 4678 1 877 . 1 1 75 75 VAL HB H 1 2.26 . . . . . . . . . . . 4678 1 878 . 1 1 75 75 VAL CB C 13 29.86 . . . . . . . . . . . 4678 1 879 . 1 1 75 75 VAL HG11 H 1 0.49 . . . . . . . . . . . 4678 1 880 . 1 1 75 75 VAL HG12 H 1 0.49 . . . . . . . . . . . 4678 1 881 . 1 1 75 75 VAL HG13 H 1 0.49 . . . . . . . . . . . 4678 1 882 . 1 1 75 75 VAL CG1 C 13 22.02 . . . . . . . . . . . 4678 1 883 . 1 1 75 75 VAL HG21 H 1 0.71 . . . . . . . . . . . 4678 1 884 . 1 1 75 75 VAL HG22 H 1 0.71 . . . . . . . . . . . 4678 1 885 . 1 1 75 75 VAL HG23 H 1 0.71 . . . . . . . . . . . 4678 1 886 . 1 1 75 75 VAL CG2 C 13 22.02 . . . . . . . . . . . 4678 1 887 . 1 1 75 75 VAL H H 1 8.87 . . . . . . . . . . . 4678 1 888 . 1 1 75 75 VAL N N 15 130.16 . . . . . . . . . . . 4678 1 889 . 1 1 76 76 GLN HA H 1 4.48 . . . . . . . . . . . 4678 1 890 . 1 1 76 76 GLN CA C 13 55.32 . . . . . . . . . . . 4678 1 891 . 1 1 76 76 GLN HB2 H 1 2.43 . . . . . . . . . . . 4678 1 892 . 1 1 76 76 GLN HB3 H 1 2.43 . . . . . . . . . . . 4678 1 893 . 1 1 76 76 GLN CB C 13 34.05 . . . . . . . . . . . 4678 1 894 . 1 1 76 76 GLN HG2 H 1 2.05 . . . . . . . . . . . 4678 1 895 . 1 1 76 76 GLN HG3 H 1 2.05 . . . . . . . . . . . 4678 1 896 . 1 1 76 76 GLN CG C 13 32.98 . . . . . . . . . . . 4678 1 897 . 1 1 76 76 GLN H H 1 9.09 . . . . . . . . . . . 4678 1 898 . 1 1 76 76 GLN N N 15 133.35 . . . . . . . . . . . 4678 1 899 . 1 1 77 77 ASP HA H 1 4.62 . . . . . . . . . . . 4678 1 900 . 1 1 77 77 ASP CA C 13 56.60 . . . . . . . . . . . 4678 1 901 . 1 1 77 77 ASP HB3 H 1 2.53 . . . . . . . . . . . 4678 1 902 . 1 1 77 77 ASP CB C 13 42.05 . . . . . . . . . . . 4678 1 903 . 1 1 77 77 ASP HB2 H 1 2.73 . . . . . . . . . . . 4678 1 904 . 1 1 77 77 ASP H H 1 8.19 . . . . . . . . . . . 4678 1 905 . 1 1 77 77 ASP N N 15 130.78 . . . . . . . . . . . 4678 1 stop_ save_