data_5485 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5485 _Entry.Title ; Thermal stability and solution structure of the ribosomal protein L30e from hyperthermophile archaeon Thermococcus celer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-08-01 _Entry.Accession_date 2002-08-02 _Entry.Last_release_date 2003-07-30 _Entry.Original_release_date 2003-07-30 _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 Siu-Hong Chan . . . 5485 2 Tak-Yuen Leung . . . 5485 3 'Yu Wai' Chen . . . 5485 4 Mark Bycroft . . . 5485 5 Kam-Bo Wong . . . 5485 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5485 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 700 5485 '13C chemical shifts' 300 5485 '15N chemical shifts' 96 5485 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 . . 2003-07-30 2002-08-02 original author . 5485 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5485 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22709226 _Citation.DOI . _Citation.PubMed_ID 12824494 _Citation.Full_citation . _Citation.Title ; Solution Structure and Thermal Stability of Ribosomal Protein L30e from Hyperthermophilic Archaeon Thermococcus celer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 7 _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 1483 _Citation.Page_last 1495 _Citation.Year 2003 _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 Kam-Bo Wong . . . 5485 1 2 Chi-Fung Lee . . . 5485 1 3 Siu-Hong Chan . . . 5485 1 4 Tak-Yuen Leung . . . 5485 1 5 'Yu Wai' Chen . . . 5485 1 6 Mark Bycroft . . . 5485 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_L30e _Assembly.Sf_category assembly _Assembly.Sf_framecode system_L30e _Assembly.Entry_ID 5485 _Assembly.ID 1 _Assembly.Name 'ribosomal protein L30e' _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 5485 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 L30e 1 $L30e . . . native . . . . . 5485 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 1GO0 . . . . . . 5485 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ribosomal protein L30e' system 5485 1 L30e abbreviation 5485 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'component of 50S ribosome subunit' 5485 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L30e _Entity.Sf_category entity _Entity.Sf_framecode L30e _Entity.Entry_ID 5485 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ribosomal protein L30e' _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 ; VDFAFELRKAQDTGKIVMGA RKSIQYAKMGGAKLIIVARN ARPDIKEDIEYYARLSGIPV YEFEGTSVELGTLLGRPHTV SALAVVDPGESRILALGGKE ; _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 100 _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 . _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 1GO0 . "Nmr Structure Of Ribosomal Protein L30e From Thermococcus Celer" . . . . . 100.00 102 100.00 100.00 1.04e-63 . . . . 5485 1 2 no PDB 1GO1 . "Nmr Structure Of Ribosomal Protein L30e From Thermococcus Celer" . . . . . 100.00 102 100.00 100.00 1.04e-63 . . . . 5485 1 3 no PDB 1H7M . "Ribosomal Protein L30e From Thermococcus Celer" . . . . . 100.00 102 100.00 100.00 1.04e-63 . . . . 5485 1 4 no PDB 1W3E . "Ribosomal L30e Of Thermococcus Celer, P59a Mutant" . . . . . 100.00 101 99.00 99.00 9.12e-63 . . . . 5485 1 5 no PDB 1W40 . "T. Celer L30e K9a Variant" . . . . . 100.00 101 99.00 99.00 4.39e-63 . . . . 5485 1 6 no PDB 1W41 . "T.Celer L30e E90a Variant" . . . . . 100.00 101 99.00 99.00 5.01e-63 . . . . 5485 1 7 no PDB 1W42 . "T. Celer L30e R92a Variant" . . . . . 100.00 101 99.00 99.00 6.72e-63 . . . . 5485 1 8 no PDB 3LFO . "Crystal Structure Of T. Celer L30e E90aR92A VARIANT" . . . . . 100.00 101 98.00 98.00 5.22e-62 . . . . 5485 1 9 no PDB 3N4Y . "Crystal Structure Of Wild-Type T. Celer L30e In Low Ionic Strength Condition Without Precipitant" . . . . . 100.00 101 100.00 100.00 6.96e-64 . . . . 5485 1 10 no PDB 3RA5 . "Crystal Structure Of T. Celer L30e E6aR92A VARIANT" . . . . . 100.00 101 98.00 98.00 5.22e-62 . . . . 5485 1 11 no PDB 3RA6 . "Crystal Structure Of T. Celer L30e E62aK46A VARIANT" . . . . . 100.00 101 98.00 98.00 3.13e-62 . . . . 5485 1 12 no EMBL CAA42847 . "ribosomal protein L30 [Thermococcus celer]" . . . . . 100.00 101 100.00 100.00 6.96e-64 . . . . 5485 1 13 no EMBL CAA47725 . "ribosomal protein 30 [Thermococcus celer]" . . . . . 100.00 101 100.00 100.00 6.96e-64 . . . . 5485 1 14 no SP P29160 . "RecName: Full=50S ribosomal protein L30e [Thermococcus celer]" . . . . . 100.00 101 100.00 100.00 6.96e-64 . . . . 5485 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ribosomal protein L30e' common 5485 1 L30e abbreviation 5485 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 . VAL . 5485 1 2 . ASP . 5485 1 3 . PHE . 5485 1 4 . ALA . 5485 1 5 . PHE . 5485 1 6 . GLU . 5485 1 7 . LEU . 5485 1 8 . ARG . 5485 1 9 . LYS . 5485 1 10 . ALA . 5485 1 11 . GLN . 5485 1 12 . ASP . 5485 1 13 . THR . 5485 1 14 . GLY . 5485 1 15 . LYS . 5485 1 16 . ILE . 5485 1 17 . VAL . 5485 1 18 . MET . 5485 1 19 . GLY . 5485 1 20 . ALA . 5485 1 21 . ARG . 5485 1 22 . LYS . 5485 1 23 . SER . 5485 1 24 . ILE . 5485 1 25 . GLN . 5485 1 26 . TYR . 5485 1 27 . ALA . 5485 1 28 . LYS . 5485 1 29 . MET . 5485 1 30 . GLY . 5485 1 31 . GLY . 5485 1 32 . ALA . 5485 1 33 . LYS . 5485 1 34 . LEU . 5485 1 35 . ILE . 5485 1 36 . ILE . 5485 1 37 . VAL . 5485 1 38 . ALA . 5485 1 39 . ARG . 5485 1 40 . ASN . 5485 1 41 . ALA . 5485 1 42 . ARG . 5485 1 43 . PRO . 5485 1 44 . ASP . 5485 1 45 . ILE . 5485 1 46 . LYS . 5485 1 47 . GLU . 5485 1 48 . ASP . 5485 1 49 . ILE . 5485 1 50 . GLU . 5485 1 51 . TYR . 5485 1 52 . TYR . 5485 1 53 . ALA . 5485 1 54 . ARG . 5485 1 55 . LEU . 5485 1 56 . SER . 5485 1 57 . GLY . 5485 1 58 . ILE . 5485 1 59 . PRO . 5485 1 60 . VAL . 5485 1 61 . TYR . 5485 1 62 . GLU . 5485 1 63 . PHE . 5485 1 64 . GLU . 5485 1 65 . GLY . 5485 1 66 . THR . 5485 1 67 . SER . 5485 1 68 . VAL . 5485 1 69 . GLU . 5485 1 70 . LEU . 5485 1 71 . GLY . 5485 1 72 . THR . 5485 1 73 . LEU . 5485 1 74 . LEU . 5485 1 75 . GLY . 5485 1 76 . ARG . 5485 1 77 . PRO . 5485 1 78 . HIS . 5485 1 79 . THR . 5485 1 80 . VAL . 5485 1 81 . SER . 5485 1 82 . ALA . 5485 1 83 . LEU . 5485 1 84 . ALA . 5485 1 85 . VAL . 5485 1 86 . VAL . 5485 1 87 . ASP . 5485 1 88 . PRO . 5485 1 89 . GLY . 5485 1 90 . GLU . 5485 1 91 . SER . 5485 1 92 . ARG . 5485 1 93 . ILE . 5485 1 94 . LEU . 5485 1 95 . ALA . 5485 1 96 . LEU . 5485 1 97 . GLY . 5485 1 98 . GLY . 5485 1 99 . LYS . 5485 1 100 . GLU . 5485 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 . VAL 1 1 5485 1 . ASP 2 2 5485 1 . PHE 3 3 5485 1 . ALA 4 4 5485 1 . PHE 5 5 5485 1 . GLU 6 6 5485 1 . LEU 7 7 5485 1 . ARG 8 8 5485 1 . LYS 9 9 5485 1 . ALA 10 10 5485 1 . GLN 11 11 5485 1 . ASP 12 12 5485 1 . THR 13 13 5485 1 . GLY 14 14 5485 1 . LYS 15 15 5485 1 . ILE 16 16 5485 1 . VAL 17 17 5485 1 . MET 18 18 5485 1 . GLY 19 19 5485 1 . ALA 20 20 5485 1 . ARG 21 21 5485 1 . LYS 22 22 5485 1 . SER 23 23 5485 1 . ILE 24 24 5485 1 . GLN 25 25 5485 1 . TYR 26 26 5485 1 . ALA 27 27 5485 1 . LYS 28 28 5485 1 . MET 29 29 5485 1 . GLY 30 30 5485 1 . GLY 31 31 5485 1 . ALA 32 32 5485 1 . LYS 33 33 5485 1 . LEU 34 34 5485 1 . ILE 35 35 5485 1 . ILE 36 36 5485 1 . VAL 37 37 5485 1 . ALA 38 38 5485 1 . ARG 39 39 5485 1 . ASN 40 40 5485 1 . ALA 41 41 5485 1 . ARG 42 42 5485 1 . PRO 43 43 5485 1 . ASP 44 44 5485 1 . ILE 45 45 5485 1 . LYS 46 46 5485 1 . GLU 47 47 5485 1 . ASP 48 48 5485 1 . ILE 49 49 5485 1 . GLU 50 50 5485 1 . TYR 51 51 5485 1 . TYR 52 52 5485 1 . ALA 53 53 5485 1 . ARG 54 54 5485 1 . LEU 55 55 5485 1 . SER 56 56 5485 1 . GLY 57 57 5485 1 . ILE 58 58 5485 1 . PRO 59 59 5485 1 . VAL 60 60 5485 1 . TYR 61 61 5485 1 . GLU 62 62 5485 1 . PHE 63 63 5485 1 . GLU 64 64 5485 1 . GLY 65 65 5485 1 . THR 66 66 5485 1 . SER 67 67 5485 1 . VAL 68 68 5485 1 . GLU 69 69 5485 1 . LEU 70 70 5485 1 . GLY 71 71 5485 1 . THR 72 72 5485 1 . LEU 73 73 5485 1 . LEU 74 74 5485 1 . GLY 75 75 5485 1 . ARG 76 76 5485 1 . PRO 77 77 5485 1 . HIS 78 78 5485 1 . THR 79 79 5485 1 . VAL 80 80 5485 1 . SER 81 81 5485 1 . ALA 82 82 5485 1 . LEU 83 83 5485 1 . ALA 84 84 5485 1 . VAL 85 85 5485 1 . VAL 86 86 5485 1 . ASP 87 87 5485 1 . PRO 88 88 5485 1 . GLY 89 89 5485 1 . GLU 90 90 5485 1 . SER 91 91 5485 1 . ARG 92 92 5485 1 . ILE 93 93 5485 1 . LEU 94 94 5485 1 . ALA 95 95 5485 1 . LEU 96 96 5485 1 . GLY 97 97 5485 1 . GLY 98 98 5485 1 . LYS 99 99 5485 1 . GLU 100 100 5485 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 5485 _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 $L30e . 2264 . . 'Thermococcus celer' 'T celer' . . Archaea . Thermococcus celer . . . . . . . . . . . . . . . . . . . . . 5485 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 5485 _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 $L30e . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5485 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5485 _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 'Ribosomal protein L30e' . . . 1 $L30e . . 1 . . mM . . . . 5485 1 2 D20 . . . . . . . 100 . . % . . . . 5485 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5485 _Sample.ID 2 _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 'Ribosomal protein L30e' '[U-100% 15N]' . . 1 $L30e . . 1 . . mM . . . . 5485 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5485 _Sample.ID 3 _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 'Ribosomal protein L30e' '[U-100% 15N; U-100% 13C]' . . 1 $L30e . . 1 . . mM . . . . 5485 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5485 _Sample.ID 4 _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 'Ribosomal protein L30e' '[U-100% 15N; U-100% 13C]' . . 1 $L30e . . 1 . . mM . . . . 5485 4 2 D20 . . . . . . . 100 . . % . . . . 5485 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 5485 _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 5.6 0.2 n/a 5485 1 temperature 310 1 K 5485 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5485 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5485 _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 Bruker AMX . 500 . . . 5485 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 5485 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5485 1 2 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5485 1 3 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5485 1 4 NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5485 1 5 TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5485 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5485 1 7 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5485 1 8 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5485 1 9 '1H-13C HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5485 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 5485 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D TOCSY' _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 5485 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5485 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5485 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name NOESY-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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5485 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name TOCSY-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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5485 _NMR_spec_expt.ID 6 _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5485 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCA(CO)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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5485 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCA _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 5485 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-13C HCCH-TOCSY' _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 5485 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.631 internal indirect .25145002 internal cylindrical parallel_to_Bo . . . . . . 5485 1 N 15 water protons . . . . ppm 4.631 internal indirect .10132914 internal cylindrical parallel_to_Bo . . . . . . 5485 1 H 1 water protons . . . . ppm 4.631 internal direct 1.00 internal cylindrical parallel_to_Bo . . . . . . 5485 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5485 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5485 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 VAL HA H 1 4.202 0.02 . 1 . . . . . . . . 5485 1 2 . 1 1 1 1 VAL CB C 13 31.380 0.1 . 1 . . . . . . . . 5485 1 3 . 1 1 1 1 VAL HB H 1 2.009 0.02 . 1 . . . . . . . . 5485 1 4 . 1 1 1 1 VAL CG1 C 13 19.47 0.1 . 1 . . . . . . . . 5485 1 5 . 1 1 1 1 VAL HG11 H 1 0.746 0.02 . 1 . . . . . . . . 5485 1 6 . 1 1 1 1 VAL HG12 H 1 0.746 0.02 . 1 . . . . . . . . 5485 1 7 . 1 1 1 1 VAL HG13 H 1 0.746 0.02 . 1 . . . . . . . . 5485 1 8 . 1 1 1 1 VAL CG2 C 13 18.238 0.1 . 1 . . . . . . . . 5485 1 9 . 1 1 1 1 VAL HG21 H 1 0.746 0.02 . 1 . . . . . . . . 5485 1 10 . 1 1 1 1 VAL HG22 H 1 0.746 0.02 . 1 . . . . . . . . 5485 1 11 . 1 1 1 1 VAL HG23 H 1 0.746 0.02 . 1 . . . . . . . . 5485 1 12 . 1 1 1 1 VAL N N 15 119.549 0.1 . 1 . . . . . . . . 5485 1 13 . 1 1 1 1 VAL H H 1 8.111 0.02 . 1 . . . . . . . . 5485 1 14 . 1 1 1 1 VAL CA C 13 59.489 0.1 . 1 . . . . . . . . 5485 1 15 . 1 1 2 2 ASP N N 15 126.151 0.1 . 1 . . . . . . . . 5485 1 16 . 1 1 2 2 ASP H H 1 9.039 0.02 . 1 . . . . . . . . 5485 1 17 . 1 1 2 2 ASP CA C 13 51.423 0.1 . 1 . . . . . . . . 5485 1 18 . 1 1 2 2 ASP HA H 1 4.737 0.02 . 1 . . . . . . . . 5485 1 19 . 1 1 2 2 ASP CB C 13 39.434 0.1 . 1 . . . . . . . . 5485 1 20 . 1 1 2 2 ASP HB3 H 1 2.518 0.02 . 2 . . . . . . . . 5485 1 21 . 1 1 2 2 ASP HB2 H 1 2.995 0.02 . 2 . . . . . . . . 5485 1 22 . 1 1 3 3 PHE N N 15 126.588 0.1 . 1 . . . . . . . . 5485 1 23 . 1 1 3 3 PHE H H 1 8.588 0.02 . 1 . . . . . . . . 5485 1 24 . 1 1 3 3 PHE CA C 13 60.995 0.1 . 1 . . . . . . . . 5485 1 25 . 1 1 3 3 PHE HA H 1 3.679 0.02 . 1 . . . . . . . . 5485 1 26 . 1 1 3 3 PHE CB C 13 37.764 0.1 . 1 . . . . . . . . 5485 1 27 . 1 1 3 3 PHE HB3 H 1 3.154 0.02 . 2 . . . . . . . . 5485 1 28 . 1 1 3 3 PHE HB2 H 1 3.323 0.02 . 2 . . . . . . . . 5485 1 29 . 1 1 3 3 PHE HD1 H 1 7.072 0.02 . 1 . . . . . . . . 5485 1 30 . 1 1 3 3 PHE HD2 H 1 7.072 0.02 . 1 . . . . . . . . 5485 1 31 . 1 1 3 3 PHE HE1 H 1 6.722 0.02 . 1 . . . . . . . . 5485 1 32 . 1 1 3 3 PHE HE2 H 1 6.722 0.02 . 1 . . . . . . . . 5485 1 33 . 1 1 3 3 PHE HZ H 1 7.284 0.02 . 1 . . . . . . . . 5485 1 34 . 1 1 4 4 ALA N N 15 119.250 0.1 . 1 . . . . . . . . 5485 1 35 . 1 1 4 4 ALA H H 1 8.396 0.02 . 1 . . . . . . . . 5485 1 36 . 1 1 4 4 ALA CA C 13 53.622 0.1 . 1 . . . . . . . . 5485 1 37 . 1 1 4 4 ALA HA H 1 3.634 0.02 . 1 . . . . . . . . 5485 1 38 . 1 1 4 4 ALA CB C 13 16.904 0.1 . 1 . . . . . . . . 5485 1 39 . 1 1 4 4 ALA HB1 H 1 1.534 0.02 . 1 . . . . . . . . 5485 1 40 . 1 1 4 4 ALA HB2 H 1 1.534 0.02 . 1 . . . . . . . . 5485 1 41 . 1 1 4 4 ALA HB3 H 1 1.534 0.02 . 1 . . . . . . . . 5485 1 42 . 1 1 5 5 PHE N N 15 118.034 0.1 . 1 . . . . . . . . 5485 1 43 . 1 1 5 5 PHE H H 1 7.911 0.02 . 1 . . . . . . . . 5485 1 44 . 1 1 5 5 PHE CA C 13 59.256 0.1 . 1 . . . . . . . . 5485 1 45 . 1 1 5 5 PHE HA H 1 4.019 0.02 . 1 . . . . . . . . 5485 1 46 . 1 1 5 5 PHE CB C 13 37.677 0.1 . 1 . . . . . . . . 5485 1 47 . 1 1 5 5 PHE HB3 H 1 2.997 0.02 . 2 . . . . . . . . 5485 1 48 . 1 1 5 5 PHE HB2 H 1 3.185 0.02 . 2 . . . . . . . . 5485 1 49 . 1 1 5 5 PHE HD1 H 1 7.231 0.02 . 1 . . . . . . . . 5485 1 50 . 1 1 5 5 PHE HD2 H 1 7.231 0.02 . 1 . . . . . . . . 5485 1 51 . 1 1 5 5 PHE HE1 H 1 7.376 0.02 . 4 . . . . . . . . 5485 1 52 . 1 1 5 5 PHE HE2 H 1 7.376 0.02 . 4 . . . . . . . . 5485 1 53 . 1 1 5 5 PHE HZ H 1 7.376 0.02 . 4 . . . . . . . . 5485 1 54 . 1 1 6 6 GLU N N 15 116.180 0.1 . 1 . . . . . . . . 5485 1 55 . 1 1 6 6 GLU H H 1 8.389 0.02 . 1 . . . . . . . . 5485 1 56 . 1 1 6 6 GLU CA C 13 55.384 0.1 . 1 . . . . . . . . 5485 1 57 . 1 1 6 6 GLU HA H 1 4.213 0.02 . 1 . . . . . . . . 5485 1 58 . 1 1 6 6 GLU CB C 13 26.363 0.1 . 1 . . . . . . . . 5485 1 59 . 1 1 6 6 GLU HB3 H 1 1.512 0.02 . 2 . . . . . . . . 5485 1 60 . 1 1 6 6 GLU HB2 H 1 1.699 0.02 . 2 . . . . . . . . 5485 1 61 . 1 1 6 6 GLU CG C 13 33.750 0.1 . 1 . . . . . . . . 5485 1 62 . 1 1 6 6 GLU HG3 H 1 2.864 0.02 . 1 . . . . . . . . 5485 1 63 . 1 1 6 6 GLU HG2 H 1 2.864 0.02 . 1 . . . . . . . . 5485 1 64 . 1 1 7 7 LEU N N 15 121.989 0.1 . 1 . . . . . . . . 5485 1 65 . 1 1 7 7 LEU H H 1 8.643 0.02 . 1 . . . . . . . . 5485 1 66 . 1 1 7 7 LEU CA C 13 55.819 0.1 . 1 . . . . . . . . 5485 1 67 . 1 1 7 7 LEU HA H 1 3.606 0.02 . 1 . . . . . . . . 5485 1 68 . 1 1 7 7 LEU CB C 13 38.573 0.1 . 1 . . . . . . . . 5485 1 69 . 1 1 7 7 LEU HB3 H 1 0.541 0.02 . 2 . . . . . . . . 5485 1 70 . 1 1 7 7 LEU HB2 H 1 1.288 0.02 . 2 . . . . . . . . 5485 1 71 . 1 1 7 7 LEU CG C 13 24.53 0.1 . 1 . . . . . . . . 5485 1 72 . 1 1 7 7 LEU HG H 1 1.159 0.02 . 1 . . . . . . . . 5485 1 73 . 1 1 7 7 LEU CD1 C 13 20.90 0.1 . 1 . . . . . . . . 5485 1 74 . 1 1 7 7 LEU HD11 H 1 0.421 0.02 . 1 . . . . . . . . 5485 1 75 . 1 1 7 7 LEU HD12 H 1 0.421 0.02 . 1 . . . . . . . . 5485 1 76 . 1 1 7 7 LEU HD13 H 1 0.421 0.02 . 1 . . . . . . . . 5485 1 77 . 1 1 7 7 LEU CD2 C 13 24.58 0.1 . 1 . . . . . . . . 5485 1 78 . 1 1 7 7 LEU HD21 H 1 0.444 0.02 . 1 . . . . . . . . 5485 1 79 . 1 1 7 7 LEU HD22 H 1 0.444 0.02 . 1 . . . . . . . . 5485 1 80 . 1 1 7 7 LEU HD23 H 1 0.444 0.02 . 1 . . . . . . . . 5485 1 81 . 1 1 8 8 ARG N N 15 118.114 0.1 . 1 . . . . . . . . 5485 1 82 . 1 1 8 8 ARG H H 1 7.474 0.02 . 1 . . . . . . . . 5485 1 83 . 1 1 8 8 ARG CA C 13 57.053 0.1 . 1 . . . . . . . . 5485 1 84 . 1 1 8 8 ARG HA H 1 3.846 0.02 . 1 . . . . . . . . 5485 1 85 . 1 1 8 8 ARG CB C 13 27.183 0.1 . 1 . . . . . . . . 5485 1 86 . 1 1 8 8 ARG HB3 H 1 1.742 0.02 . 1 . . . . . . . . 5485 1 87 . 1 1 8 8 ARG HB2 H 1 1.742 0.02 . 1 . . . . . . . . 5485 1 88 . 1 1 8 8 ARG CG C 13 25.928 0.1 . 1 . . . . . . . . 5485 1 89 . 1 1 8 8 ARG HG3 H 1 1.630 0.02 . 2 . . . . . . . . 5485 1 90 . 1 1 8 8 ARG HG2 H 1 1.549 0.02 . 2 . . . . . . . . 5485 1 91 . 1 1 8 8 ARG CD C 13 41.406 0.1 . 1 . . . . . . . . 5485 1 92 . 1 1 8 8 ARG HD3 H 1 3.176 0.02 . 1 . . . . . . . . 5485 1 93 . 1 1 8 8 ARG HD2 H 1 3.176 0.02 . 1 . . . . . . . . 5485 1 94 . 1 1 9 9 LYS N N 15 118.491 0.1 . 1 . . . . . . . . 5485 1 95 . 1 1 9 9 LYS H H 1 7.63 0.02 . 1 . . . . . . . . 5485 1 96 . 1 1 9 9 LYS CA C 13 56.616 0.1 . 1 . . . . . . . . 5485 1 97 . 1 1 9 9 LYS HA H 1 4.015 0.02 . 1 . . . . . . . . 5485 1 98 . 1 1 9 9 LYS CB C 13 29.142 0.1 . 1 . . . . . . . . 5485 1 99 . 1 1 9 9 LYS HB3 H 1 1.517 0.02 . 1 . . . . . . . . 5485 1 100 . 1 1 9 9 LYS HB2 H 1 1.517 0.02 . 1 . . . . . . . . 5485 1 101 . 1 1 9 9 LYS HG3 H 1 1.152 0.02 . 1 . . . . . . . . 5485 1 102 . 1 1 9 9 LYS HG2 H 1 1.152 0.02 . 1 . . . . . . . . 5485 1 103 . 1 1 9 9 LYS HD3 H 1 1.206 0.02 . 1 . . . . . . . . 5485 1 104 . 1 1 9 9 LYS HD2 H 1 1.206 0.02 . 1 . . . . . . . . 5485 1 105 . 1 1 9 9 LYS CE C 13 40.156 0.1 . 1 . . . . . . . . 5485 1 106 . 1 1 9 9 LYS HE3 H 1 3.039 0.02 . 1 . . . . . . . . 5485 1 107 . 1 1 9 9 LYS HE2 H 1 3.039 0.02 . 1 . . . . . . . . 5485 1 108 . 1 1 10 10 ALA N N 15 127.107 0.1 . 1 . . . . . . . . 5485 1 109 . 1 1 10 10 ALA H H 1 8.559 0.02 . 1 . . . . . . . . 5485 1 110 . 1 1 10 10 ALA CA C 13 53.260 0.1 . 1 . . . . . . . . 5485 1 111 . 1 1 10 10 ALA HA H 1 3.9 0.02 . 1 . . . . . . . . 5485 1 112 . 1 1 10 10 ALA CB C 13 15.236 0.1 . 1 . . . . . . . . 5485 1 113 . 1 1 10 10 ALA HB1 H 1 1.326 0.02 . 1 . . . . . . . . 5485 1 114 . 1 1 10 10 ALA HB2 H 1 1.326 0.02 . 1 . . . . . . . . 5485 1 115 . 1 1 10 10 ALA HB3 H 1 1.326 0.02 . 1 . . . . . . . . 5485 1 116 . 1 1 11 11 GLN N N 15 117.518 0.1 . 1 . . . . . . . . 5485 1 117 . 1 1 11 11 GLN H H 1 8.128 0.02 . 1 . . . . . . . . 5485 1 118 . 1 1 11 11 GLN CA C 13 57.111 0.1 . 1 . . . . . . . . 5485 1 119 . 1 1 11 11 GLN HA H 1 3.718 0.02 . 1 . . . . . . . . 5485 1 120 . 1 1 11 11 GLN CB C 13 26.908 0.1 . 1 . . . . . . . . 5485 1 121 . 1 1 11 11 GLN HB3 H 1 1.746 0.02 . 2 . . . . . . . . 5485 1 122 . 1 1 11 11 GLN HB2 H 1 2.223 0.02 . 2 . . . . . . . . 5485 1 123 . 1 1 11 11 GLN CG C 13 32.188 0.1 . 1 . . . . . . . . 5485 1 124 . 1 1 11 11 GLN HG3 H 1 2.283 0.02 . 2 . . . . . . . . 5485 1 125 . 1 1 11 11 GLN HG2 H 1 2.138 0.02 . 2 . . . . . . . . 5485 1 126 . 1 1 12 12 ASP N N 15 115.666 0.1 . 1 . . . . . . . . 5485 1 127 . 1 1 12 12 ASP H H 1 8.101 0.02 . 1 . . . . . . . . 5485 1 128 . 1 1 12 12 ASP CA C 13 54.792 0.1 . 1 . . . . . . . . 5485 1 129 . 1 1 12 12 ASP HA H 1 4.476 0.02 . 1 . . . . . . . . 5485 1 130 . 1 1 12 12 ASP CB C 13 39.650 0.1 . 1 . . . . . . . . 5485 1 131 . 1 1 12 12 ASP HB3 H 1 2.64 0.02 . 1 . . . . . . . . 5485 1 132 . 1 1 12 12 ASP HB2 H 1 2.64 0.02 . 1 . . . . . . . . 5485 1 133 . 1 1 13 13 THR N N 15 105.493 0.1 . 1 . . . . . . . . 5485 1 134 . 1 1 13 13 THR H H 1 7.856 0.02 . 1 . . . . . . . . 5485 1 135 . 1 1 13 13 THR CA C 13 60.082 0.1 . 1 . . . . . . . . 5485 1 136 . 1 1 13 13 THR HA H 1 4.695 0.02 . 1 . . . . . . . . 5485 1 137 . 1 1 13 13 THR CB C 13 70.013 0.1 . 1 . . . . . . . . 5485 1 138 . 1 1 13 13 THR HB H 1 4.416 0.02 . 1 . . . . . . . . 5485 1 139 . 1 1 13 13 THR HG21 H 1 1.167 0.02 . 1 . . . . . . . . 5485 1 140 . 1 1 13 13 THR HG22 H 1 1.167 0.02 . 1 . . . . . . . . 5485 1 141 . 1 1 13 13 THR HG23 H 1 1.167 0.02 . 1 . . . . . . . . 5485 1 142 . 1 1 14 14 GLY N N 15 115.130 0.1 . 1 . . . . . . . . 5485 1 143 . 1 1 14 14 GLY H H 1 7.856 0.02 . 1 . . . . . . . . 5485 1 144 . 1 1 14 14 GLY CA C 13 42.019 0.1 . 1 . . . . . . . . 5485 1 145 . 1 1 14 14 GLY HA3 H 1 4.224 0.02 . 2 . . . . . . . . 5485 1 146 . 1 1 14 14 GLY HA2 H 1 3.507 0.02 . 2 . . . . . . . . 5485 1 147 . 1 1 15 15 LYS N N 15 123.145 0.1 . 1 . . . . . . . . 5485 1 148 . 1 1 15 15 LYS H H 1 9.292 0.02 . 1 . . . . . . . . 5485 1 149 . 1 1 15 15 LYS CA C 13 54.275 0.1 . 1 . . . . . . . . 5485 1 150 . 1 1 15 15 LYS HA H 1 4.774 0.02 . 1 . . . . . . . . 5485 1 151 . 1 1 15 15 LYS CB C 13 33.302 0.1 . 1 . . . . . . . . 5485 1 152 . 1 1 15 15 LYS HB3 H 1 1.59 0.02 . 2 . . . . . . . . 5485 1 153 . 1 1 15 15 LYS HB2 H 1 1.749 0.02 . 2 . . . . . . . . 5485 1 154 . 1 1 15 15 LYS CG C 13 22.812 0.1 . 1 . . . . . . . . 5485 1 155 . 1 1 15 15 LYS HG3 H 1 1.09 0.02 . 2 . . . . . . . . 5485 1 156 . 1 1 15 15 LYS HG2 H 1 1.336 0.02 . 2 . . . . . . . . 5485 1 157 . 1 1 15 15 LYS CD C 13 26.72 0.1 . 1 . . . . . . . . 5485 1 158 . 1 1 15 15 LYS CE C 13 40.00 0.1 . 1 . . . . . . . . 5485 1 159 . 1 1 15 15 LYS HE3 H 1 2.893 0.02 . 1 . . . . . . . . 5485 1 160 . 1 1 15 15 LYS HE2 H 1 2.893 0.02 . 1 . . . . . . . . 5485 1 161 . 1 1 16 16 ILE N N 15 124.897 0.1 . 1 . . . . . . . . 5485 1 162 . 1 1 16 16 ILE H H 1 8.799 0.02 . 1 . . . . . . . . 5485 1 163 . 1 1 16 16 ILE CA C 13 56.725 0.1 . 1 . . . . . . . . 5485 1 164 . 1 1 16 16 ILE HA H 1 4.983 0.02 . 1 . . . . . . . . 5485 1 165 . 1 1 16 16 ILE CB C 13 38.621 0.1 . 1 . . . . . . . . 5485 1 166 . 1 1 16 16 ILE HB H 1 1.729 0.02 . 1 . . . . . . . . 5485 1 167 . 1 1 16 16 ILE CG1 C 13 24.84 0.1 . 1 . . . . . . . . 5485 1 168 . 1 1 16 16 ILE HG13 H 1 1.001 0.02 . 2 . . . . . . . . 5485 1 169 . 1 1 16 16 ILE HG12 H 1 1.304 0.02 . 2 . . . . . . . . 5485 1 170 . 1 1 16 16 ILE CG2 C 13 16.387 0.1 . 1 . . . . . . . . 5485 1 171 . 1 1 16 16 ILE HG21 H 1 0.677 0.02 . 1 . . . . . . . . 5485 1 172 . 1 1 16 16 ILE HG22 H 1 0.677 0.02 . 1 . . . . . . . . 5485 1 173 . 1 1 16 16 ILE HG23 H 1 0.677 0.02 . 1 . . . . . . . . 5485 1 174 . 1 1 16 16 ILE CD1 C 13 12.60 0.1 . 1 . . . . . . . . 5485 1 175 . 1 1 16 16 ILE HD11 H 1 0.647 0.02 . 1 . . . . . . . . 5485 1 176 . 1 1 16 16 ILE HD12 H 1 0.647 0.02 . 1 . . . . . . . . 5485 1 177 . 1 1 16 16 ILE HD13 H 1 0.647 0.02 . 1 . . . . . . . . 5485 1 178 . 1 1 17 17 VAL N N 15 122.071 0.1 . 1 . . . . . . . . 5485 1 179 . 1 1 17 17 VAL H H 1 8.744 0.02 . 1 . . . . . . . . 5485 1 180 . 1 1 17 17 VAL CA C 13 58.839 0.1 . 1 . . . . . . . . 5485 1 181 . 1 1 17 17 VAL HA H 1 4.436 0.02 . 1 . . . . . . . . 5485 1 182 . 1 1 17 17 VAL CB C 13 32.221 0.1 . 1 . . . . . . . . 5485 1 183 . 1 1 17 17 VAL HB H 1 1.68 0.02 . 1 . . . . . . . . 5485 1 184 . 1 1 17 17 VAL CG1 C 13 19.8 0.1 . 1 . . . . . . . . 5485 1 185 . 1 1 17 17 VAL HG11 H 1 0.792 0.02 . 1 . . . . . . . . 5485 1 186 . 1 1 17 17 VAL HG12 H 1 0.792 0.02 . 1 . . . . . . . . 5485 1 187 . 1 1 17 17 VAL HG13 H 1 0.792 0.02 . 1 . . . . . . . . 5485 1 188 . 1 1 17 17 VAL CG2 C 13 18.24 0.1 . 1 . . . . . . . . 5485 1 189 . 1 1 17 17 VAL HG21 H 1 0.591 0.02 . 1 . . . . . . . . 5485 1 190 . 1 1 17 17 VAL HG22 H 1 0.591 0.02 . 1 . . . . . . . . 5485 1 191 . 1 1 17 17 VAL HG23 H 1 0.591 0.02 . 1 . . . . . . . . 5485 1 192 . 1 1 18 18 MET N N 15 123.767 0.1 . 1 . . . . . . . . 5485 1 193 . 1 1 18 18 MET H H 1 8.905 0.02 . 1 . . . . . . . . 5485 1 194 . 1 1 18 18 MET CA C 13 54.265 0.1 . 1 . . . . . . . . 5485 1 195 . 1 1 18 18 MET HA H 1 4.437 0.02 . 1 . . . . . . . . 5485 1 196 . 1 1 18 18 MET CB C 13 33.887 0.1 . 1 . . . . . . . . 5485 1 197 . 1 1 18 18 MET HB3 H 1 1.968 0.02 . 2 . . . . . . . . 5485 1 198 . 1 1 18 18 MET HB2 H 1 2.167 0.02 . 2 . . . . . . . . 5485 1 199 . 1 1 18 18 MET CG C 13 31.251 0.1 . 1 . . . . . . . . 5485 1 200 . 1 1 18 18 MET HG3 H 1 2.404 0.02 . 2 . . . . . . . . 5485 1 201 . 1 1 18 18 MET HG2 H 1 2.448 0.02 . 2 . . . . . . . . 5485 1 202 . 1 1 19 19 GLY N N 15 109.853 0.1 . 1 . . . . . . . . 5485 1 203 . 1 1 19 19 GLY H H 1 8.376 0.02 . 1 . . . . . . . . 5485 1 204 . 1 1 19 19 GLY CA C 13 43.006 0.1 . 1 . . . . . . . . 5485 1 205 . 1 1 19 19 GLY HA3 H 1 4.878 0.02 . 2 . . . . . . . . 5485 1 206 . 1 1 19 19 GLY HA2 H 1 4.188 0.02 . 2 . . . . . . . . 5485 1 207 . 1 1 20 20 ALA N N 15 128.655 0.1 . 1 . . . . . . . . 5485 1 208 . 1 1 20 20 ALA H H 1 9.593 0.02 . 1 . . . . . . . . 5485 1 209 . 1 1 20 20 ALA CA C 13 54.578 0.1 . 1 . . . . . . . . 5485 1 210 . 1 1 20 20 ALA HA H 1 3.815 0.02 . 1 . . . . . . . . 5485 1 211 . 1 1 20 20 ALA CB C 13 17.197 0.1 . 1 . . . . . . . . 5485 1 212 . 1 1 20 20 ALA HB1 H 1 1.521 0.02 . 1 . . . . . . . . 5485 1 213 . 1 1 20 20 ALA HB2 H 1 1.521 0.02 . 1 . . . . . . . . 5485 1 214 . 1 1 20 20 ALA HB3 H 1 1.521 0.02 . 1 . . . . . . . . 5485 1 215 . 1 1 21 21 ARG N N 15 117.445 0.1 . 1 . . . . . . . . 5485 1 216 . 1 1 21 21 ARG H H 1 8.775 0.02 . 1 . . . . . . . . 5485 1 217 . 1 1 21 21 ARG CA C 13 58.298 0.1 . 1 . . . . . . . . 5485 1 218 . 1 1 21 21 ARG HA H 1 3.89 0.02 . 1 . . . . . . . . 5485 1 219 . 1 1 21 21 ARG CB C 13 27.195 0.1 . 1 . . . . . . . . 5485 1 220 . 1 1 21 21 ARG HB3 H 1 1.921 0.02 . 2 . . . . . . . . 5485 1 221 . 1 1 21 21 ARG HB2 H 1 1.798 0.02 . 2 . . . . . . . . 5485 1 222 . 1 1 21 21 ARG CG C 13 25.312 0.1 . 1 . . . . . . . . 5485 1 223 . 1 1 21 21 ARG HG3 H 1 1.750 0.02 . 2 . . . . . . . . 5485 1 224 . 1 1 21 21 ARG HG2 H 1 1.601 0.02 . 2 . . . . . . . . 5485 1 225 . 1 1 21 21 ARG CD C 13 41.094 0.1 . 1 . . . . . . . . 5485 1 226 . 1 1 22 22 LYS N N 15 118.188 0.1 . 1 . . . . . . . . 5485 1 227 . 1 1 22 22 LYS H H 1 8.471 0.02 . 1 . . . . . . . . 5485 1 228 . 1 1 22 22 LYS CA C 13 56.998 0.1 . 1 . . . . . . . . 5485 1 229 . 1 1 22 22 LYS HA H 1 4.035 0.02 . 1 . . . . . . . . 5485 1 230 . 1 1 22 22 LYS CB C 13 30.479 0.1 . 1 . . . . . . . . 5485 1 231 . 1 1 22 22 LYS HB3 H 1 1.576 0.02 . 1 . . . . . . . . 5485 1 232 . 1 1 22 22 LYS HB2 H 1 1.576 0.02 . 1 . . . . . . . . 5485 1 233 . 1 1 22 22 LYS CG C 13 25.685 0.1 . 1 . . . . . . . . 5485 1 234 . 1 1 22 22 LYS HG3 H 1 1.550 0.02 . 2 . . . . . . . . 5485 1 235 . 1 1 22 22 LYS HG2 H 1 1.695 0.02 . 2 . . . . . . . . 5485 1 236 . 1 1 22 22 LYS CD C 13 27.656 0.1 . 1 . . . . . . . . 5485 1 237 . 1 1 22 22 LYS HD3 H 1 1.908 0.02 . 1 . . . . . . . . 5485 1 238 . 1 1 22 22 LYS HD2 H 1 1.908 0.02 . 1 . . . . . . . . 5485 1 239 . 1 1 22 22 LYS CE C 13 41.406 0.1 . 1 . . . . . . . . 5485 1 240 . 1 1 22 22 LYS HE3 H 1 3.179 0.02 . 1 . . . . . . . . 5485 1 241 . 1 1 22 22 LYS HE2 H 1 3.179 0.02 . 1 . . . . . . . . 5485 1 242 . 1 1 23 23 SER N N 15 116.33 0.1 . 1 . . . . . . . . 5485 1 243 . 1 1 23 23 SER H H 1 8.004 0.02 . 1 . . . . . . . . 5485 1 244 . 1 1 23 23 SER CA C 13 63.086 0.1 . 1 . . . . . . . . 5485 1 245 . 1 1 23 23 SER HA H 1 3.953 0.02 . 1 . . . . . . . . 5485 1 246 . 1 1 23 23 SER CB C 13 60.732 0.1 . 1 . . . . . . . . 5485 1 247 . 1 1 23 23 SER HB3 H 1 3.343 0.02 . 1 . . . . . . . . 5485 1 248 . 1 1 23 23 SER HB2 H 1 3.343 0.02 . 1 . . . . . . . . 5485 1 249 . 1 1 24 24 ILE N N 15 121.602 0.1 . 1 . . . . . . . . 5485 1 250 . 1 1 24 24 ILE H H 1 8.331 0.02 . 1 . . . . . . . . 5485 1 251 . 1 1 24 24 ILE CA C 13 64.184 0.1 . 1 . . . . . . . . 5485 1 252 . 1 1 24 24 ILE HA H 1 3.448 0.02 . 1 . . . . . . . . 5485 1 253 . 1 1 24 24 ILE CB C 13 35.886 0.1 . 1 . . . . . . . . 5485 1 254 . 1 1 24 24 ILE HB H 1 1.834 0.02 . 4 . . . . . . . . 5485 1 255 . 1 1 24 24 ILE CG1 C 13 29.84 0.1 . 1 . . . . . . . . 5485 1 256 . 1 1 24 24 ILE HG13 H 1 1.834 0.02 . 4 . . . . . . . . 5485 1 257 . 1 1 24 24 ILE HG12 H 1 0.847 0.02 . 2 . . . . . . . . 5485 1 258 . 1 1 24 24 ILE CG2 C 13 15.657 0.1 . 1 . . . . . . . . 5485 1 259 . 1 1 24 24 ILE HG21 H 1 0.788 0.02 . 1 . . . . . . . . 5485 1 260 . 1 1 24 24 ILE HG22 H 1 0.788 0.02 . 1 . . . . . . . . 5485 1 261 . 1 1 24 24 ILE HG23 H 1 0.788 0.02 . 1 . . . . . . . . 5485 1 262 . 1 1 24 24 ILE CD1 C 13 12.565 0.1 . 1 . . . . . . . . 5485 1 263 . 1 1 24 24 ILE HD11 H 1 0.992 0.02 . 1 . . . . . . . . 5485 1 264 . 1 1 24 24 ILE HD12 H 1 0.992 0.02 . 1 . . . . . . . . 5485 1 265 . 1 1 24 24 ILE HD13 H 1 0.992 0.02 . 1 . . . . . . . . 5485 1 266 . 1 1 25 25 GLN N N 15 119.056 0.1 . 1 . . . . . . . . 5485 1 267 . 1 1 25 25 GLN H H 1 7.51 0.02 . 1 . . . . . . . . 5485 1 268 . 1 1 25 25 GLN CA C 13 57.454 0.1 . 1 . . . . . . . . 5485 1 269 . 1 1 25 25 GLN HA H 1 3.776 0.02 . 1 . . . . . . . . 5485 1 270 . 1 1 25 25 GLN CB C 13 25.947 0.1 . 1 . . . . . . . . 5485 1 271 . 1 1 25 25 GLN HB3 H 1 2.073 0.02 . 1 . . . . . . . . 5485 1 272 . 1 1 25 25 GLN HB2 H 1 2.073 0.02 . 1 . . . . . . . . 5485 1 273 . 1 1 25 25 GLN CG C 13 31.251 0.1 . 1 . . . . . . . . 5485 1 274 . 1 1 25 25 GLN HG3 H 1 2.295 0.02 . 2 . . . . . . . . 5485 1 275 . 1 1 25 25 GLN HG2 H 1 2.139 0.02 . 2 . . . . . . . . 5485 1 276 . 1 1 26 26 TYR N N 15 117.068 0.1 . 1 . . . . . . . . 5485 1 277 . 1 1 26 26 TYR H H 1 8.197 0.02 . 1 . . . . . . . . 5485 1 278 . 1 1 26 26 TYR CA C 13 60.591 0.1 . 1 . . . . . . . . 5485 1 279 . 1 1 26 26 TYR HA H 1 4.003 0.02 . 1 . . . . . . . . 5485 1 280 . 1 1 26 26 TYR CB C 13 36.047 0.1 . 1 . . . . . . . . 5485 1 281 . 1 1 26 26 TYR HB3 H 1 2.419 0.02 . 2 . . . . . . . . 5485 1 282 . 1 1 26 26 TYR HB2 H 1 2.773 0.02 . 2 . . . . . . . . 5485 1 283 . 1 1 26 26 TYR HD1 H 1 7.132 0.02 . 1 . . . . . . . . 5485 1 284 . 1 1 26 26 TYR HD2 H 1 7.132 0.02 . 1 . . . . . . . . 5485 1 285 . 1 1 26 26 TYR HE1 H 1 6.713 0.02 . 1 . . . . . . . . 5485 1 286 . 1 1 26 26 TYR HE2 H 1 6.713 0.02 . 1 . . . . . . . . 5485 1 287 . 1 1 27 27 ALA N N 15 121.913 0.1 . 1 . . . . . . . . 5485 1 288 . 1 1 27 27 ALA H H 1 8.253 0.02 . 1 . . . . . . . . 5485 1 289 . 1 1 27 27 ALA CA C 13 53.172 0.1 . 1 . . . . . . . . 5485 1 290 . 1 1 27 27 ALA HA H 1 3.894 0.02 . 1 . . . . . . . . 5485 1 291 . 1 1 27 27 ALA CB C 13 16.066 0.1 . 1 . . . . . . . . 5485 1 292 . 1 1 27 27 ALA HB1 H 1 1.412 0.02 . 1 . . . . . . . . 5485 1 293 . 1 1 27 27 ALA HB2 H 1 1.412 0.02 . 1 . . . . . . . . 5485 1 294 . 1 1 27 27 ALA HB3 H 1 1.412 0.02 . 1 . . . . . . . . 5485 1 295 . 1 1 28 28 LYS N N 15 116.751 0.1 . 1 . . . . . . . . 5485 1 296 . 1 1 28 28 LYS H H 1 8.287 0.02 . 1 . . . . . . . . 5485 1 297 . 1 1 28 28 LYS CA C 13 57.704 0.1 . 1 . . . . . . . . 5485 1 298 . 1 1 28 28 LYS HA H 1 3.828 0.02 . 1 . . . . . . . . 5485 1 299 . 1 1 28 28 LYS CB C 13 31.348 0.1 . 1 . . . . . . . . 5485 1 300 . 1 1 28 28 LYS HB3 H 1 1.297 0.02 . 2 . . . . . . . . 5485 1 301 . 1 1 28 28 LYS HB2 H 1 1.511 0.02 . 2 . . . . . . . . 5485 1 302 . 1 1 28 28 LYS CG C 13 23.281 0.1 . 1 . . . . . . . . 5485 1 303 . 1 1 28 28 LYS HG3 H 1 0.605 0.02 . 2 . . . . . . . . 5485 1 304 . 1 1 28 28 LYS HG2 H 1 0.986 0.02 . 2 . . . . . . . . 5485 1 305 . 1 1 28 28 LYS CD C 13 27.656 0.1 . 1 . . . . . . . . 5485 1 306 . 1 1 28 28 LYS HD3 H 1 1.192 0.02 . 2 . . . . . . . . 5485 1 307 . 1 1 28 28 LYS HD2 H 1 1.122 0.02 . 2 . . . . . . . . 5485 1 308 . 1 1 28 28 LYS CE C 13 39.844 0.1 . 1 . . . . . . . . 5485 1 309 . 1 1 28 28 LYS HE3 H 1 2.374 0.02 . 1 . . . . . . . . 5485 1 310 . 1 1 28 28 LYS HE2 H 1 2.374 0.02 . 1 . . . . . . . . 5485 1 311 . 1 1 29 29 MET N N 15 113.095 0.1 . 1 . . . . . . . . 5485 1 312 . 1 1 29 29 MET H H 1 7.828 0.02 . 1 . . . . . . . . 5485 1 313 . 1 1 29 29 MET CA C 13 53.456 0.1 . 1 . . . . . . . . 5485 1 314 . 1 1 29 29 MET HA H 1 4.419 0.02 . 1 . . . . . . . . 5485 1 315 . 1 1 29 29 MET CB C 13 30.968 0.1 . 1 . . . . . . . . 5485 1 316 . 1 1 29 29 MET HB3 H 1 1.997 0.02 . 1 . . . . . . . . 5485 1 317 . 1 1 29 29 MET HB2 H 1 1.997 0.02 . 1 . . . . . . . . 5485 1 318 . 1 1 29 29 MET CG C 13 29.795 0.1 . 1 . . . . . . . . 5485 1 319 . 1 1 29 29 MET HG3 H 1 2.495 0.02 . 1 . . . . . . . . 5485 1 320 . 1 1 29 29 MET HG2 H 1 2.495 0.02 . 1 . . . . . . . . 5485 1 321 . 1 1 30 30 GLY N N 15 108.885 0.1 . 1 . . . . . . . . 5485 1 322 . 1 1 30 30 GLY H H 1 7.995 0.02 . 1 . . . . . . . . 5485 1 323 . 1 1 30 30 GLY CA C 13 43.624 0.1 . 1 . . . . . . . . 5485 1 324 . 1 1 30 30 GLY HA3 H 1 4.337 0.02 . 2 . . . . . . . . 5485 1 325 . 1 1 30 30 GLY HA2 H 1 3.793 0.02 . 2 . . . . . . . . 5485 1 326 . 1 1 31 31 GLY N N 15 103.680 0.1 . 1 . . . . . . . . 5485 1 327 . 1 1 31 31 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 5485 1 328 . 1 1 31 31 GLY CA C 13 43.616 0.1 . 1 . . . . . . . . 5485 1 329 . 1 1 31 31 GLY HA3 H 1 4.039 0.02 . 1 . . . . . . . . 5485 1 330 . 1 1 31 31 GLY HA2 H 1 4.039 0.02 . 1 . . . . . . . . 5485 1 331 . 1 1 32 32 ALA N N 15 116.904 0.1 . 1 . . . . . . . . 5485 1 332 . 1 1 32 32 ALA H H 1 6.902 0.02 . 1 . . . . . . . . 5485 1 333 . 1 1 32 32 ALA CA C 13 48.110 0.1 . 1 . . . . . . . . 5485 1 334 . 1 1 32 32 ALA HA H 1 4.619 0.02 . 1 . . . . . . . . 5485 1 335 . 1 1 32 32 ALA CB C 13 19.529 0.1 . 1 . . . . . . . . 5485 1 336 . 1 1 32 32 ALA HB1 H 1 0.98 0.02 . 1 . . . . . . . . 5485 1 337 . 1 1 32 32 ALA HB2 H 1 0.98 0.02 . 1 . . . . . . . . 5485 1 338 . 1 1 32 32 ALA HB3 H 1 0.98 0.02 . 1 . . . . . . . . 5485 1 339 . 1 1 33 33 LYS N N 15 115.903 0.1 . 1 . . . . . . . . 5485 1 340 . 1 1 33 33 LYS H H 1 8.489 0.02 . 1 . . . . . . . . 5485 1 341 . 1 1 33 33 LYS CA C 13 53.733 0.1 . 1 . . . . . . . . 5485 1 342 . 1 1 33 33 LYS HA H 1 4.414 0.02 . 1 . . . . . . . . 5485 1 343 . 1 1 33 33 LYS CB C 13 32.701 0.1 . 1 . . . . . . . . 5485 1 344 . 1 1 33 33 LYS HB3 H 1 1.26 0.02 . 2 . . . . . . . . 5485 1 345 . 1 1 33 33 LYS HB2 H 1 1.923 0.02 . 2 . . . . . . . . 5485 1 346 . 1 1 33 33 LYS CG C 13 22.50 0.1 . 1 . . . . . . . . 5485 1 347 . 1 1 33 33 LYS HG3 H 1 1.468 0.02 . 1 . . . . . . . . 5485 1 348 . 1 1 33 33 LYS HG2 H 1 1.468 0.02 . 1 . . . . . . . . 5485 1 349 . 1 1 33 33 LYS CD C 13 30.938 0.1 . 1 . . . . . . . . 5485 1 350 . 1 1 33 33 LYS HD3 H 1 1.711 0.02 . 2 . . . . . . . . 5485 1 351 . 1 1 33 33 LYS HD2 H 1 1.847 0.02 . 2 . . . . . . . . 5485 1 352 . 1 1 33 33 LYS CE C 13 40.383 0.1 . 1 . . . . . . . . 5485 1 353 . 1 1 33 33 LYS HE3 H 1 2.982 0.02 . 1 . . . . . . . . 5485 1 354 . 1 1 33 33 LYS HE2 H 1 2.982 0.02 . 1 . . . . . . . . 5485 1 355 . 1 1 34 34 LEU N N 15 116.384 0.1 . 1 . . . . . . . . 5485 1 356 . 1 1 34 34 LEU H H 1 7.014 0.02 . 1 . . . . . . . . 5485 1 357 . 1 1 34 34 LEU CA C 13 53.273 0.1 . 1 . . . . . . . . 5485 1 358 . 1 1 34 34 LEU HA H 1 4.513 0.02 . 1 . . . . . . . . 5485 1 359 . 1 1 34 34 LEU CB C 13 44.112 0.1 . 1 . . . . . . . . 5485 1 360 . 1 1 34 34 LEU HB3 H 1 1.032 0.02 . 2 . . . . . . . . 5485 1 361 . 1 1 34 34 LEU HB2 H 1 1.687 0.02 . 2 . . . . . . . . 5485 1 362 . 1 1 34 34 LEU CG C 13 26.02 0.1 . 1 . . . . . . . . 5485 1 363 . 1 1 34 34 LEU HG H 1 1.287 0.02 . 1 . . . . . . . . 5485 1 364 . 1 1 34 34 LEU CD1 C 13 21.45 0.1 . 1 . . . . . . . . 5485 1 365 . 1 1 34 34 LEU HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5485 1 366 . 1 1 34 34 LEU HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5485 1 367 . 1 1 34 34 LEU HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5485 1 368 . 1 1 34 34 LEU CD2 C 13 26.44 0.1 . 1 . . . . . . . . 5485 1 369 . 1 1 34 34 LEU HD21 H 1 0.625 0.02 . 1 . . . . . . . . 5485 1 370 . 1 1 34 34 LEU HD22 H 1 0.625 0.02 . 1 . . . . . . . . 5485 1 371 . 1 1 34 34 LEU HD23 H 1 0.625 0.02 . 1 . . . . . . . . 5485 1 372 . 1 1 35 35 ILE N N 15 127.695 0.1 . 1 . . . . . . . . 5485 1 373 . 1 1 35 35 ILE H H 1 8.614 0.02 . 1 . . . . . . . . 5485 1 374 . 1 1 35 35 ILE CA C 13 57.746 0.1 . 1 . . . . . . . . 5485 1 375 . 1 1 35 35 ILE HA H 1 4.907 0.02 . 1 . . . . . . . . 5485 1 376 . 1 1 35 35 ILE CB C 13 37.801 0.1 . 1 . . . . . . . . 5485 1 377 . 1 1 35 35 ILE HB H 1 1.633 0.02 . 1 . . . . . . . . 5485 1 378 . 1 1 35 35 ILE CG1 C 13 26.368 0.1 . 1 . . . . . . . . 5485 1 379 . 1 1 35 35 ILE HG13 H 1 1.067 0.02 . 2 . . . . . . . . 5485 1 380 . 1 1 35 35 ILE HG12 H 1 1.364 0.02 . 2 . . . . . . . . 5485 1 381 . 1 1 35 35 ILE CG2 C 13 15.932 0.1 . 1 . . . . . . . . 5485 1 382 . 1 1 35 35 ILE HG21 H 1 0.902 0.02 . 1 . . . . . . . . 5485 1 383 . 1 1 35 35 ILE HG22 H 1 0.902 0.02 . 1 . . . . . . . . 5485 1 384 . 1 1 35 35 ILE HG23 H 1 0.902 0.02 . 1 . . . . . . . . 5485 1 385 . 1 1 35 35 ILE CD1 C 13 11.421 0.1 . 1 . . . . . . . . 5485 1 386 . 1 1 35 35 ILE HD11 H 1 0.716 0.02 . 1 . . . . . . . . 5485 1 387 . 1 1 35 35 ILE HD12 H 1 0.716 0.02 . 1 . . . . . . . . 5485 1 388 . 1 1 35 35 ILE HD13 H 1 0.716 0.02 . 1 . . . . . . . . 5485 1 389 . 1 1 36 36 ILE N N 15 127.190 0.1 . 1 . . . . . . . . 5485 1 390 . 1 1 36 36 ILE H H 1 9.015 0.02 . 1 . . . . . . . . 5485 1 391 . 1 1 36 36 ILE CA C 13 57.626 0.1 . 1 . . . . . . . . 5485 1 392 . 1 1 36 36 ILE HA H 1 5.489 0.02 . 1 . . . . . . . . 5485 1 393 . 1 1 36 36 ILE CB C 13 38.845 0.1 . 1 . . . . . . . . 5485 1 394 . 1 1 36 36 ILE HB H 1 1.539 0.02 . 1 . . . . . . . . 5485 1 395 . 1 1 36 36 ILE CG1 C 13 26.718 0.1 . 1 . . . . . . . . 5485 1 396 . 1 1 36 36 ILE HG13 H 1 1.232 0.02 . 1 . . . . . . . . 5485 1 397 . 1 1 36 36 ILE HG12 H 1 1.232 0.02 . 1 . . . . . . . . 5485 1 398 . 1 1 36 36 ILE CG2 C 13 16.237 0.1 . 1 . . . . . . . . 5485 1 399 . 1 1 36 36 ILE HG21 H 1 1.009 0.02 . 1 . . . . . . . . 5485 1 400 . 1 1 36 36 ILE HG22 H 1 1.009 0.02 . 1 . . . . . . . . 5485 1 401 . 1 1 36 36 ILE HG23 H 1 1.009 0.02 . 1 . . . . . . . . 5485 1 402 . 1 1 36 36 ILE CD1 C 13 12.89 0.1 . 1 . . . . . . . . 5485 1 403 . 1 1 36 36 ILE HD11 H 1 0.793 0.02 . 1 . . . . . . . . 5485 1 404 . 1 1 36 36 ILE HD12 H 1 0.793 0.02 . 1 . . . . . . . . 5485 1 405 . 1 1 36 36 ILE HD13 H 1 0.793 0.02 . 1 . . . . . . . . 5485 1 406 . 1 1 37 37 VAL N N 15 122.098 0.1 . 1 . . . . . . . . 5485 1 407 . 1 1 37 37 VAL H H 1 8.575 0.02 . 1 . . . . . . . . 5485 1 408 . 1 1 37 37 VAL CA C 13 56.861 0.1 . 1 . . . . . . . . 5485 1 409 . 1 1 37 37 VAL HA H 1 4.953 0.02 . 1 . . . . . . . . 5485 1 410 . 1 1 37 37 VAL CB C 13 33.563 0.1 . 1 . . . . . . . . 5485 1 411 . 1 1 37 37 VAL HB H 1 1.866 0.02 . 1 . . . . . . . . 5485 1 412 . 1 1 37 37 VAL CG1 C 13 19.613 0.1 . 1 . . . . . . . . 5485 1 413 . 1 1 37 37 VAL HG11 H 1 0.919 0.02 . 1 . . . . . . . . 5485 1 414 . 1 1 37 37 VAL HG12 H 1 0.919 0.02 . 1 . . . . . . . . 5485 1 415 . 1 1 37 37 VAL HG13 H 1 0.919 0.02 . 1 . . . . . . . . 5485 1 416 . 1 1 37 37 VAL CG2 C 13 19.57 0.1 . 1 . . . . . . . . 5485 1 417 . 1 1 37 37 VAL HG21 H 1 0.926 0.02 . 1 . . . . . . . . 5485 1 418 . 1 1 37 37 VAL HG22 H 1 0.926 0.02 . 1 . . . . . . . . 5485 1 419 . 1 1 37 37 VAL HG23 H 1 0.926 0.02 . 1 . . . . . . . . 5485 1 420 . 1 1 38 38 ALA N N 15 126.976 0.1 . 1 . . . . . . . . 5485 1 421 . 1 1 38 38 ALA H H 1 8.6 0.02 . 1 . . . . . . . . 5485 1 422 . 1 1 38 38 ALA CA C 13 50.681 0.1 . 1 . . . . . . . . 5485 1 423 . 1 1 38 38 ALA HA H 1 4.591 0.02 . 1 . . . . . . . . 5485 1 424 . 1 1 38 38 ALA CB C 13 17.011 0.1 . 1 . . . . . . . . 5485 1 425 . 1 1 38 38 ALA HB1 H 1 1.576 0.02 . 1 . . . . . . . . 5485 1 426 . 1 1 38 38 ALA HB2 H 1 1.576 0.02 . 1 . . . . . . . . 5485 1 427 . 1 1 38 38 ALA HB3 H 1 1.576 0.02 . 1 . . . . . . . . 5485 1 428 . 1 1 39 39 ARG N N 15 121.526 0.1 . 1 . . . . . . . . 5485 1 429 . 1 1 39 39 ARG H H 1 8.211 0.02 . 1 . . . . . . . . 5485 1 430 . 1 1 39 39 ARG CA C 13 57.367 0.1 . 1 . . . . . . . . 5485 1 431 . 1 1 39 39 ARG HA H 1 3.975 0.02 . 1 . . . . . . . . 5485 1 432 . 1 1 39 39 ARG CB C 13 27.814 0.1 . 1 . . . . . . . . 5485 1 433 . 1 1 39 39 ARG HB3 H 1 1.529 0.02 . 2 . . . . . . . . 5485 1 434 . 1 1 39 39 ARG HB2 H 1 1.986 0.02 . 2 . . . . . . . . 5485 1 435 . 1 1 39 39 ARG CG C 13 24.375 0.1 . 1 . . . . . . . . 5485 1 436 . 1 1 39 39 ARG HG3 H 1 1.529 0.02 . 1 . . . . . . . . 5485 1 437 . 1 1 39 39 ARG HG2 H 1 1.529 0.02 . 1 . . . . . . . . 5485 1 438 . 1 1 39 39 ARG CD C 13 41.562 0.1 . 1 . . . . . . . . 5485 1 439 . 1 1 39 39 ARG HD3 H 1 3.037 0.02 . 1 . . . . . . . . 5485 1 440 . 1 1 39 39 ARG HD2 H 1 3.037 0.02 . 1 . . . . . . . . 5485 1 441 . 1 1 40 40 ASN N N 15 112.114 0.1 . 1 . . . . . . . . 5485 1 442 . 1 1 40 40 ASN H H 1 7.701 0.02 . 1 . . . . . . . . 5485 1 443 . 1 1 40 40 ASN CA C 13 49.680 0.1 . 1 . . . . . . . . 5485 1 444 . 1 1 40 40 ASN HA H 1 4.919 0.02 . 1 . . . . . . . . 5485 1 445 . 1 1 40 40 ASN CB C 13 35.212 0.1 . 1 . . . . . . . . 5485 1 446 . 1 1 40 40 ASN HB3 H 1 2.554 0.02 . 2 . . . . . . . . 5485 1 447 . 1 1 40 40 ASN HB2 H 1 3.188 0.02 . 2 . . . . . . . . 5485 1 448 . 1 1 41 41 ALA N N 15 122.292 0.1 . 1 . . . . . . . . 5485 1 449 . 1 1 41 41 ALA H H 1 7.277 0.02 . 1 . . . . . . . . 5485 1 450 . 1 1 41 41 ALA CA C 13 50.722 0.1 . 1 . . . . . . . . 5485 1 451 . 1 1 41 41 ALA HA H 1 4.211 0.02 . 1 . . . . . . . . 5485 1 452 . 1 1 41 41 ALA CB C 13 16.703 0.1 . 1 . . . . . . . . 5485 1 453 . 1 1 41 41 ALA HB1 H 1 1.396 0.02 . 1 . . . . . . . . 5485 1 454 . 1 1 41 41 ALA HB2 H 1 1.396 0.02 . 1 . . . . . . . . 5485 1 455 . 1 1 41 41 ALA HB3 H 1 1.396 0.02 . 1 . . . . . . . . 5485 1 456 . 1 1 42 42 ARG N N 15 122.505 0.1 . 1 . . . . . . . . 5485 1 457 . 1 1 42 42 ARG H H 1 8.418 0.02 . 1 . . . . . . . . 5485 1 458 . 1 1 42 42 ARG CA C 13 53.616 0.1 . 1 . . . . . . . . 5485 1 459 . 1 1 42 42 ARG HA H 1 4.349 0.02 . 1 . . . . . . . . 5485 1 460 . 1 1 42 42 ARG CB C 13 29.258 0.1 . 1 . . . . . . . . 5485 1 461 . 1 1 42 42 ARG HB3 H 1 1.762 0.02 . 2 . . . . . . . . 5485 1 462 . 1 1 42 42 ARG HB2 H 1 2.049 0.02 . 2 . . . . . . . . 5485 1 463 . 1 1 42 42 ARG CG C 13 25.468 0.1 . 1 . . . . . . . . 5485 1 464 . 1 1 42 42 ARG HG3 H 1 1.978 0.02 . 2 . . . . . . . . 5485 1 465 . 1 1 42 42 ARG HG2 H 1 1.822 0.02 . 2 . . . . . . . . 5485 1 466 . 1 1 42 42 ARG CD C 13 41.875 0.1 . 1 . . . . . . . . 5485 1 467 . 1 1 42 42 ARG HD3 H 1 3.316 0.02 . 1 . . . . . . . . 5485 1 468 . 1 1 42 42 ARG HD2 H 1 3.316 0.02 . 1 . . . . . . . . 5485 1 469 . 1 1 43 43 PRO CA C 13 64.502 0.1 . 1 . . . . . . . . 5485 1 470 . 1 1 43 43 PRO HA H 1 4.087 0.02 . 1 . . . . . . . . 5485 1 471 . 1 1 43 43 PRO CB C 13 30.105 0.1 . 1 . . . . . . . . 5485 1 472 . 1 1 43 43 PRO HB3 H 1 2.034 0.02 . 2 . . . . . . . . 5485 1 473 . 1 1 43 43 PRO HB2 H 1 2.406 0.02 . 2 . . . . . . . . 5485 1 474 . 1 1 43 43 PRO HG3 H 1 2.183 0.02 . 1 . . . . . . . . 5485 1 475 . 1 1 43 43 PRO HG2 H 1 2.183 0.02 . 1 . . . . . . . . 5485 1 476 . 1 1 43 43 PRO HD3 H 1 3.182 0.02 . 1 . . . . . . . . 5485 1 477 . 1 1 43 43 PRO HD2 H 1 3.182 0.02 . 1 . . . . . . . . 5485 1 478 . 1 1 44 44 ASP N N 15 113.539 0.1 . 1 . . . . . . . . 5485 1 479 . 1 1 44 44 ASP H H 1 8.637 0.02 . 1 . . . . . . . . 5485 1 480 . 1 1 44 44 ASP CA C 13 54.365 0.1 . 1 . . . . . . . . 5485 1 481 . 1 1 44 44 ASP HA H 1 4.313 0.02 . 1 . . . . . . . . 5485 1 482 . 1 1 44 44 ASP CB C 13 37.147 0.1 . 1 . . . . . . . . 5485 1 483 . 1 1 44 44 ASP HB3 H 1 2.647 0.02 . 2 . . . . . . . . 5485 1 484 . 1 1 44 44 ASP HB2 H 1 2.586 0.02 . 2 . . . . . . . . 5485 1 485 . 1 1 45 45 ILE N N 15 121.329 0.1 . 1 . . . . . . . . 5485 1 486 . 1 1 45 45 ILE H H 1 7.148 0.02 . 1 . . . . . . . . 5485 1 487 . 1 1 45 45 ILE CA C 13 61.817 0.1 . 1 . . . . . . . . 5485 1 488 . 1 1 45 45 ILE HA H 1 3.872 0.02 . 1 . . . . . . . . 5485 1 489 . 1 1 45 45 ILE CB C 13 35.501 0.1 . 1 . . . . . . . . 5485 1 490 . 1 1 45 45 ILE HB H 1 2.093 0.02 . 1 . . . . . . . . 5485 1 491 . 1 1 45 45 ILE CG1 C 13 26.414 0.1 . 1 . . . . . . . . 5485 1 492 . 1 1 45 45 ILE HG13 H 1 1.144 0.02 . 2 . . . . . . . . 5485 1 493 . 1 1 45 45 ILE HG12 H 1 1.585 0.02 . 2 . . . . . . . . 5485 1 494 . 1 1 45 45 ILE CG2 C 13 15.5 0.1 . 1 . . . . . . . . 5485 1 495 . 1 1 45 45 ILE HG21 H 1 0.809 0.02 . 1 . . . . . . . . 5485 1 496 . 1 1 45 45 ILE HG22 H 1 0.809 0.02 . 1 . . . . . . . . 5485 1 497 . 1 1 45 45 ILE HG23 H 1 0.809 0.02 . 1 . . . . . . . . 5485 1 498 . 1 1 45 45 ILE CD1 C 13 10.89 0.1 . 1 . . . . . . . . 5485 1 499 . 1 1 45 45 ILE HD11 H 1 0.856 0.02 . 1 . . . . . . . . 5485 1 500 . 1 1 45 45 ILE HD12 H 1 0.856 0.02 . 1 . . . . . . . . 5485 1 501 . 1 1 45 45 ILE HD13 H 1 0.856 0.02 . 1 . . . . . . . . 5485 1 502 . 1 1 46 46 LYS N N 15 118.238 0.1 . 1 . . . . . . . . 5485 1 503 . 1 1 46 46 LYS H H 1 7.761 0.02 . 1 . . . . . . . . 5485 1 504 . 1 1 46 46 LYS CA C 13 59.174 0.1 . 1 . . . . . . . . 5485 1 505 . 1 1 46 46 LYS HA H 1 3.65 0.02 . 1 . . . . . . . . 5485 1 506 . 1 1 46 46 LYS CB C 13 30.567 0.1 . 1 . . . . . . . . 5485 1 507 . 1 1 46 46 LYS HB3 H 1 1.747 0.02 . 2 . . . . . . . . 5485 1 508 . 1 1 46 46 LYS HB2 H 1 1.854 0.02 . 2 . . . . . . . . 5485 1 509 . 1 1 46 46 LYS CG C 13 24.062 0.1 . 1 . . . . . . . . 5485 1 510 . 1 1 46 46 LYS HG3 H 1 1.201 0.02 . 2 . . . . . . . . 5485 1 511 . 1 1 46 46 LYS HG2 H 1 1.387 0.02 . 2 . . . . . . . . 5485 1 512 . 1 1 46 46 LYS CD C 13 27.968 0.1 . 1 . . . . . . . . 5485 1 513 . 1 1 46 46 LYS HD3 H 1 1.654 0.02 . 1 . . . . . . . . 5485 1 514 . 1 1 46 46 LYS HD2 H 1 1.654 0.02 . 1 . . . . . . . . 5485 1 515 . 1 1 46 46 LYS CE C 13 39.844 0.1 . 1 . . . . . . . . 5485 1 516 . 1 1 46 46 LYS HE3 H 1 2.980 0.02 . 2 . . . . . . . . 5485 1 517 . 1 1 46 46 LYS HE2 H 1 2.892 0.02 . 2 . . . . . . . . 5485 1 518 . 1 1 47 47 GLU N N 15 116.790 0.1 . 1 . . . . . . . . 5485 1 519 . 1 1 47 47 GLU H H 1 8.185 0.02 . 1 . . . . . . . . 5485 1 520 . 1 1 47 47 GLU CA C 13 57.462 0.1 . 1 . . . . . . . . 5485 1 521 . 1 1 47 47 GLU HA H 1 3.987 0.02 . 1 . . . . . . . . 5485 1 522 . 1 1 47 47 GLU CB C 13 27.340 0.1 . 1 . . . . . . . . 5485 1 523 . 1 1 47 47 GLU HB3 H 1 2.017 0.02 . 2 . . . . . . . . 5485 1 524 . 1 1 47 47 GLU HB2 H 1 2.337 0.02 . 2 . . . . . . . . 5485 1 525 . 1 1 47 47 GLU CG C 13 34.063 0.1 . 1 . . . . . . . . 5485 1 526 . 1 1 47 47 GLU HG3 H 1 2.371 0.02 . 2 . . . . . . . . 5485 1 527 . 1 1 47 47 GLU HG2 H 1 2.280 0.02 . 2 . . . . . . . . 5485 1 528 . 1 1 48 48 ASP N N 15 121.028 0.1 . 1 . . . . . . . . 5485 1 529 . 1 1 48 48 ASP H H 1 7.881 0.02 . 1 . . . . . . . . 5485 1 530 . 1 1 48 48 ASP CA C 13 55.818 0.1 . 1 . . . . . . . . 5485 1 531 . 1 1 48 48 ASP HA H 1 4.543 0.02 . 1 . . . . . . . . 5485 1 532 . 1 1 48 48 ASP CB C 13 38.315 0.1 . 1 . . . . . . . . 5485 1 533 . 1 1 48 48 ASP HB3 H 1 2.586 0.02 . 2 . . . . . . . . 5485 1 534 . 1 1 48 48 ASP HB2 H 1 2.913 0.02 . 2 . . . . . . . . 5485 1 535 . 1 1 49 49 ILE N N 15 118.570 0.1 . 1 . . . . . . . . 5485 1 536 . 1 1 49 49 ILE H H 1 8.37 0.02 . 1 . . . . . . . . 5485 1 537 . 1 1 49 49 ILE CA C 13 64.838 0.1 . 1 . . . . . . . . 5485 1 538 . 1 1 49 49 ILE HA H 1 3.446 0.02 . 1 . . . . . . . . 5485 1 539 . 1 1 49 49 ILE CB C 13 35.561 0.1 . 1 . . . . . . . . 5485 1 540 . 1 1 49 49 ILE HB H 1 1.911 0.02 . 4 . . . . . . . . 5485 1 541 . 1 1 49 49 ILE CG1 C 13 27.968 0.1 . 1 . . . . . . . . 5485 1 542 . 1 1 49 49 ILE HG13 H 1 1.911 0.02 . 4 . . . . . . . . 5485 1 543 . 1 1 49 49 ILE HG12 H 1 1.911 0.02 . 4 . . . . . . . . 5485 1 544 . 1 1 49 49 ILE CG2 C 13 16.385 0.1 . 1 . . . . . . . . 5485 1 545 . 1 1 49 49 ILE HG21 H 1 0.709 0.02 . 1 . . . . . . . . 5485 1 546 . 1 1 49 49 ILE HG22 H 1 0.709 0.02 . 1 . . . . . . . . 5485 1 547 . 1 1 49 49 ILE HG23 H 1 0.709 0.02 . 1 . . . . . . . . 5485 1 548 . 1 1 49 49 ILE CD1 C 13 12.669 0.1 . 1 . . . . . . . . 5485 1 549 . 1 1 49 49 ILE HD11 H 1 0.646 0.02 . 1 . . . . . . . . 5485 1 550 . 1 1 49 49 ILE HD12 H 1 0.646 0.02 . 1 . . . . . . . . 5485 1 551 . 1 1 49 49 ILE HD13 H 1 0.646 0.02 . 1 . . . . . . . . 5485 1 552 . 1 1 50 50 GLU N N 15 116.656 0.1 . 1 . . . . . . . . 5485 1 553 . 1 1 50 50 GLU H H 1 8.269 0.02 . 1 . . . . . . . . 5485 1 554 . 1 1 50 50 GLU CA C 13 58.124 0.1 . 1 . . . . . . . . 5485 1 555 . 1 1 50 50 GLU HA H 1 3.871 0.02 . 1 . . . . . . . . 5485 1 556 . 1 1 50 50 GLU CB C 13 26.962 0.1 . 1 . . . . . . . . 5485 1 557 . 1 1 50 50 GLU HB3 H 1 2.101 0.02 . 1 . . . . . . . . 5485 1 558 . 1 1 50 50 GLU HB2 H 1 2.101 0.02 . 1 . . . . . . . . 5485 1 559 . 1 1 50 50 GLU CG C 13 34.063 0.1 . 1 . . . . . . . . 5485 1 560 . 1 1 50 50 GLU HG3 H 1 2.487 0.02 . 2 . . . . . . . . 5485 1 561 . 1 1 50 50 GLU HG2 H 1 2.213 0.02 . 2 . . . . . . . . 5485 1 562 . 1 1 51 51 TYR N N 15 119.333 0.1 . 1 . . . . . . . . 5485 1 563 . 1 1 51 51 TYR H H 1 8.211 0.02 . 1 . . . . . . . . 5485 1 564 . 1 1 51 51 TYR CA C 13 59.418 0.1 . 1 . . . . . . . . 5485 1 565 . 1 1 51 51 TYR HA H 1 4.025 0.02 . 1 . . . . . . . . 5485 1 566 . 1 1 51 51 TYR CB C 13 36.514 0.1 . 1 . . . . . . . . 5485 1 567 . 1 1 51 51 TYR HB3 H 1 2.788 0.02 . 2 . . . . . . . . 5485 1 568 . 1 1 51 51 TYR HB2 H 1 3.126 0.02 . 2 . . . . . . . . 5485 1 569 . 1 1 51 51 TYR HD1 H 1 6.2 0.02 . 1 . . . . . . . . 5485 1 570 . 1 1 51 51 TYR HD2 H 1 6.2 0.02 . 1 . . . . . . . . 5485 1 571 . 1 1 51 51 TYR HE1 H 1 6.548 0.02 . 1 . . . . . . . . 5485 1 572 . 1 1 51 51 TYR HE2 H 1 6.548 0.02 . 1 . . . . . . . . 5485 1 573 . 1 1 52 52 TYR N N 15 115.828 0.1 . 1 . . . . . . . . 5485 1 574 . 1 1 52 52 TYR H H 1 8.232 0.02 . 1 . . . . . . . . 5485 1 575 . 1 1 52 52 TYR CA C 13 60.631 0.1 . 1 . . . . . . . . 5485 1 576 . 1 1 52 52 TYR HA H 1 4.012 0.02 . 1 . . . . . . . . 5485 1 577 . 1 1 52 52 TYR CB C 13 35.554 0.1 . 1 . . . . . . . . 5485 1 578 . 1 1 52 52 TYR HB3 H 1 2.677 0.02 . 2 . . . . . . . . 5485 1 579 . 1 1 52 52 TYR HB2 H 1 2.778 0.02 . 2 . . . . . . . . 5485 1 580 . 1 1 52 52 TYR HD1 H 1 7.399 0.02 . 1 . . . . . . . . 5485 1 581 . 1 1 52 52 TYR HD2 H 1 7.399 0.02 . 1 . . . . . . . . 5485 1 582 . 1 1 52 52 TYR HE1 H 1 6.946 0.02 . 1 . . . . . . . . 5485 1 583 . 1 1 52 52 TYR HE2 H 1 6.946 0.02 . 1 . . . . . . . . 5485 1 584 . 1 1 53 53 ALA N N 15 122.075 0.1 . 1 . . . . . . . . 5485 1 585 . 1 1 53 53 ALA H H 1 9.02 0.02 . 1 . . . . . . . . 5485 1 586 . 1 1 53 53 ALA CA C 13 53.893 0.1 . 1 . . . . . . . . 5485 1 587 . 1 1 53 53 ALA HA H 1 3.997 0.02 . 1 . . . . . . . . 5485 1 588 . 1 1 53 53 ALA CB C 13 16.059 0.1 . 1 . . . . . . . . 5485 1 589 . 1 1 53 53 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 5485 1 590 . 1 1 53 53 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5485 1 591 . 1 1 53 53 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5485 1 592 . 1 1 54 54 ARG N N 15 117.059 0.1 . 1 . . . . . . . . 5485 1 593 . 1 1 54 54 ARG H H 1 7.605 0.02 . 1 . . . . . . . . 5485 1 594 . 1 1 54 54 ARG CA C 13 57.242 0.1 . 1 . . . . . . . . 5485 1 595 . 1 1 54 54 ARG HA H 1 4.043 0.02 . 1 . . . . . . . . 5485 1 596 . 1 1 54 54 ARG CB C 13 27.471 0.1 . 1 . . . . . . . . 5485 1 597 . 1 1 54 54 ARG HB3 H 1 1.896 0.02 . 1 . . . . . . . . 5485 1 598 . 1 1 54 54 ARG HB2 H 1 1.896 0.02 . 1 . . . . . . . . 5485 1 599 . 1 1 54 54 ARG HG3 H 1 1.578 0.02 . 2 . . . . . . . . 5485 1 600 . 1 1 54 54 ARG HG2 H 1 1.689 0.02 . 2 . . . . . . . . 5485 1 601 . 1 1 54 54 ARG HD3 H 1 3.197 0.02 . 1 . . . . . . . . 5485 1 602 . 1 1 54 54 ARG HD2 H 1 3.197 0.02 . 1 . . . . . . . . 5485 1 603 . 1 1 55 55 LEU N N 15 119.294 0.1 . 1 . . . . . . . . 5485 1 604 . 1 1 55 55 LEU H H 1 7.272 0.02 . 1 . . . . . . . . 5485 1 605 . 1 1 55 55 LEU CA C 13 55.634 0.1 . 1 . . . . . . . . 5485 1 606 . 1 1 55 55 LEU HA H 1 4.012 0.02 . 1 . . . . . . . . 5485 1 607 . 1 1 55 55 LEU CB C 13 39.715 0.1 . 1 . . . . . . . . 5485 1 608 . 1 1 55 55 LEU HB3 H 1 1.507 0.02 . 2 . . . . . . . . 5485 1 609 . 1 1 55 55 LEU HB2 H 1 1.803 0.02 . 2 . . . . . . . . 5485 1 610 . 1 1 55 55 LEU HG H 1 1.507 0.02 . 2 . . . . . . . . 5485 1 611 . 1 1 55 55 LEU CD1 C 13 23.148 0.1 . 1 . . . . . . . . 5485 1 612 . 1 1 55 55 LEU HD11 H 1 0.594 0.02 . 1 . . . . . . . . 5485 1 613 . 1 1 55 55 LEU HD12 H 1 0.594 0.02 . 1 . . . . . . . . 5485 1 614 . 1 1 55 55 LEU HD13 H 1 0.594 0.02 . 1 . . . . . . . . 5485 1 615 . 1 1 55 55 LEU CD2 C 13 20.965 0.1 . 1 . . . . . . . . 5485 1 616 . 1 1 55 55 LEU HD21 H 1 0.7 0.02 . 1 . . . . . . . . 5485 1 617 . 1 1 55 55 LEU HD22 H 1 0.7 0.02 . 1 . . . . . . . . 5485 1 618 . 1 1 55 55 LEU HD23 H 1 0.7 0.02 . 1 . . . . . . . . 5485 1 619 . 1 1 56 56 SER N N 15 112.387 0.1 . 1 . . . . . . . . 5485 1 620 . 1 1 56 56 SER H H 1 7.901 0.02 . 1 . . . . . . . . 5485 1 621 . 1 1 56 56 SER CA C 13 56.276 0.1 . 1 . . . . . . . . 5485 1 622 . 1 1 56 56 SER HA H 1 4.479 0.02 . 1 . . . . . . . . 5485 1 623 . 1 1 56 56 SER CB C 13 62.571 0.1 . 1 . . . . . . . . 5485 1 624 . 1 1 56 56 SER HB3 H 1 3.95 0.02 . 1 . . . . . . . . 5485 1 625 . 1 1 56 56 SER HB2 H 1 3.95 0.02 . 1 . . . . . . . . 5485 1 626 . 1 1 57 57 GLY N N 15 111.893 0.1 . 1 . . . . . . . . 5485 1 627 . 1 1 57 57 GLY H H 1 7.912 0.02 . 1 . . . . . . . . 5485 1 628 . 1 1 57 57 GLY CA C 13 44.629 0.1 . 1 . . . . . . . . 5485 1 629 . 1 1 57 57 GLY HA3 H 1 3.995 0.02 . 2 . . . . . . . . 5485 1 630 . 1 1 57 57 GLY HA2 H 1 3.835 0.02 . 2 . . . . . . . . 5485 1 631 . 1 1 58 58 ILE N N 15 122.864 0.1 . 1 . . . . . . . . 5485 1 632 . 1 1 58 58 ILE H H 1 8.207 0.02 . 1 . . . . . . . . 5485 1 633 . 1 1 58 58 ILE CA C 13 56.400 0.1 . 1 . . . . . . . . 5485 1 634 . 1 1 58 58 ILE HA H 1 4.369 0.02 . 1 . . . . . . . . 5485 1 635 . 1 1 58 58 ILE CB C 13 38.928 0.1 . 1 . . . . . . . . 5485 1 636 . 1 1 58 58 ILE HB H 1 1.465 0.02 . 1 . . . . . . . . 5485 1 637 . 1 1 58 58 ILE CG1 C 13 24.88 0.1 . 1 . . . . . . . . 5485 1 638 . 1 1 58 58 ILE HG13 H 1 1.081 0.02 . 1 . . . . . . . . 5485 1 639 . 1 1 58 58 ILE HG12 H 1 1.081 0.02 . 1 . . . . . . . . 5485 1 640 . 1 1 58 58 ILE CG2 C 13 14.476 0.1 . 1 . . . . . . . . 5485 1 641 . 1 1 58 58 ILE HG21 H 1 0.706 0.02 . 1 . . . . . . . . 5485 1 642 . 1 1 58 58 ILE HG22 H 1 0.706 0.02 . 1 . . . . . . . . 5485 1 643 . 1 1 58 58 ILE HG23 H 1 0.706 0.02 . 1 . . . . . . . . 5485 1 644 . 1 1 58 58 ILE HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5485 1 645 . 1 1 58 58 ILE HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5485 1 646 . 1 1 58 58 ILE HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5485 1 647 . 1 1 59 59 PRO CA C 13 61.036 0.1 . 1 . . . . . . . . 5485 1 648 . 1 1 59 59 PRO HA H 1 4.399 0.02 . 1 . . . . . . . . 5485 1 649 . 1 1 59 59 PRO CB C 13 30.266 0.1 . 1 . . . . . . . . 5485 1 650 . 1 1 59 59 PRO HB3 H 1 1.822 0.02 . 2 . . . . . . . . 5485 1 651 . 1 1 59 59 PRO HB2 H 1 2.319 0.02 . 2 . . . . . . . . 5485 1 652 . 1 1 59 59 PRO HG3 H 1 1.676 0.02 . 2 . . . . . . . . 5485 1 653 . 1 1 59 59 PRO HG2 H 1 2.026 0.02 . 2 . . . . . . . . 5485 1 654 . 1 1 59 59 PRO HD3 H 1 3.883 0.02 . 1 . . . . . . . . 5485 1 655 . 1 1 59 59 PRO HD2 H 1 3.883 0.02 . 1 . . . . . . . . 5485 1 656 . 1 1 60 60 VAL N N 15 119.957 0.1 . 1 . . . . . . . . 5485 1 657 . 1 1 60 60 VAL H H 1 8.003 0.02 . 1 . . . . . . . . 5485 1 658 . 1 1 60 60 VAL CA C 13 58.136 0.1 . 1 . . . . . . . . 5485 1 659 . 1 1 60 60 VAL HA H 1 4.943 0.02 . 1 . . . . . . . . 5485 1 660 . 1 1 60 60 VAL CB C 13 32.214 0.1 . 1 . . . . . . . . 5485 1 661 . 1 1 60 60 VAL HB H 1 1.837 0.02 . 1 . . . . . . . . 5485 1 662 . 1 1 60 60 VAL CG1 C 13 19.7 0.1 . 1 . . . . . . . . 5485 1 663 . 1 1 60 60 VAL HG11 H 1 0.68 0.02 . 1 . . . . . . . . 5485 1 664 . 1 1 60 60 VAL HG12 H 1 0.68 0.02 . 1 . . . . . . . . 5485 1 665 . 1 1 60 60 VAL HG13 H 1 0.68 0.02 . 1 . . . . . . . . 5485 1 666 . 1 1 60 60 VAL CG2 C 13 20.765 0.1 . 1 . . . . . . . . 5485 1 667 . 1 1 60 60 VAL HG21 H 1 0.734 0.02 . 1 . . . . . . . . 5485 1 668 . 1 1 60 60 VAL HG22 H 1 0.734 0.02 . 1 . . . . . . . . 5485 1 669 . 1 1 60 60 VAL HG23 H 1 0.734 0.02 . 1 . . . . . . . . 5485 1 670 . 1 1 61 61 TYR N N 15 129.059 0.1 . 1 . . . . . . . . 5485 1 671 . 1 1 61 61 TYR H H 1 9.253 0.02 . 1 . . . . . . . . 5485 1 672 . 1 1 61 61 TYR CA C 13 54.527 0.1 . 1 . . . . . . . . 5485 1 673 . 1 1 61 61 TYR HA H 1 4.75 0.02 . 1 . . . . . . . . 5485 1 674 . 1 1 61 61 TYR CB C 13 39.718 0.1 . 1 . . . . . . . . 5485 1 675 . 1 1 61 61 TYR HB3 H 1 2.746 0.02 . 1 . . . . . . . . 5485 1 676 . 1 1 61 61 TYR HB2 H 1 2.746 0.02 . 1 . . . . . . . . 5485 1 677 . 1 1 61 61 TYR HD1 H 1 7.034 0.02 . 1 . . . . . . . . 5485 1 678 . 1 1 61 61 TYR HD2 H 1 7.034 0.02 . 1 . . . . . . . . 5485 1 679 . 1 1 61 61 TYR HE1 H 1 6.621 0.02 . 1 . . . . . . . . 5485 1 680 . 1 1 61 61 TYR HE2 H 1 6.621 0.02 . 1 . . . . . . . . 5485 1 681 . 1 1 62 62 GLU N N 15 129.035 0.1 . 1 . . . . . . . . 5485 1 682 . 1 1 62 62 GLU H H 1 7.973 0.02 . 1 . . . . . . . . 5485 1 683 . 1 1 62 62 GLU CA C 13 52.537 0.1 . 1 . . . . . . . . 5485 1 684 . 1 1 62 62 GLU HA H 1 4.63 0.02 . 1 . . . . . . . . 5485 1 685 . 1 1 62 62 GLU CB C 13 27.983 0.1 . 1 . . . . . . . . 5485 1 686 . 1 1 62 62 GLU HB3 H 1 1.556 0.02 . 2 . . . . . . . . 5485 1 687 . 1 1 62 62 GLU HB2 H 1 1.749 0.02 . 2 . . . . . . . . 5485 1 688 . 1 1 62 62 GLU CG C 13 34.844 0.1 . 1 . . . . . . . . 5485 1 689 . 1 1 62 62 GLU HG3 H 1 1.901 0.02 . 2 . . . . . . . . 5485 1 690 . 1 1 62 62 GLU HG2 H 1 1.746 0.02 . 2 . . . . . . . . 5485 1 691 . 1 1 63 63 PHE N N 15 127.723 0.1 . 1 . . . . . . . . 5485 1 692 . 1 1 63 63 PHE H H 1 8.479 0.02 . 1 . . . . . . . . 5485 1 693 . 1 1 63 63 PHE CA C 13 54.031 0.1 . 1 . . . . . . . . 5485 1 694 . 1 1 63 63 PHE HA H 1 4.175 0.02 . 1 . . . . . . . . 5485 1 695 . 1 1 63 63 PHE CB C 13 38.073 0.1 . 1 . . . . . . . . 5485 1 696 . 1 1 63 63 PHE HB2 H 1 2.56 0.02 . 1 . . . . . . . . 5485 1 697 . 1 1 63 63 PHE HD1 H 1 6.747 0.02 . 1 . . . . . . . . 5485 1 698 . 1 1 63 63 PHE HD2 H 1 6.747 0.02 . 1 . . . . . . . . 5485 1 699 . 1 1 63 63 PHE HE1 H 1 7.275 0.02 . 1 . . . . . . . . 5485 1 700 . 1 1 63 63 PHE HE2 H 1 7.275 0.02 . 1 . . . . . . . . 5485 1 701 . 1 1 63 63 PHE HZ H 1 7.324 0.02 . 1 . . . . . . . . 5485 1 702 . 1 1 64 64 GLU N N 15 127.392 0.1 . 1 . . . . . . . . 5485 1 703 . 1 1 64 64 GLU H H 1 8.376 0.02 . 1 . . . . . . . . 5485 1 704 . 1 1 64 64 GLU CA C 13 54.707 0.1 . 1 . . . . . . . . 5485 1 705 . 1 1 64 64 GLU HA H 1 3.813 0.02 . 1 . . . . . . . . 5485 1 706 . 1 1 64 64 GLU CB C 13 26.138 0.1 . 1 . . . . . . . . 5485 1 707 . 1 1 64 64 GLU HB3 H 1 1.679 0.02 . 2 . . . . . . . . 5485 1 708 . 1 1 64 64 GLU HB2 H 1 1.837 0.02 . 2 . . . . . . . . 5485 1 709 . 1 1 64 64 GLU CG C 13 33.594 0.1 . 1 . . . . . . . . 5485 1 710 . 1 1 64 64 GLU HG3 H 1 1.968 0.02 . 2 . . . . . . . . 5485 1 711 . 1 1 64 64 GLU HG2 H 1 2.111 0.02 . 2 . . . . . . . . 5485 1 712 . 1 1 65 65 GLY N N 15 106.636 0.1 . 1 . . . . . . . . 5485 1 713 . 1 1 65 65 GLY H H 1 5.587 0.02 . 1 . . . . . . . . 5485 1 714 . 1 1 65 65 GLY CA C 13 42.755 0.1 . 1 . . . . . . . . 5485 1 715 . 1 1 65 65 GLY HA3 H 1 4.091 0.02 . 2 . . . . . . . . 5485 1 716 . 1 1 65 65 GLY HA2 H 1 3.227 0.02 . 2 . . . . . . . . 5485 1 717 . 1 1 66 66 THR N N 15 106.437 0.1 . 1 . . . . . . . . 5485 1 718 . 1 1 66 66 THR H H 1 8.379 0.02 . 1 . . . . . . . . 5485 1 719 . 1 1 66 66 THR CA C 13 58.765 0.1 . 1 . . . . . . . . 5485 1 720 . 1 1 66 66 THR HA H 1 4.499 0.02 . 1 . . . . . . . . 5485 1 721 . 1 1 66 66 THR CB C 13 70.737 0.1 . 1 . . . . . . . . 5485 1 722 . 1 1 66 66 THR HB H 1 4.855 0.02 . 1 . . . . . . . . 5485 1 723 . 1 1 66 66 THR HG21 H 1 1.225 0.02 . 1 . . . . . . . . 5485 1 724 . 1 1 66 66 THR HG22 H 1 1.225 0.02 . 1 . . . . . . . . 5485 1 725 . 1 1 66 66 THR HG23 H 1 1.225 0.02 . 1 . . . . . . . . 5485 1 726 . 1 1 67 67 SER N N 15 116.696 0.1 . 1 . . . . . . . . 5485 1 727 . 1 1 67 67 SER H H 1 9.666 0.02 . 1 . . . . . . . . 5485 1 728 . 1 1 67 67 SER CA C 13 58.040 0.1 . 1 . . . . . . . . 5485 1 729 . 1 1 67 67 SER HA H 1 4.475 0.02 . 1 . . . . . . . . 5485 1 730 . 1 1 67 67 SER CB C 13 60.645 0.1 . 1 . . . . . . . . 5485 1 731 . 1 1 67 67 SER HB3 H 1 3.675 0.02 . 1 . . . . . . . . 5485 1 732 . 1 1 67 67 SER HB2 H 1 3.675 0.02 . 1 . . . . . . . . 5485 1 733 . 1 1 68 68 VAL N N 15 125.186 0.1 . 1 . . . . . . . . 5485 1 734 . 1 1 68 68 VAL H H 1 7.775 0.02 . 1 . . . . . . . . 5485 1 735 . 1 1 68 68 VAL CA C 13 63.977 0.1 . 1 . . . . . . . . 5485 1 736 . 1 1 68 68 VAL HA H 1 3.828 0.02 . 1 . . . . . . . . 5485 1 737 . 1 1 68 68 VAL CB C 13 30.103 0.1 . 1 . . . . . . . . 5485 1 738 . 1 1 68 68 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 5485 1 739 . 1 1 68 68 VAL CG1 C 13 18.77 0.1 . 1 . . . . . . . . 5485 1 740 . 1 1 68 68 VAL HG11 H 1 0.863 0.02 . 1 . . . . . . . . 5485 1 741 . 1 1 68 68 VAL HG12 H 1 0.863 0.02 . 1 . . . . . . . . 5485 1 742 . 1 1 68 68 VAL HG13 H 1 0.863 0.02 . 1 . . . . . . . . 5485 1 743 . 1 1 68 68 VAL CG2 C 13 21.02 0.1 . 1 . . . . . . . . 5485 1 744 . 1 1 68 68 VAL HG21 H 1 1.002 0.02 . 1 . . . . . . . . 5485 1 745 . 1 1 68 68 VAL HG22 H 1 1.002 0.02 . 1 . . . . . . . . 5485 1 746 . 1 1 68 68 VAL HG23 H 1 1.002 0.02 . 1 . . . . . . . . 5485 1 747 . 1 1 69 69 GLU N N 15 123.452 0.1 . 1 . . . . . . . . 5485 1 748 . 1 1 69 69 GLU H H 1 7.637 0.02 . 1 . . . . . . . . 5485 1 749 . 1 1 69 69 GLU CA C 13 57.743 0.1 . 1 . . . . . . . . 5485 1 750 . 1 1 69 69 GLU HA H 1 3.991 0.02 . 1 . . . . . . . . 5485 1 751 . 1 1 69 69 GLU CB C 13 27.483 0.1 . 1 . . . . . . . . 5485 1 752 . 1 1 69 69 GLU HB3 H 1 2.231 0.02 . 2 . . . . . . . . 5485 1 753 . 1 1 69 69 GLU HB2 H 1 2.557 0.02 . 2 . . . . . . . . 5485 1 754 . 1 1 69 69 GLU CG C 13 35.782 0.1 . 1 . . . . . . . . 5485 1 755 . 1 1 69 69 GLU HG3 H 1 2.352 0.02 . 1 . . . . . . . . 5485 1 756 . 1 1 69 69 GLU HG2 H 1 2.352 0.02 . 1 . . . . . . . . 5485 1 757 . 1 1 70 70 LEU N N 15 121.104 0.1 . 1 . . . . . . . . 5485 1 758 . 1 1 70 70 LEU H H 1 8.974 0.02 . 1 . . . . . . . . 5485 1 759 . 1 1 70 70 LEU CA C 13 55.753 0.1 . 1 . . . . . . . . 5485 1 760 . 1 1 70 70 LEU HA H 1 3.796 0.02 . 1 . . . . . . . . 5485 1 761 . 1 1 70 70 LEU CB C 13 38.447 0.1 . 1 . . . . . . . . 5485 1 762 . 1 1 70 70 LEU HB3 H 1 1.372 0.02 . 2 . . . . . . . . 5485 1 763 . 1 1 70 70 LEU HB2 H 1 2.283 0.02 . 2 . . . . . . . . 5485 1 764 . 1 1 70 70 LEU CG C 13 24.84 0.1 . 1 . . . . . . . . 5485 1 765 . 1 1 70 70 LEU HG H 1 1.290 0.02 . 1 . . . . . . . . 5485 1 766 . 1 1 70 70 LEU CD1 C 13 20.22 0.1 . 1 . . . . . . . . 5485 1 767 . 1 1 70 70 LEU HD11 H 1 0.305 0.02 . 1 . . . . . . . . 5485 1 768 . 1 1 70 70 LEU HD12 H 1 0.305 0.02 . 1 . . . . . . . . 5485 1 769 . 1 1 70 70 LEU HD13 H 1 0.305 0.02 . 1 . . . . . . . . 5485 1 770 . 1 1 70 70 LEU CD2 C 13 22.87 0.1 . 1 . . . . . . . . 5485 1 771 . 1 1 70 70 LEU HD21 H 1 0.541 0.02 . 1 . . . . . . . . 5485 1 772 . 1 1 70 70 LEU HD22 H 1 0.541 0.02 . 1 . . . . . . . . 5485 1 773 . 1 1 70 70 LEU HD23 H 1 0.541 0.02 . 1 . . . . . . . . 5485 1 774 . 1 1 71 71 GLY N N 15 103.566 0.1 . 1 . . . . . . . . 5485 1 775 . 1 1 71 71 GLY H H 1 7.732 0.02 . 1 . . . . . . . . 5485 1 776 . 1 1 71 71 GLY CA C 13 46.302 0.1 . 1 . . . . . . . . 5485 1 777 . 1 1 71 71 GLY HA3 H 1 4.12 0.02 . 2 . . . . . . . . 5485 1 778 . 1 1 71 71 GLY HA2 H 1 3.519 0.02 . 2 . . . . . . . . 5485 1 779 . 1 1 72 72 THR N N 15 117.946 0.1 . 1 . . . . . . . . 5485 1 780 . 1 1 72 72 THR H H 1 8.134 0.02 . 1 . . . . . . . . 5485 1 781 . 1 1 72 72 THR CA C 13 64.931 0.1 . 1 . . . . . . . . 5485 1 782 . 1 1 72 72 THR HA H 1 3.985 0.02 . 1 . . . . . . . . 5485 1 783 . 1 1 72 72 THR CB C 13 66.372 0.1 . 1 . . . . . . . . 5485 1 784 . 1 1 72 72 THR HB H 1 4.235 0.02 . 1 . . . . . . . . 5485 1 785 . 1 1 72 72 THR HG21 H 1 1.176 0.02 . 1 . . . . . . . . 5485 1 786 . 1 1 72 72 THR HG22 H 1 1.176 0.02 . 1 . . . . . . . . 5485 1 787 . 1 1 72 72 THR HG23 H 1 1.176 0.02 . 1 . . . . . . . . 5485 1 788 . 1 1 73 73 LEU N N 15 124.917 0.1 . 1 . . . . . . . . 5485 1 789 . 1 1 73 73 LEU H H 1 8.311 0.02 . 1 . . . . . . . . 5485 1 790 . 1 1 73 73 LEU CA C 13 56.348 0.1 . 1 . . . . . . . . 5485 1 791 . 1 1 73 73 LEU HA H 1 4.034 0.02 . 1 . . . . . . . . 5485 1 792 . 1 1 73 73 LEU CB C 13 40.114 0.1 . 1 . . . . . . . . 5485 1 793 . 1 1 73 73 LEU HB3 H 1 1.449 0.02 . 2 . . . . . . . . 5485 1 794 . 1 1 73 73 LEU HB2 H 1 1.915 0.02 . 2 . . . . . . . . 5485 1 795 . 1 1 73 73 LEU CG C 13 25.00 0.1 . 1 . . . . . . . . 5485 1 796 . 1 1 73 73 LEU HG H 1 1.915 0.02 . 1 . . . . . . . . 5485 1 797 . 1 1 73 73 LEU CD1 C 13 24.144 0.1 . 1 . . . . . . . . 5485 1 798 . 1 1 73 73 LEU HD11 H 1 0.87 0.02 . 1 . . . . . . . . 5485 1 799 . 1 1 73 73 LEU HD12 H 1 0.87 0.02 . 1 . . . . . . . . 5485 1 800 . 1 1 73 73 LEU HD13 H 1 0.87 0.02 . 1 . . . . . . . . 5485 1 801 . 1 1 73 73 LEU CD2 C 13 22.064 0.1 . 1 . . . . . . . . 5485 1 802 . 1 1 73 73 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 5485 1 803 . 1 1 73 73 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 5485 1 804 . 1 1 73 73 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 5485 1 805 . 1 1 74 74 LEU N N 15 116.334 0.1 . 1 . . . . . . . . 5485 1 806 . 1 1 74 74 LEU H H 1 7.186 0.02 . 1 . . . . . . . . 5485 1 807 . 1 1 74 74 LEU CA C 13 52.626 0.1 . 1 . . . . . . . . 5485 1 808 . 1 1 74 74 LEU HA H 1 4.208 0.02 . 1 . . . . . . . . 5485 1 809 . 1 1 74 74 LEU CB C 13 40.754 0.1 . 1 . . . . . . . . 5485 1 810 . 1 1 74 74 LEU HB3 H 1 1.716 0.02 . 1 . . . . . . . . 5485 1 811 . 1 1 74 74 LEU HB2 H 1 1.716 0.02 . 1 . . . . . . . . 5485 1 812 . 1 1 74 74 LEU CG C 13 24.843 0.1 . 1 . . . . . . . . 5485 1 813 . 1 1 74 74 LEU HG H 1 1.592 0.02 . 1 . . . . . . . . 5485 1 814 . 1 1 74 74 LEU CD1 C 13 25.00 0.1 . 1 . . . . . . . . 5485 1 815 . 1 1 74 74 LEU HD11 H 1 0.708 0.02 . 1 . . . . . . . . 5485 1 816 . 1 1 74 74 LEU HD12 H 1 0.708 0.02 . 1 . . . . . . . . 5485 1 817 . 1 1 74 74 LEU HD13 H 1 0.708 0.02 . 1 . . . . . . . . 5485 1 818 . 1 1 74 74 LEU CD2 C 13 20.47 0.1 . 1 . . . . . . . . 5485 1 819 . 1 1 74 74 LEU HD21 H 1 0.569 0.02 . 1 . . . . . . . . 5485 1 820 . 1 1 74 74 LEU HD22 H 1 0.569 0.02 . 1 . . . . . . . . 5485 1 821 . 1 1 74 74 LEU HD23 H 1 0.569 0.02 . 1 . . . . . . . . 5485 1 822 . 1 1 75 75 GLY N N 15 109.044 0.1 . 1 . . . . . . . . 5485 1 823 . 1 1 75 75 GLY H H 1 7.987 0.02 . 1 . . . . . . . . 5485 1 824 . 1 1 75 75 GLY CA C 13 44.116 0.1 . 1 . . . . . . . . 5485 1 825 . 1 1 75 75 GLY HA3 H 1 3.991 0.02 . 2 . . . . . . . . 5485 1 826 . 1 1 75 75 GLY HA2 H 1 3.826 0.02 . 2 . . . . . . . . 5485 1 827 . 1 1 76 76 ARG N N 15 117.644 0.1 . 1 . . . . . . . . 5485 1 828 . 1 1 76 76 ARG H H 1 8.182 0.02 . 1 . . . . . . . . 5485 1 829 . 1 1 76 76 ARG CA C 13 48.804 0.1 . 1 . . . . . . . . 5485 1 830 . 1 1 76 76 ARG HA H 1 4.609 0.02 . 1 . . . . . . . . 5485 1 831 . 1 1 76 76 ARG CB C 13 28.050 0.1 . 1 . . . . . . . . 5485 1 832 . 1 1 76 76 ARG HB3 H 1 1.45 0.02 . 1 . . . . . . . . 5485 1 833 . 1 1 76 76 ARG HB2 H 1 1.45 0.02 . 1 . . . . . . . . 5485 1 834 . 1 1 76 76 ARG CG C 13 28.125 0.1 . 1 . . . . . . . . 5485 1 835 . 1 1 76 76 ARG HG3 H 1 0.956 0.02 . 1 . . . . . . . . 5485 1 836 . 1 1 76 76 ARG HG2 H 1 0.956 0.02 . 1 . . . . . . . . 5485 1 837 . 1 1 76 76 ARG CD C 13 49.062 0.1 . 1 . . . . . . . . 5485 1 838 . 1 1 76 76 ARG HD3 H 1 3.090 0.02 . 1 . . . . . . . . 5485 1 839 . 1 1 76 76 ARG HD2 H 1 3.090 0.02 . 1 . . . . . . . . 5485 1 840 . 1 1 77 77 PRO CA C 13 60.494 0.1 . 1 . . . . . . . . 5485 1 841 . 1 1 77 77 PRO HA H 1 4.595 0.02 . 1 . . . . . . . . 5485 1 842 . 1 1 77 77 PRO CB C 13 28.059 0.1 . 1 . . . . . . . . 5485 1 843 . 1 1 77 77 PRO HB3 H 1 1.953 0.02 . 2 . . . . . . . . 5485 1 844 . 1 1 77 77 PRO HB2 H 1 2.194 0.02 . 2 . . . . . . . . 5485 1 845 . 1 1 77 77 PRO HG3 H 1 2.104 0.02 . 2 . . . . . . . . 5485 1 846 . 1 1 77 77 PRO HG2 H 1 1.846 0.02 . 2 . . . . . . . . 5485 1 847 . 1 1 77 77 PRO CD C 13 48.125 0.1 . 1 . . . . . . . . 5485 1 848 . 1 1 77 77 PRO HD3 H 1 3.47 0.02 . 2 . . . . . . . . 5485 1 849 . 1 1 77 77 PRO HD2 H 1 3.72 0.02 . 2 . . . . . . . . 5485 1 850 . 1 1 78 78 HIS N N 15 115.027 0.1 . 1 . . . . . . . . 5485 1 851 . 1 1 78 78 HIS H H 1 6.898 0.02 . 1 . . . . . . . . 5485 1 852 . 1 1 78 78 HIS CA C 13 51.339 0.1 . 1 . . . . . . . . 5485 1 853 . 1 1 78 78 HIS HA H 1 4.891 0.02 . 1 . . . . . . . . 5485 1 854 . 1 1 78 78 HIS CB C 13 29.379 0.1 . 1 . . . . . . . . 5485 1 855 . 1 1 78 78 HIS HB3 H 1 3.236 0.02 . 1 . . . . . . . . 5485 1 856 . 1 1 78 78 HIS HB2 H 1 3.236 0.02 . 1 . . . . . . . . 5485 1 857 . 1 1 78 78 HIS HD2 H 1 6.987 0.02 . 1 . . . . . . . . 5485 1 858 . 1 1 79 79 THR N N 15 109.622 0.1 . 1 . . . . . . . . 5485 1 859 . 1 1 79 79 THR H H 1 8.138 0.02 . 1 . . . . . . . . 5485 1 860 . 1 1 79 79 THR CA C 13 60.242 0.1 . 1 . . . . . . . . 5485 1 861 . 1 1 79 79 THR HA H 1 4.047 0.02 . 1 . . . . . . . . 5485 1 862 . 1 1 79 79 THR CB C 13 67.786 0.1 . 1 . . . . . . . . 5485 1 863 . 1 1 79 79 THR HB H 1 3.97 0.02 . 1 . . . . . . . . 5485 1 864 . 1 1 79 79 THR CG2 C 13 21.13 0.1 . 1 . . . . . . . . 5485 1 865 . 1 1 79 79 THR HG21 H 1 1.203 0.02 . 1 . . . . . . . . 5485 1 866 . 1 1 79 79 THR HG22 H 1 1.203 0.02 . 1 . . . . . . . . 5485 1 867 . 1 1 79 79 THR HG23 H 1 1.203 0.02 . 1 . . . . . . . . 5485 1 868 . 1 1 80 80 VAL N N 15 122.265 0.1 . 1 . . . . . . . . 5485 1 869 . 1 1 80 80 VAL H H 1 7.928 0.02 . 1 . . . . . . . . 5485 1 870 . 1 1 80 80 VAL CA C 13 60.293 0.1 . 1 . . . . . . . . 5485 1 871 . 1 1 80 80 VAL HA H 1 4.377 0.02 . 1 . . . . . . . . 5485 1 872 . 1 1 80 80 VAL CB C 13 33.325 0.1 . 1 . . . . . . . . 5485 1 873 . 1 1 80 80 VAL HB H 1 1.636 0.02 . 1 . . . . . . . . 5485 1 874 . 1 1 80 80 VAL CG1 C 13 19.76 0.1 . 1 . . . . . . . . 5485 1 875 . 1 1 80 80 VAL HG11 H 1 0.746 0.02 . 1 . . . . . . . . 5485 1 876 . 1 1 80 80 VAL HG12 H 1 0.746 0.02 . 1 . . . . . . . . 5485 1 877 . 1 1 80 80 VAL HG13 H 1 0.746 0.02 . 1 . . . . . . . . 5485 1 878 . 1 1 80 80 VAL CG2 C 13 20.365 0.1 . 1 . . . . . . . . 5485 1 879 . 1 1 80 80 VAL HG21 H 1 0.932 0.02 . 1 . . . . . . . . 5485 1 880 . 1 1 80 80 VAL HG22 H 1 0.932 0.02 . 1 . . . . . . . . 5485 1 881 . 1 1 80 80 VAL HG23 H 1 0.932 0.02 . 1 . . . . . . . . 5485 1 882 . 1 1 81 81 SER N N 15 120.571 0.1 . 1 . . . . . . . . 5485 1 883 . 1 1 81 81 SER H H 1 9.323 0.02 . 1 . . . . . . . . 5485 1 884 . 1 1 81 81 SER CA C 13 58.603 0.1 . 1 . . . . . . . . 5485 1 885 . 1 1 81 81 SER HA H 1 4.337 0.02 . 1 . . . . . . . . 5485 1 886 . 1 1 81 81 SER CB C 13 62.408 0.1 . 1 . . . . . . . . 5485 1 887 . 1 1 81 81 SER HB3 H 1 3.919 0.02 . 1 . . . . . . . . 5485 1 888 . 1 1 81 81 SER HB2 H 1 3.919 0.02 . 1 . . . . . . . . 5485 1 889 . 1 1 82 82 ALA N N 15 118.709 0.1 . 1 . . . . . . . . 5485 1 890 . 1 1 82 82 ALA H H 1 7.271 0.02 . 1 . . . . . . . . 5485 1 891 . 1 1 82 82 ALA CA C 13 48.688 0.1 . 1 . . . . . . . . 5485 1 892 . 1 1 82 82 ALA HA H 1 5.212 0.02 . 1 . . . . . . . . 5485 1 893 . 1 1 82 82 ALA CB C 13 20.475 0.1 . 1 . . . . . . . . 5485 1 894 . 1 1 82 82 ALA HB1 H 1 1.13 0.02 . 1 . . . . . . . . 5485 1 895 . 1 1 82 82 ALA HB2 H 1 1.13 0.02 . 1 . . . . . . . . 5485 1 896 . 1 1 82 82 ALA HB3 H 1 1.13 0.02 . 1 . . . . . . . . 5485 1 897 . 1 1 83 83 LEU N N 15 116.744 0.1 . 1 . . . . . . . . 5485 1 898 . 1 1 83 83 LEU H H 1 9.13 0.02 . 1 . . . . . . . . 5485 1 899 . 1 1 83 83 LEU CA C 13 52.919 0.1 . 1 . . . . . . . . 5485 1 900 . 1 1 83 83 LEU HA H 1 4.73 0.02 . 1 . . . . . . . . 5485 1 901 . 1 1 83 83 LEU CB C 13 42.523 0.1 . 1 . . . . . . . . 5485 1 902 . 1 1 83 83 LEU HB3 H 1 1.548 0.02 . 1 . . . . . . . . 5485 1 903 . 1 1 83 83 LEU HB2 H 1 1.548 0.02 . 1 . . . . . . . . 5485 1 904 . 1 1 83 83 LEU CG C 13 23.91 0.1 . 1 . . . . . . . . 5485 1 905 . 1 1 83 83 LEU HG H 1 1.627 0.02 . 1 . . . . . . . . 5485 1 906 . 1 1 83 83 LEU CD1 C 13 25.14 0.1 . 1 . . . . . . . . 5485 1 907 . 1 1 83 83 LEU HD11 H 1 0.629 0.02 . 1 . . . . . . . . 5485 1 908 . 1 1 83 83 LEU HD12 H 1 0.629 0.02 . 1 . . . . . . . . 5485 1 909 . 1 1 83 83 LEU HD13 H 1 0.629 0.02 . 1 . . . . . . . . 5485 1 910 . 1 1 83 83 LEU CD2 C 13 27.41 0.1 . 1 . . . . . . . . 5485 1 911 . 1 1 83 83 LEU HD21 H 1 0.71 0.02 . 1 . . . . . . . . 5485 1 912 . 1 1 83 83 LEU HD22 H 1 0.71 0.02 . 1 . . . . . . . . 5485 1 913 . 1 1 83 83 LEU HD23 H 1 0.71 0.02 . 1 . . . . . . . . 5485 1 914 . 1 1 84 84 ALA N N 15 120.497 0.1 . 1 . . . . . . . . 5485 1 915 . 1 1 84 84 ALA H H 1 8.991 0.02 . 1 . . . . . . . . 5485 1 916 . 1 1 84 84 ALA CA C 13 47.644 0.1 . 1 . . . . . . . . 5485 1 917 . 1 1 84 84 ALA HA H 1 5.097 0.02 . 1 . . . . . . . . 5485 1 918 . 1 1 84 84 ALA CB C 13 19.173 0.1 . 1 . . . . . . . . 5485 1 919 . 1 1 84 84 ALA HB1 H 1 0.939 0.02 . 1 . . . . . . . . 5485 1 920 . 1 1 84 84 ALA HB2 H 1 0.939 0.02 . 1 . . . . . . . . 5485 1 921 . 1 1 84 84 ALA HB3 H 1 0.939 0.02 . 1 . . . . . . . . 5485 1 922 . 1 1 85 85 VAL N N 15 122.249 0.1 . 1 . . . . . . . . 5485 1 923 . 1 1 85 85 VAL H H 1 9.037 0.02 . 1 . . . . . . . . 5485 1 924 . 1 1 85 85 VAL CA C 13 60.170 0.1 . 1 . . . . . . . . 5485 1 925 . 1 1 85 85 VAL HA H 1 3.943 0.02 . 1 . . . . . . . . 5485 1 926 . 1 1 85 85 VAL CB C 13 29.185 0.1 . 1 . . . . . . . . 5485 1 927 . 1 1 85 85 VAL HB H 1 2.041 0.02 . 1 . . . . . . . . 5485 1 928 . 1 1 85 85 VAL CG1 C 13 18.446 0.1 . 1 . . . . . . . . 5485 1 929 . 1 1 85 85 VAL HG11 H 1 0.492 0.02 . 1 . . . . . . . . 5485 1 930 . 1 1 85 85 VAL HG12 H 1 0.492 0.02 . 1 . . . . . . . . 5485 1 931 . 1 1 85 85 VAL HG13 H 1 0.492 0.02 . 1 . . . . . . . . 5485 1 932 . 1 1 85 85 VAL CG2 C 13 18.103 0.1 . 1 . . . . . . . . 5485 1 933 . 1 1 85 85 VAL HG21 H 1 0.59 0.02 . 1 . . . . . . . . 5485 1 934 . 1 1 85 85 VAL HG22 H 1 0.59 0.02 . 1 . . . . . . . . 5485 1 935 . 1 1 85 85 VAL HG23 H 1 0.59 0.02 . 1 . . . . . . . . 5485 1 936 . 1 1 86 86 VAL N N 15 131.503 0.1 . 1 . . . . . . . . 5485 1 937 . 1 1 86 86 VAL H H 1 8.286 0.02 . 1 . . . . . . . . 5485 1 938 . 1 1 86 86 VAL CA C 13 63.322 0.1 . 1 . . . . . . . . 5485 1 939 . 1 1 86 86 VAL HA H 1 3.797 0.02 . 1 . . . . . . . . 5485 1 940 . 1 1 86 86 VAL CB C 13 30.484 0.1 . 1 . . . . . . . . 5485 1 941 . 1 1 86 86 VAL HB H 1 1.626 0.02 . 1 . . . . . . . . 5485 1 942 . 1 1 86 86 VAL CG1 C 13 18.70 0.1 . 1 . . . . . . . . 5485 1 943 . 1 1 86 86 VAL HG11 H 1 0.957 0.02 . 1 . . . . . . . . 5485 1 944 . 1 1 86 86 VAL HG12 H 1 0.957 0.02 . 1 . . . . . . . . 5485 1 945 . 1 1 86 86 VAL HG13 H 1 0.957 0.02 . 1 . . . . . . . . 5485 1 946 . 1 1 86 86 VAL CG2 C 13 20.08 0.1 . 1 . . . . . . . . 5485 1 947 . 1 1 86 86 VAL HG21 H 1 0.549 0.02 . 1 . . . . . . . . 5485 1 948 . 1 1 86 86 VAL HG22 H 1 0.549 0.02 . 1 . . . . . . . . 5485 1 949 . 1 1 86 86 VAL HG23 H 1 0.549 0.02 . 1 . . . . . . . . 5485 1 950 . 1 1 87 87 ASP N N 15 117.095 0.1 . 1 . . . . . . . . 5485 1 951 . 1 1 87 87 ASP H H 1 7.889 0.02 . 1 . . . . . . . . 5485 1 952 . 1 1 87 87 ASP CA C 13 48.428 0.1 . 1 . . . . . . . . 5485 1 953 . 1 1 87 87 ASP HA H 1 5.052 0.02 . 1 . . . . . . . . 5485 1 954 . 1 1 87 87 ASP CB C 13 42.593 0.1 . 1 . . . . . . . . 5485 1 955 . 1 1 87 87 ASP HB3 H 1 2.632 0.02 . 1 . . . . . . . . 5485 1 956 . 1 1 87 87 ASP HB2 H 1 2.632 0.02 . 1 . . . . . . . . 5485 1 957 . 1 1 88 88 PRO CA C 13 60.996 0.1 . 1 . . . . . . . . 5485 1 958 . 1 1 88 88 PRO HA H 1 3.95 0.02 . 1 . . . . . . . . 5485 1 959 . 1 1 88 88 PRO CB C 13 31.219 0.1 . 1 . . . . . . . . 5485 1 960 . 1 1 88 88 PRO HB3 H 1 1.66 0.02 . 2 . . . . . . . . 5485 1 961 . 1 1 88 88 PRO HB2 H 1 2.063 0.02 . 2 . . . . . . . . 5485 1 962 . 1 1 88 88 PRO HG3 H 1 2.075 0.02 . 1 . . . . . . . . 5485 1 963 . 1 1 88 88 PRO HG2 H 1 2.075 0.02 . 1 . . . . . . . . 5485 1 964 . 1 1 88 88 PRO CD C 13 49.062 0.1 . 1 . . . . . . . . 5485 1 965 . 1 1 88 88 PRO HD3 H 1 3.159 0.02 . 1 . . . . . . . . 5485 1 966 . 1 1 88 88 PRO HD2 H 1 3.159 0.02 . 1 . . . . . . . . 5485 1 967 . 1 1 89 89 GLY N N 15 113.251 0.1 . 1 . . . . . . . . 5485 1 968 . 1 1 89 89 GLY H H 1 9.143 0.02 . 1 . . . . . . . . 5485 1 969 . 1 1 89 89 GLY CA C 13 44.499 0.1 . 1 . . . . . . . . 5485 1 970 . 1 1 89 89 GLY HA3 H 1 3.618 0.02 . 1 . . . . . . . . 5485 1 971 . 1 1 89 89 GLY HA2 H 1 3.618 0.02 . 1 . . . . . . . . 5485 1 972 . 1 1 90 90 GLU N N 15 124.940 0.1 . 1 . . . . . . . . 5485 1 973 . 1 1 90 90 GLU H H 1 8.576 0.02 . 1 . . . . . . . . 5485 1 974 . 1 1 90 90 GLU CA C 13 53.488 0.1 . 1 . . . . . . . . 5485 1 975 . 1 1 90 90 GLU HA H 1 4.357 0.02 . 1 . . . . . . . . 5485 1 976 . 1 1 90 90 GLU CB C 13 28.100 0.1 . 1 . . . . . . . . 5485 1 977 . 1 1 90 90 GLU HB3 H 1 1.579 0.02 . 2 . . . . . . . . 5485 1 978 . 1 1 90 90 GLU HB2 H 1 2.236 0.02 . 2 . . . . . . . . 5485 1 979 . 1 1 90 90 GLU CG C 13 34.375 0.1 . 1 . . . . . . . . 5485 1 980 . 1 1 90 90 GLU HG3 H 1 2.228 0.02 . 1 . . . . . . . . 5485 1 981 . 1 1 90 90 GLU HG2 H 1 2.228 0.02 . 1 . . . . . . . . 5485 1 982 . 1 1 91 91 SER N N 15 114.565 0.1 . 1 . . . . . . . . 5485 1 983 . 1 1 91 91 SER H H 1 7.788 0.02 . 1 . . . . . . . . 5485 1 984 . 1 1 91 91 SER CA C 13 56.619 0.1 . 1 . . . . . . . . 5485 1 985 . 1 1 91 91 SER HA H 1 5.689 0.02 . 1 . . . . . . . . 5485 1 986 . 1 1 91 91 SER CB C 13 64.893 0.1 . 1 . . . . . . . . 5485 1 987 . 1 1 91 91 SER HB3 H 1 4.426 0.02 . 2 . . . . . . . . 5485 1 988 . 1 1 91 91 SER HB2 H 1 3.615 0.02 . 2 . . . . . . . . 5485 1 989 . 1 1 92 92 ARG N N 15 123.259 0.1 . 1 . . . . . . . . 5485 1 990 . 1 1 92 92 ARG H H 1 9.45 0.02 . 1 . . . . . . . . 5485 1 991 . 1 1 92 92 ARG CA C 13 53.121 0.1 . 1 . . . . . . . . 5485 1 992 . 1 1 92 92 ARG HA H 1 4.611 0.02 . 1 . . . . . . . . 5485 1 993 . 1 1 92 92 ARG CB C 13 27.457 0.1 . 1 . . . . . . . . 5485 1 994 . 1 1 92 92 ARG HB3 H 1 1.263 0.02 . 2 . . . . . . . . 5485 1 995 . 1 1 92 92 ARG HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5485 1 996 . 1 1 92 92 ARG CG C 13 25.625 0.1 . 1 . . . . . . . . 5485 1 997 . 1 1 92 92 ARG HG3 H 1 1.612 0.02 . 1 . . . . . . . . 5485 1 998 . 1 1 92 92 ARG HG2 H 1 1.612 0.02 . 1 . . . . . . . . 5485 1 999 . 1 1 92 92 ARG CD C 13 41.719 0.1 . 1 . . . . . . . . 5485 1 1000 . 1 1 92 92 ARG HD3 H 1 3.165 0.02 . 1 . . . . . . . . 5485 1 1001 . 1 1 92 92 ARG HD2 H 1 3.165 0.02 . 1 . . . . . . . . 5485 1 1002 . 1 1 93 93 ILE N N 15 118.059 0.1 . 1 . . . . . . . . 5485 1 1003 . 1 1 93 93 ILE H H 1 7.565 0.02 . 1 . . . . . . . . 5485 1 1004 . 1 1 93 93 ILE CA C 13 60.337 0.1 . 1 . . . . . . . . 5485 1 1005 . 1 1 93 93 ILE HA H 1 3.601 0.02 . 1 . . . . . . . . 5485 1 1006 . 1 1 93 93 ILE CB C 13 37.070 0.1 . 1 . . . . . . . . 5485 1 1007 . 1 1 93 93 ILE HB H 1 1.547 0.02 . 1 . . . . . . . . 5485 1 1008 . 1 1 93 93 ILE CG1 C 13 27.673 0.1 . 1 . . . . . . . . 5485 1 1009 . 1 1 93 93 ILE HG13 H 1 1.238 0.02 . 2 . . . . . . . . 5485 1 1010 . 1 1 93 93 ILE HG12 H 1 0.885 0.02 . 2 . . . . . . . . 5485 1 1011 . 1 1 93 93 ILE CG2 C 13 17.389 0.1 . 1 . . . . . . . . 5485 1 1012 . 1 1 93 93 ILE HG21 H 1 0.61 0.02 . 1 . . . . . . . . 5485 1 1013 . 1 1 93 93 ILE HG22 H 1 0.61 0.02 . 1 . . . . . . . . 5485 1 1014 . 1 1 93 93 ILE HG23 H 1 0.61 0.02 . 1 . . . . . . . . 5485 1 1015 . 1 1 93 93 ILE CD1 C 13 12.861 0.1 . 1 . . . . . . . . 5485 1 1016 . 1 1 93 93 ILE HD11 H 1 0.414 0.02 . 1 . . . . . . . . 5485 1 1017 . 1 1 93 93 ILE HD12 H 1 0.414 0.02 . 1 . . . . . . . . 5485 1 1018 . 1 1 93 93 ILE HD13 H 1 0.414 0.02 . 1 . . . . . . . . 5485 1 1019 . 1 1 94 94 LEU N N 15 116.382 0.1 . 1 . . . . . . . . 5485 1 1020 . 1 1 94 94 LEU H H 1 8.316 0.02 . 1 . . . . . . . . 5485 1 1021 . 1 1 94 94 LEU CA C 13 54.324 0.1 . 1 . . . . . . . . 5485 1 1022 . 1 1 94 94 LEU HA H 1 3.998 0.02 . 1 . . . . . . . . 5485 1 1023 . 1 1 94 94 LEU CB C 13 36.667 0.1 . 1 . . . . . . . . 5485 1 1024 . 1 1 94 94 LEU HB3 H 1 1.511 0.02 . 2 . . . . . . . . 5485 1 1025 . 1 1 94 94 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5485 1 1026 . 1 1 94 94 LEU CG C 13 24.84 0.1 . 1 . . . . . . . . 5485 1 1027 . 1 1 94 94 LEU HG H 1 1.474 0.02 . 1 . . . . . . . . 5485 1 1028 . 1 1 94 94 LEU CD1 C 13 24.00 0.1 . 1 . . . . . . . . 5485 1 1029 . 1 1 94 94 LEU HD11 H 1 0.84 0.02 . 1 . . . . . . . . 5485 1 1030 . 1 1 94 94 LEU HD12 H 1 0.84 0.02 . 1 . . . . . . . . 5485 1 1031 . 1 1 94 94 LEU HD13 H 1 0.84 0.02 . 1 . . . . . . . . 5485 1 1032 . 1 1 94 94 LEU CD2 C 13 21.78 0.1 . 1 . . . . . . . . 5485 1 1033 . 1 1 94 94 LEU HD21 H 1 0.595 0.02 . 1 . . . . . . . . 5485 1 1034 . 1 1 94 94 LEU HD22 H 1 0.595 0.02 . 1 . . . . . . . . 5485 1 1035 . 1 1 94 94 LEU HD23 H 1 0.595 0.02 . 1 . . . . . . . . 5485 1 1036 . 1 1 95 95 ALA N N 15 122.723 0.1 . 1 . . . . . . . . 5485 1 1037 . 1 1 95 95 ALA H H 1 8.002 0.02 . 1 . . . . . . . . 5485 1 1038 . 1 1 95 95 ALA CA C 13 51.793 0.1 . 1 . . . . . . . . 5485 1 1039 . 1 1 95 95 ALA HA H 1 4.186 0.02 . 1 . . . . . . . . 5485 1 1040 . 1 1 95 95 ALA CB C 13 16.334 0.1 . 1 . . . . . . . . 5485 1 1041 . 1 1 95 95 ALA HB1 H 1 1.408 0.02 . 1 . . . . . . . . 5485 1 1042 . 1 1 95 95 ALA HB2 H 1 1.408 0.02 . 1 . . . . . . . . 5485 1 1043 . 1 1 95 95 ALA HB3 H 1 1.408 0.02 . 1 . . . . . . . . 5485 1 1044 . 1 1 96 96 LEU N N 15 117.163 0.1 . 1 . . . . . . . . 5485 1 1045 . 1 1 96 96 LEU H H 1 7.388 0.02 . 1 . . . . . . . . 5485 1 1046 . 1 1 96 96 LEU CA C 13 54.111 0.1 . 1 . . . . . . . . 5485 1 1047 . 1 1 96 96 LEU HA H 1 4.037 0.02 . 1 . . . . . . . . 5485 1 1048 . 1 1 96 96 LEU CB C 13 39.159 0.1 . 1 . . . . . . . . 5485 1 1049 . 1 1 96 96 LEU HB3 H 1 1.07 0.02 . 2 . . . . . . . . 5485 1 1050 . 1 1 96 96 LEU HB2 H 1 1.454 0.02 . 2 . . . . . . . . 5485 1 1051 . 1 1 96 96 LEU CG C 13 25.00 0.1 . 1 . . . . . . . . 5485 1 1052 . 1 1 96 96 LEU HG H 1 1.507 0.02 . 1 . . . . . . . . 5485 1 1053 . 1 1 96 96 LEU CD1 C 13 23.84 0.1 . 1 . . . . . . . . 5485 1 1054 . 1 1 96 96 LEU HD11 H 1 0.492 0.02 . 1 . . . . . . . . 5485 1 1055 . 1 1 96 96 LEU HD12 H 1 0.492 0.02 . 1 . . . . . . . . 5485 1 1056 . 1 1 96 96 LEU HD13 H 1 0.492 0.02 . 1 . . . . . . . . 5485 1 1057 . 1 1 96 96 LEU CD2 C 13 20.47 0.1 . 1 . . . . . . . . 5485 1 1058 . 1 1 96 96 LEU HD21 H 1 0.595 0.02 . 1 . . . . . . . . 5485 1 1059 . 1 1 96 96 LEU HD22 H 1 0.595 0.02 . 1 . . . . . . . . 5485 1 1060 . 1 1 96 96 LEU HD23 H 1 0.595 0.02 . 1 . . . . . . . . 5485 1 1061 . 1 1 97 97 GLY N N 15 104.737 0.1 . 1 . . . . . . . . 5485 1 1062 . 1 1 97 97 GLY H H 1 7.813 0.02 . 1 . . . . . . . . 5485 1 1063 . 1 1 97 97 GLY CA C 13 43.453 0.1 . 1 . . . . . . . . 5485 1 1064 . 1 1 97 97 GLY HA3 H 1 4.07 0.02 . 2 . . . . . . . . 5485 1 1065 . 1 1 97 97 GLY HA2 H 1 3.765 0.02 . 2 . . . . . . . . 5485 1 1066 . 1 1 98 98 GLY N N 15 107.263 0.1 . 1 . . . . . . . . 5485 1 1067 . 1 1 98 98 GLY H H 1 7.739 0.02 . 1 . . . . . . . . 5485 1 1068 . 1 1 98 98 GLY CA C 13 43.387 0.1 . 1 . . . . . . . . 5485 1 1069 . 1 1 98 98 GLY HA3 H 1 4.005 0.02 . 1 . . . . . . . . 5485 1 1070 . 1 1 98 98 GLY HA2 H 1 4.005 0.02 . 1 . . . . . . . . 5485 1 1071 . 1 1 99 99 LYS N N 15 120.727 0.1 . 1 . . . . . . . . 5485 1 1072 . 1 1 99 99 LYS H H 1 8.089 0.02 . 1 . . . . . . . . 5485 1 1073 . 1 1 99 99 LYS CA C 13 54.077 0.1 . 1 . . . . . . . . 5485 1 1074 . 1 1 99 99 LYS HA H 1 4.398 0.02 . 1 . . . . . . . . 5485 1 1075 . 1 1 99 99 LYS CB C 13 31.320 0.1 . 1 . . . . . . . . 5485 1 1076 . 1 1 99 99 LYS HB3 H 1 1.695 0.02 . 2 . . . . . . . . 5485 1 1077 . 1 1 99 99 LYS HB2 H 1 1.861 0.02 . 2 . . . . . . . . 5485 1 1078 . 1 1 99 99 LYS CG C 13 22.50 0.1 . 1 . . . . . . . . 5485 1 1079 . 1 1 99 99 LYS HG3 H 1 1.409 0.02 . 1 . . . . . . . . 5485 1 1080 . 1 1 99 99 LYS HG2 H 1 1.409 0.02 . 1 . . . . . . . . 5485 1 1081 . 1 1 99 99 LYS CD C 13 26.562 0.1 . 1 . . . . . . . . 5485 1 1082 . 1 1 99 99 LYS HD3 H 1 1.646 0.02 . 2 . . . . . . . . 5485 1 1083 . 1 1 99 99 LYS HD2 H 1 1.532 0.02 . 2 . . . . . . . . 5485 1 1084 . 1 1 99 99 LYS CE C 13 40.383 0.1 . 1 . . . . . . . . 5485 1 1085 . 1 1 99 99 LYS HE3 H 1 2.982 0.02 . 1 . . . . . . . . 5485 1 1086 . 1 1 99 99 LYS HE2 H 1 2.982 0.02 . 1 . . . . . . . . 5485 1 1087 . 1 1 100 100 GLU N N 15 127.143 0.1 . 1 . . . . . . . . 5485 1 1088 . 1 1 100 100 GLU H H 1 7.979 0.02 . 1 . . . . . . . . 5485 1 1089 . 1 1 100 100 GLU HA H 1 4.088 0.02 . 1 . . . . . . . . 5485 1 1090 . 1 1 100 100 GLU CB C 13 29.051 0.1 . 1 . . . . . . . . 5485 1 1091 . 1 1 100 100 GLU HB3 H 1 1.844 0.02 . 2 . . . . . . . . 5485 1 1092 . 1 1 100 100 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5485 1 1093 . 1 1 100 100 GLU CG C 13 34.532 0.1 . 1 . . . . . . . . 5485 1 1094 . 1 1 100 100 GLU HG3 H 1 2.159 0.02 . 1 . . . . . . . . 5485 1 1095 . 1 1 100 100 GLU HG2 H 1 2.159 0.02 . 1 . . . . . . . . 5485 1 1096 . 1 1 100 100 GLU CA C 13 56.126 0.1 . 1 . . . . . . . . 5485 1 stop_ save_