data_5891 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5891 _Entry.Title ; 1H, 15N and 13C NMR Assignments and Secondary Structure of a Hyperthermophile DNA-binding Protein Predicted to contain an Extended Coiled Coil Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-30 _Entry.Accession_date 2003-07-30 _Entry.Last_release_date 2004-07-30 _Entry.Original_release_date 2004-07-30 _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 Mebrahtu Kahsai . . . 5891 2 Sanjay Singh . . . 5891 3 Ramesh Gupta . . . 5891 4 Stephen Edmondson . P. . 5891 5 John Shriver . W. . 5891 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5891 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 644 5891 '13C chemical shifts' 443 5891 '15N chemical shifts' 93 5891 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 . . 2004-07-30 2003-07-30 original author . 5891 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5891 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C NMR Assignments and Secondary Structure of a Hyperthermophile DNA-binding Protein Predicted to contain an Extended Coiled Coil Domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 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 Mebrahtu Kahsai . . . 5891 1 2 Sanjay Singh . . . 5891 1 3 Ramesh Gupta . . . 5891 1 4 Stephen Edmondson . P. . 5891 1 5 John Shriver . W. . 5891 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Sulfolobus 5891 1 hyperthermophile 5891 1 'coiled coils' 5891 1 'DNA-binding protein' 5891 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Sso10a _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Sso10a _Assembly.Entry_ID 5891 _Assembly.ID 1 _Assembly.Name Sso10a _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 'all free' _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 dimer 5891 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 'Sso10a subunit 1' 1 $Sso10a_monomer . . . native . . 1 . . 5891 1 2 'Sso10a subunit 2' 1 $Sso10a_monomer . . . native . . 1 . . 5891 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Sso10a system 5891 1 Sso10a abbreviation 5891 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID DNA-binding 5891 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sso10a_monomer _Entity.Sf_category entity _Entity.Sf_framecode Sso10a_monomer _Entity.Entry_ID 5891 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sso10a _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 ; AKKKSKLEIIQAILEACKSG SPKTRIMYGANLSYALTGRY IKMLMDLEIIRQEGKQYMLT KKGEELLEDIRKFNEMRKNM DQLKEKINSVLSIRQ ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 1R7J . "Crystal Structure Of The Dna-Binding Protein Sso10a From Sulfolobus Solfataricus" . . . . . 100.00 95 100.00 100.00 2.19e-59 . . . . 5891 1 2 no PDB 1XSX . "Nmr Structure Of Sso10a, A Hyperthermophile Dna-Binding Protein With An Extended Anti-Parallel Coiled Coil" . . . . . 100.00 95 100.00 100.00 2.19e-59 . . . . 5891 1 3 no EMBL CAH69222 . "DNA-binding protein [Sulfolobus solfataricus]" . . . . . 100.00 96 100.00 100.00 2.11e-59 . . . . 5891 1 4 no GB ACX90575 . "conserved hypothetical protein [Sulfolobus solfataricus 98/2]" . . . . . 100.00 96 98.95 100.00 4.99e-59 . . . . 5891 1 5 no REF WP_009988494 . "hypothetical protein [Sulfolobus solfataricus]" . . . . . 100.00 96 98.95 100.00 4.99e-59 . . . . 5891 1 6 no REF YP_005642176 . "hypothetical protein [Sulfolobus solfataricus 98/2]" . . . . . 100.00 96 98.95 100.00 4.99e-59 . . . . 5891 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Sso10a common 5891 1 Sso10a abbreviation 5891 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 . ALA . 5891 1 2 . LYS . 5891 1 3 . LYS . 5891 1 4 . LYS . 5891 1 5 . SER . 5891 1 6 . LYS . 5891 1 7 . LEU . 5891 1 8 . GLU . 5891 1 9 . ILE . 5891 1 10 . ILE . 5891 1 11 . GLN . 5891 1 12 . ALA . 5891 1 13 . ILE . 5891 1 14 . LEU . 5891 1 15 . GLU . 5891 1 16 . ALA . 5891 1 17 . CYS . 5891 1 18 . LYS . 5891 1 19 . SER . 5891 1 20 . GLY . 5891 1 21 . SER . 5891 1 22 . PRO . 5891 1 23 . LYS . 5891 1 24 . THR . 5891 1 25 . ARG . 5891 1 26 . ILE . 5891 1 27 . MET . 5891 1 28 . TYR . 5891 1 29 . GLY . 5891 1 30 . ALA . 5891 1 31 . ASN . 5891 1 32 . LEU . 5891 1 33 . SER . 5891 1 34 . TYR . 5891 1 35 . ALA . 5891 1 36 . LEU . 5891 1 37 . THR . 5891 1 38 . GLY . 5891 1 39 . ARG . 5891 1 40 . TYR . 5891 1 41 . ILE . 5891 1 42 . LYS . 5891 1 43 . MET . 5891 1 44 . LEU . 5891 1 45 . MET . 5891 1 46 . ASP . 5891 1 47 . LEU . 5891 1 48 . GLU . 5891 1 49 . ILE . 5891 1 50 . ILE . 5891 1 51 . ARG . 5891 1 52 . GLN . 5891 1 53 . GLU . 5891 1 54 . GLY . 5891 1 55 . LYS . 5891 1 56 . GLN . 5891 1 57 . TYR . 5891 1 58 . MET . 5891 1 59 . LEU . 5891 1 60 . THR . 5891 1 61 . LYS . 5891 1 62 . LYS . 5891 1 63 . GLY . 5891 1 64 . GLU . 5891 1 65 . GLU . 5891 1 66 . LEU . 5891 1 67 . LEU . 5891 1 68 . GLU . 5891 1 69 . ASP . 5891 1 70 . ILE . 5891 1 71 . ARG . 5891 1 72 . LYS . 5891 1 73 . PHE . 5891 1 74 . ASN . 5891 1 75 . GLU . 5891 1 76 . MET . 5891 1 77 . ARG . 5891 1 78 . LYS . 5891 1 79 . ASN . 5891 1 80 . MET . 5891 1 81 . ASP . 5891 1 82 . GLN . 5891 1 83 . LEU . 5891 1 84 . LYS . 5891 1 85 . GLU . 5891 1 86 . LYS . 5891 1 87 . ILE . 5891 1 88 . ASN . 5891 1 89 . SER . 5891 1 90 . VAL . 5891 1 91 . LEU . 5891 1 92 . SER . 5891 1 93 . ILE . 5891 1 94 . ARG . 5891 1 95 . GLN . 5891 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 . ALA 1 1 5891 1 . LYS 2 2 5891 1 . LYS 3 3 5891 1 . LYS 4 4 5891 1 . SER 5 5 5891 1 . LYS 6 6 5891 1 . LEU 7 7 5891 1 . GLU 8 8 5891 1 . ILE 9 9 5891 1 . ILE 10 10 5891 1 . GLN 11 11 5891 1 . ALA 12 12 5891 1 . ILE 13 13 5891 1 . LEU 14 14 5891 1 . GLU 15 15 5891 1 . ALA 16 16 5891 1 . CYS 17 17 5891 1 . LYS 18 18 5891 1 . SER 19 19 5891 1 . GLY 20 20 5891 1 . SER 21 21 5891 1 . PRO 22 22 5891 1 . LYS 23 23 5891 1 . THR 24 24 5891 1 . ARG 25 25 5891 1 . ILE 26 26 5891 1 . MET 27 27 5891 1 . TYR 28 28 5891 1 . GLY 29 29 5891 1 . ALA 30 30 5891 1 . ASN 31 31 5891 1 . LEU 32 32 5891 1 . SER 33 33 5891 1 . TYR 34 34 5891 1 . ALA 35 35 5891 1 . LEU 36 36 5891 1 . THR 37 37 5891 1 . GLY 38 38 5891 1 . ARG 39 39 5891 1 . TYR 40 40 5891 1 . ILE 41 41 5891 1 . LYS 42 42 5891 1 . MET 43 43 5891 1 . LEU 44 44 5891 1 . MET 45 45 5891 1 . ASP 46 46 5891 1 . LEU 47 47 5891 1 . GLU 48 48 5891 1 . ILE 49 49 5891 1 . ILE 50 50 5891 1 . ARG 51 51 5891 1 . GLN 52 52 5891 1 . GLU 53 53 5891 1 . GLY 54 54 5891 1 . LYS 55 55 5891 1 . GLN 56 56 5891 1 . TYR 57 57 5891 1 . MET 58 58 5891 1 . LEU 59 59 5891 1 . THR 60 60 5891 1 . LYS 61 61 5891 1 . LYS 62 62 5891 1 . GLY 63 63 5891 1 . GLU 64 64 5891 1 . GLU 65 65 5891 1 . LEU 66 66 5891 1 . LEU 67 67 5891 1 . GLU 68 68 5891 1 . ASP 69 69 5891 1 . ILE 70 70 5891 1 . ARG 71 71 5891 1 . LYS 72 72 5891 1 . PHE 73 73 5891 1 . ASN 74 74 5891 1 . GLU 75 75 5891 1 . MET 76 76 5891 1 . ARG 77 77 5891 1 . LYS 78 78 5891 1 . ASN 79 79 5891 1 . MET 80 80 5891 1 . ASP 81 81 5891 1 . GLN 82 82 5891 1 . LEU 83 83 5891 1 . LYS 84 84 5891 1 . GLU 85 85 5891 1 . LYS 86 86 5891 1 . ILE 87 87 5891 1 . ASN 88 88 5891 1 . SER 89 89 5891 1 . VAL 90 90 5891 1 . LEU 91 91 5891 1 . SER 92 92 5891 1 . ILE 93 93 5891 1 . ARG 94 94 5891 1 . GLN 95 95 5891 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 5891 _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 $Sso10a_monomer . 2287 . . 'Sulfolobus solfataricus' 'Sulfolobus solfataricus' . . Archaea . Sulfolobus solfataricus . . . . . . . . . . . . . . . . sso10a . . . . 5891 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 5891 _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 $Sso10a_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5891 _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 Sso10a '[U-98% 13C; U-98% 15N]' . . 1 $Sso10a_monomer . . 2.5 . . mM . . . . 5891 1 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 5891 _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 5.0 0.2 na 5891 1 temperature 303 0.2 K 5891 1 'ionic strength' 0.0 0.0 M 5891 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 5891 _Software.ID 1 _Software.Name NMRVIEW _Software.Version 5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Back bone and side chain assignment' 5891 1 stop_ save_ save_NMPIPE _Software.Sf_category software _Software.Sf_framecode NMPIPE _Software.Entry_ID 5891 _Software.ID 2 _Software.Name NMPIPE _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data processing' 5891 2 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5891 _Software.ID 3 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data processing' 5891 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5891 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 5891 4 'data processing' 5891 4 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 5891 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5891 _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 Varian INOVA . 800 . . . 5891 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 5891 _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 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 6 CBCA(CO)NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 7 NOESY-NHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 8 CCC-TOCSY-NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 9 HCC-TOCY-NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 11 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 12 HBCBCGCDHD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 13 2D-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 1 14 2D-dq-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5891 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 5891 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNHA _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 5891 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5891 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5891 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _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 5891 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5891 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NNH _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 5891 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name NOESY-NHSQC _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 5891 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CCC-TOCSY-NNH _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 5891 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCC-TOCY-NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5891 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 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_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5891 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-COSY _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5891 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HBCBCGCDHD _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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5891 _NMR_spec_expt.ID 13 _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_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5891 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 2D-dq-COSY _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 5891 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5891 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5891 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5891 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_sso10a_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode sso10a_shift_set _Assigned_chem_shift_list.Entry_ID 5891 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_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 HNHA 1 $sample_1 . 5891 1 2 HNCO 1 $sample_1 . 5891 1 3 HNCA 1 $sample_1 . 5891 1 4 HN(CO)CA 1 $sample_1 . 5891 1 5 HNCACB 1 $sample_1 . 5891 1 6 CBCA(CO)NNH 1 $sample_1 . 5891 1 7 NOESY-NHSQC 1 $sample_1 . 5891 1 8 CCC-TOCSY-NNH 1 $sample_1 . 5891 1 9 HCC-TOCY-NNH 1 $sample_1 . 5891 1 10 HCCH-TOCSY 1 $sample_1 . 5891 1 11 HCCH-COSY 1 $sample_1 . 5891 1 12 HBCBCGCDHD 1 $sample_1 . 5891 1 13 2D-NOESY 1 $sample_1 . 5891 1 14 2D-dq-COSY 1 $sample_1 . 5891 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 ALA CA C 13 52.000 0.05 . 1 . . . . . . . . 5891 1 2 . 1 1 1 1 ALA CB C 13 19.500 0.05 . 1 . . . . . . . . 5891 1 3 . 1 1 2 2 LYS H H 1 8.533 0.02 . 1 . . . . . . . . 5891 1 4 . 1 1 2 2 LYS N N 15 121.236 0.05 . 1 . . . . . . . . 5891 1 5 . 1 1 2 2 LYS CA C 13 56.314 0.05 . 1 . . . . . . . . 5891 1 6 . 1 1 2 2 LYS HA H 1 4.235 0.02 . 1 . . . . . . . . 5891 1 7 . 1 1 2 2 LYS C C 13 176.245 0.05 . 1 . . . . . . . . 5891 1 8 . 1 1 2 2 LYS CB C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 9 . 1 1 2 2 LYS HB2 H 1 1.725 0.02 . 2 . . . . . . . . 5891 1 10 . 1 1 2 2 LYS HB3 H 1 1.682 0.02 . 2 . . . . . . . . 5891 1 11 . 1 1 2 2 LYS CG C 13 24.615 0.05 . 1 . . . . . . . . 5891 1 12 . 1 1 2 2 LYS HG2 H 1 1.364 0.02 . 1 . . . . . . . . 5891 1 13 . 1 1 2 2 LYS HG3 H 1 1.364 0.02 . 1 . . . . . . . . 5891 1 14 . 1 1 2 2 LYS CD C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 15 . 1 1 2 2 LYS HD2 H 1 1.610 0.02 . 1 . . . . . . . . 5891 1 16 . 1 1 2 2 LYS HD3 H 1 1.610 0.02 . 1 . . . . . . . . 5891 1 17 . 1 1 2 2 LYS CE C 13 41.732 0.05 . 1 . . . . . . . . 5891 1 18 . 1 1 2 2 LYS HE2 H 1 2.928 0.02 . 1 . . . . . . . . 5891 1 19 . 1 1 2 2 LYS HE3 H 1 2.928 0.02 . 1 . . . . . . . . 5891 1 20 . 1 1 3 3 LYS H H 1 8.409 0.02 . 1 . . . . . . . . 5891 1 21 . 1 1 3 3 LYS N N 15 124.022 0.05 . 1 . . . . . . . . 5891 1 22 . 1 1 3 3 LYS CA C 13 56.314 0.05 . 1 . . . . . . . . 5891 1 23 . 1 1 3 3 LYS HA H 1 4.237 0.02 . 1 . . . . . . . . 5891 1 24 . 1 1 3 3 LYS C C 13 176.397 0.05 . 1 . . . . . . . . 5891 1 25 . 1 1 3 3 LYS CB C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 26 . 1 1 3 3 LYS HB2 H 1 1.656 0.02 . 2 . . . . . . . . 5891 1 27 . 1 1 3 3 LYS CG C 13 24.615 0.05 . 1 . . . . . . . . 5891 1 28 . 1 1 3 3 LYS HG2 H 1 1.365 0.02 . 2 . . . . . . . . 5891 1 29 . 1 1 3 3 LYS CD C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 30 . 1 1 3 3 LYS CE C 13 41.732 0.05 . 1 . . . . . . . . 5891 1 31 . 1 1 3 3 LYS HE2 H 1 2.934 0.02 . 2 . . . . . . . . 5891 1 32 . 1 1 4 4 LYS H H 1 8.408 0.02 . 1 . . . . . . . . 5891 1 33 . 1 1 4 4 LYS N N 15 123.948 0.05 . 1 . . . . . . . . 5891 1 34 . 1 1 4 4 LYS CA C 13 56.314 0.05 . 1 . . . . . . . . 5891 1 35 . 1 1 4 4 LYS HA H 1 4.346 0.02 . 1 . . . . . . . . 5891 1 36 . 1 1 4 4 LYS C C 13 176.370 0.05 . 1 . . . . . . . . 5891 1 37 . 1 1 4 4 LYS CB C 13 34.124 0.05 . 1 . . . . . . . . 5891 1 38 . 1 1 4 4 LYS HB2 H 1 1.621 0.02 . 2 . . . . . . . . 5891 1 39 . 1 1 4 4 LYS HB3 H 1 1.689 0.02 . 2 . . . . . . . . 5891 1 40 . 1 1 4 4 LYS CG C 13 25.249 0.05 . 1 . . . . . . . . 5891 1 41 . 1 1 4 4 LYS HG2 H 1 1.423 0.02 . 2 . . . . . . . . 5891 1 42 . 1 1 4 4 LYS HG3 H 1 1.308 0.02 . 2 . . . . . . . . 5891 1 43 . 1 1 4 4 LYS CD C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 44 . 1 1 4 4 LYS HD2 H 1 1.452 0.02 . 2 . . . . . . . . 5891 1 45 . 1 1 4 4 LYS HD3 H 1 1.423 0.02 . 2 . . . . . . . . 5891 1 46 . 1 1 4 4 LYS CE C 13 42.366 0.05 . 1 . . . . . . . . 5891 1 47 . 1 1 4 4 LYS HE2 H 1 2.871 0.02 . 1 . . . . . . . . 5891 1 48 . 1 1 4 4 LYS HE3 H 1 2.871 0.02 . 1 . . . . . . . . 5891 1 49 . 1 1 5 5 SER H H 1 8.862 0.02 . 1 . . . . . . . . 5891 1 50 . 1 1 5 5 SER N N 15 119.035 0.05 . 1 . . . . . . . . 5891 1 51 . 1 1 5 5 SER CA C 13 65.125 0.05 . 1 . . . . . . . . 5891 1 52 . 1 1 5 5 SER HA H 1 4.460 0.02 . 1 . . . . . . . . 5891 1 53 . 1 1 5 5 SER C C 13 174.497 0.05 . 1 . . . . . . . . 5891 1 54 . 1 1 5 5 SER CB C 13 57.000 0.05 . 1 . . . . . . . . 5891 1 55 . 1 1 5 5 SER HB2 H 1 4.118 0.02 . 2 . . . . . . . . 5891 1 56 . 1 1 5 5 SER HB3 H 1 4.121 0.02 . 2 . . . . . . . . 5891 1 57 . 1 1 6 6 LYS H H 1 8.724 0.02 . 1 . . . . . . . . 5891 1 58 . 1 1 6 6 LYS N N 15 121.725 0.05 . 1 . . . . . . . . 5891 1 59 . 1 1 6 6 LYS CA C 13 60.117 0.05 . 1 . . . . . . . . 5891 1 60 . 1 1 6 6 LYS HA H 1 3.951 0.02 . 1 . . . . . . . . 5891 1 61 . 1 1 6 6 LYS C C 13 178.444 0.05 . 1 . . . . . . . . 5891 1 62 . 1 1 6 6 LYS CB C 13 32.222 0.05 . 1 . . . . . . . . 5891 1 63 . 1 1 6 6 LYS HB2 H 1 1.929 0.02 . 2 . . . . . . . . 5891 1 64 . 1 1 6 6 LYS HB3 H 1 1.753 0.02 . 2 . . . . . . . . 5891 1 65 . 1 1 6 6 LYS CG C 13 24.615 0.05 . 1 . . . . . . . . 5891 1 66 . 1 1 6 6 LYS HG2 H 1 1.318 0.02 . 1 . . . . . . . . 5891 1 67 . 1 1 6 6 LYS HG3 H 1 1.318 0.02 . 1 . . . . . . . . 5891 1 68 . 1 1 6 6 LYS CD C 13 29.686 0.05 . 1 . . . . . . . . 5891 1 69 . 1 1 6 6 LYS HD2 H 1 1.710 0.02 . 2 . . . . . . . . 5891 1 70 . 1 1 6 6 LYS HD3 H 1 1.667 0.02 . 2 . . . . . . . . 5891 1 71 . 1 1 6 6 LYS CE C 13 41.732 0.05 . 1 . . . . . . . . 5891 1 72 . 1 1 6 6 LYS HE2 H 1 2.874 0.02 . 1 . . . . . . . . 5891 1 73 . 1 1 6 6 LYS HE3 H 1 2.874 0.02 . 1 . . . . . . . . 5891 1 74 . 1 1 7 7 LEU H H 1 8.293 0.02 . 1 . . . . . . . . 5891 1 75 . 1 1 7 7 LEU N N 15 116.606 0.05 . 1 . . . . . . . . 5891 1 76 . 1 1 7 7 LEU CA C 13 57.582 0.05 . 1 . . . . . . . . 5891 1 77 . 1 1 7 7 LEU HA H 1 3.907 0.02 . 1 . . . . . . . . 5891 1 78 . 1 1 7 7 LEU C C 13 179.363 0.05 . 1 . . . . . . . . 5891 1 79 . 1 1 7 7 LEU CB C 13 41.098 0.05 . 1 . . . . . . . . 5891 1 80 . 1 1 7 7 LEU HB2 H 1 1.648 0.02 . 2 . . . . . . . . 5891 1 81 . 1 1 7 7 LEU HB3 H 1 1.477 0.02 . 2 . . . . . . . . 5891 1 82 . 1 1 7 7 LEU CG C 13 27.151 0.05 . 1 . . . . . . . . 5891 1 83 . 1 1 7 7 LEU CD1 C 13 23.845 0.05 . 2 . . . . . . . . 5891 1 84 . 1 1 7 7 LEU HD11 H 1 0.638 0.02 . 2 . . . . . . . . 5891 1 85 . 1 1 7 7 LEU HD12 H 1 0.638 0.02 . 2 . . . . . . . . 5891 1 86 . 1 1 7 7 LEU HD13 H 1 0.638 0.02 . 2 . . . . . . . . 5891 1 87 . 1 1 7 7 LEU CD2 C 13 23.981 0.05 . 2 . . . . . . . . 5891 1 88 . 1 1 7 7 LEU HD21 H 1 0.627 0.02 . 2 . . . . . . . . 5891 1 89 . 1 1 7 7 LEU HD22 H 1 0.627 0.02 . 2 . . . . . . . . 5891 1 90 . 1 1 7 7 LEU HD23 H 1 0.627 0.02 . 2 . . . . . . . . 5891 1 91 . 1 1 7 7 LEU HG H 1 1.652 0.02 . 1 . . . . . . . . 5891 1 92 . 1 1 8 8 GLU H H 1 7.688 0.02 . 1 . . . . . . . . 5891 1 93 . 1 1 8 8 GLU N N 15 119.523 0.05 . 1 . . . . . . . . 5891 1 94 . 1 1 8 8 GLU CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 95 . 1 1 8 8 GLU HA H 1 3.955 0.02 . 1 . . . . . . . . 5891 1 96 . 1 1 8 8 GLU C C 13 179.883 0.05 . 1 . . . . . . . . 5891 1 97 . 1 1 8 8 GLU CB C 13 30.303 0.05 . 1 . . . . . . . . 5891 1 98 . 1 1 8 8 GLU HB2 H 1 1.869 0.02 . 2 . . . . . . . . 5891 1 99 . 1 1 8 8 GLU HB3 H 1 2.227 0.02 . 2 . . . . . . . . 5891 1 100 . 1 1 8 8 GLU CG C 13 37.294 0.05 . 1 . . . . . . . . 5891 1 101 . 1 1 8 8 GLU HG2 H 1 2.247 0.02 . 2 . . . . . . . . 5891 1 102 . 1 1 8 8 GLU HG3 H 1 2.252 0.02 . 2 . . . . . . . . 5891 1 103 . 1 1 8 8 GLU CD C 13 179.308 0.05 . 1 . . . . . . . . 5891 1 104 . 1 1 9 9 ILE H H 1 8.069 0.02 . 1 . . . . . . . . 5891 1 105 . 1 1 9 9 ILE N N 15 123.116 0.05 . 1 . . . . . . . . 5891 1 106 . 1 1 9 9 ILE CA C 13 65.823 0.05 . 1 . . . . . . . . 5891 1 107 . 1 1 9 9 ILE HA H 1 3.378 0.02 . 1 . . . . . . . . 5891 1 108 . 1 1 9 9 ILE C C 13 177.281 0.05 . 1 . . . . . . . . 5891 1 109 . 1 1 9 9 ILE CB C 13 37.928 0.05 . 1 . . . . . . . . 5891 1 110 . 1 1 9 9 ILE HB H 1 1.703 0.02 . 1 . . . . . . . . 5891 1 111 . 1 1 9 9 ILE CG2 C 13 17.007 0.05 . 2 . . . . . . . . 5891 1 112 . 1 1 9 9 ILE HG21 H 1 0.174 0.02 . 1 . . . . . . . . 5891 1 113 . 1 1 9 9 ILE HG22 H 1 0.174 0.02 . 1 . . . . . . . . 5891 1 114 . 1 1 9 9 ILE HG23 H 1 0.174 0.02 . 1 . . . . . . . . 5891 1 115 . 1 1 9 9 ILE CG1 C 13 29.052 0.05 . 2 . . . . . . . . 5891 1 116 . 1 1 9 9 ILE HG12 H 1 1.552 0.02 . 2 . . . . . . . . 5891 1 117 . 1 1 9 9 ILE CD1 C 13 13.203 0.05 . 1 . . . . . . . . 5891 1 118 . 1 1 9 9 ILE HD11 H 1 0.654 0.02 . 1 . . . . . . . . 5891 1 119 . 1 1 9 9 ILE HD12 H 1 0.654 0.02 . 1 . . . . . . . . 5891 1 120 . 1 1 9 9 ILE HD13 H 1 0.654 0.02 . 1 . . . . . . . . 5891 1 121 . 1 1 10 10 ILE H H 1 8.218 0.02 . 1 . . . . . . . . 5891 1 122 . 1 1 10 10 ILE N N 15 117.850 0.05 . 1 . . . . . . . . 5891 1 123 . 1 1 10 10 ILE CA C 13 65.512 0.05 . 1 . . . . . . . . 5891 1 124 . 1 1 10 10 ILE HA H 1 3.286 0.02 . 1 . . . . . . . . 5891 1 125 . 1 1 10 10 ILE C C 13 177.611 0.05 . 1 . . . . . . . . 5891 1 126 . 1 1 10 10 ILE CB C 13 37.392 0.05 . 1 . . . . . . . . 5891 1 127 . 1 1 10 10 ILE HB H 1 1.845 0.02 . 1 . . . . . . . . 5891 1 128 . 1 1 10 10 ILE CG2 C 13 16.725 0.05 . 2 . . . . . . . . 5891 1 129 . 1 1 10 10 ILE HG21 H 1 0.730 0.02 . 1 . . . . . . . . 5891 1 130 . 1 1 10 10 ILE HG22 H 1 0.730 0.02 . 1 . . . . . . . . 5891 1 131 . 1 1 10 10 ILE HG23 H 1 0.730 0.02 . 1 . . . . . . . . 5891 1 132 . 1 1 10 10 ILE CG1 C 13 29.686 0.05 . 2 . . . . . . . . 5891 1 133 . 1 1 10 10 ILE HG12 H 1 1.033 0.02 . 2 . . . . . . . . 5891 1 134 . 1 1 10 10 ILE CD1 C 13 13.203 0.05 . 1 . . . . . . . . 5891 1 135 . 1 1 10 10 ILE HD11 H 1 0.752 0.02 . 1 . . . . . . . . 5891 1 136 . 1 1 10 10 ILE HD12 H 1 0.752 0.02 . 1 . . . . . . . . 5891 1 137 . 1 1 10 10 ILE HD13 H 1 0.752 0.02 . 1 . . . . . . . . 5891 1 138 . 1 1 11 11 GLN H H 1 8.658 0.02 . 1 . . . . . . . . 5891 1 139 . 1 1 11 11 GLN N N 15 118.929 0.05 . 1 . . . . . . . . 5891 1 140 . 1 1 11 11 GLN CA C 13 60.117 0.05 . 1 . . . . . . . . 5891 1 141 . 1 1 11 11 GLN HA H 1 3.516 0.02 . 1 . . . . . . . . 5891 1 142 . 1 1 11 11 GLN C C 13 176.454 0.05 . 1 . . . . . . . . 5891 1 143 . 1 1 11 11 GLN CB C 13 27.784 0.05 . 1 . . . . . . . . 5891 1 144 . 1 1 11 11 GLN HB2 H 1 2.022 0.02 . 2 . . . . . . . . 5891 1 145 . 1 1 11 11 GLN HB3 H 1 2.066 0.02 . 2 . . . . . . . . 5891 1 146 . 1 1 11 11 GLN CG C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 147 . 1 1 11 11 GLN HG2 H 1 2.309 0.02 . 1 . . . . . . . . 5891 1 148 . 1 1 11 11 GLN HG3 H 1 2.309 0.02 . 1 . . . . . . . . 5891 1 149 . 1 1 12 12 ALA H H 1 7.517 0.02 . 1 . . . . . . . . 5891 1 150 . 1 1 12 12 ALA N N 15 119.295 0.05 . 1 . . . . . . . . 5891 1 151 . 1 1 12 12 ALA CA C 13 55.125 0.05 . 1 . . . . . . . . 5891 1 152 . 1 1 12 12 ALA HA H 1 4.039 0.02 . 1 . . . . . . . . 5891 1 153 . 1 1 12 12 ALA C C 13 181.118 0.05 . 1 . . . . . . . . 5891 1 154 . 1 1 12 12 ALA CB C 13 18.250 0.05 . 1 . . . . . . . . 5891 1 155 . 1 1 12 12 ALA HB1 H 1 1.362 0.02 . 1 . . . . . . . . 5891 1 156 . 1 1 12 12 ALA HB2 H 1 1.362 0.02 . 1 . . . . . . . . 5891 1 157 . 1 1 12 12 ALA HB3 H 1 1.362 0.02 . 1 . . . . . . . . 5891 1 158 . 1 1 13 13 ILE H H 1 7.956 0.02 . 1 . . . . . . . . 5891 1 159 . 1 1 13 13 ILE N N 15 119.108 0.05 . 1 . . . . . . . . 5891 1 160 . 1 1 13 13 ILE CA C 13 65.823 0.05 . 1 . . . . . . . . 5891 1 161 . 1 1 13 13 ILE HA H 1 3.422 0.02 . 1 . . . . . . . . 5891 1 162 . 1 1 13 13 ILE C C 13 177.719 0.05 . 1 . . . . . . . . 5891 1 163 . 1 1 13 13 ILE CB C 13 37.928 0.05 . 1 . . . . . . . . 5891 1 164 . 1 1 13 13 ILE HB H 1 1.748 0.02 . 1 . . . . . . . . 5891 1 165 . 1 1 13 13 ILE CG2 C 13 16.463 0.05 . 2 . . . . . . . . 5891 1 166 . 1 1 13 13 ILE HG21 H 1 0.526 0.02 . 1 . . . . . . . . 5891 1 167 . 1 1 13 13 ILE HG22 H 1 0.526 0.02 . 1 . . . . . . . . 5891 1 168 . 1 1 13 13 ILE HG23 H 1 0.526 0.02 . 1 . . . . . . . . 5891 1 169 . 1 1 13 13 ILE CG1 C 13 27.784 0.05 . 2 . . . . . . . . 5891 1 170 . 1 1 13 13 ILE CD1 C 13 14.471 0.05 . 1 . . . . . . . . 5891 1 171 . 1 1 14 14 LEU H H 1 8.642 0.02 . 1 . . . . . . . . 5891 1 172 . 1 1 14 14 LEU N N 15 118.791 0.05 . 1 . . . . . . . . 5891 1 173 . 1 1 14 14 LEU CA C 13 58.216 0.05 . 1 . . . . . . . . 5891 1 174 . 1 1 14 14 LEU HA H 1 3.755 0.02 . 1 . . . . . . . . 5891 1 175 . 1 1 14 14 LEU C C 13 179.060 0.05 . 1 . . . . . . . . 5891 1 176 . 1 1 14 14 LEU CB C 13 41.098 0.05 . 1 . . . . . . . . 5891 1 177 . 1 1 14 14 LEU HB2 H 1 1.933 0.02 . 2 . . . . . . . . 5891 1 178 . 1 1 14 14 LEU HB3 H 1 1.352 0.02 . 2 . . . . . . . . 5891 1 179 . 1 1 14 14 LEU CG C 13 25.883 0.05 . 1 . . . . . . . . 5891 1 180 . 1 1 14 14 LEU CD1 C 13 22.713 0.05 . 2 . . . . . . . . 5891 1 181 . 1 1 14 14 LEU HD11 H 1 0.673 0.02 . 2 . . . . . . . . 5891 1 182 . 1 1 14 14 LEU HD12 H 1 0.673 0.02 . 2 . . . . . . . . 5891 1 183 . 1 1 14 14 LEU HD13 H 1 0.673 0.02 . 2 . . . . . . . . 5891 1 184 . 1 1 14 14 LEU CD2 C 13 22.560 0.05 . 2 . . . . . . . . 5891 1 185 . 1 1 14 14 LEU HD21 H 1 0.575 0.02 . 2 . . . . . . . . 5891 1 186 . 1 1 14 14 LEU HD22 H 1 0.575 0.02 . 2 . . . . . . . . 5891 1 187 . 1 1 14 14 LEU HD23 H 1 0.575 0.02 . 2 . . . . . . . . 5891 1 188 . 1 1 14 14 LEU HG H 1 1.978 0.02 . 1 . . . . . . . . 5891 1 189 . 1 1 15 15 GLU H H 1 8.819 0.02 . 1 . . . . . . . . 5891 1 190 . 1 1 15 15 GLU N N 15 116.711 0.05 . 1 . . . . . . . . 5891 1 191 . 1 1 15 15 GLU CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 192 . 1 1 15 15 GLU HA H 1 3.827 0.02 . 1 . . . . . . . . 5891 1 193 . 1 1 15 15 GLU C C 13 179.911 0.05 . 1 . . . . . . . . 5891 1 194 . 1 1 15 15 GLU CB C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 195 . 1 1 15 15 GLU HB2 H 1 2.011 0.02 . 2 . . . . . . . . 5891 1 196 . 1 1 15 15 GLU HB3 H 1 1.926 0.02 . 2 . . . . . . . . 5891 1 197 . 1 1 15 15 GLU CG C 13 37.294 0.05 . 1 . . . . . . . . 5891 1 198 . 1 1 15 15 GLU HG2 H 1 2.508 0.02 . 2 . . . . . . . . 5891 1 199 . 1 1 15 15 GLU HG3 H 1 2.261 0.02 . 2 . . . . . . . . 5891 1 200 . 1 1 15 15 GLU CD C 13 182.365 0.05 . 1 . . . . . . . . 5891 1 201 . 1 1 16 16 ALA H H 1 7.582 0.02 . 1 . . . . . . . . 5891 1 202 . 1 1 16 16 ALA N N 15 121.257 0.05 . 1 . . . . . . . . 5891 1 203 . 1 1 16 16 ALA CA C 13 54.500 0.05 . 1 . . . . . . . . 5891 1 204 . 1 1 16 16 ALA HA H 1 4.175 0.02 . 1 . . . . . . . . 5891 1 205 . 1 1 16 16 ALA C C 13 180.087 0.05 . 1 . . . . . . . . 5891 1 206 . 1 1 16 16 ALA CB C 13 18.250 0.05 . 1 . . . . . . . . 5891 1 207 . 1 1 16 16 ALA HB1 H 1 1.469 0.02 . 1 . . . . . . . . 5891 1 208 . 1 1 16 16 ALA HB2 H 1 1.469 0.02 . 1 . . . . . . . . 5891 1 209 . 1 1 16 16 ALA HB3 H 1 1.469 0.02 . 1 . . . . . . . . 5891 1 210 . 1 1 17 17 CYS H H 1 7.865 0.02 . 1 . . . . . . . . 5891 1 211 . 1 1 17 17 CYS N N 15 114.963 0.05 . 1 . . . . . . . . 5891 1 212 . 1 1 17 17 CYS CA C 13 62.000 0.05 . 1 . . . . . . . . 5891 1 213 . 1 1 17 17 CYS HA H 1 4.283 0.02 . 1 . . . . . . . . 5891 1 214 . 1 1 17 17 CYS C C 13 175.878 0.05 . 1 . . . . . . . . 5891 1 215 . 1 1 17 17 CYS CB C 13 27.625 0.05 . 1 . . . . . . . . 5891 1 216 . 1 1 17 17 CYS HB2 H 1 2.827 0.02 . 2 . . . . . . . . 5891 1 217 . 1 1 17 17 CYS HB3 H 1 2.543 0.02 . 2 . . . . . . . . 5891 1 218 . 1 1 18 18 LYS H H 1 7.779 0.02 . 1 . . . . . . . . 5891 1 219 . 1 1 18 18 LYS N N 15 123.200 0.05 . 1 . . . . . . . . 5891 1 220 . 1 1 18 18 LYS CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 221 . 1 1 18 18 LYS HA H 1 3.924 0.02 . 1 . . . . . . . . 5891 1 222 . 1 1 18 18 LYS C C 13 177.274 0.05 . 1 . . . . . . . . 5891 1 223 . 1 1 18 18 LYS CB C 13 32.222 0.05 . 1 . . . . . . . . 5891 1 224 . 1 1 18 18 LYS HB2 H 1 1.938 0.02 . 2 . . . . . . . . 5891 1 225 . 1 1 18 18 LYS HB3 H 1 1.795 0.02 . 2 . . . . . . . . 5891 1 226 . 1 1 18 18 LYS CG C 13 24.615 0.05 . 1 . . . . . . . . 5891 1 227 . 1 1 18 18 LYS HG2 H 1 1.445 0.02 . 2 . . . . . . . . 5891 1 228 . 1 1 18 18 LYS HG3 H 1 1.352 0.02 . 2 . . . . . . . . 5891 1 229 . 1 1 18 18 LYS CD C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 230 . 1 1 18 18 LYS HD2 H 1 1.613 0.02 . 2 . . . . . . . . 5891 1 231 . 1 1 18 18 LYS HD3 H 1 1.593 0.02 . 2 . . . . . . . . 5891 1 232 . 1 1 18 18 LYS CE C 13 41.833 0.05 . 1 . . . . . . . . 5891 1 233 . 1 1 18 18 LYS HE2 H 1 2.932 0.02 . 1 . . . . . . . . 5891 1 234 . 1 1 18 18 LYS HE3 H 1 2.932 0.02 . 1 . . . . . . . . 5891 1 235 . 1 1 19 19 SER H H 1 7.857 0.02 . 1 . . . . . . . . 5891 1 236 . 1 1 19 19 SER N N 15 111.030 0.05 . 1 . . . . . . . . 5891 1 237 . 1 1 19 19 SER CA C 13 58.250 0.05 . 1 . . . . . . . . 5891 1 238 . 1 1 19 19 SER HA H 1 4.574 0.02 . 1 . . . . . . . . 5891 1 239 . 1 1 19 19 SER C C 13 174.544 0.05 . 1 . . . . . . . . 5891 1 240 . 1 1 19 19 SER CB C 13 63.875 0.05 . 1 . . . . . . . . 5891 1 241 . 1 1 19 19 SER HB2 H 1 3.929 0.02 . 2 . . . . . . . . 5891 1 242 . 1 1 19 19 SER HB3 H 1 3.915 0.02 . 2 . . . . . . . . 5891 1 243 . 1 1 20 20 GLY H H 1 7.517 0.02 . 1 . . . . . . . . 5891 1 244 . 1 1 20 20 GLY N N 15 111.208 0.05 . 1 . . . . . . . . 5891 1 245 . 1 1 20 20 GLY CA C 13 45.125 0.05 . 1 . . . . . . . . 5891 1 246 . 1 1 20 20 GLY HA2 H 1 4.169 0.02 . 1 . . . . . . . . 5891 1 247 . 1 1 20 20 GLY HA3 H 1 4.169 0.02 . 1 . . . . . . . . 5891 1 248 . 1 1 20 20 GLY C C 13 173.999 0.05 . 1 . . . . . . . . 5891 1 249 . 1 1 21 21 SER H H 1 8.474 0.02 . 1 . . . . . . . . 5891 1 250 . 1 1 21 21 SER N N 15 118.260 0.05 . 1 . . . . . . . . 5891 1 251 . 1 1 21 21 SER CA C 13 57.003 0.05 . 1 . . . . . . . . 5891 1 252 . 1 1 21 21 SER HA H 1 5.129 0.02 . 1 . . . . . . . . 5891 1 253 . 1 1 21 21 SER CB C 13 67.628 0.05 . 1 . . . . . . . . 5891 1 254 . 1 1 22 22 PRO CA C 13 62.019 0.05 . 1 . . . . . . . . 5891 1 255 . 1 1 22 22 PRO C C 13 177.869 0.05 . 1 . . . . . . . . 5891 1 256 . 1 1 22 22 PRO CB C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 257 . 1 1 22 22 PRO CG C 13 27.151 0.05 . 1 . . . . . . . . 5891 1 258 . 1 1 22 22 PRO CD C 13 50.608 0.05 . 1 . . . . . . . . 5891 1 259 . 1 1 23 23 LYS H H 1 9.382 0.02 . 1 . . . . . . . . 5891 1 260 . 1 1 23 23 LYS N N 15 121.572 0.05 . 1 . . . . . . . . 5891 1 261 . 1 1 23 23 LYS CA C 13 60.751 0.05 . 1 . . . . . . . . 5891 1 262 . 1 1 23 23 LYS HA H 1 3.704 0.02 . 1 . . . . . . . . 5891 1 263 . 1 1 23 23 LYS C C 13 177.767 0.05 . 1 . . . . . . . . 5891 1 264 . 1 1 23 23 LYS CB C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 265 . 1 1 23 23 LYS HB2 H 1 1.928 0.02 . 1 . . . . . . . . 5891 1 266 . 1 1 23 23 LYS HB3 H 1 1.928 0.02 . 1 . . . . . . . . 5891 1 267 . 1 1 23 23 LYS CG C 13 25.249 0.05 . 1 . . . . . . . . 5891 1 268 . 1 1 23 23 LYS HG2 H 1 1.168 0.02 . 1 . . . . . . . . 5891 1 269 . 1 1 23 23 LYS HG3 H 1 1.168 0.02 . 1 . . . . . . . . 5891 1 270 . 1 1 23 23 LYS CD C 13 29.686 0.05 . 1 . . . . . . . . 5891 1 271 . 1 1 23 23 LYS HD2 H 1 1.550 0.02 . 1 . . . . . . . . 5891 1 272 . 1 1 23 23 LYS HD3 H 1 1.550 0.02 . 1 . . . . . . . . 5891 1 273 . 1 1 23 23 LYS CE C 13 41.732 0.05 . 1 . . . . . . . . 5891 1 274 . 1 1 23 23 LYS HE2 H 1 2.594 0.02 . 2 . . . . . . . . 5891 1 275 . 1 1 23 23 LYS HE3 H 1 2.472 0.02 . 2 . . . . . . . . 5891 1 276 . 1 1 24 24 THR H H 1 8.202 0.02 . 1 . . . . . . . . 5891 1 277 . 1 1 24 24 THR N N 15 108.702 0.05 . 1 . . . . . . . . 5891 1 278 . 1 1 24 24 THR CA C 13 65.189 0.05 . 1 . . . . . . . . 5891 1 279 . 1 1 24 24 THR HA H 1 3.957 0.02 . 1 . . . . . . . . 5891 1 280 . 1 1 24 24 THR C C 13 175.575 0.05 . 1 . . . . . . . . 5891 1 281 . 1 1 24 24 THR CB C 13 68.250 0.05 . 1 . . . . . . . . 5891 1 282 . 1 1 24 24 THR HB H 1 4.189 0.02 . 1 . . . . . . . . 5891 1 283 . 1 1 24 24 THR CG2 C 13 22.713 0.05 . 1 . . . . . . . . 5891 1 284 . 1 1 24 24 THR HG21 H 1 1.313 0.02 . 1 . . . . . . . . 5891 1 285 . 1 1 24 24 THR HG22 H 1 1.313 0.02 . 1 . . . . . . . . 5891 1 286 . 1 1 24 24 THR HG23 H 1 1.313 0.02 . 1 . . . . . . . . 5891 1 287 . 1 1 25 25 ARG H H 1 6.867 0.02 . 1 . . . . . . . . 5891 1 288 . 1 1 25 25 ARG N N 15 120.014 0.05 . 1 . . . . . . . . 5891 1 289 . 1 1 25 25 ARG CA C 13 58.216 0.05 . 1 . . . . . . . . 5891 1 290 . 1 1 25 25 ARG HA H 1 4.281 0.02 . 1 . . . . . . . . 5891 1 291 . 1 1 25 25 ARG C C 13 178.761 0.05 . 1 . . . . . . . . 5891 1 292 . 1 1 25 25 ARG CB C 13 30.320 0.05 . 1 . . . . . . . . 5891 1 293 . 1 1 25 25 ARG HB2 H 1 1.942 0.02 . 2 . . . . . . . . 5891 1 294 . 1 1 25 25 ARG HB3 H 1 1.887 0.02 . 2 . . . . . . . . 5891 1 295 . 1 1 25 25 ARG CG C 13 27.151 0.05 . 1 . . . . . . . . 5891 1 296 . 1 1 25 25 ARG HG2 H 1 1.662 0.02 . 2 . . . . . . . . 5891 1 297 . 1 1 25 25 ARG HG3 H 1 1.711 0.02 . 2 . . . . . . . . 5891 1 298 . 1 1 25 25 ARG CD C 13 43.000 0.05 . 1 . . . . . . . . 5891 1 299 . 1 1 25 25 ARG HD2 H 1 3.254 0.02 . 1 . . . . . . . . 5891 1 300 . 1 1 25 25 ARG HD3 H 1 3.254 0.02 . 1 . . . . . . . . 5891 1 301 . 1 1 26 26 ILE H H 1 7.462 0.02 . 1 . . . . . . . . 5891 1 302 . 1 1 26 26 ILE N N 15 121.602 0.05 . 1 . . . . . . . . 5891 1 303 . 1 1 26 26 ILE CA C 13 65.189 0.05 . 1 . . . . . . . . 5891 1 304 . 1 1 26 26 ILE HA H 1 3.414 0.02 . 1 . . . . . . . . 5891 1 305 . 1 1 26 26 ILE C C 13 176.340 0.05 . 1 . . . . . . . . 5891 1 306 . 1 1 26 26 ILE CB C 13 37.928 0.05 . 1 . . . . . . . . 5891 1 307 . 1 1 26 26 ILE HB H 1 1.692 0.02 . 1 . . . . . . . . 5891 1 308 . 1 1 26 26 ILE CG2 C 13 18.909 0.05 . 2 . . . . . . . . 5891 1 309 . 1 1 26 26 ILE HG21 H 1 0.617 0.02 . 1 . . . . . . . . 5891 1 310 . 1 1 26 26 ILE HG22 H 1 0.617 0.02 . 1 . . . . . . . . 5891 1 311 . 1 1 26 26 ILE HG23 H 1 0.617 0.02 . 1 . . . . . . . . 5891 1 312 . 1 1 26 26 ILE CG1 C 13 29.052 0.05 . 2 . . . . . . . . 5891 1 313 . 1 1 26 26 ILE CD1 C 13 14.471 0.05 . 1 . . . . . . . . 5891 1 314 . 1 1 26 26 ILE HD11 H 1 0.513 0.02 . 1 . . . . . . . . 5891 1 315 . 1 1 26 26 ILE HD12 H 1 0.513 0.02 . 1 . . . . . . . . 5891 1 316 . 1 1 26 26 ILE HD13 H 1 0.513 0.02 . 1 . . . . . . . . 5891 1 317 . 1 1 27 27 MET H H 1 7.943 0.02 . 1 . . . . . . . . 5891 1 318 . 1 1 27 27 MET N N 15 118.427 0.05 . 1 . . . . . . . . 5891 1 319 . 1 1 27 27 MET CA C 13 58.849 0.05 . 1 . . . . . . . . 5891 1 320 . 1 1 27 27 MET HA H 1 3.888 0.02 . 1 . . . . . . . . 5891 1 321 . 1 1 27 27 MET C C 13 177.675 0.05 . 1 . . . . . . . . 5891 1 322 . 1 1 27 27 MET CB C 13 33.490 0.05 . 1 . . . . . . . . 5891 1 323 . 1 1 27 27 MET HB2 H 1 2.097 0.02 . 2 . . . . . . . . 5891 1 324 . 1 1 27 27 MET HB3 H 1 1.890 0.02 . 2 . . . . . . . . 5891 1 325 . 1 1 27 27 MET CG C 13 30.954 0.05 . 1 . . . . . . . . 5891 1 326 . 1 1 27 27 MET HG2 H 1 2.322 0.02 . 2 . . . . . . . . 5891 1 327 . 1 1 27 27 MET HG3 H 1 2.167 0.02 . 2 . . . . . . . . 5891 1 328 . 1 1 28 28 TYR H H 1 7.655 0.02 . 1 . . . . . . . . 5891 1 329 . 1 1 28 28 TYR N N 15 116.193 0.05 . 1 . . . . . . . . 5891 1 330 . 1 1 28 28 TYR CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 331 . 1 1 28 28 TYR HA H 1 4.410 0.02 . 1 . . . . . . . . 5891 1 332 . 1 1 28 28 TYR C C 13 178.953 0.05 . 1 . . . . . . . . 5891 1 333 . 1 1 28 28 TYR CB C 13 37.928 0.05 . 1 . . . . . . . . 5891 1 334 . 1 1 28 28 TYR HB2 H 1 3.039 0.02 . 2 . . . . . . . . 5891 1 335 . 1 1 28 28 TYR HB3 H 1 3.021 0.02 . 2 . . . . . . . . 5891 1 336 . 1 1 28 28 TYR CD1 C 13 132.615 0.05 . 1 . . . . . . . . 5891 1 337 . 1 1 28 28 TYR HD1 H 1 7.140 0.02 . 1 . . . . . . . . 5891 1 338 . 1 1 28 28 TYR CD2 C 13 132.615 0.05 . 1 . . . . . . . . 5891 1 339 . 1 1 28 28 TYR HD2 H 1 7.140 0.02 . 1 . . . . . . . . 5891 1 340 . 1 1 28 28 TYR CE1 C 13 117.800 0.05 . 1 . . . . . . . . 5891 1 341 . 1 1 28 28 TYR HE1 H 1 6.780 0.02 . 1 . . . . . . . . 5891 1 342 . 1 1 28 28 TYR CE2 C 13 117.800 0.05 . 1 . . . . . . . . 5891 1 343 . 1 1 28 28 TYR HE2 H 1 6.780 0.02 . 1 . . . . . . . . 5891 1 344 . 1 1 29 29 GLY H H 1 8.321 0.02 . 1 . . . . . . . . 5891 1 345 . 1 1 29 29 GLY N N 15 108.243 0.05 . 1 . . . . . . . . 5891 1 346 . 1 1 29 29 GLY CA C 13 47.000 0.05 . 1 . . . . . . . . 5891 1 347 . 1 1 29 29 GLY HA2 H 1 3.798 0.02 . 1 . . . . . . . . 5891 1 348 . 1 1 29 29 GLY HA3 H 1 3.798 0.02 . 1 . . . . . . . . 5891 1 349 . 1 1 29 29 GLY C C 13 174.587 0.05 . 1 . . . . . . . . 5891 1 350 . 1 1 30 30 ALA H H 1 7.964 0.02 . 1 . . . . . . . . 5891 1 351 . 1 1 30 30 ALA N N 15 119.956 0.05 . 1 . . . . . . . . 5891 1 352 . 1 1 30 30 ALA CA C 13 51.242 0.05 . 1 . . . . . . . . 5891 1 353 . 1 1 30 30 ALA HA H 1 4.135 0.02 . 1 . . . . . . . . 5891 1 354 . 1 1 30 30 ALA C C 13 175.432 0.05 . 1 . . . . . . . . 5891 1 355 . 1 1 30 30 ALA CB C 13 18.909 0.05 . 1 . . . . . . . . 5891 1 356 . 1 1 30 30 ALA HB1 H 1 1.110 0.02 . 1 . . . . . . . . 5891 1 357 . 1 1 30 30 ALA HB2 H 1 1.110 0.02 . 1 . . . . . . . . 5891 1 358 . 1 1 30 30 ALA HB3 H 1 1.110 0.02 . 1 . . . . . . . . 5891 1 359 . 1 1 31 31 ASN H H 1 7.662 0.02 . 1 . . . . . . . . 5891 1 360 . 1 1 31 31 ASN N N 15 115.938 0.05 . 1 . . . . . . . . 5891 1 361 . 1 1 31 31 ASN CA C 13 53.778 0.05 . 1 . . . . . . . . 5891 1 362 . 1 1 31 31 ASN HA H 1 4.287 0.02 . 1 . . . . . . . . 5891 1 363 . 1 1 31 31 ASN C C 13 173.765 0.05 . 1 . . . . . . . . 5891 1 364 . 1 1 31 31 ASN CB C 13 37.294 0.05 . 1 . . . . . . . . 5891 1 365 . 1 1 31 31 ASN HB2 H 1 3.028 0.02 . 2 . . . . . . . . 5891 1 366 . 1 1 31 31 ASN HB3 H 1 2.503 0.02 . 2 . . . . . . . . 5891 1 367 . 1 1 32 32 LEU H H 1 7.735 0.02 . 1 . . . . . . . . 5891 1 368 . 1 1 32 32 LEU N N 15 117.966 0.05 . 1 . . . . . . . . 5891 1 369 . 1 1 32 32 LEU CA C 13 52.510 0.05 . 1 . . . . . . . . 5891 1 370 . 1 1 32 32 LEU HA H 1 4.656 0.02 . 1 . . . . . . . . 5891 1 371 . 1 1 32 32 LEU C C 13 176.746 0.05 . 1 . . . . . . . . 5891 1 372 . 1 1 32 32 LEU CB C 13 46.170 0.05 . 1 . . . . . . . . 5891 1 373 . 1 1 32 32 LEU HB2 H 1 1.590 0.02 . 2 . . . . . . . . 5891 1 374 . 1 1 32 32 LEU HB3 H 1 1.372 0.02 . 2 . . . . . . . . 5891 1 375 . 1 1 32 32 LEU CG C 13 25.773 0.05 . 1 . . . . . . . . 5891 1 376 . 1 1 32 32 LEU CD1 C 13 22.713 0.05 . 2 . . . . . . . . 5891 1 377 . 1 1 32 32 LEU HD11 H 1 0.715 0.02 . 2 . . . . . . . . 5891 1 378 . 1 1 32 32 LEU HD12 H 1 0.715 0.02 . 2 . . . . . . . . 5891 1 379 . 1 1 32 32 LEU HD13 H 1 0.715 0.02 . 2 . . . . . . . . 5891 1 380 . 1 1 32 32 LEU CD2 C 13 25.883 0.05 . 2 . . . . . . . . 5891 1 381 . 1 1 32 32 LEU HD21 H 1 0.505 0.02 . 2 . . . . . . . . 5891 1 382 . 1 1 32 32 LEU HD22 H 1 0.505 0.02 . 2 . . . . . . . . 5891 1 383 . 1 1 32 32 LEU HD23 H 1 0.505 0.02 . 2 . . . . . . . . 5891 1 384 . 1 1 32 32 LEU HG H 1 1.352 0.02 . 1 . . . . . . . . 5891 1 385 . 1 1 33 33 SER H H 1 7.666 0.02 . 1 . . . . . . . . 5891 1 386 . 1 1 33 33 SER N N 15 113.841 0.05 . 1 . . . . . . . . 5891 1 387 . 1 1 33 33 SER CA C 13 57.000 0.05 . 1 . . . . . . . . 5891 1 388 . 1 1 33 33 SER HA H 1 4.449 0.02 . 1 . . . . . . . . 5891 1 389 . 1 1 33 33 SER C C 13 176.225 0.05 . 1 . . . . . . . . 5891 1 390 . 1 1 33 33 SER CB C 13 65.125 0.05 . 1 . . . . . . . . 5891 1 391 . 1 1 33 33 SER HB2 H 1 4.279 0.02 . 1 . . . . . . . . 5891 1 392 . 1 1 33 33 SER HB3 H 1 4.279 0.02 . 1 . . . . . . . . 5891 1 393 . 1 1 34 34 TYR H H 1 9.331 0.02 . 1 . . . . . . . . 5891 1 394 . 1 1 34 34 TYR N N 15 126.441 0.05 . 1 . . . . . . . . 5891 1 395 . 1 1 34 34 TYR CA C 13 62.653 0.05 . 1 . . . . . . . . 5891 1 396 . 1 1 34 34 TYR HA H 1 4.075 0.02 . 1 . . . . . . . . 5891 1 397 . 1 1 34 34 TYR C C 13 178.785 0.05 . 1 . . . . . . . . 5891 1 398 . 1 1 34 34 TYR CB C 13 38.562 0.05 . 1 . . . . . . . . 5891 1 399 . 1 1 34 34 TYR HB2 H 1 3.129 0.02 . 2 . . . . . . . . 5891 1 400 . 1 1 34 34 TYR HB3 H 1 2.961 0.02 . 2 . . . . . . . . 5891 1 401 . 1 1 34 34 TYR CD1 C 13 132.615 0.05 . 1 . . . . . . . . 5891 1 402 . 1 1 34 34 TYR HD1 H 1 7.149 0.02 . 1 . . . . . . . . 5891 1 403 . 1 1 34 34 TYR CD2 C 13 132.615 0.05 . 1 . . . . . . . . 5891 1 404 . 1 1 34 34 TYR HD2 H 1 7.149 0.02 . 1 . . . . . . . . 5891 1 405 . 1 1 34 34 TYR CE1 C 13 118.020 0.05 . 1 . . . . . . . . 5891 1 406 . 1 1 34 34 TYR HE1 H 1 6.782 0.02 . 1 . . . . . . . . 5891 1 407 . 1 1 34 34 TYR CE2 C 13 118.020 0.05 . 1 . . . . . . . . 5891 1 408 . 1 1 34 34 TYR HE2 H 1 6.782 0.02 . 1 . . . . . . . . 5891 1 409 . 1 1 35 35 ALA H H 1 8.828 0.02 . 1 . . . . . . . . 5891 1 410 . 1 1 35 35 ALA N N 15 121.953 0.05 . 1 . . . . . . . . 5891 1 411 . 1 1 35 35 ALA CA C 13 55.125 0.05 . 1 . . . . . . . . 5891 1 412 . 1 1 35 35 ALA HA H 1 3.991 0.02 . 1 . . . . . . . . 5891 1 413 . 1 1 35 35 ALA C C 13 180.784 0.05 . 1 . . . . . . . . 5891 1 414 . 1 1 35 35 ALA CB C 13 18.875 0.05 . 1 . . . . . . . . 5891 1 415 . 1 1 35 35 ALA HB1 H 1 1.383 0.02 . 1 . . . . . . . . 5891 1 416 . 1 1 35 35 ALA HB2 H 1 1.383 0.02 . 1 . . . . . . . . 5891 1 417 . 1 1 35 35 ALA HB3 H 1 1.383 0.02 . 1 . . . . . . . . 5891 1 418 . 1 1 36 36 LEU H H 1 7.846 0.02 . 1 . . . . . . . . 5891 1 419 . 1 1 36 36 LEU N N 15 119.548 0.05 . 1 . . . . . . . . 5891 1 420 . 1 1 36 36 LEU CA C 13 57.582 0.05 . 1 . . . . . . . . 5891 1 421 . 1 1 36 36 LEU HA H 1 4.029 0.02 . 1 . . . . . . . . 5891 1 422 . 1 1 36 36 LEU C C 13 178.916 0.05 . 1 . . . . . . . . 5891 1 423 . 1 1 36 36 LEU CB C 13 42.366 0.05 . 1 . . . . . . . . 5891 1 424 . 1 1 36 36 LEU HB2 H 1 1.740 0.02 . 2 . . . . . . . . 5891 1 425 . 1 1 36 36 LEU HB3 H 1 1.634 0.02 . 2 . . . . . . . . 5891 1 426 . 1 1 36 36 LEU CG C 13 27.784 0.05 . 1 . . . . . . . . 5891 1 427 . 1 1 36 36 LEU CD1 C 13 24.615 0.05 . 2 . . . . . . . . 5891 1 428 . 1 1 36 36 LEU HD11 H 1 0.941 0.02 . 2 . . . . . . . . 5891 1 429 . 1 1 36 36 LEU HD12 H 1 0.941 0.02 . 2 . . . . . . . . 5891 1 430 . 1 1 36 36 LEU HD13 H 1 0.941 0.02 . 2 . . . . . . . . 5891 1 431 . 1 1 36 36 LEU CD2 C 13 24.970 0.05 . 2 . . . . . . . . 5891 1 432 . 1 1 36 36 LEU HD21 H 1 0.940 0.02 . 2 . . . . . . . . 5891 1 433 . 1 1 36 36 LEU HD22 H 1 0.940 0.02 . 2 . . . . . . . . 5891 1 434 . 1 1 36 36 LEU HD23 H 1 0.940 0.02 . 2 . . . . . . . . 5891 1 435 . 1 1 36 36 LEU HG H 1 1.620 0.02 . 1 . . . . . . . . 5891 1 436 . 1 1 37 37 THR H H 1 8.271 0.02 . 1 . . . . . . . . 5891 1 437 . 1 1 37 37 THR N N 15 116.719 0.05 . 1 . . . . . . . . 5891 1 438 . 1 1 37 37 THR CA C 13 68.878 0.05 . 1 . . . . . . . . 5891 1 439 . 1 1 37 37 THR HA H 1 3.505 0.02 . 1 . . . . . . . . 5891 1 440 . 1 1 37 37 THR C C 13 176.300 0.05 . 1 . . . . . . . . 5891 1 441 . 1 1 37 37 THR CB C 13 67.836 0.05 . 1 . . . . . . . . 5891 1 442 . 1 1 37 37 THR HB H 1 3.964 0.02 . 1 . . . . . . . . 5891 1 443 . 1 1 37 37 THR HG21 H 1 0.828 0.02 . 1 . . . . . . . . 5891 1 444 . 1 1 37 37 THR HG22 H 1 0.828 0.02 . 1 . . . . . . . . 5891 1 445 . 1 1 37 37 THR HG23 H 1 0.828 0.02 . 1 . . . . . . . . 5891 1 446 . 1 1 38 38 GLY H H 1 7.610 0.02 . 1 . . . . . . . . 5891 1 447 . 1 1 38 38 GLY N N 15 106.169 0.05 . 1 . . . . . . . . 5891 1 448 . 1 1 38 38 GLY CA C 13 47.625 0.05 . 1 . . . . . . . . 5891 1 449 . 1 1 38 38 GLY HA2 H 1 3.422 0.02 . 2 . . . . . . . . 5891 1 450 . 1 1 38 38 GLY HA3 H 1 3.896 0.02 . 2 . . . . . . . . 5891 1 451 . 1 1 38 38 GLY C C 13 175.991 0.05 . 1 . . . . . . . . 5891 1 452 . 1 1 39 39 ARG H H 1 7.535 0.02 . 1 . . . . . . . . 5891 1 453 . 1 1 39 39 ARG N N 15 122.022 0.05 . 1 . . . . . . . . 5891 1 454 . 1 1 39 39 ARG CA C 13 58.849 0.05 . 1 . . . . . . . . 5891 1 455 . 1 1 39 39 ARG HA H 1 3.944 0.02 . 1 . . . . . . . . 5891 1 456 . 1 1 39 39 ARG C C 13 179.332 0.05 . 1 . . . . . . . . 5891 1 457 . 1 1 39 39 ARG CB C 13 30.320 0.05 . 1 . . . . . . . . 5891 1 458 . 1 1 39 39 ARG HB2 H 1 1.831 0.02 . 2 . . . . . . . . 5891 1 459 . 1 1 39 39 ARG HB3 H 1 1.754 0.02 . 2 . . . . . . . . 5891 1 460 . 1 1 39 39 ARG CG C 13 27.151 0.05 . 1 . . . . . . . . 5891 1 461 . 1 1 39 39 ARG HG2 H 1 1.586 0.02 . 2 . . . . . . . . 5891 1 462 . 1 1 39 39 ARG HG3 H 1 1.369 0.02 . 2 . . . . . . . . 5891 1 463 . 1 1 39 39 ARG CD C 13 43.634 0.05 . 1 . . . . . . . . 5891 1 464 . 1 1 39 39 ARG HD2 H 1 2.957 0.02 . 1 . . . . . . . . 5891 1 465 . 1 1 39 39 ARG HD3 H 1 2.957 0.02 . 1 . . . . . . . . 5891 1 466 . 1 1 40 40 TYR H H 1 8.214 0.02 . 1 . . . . . . . . 5891 1 467 . 1 1 40 40 TYR N N 15 118.912 0.05 . 1 . . . . . . . . 5891 1 468 . 1 1 40 40 TYR CA C 13 62.653 0.05 . 1 . . . . . . . . 5891 1 469 . 1 1 40 40 TYR HA H 1 3.992 0.02 . 1 . . . . . . . . 5891 1 470 . 1 1 40 40 TYR C C 13 178.106 0.05 . 1 . . . . . . . . 5891 1 471 . 1 1 40 40 TYR CB C 13 38.562 0.05 . 1 . . . . . . . . 5891 1 472 . 1 1 40 40 TYR HB2 H 1 2.717 0.02 . 2 . . . . . . . . 5891 1 473 . 1 1 40 40 TYR HB3 H 1 2.516 0.02 . 2 . . . . . . . . 5891 1 474 . 1 1 40 40 TYR CD1 C 13 131.994 0.05 . 1 . . . . . . . . 5891 1 475 . 1 1 40 40 TYR HD1 H 1 6.971 0.02 . 1 . . . . . . . . 5891 1 476 . 1 1 40 40 TYR CD2 C 13 131.994 0.05 . 1 . . . . . . . . 5891 1 477 . 1 1 40 40 TYR HD2 H 1 6.971 0.02 . 1 . . . . . . . . 5891 1 478 . 1 1 40 40 TYR CE1 C 13 117.237 0.05 . 1 . . . . . . . . 5891 1 479 . 1 1 40 40 TYR HE1 H 1 6.619 0.02 . 1 . . . . . . . . 5891 1 480 . 1 1 40 40 TYR CE2 C 13 117.237 0.05 . 1 . . . . . . . . 5891 1 481 . 1 1 40 40 TYR HE2 H 1 6.619 0.02 . 1 . . . . . . . . 5891 1 482 . 1 1 41 41 ILE H H 1 8.399 0.02 . 1 . . . . . . . . 5891 1 483 . 1 1 41 41 ILE N N 15 119.082 0.05 . 1 . . . . . . . . 5891 1 484 . 1 1 41 41 ILE CA C 13 65.823 0.05 . 1 . . . . . . . . 5891 1 485 . 1 1 41 41 ILE HA H 1 3.313 0.02 . 1 . . . . . . . . 5891 1 486 . 1 1 41 41 ILE C C 13 176.956 0.05 . 1 . . . . . . . . 5891 1 487 . 1 1 41 41 ILE CB C 13 37.294 0.05 . 1 . . . . . . . . 5891 1 488 . 1 1 41 41 ILE HB H 1 1.609 0.02 . 1 . . . . . . . . 5891 1 489 . 1 1 41 41 ILE CG2 C 13 17.641 0.05 . 2 . . . . . . . . 5891 1 490 . 1 1 41 41 ILE HG21 H 1 0.378 0.02 . 1 . . . . . . . . 5891 1 491 . 1 1 41 41 ILE HG22 H 1 0.378 0.02 . 1 . . . . . . . . 5891 1 492 . 1 1 41 41 ILE HG23 H 1 0.378 0.02 . 1 . . . . . . . . 5891 1 493 . 1 1 41 41 ILE CG1 C 13 29.052 0.05 . 2 . . . . . . . . 5891 1 494 . 1 1 41 41 ILE HG12 H 1 1.400 0.02 . 2 . . . . . . . . 5891 1 495 . 1 1 41 41 ILE HG13 H 1 0.379 0.02 . 2 . . . . . . . . 5891 1 496 . 1 1 41 41 ILE CD1 C 13 13.837 0.05 . 1 . . . . . . . . 5891 1 497 . 1 1 41 41 ILE HD11 H 1 0.137 0.02 . 1 . . . . . . . . 5891 1 498 . 1 1 41 41 ILE HD12 H 1 0.137 0.02 . 1 . . . . . . . . 5891 1 499 . 1 1 41 41 ILE HD13 H 1 0.137 0.02 . 1 . . . . . . . . 5891 1 500 . 1 1 42 42 LYS H H 1 7.656 0.02 . 1 . . . . . . . . 5891 1 501 . 1 1 42 42 LYS N N 15 119.249 0.05 . 1 . . . . . . . . 5891 1 502 . 1 1 42 42 LYS CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 503 . 1 1 42 42 LYS HA H 1 3.904 0.02 . 1 . . . . . . . . 5891 1 504 . 1 1 42 42 LYS C C 13 177.511 0.05 . 1 . . . . . . . . 5891 1 505 . 1 1 42 42 LYS CB C 13 32.222 0.05 . 1 . . . . . . . . 5891 1 506 . 1 1 42 42 LYS HB2 H 1 1.766 0.02 . 2 . . . . . . . . 5891 1 507 . 1 1 42 42 LYS HB3 H 1 1.737 0.02 . 2 . . . . . . . . 5891 1 508 . 1 1 42 42 LYS CG C 13 24.615 0.05 . 1 . . . . . . . . 5891 1 509 . 1 1 42 42 LYS HG2 H 1 1.352 0.02 . 1 . . . . . . . . 5891 1 510 . 1 1 42 42 LYS HG3 H 1 1.352 0.02 . 1 . . . . . . . . 5891 1 511 . 1 1 42 42 LYS CD C 13 28.418 0.05 . 1 . . . . . . . . 5891 1 512 . 1 1 42 42 LYS HD2 H 1 1.511 0.02 . 2 . . . . . . . . 5891 1 513 . 1 1 42 42 LYS CE C 13 42.366 0.05 . 1 . . . . . . . . 5891 1 514 . 1 1 42 42 LYS HE2 H 1 2.950 0.02 . 1 . . . . . . . . 5891 1 515 . 1 1 42 42 LYS HE3 H 1 2.950 0.02 . 1 . . . . . . . . 5891 1 516 . 1 1 43 43 MET H H 1 7.556 0.02 . 1 . . . . . . . . 5891 1 517 . 1 1 43 43 MET N N 15 117.655 0.05 . 1 . . . . . . . . 5891 1 518 . 1 1 43 43 MET CA C 13 58.849 0.05 . 1 . . . . . . . . 5891 1 519 . 1 1 43 43 MET HA H 1 4.034 0.02 . 1 . . . . . . . . 5891 1 520 . 1 1 43 43 MET C C 13 177.961 0.05 . 1 . . . . . . . . 5891 1 521 . 1 1 43 43 MET CB C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 522 . 1 1 43 43 MET HB2 H 1 2.119 0.02 . 2 . . . . . . . . 5891 1 523 . 1 1 43 43 MET CG C 13 30.954 0.05 . 1 . . . . . . . . 5891 1 524 . 1 1 43 43 MET HG2 H 1 2.627 0.02 . 2 . . . . . . . . 5891 1 525 . 1 1 43 43 MET HG3 H 1 2.238 0.02 . 2 . . . . . . . . 5891 1 526 . 1 1 44 44 LEU H H 1 8.148 0.02 . 1 . . . . . . . . 5891 1 527 . 1 1 44 44 LEU N N 15 116.662 0.05 . 1 . . . . . . . . 5891 1 528 . 1 1 44 44 LEU CA C 13 57.582 0.05 . 1 . . . . . . . . 5891 1 529 . 1 1 44 44 LEU HA H 1 3.946 0.02 . 1 . . . . . . . . 5891 1 530 . 1 1 44 44 LEU CB C 13 41.732 0.05 . 1 . . . . . . . . 5891 1 531 . 1 1 44 44 LEU CD1 C 13 22.079 0.05 . 2 . . . . . . . . 5891 1 532 . 1 1 45 45 MET H H 1 8.847 0.02 . 1 . . . . . . . . 5891 1 533 . 1 1 45 45 MET N N 15 123.023 0.05 . 1 . . . . . . . . 5891 1 534 . 1 1 45 45 MET CA C 13 58.849 0.05 . 1 . . . . . . . . 5891 1 535 . 1 1 45 45 MET HA H 1 4.421 0.02 . 1 . . . . . . . . 5891 1 536 . 1 1 45 45 MET C C 13 181.028 0.05 . 1 . . . . . . . . 5891 1 537 . 1 1 45 45 MET CB C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 538 . 1 1 45 45 MET HB2 H 1 2.225 0.02 . 2 . . . . . . . . 5891 1 539 . 1 1 45 45 MET CG C 13 32.180 0.05 . 1 . . . . . . . . 5891 1 540 . 1 1 45 45 MET HG2 H 1 2.639 0.02 . 2 . . . . . . . . 5891 1 541 . 1 1 45 45 MET HG3 H 1 2.338 0.02 . 2 . . . . . . . . 5891 1 542 . 1 1 46 46 ASP H H 1 8.896 0.02 . 1 . . . . . . . . 5891 1 543 . 1 1 46 46 ASP N N 15 124.408 0.05 . 1 . . . . . . . . 5891 1 544 . 1 1 46 46 ASP CA C 13 57.625 0.05 . 1 . . . . . . . . 5891 1 545 . 1 1 46 46 ASP HA H 1 4.392 0.02 . 1 . . . . . . . . 5891 1 546 . 1 1 46 46 ASP C C 13 178.500 0.05 . 1 . . . . . . . . 5891 1 547 . 1 1 46 46 ASP CB C 13 39.500 0.05 . 1 . . . . . . . . 5891 1 548 . 1 1 46 46 ASP HB2 H 1 2.890 0.02 . 2 . . . . . . . . 5891 1 549 . 1 1 46 46 ASP HB3 H 1 2.591 0.02 . 2 . . . . . . . . 5891 1 550 . 1 1 47 47 LEU H H 1 7.306 0.02 . 1 . . . . . . . . 5891 1 551 . 1 1 47 47 LEU N N 15 117.024 0.05 . 1 . . . . . . . . 5891 1 552 . 1 1 47 47 LEU CA C 13 54.412 0.05 . 1 . . . . . . . . 5891 1 553 . 1 1 47 47 LEU HA H 1 4.362 0.02 . 1 . . . . . . . . 5891 1 554 . 1 1 47 47 LEU C C 13 175.552 0.05 . 1 . . . . . . . . 5891 1 555 . 1 1 47 47 LEU CB C 13 43.634 0.05 . 1 . . . . . . . . 5891 1 556 . 1 1 47 47 LEU HB2 H 1 1.636 0.02 . 2 . . . . . . . . 5891 1 557 . 1 1 47 47 LEU HB3 H 1 1.635 0.02 . 2 . . . . . . . . 5891 1 558 . 1 1 47 47 LEU CG C 13 26.517 0.05 . 1 . . . . . . . . 5891 1 559 . 1 1 47 47 LEU CD1 C 13 26.517 0.05 . 2 . . . . . . . . 5891 1 560 . 1 1 47 47 LEU HD11 H 1 0.854 0.02 . 2 . . . . . . . . 5891 1 561 . 1 1 47 47 LEU HD12 H 1 0.854 0.02 . 2 . . . . . . . . 5891 1 562 . 1 1 47 47 LEU HD13 H 1 0.854 0.02 . 2 . . . . . . . . 5891 1 563 . 1 1 47 47 LEU CD2 C 13 22.079 0.05 . 2 . . . . . . . . 5891 1 564 . 1 1 47 47 LEU HD21 H 1 0.851 0.02 . 2 . . . . . . . . 5891 1 565 . 1 1 47 47 LEU HD22 H 1 0.851 0.02 . 2 . . . . . . . . 5891 1 566 . 1 1 47 47 LEU HD23 H 1 0.851 0.02 . 2 . . . . . . . . 5891 1 567 . 1 1 47 47 LEU HG H 1 1.816 0.02 . 1 . . . . . . . . 5891 1 568 . 1 1 48 48 GLU H H 1 8.218 0.02 . 1 . . . . . . . . 5891 1 569 . 1 1 48 48 GLU N N 15 115.053 0.05 . 1 . . . . . . . . 5891 1 570 . 1 1 48 48 GLU CA C 13 57.582 0.05 . 1 . . . . . . . . 5891 1 571 . 1 1 48 48 GLU HA H 1 4.021 0.02 . 1 . . . . . . . . 5891 1 572 . 1 1 48 48 GLU C C 13 175.879 0.05 . 1 . . . . . . . . 5891 1 573 . 1 1 48 48 GLU CB C 13 26.517 0.05 . 1 . . . . . . . . 5891 1 574 . 1 1 48 48 GLU CG C 13 37.171 0.05 . 1 . . . . . . . . 5891 1 575 . 1 1 48 48 GLU HG2 H 1 2.203 0.02 . 2 . . . . . . . . 5891 1 576 . 1 1 48 48 GLU CD C 13 182.690 0.05 . 1 . . . . . . . . 5891 1 577 . 1 1 49 49 ILE H H 1 8.475 0.02 . 1 . . . . . . . . 5891 1 578 . 1 1 49 49 ILE N N 15 120.001 0.05 . 1 . . . . . . . . 5891 1 579 . 1 1 49 49 ILE CA C 13 62.653 0.05 . 1 . . . . . . . . 5891 1 580 . 1 1 49 49 ILE HA H 1 3.529 0.02 . 1 . . . . . . . . 5891 1 581 . 1 1 49 49 ILE C C 13 174.502 0.05 . 1 . . . . . . . . 5891 1 582 . 1 1 49 49 ILE CB C 13 38.562 0.05 . 1 . . . . . . . . 5891 1 583 . 1 1 49 49 ILE HB H 1 1.832 0.02 . 1 . . . . . . . . 5891 1 584 . 1 1 49 49 ILE CG2 C 13 20.177 0.05 . 2 . . . . . . . . 5891 1 585 . 1 1 49 49 ILE HG21 H 1 0.882 0.02 . 1 . . . . . . . . 5891 1 586 . 1 1 49 49 ILE HG22 H 1 0.882 0.02 . 1 . . . . . . . . 5891 1 587 . 1 1 49 49 ILE HG23 H 1 0.882 0.02 . 1 . . . . . . . . 5891 1 588 . 1 1 49 49 ILE CG1 C 13 29.052 0.05 . 2 . . . . . . . . 5891 1 589 . 1 1 49 49 ILE HG12 H 1 1.468 0.02 . 2 . . . . . . . . 5891 1 590 . 1 1 49 49 ILE HG13 H 1 0.814 0.02 . 2 . . . . . . . . 5891 1 591 . 1 1 49 49 ILE CD1 C 13 13.837 0.05 . 1 . . . . . . . . 5891 1 592 . 1 1 49 49 ILE HD11 H 1 0.679 0.02 . 1 . . . . . . . . 5891 1 593 . 1 1 49 49 ILE HD12 H 1 0.679 0.02 . 1 . . . . . . . . 5891 1 594 . 1 1 49 49 ILE HD13 H 1 0.679 0.02 . 1 . . . . . . . . 5891 1 595 . 1 1 50 50 ILE H H 1 6.858 0.02 . 1 . . . . . . . . 5891 1 596 . 1 1 50 50 ILE N N 15 111.143 0.05 . 1 . . . . . . . . 5891 1 597 . 1 1 50 50 ILE CA C 13 58.216 0.05 . 1 . . . . . . . . 5891 1 598 . 1 1 50 50 ILE HA H 1 5.191 0.02 . 1 . . . . . . . . 5891 1 599 . 1 1 50 50 ILE C C 13 173.395 0.05 . 1 . . . . . . . . 5891 1 600 . 1 1 50 50 ILE CB C 13 41.732 0.05 . 1 . . . . . . . . 5891 1 601 . 1 1 50 50 ILE HB H 1 1.782 0.02 . 1 . . . . . . . . 5891 1 602 . 1 1 50 50 ILE CG2 C 13 18.275 0.05 . 2 . . . . . . . . 5891 1 603 . 1 1 50 50 ILE HG21 H 1 0.837 0.02 . 1 . . . . . . . . 5891 1 604 . 1 1 50 50 ILE HG22 H 1 0.837 0.02 . 1 . . . . . . . . 5891 1 605 . 1 1 50 50 ILE HG23 H 1 0.837 0.02 . 1 . . . . . . . . 5891 1 606 . 1 1 50 50 ILE CG1 C 13 25.249 0.05 . 2 . . . . . . . . 5891 1 607 . 1 1 50 50 ILE HG12 H 1 0.665 0.02 . 2 . . . . . . . . 5891 1 608 . 1 1 50 50 ILE HG13 H 1 1.168 0.02 . 2 . . . . . . . . 5891 1 609 . 1 1 50 50 ILE CD1 C 13 13.837 0.05 . 1 . . . . . . . . 5891 1 610 . 1 1 50 50 ILE HD11 H 1 0.620 0.02 . 1 . . . . . . . . 5891 1 611 . 1 1 50 50 ILE HD12 H 1 0.620 0.02 . 1 . . . . . . . . 5891 1 612 . 1 1 50 50 ILE HD13 H 1 0.620 0.02 . 1 . . . . . . . . 5891 1 613 . 1 1 51 51 ARG H H 1 9.270 0.02 . 1 . . . . . . . . 5891 1 614 . 1 1 51 51 ARG N N 15 119.050 0.05 . 1 . . . . . . . . 5891 1 615 . 1 1 51 51 ARG CA C 13 53.778 0.05 . 1 . . . . . . . . 5891 1 616 . 1 1 51 51 ARG HA H 1 4.793 0.02 . 1 . . . . . . . . 5891 1 617 . 1 1 51 51 ARG C C 13 172.943 0.05 . 1 . . . . . . . . 5891 1 618 . 1 1 51 51 ARG CB C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 619 . 1 1 51 51 ARG HB2 H 1 1.760 0.02 . 2 . . . . . . . . 5891 1 620 . 1 1 51 51 ARG HB3 H 1 1.462 0.02 . 2 . . . . . . . . 5891 1 621 . 1 1 51 51 ARG CG C 13 26.517 0.05 . 1 . . . . . . . . 5891 1 622 . 1 1 51 51 ARG HG2 H 1 1.210 0.02 . 2 . . . . . . . . 5891 1 623 . 1 1 51 51 ARG HG3 H 1 0.723 0.02 . 2 . . . . . . . . 5891 1 624 . 1 1 51 51 ARG CD C 13 42.962 0.05 . 1 . . . . . . . . 5891 1 625 . 1 1 51 51 ARG HD2 H 1 3.108 0.02 . 2 . . . . . . . . 5891 1 626 . 1 1 51 51 ARG HD3 H 1 2.977 0.02 . 2 . . . . . . . . 5891 1 627 . 1 1 52 52 GLN H H 1 8.858 0.02 . 1 . . . . . . . . 5891 1 628 . 1 1 52 52 GLN N N 15 123.025 0.05 . 1 . . . . . . . . 5891 1 629 . 1 1 52 52 GLN CA C 13 54.412 0.05 . 1 . . . . . . . . 5891 1 630 . 1 1 52 52 GLN HA H 1 4.620 0.02 . 1 . . . . . . . . 5891 1 631 . 1 1 52 52 GLN C C 13 174.956 0.05 . 1 . . . . . . . . 5891 1 632 . 1 1 52 52 GLN CB C 13 30.320 0.05 . 1 . . . . . . . . 5891 1 633 . 1 1 52 52 GLN HB2 H 1 1.775 0.02 . 2 . . . . . . . . 5891 1 634 . 1 1 52 52 GLN CG C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 635 . 1 1 52 52 GLN HG3 H 1 1.652 0.02 . 2 . . . . . . . . 5891 1 636 . 1 1 53 53 GLU H H 1 8.725 0.02 . 1 . . . . . . . . 5891 1 637 . 1 1 53 53 GLU N N 15 128.958 0.05 . 1 . . . . . . . . 5891 1 638 . 1 1 53 53 GLU CA C 13 55.046 0.05 . 1 . . . . . . . . 5891 1 639 . 1 1 53 53 GLU HA H 1 4.387 0.02 . 1 . . . . . . . . 5891 1 640 . 1 1 53 53 GLU C C 13 175.856 0.05 . 1 . . . . . . . . 5891 1 641 . 1 1 53 53 GLU CB C 13 30.954 0.05 . 1 . . . . . . . . 5891 1 642 . 1 1 53 53 GLU HB2 H 1 1.784 0.02 . 2 . . . . . . . . 5891 1 643 . 1 1 53 53 GLU HB3 H 1 1.605 0.02 . 2 . . . . . . . . 5891 1 644 . 1 1 53 53 GLU CG C 13 36.026 0.05 . 1 . . . . . . . . 5891 1 645 . 1 1 53 53 GLU HG2 H 1 2.022 0.02 . 1 . . . . . . . . 5891 1 646 . 1 1 53 53 GLU HG3 H 1 2.022 0.02 . 1 . . . . . . . . 5891 1 647 . 1 1 53 53 GLU CD C 13 182.473 0.05 . 1 . . . . . . . . 5891 1 648 . 1 1 54 54 GLY H H 1 8.957 0.02 . 1 . . . . . . . . 5891 1 649 . 1 1 54 54 GLY N N 15 117.351 0.05 . 1 . . . . . . . . 5891 1 650 . 1 1 54 54 GLY CA C 13 47.000 0.05 . 1 . . . . . . . . 5891 1 651 . 1 1 54 54 GLY HA2 H 1 3.521 0.02 . 2 . . . . . . . . 5891 1 652 . 1 1 54 54 GLY HA3 H 1 3.892 0.02 . 2 . . . . . . . . 5891 1 653 . 1 1 54 54 GLY C C 13 174.666 0.05 . 1 . . . . . . . . 5891 1 654 . 1 1 55 55 LYS H H 1 8.855 0.02 . 1 . . . . . . . . 5891 1 655 . 1 1 55 55 LYS N N 15 125.988 0.05 . 1 . . . . . . . . 5891 1 656 . 1 1 55 55 LYS CA C 13 55.680 0.05 . 1 . . . . . . . . 5891 1 657 . 1 1 55 55 LYS HA H 1 4.198 0.02 . 1 . . . . . . . . 5891 1 658 . 1 1 55 55 LYS C C 13 175.431 0.05 . 1 . . . . . . . . 5891 1 659 . 1 1 55 55 LYS CB C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 660 . 1 1 55 55 LYS HB2 H 1 1.981 0.02 . 2 . . . . . . . . 5891 1 661 . 1 1 55 55 LYS HB3 H 1 1.691 0.02 . 2 . . . . . . . . 5891 1 662 . 1 1 55 55 LYS CG C 13 24.615 0.05 . 1 . . . . . . . . 5891 1 663 . 1 1 55 55 LYS HG2 H 1 1.383 0.02 . 1 . . . . . . . . 5891 1 664 . 1 1 55 55 LYS HG3 H 1 1.383 0.02 . 1 . . . . . . . . 5891 1 665 . 1 1 55 55 LYS CD C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 666 . 1 1 55 55 LYS HD2 H 1 1.640 0.02 . 2 . . . . . . . . 5891 1 667 . 1 1 55 55 LYS HD3 H 1 1.562 0.02 . 2 . . . . . . . . 5891 1 668 . 1 1 55 55 LYS CE C 13 42.366 0.05 . 1 . . . . . . . . 5891 1 669 . 1 1 55 55 LYS HE2 H 1 2.936 0.02 . 1 . . . . . . . . 5891 1 670 . 1 1 55 55 LYS HE3 H 1 2.936 0.02 . 1 . . . . . . . . 5891 1 671 . 1 1 56 56 GLN H H 1 7.695 0.02 . 1 . . . . . . . . 5891 1 672 . 1 1 56 56 GLN N N 15 117.076 0.05 . 1 . . . . . . . . 5891 1 673 . 1 1 56 56 GLN CA C 13 54.412 0.05 . 1 . . . . . . . . 5891 1 674 . 1 1 56 56 GLN HA H 1 4.309 0.02 . 1 . . . . . . . . 5891 1 675 . 1 1 56 56 GLN C C 13 173.404 0.05 . 1 . . . . . . . . 5891 1 676 . 1 1 56 56 GLN CB C 13 32.222 0.05 . 1 . . . . . . . . 5891 1 677 . 1 1 56 56 GLN HB2 H 1 1.895 0.02 . 2 . . . . . . . . 5891 1 678 . 1 1 56 56 GLN HB3 H 1 1.750 0.02 . 2 . . . . . . . . 5891 1 679 . 1 1 56 56 GLN CG C 13 34.124 0.05 . 1 . . . . . . . . 5891 1 680 . 1 1 56 56 GLN HG2 H 1 2.203 0.02 . 2 . . . . . . . . 5891 1 681 . 1 1 56 56 GLN HG3 H 1 2.023 0.02 . 2 . . . . . . . . 5891 1 682 . 1 1 57 57 TYR H H 1 8.480 0.02 . 1 . . . . . . . . 5891 1 683 . 1 1 57 57 TYR N N 15 120.001 0.05 . 1 . . . . . . . . 5891 1 684 . 1 1 57 57 TYR CA C 13 57.582 0.05 . 1 . . . . . . . . 5891 1 685 . 1 1 57 57 TYR HA H 1 5.069 0.02 . 1 . . . . . . . . 5891 1 686 . 1 1 57 57 TYR C C 13 174.957 0.05 . 1 . . . . . . . . 5891 1 687 . 1 1 57 57 TYR CB C 13 40.464 0.05 . 1 . . . . . . . . 5891 1 688 . 1 1 57 57 TYR HB2 H 1 2.878 0.02 . 2 . . . . . . . . 5891 1 689 . 1 1 57 57 TYR HB3 H 1 2.710 0.02 . 2 . . . . . . . . 5891 1 690 . 1 1 57 57 TYR CD1 C 13 132.386 0.05 . 1 . . . . . . . . 5891 1 691 . 1 1 57 57 TYR HD1 H 1 6.937 0.02 . 1 . . . . . . . . 5891 1 692 . 1 1 57 57 TYR CD2 C 13 132.386 0.05 . 1 . . . . . . . . 5891 1 693 . 1 1 57 57 TYR HD2 H 1 6.937 0.02 . 1 . . . . . . . . 5891 1 694 . 1 1 57 57 TYR CE1 C 13 117.498 0.05 . 1 . . . . . . . . 5891 1 695 . 1 1 57 57 TYR HE1 H 1 6.669 0.02 . 1 . . . . . . . . 5891 1 696 . 1 1 57 57 TYR CE2 C 13 117.498 0.05 . 1 . . . . . . . . 5891 1 697 . 1 1 57 57 TYR HE2 H 1 6.669 0.02 . 1 . . . . . . . . 5891 1 698 . 1 1 58 58 MET H H 1 8.900 0.02 . 1 . . . . . . . . 5891 1 699 . 1 1 58 58 MET N N 15 119.079 0.05 . 1 . . . . . . . . 5891 1 700 . 1 1 58 58 MET CA C 13 53.778 0.05 . 1 . . . . . . . . 5891 1 701 . 1 1 58 58 MET HA H 1 5.306 0.02 . 1 . . . . . . . . 5891 1 702 . 1 1 58 58 MET C C 13 175.595 0.05 . 1 . . . . . . . . 5891 1 703 . 1 1 58 58 MET CB C 13 36.660 0.05 . 1 . . . . . . . . 5891 1 704 . 1 1 58 58 MET HB2 H 1 2.130 0.02 . 2 . . . . . . . . 5891 1 705 . 1 1 58 58 MET HB3 H 1 1.614 0.02 . 2 . . . . . . . . 5891 1 706 . 1 1 58 58 MET CG C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 707 . 1 1 58 58 MET HG2 H 1 2.346 0.02 . 1 . . . . . . . . 5891 1 708 . 1 1 58 58 MET HG3 H 1 2.346 0.02 . 1 . . . . . . . . 5891 1 709 . 1 1 59 59 LEU H H 1 8.376 0.02 . 1 . . . . . . . . 5891 1 710 . 1 1 59 59 LEU N N 15 119.858 0.05 . 1 . . . . . . . . 5891 1 711 . 1 1 59 59 LEU CA C 13 55.046 0.05 . 1 . . . . . . . . 5891 1 712 . 1 1 59 59 LEU HA H 1 4.695 0.02 . 1 . . . . . . . . 5891 1 713 . 1 1 59 59 LEU C C 13 178.994 0.05 . 1 . . . . . . . . 5891 1 714 . 1 1 59 59 LEU CB C 13 43.000 0.05 . 1 . . . . . . . . 5891 1 715 . 1 1 59 59 LEU HB2 H 1 1.714 0.02 . 2 . . . . . . . . 5891 1 716 . 1 1 59 59 LEU HB3 H 1 1.697 0.02 . 2 . . . . . . . . 5891 1 717 . 1 1 59 59 LEU CG C 13 25.243 0.05 . 1 . . . . . . . . 5891 1 718 . 1 1 59 59 LEU CD1 C 13 26.518 0.05 . 2 . . . . . . . . 5891 1 719 . 1 1 59 59 LEU HD11 H 1 0.840 0.02 . 2 . . . . . . . . 5891 1 720 . 1 1 59 59 LEU HD12 H 1 0.840 0.02 . 2 . . . . . . . . 5891 1 721 . 1 1 59 59 LEU HD13 H 1 0.840 0.02 . 2 . . . . . . . . 5891 1 722 . 1 1 59 59 LEU HD21 H 1 0.851 0.02 . 2 . . . . . . . . 5891 1 723 . 1 1 59 59 LEU HD22 H 1 0.851 0.02 . 2 . . . . . . . . 5891 1 724 . 1 1 59 59 LEU HD23 H 1 0.851 0.02 . 2 . . . . . . . . 5891 1 725 . 1 1 59 59 LEU HG H 1 1.510 0.02 . 1 . . . . . . . . 5891 1 726 . 1 1 60 60 THR H H 1 7.508 0.02 . 1 . . . . . . . . 5891 1 727 . 1 1 60 60 THR N N 15 112.269 0.05 . 1 . . . . . . . . 5891 1 728 . 1 1 60 60 THR CA C 13 60.117 0.05 . 1 . . . . . . . . 5891 1 729 . 1 1 60 60 THR HA H 1 4.504 0.02 . 1 . . . . . . . . 5891 1 730 . 1 1 60 60 THR C C 13 175.182 0.05 . 1 . . . . . . . . 5891 1 731 . 1 1 60 60 THR CB C 13 70.750 0.05 . 1 . . . . . . . . 5891 1 732 . 1 1 60 60 THR HB H 1 4.704 0.02 . 1 . . . . . . . . 5891 1 733 . 1 1 60 60 THR CG2 C 13 21.445 0.05 . 1 . . . . . . . . 5891 1 734 . 1 1 60 60 THR HG21 H 1 0.877 0.02 . 1 . . . . . . . . 5891 1 735 . 1 1 60 60 THR HG22 H 1 0.877 0.02 . 1 . . . . . . . . 5891 1 736 . 1 1 60 60 THR HG23 H 1 0.877 0.02 . 1 . . . . . . . . 5891 1 737 . 1 1 61 61 LYS H H 1 8.818 0.02 . 1 . . . . . . . . 5891 1 738 . 1 1 61 61 LYS N N 15 122.037 0.05 . 1 . . . . . . . . 5891 1 739 . 1 1 61 61 LYS CA C 13 60.117 0.05 . 1 . . . . . . . . 5891 1 740 . 1 1 61 61 LYS HA H 1 4.063 0.02 . 1 . . . . . . . . 5891 1 741 . 1 1 61 61 LYS C C 13 178.870 0.05 . 1 . . . . . . . . 5891 1 742 . 1 1 61 61 LYS CB C 13 31.588 0.05 . 1 . . . . . . . . 5891 1 743 . 1 1 61 61 LYS HB2 H 1 1.832 0.02 . 1 . . . . . . . . 5891 1 744 . 1 1 61 61 LYS HB3 H 1 1.832 0.02 . 1 . . . . . . . . 5891 1 745 . 1 1 61 61 LYS CG C 13 24.615 0.05 . 1 . . . . . . . . 5891 1 746 . 1 1 61 61 LYS HG2 H 1 1.461 0.02 . 2 . . . . . . . . 5891 1 747 . 1 1 61 61 LYS HG3 H 1 1.466 0.02 . 2 . . . . . . . . 5891 1 748 . 1 1 61 61 LYS CD C 13 28.418 0.05 . 1 . . . . . . . . 5891 1 749 . 1 1 61 61 LYS HD2 H 1 1.651 0.02 . 2 . . . . . . . . 5891 1 750 . 1 1 61 61 LYS CE C 13 41.732 0.05 . 1 . . . . . . . . 5891 1 751 . 1 1 61 61 LYS HE2 H 1 2.935 0.02 . 1 . . . . . . . . 5891 1 752 . 1 1 61 61 LYS HE3 H 1 2.935 0.02 . 1 . . . . . . . . 5891 1 753 . 1 1 62 62 LYS H H 1 8.165 0.02 . 1 . . . . . . . . 5891 1 754 . 1 1 62 62 LYS N N 15 120.199 0.05 . 1 . . . . . . . . 5891 1 755 . 1 1 62 62 LYS CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 756 . 1 1 62 62 LYS HA H 1 4.080 0.02 . 1 . . . . . . . . 5891 1 757 . 1 1 62 62 LYS C C 13 179.668 0.05 . 1 . . . . . . . . 5891 1 758 . 1 1 62 62 LYS CB C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 759 . 1 1 62 62 LYS HB2 H 1 1.893 0.02 . 2 . . . . . . . . 5891 1 760 . 1 1 62 62 LYS CG C 13 24.615 0.05 . 1 . . . . . . . . 5891 1 761 . 1 1 62 62 LYS HG2 H 1 1.047 0.02 . 2 . . . . . . . . 5891 1 762 . 1 1 62 62 LYS CD C 13 29.686 0.05 . 1 . . . . . . . . 5891 1 763 . 1 1 62 62 LYS HD2 H 1 1.644 0.02 . 2 . . . . . . . . 5891 1 764 . 1 1 62 62 LYS HD3 H 1 1.504 0.02 . 2 . . . . . . . . 5891 1 765 . 1 1 62 62 LYS CE C 13 42.366 0.05 . 1 . . . . . . . . 5891 1 766 . 1 1 62 62 LYS HE2 H 1 2.960 0.02 . 2 . . . . . . . . 5891 1 767 . 1 1 62 62 LYS HE3 H 1 2.727 0.02 . 2 . . . . . . . . 5891 1 768 . 1 1 63 63 GLY H H 1 8.055 0.02 . 1 . . . . . . . . 5891 1 769 . 1 1 63 63 GLY N N 15 108.483 0.05 . 1 . . . . . . . . 5891 1 770 . 1 1 63 63 GLY CA C 13 48.875 0.05 . 1 . . . . . . . . 5891 1 771 . 1 1 63 63 GLY HA2 H 1 3.813 0.02 . 2 . . . . . . . . 5891 1 772 . 1 1 63 63 GLY HA3 H 1 4.310 0.02 . 2 . . . . . . . . 5891 1 773 . 1 1 63 63 GLY C C 13 174.836 0.05 . 1 . . . . . . . . 5891 1 774 . 1 1 64 64 GLU H H 1 8.765 0.02 . 1 . . . . . . . . 5891 1 775 . 1 1 64 64 GLU N N 15 123.005 0.05 . 1 . . . . . . . . 5891 1 776 . 1 1 64 64 GLU CA C 13 60.117 0.05 . 1 . . . . . . . . 5891 1 777 . 1 1 64 64 GLU HA H 1 3.902 0.02 . 1 . . . . . . . . 5891 1 778 . 1 1 64 64 GLU C C 13 179.439 0.05 . 1 . . . . . . . . 5891 1 779 . 1 1 64 64 GLU CB C 13 29.686 0.05 . 1 . . . . . . . . 5891 1 780 . 1 1 64 64 GLU HB2 H 1 2.124 0.02 . 2 . . . . . . . . 5891 1 781 . 1 1 64 64 GLU CG C 13 36.660 0.05 . 1 . . . . . . . . 5891 1 782 . 1 1 64 64 GLU HG2 H 1 2.355 0.02 . 2 . . . . . . . . 5891 1 783 . 1 1 64 64 GLU HG3 H 1 2.174 0.02 . 2 . . . . . . . . 5891 1 784 . 1 1 65 65 GLU H H 1 7.907 0.02 . 1 . . . . . . . . 5891 1 785 . 1 1 65 65 GLU N N 15 120.106 0.05 . 1 . . . . . . . . 5891 1 786 . 1 1 65 65 GLU CA C 13 58.849 0.05 . 1 . . . . . . . . 5891 1 787 . 1 1 65 65 GLU HA H 1 3.936 0.02 . 1 . . . . . . . . 5891 1 788 . 1 1 65 65 GLU C C 13 178.190 0.05 . 1 . . . . . . . . 5891 1 789 . 1 1 65 65 GLU CB C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 790 . 1 1 65 65 GLU HB2 H 1 2.183 0.02 . 2 . . . . . . . . 5891 1 791 . 1 1 65 65 GLU HB3 H 1 2.041 0.02 . 2 . . . . . . . . 5891 1 792 . 1 1 65 65 GLU CG C 13 36.026 0.05 . 1 . . . . . . . . 5891 1 793 . 1 1 65 65 GLU HG2 H 1 2.376 0.02 . 2 . . . . . . . . 5891 1 794 . 1 1 65 65 GLU HG3 H 1 2.157 0.02 . 2 . . . . . . . . 5891 1 795 . 1 1 65 65 GLU CD C 13 182.683 0.05 . 1 . . . . . . . . 5891 1 796 . 1 1 66 66 LEU H H 1 7.965 0.02 . 1 . . . . . . . . 5891 1 797 . 1 1 66 66 LEU N N 15 119.956 0.05 . 1 . . . . . . . . 5891 1 798 . 1 1 66 66 LEU CA C 13 57.582 0.05 . 1 . . . . . . . . 5891 1 799 . 1 1 66 66 LEU HA H 1 4.266 0.02 . 1 . . . . . . . . 5891 1 800 . 1 1 66 66 LEU C C 13 178.099 0.05 . 1 . . . . . . . . 5891 1 801 . 1 1 66 66 LEU CB C 13 41.098 0.05 . 1 . . . . . . . . 5891 1 802 . 1 1 66 66 LEU HB2 H 1 1.886 0.02 . 2 . . . . . . . . 5891 1 803 . 1 1 66 66 LEU HB3 H 1 1.549 0.02 . 2 . . . . . . . . 5891 1 804 . 1 1 66 66 LEU CG C 13 27.151 0.05 . 1 . . . . . . . . 5891 1 805 . 1 1 66 66 LEU CD1 C 13 27.151 0.05 . 2 . . . . . . . . 5891 1 806 . 1 1 66 66 LEU HD11 H 1 0.943 0.02 . 2 . . . . . . . . 5891 1 807 . 1 1 66 66 LEU HD12 H 1 0.943 0.02 . 2 . . . . . . . . 5891 1 808 . 1 1 66 66 LEU HD13 H 1 0.943 0.02 . 2 . . . . . . . . 5891 1 809 . 1 1 66 66 LEU CD2 C 13 23.347 0.05 . 2 . . . . . . . . 5891 1 810 . 1 1 66 66 LEU HD21 H 1 0.818 0.02 . 2 . . . . . . . . 5891 1 811 . 1 1 66 66 LEU HD22 H 1 0.818 0.02 . 2 . . . . . . . . 5891 1 812 . 1 1 66 66 LEU HD23 H 1 0.818 0.02 . 2 . . . . . . . . 5891 1 813 . 1 1 66 66 LEU HG H 1 1.454 0.02 . 1 . . . . . . . . 5891 1 814 . 1 1 67 67 LEU H H 1 8.470 0.02 . 1 . . . . . . . . 5891 1 815 . 1 1 67 67 LEU N N 15 119.157 0.05 . 1 . . . . . . . . 5891 1 816 . 1 1 67 67 LEU CA C 13 58.216 0.05 . 1 . . . . . . . . 5891 1 817 . 1 1 67 67 LEU HA H 1 3.910 0.02 . 1 . . . . . . . . 5891 1 818 . 1 1 67 67 LEU C C 13 175.405 0.05 . 1 . . . . . . . . 5891 1 819 . 1 1 67 67 LEU CB C 13 40.464 0.05 . 1 . . . . . . . . 5891 1 820 . 1 1 67 67 LEU HB2 H 1 2.058 0.02 . 2 . . . . . . . . 5891 1 821 . 1 1 67 67 LEU HB3 H 1 1.370 0.02 . 2 . . . . . . . . 5891 1 822 . 1 1 67 67 LEU CG C 13 27.218 0.05 . 1 . . . . . . . . 5891 1 823 . 1 1 67 67 LEU CD1 C 13 22.713 0.05 . 2 . . . . . . . . 5891 1 824 . 1 1 67 67 LEU HD11 H 1 1.006 0.02 . 2 . . . . . . . . 5891 1 825 . 1 1 67 67 LEU HD12 H 1 1.006 0.02 . 2 . . . . . . . . 5891 1 826 . 1 1 67 67 LEU HD13 H 1 1.006 0.02 . 2 . . . . . . . . 5891 1 827 . 1 1 67 67 LEU CD2 C 13 25.883 0.05 . 2 . . . . . . . . 5891 1 828 . 1 1 67 67 LEU HD21 H 1 0.784 0.02 . 2 . . . . . . . . 5891 1 829 . 1 1 67 67 LEU HD22 H 1 0.784 0.02 . 2 . . . . . . . . 5891 1 830 . 1 1 67 67 LEU HD23 H 1 0.784 0.02 . 2 . . . . . . . . 5891 1 831 . 1 1 67 67 LEU HG H 1 1.450 0.02 . 1 . . . . . . . . 5891 1 832 . 1 1 68 68 GLU H H 1 7.667 0.02 . 1 . . . . . . . . 5891 1 833 . 1 1 68 68 GLU N N 15 117.772 0.05 . 1 . . . . . . . . 5891 1 834 . 1 1 68 68 GLU CA C 13 58.849 0.05 . 1 . . . . . . . . 5891 1 835 . 1 1 68 68 GLU HA H 1 4.043 0.02 . 1 . . . . . . . . 5891 1 836 . 1 1 68 68 GLU C C 13 179.037 0.05 . 1 . . . . . . . . 5891 1 837 . 1 1 68 68 GLU CB C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 838 . 1 1 68 68 GLU HB2 H 1 2.077 0.02 . 2 . . . . . . . . 5891 1 839 . 1 1 68 68 GLU CG C 13 36.026 0.05 . 1 . . . . . . . . 5891 1 840 . 1 1 68 68 GLU HG2 H 1 2.321 0.02 . 2 . . . . . . . . 5891 1 841 . 1 1 68 68 GLU HG3 H 1 2.300 0.02 . 2 . . . . . . . . 5891 1 842 . 1 1 68 68 GLU CD C 13 182.689 0.05 . 1 . . . . . . . . 5891 1 843 . 1 1 69 69 ASP H H 1 8.179 0.02 . 1 . . . . . . . . 5891 1 844 . 1 1 69 69 ASP N N 15 121.251 0.05 . 1 . . . . . . . . 5891 1 845 . 1 1 69 69 ASP CA C 13 58.253 0.05 . 1 . . . . . . . . 5891 1 846 . 1 1 69 69 ASP HA H 1 4.490 0.02 . 1 . . . . . . . . 5891 1 847 . 1 1 69 69 ASP C C 13 178.437 0.05 . 1 . . . . . . . . 5891 1 848 . 1 1 69 69 ASP CB C 13 39.906 0.05 . 1 . . . . . . . . 5891 1 849 . 1 1 69 69 ASP HB2 H 1 2.896 0.02 . 2 . . . . . . . . 5891 1 850 . 1 1 69 69 ASP HB3 H 1 2.309 0.02 . 2 . . . . . . . . 5891 1 851 . 1 1 70 70 ILE H H 1 8.791 0.02 . 1 . . . . . . . . 5891 1 852 . 1 1 70 70 ILE N N 15 121.222 0.05 . 1 . . . . . . . . 5891 1 853 . 1 1 70 70 ILE CA C 13 66.457 0.05 . 1 . . . . . . . . 5891 1 854 . 1 1 70 70 ILE HA H 1 3.530 0.02 . 1 . . . . . . . . 5891 1 855 . 1 1 70 70 ILE C C 13 177.628 0.05 . 1 . . . . . . . . 5891 1 856 . 1 1 70 70 ILE CB C 13 38.562 0.05 . 1 . . . . . . . . 5891 1 857 . 1 1 70 70 ILE HB H 1 1.796 0.02 . 1 . . . . . . . . 5891 1 858 . 1 1 70 70 ILE CG2 C 13 17.641 0.05 . 2 . . . . . . . . 5891 1 859 . 1 1 70 70 ILE HG21 H 1 0.807 0.02 . 1 . . . . . . . . 5891 1 860 . 1 1 70 70 ILE HG22 H 1 0.807 0.02 . 1 . . . . . . . . 5891 1 861 . 1 1 70 70 ILE HG23 H 1 0.807 0.02 . 1 . . . . . . . . 5891 1 862 . 1 1 70 70 ILE CG1 C 13 29.686 0.05 . 2 . . . . . . . . 5891 1 863 . 1 1 70 70 ILE HG12 H 1 0.753 0.02 . 2 . . . . . . . . 5891 1 864 . 1 1 70 70 ILE CD1 C 13 13.837 0.05 . 1 . . . . . . . . 5891 1 865 . 1 1 70 70 ILE HD11 H 1 0.655 0.02 . 1 . . . . . . . . 5891 1 866 . 1 1 70 70 ILE HD12 H 1 0.655 0.02 . 1 . . . . . . . . 5891 1 867 . 1 1 70 70 ILE HD13 H 1 0.655 0.02 . 1 . . . . . . . . 5891 1 868 . 1 1 71 71 ARG H H 1 8.624 0.02 . 1 . . . . . . . . 5891 1 869 . 1 1 71 71 ARG N N 15 120.148 0.05 . 1 . . . . . . . . 5891 1 870 . 1 1 71 71 ARG CA C 13 60.117 0.05 . 1 . . . . . . . . 5891 1 871 . 1 1 71 71 ARG HA H 1 3.941 0.02 . 1 . . . . . . . . 5891 1 872 . 1 1 71 71 ARG C C 13 180.053 0.05 . 1 . . . . . . . . 5891 1 873 . 1 1 71 71 ARG CB C 13 30.320 0.05 . 1 . . . . . . . . 5891 1 874 . 1 1 71 71 ARG HB2 H 1 1.886 0.02 . 2 . . . . . . . . 5891 1 875 . 1 1 71 71 ARG HB3 H 1 1.792 0.02 . 2 . . . . . . . . 5891 1 876 . 1 1 71 71 ARG CG C 13 27.784 0.05 . 1 . . . . . . . . 5891 1 877 . 1 1 71 71 ARG HG2 H 1 1.509 0.02 . 2 . . . . . . . . 5891 1 878 . 1 1 71 71 ARG HG3 H 1 1.514 0.02 . 2 . . . . . . . . 5891 1 879 . 1 1 71 71 ARG CD C 13 43.634 0.05 . 1 . . . . . . . . 5891 1 880 . 1 1 71 71 ARG HD2 H 1 3.097 0.02 . 2 . . . . . . . . 5891 1 881 . 1 1 71 71 ARG HD3 H 1 3.039 0.02 . 2 . . . . . . . . 5891 1 882 . 1 1 72 72 LYS H H 1 8.340 0.02 . 1 . . . . . . . . 5891 1 883 . 1 1 72 72 LYS N N 15 120.448 0.05 . 1 . . . . . . . . 5891 1 884 . 1 1 72 72 LYS CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 885 . 1 1 72 72 LYS HA H 1 3.987 0.02 . 1 . . . . . . . . 5891 1 886 . 1 1 72 72 LYS C C 13 178.712 0.05 . 1 . . . . . . . . 5891 1 887 . 1 1 72 72 LYS CB C 13 32.222 0.05 . 1 . . . . . . . . 5891 1 888 . 1 1 72 72 LYS HB2 H 1 2.035 0.02 . 2 . . . . . . . . 5891 1 889 . 1 1 72 72 LYS HB3 H 1 1.883 0.02 . 2 . . . . . . . . 5891 1 890 . 1 1 72 72 LYS CG C 13 25.249 0.05 . 1 . . . . . . . . 5891 1 891 . 1 1 72 72 LYS HG2 H 1 1.408 0.02 . 2 . . . . . . . . 5891 1 892 . 1 1 72 72 LYS CD C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 893 . 1 1 72 72 LYS HD2 H 1 1.658 0.02 . 2 . . . . . . . . 5891 1 894 . 1 1 72 72 LYS CE C 13 41.642 0.05 . 1 . . . . . . . . 5891 1 895 . 1 1 72 72 LYS HE2 H 1 2.923 0.02 . 2 . . . . . . . . 5891 1 896 . 1 1 72 72 LYS HE3 H 1 2.920 0.02 . 2 . . . . . . . . 5891 1 897 . 1 1 73 73 PHE H H 1 8.805 0.02 . 1 . . . . . . . . 5891 1 898 . 1 1 73 73 PHE N N 15 122.944 0.05 . 1 . . . . . . . . 5891 1 899 . 1 1 73 73 PHE CA C 13 62.019 0.05 . 1 . . . . . . . . 5891 1 900 . 1 1 73 73 PHE HA H 1 3.949 0.02 . 1 . . . . . . . . 5891 1 901 . 1 1 73 73 PHE C C 13 176.558 0.05 . 1 . . . . . . . . 5891 1 902 . 1 1 73 73 PHE CB C 13 39.196 0.05 . 1 . . . . . . . . 5891 1 903 . 1 1 73 73 PHE HB2 H 1 3.291 0.02 . 2 . . . . . . . . 5891 1 904 . 1 1 73 73 PHE HB3 H 1 3.013 0.02 . 2 . . . . . . . . 5891 1 905 . 1 1 73 73 PHE CD1 C 13 132.778 0.05 . 1 . . . . . . . . 5891 1 906 . 1 1 73 73 PHE HD1 H 1 6.798 0.02 . 1 . . . . . . . . 5891 1 907 . 1 1 73 73 PHE CD2 C 13 132.778 0.05 . 1 . . . . . . . . 5891 1 908 . 1 1 73 73 PHE HD2 H 1 6.798 0.02 . 1 . . . . . . . . 5891 1 909 . 1 1 73 73 PHE CE1 C 13 131.145 0.05 . 1 . . . . . . . . 5891 1 910 . 1 1 73 73 PHE HE1 H 1 7.307 0.02 . 1 . . . . . . . . 5891 1 911 . 1 1 73 73 PHE CE2 C 13 131.145 0.05 . 1 . . . . . . . . 5891 1 912 . 1 1 73 73 PHE HE2 H 1 7.307 0.02 . 1 . . . . . . . . 5891 1 913 . 1 1 73 73 PHE CZ C 13 132.647 0.05 . 1 . . . . . . . . 5891 1 914 . 1 1 73 73 PHE HZ H 1 7.127 0.02 . 1 . . . . . . . . 5891 1 915 . 1 1 74 74 ASN H H 1 8.709 0.02 . 1 . . . . . . . . 5891 1 916 . 1 1 74 74 ASN N N 15 117.815 0.05 . 1 . . . . . . . . 5891 1 917 . 1 1 74 74 ASN CA C 13 55.680 0.05 . 1 . . . . . . . . 5891 1 918 . 1 1 74 74 ASN HA H 1 4.250 0.02 . 1 . . . . . . . . 5891 1 919 . 1 1 74 74 ASN C C 13 178.644 0.05 . 1 . . . . . . . . 5891 1 920 . 1 1 74 74 ASN CB C 13 37.294 0.05 . 1 . . . . . . . . 5891 1 921 . 1 1 74 74 ASN HB2 H 1 2.923 0.02 . 2 . . . . . . . . 5891 1 922 . 1 1 74 74 ASN HB3 H 1 2.735 0.02 . 2 . . . . . . . . 5891 1 923 . 1 1 75 75 GLU H H 1 8.039 0.02 . 1 . . . . . . . . 5891 1 924 . 1 1 75 75 GLU N N 15 122.134 0.05 . 1 . . . . . . . . 5891 1 925 . 1 1 75 75 GLU CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 926 . 1 1 75 75 GLU HA H 1 4.001 0.02 . 1 . . . . . . . . 5891 1 927 . 1 1 75 75 GLU C C 13 178.409 0.05 . 1 . . . . . . . . 5891 1 928 . 1 1 75 75 GLU CB C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 929 . 1 1 75 75 GLU HB2 H 1 2.066 0.02 . 2 . . . . . . . . 5891 1 930 . 1 1 75 75 GLU CG C 13 36.026 0.05 . 1 . . . . . . . . 5891 1 931 . 1 1 75 75 GLU HG2 H 1 2.246 0.02 . 2 . . . . . . . . 5891 1 932 . 1 1 75 75 GLU CD C 13 182.683 0.05 . 1 . . . . . . . . 5891 1 933 . 1 1 76 76 MET H H 1 8.408 0.02 . 1 . . . . . . . . 5891 1 934 . 1 1 76 76 MET N N 15 120.005 0.05 . 1 . . . . . . . . 5891 1 935 . 1 1 76 76 MET CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 936 . 1 1 76 76 MET HA H 1 4.027 0.02 . 1 . . . . . . . . 5891 1 937 . 1 1 76 76 MET C C 13 178.026 0.05 . 1 . . . . . . . . 5891 1 938 . 1 1 76 76 MET CB C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 939 . 1 1 76 76 MET HB2 H 1 2.146 0.02 . 2 . . . . . . . . 5891 1 940 . 1 1 76 76 MET HB3 H 1 1.863 0.02 . 2 . . . . . . . . 5891 1 941 . 1 1 76 76 MET CG C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 942 . 1 1 76 76 MET HG2 H 1 2.687 0.02 . 2 . . . . . . . . 5891 1 943 . 1 1 76 76 MET HG3 H 1 2.429 0.02 . 2 . . . . . . . . 5891 1 944 . 1 1 77 77 ARG H H 1 8.219 0.02 . 1 . . . . . . . . 5891 1 945 . 1 1 77 77 ARG N N 15 119.432 0.05 . 1 . . . . . . . . 5891 1 946 . 1 1 77 77 ARG CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 947 . 1 1 77 77 ARG HA H 1 3.650 0.02 . 1 . . . . . . . . 5891 1 948 . 1 1 77 77 ARG C C 13 178.020 0.05 . 1 . . . . . . . . 5891 1 949 . 1 1 77 77 ARG CB C 13 29.686 0.05 . 1 . . . . . . . . 5891 1 950 . 1 1 77 77 ARG HB2 H 1 1.741 0.02 . 2 . . . . . . . . 5891 1 951 . 1 1 77 77 ARG HB3 H 1 1.441 0.02 . 2 . . . . . . . . 5891 1 952 . 1 1 77 77 ARG CG C 13 26.517 0.05 . 1 . . . . . . . . 5891 1 953 . 1 1 77 77 ARG HG2 H 1 1.410 0.02 . 2 . . . . . . . . 5891 1 954 . 1 1 77 77 ARG CD C 13 43.634 0.05 . 1 . . . . . . . . 5891 1 955 . 1 1 77 77 ARG HD2 H 1 2.894 0.02 . 2 . . . . . . . . 5891 1 956 . 1 1 77 77 ARG HD3 H 1 3.006 0.02 . 2 . . . . . . . . 5891 1 957 . 1 1 78 78 LYS H H 1 7.351 0.02 . 1 . . . . . . . . 5891 1 958 . 1 1 78 78 LYS N N 15 118.758 0.05 . 1 . . . . . . . . 5891 1 959 . 1 1 78 78 LYS CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 960 . 1 1 78 78 LYS HA H 1 4.037 0.02 . 1 . . . . . . . . 5891 1 961 . 1 1 78 78 LYS C C 13 179.385 0.05 . 1 . . . . . . . . 5891 1 962 . 1 1 78 78 LYS CB C 13 31.588 0.05 . 1 . . . . . . . . 5891 1 963 . 1 1 78 78 LYS HB2 H 1 1.852 0.02 . 1 . . . . . . . . 5891 1 964 . 1 1 78 78 LYS HB3 H 1 1.852 0.02 . 1 . . . . . . . . 5891 1 965 . 1 1 78 78 LYS CG C 13 24.615 0.05 . 1 . . . . . . . . 5891 1 966 . 1 1 78 78 LYS HG2 H 1 1.325 0.02 . 1 . . . . . . . . 5891 1 967 . 1 1 78 78 LYS HG3 H 1 1.325 0.02 . 1 . . . . . . . . 5891 1 968 . 1 1 78 78 LYS CD C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 969 . 1 1 78 78 LYS HD2 H 1 1.626 0.02 . 2 . . . . . . . . 5891 1 970 . 1 1 78 78 LYS HD3 H 1 1.511 0.02 . 2 . . . . . . . . 5891 1 971 . 1 1 78 78 LYS CE C 13 41.732 0.05 . 1 . . . . . . . . 5891 1 972 . 1 1 78 78 LYS HE2 H 1 2.872 0.02 . 1 . . . . . . . . 5891 1 973 . 1 1 78 78 LYS HE3 H 1 2.872 0.02 . 1 . . . . . . . . 5891 1 974 . 1 1 79 79 ASN H H 1 8.096 0.02 . 1 . . . . . . . . 5891 1 975 . 1 1 79 79 ASN N N 15 118.756 0.05 . 1 . . . . . . . . 5891 1 976 . 1 1 79 79 ASN CA C 13 47.000 0.05 . 1 . . . . . . . . 5891 1 977 . 1 1 79 79 ASN HA H 1 4.4370 0.02 . 1 . . . . . . . . 5891 1 978 . 1 1 79 79 ASN C C 13 178.352 0.05 . 1 . . . . . . . . 5891 1 979 . 1 1 79 79 ASN CB C 13 37.928 0.05 . 1 . . . . . . . . 5891 1 980 . 1 1 79 79 ASN HB2 H 1 2.862 0.02 . 2 . . . . . . . . 5891 1 981 . 1 1 79 79 ASN HB3 H 1 2.671 0.02 . 2 . . . . . . . . 5891 1 982 . 1 1 80 80 MET H H 1 9.109 0.02 . 1 . . . . . . . . 5891 1 983 . 1 1 80 80 MET N N 15 123.055 0.05 . 1 . . . . . . . . 5891 1 984 . 1 1 80 80 MET CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 985 . 1 1 80 80 MET HA H 1 4.077 0.02 . 1 . . . . . . . . 5891 1 986 . 1 1 80 80 MET C C 13 177.763 0.05 . 1 . . . . . . . . 5891 1 987 . 1 1 80 80 MET CB C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 988 . 1 1 80 80 MET HB2 H 1 2.220 0.02 . 2 . . . . . . . . 5891 1 989 . 1 1 80 80 MET HB3 H 1 2.084 0.02 . 2 . . . . . . . . 5891 1 990 . 1 1 80 80 MET CG C 13 32.856 0.05 . 1 . . . . . . . . 5891 1 991 . 1 1 80 80 MET HG2 H 1 2.477 0.02 . 2 . . . . . . . . 5891 1 992 . 1 1 80 80 MET HG3 H 1 2.347 0.02 . 2 . . . . . . . . 5891 1 993 . 1 1 81 81 ASP H H 1 8.287 0.02 . 1 . . . . . . . . 5891 1 994 . 1 1 81 81 ASP N N 15 120.777 0.05 . 1 . . . . . . . . 5891 1 995 . 1 1 81 81 ASP CA C 13 57.625 0.05 . 1 . . . . . . . . 5891 1 996 . 1 1 81 81 ASP HA H 1 4.447 0.02 . 1 . . . . . . . . 5891 1 997 . 1 1 81 81 ASP C C 13 179.186 0.05 . 1 . . . . . . . . 5891 1 998 . 1 1 81 81 ASP CB C 13 40.125 0.05 . 1 . . . . . . . . 5891 1 999 . 1 1 81 81 ASP HB2 H 1 2.782 0.02 . 2 . . . . . . . . 5891 1 1000 . 1 1 81 81 ASP HB3 H 1 2.630 0.02 . 2 . . . . . . . . 5891 1 1001 . 1 1 81 81 ASP CG C 13 178.159 0.05 . 1 . . . . . . . . 5891 1 1002 . 1 1 82 82 GLN H H 1 7.734 0.02 . 1 . . . . . . . . 5891 1 1003 . 1 1 82 82 GLN N N 15 119.049 0.05 . 1 . . . . . . . . 5891 1 1004 . 1 1 82 82 GLN CA C 13 58.849 0.05 . 1 . . . . . . . . 5891 1 1005 . 1 1 82 82 GLN HA H 1 4.066 0.02 . 1 . . . . . . . . 5891 1 1006 . 1 1 82 82 GLN C C 13 178.848 0.05 . 1 . . . . . . . . 5891 1 1007 . 1 1 82 82 GLN CB C 13 28.418 0.05 . 1 . . . . . . . . 5891 1 1008 . 1 1 82 82 GLN HB2 H 1 2.126 0.02 . 2 . . . . . . . . 5891 1 1009 . 1 1 82 82 GLN CG C 13 34.124 0.05 . 1 . . . . . . . . 5891 1 1010 . 1 1 82 82 GLN HG2 H 1 2.534 0.02 . 2 . . . . . . . . 5891 1 1011 . 1 1 82 82 GLN HG3 H 1 2.329 0.02 . 2 . . . . . . . . 5891 1 1012 . 1 1 83 83 LEU H H 1 8.026 0.02 . 1 . . . . . . . . 5891 1 1013 . 1 1 83 83 LEU N N 15 122.835 0.05 . 1 . . . . . . . . 5891 1 1014 . 1 1 83 83 LEU CA C 13 57.582 0.05 . 1 . . . . . . . . 5891 1 1015 . 1 1 83 83 LEU HA H 1 4.136 0.02 . 1 . . . . . . . . 5891 1 1016 . 1 1 83 83 LEU C C 13 178.098 0.05 . 1 . . . . . . . . 5891 1 1017 . 1 1 83 83 LEU CB C 13 42.366 0.05 . 1 . . . . . . . . 5891 1 1018 . 1 1 83 83 LEU HB2 H 1 1.837 0.02 . 2 . . . . . . . . 5891 1 1019 . 1 1 83 83 LEU HB3 H 1 1.810 0.02 . 2 . . . . . . . . 5891 1 1020 . 1 1 83 83 LEU CG C 13 27.784 0.05 . 1 . . . . . . . . 5891 1 1021 . 1 1 83 83 LEU CD1 C 13 25.249 0.05 . 2 . . . . . . . . 5891 1 1022 . 1 1 83 83 LEU HD11 H 1 1.021 0.02 . 2 . . . . . . . . 5891 1 1023 . 1 1 83 83 LEU HD12 H 1 1.021 0.02 . 2 . . . . . . . . 5891 1 1024 . 1 1 83 83 LEU HD13 H 1 1.021 0.02 . 2 . . . . . . . . 5891 1 1025 . 1 1 83 83 LEU CD2 C 13 23.920 0.05 . 2 . . . . . . . . 5891 1 1026 . 1 1 83 83 LEU HD21 H 1 0.959 0.02 . 2 . . . . . . . . 5891 1 1027 . 1 1 83 83 LEU HD22 H 1 0.959 0.02 . 2 . . . . . . . . 5891 1 1028 . 1 1 83 83 LEU HD23 H 1 0.959 0.02 . 2 . . . . . . . . 5891 1 1029 . 1 1 83 83 LEU HG H 1 1.661 0.02 . 1 . . . . . . . . 5891 1 1030 . 1 1 84 84 LYS H H 1 8.816 0.02 . 1 . . . . . . . . 5891 1 1031 . 1 1 84 84 LYS N N 15 120.021 0.05 . 1 . . . . . . . . 5891 1 1032 . 1 1 84 84 LYS CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 1033 . 1 1 84 84 LYS HA H 1 3.366 0.02 . 1 . . . . . . . . 5891 1 1034 . 1 1 84 84 LYS CB C 13 32.027 0.05 . 1 . . . . . . . . 5891 1 1035 . 1 1 84 84 LYS HB2 H 1 1.985 0.02 . 2 . . . . . . . . 5891 1 1036 . 1 1 84 84 LYS HB3 H 1 1.936 0.02 . 2 . . . . . . . . 5891 1 1037 . 1 1 84 84 LYS CG C 13 24.615 0.05 . 1 . . . . . . . . 5891 1 1038 . 1 1 84 84 LYS HG2 H 1 1.238 0.02 . 2 . . . . . . . . 5891 1 1039 . 1 1 84 84 LYS HG3 H 1 1.202 0.02 . 2 . . . . . . . . 5891 1 1040 . 1 1 84 84 LYS CD C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 1041 . 1 1 84 84 LYS HD2 H 1 1.666 0.02 . 2 . . . . . . . . 5891 1 1042 . 1 1 84 84 LYS HD3 H 1 1.553 0.02 . 2 . . . . . . . . 5891 1 1043 . 1 1 84 84 LYS CE C 13 41.732 0.05 . 1 . . . . . . . . 5891 1 1044 . 1 1 84 84 LYS HE2 H 1 2.913 0.02 . 2 . . . . . . . . 5891 1 1045 . 1 1 84 84 LYS HE3 H 1 2.895 0.02 . 2 . . . . . . . . 5891 1 1046 . 1 1 85 85 GLU H H 1 7.636 0.02 . 1 . . . . . . . . 5891 1 1047 . 1 1 85 85 GLU N N 15 117.276 0.05 . 1 . . . . . . . . 5891 1 1048 . 1 1 85 85 GLU CA C 13 58.849 0.05 . 1 . . . . . . . . 5891 1 1049 . 1 1 85 85 GLU HA H 1 3.996 0.02 . 1 . . . . . . . . 5891 1 1050 . 1 1 85 85 GLU C C 13 178.928 0.05 . 1 . . . . . . . . 5891 1 1051 . 1 1 85 85 GLU CB C 13 29.052 0.05 . 1 . . . . . . . . 5891 1 1052 . 1 1 85 85 GLU HB2 H 1 2.042 0.02 . 2 . . . . . . . . 5891 1 1053 . 1 1 85 85 GLU CG C 13 36.026 0.05 . 1 . . . . . . . . 5891 1 1054 . 1 1 85 85 GLU HG2 H 1 2.300 0.02 . 2 . . . . . . . . 5891 1 1055 . 1 1 85 85 GLU HG3 H 1 2.333 0.02 . 2 . . . . . . . . 5891 1 1056 . 1 1 85 85 GLU CD C 13 182.626 0.05 . 1 . . . . . . . . 5891 1 1057 . 1 1 86 86 LYS H H 1 7.727 0.02 . 1 . . . . . . . . 5891 1 1058 . 1 1 86 86 LYS N N 15 122.431 0.05 . 1 . . . . . . . . 5891 1 1059 . 1 1 86 86 LYS CA C 13 59.483 0.05 . 1 . . . . . . . . 5891 1 1060 . 1 1 86 86 LYS HA H 1 3.946 0.02 . 1 . . . . . . . . 5891 1 1061 . 1 1 86 86 LYS C C 13 179.382 0.05 . 1 . . . . . . . . 5891 1 1062 . 1 1 86 86 LYS CB C 13 32.826 0.05 . 1 . . . . . . . . 5891 1 1063 . 1 1 86 86 LYS HB2 H 1 1.998 0.02 . 2 . . . . . . . . 5891 1 1064 . 1 1 86 86 LYS HB3 H 1 1.926 0.02 . 2 . . . . . . . . 5891 1 1065 . 1 1 86 86 LYS CG C 13 24.615 0.05 . 1 . . . . . . . . 5891 1 1066 . 1 1 86 86 LYS HG2 H 1 1.406 0.02 . 2 . . . . . . . . 5891 1 1067 . 1 1 86 86 LYS HG3 H 1 1.218 0.02 . 2 . . . . . . . . 5891 1 1068 . 1 1 86 86 LYS CD C 13 29.686 0.05 . 1 . . . . . . . . 5891 1 1069 . 1 1 86 86 LYS CE C 13 41.732 0.05 . 1 . . . . . . . . 5891 1 1070 . 1 1 86 86 LYS HE2 H 1 2.908 0.02 . 2 . . . . . . . . 5891 1 1071 . 1 1 86 86 LYS HE3 H 1 2.807 0.02 . 2 . . . . . . . . 5891 1 1072 . 1 1 87 87 ILE H H 1 8.354 0.02 . 1 . . . . . . . . 5891 1 1073 . 1 1 87 87 ILE N N 15 120.540 0.05 . 1 . . . . . . . . 5891 1 1074 . 1 1 87 87 ILE CA C 13 65.823 0.05 . 1 . . . . . . . . 5891 1 1075 . 1 1 87 87 ILE HA H 1 3.307 0.02 . 1 . . . . . . . . 5891 1 1076 . 1 1 87 87 ILE C C 13 177.398 0.05 . 1 . . . . . . . . 5891 1 1077 . 1 1 87 87 ILE CB C 13 38.562 0.05 . 1 . . . . . . . . 5891 1 1078 . 1 1 87 87 ILE HB H 1 1.647 0.02 . 1 . . . . . . . . 5891 1 1079 . 1 1 87 87 ILE CG2 C 13 17.007 0.05 . 2 . . . . . . . . 5891 1 1080 . 1 1 87 87 ILE HG21 H 1 0.627 0.02 . 1 . . . . . . . . 5891 1 1081 . 1 1 87 87 ILE HG22 H 1 0.627 0.02 . 1 . . . . . . . . 5891 1 1082 . 1 1 87 87 ILE HG23 H 1 0.627 0.02 . 1 . . . . . . . . 5891 1 1083 . 1 1 87 87 ILE HG12 H 1 0.625 0.02 . 2 . . . . . . . . 5891 1 1084 . 1 1 87 87 ILE CD1 C 13 13.837 0.05 . 1 . . . . . . . . 5891 1 1085 . 1 1 87 87 ILE HD11 H 1 0.365 0.02 . 1 . . . . . . . . 5891 1 1086 . 1 1 87 87 ILE HD12 H 1 0.365 0.02 . 1 . . . . . . . . 5891 1 1087 . 1 1 87 87 ILE HD13 H 1 0.365 0.02 . 1 . . . . . . . . 5891 1 1088 . 1 1 88 88 ASN H H 1 8.409 0.02 . 1 . . . . . . . . 5891 1 1089 . 1 1 88 88 ASN N N 15 116.814 0.05 . 1 . . . . . . . . 5891 1 1090 . 1 1 88 88 ASN CA C 13 55.680 0.05 . 1 . . . . . . . . 5891 1 1091 . 1 1 88 88 ASN HA H 1 4.253 0.02 . 1 . . . . . . . . 5891 1 1092 . 1 1 88 88 ASN C C 13 178.138 0.05 . 1 . . . . . . . . 5891 1 1093 . 1 1 88 88 ASN CB C 13 37.294 0.05 . 1 . . . . . . . . 5891 1 1094 . 1 1 88 88 ASN HB2 H 1 2.771 0.02 . 2 . . . . . . . . 5891 1 1095 . 1 1 88 88 ASN HB3 H 1 3.520 0.02 . 2 . . . . . . . . 5891 1 1096 . 1 1 89 89 SER H H 1 8.073 0.02 . 1 . . . . . . . . 5891 1 1097 . 1 1 89 89 SER N N 15 115.425 0.05 . 1 . . . . . . . . 5891 1 1098 . 1 1 89 89 SER CA C 13 61.375 0.05 . 1 . . . . . . . . 5891 1 1099 . 1 1 89 89 SER HA H 1 4.175 0.02 . 1 . . . . . . . . 5891 1 1100 . 1 1 89 89 SER C C 13 176.561 0.05 . 1 . . . . . . . . 5891 1 1101 . 1 1 89 89 SER CB C 13 62.625 0.05 . 1 . . . . . . . . 5891 1 1102 . 1 1 89 89 SER HB2 H 1 4.003 0.02 . 2 . . . . . . . . 5891 1 1103 . 1 1 89 89 SER HB3 H 1 3.980 0.02 . 2 . . . . . . . . 5891 1 1104 . 1 1 90 90 VAL H H 1 7.654 0.02 . 1 . . . . . . . . 5891 1 1105 . 1 1 90 90 VAL N N 15 122.049 0.05 . 1 . . . . . . . . 5891 1 1106 . 1 1 90 90 VAL CA C 13 65.189 0.05 . 1 . . . . . . . . 5891 1 1107 . 1 1 90 90 VAL HA H 1 3.837 0.02 . 1 . . . . . . . . 5891 1 1108 . 1 1 90 90 VAL C C 13 177.051 0.05 . 1 . . . . . . . . 5891 1 1109 . 1 1 90 90 VAL CB C 13 31.588 0.05 . 1 . . . . . . . . 5891 1 1110 . 1 1 90 90 VAL HB H 1 2.104 0.02 . 1 . . . . . . . . 5891 1 1111 . 1 1 90 90 VAL CG1 C 13 22.079 0.05 . 1 . . . . . . . . 5891 1 1112 . 1 1 90 90 VAL HG11 H 1 1.043 0.02 . 2 . . . . . . . . 5891 1 1113 . 1 1 90 90 VAL HG12 H 1 1.043 0.02 . 2 . . . . . . . . 5891 1 1114 . 1 1 90 90 VAL HG13 H 1 1.043 0.02 . 2 . . . . . . . . 5891 1 1115 . 1 1 90 90 VAL CG2 C 13 22.079 0.05 . 1 . . . . . . . . 5891 1 1116 . 1 1 90 90 VAL HG21 H 1 0.935 0.02 . 2 . . . . . . . . 5891 1 1117 . 1 1 90 90 VAL HG22 H 1 0.935 0.02 . 2 . . . . . . . . 5891 1 1118 . 1 1 90 90 VAL HG23 H 1 0.935 0.02 . 2 . . . . . . . . 5891 1 1119 . 1 1 91 91 LEU H H 1 7.468 0.02 . 1 . . . . . . . . 5891 1 1120 . 1 1 91 91 LEU N N 15 116.539 0.05 . 1 . . . . . . . . 5891 1 1121 . 1 1 91 91 LEU CA C 13 54.412 0.05 . 1 . . . . . . . . 5891 1 1122 . 1 1 91 91 LEU HA H 1 4.204 0.02 . 1 . . . . . . . . 5891 1 1123 . 1 1 91 91 LEU C C 13 175.454 0.05 . 1 . . . . . . . . 5891 1 1124 . 1 1 91 91 LEU CB C 13 42.366 0.05 . 1 . . . . . . . . 5891 1 1125 . 1 1 91 91 LEU HB2 H 1 1.604 0.02 . 2 . . . . . . . . 5891 1 1126 . 1 1 91 91 LEU HB3 H 1 1.479 0.02 . 2 . . . . . . . . 5891 1 1127 . 1 1 91 91 LEU CG C 13 26.517 0.05 . 1 . . . . . . . . 5891 1 1128 . 1 1 91 91 LEU CD1 C 13 26.517 0.05 . 2 . . . . . . . . 5891 1 1129 . 1 1 91 91 LEU HD11 H 1 0.740 0.02 . 2 . . . . . . . . 5891 1 1130 . 1 1 91 91 LEU HD12 H 1 0.740 0.02 . 2 . . . . . . . . 5891 1 1131 . 1 1 91 91 LEU HD13 H 1 0.740 0.02 . 2 . . . . . . . . 5891 1 1132 . 1 1 91 91 LEU CD2 C 13 23.347 0.05 . 2 . . . . . . . . 5891 1 1133 . 1 1 91 91 LEU HD21 H 1 0.527 0.02 . 2 . . . . . . . . 5891 1 1134 . 1 1 91 91 LEU HD22 H 1 0.527 0.02 . 2 . . . . . . . . 5891 1 1135 . 1 1 91 91 LEU HD23 H 1 0.527 0.02 . 2 . . . . . . . . 5891 1 1136 . 1 1 91 91 LEU HG H 1 1.682 0.02 . 1 . . . . . . . . 5891 1 1137 . 1 1 92 92 SER H H 1 7.572 0.02 . 1 . . . . . . . . 5891 1 1138 . 1 1 92 92 SER N N 15 114.498 0.05 . 1 . . . . . . . . 5891 1 1139 . 1 1 92 92 SER CA C 13 58.875 0.05 . 1 . . . . . . . . 5891 1 1140 . 1 1 92 92 SER HA H 1 4.172 0.02 . 1 . . . . . . . . 5891 1 1141 . 1 1 92 92 SER C C 13 174.003 0.05 . 1 . . . . . . . . 5891 1 1142 . 1 1 92 92 SER CB C 13 63.250 0.05 . 1 . . . . . . . . 5891 1 1143 . 1 1 92 92 SER HB2 H 1 3.905 0.02 . 2 . . . . . . . . 5891 1 1144 . 1 1 92 92 SER HB3 H 1 3.773 0.02 . 2 . . . . . . . . 5891 1 1145 . 1 1 93 93 ILE H H 1 7.978 0.02 . 1 . . . . . . . . 5891 1 1146 . 1 1 93 93 ILE N N 15 120.785 0.05 . 1 . . . . . . . . 5891 1 1147 . 1 1 93 93 ILE CA C 13 60.751 0.05 . 1 . . . . . . . . 5891 1 1148 . 1 1 93 93 ILE HA H 1 4.094 0.02 . 1 . . . . . . . . 5891 1 1149 . 1 1 93 93 ILE C C 13 175.661 0.05 . 1 . . . . . . . . 5891 1 1150 . 1 1 93 93 ILE CB C 13 39.196 0.05 . 1 . . . . . . . . 5891 1 1151 . 1 1 93 93 ILE HB H 1 1.681 0.02 . 1 . . . . . . . . 5891 1 1152 . 1 1 93 93 ILE CG2 C 13 17.007 0.05 . 2 . . . . . . . . 5891 1 1153 . 1 1 93 93 ILE HG21 H 1 0.764 0.02 . 1 . . . . . . . . 5891 1 1154 . 1 1 93 93 ILE HG22 H 1 0.764 0.02 . 1 . . . . . . . . 5891 1 1155 . 1 1 93 93 ILE HG23 H 1 0.764 0.02 . 1 . . . . . . . . 5891 1 1156 . 1 1 93 93 ILE CG1 C 13 27.151 0.05 . 2 . . . . . . . . 5891 1 1157 . 1 1 93 93 ILE HG12 H 1 0.993 0.02 . 2 . . . . . . . . 5891 1 1158 . 1 1 93 93 ILE HG13 H 1 1.405 0.02 . 2 . . . . . . . . 5891 1 1159 . 1 1 93 93 ILE CD1 C 13 13.203 0.05 . 1 . . . . . . . . 5891 1 1160 . 1 1 93 93 ILE HD11 H 1 0.758 0.02 . 1 . . . . . . . . 5891 1 1161 . 1 1 93 93 ILE HD12 H 1 0.758 0.02 . 1 . . . . . . . . 5891 1 1162 . 1 1 93 93 ILE HD13 H 1 0.758 0.02 . 1 . . . . . . . . 5891 1 1163 . 1 1 94 94 ARG H H 1 8.338 0.02 . 1 . . . . . . . . 5891 1 1164 . 1 1 94 94 ARG N N 15 125.885 0.05 . 1 . . . . . . . . 5891 1 1165 . 1 1 94 94 ARG CA C 13 55.680 0.05 . 1 . . . . . . . . 5891 1 1166 . 1 1 94 94 ARG HA H 1 4.281 0.02 . 1 . . . . . . . . 5891 1 1167 . 1 1 94 94 ARG C C 13 175.156 0.05 . 1 . . . . . . . . 5891 1 1168 . 1 1 94 94 ARG CB C 13 30.954 0.05 . 1 . . . . . . . . 5891 1 1169 . 1 1 94 94 ARG HB2 H 1 1.788 0.02 . 2 . . . . . . . . 5891 1 1170 . 1 1 94 94 ARG HB3 H 1 1.640 0.02 . 2 . . . . . . . . 5891 1 1171 . 1 1 94 94 ARG CG C 13 27.151 0.05 . 1 . . . . . . . . 5891 1 1172 . 1 1 94 94 ARG HG2 H 1 1.539 0.02 . 1 . . . . . . . . 5891 1 1173 . 1 1 94 94 ARG HG3 H 1 1.539 0.02 . 1 . . . . . . . . 5891 1 1174 . 1 1 94 94 ARG CD C 13 43.000 0.05 . 1 . . . . . . . . 5891 1 1175 . 1 1 94 94 ARG HD3 H 1 3.108 0.02 . 2 . . . . . . . . 5891 1 1176 . 1 1 95 95 GLN H H 1 7.914 0.02 . 1 . . . . . . . . 5891 1 1177 . 1 1 95 95 GLN N N 15 126.566 0.05 . 1 . . . . . . . . 5891 1 1178 . 1 1 95 95 GLN CA C 13 57.436 0.05 . 1 . . . . . . . . 5891 1 1179 . 1 1 95 95 GLN HA H 1 4.069 0.02 . 1 . . . . . . . . 5891 1 1180 . 1 1 95 95 GLN CB C 13 31.191 0.05 . 1 . . . . . . . . 5891 1 stop_ save_