data_27098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27098 _Entry.Title ; 1H, 15N and 13C resonance assignments of Mth10bTQQA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-06 _Entry.Accession_date 2017-05-06 _Entry.Last_release_date 2017-05-08 _Entry.Original_release_date 2017-05-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 Jinsong Xuan . . . . 27098 2 Hongwei Yao . . . . 27098 3 Yingang Feng . . . . 27098 4 Jinfeng Wang . . . . 27098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 407 27098 '15N chemical shifts' 106 27098 '1H chemical shifts' 673 27098 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-02-01 2017-05-06 update BMRB 'update entry citation' 27098 1 . . 2017-09-15 2017-05-06 original author 'original release' 27098 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27097 'assignments of Mvo10b' 27098 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27098 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28812261 _Citation.Full_citation . _Citation.Title ; Backbone and side-chain (1)H, (15)N and (13)C resonance assignments of two Sac10b family members Mvo10b and Mth10bTQQA from archaea ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 269 _Citation.Page_last 273 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jinsong Xuan . . . . 27098 1 2 Hongwei Yao . . . . 27098 1 3 Yingang Feng . . . . 27098 1 4 Jinfeng Wang . . . . 27098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27098 _Assembly.ID 1 _Assembly.Name 'mth10btqqa homodimer' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'mth10btqqa, chain 1' 1 $mth10btqqa A . yes native no no . . . 27098 1 2 'mth10btqqa, chain 2' 1 $mth10btqqa B . yes native no no . . . 27098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mth10btqqa _Entity.Sf_category entity _Entity.Sf_framecode mth10btqqa _Entity.Entry_ID 27098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mth10btqqa _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 ; MDSTVYVGNKGVTNYVQAVQ TQFNTENAKEVRIKARGKAI SRAVDVEEMVRNRFLAEVKV KEINLGTDKVQNDDGKSVNI STIEIVLEKLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP A5JSW7 . 'DNA/RNA-binding protein Alba' . . . . . . . . . . . . . . 27098 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27098 1 2 . ASP . 27098 1 3 . SER . 27098 1 4 . THR . 27098 1 5 . VAL . 27098 1 6 . TYR . 27098 1 7 . VAL . 27098 1 8 . GLY . 27098 1 9 . ASN . 27098 1 10 . LYS . 27098 1 11 . GLY . 27098 1 12 . VAL . 27098 1 13 . THR . 27098 1 14 . ASN . 27098 1 15 . TYR . 27098 1 16 . VAL . 27098 1 17 . GLN . 27098 1 18 . ALA . 27098 1 19 . VAL . 27098 1 20 . GLN . 27098 1 21 . THR . 27098 1 22 . GLN . 27098 1 23 . PHE . 27098 1 24 . ASN . 27098 1 25 . THR . 27098 1 26 . GLU . 27098 1 27 . ASN . 27098 1 28 . ALA . 27098 1 29 . LYS . 27098 1 30 . GLU . 27098 1 31 . VAL . 27098 1 32 . ARG . 27098 1 33 . ILE . 27098 1 34 . LYS . 27098 1 35 . ALA . 27098 1 36 . ARG . 27098 1 37 . GLY . 27098 1 38 . LYS . 27098 1 39 . ALA . 27098 1 40 . ILE . 27098 1 41 . SER . 27098 1 42 . ARG . 27098 1 43 . ALA . 27098 1 44 . VAL . 27098 1 45 . ASP . 27098 1 46 . VAL . 27098 1 47 . GLU . 27098 1 48 . GLU . 27098 1 49 . MET . 27098 1 50 . VAL . 27098 1 51 . ARG . 27098 1 52 . ASN . 27098 1 53 . ARG . 27098 1 54 . PHE . 27098 1 55 . LEU . 27098 1 56 . ALA . 27098 1 57 . GLU . 27098 1 58 . VAL . 27098 1 59 . LYS . 27098 1 60 . VAL . 27098 1 61 . LYS . 27098 1 62 . GLU . 27098 1 63 . ILE . 27098 1 64 . ASN . 27098 1 65 . LEU . 27098 1 66 . GLY . 27098 1 67 . THR . 27098 1 68 . ASP . 27098 1 69 . LYS . 27098 1 70 . VAL . 27098 1 71 . GLN . 27098 1 72 . ASN . 27098 1 73 . ASP . 27098 1 74 . ASP . 27098 1 75 . GLY . 27098 1 76 . LYS . 27098 1 77 . SER . 27098 1 78 . VAL . 27098 1 79 . ASN . 27098 1 80 . ILE . 27098 1 81 . SER . 27098 1 82 . THR . 27098 1 83 . ILE . 27098 1 84 . GLU . 27098 1 85 . ILE . 27098 1 86 . VAL . 27098 1 87 . LEU . 27098 1 88 . GLU . 27098 1 89 . LYS . 27098 1 90 . LEU . 27098 1 91 . GLU . 27098 1 92 . HIS . 27098 1 93 . HIS . 27098 1 94 . HIS . 27098 1 95 . HIS . 27098 1 96 . HIS . 27098 1 97 . HIS . 27098 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27098 1 . ASP 2 2 27098 1 . SER 3 3 27098 1 . THR 4 4 27098 1 . VAL 5 5 27098 1 . TYR 6 6 27098 1 . VAL 7 7 27098 1 . GLY 8 8 27098 1 . ASN 9 9 27098 1 . LYS 10 10 27098 1 . GLY 11 11 27098 1 . VAL 12 12 27098 1 . THR 13 13 27098 1 . ASN 14 14 27098 1 . TYR 15 15 27098 1 . VAL 16 16 27098 1 . GLN 17 17 27098 1 . ALA 18 18 27098 1 . VAL 19 19 27098 1 . GLN 20 20 27098 1 . THR 21 21 27098 1 . GLN 22 22 27098 1 . PHE 23 23 27098 1 . ASN 24 24 27098 1 . THR 25 25 27098 1 . GLU 26 26 27098 1 . ASN 27 27 27098 1 . ALA 28 28 27098 1 . LYS 29 29 27098 1 . GLU 30 30 27098 1 . VAL 31 31 27098 1 . ARG 32 32 27098 1 . ILE 33 33 27098 1 . LYS 34 34 27098 1 . ALA 35 35 27098 1 . ARG 36 36 27098 1 . GLY 37 37 27098 1 . LYS 38 38 27098 1 . ALA 39 39 27098 1 . ILE 40 40 27098 1 . SER 41 41 27098 1 . ARG 42 42 27098 1 . ALA 43 43 27098 1 . VAL 44 44 27098 1 . ASP 45 45 27098 1 . VAL 46 46 27098 1 . GLU 47 47 27098 1 . GLU 48 48 27098 1 . MET 49 49 27098 1 . VAL 50 50 27098 1 . ARG 51 51 27098 1 . ASN 52 52 27098 1 . ARG 53 53 27098 1 . PHE 54 54 27098 1 . LEU 55 55 27098 1 . ALA 56 56 27098 1 . GLU 57 57 27098 1 . VAL 58 58 27098 1 . LYS 59 59 27098 1 . VAL 60 60 27098 1 . LYS 61 61 27098 1 . GLU 62 62 27098 1 . ILE 63 63 27098 1 . ASN 64 64 27098 1 . LEU 65 65 27098 1 . GLY 66 66 27098 1 . THR 67 67 27098 1 . ASP 68 68 27098 1 . LYS 69 69 27098 1 . VAL 70 70 27098 1 . GLN 71 71 27098 1 . ASN 72 72 27098 1 . ASP 73 73 27098 1 . ASP 74 74 27098 1 . GLY 75 75 27098 1 . LYS 76 76 27098 1 . SER 77 77 27098 1 . VAL 78 78 27098 1 . ASN 79 79 27098 1 . ILE 80 80 27098 1 . SER 81 81 27098 1 . THR 82 82 27098 1 . ILE 83 83 27098 1 . GLU 84 84 27098 1 . ILE 85 85 27098 1 . VAL 86 86 27098 1 . LEU 87 87 27098 1 . GLU 88 88 27098 1 . LYS 89 89 27098 1 . LEU 90 90 27098 1 . GLU 91 91 27098 1 . HIS 92 92 27098 1 . HIS 93 93 27098 1 . HIS 94 94 27098 1 . HIS 95 95 27098 1 . HIS 96 96 27098 1 . HIS 97 97 27098 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 27098 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $mth10btqqa . 2186 organism . 'Methanothermococcus thermolithotrophicus' 'Methanothermococcus thermolithotrophicus' . . Archaea . Methanothermococcus thermolithotrophicus . . . . . . . . . . . . . 27098 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 27098 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $mth10btqqa . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET22b . . . 27098 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_n15 _Sample.Sf_category sample _Sample.Sf_framecode sample_n15 _Sample.Entry_ID 27098 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 mth10btqqa [U-15N] . . 1 $mth10btqqa . . 1 . . mM . . . . 27098 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27098 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27098 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . mM . . . . 27098 1 5 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 27098 1 stop_ save_ save_sample_c13 _Sample.Sf_category sample _Sample.Sf_framecode sample_c13 _Sample.Entry_ID 27098 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 mth10btqqa [U-13C] . . 1 $mth10btqqa . . 1 . . mM . . . . 27098 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27098 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27098 2 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . mM . . . . 27098 2 5 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 27098 2 stop_ save_ save_sample_c13n15 _Sample.Sf_category sample _Sample.Sf_framecode sample_c13n15 _Sample.Entry_ID 27098 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 mth10btqqa '[U-13C; U-15N]' . . 1 $mth10btqqa . . 1 . . mM . . . . 27098 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27098 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27098 3 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . mM . . . . 27098 3 5 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 27098 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27098 _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 'ionic strength' 150 . mM 27098 1 pH 6.0 . pH 27098 1 pressure 1 . atm 27098 1 temperature 310 . K 27098 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 27098 _Software.ID 1 _Software.Type . _Software.Name xwinnmr _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27098 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27098 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 27098 _Software.ID 2 _Software.Type . _Software.Name Felix _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 27098 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27098 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27098 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27098 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27098 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27098 _Software.ID 4 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27098 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27098 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27098 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 27098 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 27098 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_c13 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_c13 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 5 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_c13 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_c13n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 7 '3D HNCACB' no . . . . . . . . . . 3 $sample_c13n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 8 '3D HNCA' no . . . . . . . . . . 3 $sample_c13n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 9 '3D HNCO' no . . . . . . . . . . 3 $sample_c13n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 10 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_c13n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_c13n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 12 '3D HBHANH' no . . . . . . . . . . 3 $sample_c13n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_c13n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 14 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_c13n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 15 '3D CCH-TOCSY' no . . . . . . . . . . 3 $sample_c13n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 16 '3D CCH-COSY' no . . . . . . . . . . 3 $sample_c13n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27098 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27098 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27098 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27098 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27098 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27098 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 27098 1 2 '3D 1H-15N NOESY' . . . 27098 1 3 '2D 1H-13C HSQC' . . . 27098 1 4 '3D 1H-13C NOESY aliphatic' . . . 27098 1 5 '3D 1H-13C NOESY aromatic' . . . 27098 1 6 '3D CBCA(CO)NH' . . . 27098 1 7 '3D HNCACB' . . . 27098 1 8 '3D HNCA' . . . 27098 1 9 '3D HNCO' . . . 27098 1 10 '3D HN(CA)CO' . . . 27098 1 11 '3D HBHA(CO)NH' . . . 27098 1 12 '3D HBHANH' . . . 27098 1 13 '3D HCCH-TOCSY' . . . 27098 1 14 '3D HCCH-COSY' . . . 27098 1 15 '3D CCH-TOCSY' . . . 27098 1 16 '3D CCH-COSY' . . . 27098 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.Ambiguity_set_ID _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 2 2 ASP HA H 1 4.8300 0.02 . 1 . . . . . 2 ASP HA . 27098 1 2 . 1 1 2 2 ASP HB2 H 1 2.8300 0.02 . 2 . . . . . 2 ASP HB2 . 27098 1 3 . 1 1 2 2 ASP HB3 H 1 2.6670 0.02 . 2 . . . . . 2 ASP HB3 . 27098 1 4 . 1 1 2 2 ASP C C 13 175.7770 0.3 . 1 . . . . . 2 ASP C . 27098 1 5 . 1 1 2 2 ASP CA C 13 54.2670 0.3 . 1 . . . . . 2 ASP CA . 27098 1 6 . 1 1 2 2 ASP CB C 13 41.4980 0.3 . 1 . . . . . 2 ASP CB . 27098 1 7 . 1 1 3 3 SER H H 1 8.4410 0.02 . 1 . . . . . 3 SER H . 27098 1 8 . 1 1 3 3 SER HA H 1 4.5430 0.02 . 1 . . . . . 3 SER HA . 27098 1 9 . 1 1 3 3 SER HB2 H 1 3.9820 0.02 . 2 . . . . . 3 SER HB2 . 27098 1 10 . 1 1 3 3 SER HB3 H 1 3.8650 0.02 . 2 . . . . . 3 SER HB3 . 27098 1 11 . 1 1 3 3 SER C C 13 173.8620 0.3 . 1 . . . . . 3 SER C . 27098 1 12 . 1 1 3 3 SER CA C 13 58.4060 0.3 . 1 . . . . . 3 SER CA . 27098 1 13 . 1 1 3 3 SER CB C 13 63.7290 0.3 . 1 . . . . . 3 SER CB . 27098 1 14 . 1 1 3 3 SER N N 15 118.0810 0.2 . 1 . . . . . 3 SER N . 27098 1 15 . 1 1 4 4 THR H H 1 8.0550 0.02 . 1 . . . . . 4 THR H . 27098 1 16 . 1 1 4 4 THR HA H 1 4.7230 0.02 . 1 . . . . . 4 THR HA . 27098 1 17 . 1 1 4 4 THR HB H 1 3.7820 0.02 . 1 . . . . . 4 THR HB . 27098 1 18 . 1 1 4 4 THR HG21 H 1 0.5000 0.02 . 1 . . . . . 4 THR HG21 . 27098 1 19 . 1 1 4 4 THR HG22 H 1 0.5000 0.02 . 1 . . . . . 4 THR HG21 . 27098 1 20 . 1 1 4 4 THR HG23 H 1 0.5000 0.02 . 1 . . . . . 4 THR HG21 . 27098 1 21 . 1 1 4 4 THR C C 13 173.3230 0.3 . 1 . . . . . 4 THR C . 27098 1 22 . 1 1 4 4 THR CA C 13 62.5340 0.3 . 1 . . . . . 4 THR CA . 27098 1 23 . 1 1 4 4 THR CB C 13 70.3040 0.3 . 1 . . . . . 4 THR CB . 27098 1 24 . 1 1 4 4 THR CG2 C 13 21.1800 0.3 . 1 . . . . . 4 THR CG2 . 27098 1 25 . 1 1 4 4 THR N N 15 119.9250 0.2 . 1 . . . . . 4 THR N . 27098 1 26 . 1 1 5 5 VAL H H 1 9.0660 0.02 . 1 . . . . . 5 VAL H . 27098 1 27 . 1 1 5 5 VAL HA H 1 4.0780 0.02 . 1 . . . . . 5 VAL HA . 27098 1 28 . 1 1 5 5 VAL HB H 1 1.7810 0.02 . 1 . . . . . 5 VAL HB . 27098 1 29 . 1 1 5 5 VAL HG11 H 1 0.7690 0.02 . 2 . . . . . 5 VAL HG11 . 27098 1 30 . 1 1 5 5 VAL HG12 H 1 0.7690 0.02 . 2 . . . . . 5 VAL HG11 . 27098 1 31 . 1 1 5 5 VAL HG13 H 1 0.7690 0.02 . 2 . . . . . 5 VAL HG11 . 27098 1 32 . 1 1 5 5 VAL HG21 H 1 0.9190 0.02 . 2 . . . . . 5 VAL HG21 . 27098 1 33 . 1 1 5 5 VAL HG22 H 1 0.9190 0.02 . 2 . . . . . 5 VAL HG21 . 27098 1 34 . 1 1 5 5 VAL HG23 H 1 0.9190 0.02 . 2 . . . . . 5 VAL HG21 . 27098 1 35 . 1 1 5 5 VAL C C 13 173.5850 0.3 . 1 . . . . . 5 VAL C . 27098 1 36 . 1 1 5 5 VAL CA C 13 61.8950 0.3 . 1 . . . . . 5 VAL CA . 27098 1 37 . 1 1 5 5 VAL CB C 13 33.3560 0.3 . 1 . . . . . 5 VAL CB . 27098 1 38 . 1 1 5 5 VAL CG1 C 13 20.4000 0.3 . 2 . . . . . 5 VAL CG1 . 27098 1 39 . 1 1 5 5 VAL CG2 C 13 20.4000 0.3 . 2 . . . . . 5 VAL CG2 . 27098 1 40 . 1 1 5 5 VAL N N 15 128.4230 0.2 . 1 . . . . . 5 VAL N . 27098 1 41 . 1 1 6 6 TYR H H 1 8.4690 0.02 . 1 . . . . . 6 TYR H . 27098 1 42 . 1 1 6 6 TYR HA H 1 4.7410 0.02 . 1 . . . . . 6 TYR HA . 27098 1 43 . 1 1 6 6 TYR HB2 H 1 2.7540 0.02 . 2 . . . . . 6 TYR HB2 . 27098 1 44 . 1 1 6 6 TYR HB3 H 1 2.8620 0.02 . 2 . . . . . 6 TYR HB3 . 27098 1 45 . 1 1 6 6 TYR HD1 H 1 7.0500 0.02 . 3 . . . . . 6 TYR HD1 . 27098 1 46 . 1 1 6 6 TYR HD2 H 1 7.0500 0.02 . 3 . . . . . 6 TYR HD2 . 27098 1 47 . 1 1 6 6 TYR HE1 H 1 6.7420 0.02 . 3 . . . . . 6 TYR HE1 . 27098 1 48 . 1 1 6 6 TYR HE2 H 1 6.7420 0.02 . 3 . . . . . 6 TYR HE2 . 27098 1 49 . 1 1 6 6 TYR C C 13 175.9090 0.3 . 1 . . . . . 6 TYR C . 27098 1 50 . 1 1 6 6 TYR CA C 13 57.5170 0.3 . 1 . . . . . 6 TYR CA . 27098 1 51 . 1 1 6 6 TYR CB C 13 38.1690 0.3 . 1 . . . . . 6 TYR CB . 27098 1 52 . 1 1 6 6 TYR CD1 C 13 133.3500 0.3 . 3 . . . . . 6 TYR CD1 . 27098 1 53 . 1 1 6 6 TYR CD2 C 13 133.3500 0.3 . 3 . . . . . 6 TYR CD2 . 27098 1 54 . 1 1 6 6 TYR CE1 C 13 118.1000 0.3 . 3 . . . . . 6 TYR CE1 . 27098 1 55 . 1 1 6 6 TYR CE2 C 13 118.1000 0.3 . 3 . . . . . 6 TYR CE2 . 27098 1 56 . 1 1 6 6 TYR N N 15 127.9100 0.2 . 1 . . . . . 6 TYR N . 27098 1 57 . 1 1 7 7 VAL H H 1 8.6460 0.02 . 1 . . . . . 7 VAL H . 27098 1 58 . 1 1 7 7 VAL HA H 1 2.6280 0.02 . 1 . . . . . 7 VAL HA . 27098 1 59 . 1 1 7 7 VAL HB H 1 1.6420 0.02 . 1 . . . . . 7 VAL HB . 27098 1 60 . 1 1 7 7 VAL HG11 H 1 0.5140 0.02 . 2 . . . . . 7 VAL HG11 . 27098 1 61 . 1 1 7 7 VAL HG12 H 1 0.5140 0.02 . 2 . . . . . 7 VAL HG11 . 27098 1 62 . 1 1 7 7 VAL HG13 H 1 0.5140 0.02 . 2 . . . . . 7 VAL HG11 . 27098 1 63 . 1 1 7 7 VAL HG21 H 1 0.3960 0.02 . 2 . . . . . 7 VAL HG21 . 27098 1 64 . 1 1 7 7 VAL HG22 H 1 0.3960 0.02 . 2 . . . . . 7 VAL HG21 . 27098 1 65 . 1 1 7 7 VAL HG23 H 1 0.3960 0.02 . 2 . . . . . 7 VAL HG21 . 27098 1 66 . 1 1 7 7 VAL C C 13 173.6050 0.3 . 1 . . . . . 7 VAL C . 27098 1 67 . 1 1 7 7 VAL CA C 13 63.4150 0.3 . 1 . . . . . 7 VAL CA . 27098 1 68 . 1 1 7 7 VAL CB C 13 31.5480 0.3 . 1 . . . . . 7 VAL CB . 27098 1 69 . 1 1 7 7 VAL CG1 C 13 20.7500 0.3 . 2 . . . . . 7 VAL CG1 . 27098 1 70 . 1 1 7 7 VAL CG2 C 13 22.5000 0.3 . 2 . . . . . 7 VAL CG2 . 27098 1 71 . 1 1 7 7 VAL N N 15 126.8070 0.2 . 1 . . . . . 7 VAL N . 27098 1 72 . 1 1 8 8 GLY H H 1 6.7310 0.02 . 1 . . . . . 8 GLY H . 27098 1 73 . 1 1 8 8 GLY HA2 H 1 4.4100 0.02 . 2 . . . . . 8 GLY HA2 . 27098 1 74 . 1 1 8 8 GLY HA3 H 1 3.6840 0.02 . 2 . . . . . 8 GLY HA3 . 27098 1 75 . 1 1 8 8 GLY C C 13 173.5850 0.3 . 1 . . . . . 8 GLY C . 27098 1 76 . 1 1 8 8 GLY CA C 13 45.2730 0.3 . 1 . . . . . 8 GLY CA . 27098 1 77 . 1 1 8 8 GLY N N 15 116.8730 0.2 . 1 . . . . . 8 GLY N . 27098 1 78 . 1 1 9 9 ASN HA H 1 4.8970 0.02 . 1 . . . . . 9 ASN HA . 27098 1 79 . 1 1 9 9 ASN HB2 H 1 2.8930 0.02 . 2 . . . . . 9 ASN HB2 . 27098 1 80 . 1 1 9 9 ASN HB3 H 1 2.9640 0.02 . 2 . . . . . 9 ASN HB3 . 27098 1 81 . 1 1 9 9 ASN HD21 H 1 7.6210 0.02 . 1 . . . . . 9 ASN HD21 . 27098 1 82 . 1 1 9 9 ASN HD22 H 1 6.8960 0.02 . 1 . . . . . 9 ASN HD22 . 27098 1 83 . 1 1 9 9 ASN C C 13 176.5440 0.3 . 1 . . . . . 9 ASN C . 27098 1 84 . 1 1 9 9 ASN CA C 13 53.1800 0.3 . 1 . . . . . 9 ASN CA . 27098 1 85 . 1 1 9 9 ASN CB C 13 39.1700 0.3 . 1 . . . . . 9 ASN CB . 27098 1 86 . 1 1 9 9 ASN ND2 N 15 112.5100 0.2 . 1 . . . . . 9 ASN ND2 . 27098 1 87 . 1 1 10 10 LYS H H 1 8.0130 0.02 . 1 . . . . . 10 LYS H . 27098 1 88 . 1 1 10 10 LYS HA H 1 4.4810 0.02 . 1 . . . . . 10 LYS HA . 27098 1 89 . 1 1 10 10 LYS HB2 H 1 1.7650 0.02 . 2 . . . . . 10 LYS HB2 . 27098 1 90 . 1 1 10 10 LYS HB3 H 1 1.6040 0.02 . 2 . . . . . 10 LYS HB3 . 27098 1 91 . 1 1 10 10 LYS HG2 H 1 1.4550 0.02 . 2 . . . . . 10 LYS HG2 . 27098 1 92 . 1 1 10 10 LYS HG3 H 1 1.5890 0.02 . 2 . . . . . 10 LYS HG3 . 27098 1 93 . 1 1 10 10 LYS HD2 H 1 1.5920 0.02 . 2 . . . . . 10 LYS HD2 . 27098 1 94 . 1 1 10 10 LYS HD3 H 1 1.5920 0.02 . 2 . . . . . 10 LYS HD3 . 27098 1 95 . 1 1 10 10 LYS HE2 H 1 3.0180 0.02 . 2 . . . . . 10 LYS HE2 . 27098 1 96 . 1 1 10 10 LYS HE3 H 1 3.0180 0.02 . 2 . . . . . 10 LYS HE3 . 27098 1 97 . 1 1 10 10 LYS C C 13 175.3220 0.3 . 1 . . . . . 10 LYS C . 27098 1 98 . 1 1 10 10 LYS CA C 13 56.1690 0.3 . 1 . . . . . 10 LYS CA . 27098 1 99 . 1 1 10 10 LYS CB C 13 32.2060 0.3 . 1 . . . . . 10 LYS CB . 27098 1 100 . 1 1 10 10 LYS CG C 13 25.5900 0.3 . 1 . . . . . 10 LYS CG . 27098 1 101 . 1 1 10 10 LYS CD C 13 29.1600 0.3 . 1 . . . . . 10 LYS CD . 27098 1 102 . 1 1 10 10 LYS CE C 13 42.2900 0.3 . 1 . . . . . 10 LYS CE . 27098 1 103 . 1 1 10 10 LYS N N 15 118.3400 0.2 . 1 . . . . . 10 LYS N . 27098 1 104 . 1 1 11 11 GLY H H 1 8.1840 0.02 . 1 . . . . . 11 GLY H . 27098 1 105 . 1 1 11 11 GLY HA2 H 1 4.0450 0.02 . 2 . . . . . 11 GLY HA2 . 27098 1 106 . 1 1 11 11 GLY HA3 H 1 3.8850 0.02 . 2 . . . . . 11 GLY HA3 . 27098 1 107 . 1 1 11 11 GLY C C 13 174.8310 0.3 . 1 . . . . . 11 GLY C . 27098 1 108 . 1 1 11 11 GLY CA C 13 45.5490 0.3 . 1 . . . . . 11 GLY CA . 27098 1 109 . 1 1 11 11 GLY N N 15 105.4890 0.2 . 1 . . . . . 11 GLY N . 27098 1 110 . 1 1 12 12 VAL H H 1 8.5530 0.02 . 1 . . . . . 12 VAL H . 27098 1 111 . 1 1 12 12 VAL HA H 1 3.7920 0.02 . 1 . . . . . 12 VAL HA . 27098 1 112 . 1 1 12 12 VAL HB H 1 2.2080 0.02 . 1 . . . . . 12 VAL HB . 27098 1 113 . 1 1 12 12 VAL HG11 H 1 1.0480 0.02 . 2 . . . . . 12 VAL HG11 . 27098 1 114 . 1 1 12 12 VAL HG12 H 1 1.0480 0.02 . 2 . . . . . 12 VAL HG11 . 27098 1 115 . 1 1 12 12 VAL HG13 H 1 1.0480 0.02 . 2 . . . . . 12 VAL HG11 . 27098 1 116 . 1 1 12 12 VAL HG21 H 1 1.2260 0.02 . 2 . . . . . 12 VAL HG21 . 27098 1 117 . 1 1 12 12 VAL HG22 H 1 1.2260 0.02 . 2 . . . . . 12 VAL HG21 . 27098 1 118 . 1 1 12 12 VAL HG23 H 1 1.2260 0.02 . 2 . . . . . 12 VAL HG21 . 27098 1 119 . 1 1 12 12 VAL C C 13 178.0760 0.3 . 1 . . . . . 12 VAL C . 27098 1 120 . 1 1 12 12 VAL CA C 13 66.9300 0.3 . 1 . . . . . 12 VAL CA . 27098 1 121 . 1 1 12 12 VAL CB C 13 32.8300 0.3 . 1 . . . . . 12 VAL CB . 27098 1 122 . 1 1 12 12 VAL CG1 C 13 21.3200 0.3 . 2 . . . . . 12 VAL CG1 . 27098 1 123 . 1 1 12 12 VAL CG2 C 13 23.2900 0.3 . 2 . . . . . 12 VAL CG2 . 27098 1 124 . 1 1 12 12 VAL N N 15 120.7870 0.2 . 1 . . . . . 12 VAL N . 27098 1 125 . 1 1 13 13 THR H H 1 8.3460 0.02 . 1 . . . . . 13 THR H . 27098 1 126 . 1 1 13 13 THR HA H 1 3.8220 0.02 . 1 . . . . . 13 THR HA . 27098 1 127 . 1 1 13 13 THR HB H 1 4.1930 0.02 . 1 . . . . . 13 THR HB . 27098 1 128 . 1 1 13 13 THR HG21 H 1 1.2600 0.02 . 1 . . . . . 13 THR HG21 . 27098 1 129 . 1 1 13 13 THR HG22 H 1 1.2600 0.02 . 1 . . . . . 13 THR HG21 . 27098 1 130 . 1 1 13 13 THR HG23 H 1 1.2600 0.02 . 1 . . . . . 13 THR HG21 . 27098 1 131 . 1 1 13 13 THR C C 13 176.1580 0.3 . 1 . . . . . 13 THR C . 27098 1 132 . 1 1 13 13 THR CA C 13 65.9000 0.3 . 1 . . . . . 13 THR CA . 27098 1 133 . 1 1 13 13 THR CB C 13 68.2000 0.3 . 1 . . . . . 13 THR CB . 27098 1 134 . 1 1 13 13 THR CG2 C 13 22.3600 0.3 . 1 . . . . . 13 THR CG2 . 27098 1 135 . 1 1 13 13 THR N N 15 111.8350 0.2 . 1 . . . . . 13 THR N . 27098 1 136 . 1 1 14 14 ASN H H 1 7.6460 0.02 . 1 . . . . . 14 ASN H . 27098 1 137 . 1 1 14 14 ASN HA H 1 4.2650 0.02 . 1 . . . . . 14 ASN HA . 27098 1 138 . 1 1 14 14 ASN HB2 H 1 2.3630 0.02 . 2 . . . . . 14 ASN HB2 . 27098 1 139 . 1 1 14 14 ASN HB3 H 1 2.3630 0.02 . 2 . . . . . 14 ASN HB3 . 27098 1 140 . 1 1 14 14 ASN HD21 H 1 6.9540 0.02 . 1 . . . . . 14 ASN HD21 . 27098 1 141 . 1 1 14 14 ASN HD22 H 1 6.9540 0.02 . 1 . . . . . 14 ASN HD22 . 27098 1 142 . 1 1 14 14 ASN C C 13 177.6690 0.3 . 1 . . . . . 14 ASN C . 27098 1 143 . 1 1 14 14 ASN CA C 13 56.8090 0.3 . 1 . . . . . 14 ASN CA . 27098 1 144 . 1 1 14 14 ASN CB C 13 38.2670 0.3 . 1 . . . . . 14 ASN CB . 27098 1 145 . 1 1 14 14 ASN N N 15 119.7810 0.2 . 1 . . . . . 14 ASN N . 27098 1 146 . 1 1 14 14 ASN ND2 N 15 112.9700 0.2 . 1 . . . . . 14 ASN ND2 . 27098 1 147 . 1 1 15 15 TYR H H 1 7.0760 0.02 . 1 . . . . . 15 TYR H . 27098 1 148 . 1 1 15 15 TYR HA H 1 4.4340 0.02 . 1 . . . . . 15 TYR HA . 27098 1 149 . 1 1 15 15 TYR HB2 H 1 2.9930 0.02 . 2 . . . . . 15 TYR HB2 . 27098 1 150 . 1 1 15 15 TYR HB3 H 1 2.9930 0.02 . 2 . . . . . 15 TYR HB3 . 27098 1 151 . 1 1 15 15 TYR HD1 H 1 7.0340 0.02 . 3 . . . . . 15 TYR HD1 . 27098 1 152 . 1 1 15 15 TYR HD2 H 1 7.0340 0.02 . 3 . . . . . 15 TYR HD2 . 27098 1 153 . 1 1 15 15 TYR HE1 H 1 7.0340 0.02 . 3 . . . . . 15 TYR HE1 . 27098 1 154 . 1 1 15 15 TYR HE2 H 1 7.0340 0.02 . 3 . . . . . 15 TYR HE2 . 27098 1 155 . 1 1 15 15 TYR C C 13 177.4780 0.3 . 1 . . . . . 15 TYR C . 27098 1 156 . 1 1 15 15 TYR CA C 13 60.1970 0.3 . 1 . . . . . 15 TYR CA . 27098 1 157 . 1 1 15 15 TYR CB C 13 38.6860 0.3 . 1 . . . . . 15 TYR CB . 27098 1 158 . 1 1 15 15 TYR CD1 C 13 133.4000 0.3 . 3 . . . . . 15 TYR CD1 . 27098 1 159 . 1 1 15 15 TYR CD2 C 13 133.4000 0.3 . 3 . . . . . 15 TYR CD2 . 27098 1 160 . 1 1 15 15 TYR CE1 C 13 120.2000 0.3 . 3 . . . . . 15 TYR CE1 . 27098 1 161 . 1 1 15 15 TYR CE2 C 13 120.2000 0.3 . 3 . . . . . 15 TYR CE2 . 27098 1 162 . 1 1 15 15 TYR N N 15 118.1590 0.2 . 1 . . . . . 15 TYR N . 27098 1 163 . 1 1 16 16 VAL H H 1 8.3030 0.02 . 1 . . . . . 16 VAL H . 27098 1 164 . 1 1 16 16 VAL HA H 1 3.3940 0.02 . 1 . . . . . 16 VAL HA . 27098 1 165 . 1 1 16 16 VAL HB H 1 2.1900 0.02 . 1 . . . . . 16 VAL HB . 27098 1 166 . 1 1 16 16 VAL HG11 H 1 0.8860 0.02 . 2 . . . . . 16 VAL HG11 . 27098 1 167 . 1 1 16 16 VAL HG12 H 1 0.8860 0.02 . 2 . . . . . 16 VAL HG11 . 27098 1 168 . 1 1 16 16 VAL HG13 H 1 0.8860 0.02 . 2 . . . . . 16 VAL HG11 . 27098 1 169 . 1 1 16 16 VAL HG21 H 1 1.3120 0.02 . 2 . . . . . 16 VAL HG21 . 27098 1 170 . 1 1 16 16 VAL HG22 H 1 1.3120 0.02 . 2 . . . . . 16 VAL HG21 . 27098 1 171 . 1 1 16 16 VAL HG23 H 1 1.3120 0.02 . 2 . . . . . 16 VAL HG21 . 27098 1 172 . 1 1 16 16 VAL C C 13 177.8380 0.3 . 1 . . . . . 16 VAL C . 27098 1 173 . 1 1 16 16 VAL CA C 13 67.1770 0.3 . 1 . . . . . 16 VAL CA . 27098 1 174 . 1 1 16 16 VAL CB C 13 31.8900 0.3 . 1 . . . . . 16 VAL CB . 27098 1 175 . 1 1 16 16 VAL CG1 C 13 20.6800 0.3 . 2 . . . . . 16 VAL CG1 . 27098 1 176 . 1 1 16 16 VAL CG2 C 13 25.1000 0.3 . 2 . . . . . 16 VAL CG2 . 27098 1 177 . 1 1 16 16 VAL N N 15 121.0290 0.2 . 1 . . . . . 16 VAL N . 27098 1 178 . 1 1 17 17 GLN H H 1 8.0570 0.02 . 1 . . . . . 17 GLN H . 27098 1 179 . 1 1 17 17 GLN HA H 1 4.1080 0.02 . 1 . . . . . 17 GLN HA . 27098 1 180 . 1 1 17 17 GLN HB2 H 1 2.1720 0.02 . 2 . . . . . 17 GLN HB2 . 27098 1 181 . 1 1 17 17 GLN HB3 H 1 2.1720 0.02 . 2 . . . . . 17 GLN HB3 . 27098 1 182 . 1 1 17 17 GLN HG2 H 1 2.4200 0.02 . 2 . . . . . 17 GLN HG2 . 27098 1 183 . 1 1 17 17 GLN HG3 H 1 2.4950 0.02 . 2 . . . . . 17 GLN HG3 . 27098 1 184 . 1 1 17 17 GLN HE21 H 1 7.3380 0.02 . 1 . . . . . 17 GLN HE21 . 27098 1 185 . 1 1 17 17 GLN HE22 H 1 6.7750 0.02 . 1 . . . . . 17 GLN HE22 . 27098 1 186 . 1 1 17 17 GLN C C 13 178.4480 0.3 . 1 . . . . . 17 GLN C . 27098 1 187 . 1 1 17 17 GLN CA C 13 59.0090 0.3 . 1 . . . . . 17 GLN CA . 27098 1 188 . 1 1 17 17 GLN CB C 13 27.9600 0.3 . 1 . . . . . 17 GLN CB . 27098 1 189 . 1 1 17 17 GLN CG C 13 34.0640 0.3 . 1 . . . . . 17 GLN CG . 27098 1 190 . 1 1 17 17 GLN N N 15 117.9100 0.2 . 1 . . . . . 17 GLN N . 27098 1 191 . 1 1 17 17 GLN NE2 N 15 111.5200 0.2 . 1 . . . . . 17 GLN NE2 . 27098 1 192 . 1 1 18 18 ALA H H 1 7.5310 0.02 . 1 . . . . . 18 ALA H . 27098 1 193 . 1 1 18 18 ALA HA H 1 4.2500 0.02 . 1 . . . . . 18 ALA HA . 27098 1 194 . 1 1 18 18 ALA HB1 H 1 1.7060 0.02 . 1 . . . . . 18 ALA HB1 . 27098 1 195 . 1 1 18 18 ALA HB2 H 1 1.7060 0.02 . 1 . . . . . 18 ALA HB1 . 27098 1 196 . 1 1 18 18 ALA HB3 H 1 1.7060 0.02 . 1 . . . . . 18 ALA HB1 . 27098 1 197 . 1 1 18 18 ALA C C 13 180.3670 0.3 . 1 . . . . . 18 ALA C . 27098 1 198 . 1 1 18 18 ALA CA C 13 55.6850 0.3 . 1 . . . . . 18 ALA CA . 27098 1 199 . 1 1 18 18 ALA CB C 13 18.1830 0.3 . 1 . . . . . 18 ALA CB . 27098 1 200 . 1 1 18 18 ALA N N 15 122.6760 0.2 . 1 . . . . . 18 ALA N . 27098 1 201 . 1 1 19 19 VAL H H 1 8.0960 0.02 . 1 . . . . . 19 VAL H . 27098 1 202 . 1 1 19 19 VAL HA H 1 3.3030 0.02 . 1 . . . . . 19 VAL HA . 27098 1 203 . 1 1 19 19 VAL HB H 1 2.2650 0.02 . 1 . . . . . 19 VAL HB . 27098 1 204 . 1 1 19 19 VAL HG11 H 1 0.9440 0.02 . 2 . . . . . 19 VAL HG11 . 27098 1 205 . 1 1 19 19 VAL HG12 H 1 0.9440 0.02 . 2 . . . . . 19 VAL HG11 . 27098 1 206 . 1 1 19 19 VAL HG13 H 1 0.9440 0.02 . 2 . . . . . 19 VAL HG11 . 27098 1 207 . 1 1 19 19 VAL HG21 H 1 0.8280 0.02 . 2 . . . . . 19 VAL HG21 . 27098 1 208 . 1 1 19 19 VAL HG22 H 1 0.8280 0.02 . 2 . . . . . 19 VAL HG21 . 27098 1 209 . 1 1 19 19 VAL HG23 H 1 0.8280 0.02 . 2 . . . . . 19 VAL HG21 . 27098 1 210 . 1 1 19 19 VAL C C 13 177.2970 0.3 . 1 . . . . . 19 VAL C . 27098 1 211 . 1 1 19 19 VAL CA C 13 67.0500 0.3 . 1 . . . . . 19 VAL CA . 27098 1 212 . 1 1 19 19 VAL CB C 13 31.3590 0.3 . 1 . . . . . 19 VAL CB . 27098 1 213 . 1 1 19 19 VAL CG1 C 13 22.8500 0.3 . 2 . . . . . 19 VAL CG1 . 27098 1 214 . 1 1 19 19 VAL CG2 C 13 22.8500 0.3 . 2 . . . . . 19 VAL CG2 . 27098 1 215 . 1 1 19 19 VAL N N 15 118.7970 0.2 . 1 . . . . . 19 VAL N . 27098 1 216 . 1 1 20 20 GLN H H 1 8.6120 0.02 . 1 . . . . . 20 GLN H . 27098 1 217 . 1 1 20 20 GLN HA H 1 4.0350 0.02 . 1 . . . . . 20 GLN HA . 27098 1 218 . 1 1 20 20 GLN HB2 H 1 2.2850 0.02 . 2 . . . . . 20 GLN HB2 . 27098 1 219 . 1 1 20 20 GLN HB3 H 1 2.2850 0.02 . 2 . . . . . 20 GLN HB3 . 27098 1 220 . 1 1 20 20 GLN HG2 H 1 2.3490 0.02 . 2 . . . . . 20 GLN HG2 . 27098 1 221 . 1 1 20 20 GLN HG3 H 1 2.5190 0.02 . 2 . . . . . 20 GLN HG3 . 27098 1 222 . 1 1 20 20 GLN HE21 H 1 7.1490 0.02 . 1 . . . . . 20 GLN HE21 . 27098 1 223 . 1 1 20 20 GLN HE22 H 1 6.6970 0.02 . 1 . . . . . 20 GLN HE22 . 27098 1 224 . 1 1 20 20 GLN C C 13 178.1950 0.3 . 1 . . . . . 20 GLN C . 27098 1 225 . 1 1 20 20 GLN CA C 13 60.1900 0.3 . 1 . . . . . 20 GLN CA . 27098 1 226 . 1 1 20 20 GLN CB C 13 28.9000 0.3 . 1 . . . . . 20 GLN CB . 27098 1 227 . 1 1 20 20 GLN CG C 13 34.6500 0.3 . 1 . . . . . 20 GLN CG . 27098 1 228 . 1 1 20 20 GLN N N 15 118.0630 0.2 . 1 . . . . . 20 GLN N . 27098 1 229 . 1 1 20 20 GLN NE2 N 15 109.4800 0.2 . 1 . . . . . 20 GLN NE2 . 27098 1 230 . 1 1 21 21 THR H H 1 8.6790 0.02 . 1 . . . . . 21 THR H . 27098 1 231 . 1 1 21 21 THR HA H 1 4.0660 0.02 . 1 . . . . . 21 THR HA . 27098 1 232 . 1 1 21 21 THR HB H 1 4.3420 0.02 . 1 . . . . . 21 THR HB . 27098 1 233 . 1 1 21 21 THR HG21 H 1 1.2850 0.02 . 1 . . . . . 21 THR HG21 . 27098 1 234 . 1 1 21 21 THR HG22 H 1 1.2850 0.02 . 1 . . . . . 21 THR HG21 . 27098 1 235 . 1 1 21 21 THR HG23 H 1 1.2850 0.02 . 1 . . . . . 21 THR HG21 . 27098 1 236 . 1 1 21 21 THR C C 13 177.1210 0.3 . 1 . . . . . 21 THR C . 27098 1 237 . 1 1 21 21 THR CA C 13 66.9610 0.3 . 1 . . . . . 21 THR CA . 27098 1 238 . 1 1 21 21 THR CB C 13 69.0570 0.3 . 1 . . . . . 21 THR CB . 27098 1 239 . 1 1 21 21 THR CG2 C 13 21.7700 0.3 . 1 . . . . . 21 THR CG2 . 27098 1 240 . 1 1 21 21 THR N N 15 116.2030 0.2 . 1 . . . . . 21 THR N . 27098 1 241 . 1 1 22 22 GLN H H 1 7.6930 0.02 . 1 . . . . . 22 GLN H . 27098 1 242 . 1 1 22 22 GLN HA H 1 3.8490 0.02 . 1 . . . . . 22 GLN HA . 27098 1 243 . 1 1 22 22 GLN HB2 H 1 1.8470 0.02 . 2 . . . . . 22 GLN HB2 . 27098 1 244 . 1 1 22 22 GLN HB3 H 1 1.8470 0.02 . 2 . . . . . 22 GLN HB3 . 27098 1 245 . 1 1 22 22 GLN HG2 H 1 2.1970 0.02 . 2 . . . . . 22 GLN HG2 . 27098 1 246 . 1 1 22 22 GLN HG3 H 1 2.4350 0.02 . 2 . . . . . 22 GLN HG3 . 27098 1 247 . 1 1 22 22 GLN HE21 H 1 7.2060 0.02 . 1 . . . . . 22 GLN HE21 . 27098 1 248 . 1 1 22 22 GLN HE22 H 1 6.7820 0.02 . 1 . . . . . 22 GLN HE22 . 27098 1 249 . 1 1 22 22 GLN C C 13 177.8420 0.3 . 1 . . . . . 22 GLN C . 27098 1 250 . 1 1 22 22 GLN CA C 13 59.2470 0.3 . 1 . . . . . 22 GLN CA . 27098 1 251 . 1 1 22 22 GLN CB C 13 27.6010 0.3 . 1 . . . . . 22 GLN CB . 27098 1 252 . 1 1 22 22 GLN CG C 13 33.5120 0.3 . 1 . . . . . 22 GLN CG . 27098 1 253 . 1 1 22 22 GLN N N 15 121.3450 0.2 . 1 . . . . . 22 GLN N . 27098 1 254 . 1 1 22 22 GLN NE2 N 15 111.3000 0.2 . 1 . . . . . 22 GLN NE2 . 27098 1 255 . 1 1 23 23 PHE H H 1 7.6770 0.02 . 1 . . . . . 23 PHE H . 27098 1 256 . 1 1 23 23 PHE HA H 1 4.6530 0.02 . 1 . . . . . 23 PHE HA . 27098 1 257 . 1 1 23 23 PHE HB2 H 1 2.7980 0.02 . 2 . . . . . 23 PHE HB2 . 27098 1 258 . 1 1 23 23 PHE HB3 H 1 3.0190 0.02 . 2 . . . . . 23 PHE HB3 . 27098 1 259 . 1 1 23 23 PHE HD1 H 1 7.0470 0.02 . 3 . . . . . 23 PHE HD1 . 27098 1 260 . 1 1 23 23 PHE HD2 H 1 7.0470 0.02 . 3 . . . . . 23 PHE HD2 . 27098 1 261 . 1 1 23 23 PHE HE1 H 1 6.7650 0.02 . 3 . . . . . 23 PHE HE1 . 27098 1 262 . 1 1 23 23 PHE HE2 H 1 6.7650 0.02 . 3 . . . . . 23 PHE HE2 . 27098 1 263 . 1 1 23 23 PHE HZ H 1 6.7780 0.02 . 1 . . . . . 23 PHE HZ . 27098 1 264 . 1 1 23 23 PHE C C 13 177.7120 0.3 . 1 . . . . . 23 PHE C . 27098 1 265 . 1 1 23 23 PHE CA C 13 59.9160 0.3 . 1 . . . . . 23 PHE CA . 27098 1 266 . 1 1 23 23 PHE CB C 13 39.2450 0.3 . 1 . . . . . 23 PHE CB . 27098 1 267 . 1 1 23 23 PHE CD1 C 13 131.1000 0.3 . 3 . . . . . 23 PHE CD1 . 27098 1 268 . 1 1 23 23 PHE CD2 C 13 131.1000 0.3 . 3 . . . . . 23 PHE CD2 . 27098 1 269 . 1 1 23 23 PHE CE1 C 13 130.9300 0.3 . 3 . . . . . 23 PHE CE1 . 27098 1 270 . 1 1 23 23 PHE CE2 C 13 130.9300 0.3 . 3 . . . . . 23 PHE CE2 . 27098 1 271 . 1 1 23 23 PHE CZ C 13 129.0000 0.3 . 1 . . . . . 23 PHE CZ . 27098 1 272 . 1 1 23 23 PHE N N 15 114.9070 0.2 . 1 . . . . . 23 PHE N . 27098 1 273 . 1 1 24 24 ASN H H 1 8.6280 0.02 . 1 . . . . . 24 ASN H . 27098 1 274 . 1 1 24 24 ASN HA H 1 4.8790 0.02 . 1 . . . . . 24 ASN HA . 27098 1 275 . 1 1 24 24 ASN HB2 H 1 2.9780 0.02 . 2 . . . . . 24 ASN HB2 . 27098 1 276 . 1 1 24 24 ASN HB3 H 1 2.9780 0.02 . 2 . . . . . 24 ASN HB3 . 27098 1 277 . 1 1 24 24 ASN HD21 H 1 7.5690 0.02 . 1 . . . . . 24 ASN HD21 . 27098 1 278 . 1 1 24 24 ASN HD22 H 1 6.7600 0.02 . 1 . . . . . 24 ASN HD22 . 27098 1 279 . 1 1 24 24 ASN C C 13 176.2840 0.3 . 1 . . . . . 24 ASN C . 27098 1 280 . 1 1 24 24 ASN CA C 13 54.6270 0.3 . 1 . . . . . 24 ASN CA . 27098 1 281 . 1 1 24 24 ASN CB C 13 38.7370 0.3 . 1 . . . . . 24 ASN CB . 27098 1 282 . 1 1 24 24 ASN N N 15 116.0540 0.2 . 1 . . . . . 24 ASN N . 27098 1 283 . 1 1 24 24 ASN ND2 N 15 110.0500 0.2 . 1 . . . . . 24 ASN ND2 . 27098 1 284 . 1 1 25 25 THR H H 1 8.2070 0.02 . 1 . . . . . 25 THR H . 27098 1 285 . 1 1 25 25 THR HA H 1 4.4990 0.02 . 1 . . . . . 25 THR HA . 27098 1 286 . 1 1 25 25 THR HB H 1 4.4200 0.02 . 1 . . . . . 25 THR HB . 27098 1 287 . 1 1 25 25 THR HG21 H 1 1.2780 0.02 . 1 . . . . . 25 THR HG21 . 27098 1 288 . 1 1 25 25 THR HG22 H 1 1.2780 0.02 . 1 . . . . . 25 THR HG21 . 27098 1 289 . 1 1 25 25 THR HG23 H 1 1.2780 0.02 . 1 . . . . . 25 THR HG21 . 27098 1 290 . 1 1 25 25 THR C C 13 174.9390 0.3 . 1 . . . . . 25 THR C . 27098 1 291 . 1 1 25 25 THR CA C 13 63.9970 0.3 . 1 . . . . . 25 THR CA . 27098 1 292 . 1 1 25 25 THR CB C 13 69.6080 0.3 . 1 . . . . . 25 THR CB . 27098 1 293 . 1 1 25 25 THR CG2 C 13 21.8300 0.3 . 1 . . . . . 25 THR CG2 . 27098 1 294 . 1 1 25 25 THR N N 15 114.8660 0.2 . 1 . . . . . 25 THR N . 27098 1 295 . 1 1 26 26 GLU H H 1 7.6830 0.02 . 1 . . . . . 26 GLU H . 27098 1 296 . 1 1 26 26 GLU HA H 1 4.4390 0.02 . 1 . . . . . 26 GLU HA . 27098 1 297 . 1 1 26 26 GLU HB2 H 1 2.1730 0.02 . 2 . . . . . 26 GLU HB2 . 27098 1 298 . 1 1 26 26 GLU HB3 H 1 2.2870 0.02 . 2 . . . . . 26 GLU HB3 . 27098 1 299 . 1 1 26 26 GLU HG2 H 1 2.3010 0.02 . 2 . . . . . 26 GLU HG2 . 27098 1 300 . 1 1 26 26 GLU HG3 H 1 2.1350 0.02 . 2 . . . . . 26 GLU HG3 . 27098 1 301 . 1 1 26 26 GLU C C 13 176.4660 0.3 . 1 . . . . . 26 GLU C . 27098 1 302 . 1 1 26 26 GLU CA C 13 56.1950 0.3 . 1 . . . . . 26 GLU CA . 27098 1 303 . 1 1 26 26 GLU CB C 13 28.8800 0.3 . 1 . . . . . 26 GLU CB . 27098 1 304 . 1 1 26 26 GLU CG C 13 35.5000 0.3 . 1 . . . . . 26 GLU CG . 27098 1 305 . 1 1 26 26 GLU N N 15 118.3050 0.2 . 1 . . . . . 26 GLU N . 27098 1 306 . 1 1 27 27 ASN H H 1 7.6250 0.02 . 1 . . . . . 27 ASN H . 27098 1 307 . 1 1 27 27 ASN HA H 1 4.5380 0.02 . 1 . . . . . 27 ASN HA . 27098 1 308 . 1 1 27 27 ASN HB2 H 1 3.0600 0.02 . 2 . . . . . 27 ASN HB2 . 27098 1 309 . 1 1 27 27 ASN HB3 H 1 2.7400 0.02 . 2 . . . . . 27 ASN HB3 . 27098 1 310 . 1 1 27 27 ASN HD21 H 1 7.4990 0.02 . 1 . . . . . 27 ASN HD21 . 27098 1 311 . 1 1 27 27 ASN HD22 H 1 6.7930 0.02 . 1 . . . . . 27 ASN HD22 . 27098 1 312 . 1 1 27 27 ASN C C 13 174.5810 0.3 . 1 . . . . . 27 ASN C . 27098 1 313 . 1 1 27 27 ASN CA C 13 54.2330 0.3 . 1 . . . . . 27 ASN CA . 27098 1 314 . 1 1 27 27 ASN CB C 13 37.5680 0.3 . 1 . . . . . 27 ASN CB . 27098 1 315 . 1 1 27 27 ASN N N 15 114.2170 0.2 . 1 . . . . . 27 ASN N . 27098 1 316 . 1 1 27 27 ASN ND2 N 15 112.5500 0.2 . 1 . . . . . 27 ASN ND2 . 27098 1 317 . 1 1 28 28 ALA H H 1 8.0340 0.02 . 1 . . . . . 28 ALA H . 27098 1 318 . 1 1 28 28 ALA HA H 1 4.2060 0.02 . 1 . . . . . 28 ALA HA . 27098 1 319 . 1 1 28 28 ALA HB1 H 1 1.1410 0.02 . 1 . . . . . 28 ALA HB1 . 27098 1 320 . 1 1 28 28 ALA HB2 H 1 1.1410 0.02 . 1 . . . . . 28 ALA HB1 . 27098 1 321 . 1 1 28 28 ALA HB3 H 1 1.1410 0.02 . 1 . . . . . 28 ALA HB1 . 27098 1 322 . 1 1 28 28 ALA C C 13 177.5200 0.3 . 1 . . . . . 28 ALA C . 27098 1 323 . 1 1 28 28 ALA CA C 13 53.1890 0.3 . 1 . . . . . 28 ALA CA . 27098 1 324 . 1 1 28 28 ALA CB C 13 19.2500 0.3 . 1 . . . . . 28 ALA CB . 27098 1 325 . 1 1 28 28 ALA N N 15 121.1470 0.2 . 1 . . . . . 28 ALA N . 27098 1 326 . 1 1 29 29 LYS H H 1 8.5910 0.02 . 1 . . . . . 29 LYS H . 27098 1 327 . 1 1 29 29 LYS HA H 1 4.5340 0.02 . 1 . . . . . 29 LYS HA . 27098 1 328 . 1 1 29 29 LYS HB2 H 1 2.0180 0.02 . 2 . . . . . 29 LYS HB2 . 27098 1 329 . 1 1 29 29 LYS HB3 H 1 1.8670 0.02 . 2 . . . . . 29 LYS HB3 . 27098 1 330 . 1 1 29 29 LYS HG2 H 1 1.5650 0.02 . 2 . . . . . 29 LYS HG2 . 27098 1 331 . 1 1 29 29 LYS HG3 H 1 1.5650 0.02 . 2 . . . . . 29 LYS HG3 . 27098 1 332 . 1 1 29 29 LYS HD2 H 1 1.7700 0.02 . 2 . . . . . 29 LYS HD2 . 27098 1 333 . 1 1 29 29 LYS HD3 H 1 1.7400 0.02 . 2 . . . . . 29 LYS HD3 . 27098 1 334 . 1 1 29 29 LYS HE2 H 1 3.0460 0.02 . 2 . . . . . 29 LYS HE2 . 27098 1 335 . 1 1 29 29 LYS HE3 H 1 3.0460 0.02 . 2 . . . . . 29 LYS HE3 . 27098 1 336 . 1 1 29 29 LYS C C 13 175.8950 0.3 . 1 . . . . . 29 LYS C . 27098 1 337 . 1 1 29 29 LYS CA C 13 57.0880 0.3 . 1 . . . . . 29 LYS CA . 27098 1 338 . 1 1 29 29 LYS CB C 13 33.8700 0.3 . 1 . . . . . 29 LYS CB . 27098 1 339 . 1 1 29 29 LYS CG C 13 25.0900 0.3 . 1 . . . . . 29 LYS CG . 27098 1 340 . 1 1 29 29 LYS CD C 13 28.9300 0.3 . 1 . . . . . 29 LYS CD . 27098 1 341 . 1 1 29 29 LYS CE C 13 42.4000 0.3 . 1 . . . . . 29 LYS CE . 27098 1 342 . 1 1 29 29 LYS N N 15 120.2650 0.2 . 1 . . . . . 29 LYS N . 27098 1 343 . 1 1 30 30 GLU H H 1 7.6610 0.02 . 1 . . . . . 30 GLU H . 27098 1 344 . 1 1 30 30 GLU HA H 1 5.5580 0.02 . 1 . . . . . 30 GLU HA . 27098 1 345 . 1 1 30 30 GLU HB2 H 1 1.8800 0.02 . 2 . . . . . 30 GLU HB2 . 27098 1 346 . 1 1 30 30 GLU HB3 H 1 1.8800 0.02 . 2 . . . . . 30 GLU HB3 . 27098 1 347 . 1 1 30 30 GLU HG2 H 1 2.1760 0.02 . 2 . . . . . 30 GLU HG2 . 27098 1 348 . 1 1 30 30 GLU HG3 H 1 2.0830 0.02 . 2 . . . . . 30 GLU HG3 . 27098 1 349 . 1 1 30 30 GLU C C 13 175.2090 0.3 . 1 . . . . . 30 GLU C . 27098 1 350 . 1 1 30 30 GLU CA C 13 54.4510 0.3 . 1 . . . . . 30 GLU CA . 27098 1 351 . 1 1 30 30 GLU CB C 13 33.6080 0.3 . 1 . . . . . 30 GLU CB . 27098 1 352 . 1 1 30 30 GLU CG C 13 36.5900 0.3 . 1 . . . . . 30 GLU CG . 27098 1 353 . 1 1 30 30 GLU N N 15 116.6170 0.2 . 1 . . . . . 30 GLU N . 27098 1 354 . 1 1 31 31 VAL H H 1 8.6700 0.02 . 1 . . . . . 31 VAL H . 27098 1 355 . 1 1 31 31 VAL HA H 1 4.3380 0.02 . 1 . . . . . 31 VAL HA . 27098 1 356 . 1 1 31 31 VAL HB H 1 1.3490 0.02 . 1 . . . . . 31 VAL HB . 27098 1 357 . 1 1 31 31 VAL HG11 H 1 0.0200 0.02 . 2 . . . . . 31 VAL HG11 . 27098 1 358 . 1 1 31 31 VAL HG12 H 1 0.0200 0.02 . 2 . . . . . 31 VAL HG11 . 27098 1 359 . 1 1 31 31 VAL HG13 H 1 0.0200 0.02 . 2 . . . . . 31 VAL HG11 . 27098 1 360 . 1 1 31 31 VAL HG21 H 1 0.6370 0.02 . 2 . . . . . 31 VAL HG21 . 27098 1 361 . 1 1 31 31 VAL HG22 H 1 0.6370 0.02 . 2 . . . . . 31 VAL HG21 . 27098 1 362 . 1 1 31 31 VAL HG23 H 1 0.6370 0.02 . 2 . . . . . 31 VAL HG21 . 27098 1 363 . 1 1 31 31 VAL C C 13 173.7860 0.3 . 1 . . . . . 31 VAL C . 27098 1 364 . 1 1 31 31 VAL CA C 13 61.1130 0.3 . 1 . . . . . 31 VAL CA . 27098 1 365 . 1 1 31 31 VAL CB C 13 35.9520 0.3 . 1 . . . . . 31 VAL CB . 27098 1 366 . 1 1 31 31 VAL CG1 C 13 21.7300 0.3 . 2 . . . . . 31 VAL CG1 . 27098 1 367 . 1 1 31 31 VAL CG2 C 13 21.4600 0.3 . 2 . . . . . 31 VAL CG2 . 27098 1 368 . 1 1 31 31 VAL N N 15 121.8210 0.2 . 1 . . . . . 31 VAL N . 27098 1 369 . 1 1 32 32 ARG H H 1 8.5520 0.02 . 1 . . . . . 32 ARG H . 27098 1 370 . 1 1 32 32 ARG HA H 1 5.1320 0.02 . 1 . . . . . 32 ARG HA . 27098 1 371 . 1 1 32 32 ARG HB2 H 1 1.7790 0.02 . 2 . . . . . 32 ARG HB2 . 27098 1 372 . 1 1 32 32 ARG HB3 H 1 1.5150 0.02 . 2 . . . . . 32 ARG HB3 . 27098 1 373 . 1 1 32 32 ARG HG2 H 1 1.3570 0.02 . 2 . . . . . 32 ARG HG2 . 27098 1 374 . 1 1 32 32 ARG HG3 H 1 1.6180 0.02 . 2 . . . . . 32 ARG HG3 . 27098 1 375 . 1 1 32 32 ARG HD2 H 1 3.1810 0.02 . 2 . . . . . 32 ARG HD2 . 27098 1 376 . 1 1 32 32 ARG HD3 H 1 3.0600 0.02 . 2 . . . . . 32 ARG HD3 . 27098 1 377 . 1 1 32 32 ARG HE H 1 7.2320 0.02 . 1 . . . . . 32 ARG HE . 27098 1 378 . 1 1 32 32 ARG C C 13 174.2050 0.3 . 1 . . . . . 32 ARG C . 27098 1 379 . 1 1 32 32 ARG CA C 13 54.4820 0.3 . 1 . . . . . 32 ARG CA . 27098 1 380 . 1 1 32 32 ARG CB C 13 31.5880 0.3 . 1 . . . . . 32 ARG CB . 27098 1 381 . 1 1 32 32 ARG CG C 13 29.0800 0.3 . 1 . . . . . 32 ARG CG . 27098 1 382 . 1 1 32 32 ARG CD C 13 42.9700 0.3 . 1 . . . . . 32 ARG CD . 27098 1 383 . 1 1 32 32 ARG N N 15 125.5320 0.2 . 1 . . . . . 32 ARG N . 27098 1 384 . 1 1 32 32 ARG NE N 15 84.8900 0.2 . 1 . . . . . 32 ARG NE . 27098 1 385 . 1 1 33 33 ILE H H 1 9.2920 0.02 . 1 . . . . . 33 ILE H . 27098 1 386 . 1 1 33 33 ILE HA H 1 4.7680 0.02 . 1 . . . . . 33 ILE HA . 27098 1 387 . 1 1 33 33 ILE HB H 1 1.7040 0.02 . 1 . . . . . 33 ILE HB . 27098 1 388 . 1 1 33 33 ILE HG12 H 1 1.5690 0.02 . 2 . . . . . 33 ILE HG12 . 27098 1 389 . 1 1 33 33 ILE HG13 H 1 0.6610 0.02 . 2 . . . . . 33 ILE HG13 . 27098 1 390 . 1 1 33 33 ILE HG21 H 1 0.7340 0.02 . 1 . . . . . 33 ILE HG21 . 27098 1 391 . 1 1 33 33 ILE HG22 H 1 0.7340 0.02 . 1 . . . . . 33 ILE HG21 . 27098 1 392 . 1 1 33 33 ILE HG23 H 1 0.7340 0.02 . 1 . . . . . 33 ILE HG21 . 27098 1 393 . 1 1 33 33 ILE HD11 H 1 0.7450 0.02 . 1 . . . . . 33 ILE HD11 . 27098 1 394 . 1 1 33 33 ILE HD12 H 1 0.7450 0.02 . 1 . . . . . 33 ILE HD11 . 27098 1 395 . 1 1 33 33 ILE HD13 H 1 0.7450 0.02 . 1 . . . . . 33 ILE HD11 . 27098 1 396 . 1 1 33 33 ILE C C 13 175.1260 0.3 . 1 . . . . . 33 ILE C . 27098 1 397 . 1 1 33 33 ILE CA C 13 60.0710 0.3 . 1 . . . . . 33 ILE CA . 27098 1 398 . 1 1 33 33 ILE CB C 13 40.2420 0.3 . 1 . . . . . 33 ILE CB . 27098 1 399 . 1 1 33 33 ILE CG1 C 13 27.3800 0.3 . 1 . . . . . 33 ILE CG1 . 27098 1 400 . 1 1 33 33 ILE CG2 C 13 18.0400 0.3 . 1 . . . . . 33 ILE CG2 . 27098 1 401 . 1 1 33 33 ILE CD1 C 13 14.4800 0.3 . 1 . . . . . 33 ILE CD1 . 27098 1 402 . 1 1 33 33 ILE N N 15 124.6560 0.2 . 1 . . . . . 33 ILE N . 27098 1 403 . 1 1 34 34 LYS H H 1 8.4670 0.02 . 1 . . . . . 34 LYS H . 27098 1 404 . 1 1 34 34 LYS HA H 1 5.3670 0.02 . 1 . . . . . 34 LYS HA . 27098 1 405 . 1 1 34 34 LYS HB2 H 1 1.1030 0.02 . 2 . . . . . 34 LYS HB2 . 27098 1 406 . 1 1 34 34 LYS HB3 H 1 1.7560 0.02 . 2 . . . . . 34 LYS HB3 . 27098 1 407 . 1 1 34 34 LYS HG2 H 1 1.2530 0.02 . 2 . . . . . 34 LYS HG2 . 27098 1 408 . 1 1 34 34 LYS HG3 H 1 1.1800 0.02 . 2 . . . . . 34 LYS HG3 . 27098 1 409 . 1 1 34 34 LYS HD2 H 1 1.5380 0.02 . 2 . . . . . 34 LYS HD2 . 27098 1 410 . 1 1 34 34 LYS HD3 H 1 1.5380 0.02 . 2 . . . . . 34 LYS HD3 . 27098 1 411 . 1 1 34 34 LYS HE2 H 1 2.8910 0.02 . 2 . . . . . 34 LYS HE2 . 27098 1 412 . 1 1 34 34 LYS HE3 H 1 2.7740 0.02 . 2 . . . . . 34 LYS HE3 . 27098 1 413 . 1 1 34 34 LYS C C 13 174.2430 0.3 . 1 . . . . . 34 LYS C . 27098 1 414 . 1 1 34 34 LYS CA C 13 54.5950 0.3 . 1 . . . . . 34 LYS CA . 27098 1 415 . 1 1 34 34 LYS CB C 13 37.1400 0.3 . 1 . . . . . 34 LYS CB . 27098 1 416 . 1 1 34 34 LYS CG C 13 26.5800 0.3 . 1 . . . . . 34 LYS CG . 27098 1 417 . 1 1 34 34 LYS CD C 13 29.8200 0.3 . 1 . . . . . 34 LYS CD . 27098 1 418 . 1 1 34 34 LYS CE C 13 42.1300 0.3 . 1 . . . . . 34 LYS CE . 27098 1 419 . 1 1 34 34 LYS N N 15 126.2830 0.2 . 1 . . . . . 34 LYS N . 27098 1 420 . 1 1 35 35 ALA H H 1 8.2920 0.02 . 1 . . . . . 35 ALA H . 27098 1 421 . 1 1 35 35 ALA HA H 1 4.6660 0.02 . 1 . . . . . 35 ALA HA . 27098 1 422 . 1 1 35 35 ALA HB1 H 1 1.1400 0.02 . 1 . . . . . 35 ALA HB1 . 27098 1 423 . 1 1 35 35 ALA HB2 H 1 1.1400 0.02 . 1 . . . . . 35 ALA HB1 . 27098 1 424 . 1 1 35 35 ALA HB3 H 1 1.1400 0.02 . 1 . . . . . 35 ALA HB1 . 27098 1 425 . 1 1 35 35 ALA C C 13 174.8980 0.3 . 1 . . . . . 35 ALA C . 27098 1 426 . 1 1 35 35 ALA CA C 13 51.0130 0.3 . 1 . . . . . 35 ALA CA . 27098 1 427 . 1 1 35 35 ALA CB C 13 25.4250 0.3 . 1 . . . . . 35 ALA CB . 27098 1 428 . 1 1 35 35 ALA N N 15 120.2820 0.2 . 1 . . . . . 35 ALA N . 27098 1 429 . 1 1 36 36 ARG H H 1 8.6380 0.02 . 1 . . . . . 36 ARG H . 27098 1 430 . 1 1 36 36 ARG HA H 1 5.3300 0.02 . 1 . . . . . 36 ARG HA . 27098 1 431 . 1 1 36 36 ARG HB2 H 1 1.7750 0.02 . 2 . . . . . 36 ARG HB2 . 27098 1 432 . 1 1 36 36 ARG HB3 H 1 1.7750 0.02 . 2 . . . . . 36 ARG HB3 . 27098 1 433 . 1 1 36 36 ARG HG2 H 1 1.6180 0.02 . 2 . . . . . 36 ARG HG2 . 27098 1 434 . 1 1 36 36 ARG HG3 H 1 1.6180 0.02 . 2 . . . . . 36 ARG HG3 . 27098 1 435 . 1 1 36 36 ARG HD2 H 1 3.1250 0.02 . 2 . . . . . 36 ARG HD2 . 27098 1 436 . 1 1 36 36 ARG HD3 H 1 3.1250 0.02 . 2 . . . . . 36 ARG HD3 . 27098 1 437 . 1 1 36 36 ARG HE H 1 7.4290 0.02 . 1 . . . . . 36 ARG HE . 27098 1 438 . 1 1 36 36 ARG C C 13 176.8260 0.3 . 1 . . . . . 36 ARG C . 27098 1 439 . 1 1 36 36 ARG CA C 13 53.9800 0.3 . 1 . . . . . 36 ARG CA . 27098 1 440 . 1 1 36 36 ARG CB C 13 34.1740 0.3 . 1 . . . . . 36 ARG CB . 27098 1 441 . 1 1 36 36 ARG CG C 13 26.5500 0.3 . 1 . . . . . 36 ARG CG . 27098 1 442 . 1 1 36 36 ARG CD C 13 44.5600 0.3 . 1 . . . . . 36 ARG CD . 27098 1 443 . 1 1 36 36 ARG N N 15 116.6850 0.2 . 1 . . . . . 36 ARG N . 27098 1 444 . 1 1 36 36 ARG NE N 15 83.8400 0.2 . 1 . . . . . 36 ARG NE . 27098 1 445 . 1 1 37 37 GLY H H 1 9.2220 0.02 . 1 . . . . . 37 GLY H . 27098 1 446 . 1 1 37 37 GLY HA2 H 1 4.0180 0.02 . 2 . . . . . 37 GLY HA2 . 27098 1 447 . 1 1 37 37 GLY HA3 H 1 4.0180 0.02 . 2 . . . . . 37 GLY HA3 . 27098 1 448 . 1 1 37 37 GLY C C 13 175.9350 0.3 . 1 . . . . . 37 GLY C . 27098 1 449 . 1 1 37 37 GLY CA C 13 46.5700 0.3 . 1 . . . . . 37 GLY CA . 27098 1 450 . 1 1 37 37 GLY N N 15 110.0130 0.2 . 1 . . . . . 37 GLY N . 27098 1 451 . 1 1 38 38 LYS HA H 1 4.1280 0.02 . 1 . . . . . 38 LYS HA . 27098 1 452 . 1 1 38 38 LYS HB2 H 1 2.0050 0.02 . 2 . . . . . 38 LYS HB2 . 27098 1 453 . 1 1 38 38 LYS HB3 H 1 1.9460 0.02 . 2 . . . . . 38 LYS HB3 . 27098 1 454 . 1 1 38 38 LYS HG2 H 1 1.6350 0.02 . 2 . . . . . 38 LYS HG2 . 27098 1 455 . 1 1 38 38 LYS HG3 H 1 1.6010 0.02 . 2 . . . . . 38 LYS HG3 . 27098 1 456 . 1 1 38 38 LYS HD2 H 1 1.8000 0.02 . 2 . . . . . 38 LYS HD2 . 27098 1 457 . 1 1 38 38 LYS HD3 H 1 1.8000 0.02 . 2 . . . . . 38 LYS HD3 . 27098 1 458 . 1 1 38 38 LYS HE2 H 1 3.1000 0.02 . 2 . . . . . 38 LYS HE2 . 27098 1 459 . 1 1 38 38 LYS HE3 H 1 3.1000 0.02 . 2 . . . . . 38 LYS HE3 . 27098 1 460 . 1 1 38 38 LYS C C 13 178.2170 0.3 . 1 . . . . . 38 LYS C . 27098 1 461 . 1 1 38 38 LYS CA C 13 58.7590 0.3 . 1 . . . . . 38 LYS CA . 27098 1 462 . 1 1 38 38 LYS CB C 13 31.9670 0.3 . 1 . . . . . 38 LYS CB . 27098 1 463 . 1 1 38 38 LYS CG C 13 25.3400 0.3 . 1 . . . . . 38 LYS CG . 27098 1 464 . 1 1 38 38 LYS CD C 13 29.3200 0.3 . 1 . . . . . 38 LYS CD . 27098 1 465 . 1 1 38 38 LYS CE C 13 42.3000 0.3 . 1 . . . . . 38 LYS CE . 27098 1 466 . 1 1 39 39 ALA H H 1 7.7690 0.02 . 1 . . . . . 39 ALA H . 27098 1 467 . 1 1 39 39 ALA HA H 1 4.2540 0.02 . 1 . . . . . 39 ALA HA . 27098 1 468 . 1 1 39 39 ALA HB1 H 1 1.6240 0.02 . 1 . . . . . 39 ALA HB1 . 27098 1 469 . 1 1 39 39 ALA HB2 H 1 1.6240 0.02 . 1 . . . . . 39 ALA HB1 . 27098 1 470 . 1 1 39 39 ALA HB3 H 1 1.6240 0.02 . 1 . . . . . 39 ALA HB1 . 27098 1 471 . 1 1 39 39 ALA C C 13 177.5060 0.3 . 1 . . . . . 39 ALA C . 27098 1 472 . 1 1 39 39 ALA CA C 13 53.5220 0.3 . 1 . . . . . 39 ALA CA . 27098 1 473 . 1 1 39 39 ALA CB C 13 18.7170 0.3 . 1 . . . . . 39 ALA CB . 27098 1 474 . 1 1 39 39 ALA N N 15 119.9100 0.2 . 1 . . . . . 39 ALA N . 27098 1 475 . 1 1 40 40 ILE H H 1 8.0520 0.02 . 1 . . . . . 40 ILE H . 27098 1 476 . 1 1 40 40 ILE HA H 1 3.2480 0.02 . 1 . . . . . 40 ILE HA . 27098 1 477 . 1 1 40 40 ILE HB H 1 1.6210 0.02 . 1 . . . . . 40 ILE HB . 27098 1 478 . 1 1 40 40 ILE HG12 H 1 1.6320 0.02 . 2 . . . . . 40 ILE HG12 . 27098 1 479 . 1 1 40 40 ILE HG13 H 1 0.6460 0.02 . 2 . . . . . 40 ILE HG13 . 27098 1 480 . 1 1 40 40 ILE HG21 H 1 0.6600 0.02 . 1 . . . . . 40 ILE HG21 . 27098 1 481 . 1 1 40 40 ILE HG22 H 1 0.6600 0.02 . 1 . . . . . 40 ILE HG21 . 27098 1 482 . 1 1 40 40 ILE HG23 H 1 0.6600 0.02 . 1 . . . . . 40 ILE HG21 . 27098 1 483 . 1 1 40 40 ILE HD11 H 1 0.7140 0.02 . 1 . . . . . 40 ILE HD11 . 27098 1 484 . 1 1 40 40 ILE HD12 H 1 0.7140 0.02 . 1 . . . . . 40 ILE HD11 . 27098 1 485 . 1 1 40 40 ILE HD13 H 1 0.7140 0.02 . 1 . . . . . 40 ILE HD11 . 27098 1 486 . 1 1 40 40 ILE C C 13 177.4220 0.3 . 1 . . . . . 40 ILE C . 27098 1 487 . 1 1 40 40 ILE CA C 13 66.5140 0.3 . 1 . . . . . 40 ILE CA . 27098 1 488 . 1 1 40 40 ILE CB C 13 37.5690 0.3 . 1 . . . . . 40 ILE CB . 27098 1 489 . 1 1 40 40 ILE CG1 C 13 29.7200 0.3 . 1 . . . . . 40 ILE CG1 . 27098 1 490 . 1 1 40 40 ILE CG2 C 13 16.5100 0.3 . 1 . . . . . 40 ILE CG2 . 27098 1 491 . 1 1 40 40 ILE CD1 C 13 13.6700 0.3 . 1 . . . . . 40 ILE CD1 . 27098 1 492 . 1 1 40 40 ILE N N 15 120.4220 0.2 . 1 . . . . . 40 ILE N . 27098 1 493 . 1 1 41 41 SER H H 1 7.2490 0.02 . 1 . . . . . 41 SER H . 27098 1 494 . 1 1 41 41 SER HA H 1 3.7670 0.02 . 1 . . . . . 41 SER HA . 27098 1 495 . 1 1 41 41 SER HB2 H 1 3.9360 0.02 . 2 . . . . . 41 SER HB2 . 27098 1 496 . 1 1 41 41 SER HB3 H 1 3.9360 0.02 . 2 . . . . . 41 SER HB3 . 27098 1 497 . 1 1 41 41 SER C C 13 174.7490 0.3 . 1 . . . . . 41 SER C . 27098 1 498 . 1 1 41 41 SER CA C 13 62.1900 0.3 . 1 . . . . . 41 SER CA . 27098 1 499 . 1 1 41 41 SER CB C 13 62.6300 0.3 . 1 . . . . . 41 SER CB . 27098 1 500 . 1 1 41 41 SER N N 15 111.5230 0.2 . 1 . . . . . 41 SER N . 27098 1 501 . 1 1 42 42 ARG H H 1 6.6790 0.02 . 1 . . . . . 42 ARG H . 27098 1 502 . 1 1 42 42 ARG HA H 1 4.2670 0.02 . 1 . . . . . 42 ARG HA . 27098 1 503 . 1 1 42 42 ARG HB2 H 1 1.8500 0.02 . 2 . . . . . 42 ARG HB2 . 27098 1 504 . 1 1 42 42 ARG HB3 H 1 1.9990 0.02 . 2 . . . . . 42 ARG HB3 . 27098 1 505 . 1 1 42 42 ARG HG2 H 1 1.6690 0.02 . 2 . . . . . 42 ARG HG2 . 27098 1 506 . 1 1 42 42 ARG HG3 H 1 1.8140 0.02 . 2 . . . . . 42 ARG HG3 . 27098 1 507 . 1 1 42 42 ARG HD2 H 1 3.5210 0.02 . 2 . . . . . 42 ARG HD2 . 27098 1 508 . 1 1 42 42 ARG HD3 H 1 3.3640 0.02 . 2 . . . . . 42 ARG HD3 . 27098 1 509 . 1 1 42 42 ARG HE H 1 7.4810 0.02 . 1 . . . . . 42 ARG HE . 27098 1 510 . 1 1 42 42 ARG C C 13 177.8010 0.3 . 1 . . . . . 42 ARG C . 27098 1 511 . 1 1 42 42 ARG CA C 13 58.2120 0.3 . 1 . . . . . 42 ARG CA . 27098 1 512 . 1 1 42 42 ARG CB C 13 29.2200 0.3 . 1 . . . . . 42 ARG CB . 27098 1 513 . 1 1 42 42 ARG CG C 13 28.1200 0.3 . 1 . . . . . 42 ARG CG . 27098 1 514 . 1 1 42 42 ARG CD C 13 43.2600 0.3 . 1 . . . . . 42 ARG CD . 27098 1 515 . 1 1 42 42 ARG N N 15 121.6100 0.2 . 1 . . . . . 42 ARG N . 27098 1 516 . 1 1 42 42 ARG NE N 15 84.3000 0.2 . 1 . . . . . 42 ARG NE . 27098 1 517 . 1 1 43 43 ALA H H 1 8.0760 0.02 . 1 . . . . . 43 ALA H . 27098 1 518 . 1 1 43 43 ALA HA H 1 3.7280 0.02 . 1 . . . . . 43 ALA HA . 27098 1 519 . 1 1 43 43 ALA HB1 H 1 1.2240 0.02 . 1 . . . . . 43 ALA HB1 . 27098 1 520 . 1 1 43 43 ALA HB2 H 1 1.2240 0.02 . 1 . . . . . 43 ALA HB1 . 27098 1 521 . 1 1 43 43 ALA HB3 H 1 1.2240 0.02 . 1 . . . . . 43 ALA HB1 . 27098 1 522 . 1 1 43 43 ALA C C 13 178.7050 0.3 . 1 . . . . . 43 ALA C . 27098 1 523 . 1 1 43 43 ALA CA C 13 55.6320 0.3 . 1 . . . . . 43 ALA CA . 27098 1 524 . 1 1 43 43 ALA CB C 13 17.6560 0.3 . 1 . . . . . 43 ALA CB . 27098 1 525 . 1 1 43 43 ALA N N 15 121.2160 0.2 . 1 . . . . . 43 ALA N . 27098 1 526 . 1 1 44 44 VAL H H 1 7.3780 0.02 . 1 . . . . . 44 VAL H . 27098 1 527 . 1 1 44 44 VAL HA H 1 3.5910 0.02 . 1 . . . . . 44 VAL HA . 27098 1 528 . 1 1 44 44 VAL HB H 1 2.2410 0.02 . 1 . . . . . 44 VAL HB . 27098 1 529 . 1 1 44 44 VAL HG11 H 1 0.9780 0.02 . 2 . . . . . 44 VAL HG11 . 27098 1 530 . 1 1 44 44 VAL HG12 H 1 0.9780 0.02 . 2 . . . . . 44 VAL HG11 . 27098 1 531 . 1 1 44 44 VAL HG13 H 1 0.9780 0.02 . 2 . . . . . 44 VAL HG11 . 27098 1 532 . 1 1 44 44 VAL HG21 H 1 1.2050 0.02 . 2 . . . . . 44 VAL HG21 . 27098 1 533 . 1 1 44 44 VAL HG22 H 1 1.2050 0.02 . 2 . . . . . 44 VAL HG21 . 27098 1 534 . 1 1 44 44 VAL HG23 H 1 1.2050 0.02 . 2 . . . . . 44 VAL HG21 . 27098 1 535 . 1 1 44 44 VAL C C 13 176.7280 0.3 . 1 . . . . . 44 VAL C . 27098 1 536 . 1 1 44 44 VAL CA C 13 67.3030 0.3 . 1 . . . . . 44 VAL CA . 27098 1 537 . 1 1 44 44 VAL CB C 13 30.5950 0.3 . 1 . . . . . 44 VAL CB . 27098 1 538 . 1 1 44 44 VAL CG1 C 13 23.2700 0.3 . 2 . . . . . 44 VAL CG1 . 27098 1 539 . 1 1 44 44 VAL CG2 C 13 22.9600 0.3 . 2 . . . . . 44 VAL CG2 . 27098 1 540 . 1 1 44 44 VAL N N 15 117.2080 0.2 . 1 . . . . . 44 VAL N . 27098 1 541 . 1 1 45 45 ASP H H 1 7.8840 0.02 . 1 . . . . . 45 ASP H . 27098 1 542 . 1 1 45 45 ASP HA H 1 4.1590 0.02 . 1 . . . . . 45 ASP HA . 27098 1 543 . 1 1 45 45 ASP HB2 H 1 2.6870 0.02 . 2 . . . . . 45 ASP HB2 . 27098 1 544 . 1 1 45 45 ASP HB3 H 1 3.1850 0.02 . 2 . . . . . 45 ASP HB3 . 27098 1 545 . 1 1 45 45 ASP C C 13 179.2770 0.3 . 1 . . . . . 45 ASP C . 27098 1 546 . 1 1 45 45 ASP CA C 13 58.1540 0.3 . 1 . . . . . 45 ASP CA . 27098 1 547 . 1 1 45 45 ASP CB C 13 40.5750 0.3 . 1 . . . . . 45 ASP CB . 27098 1 548 . 1 1 45 45 ASP N N 15 120.3350 0.2 . 1 . . . . . 45 ASP N . 27098 1 549 . 1 1 46 46 VAL H H 1 8.3390 0.02 . 1 . . . . . 46 VAL H . 27098 1 550 . 1 1 46 46 VAL HA H 1 3.4760 0.02 . 1 . . . . . 46 VAL HA . 27098 1 551 . 1 1 46 46 VAL HB H 1 2.3740 0.02 . 1 . . . . . 46 VAL HB . 27098 1 552 . 1 1 46 46 VAL HG11 H 1 0.7740 0.02 . 2 . . . . . 46 VAL HG11 . 27098 1 553 . 1 1 46 46 VAL HG12 H 1 0.7740 0.02 . 2 . . . . . 46 VAL HG11 . 27098 1 554 . 1 1 46 46 VAL HG13 H 1 0.7740 0.02 . 2 . . . . . 46 VAL HG11 . 27098 1 555 . 1 1 46 46 VAL HG21 H 1 1.3370 0.02 . 2 . . . . . 46 VAL HG21 . 27098 1 556 . 1 1 46 46 VAL HG22 H 1 1.3370 0.02 . 2 . . . . . 46 VAL HG21 . 27098 1 557 . 1 1 46 46 VAL HG23 H 1 1.3370 0.02 . 2 . . . . . 46 VAL HG21 . 27098 1 558 . 1 1 46 46 VAL C C 13 176.7510 0.3 . 1 . . . . . 46 VAL C . 27098 1 559 . 1 1 46 46 VAL CA C 13 66.1080 0.3 . 1 . . . . . 46 VAL CA . 27098 1 560 . 1 1 46 46 VAL CB C 13 31.6790 0.3 . 1 . . . . . 46 VAL CB . 27098 1 561 . 1 1 46 46 VAL CG1 C 13 20.8400 0.3 . 2 . . . . . 46 VAL CG1 . 27098 1 562 . 1 1 46 46 VAL CG2 C 13 24.7700 0.3 . 2 . . . . . 46 VAL CG2 . 27098 1 563 . 1 1 46 46 VAL N N 15 118.8140 0.2 . 1 . . . . . 46 VAL N . 27098 1 564 . 1 1 47 47 GLU H H 1 8.1550 0.02 . 1 . . . . . 47 GLU H . 27098 1 565 . 1 1 47 47 GLU HA H 1 3.5810 0.02 . 1 . . . . . 47 GLU HA . 27098 1 566 . 1 1 47 47 GLU HB2 H 1 2.8700 0.02 . 2 . . . . . 47 GLU HB2 . 27098 1 567 . 1 1 47 47 GLU HB3 H 1 1.8430 0.02 . 2 . . . . . 47 GLU HB3 . 27098 1 568 . 1 1 47 47 GLU HG2 H 1 2.4240 0.02 . 2 . . . . . 47 GLU HG2 . 27098 1 569 . 1 1 47 47 GLU HG3 H 1 2.1500 0.02 . 2 . . . . . 47 GLU HG3 . 27098 1 570 . 1 1 47 47 GLU C C 13 177.2320 0.3 . 1 . . . . . 47 GLU C . 27098 1 571 . 1 1 47 47 GLU CA C 13 61.3020 0.3 . 1 . . . . . 47 GLU CA . 27098 1 572 . 1 1 47 47 GLU CB C 13 27.5140 0.3 . 1 . . . . . 47 GLU CB . 27098 1 573 . 1 1 47 47 GLU CG C 13 35.2300 0.3 . 1 . . . . . 47 GLU CG . 27098 1 574 . 1 1 47 47 GLU N N 15 120.0860 0.2 . 1 . . . . . 47 GLU N . 27098 1 575 . 1 1 48 48 GLU H H 1 9.0210 0.02 . 1 . . . . . 48 GLU H . 27098 1 576 . 1 1 48 48 GLU HA H 1 3.6680 0.02 . 1 . . . . . 48 GLU HA . 27098 1 577 . 1 1 48 48 GLU HB2 H 1 2.0530 0.02 . 2 . . . . . 48 GLU HB2 . 27098 1 578 . 1 1 48 48 GLU HB3 H 1 1.8860 0.02 . 2 . . . . . 48 GLU HB3 . 27098 1 579 . 1 1 48 48 GLU HG2 H 1 2.4440 0.02 . 2 . . . . . 48 GLU HG2 . 27098 1 580 . 1 1 48 48 GLU HG3 H 1 2.3530 0.02 . 2 . . . . . 48 GLU HG3 . 27098 1 581 . 1 1 48 48 GLU C C 13 179.0950 0.3 . 1 . . . . . 48 GLU C . 27098 1 582 . 1 1 48 48 GLU CA C 13 58.5700 0.3 . 1 . . . . . 48 GLU CA . 27098 1 583 . 1 1 48 48 GLU CB C 13 30.7250 0.3 . 1 . . . . . 48 GLU CB . 27098 1 584 . 1 1 48 48 GLU CG C 13 35.4700 0.3 . 1 . . . . . 48 GLU CG . 27098 1 585 . 1 1 48 48 GLU N N 15 119.2120 0.2 . 1 . . . . . 48 GLU N . 27098 1 586 . 1 1 49 49 MET H H 1 8.1530 0.02 . 1 . . . . . 49 MET H . 27098 1 587 . 1 1 49 49 MET HA H 1 4.2210 0.02 . 1 . . . . . 49 MET HA . 27098 1 588 . 1 1 49 49 MET HB2 H 1 2.0170 0.02 . 2 . . . . . 49 MET HB2 . 27098 1 589 . 1 1 49 49 MET HB3 H 1 2.2210 0.02 . 2 . . . . . 49 MET HB3 . 27098 1 590 . 1 1 49 49 MET HG2 H 1 2.7290 0.02 . 2 . . . . . 49 MET HG2 . 27098 1 591 . 1 1 49 49 MET HG3 H 1 2.5150 0.02 . 2 . . . . . 49 MET HG3 . 27098 1 592 . 1 1 49 49 MET HE1 H 1 2.0890 0.02 . 1 . . . . . 49 MET HE1 . 27098 1 593 . 1 1 49 49 MET HE2 H 1 2.0890 0.02 . 1 . . . . . 49 MET HE1 . 27098 1 594 . 1 1 49 49 MET HE3 H 1 2.0890 0.02 . 1 . . . . . 49 MET HE1 . 27098 1 595 . 1 1 49 49 MET C C 13 179.2720 0.3 . 1 . . . . . 49 MET C . 27098 1 596 . 1 1 49 49 MET CA C 13 59.1690 0.3 . 1 . . . . . 49 MET CA . 27098 1 597 . 1 1 49 49 MET CB C 13 32.4290 0.3 . 1 . . . . . 49 MET CB . 27098 1 598 . 1 1 49 49 MET CG C 13 32.9300 0.3 . 1 . . . . . 49 MET CG . 27098 1 599 . 1 1 49 49 MET CE C 13 17.1000 0.3 . 1 . . . . . 49 MET CE . 27098 1 600 . 1 1 49 49 MET N N 15 120.4660 0.2 . 1 . . . . . 49 MET N . 27098 1 601 . 1 1 50 50 VAL H H 1 8.4240 0.02 . 1 . . . . . 50 VAL H . 27098 1 602 . 1 1 50 50 VAL HA H 1 3.6320 0.02 . 1 . . . . . 50 VAL HA . 27098 1 603 . 1 1 50 50 VAL HB H 1 2.3090 0.02 . 1 . . . . . 50 VAL HB . 27098 1 604 . 1 1 50 50 VAL HG11 H 1 0.9960 0.02 . 2 . . . . . 50 VAL HG11 . 27098 1 605 . 1 1 50 50 VAL HG12 H 1 0.9960 0.02 . 2 . . . . . 50 VAL HG11 . 27098 1 606 . 1 1 50 50 VAL HG13 H 1 0.9960 0.02 . 2 . . . . . 50 VAL HG11 . 27098 1 607 . 1 1 50 50 VAL HG21 H 1 1.1600 0.02 . 2 . . . . . 50 VAL HG21 . 27098 1 608 . 1 1 50 50 VAL HG22 H 1 1.1600 0.02 . 2 . . . . . 50 VAL HG21 . 27098 1 609 . 1 1 50 50 VAL HG23 H 1 1.1600 0.02 . 2 . . . . . 50 VAL HG21 . 27098 1 610 . 1 1 50 50 VAL C C 13 177.4060 0.3 . 1 . . . . . 50 VAL C . 27098 1 611 . 1 1 50 50 VAL CA C 13 67.1300 0.3 . 1 . . . . . 50 VAL CA . 27098 1 612 . 1 1 50 50 VAL CB C 13 31.6080 0.3 . 1 . . . . . 50 VAL CB . 27098 1 613 . 1 1 50 50 VAL CG1 C 13 21.7800 0.3 . 2 . . . . . 50 VAL CG1 . 27098 1 614 . 1 1 50 50 VAL CG2 C 13 24.3000 0.3 . 2 . . . . . 50 VAL CG2 . 27098 1 615 . 1 1 50 50 VAL N N 15 119.1050 0.2 . 1 . . . . . 50 VAL N . 27098 1 616 . 1 1 51 51 ARG H H 1 8.5220 0.02 . 1 . . . . . 51 ARG H . 27098 1 617 . 1 1 51 51 ARG HA H 1 3.8890 0.02 . 1 . . . . . 51 ARG HA . 27098 1 618 . 1 1 51 51 ARG HB2 H 1 1.8070 0.02 . 2 . . . . . 51 ARG HB2 . 27098 1 619 . 1 1 51 51 ARG HB3 H 1 1.8070 0.02 . 2 . . . . . 51 ARG HB3 . 27098 1 620 . 1 1 51 51 ARG HG2 H 1 1.4700 0.02 . 2 . . . . . 51 ARG HG2 . 27098 1 621 . 1 1 51 51 ARG HG3 H 1 1.6990 0.02 . 2 . . . . . 51 ARG HG3 . 27098 1 622 . 1 1 51 51 ARG HD2 H 1 3.4080 0.02 . 2 . . . . . 51 ARG HD2 . 27098 1 623 . 1 1 51 51 ARG HD3 H 1 3.1460 0.02 . 2 . . . . . 51 ARG HD3 . 27098 1 624 . 1 1 51 51 ARG HE H 1 7.3700 0.02 . 1 . . . . . 51 ARG HE . 27098 1 625 . 1 1 51 51 ARG C C 13 178.0320 0.3 . 1 . . . . . 51 ARG C . 27098 1 626 . 1 1 51 51 ARG CA C 13 60.4400 0.3 . 1 . . . . . 51 ARG CA . 27098 1 627 . 1 1 51 51 ARG CB C 13 30.6000 0.3 . 1 . . . . . 51 ARG CB . 27098 1 628 . 1 1 51 51 ARG CG C 13 28.0100 0.3 . 1 . . . . . 51 ARG CG . 27098 1 629 . 1 1 51 51 ARG CD C 13 43.8700 0.3 . 1 . . . . . 51 ARG CD . 27098 1 630 . 1 1 51 51 ARG N N 15 119.2140 0.2 . 1 . . . . . 51 ARG N . 27098 1 631 . 1 1 51 51 ARG NE N 15 83.2400 0.2 . 1 . . . . . 51 ARG NE . 27098 1 632 . 1 1 52 52 ASN H H 1 7.8920 0.02 . 1 . . . . . 52 ASN H . 27098 1 633 . 1 1 52 52 ASN HA H 1 4.5110 0.02 . 1 . . . . . 52 ASN HA . 27098 1 634 . 1 1 52 52 ASN HB2 H 1 2.7150 0.02 . 2 . . . . . 52 ASN HB2 . 27098 1 635 . 1 1 52 52 ASN HB3 H 1 2.8630 0.02 . 2 . . . . . 52 ASN HB3 . 27098 1 636 . 1 1 52 52 ASN HD21 H 1 7.5450 0.02 . 1 . . . . . 52 ASN HD21 . 27098 1 637 . 1 1 52 52 ASN HD22 H 1 6.6450 0.02 . 1 . . . . . 52 ASN HD22 . 27098 1 638 . 1 1 52 52 ASN C C 13 176.6420 0.3 . 1 . . . . . 52 ASN C . 27098 1 639 . 1 1 52 52 ASN CA C 13 56.0630 0.3 . 1 . . . . . 52 ASN CA . 27098 1 640 . 1 1 52 52 ASN CB C 13 39.1490 0.3 . 1 . . . . . 52 ASN CB . 27098 1 641 . 1 1 52 52 ASN N N 15 113.8460 0.2 . 1 . . . . . 52 ASN N . 27098 1 642 . 1 1 52 52 ASN ND2 N 15 112.5200 0.2 . 1 . . . . . 52 ASN ND2 . 27098 1 643 . 1 1 53 53 ARG H H 1 7.6650 0.02 . 1 . . . . . 53 ARG H . 27098 1 644 . 1 1 53 53 ARG HA H 1 4.2010 0.02 . 1 . . . . . 53 ARG HA . 27098 1 645 . 1 1 53 53 ARG HB2 H 1 1.6200 0.02 . 2 . . . . . 53 ARG HB2 . 27098 1 646 . 1 1 53 53 ARG HB3 H 1 1.7610 0.02 . 2 . . . . . 53 ARG HB3 . 27098 1 647 . 1 1 53 53 ARG HG2 H 1 1.4420 0.02 . 2 . . . . . 53 ARG HG2 . 27098 1 648 . 1 1 53 53 ARG HG3 H 1 1.3380 0.02 . 2 . . . . . 53 ARG HG3 . 27098 1 649 . 1 1 53 53 ARG HD2 H 1 3.0190 0.02 . 2 . . . . . 53 ARG HD2 . 27098 1 650 . 1 1 53 53 ARG HD3 H 1 2.9820 0.02 . 2 . . . . . 53 ARG HD3 . 27098 1 651 . 1 1 53 53 ARG HE H 1 7.1140 0.02 . 1 . . . . . 53 ARG HE . 27098 1 652 . 1 1 53 53 ARG C C 13 176.7370 0.3 . 1 . . . . . 53 ARG C . 27098 1 653 . 1 1 53 53 ARG CA C 13 57.4000 0.3 . 1 . . . . . 53 ARG CA . 27098 1 654 . 1 1 53 53 ARG CB C 13 30.6000 0.3 . 1 . . . . . 53 ARG CB . 27098 1 655 . 1 1 53 53 ARG CG C 13 27.1000 0.3 . 1 . . . . . 53 ARG CG . 27098 1 656 . 1 1 53 53 ARG CD C 13 43.2800 0.3 . 1 . . . . . 53 ARG CD . 27098 1 657 . 1 1 53 53 ARG N N 15 117.6630 0.2 . 1 . . . . . 53 ARG N . 27098 1 658 . 1 1 53 53 ARG NE N 15 84.7200 0.2 . 1 . . . . . 53 ARG NE . 27098 1 659 . 1 1 54 54 PHE H H 1 7.8740 0.02 . 1 . . . . . 54 PHE H . 27098 1 660 . 1 1 54 54 PHE HA H 1 4.7080 0.02 . 1 . . . . . 54 PHE HA . 27098 1 661 . 1 1 54 54 PHE HB2 H 1 2.8100 0.02 . 2 . . . . . 54 PHE HB2 . 27098 1 662 . 1 1 54 54 PHE HB3 H 1 3.2100 0.02 . 2 . . . . . 54 PHE HB3 . 27098 1 663 . 1 1 54 54 PHE HD1 H 1 7.4000 0.02 . 3 . . . . . 54 PHE HD1 . 27098 1 664 . 1 1 54 54 PHE HD2 H 1 7.4000 0.02 . 3 . . . . . 54 PHE HD2 . 27098 1 665 . 1 1 54 54 PHE HE1 H 1 7.2900 0.02 . 3 . . . . . 54 PHE HE1 . 27098 1 666 . 1 1 54 54 PHE HE2 H 1 7.2900 0.02 . 3 . . . . . 54 PHE HE2 . 27098 1 667 . 1 1 54 54 PHE HZ H 1 7.2900 0.02 . 1 . . . . . 54 PHE HZ . 27098 1 668 . 1 1 54 54 PHE C C 13 175.9770 0.3 . 1 . . . . . 54 PHE C . 27098 1 669 . 1 1 54 54 PHE CA C 13 57.8150 0.3 . 1 . . . . . 54 PHE CA . 27098 1 670 . 1 1 54 54 PHE CB C 13 39.5710 0.3 . 1 . . . . . 54 PHE CB . 27098 1 671 . 1 1 54 54 PHE CD1 C 13 132.2800 0.3 . 3 . . . . . 54 PHE CD1 . 27098 1 672 . 1 1 54 54 PHE CD2 C 13 132.2800 0.3 . 3 . . . . . 54 PHE CD2 . 27098 1 673 . 1 1 54 54 PHE CE1 C 13 130.7800 0.3 . 3 . . . . . 54 PHE CE1 . 27098 1 674 . 1 1 54 54 PHE CE2 C 13 130.7800 0.3 . 3 . . . . . 54 PHE CE2 . 27098 1 675 . 1 1 54 54 PHE CZ C 13 132.7800 0.3 . 1 . . . . . 54 PHE CZ . 27098 1 676 . 1 1 54 54 PHE N N 15 117.7620 0.2 . 1 . . . . . 54 PHE N . 27098 1 677 . 1 1 55 55 LEU H H 1 7.7640 0.02 . 1 . . . . . 55 LEU H . 27098 1 678 . 1 1 55 55 LEU HA H 1 4.2140 0.02 . 1 . . . . . 55 LEU HA . 27098 1 679 . 1 1 55 55 LEU HB2 H 1 1.8080 0.02 . 2 . . . . . 55 LEU HB2 . 27098 1 680 . 1 1 55 55 LEU HB3 H 1 1.5790 0.02 . 2 . . . . . 55 LEU HB3 . 27098 1 681 . 1 1 55 55 LEU HG H 1 1.6070 0.02 . 1 . . . . . 55 LEU HG . 27098 1 682 . 1 1 55 55 LEU HD11 H 1 0.9120 0.02 . 2 . . . . . 55 LEU HD11 . 27098 1 683 . 1 1 55 55 LEU HD12 H 1 0.9120 0.02 . 2 . . . . . 55 LEU HD11 . 27098 1 684 . 1 1 55 55 LEU HD13 H 1 0.9120 0.02 . 2 . . . . . 55 LEU HD11 . 27098 1 685 . 1 1 55 55 LEU HD21 H 1 0.9230 0.02 . 2 . . . . . 55 LEU HD21 . 27098 1 686 . 1 1 55 55 LEU HD22 H 1 0.9230 0.02 . 2 . . . . . 55 LEU HD21 . 27098 1 687 . 1 1 55 55 LEU HD23 H 1 0.9230 0.02 . 2 . . . . . 55 LEU HD21 . 27098 1 688 . 1 1 55 55 LEU C C 13 177.2230 0.3 . 1 . . . . . 55 LEU C . 27098 1 689 . 1 1 55 55 LEU CA C 13 57.2300 0.3 . 1 . . . . . 55 LEU CA . 27098 1 690 . 1 1 55 55 LEU CB C 13 41.4910 0.3 . 1 . . . . . 55 LEU CB . 27098 1 691 . 1 1 55 55 LEU CG C 13 26.9000 0.3 . 1 . . . . . 55 LEU CG . 27098 1 692 . 1 1 55 55 LEU CD1 C 13 25.0700 0.3 . 2 . . . . . 55 LEU CD1 . 27098 1 693 . 1 1 55 55 LEU CD2 C 13 24.0000 0.3 . 2 . . . . . 55 LEU CD2 . 27098 1 694 . 1 1 55 55 LEU N N 15 121.5470 0.2 . 1 . . . . . 55 LEU N . 27098 1 695 . 1 1 56 56 ALA H H 1 8.1730 0.02 . 1 . . . . . 56 ALA H . 27098 1 696 . 1 1 56 56 ALA HA H 1 4.3230 0.02 . 1 . . . . . 56 ALA HA . 27098 1 697 . 1 1 56 56 ALA HB1 H 1 1.4050 0.02 . 1 . . . . . 56 ALA HB1 . 27098 1 698 . 1 1 56 56 ALA HB2 H 1 1.4050 0.02 . 1 . . . . . 56 ALA HB1 . 27098 1 699 . 1 1 56 56 ALA HB3 H 1 1.4050 0.02 . 1 . . . . . 56 ALA HB1 . 27098 1 700 . 1 1 56 56 ALA C C 13 177.5770 0.3 . 1 . . . . . 56 ALA C . 27098 1 701 . 1 1 56 56 ALA CA C 13 52.9920 0.3 . 1 . . . . . 56 ALA CA . 27098 1 702 . 1 1 56 56 ALA CB C 13 18.9810 0.3 . 1 . . . . . 56 ALA CB . 27098 1 703 . 1 1 56 56 ALA N N 15 120.0860 0.2 . 1 . . . . . 56 ALA N . 27098 1 704 . 1 1 57 57 GLU H H 1 8.2110 0.02 . 1 . . . . . 57 GLU H . 27098 1 705 . 1 1 57 57 GLU HA H 1 4.3700 0.02 . 1 . . . . . 57 GLU HA . 27098 1 706 . 1 1 57 57 GLU HB2 H 1 1.9890 0.02 . 2 . . . . . 57 GLU HB2 . 27098 1 707 . 1 1 57 57 GLU HB3 H 1 2.1760 0.02 . 2 . . . . . 57 GLU HB3 . 27098 1 708 . 1 1 57 57 GLU HG2 H 1 2.3060 0.02 . 2 . . . . . 57 GLU HG2 . 27098 1 709 . 1 1 57 57 GLU HG3 H 1 2.3890 0.02 . 2 . . . . . 57 GLU HG3 . 27098 1 710 . 1 1 57 57 GLU C C 13 175.2770 0.3 . 1 . . . . . 57 GLU C . 27098 1 711 . 1 1 57 57 GLU CA C 13 57.2450 0.3 . 1 . . . . . 57 GLU CA . 27098 1 712 . 1 1 57 57 GLU CB C 13 31.1770 0.3 . 1 . . . . . 57 GLU CB . 27098 1 713 . 1 1 57 57 GLU CG C 13 36.7400 0.3 . 1 . . . . . 57 GLU CG . 27098 1 714 . 1 1 57 57 GLU N N 15 116.4380 0.2 . 1 . . . . . 57 GLU N . 27098 1 715 . 1 1 58 58 VAL H H 1 7.6120 0.02 . 1 . . . . . 58 VAL H . 27098 1 716 . 1 1 58 58 VAL HA H 1 4.8980 0.02 . 1 . . . . . 58 VAL HA . 27098 1 717 . 1 1 58 58 VAL HB H 1 1.7000 0.02 . 1 . . . . . 58 VAL HB . 27098 1 718 . 1 1 58 58 VAL HG11 H 1 0.3240 0.02 . 2 . . . . . 58 VAL HG11 . 27098 1 719 . 1 1 58 58 VAL HG12 H 1 0.3240 0.02 . 2 . . . . . 58 VAL HG11 . 27098 1 720 . 1 1 58 58 VAL HG13 H 1 0.3240 0.02 . 2 . . . . . 58 VAL HG11 . 27098 1 721 . 1 1 58 58 VAL HG21 H 1 0.4820 0.02 . 2 . . . . . 58 VAL HG21 . 27098 1 722 . 1 1 58 58 VAL HG22 H 1 0.4820 0.02 . 2 . . . . . 58 VAL HG21 . 27098 1 723 . 1 1 58 58 VAL HG23 H 1 0.4820 0.02 . 2 . . . . . 58 VAL HG21 . 27098 1 724 . 1 1 58 58 VAL C C 13 173.8350 0.3 . 1 . . . . . 58 VAL C . 27098 1 725 . 1 1 58 58 VAL CA C 13 59.8800 0.3 . 1 . . . . . 58 VAL CA . 27098 1 726 . 1 1 58 58 VAL CB C 13 35.1170 0.3 . 1 . . . . . 58 VAL CB . 27098 1 727 . 1 1 58 58 VAL CG1 C 13 21.3700 0.3 . 2 . . . . . 58 VAL CG1 . 27098 1 728 . 1 1 58 58 VAL CG2 C 13 22.2800 0.3 . 2 . . . . . 58 VAL CG2 . 27098 1 729 . 1 1 58 58 VAL N N 15 116.5240 0.2 . 1 . . . . . 58 VAL N . 27098 1 730 . 1 1 59 59 LYS H H 1 8.8220 0.02 . 1 . . . . . 59 LYS H . 27098 1 731 . 1 1 59 59 LYS HA H 1 4.7330 0.02 . 1 . . . . . 59 LYS HA . 27098 1 732 . 1 1 59 59 LYS HB2 H 1 1.7530 0.02 . 2 . . . . . 59 LYS HB2 . 27098 1 733 . 1 1 59 59 LYS HB3 H 1 1.7530 0.02 . 2 . . . . . 59 LYS HB3 . 27098 1 734 . 1 1 59 59 LYS HG2 H 1 1.3260 0.02 . 2 . . . . . 59 LYS HG2 . 27098 1 735 . 1 1 59 59 LYS HG3 H 1 1.1960 0.02 . 2 . . . . . 59 LYS HG3 . 27098 1 736 . 1 1 59 59 LYS HD2 H 1 1.6620 0.02 . 2 . . . . . 59 LYS HD2 . 27098 1 737 . 1 1 59 59 LYS HD3 H 1 1.6620 0.02 . 2 . . . . . 59 LYS HD3 . 27098 1 738 . 1 1 59 59 LYS HE2 H 1 2.9350 0.02 . 2 . . . . . 59 LYS HE2 . 27098 1 739 . 1 1 59 59 LYS HE3 H 1 2.9350 0.02 . 2 . . . . . 59 LYS HE3 . 27098 1 740 . 1 1 59 59 LYS C C 13 175.0880 0.3 . 1 . . . . . 59 LYS C . 27098 1 741 . 1 1 59 59 LYS CA C 13 53.8900 0.3 . 1 . . . . . 59 LYS CA . 27098 1 742 . 1 1 59 59 LYS CB C 13 36.3900 0.3 . 1 . . . . . 59 LYS CB . 27098 1 743 . 1 1 59 59 LYS CG C 13 24.0980 0.3 . 1 . . . . . 59 LYS CG . 27098 1 744 . 1 1 59 59 LYS CD C 13 29.1900 0.3 . 1 . . . . . 59 LYS CD . 27098 1 745 . 1 1 59 59 LYS CE C 13 42.2100 0.3 . 1 . . . . . 59 LYS CE . 27098 1 746 . 1 1 59 59 LYS N N 15 122.4630 0.2 . 1 . . . . . 59 LYS N . 27098 1 747 . 1 1 60 60 VAL H H 1 8.8060 0.02 . 1 . . . . . 60 VAL H . 27098 1 748 . 1 1 60 60 VAL HA H 1 4.0850 0.02 . 1 . . . . . 60 VAL HA . 27098 1 749 . 1 1 60 60 VAL HB H 1 2.0420 0.02 . 1 . . . . . 60 VAL HB . 27098 1 750 . 1 1 60 60 VAL HG11 H 1 0.8590 0.02 . 2 . . . . . 60 VAL HG11 . 27098 1 751 . 1 1 60 60 VAL HG12 H 1 0.8590 0.02 . 2 . . . . . 60 VAL HG11 . 27098 1 752 . 1 1 60 60 VAL HG13 H 1 0.8590 0.02 . 2 . . . . . 60 VAL HG11 . 27098 1 753 . 1 1 60 60 VAL HG21 H 1 0.8100 0.02 . 2 . . . . . 60 VAL HG21 . 27098 1 754 . 1 1 60 60 VAL HG22 H 1 0.8100 0.02 . 2 . . . . . 60 VAL HG21 . 27098 1 755 . 1 1 60 60 VAL HG23 H 1 0.8100 0.02 . 2 . . . . . 60 VAL HG21 . 27098 1 756 . 1 1 60 60 VAL C C 13 175.4200 0.3 . 1 . . . . . 60 VAL C . 27098 1 757 . 1 1 60 60 VAL CA C 13 63.5860 0.3 . 1 . . . . . 60 VAL CA . 27098 1 758 . 1 1 60 60 VAL CB C 13 31.2900 0.3 . 1 . . . . . 60 VAL CB . 27098 1 759 . 1 1 60 60 VAL CG1 C 13 22.0000 0.3 . 2 . . . . . 60 VAL CG1 . 27098 1 760 . 1 1 60 60 VAL CG2 C 13 22.0000 0.3 . 2 . . . . . 60 VAL CG2 . 27098 1 761 . 1 1 60 60 VAL N N 15 122.7510 0.2 . 1 . . . . . 60 VAL N . 27098 1 762 . 1 1 61 61 LYS H H 1 9.3720 0.02 . 1 . . . . . 61 LYS H . 27098 1 763 . 1 1 61 61 LYS HA H 1 4.2640 0.02 . 1 . . . . . 61 LYS HA . 27098 1 764 . 1 1 61 61 LYS HB2 H 1 1.6700 0.02 . 2 . . . . . 61 LYS HB2 . 27098 1 765 . 1 1 61 61 LYS HB3 H 1 1.5500 0.02 . 2 . . . . . 61 LYS HB3 . 27098 1 766 . 1 1 61 61 LYS HG2 H 1 1.4410 0.02 . 2 . . . . . 61 LYS HG2 . 27098 1 767 . 1 1 61 61 LYS HG3 H 1 1.2770 0.02 . 2 . . . . . 61 LYS HG3 . 27098 1 768 . 1 1 61 61 LYS HD2 H 1 1.5950 0.02 . 2 . . . . . 61 LYS HD2 . 27098 1 769 . 1 1 61 61 LYS HD3 H 1 1.4600 0.02 . 2 . . . . . 61 LYS HD3 . 27098 1 770 . 1 1 61 61 LYS HE2 H 1 2.9330 0.02 . 2 . . . . . 61 LYS HE2 . 27098 1 771 . 1 1 61 61 LYS HE3 H 1 2.9030 0.02 . 2 . . . . . 61 LYS HE3 . 27098 1 772 . 1 1 61 61 LYS C C 13 176.0740 0.3 . 1 . . . . . 61 LYS C . 27098 1 773 . 1 1 61 61 LYS CA C 13 57.9400 0.3 . 1 . . . . . 61 LYS CA . 27098 1 774 . 1 1 61 61 LYS CB C 13 35.0060 0.3 . 1 . . . . . 61 LYS CB . 27098 1 775 . 1 1 61 61 LYS CG C 13 24.9000 0.3 . 1 . . . . . 61 LYS CG . 27098 1 776 . 1 1 61 61 LYS CD C 13 29.6500 0.3 . 1 . . . . . 61 LYS CD . 27098 1 777 . 1 1 61 61 LYS CE C 13 42.0000 0.3 . 1 . . . . . 61 LYS CE . 27098 1 778 . 1 1 61 61 LYS N N 15 131.6030 0.2 . 1 . . . . . 61 LYS N . 27098 1 779 . 1 1 62 62 GLU H H 1 7.4640 0.02 . 1 . . . . . 62 GLU H . 27098 1 780 . 1 1 62 62 GLU HA H 1 4.6030 0.02 . 1 . . . . . 62 GLU HA . 27098 1 781 . 1 1 62 62 GLU HB2 H 1 2.0480 0.02 . 2 . . . . . 62 GLU HB2 . 27098 1 782 . 1 1 62 62 GLU HB3 H 1 1.8820 0.02 . 2 . . . . . 62 GLU HB3 . 27098 1 783 . 1 1 62 62 GLU HG2 H 1 2.0100 0.02 . 2 . . . . . 62 GLU HG2 . 27098 1 784 . 1 1 62 62 GLU HG3 H 1 2.0100 0.02 . 2 . . . . . 62 GLU HG3 . 27098 1 785 . 1 1 62 62 GLU C C 13 173.4180 0.3 . 1 . . . . . 62 GLU C . 27098 1 786 . 1 1 62 62 GLU CA C 13 55.6120 0.3 . 1 . . . . . 62 GLU CA . 27098 1 787 . 1 1 62 62 GLU CB C 13 33.2190 0.3 . 1 . . . . . 62 GLU CB . 27098 1 788 . 1 1 62 62 GLU CG C 13 35.6400 0.3 . 1 . . . . . 62 GLU CG . 27098 1 789 . 1 1 62 62 GLU N N 15 113.7860 0.2 . 1 . . . . . 62 GLU N . 27098 1 790 . 1 1 63 63 ILE H H 1 8.2560 0.02 . 1 . . . . . 63 ILE H . 27098 1 791 . 1 1 63 63 ILE HA H 1 4.9000 0.02 . 1 . . . . . 63 ILE HA . 27098 1 792 . 1 1 63 63 ILE HB H 1 1.5850 0.02 . 1 . . . . . 63 ILE HB . 27098 1 793 . 1 1 63 63 ILE HG12 H 1 1.5850 0.02 . 2 . . . . . 63 ILE HG12 . 27098 1 794 . 1 1 63 63 ILE HG13 H 1 0.8300 0.02 . 2 . . . . . 63 ILE HG13 . 27098 1 795 . 1 1 63 63 ILE HG21 H 1 0.7360 0.02 . 1 . . . . . 63 ILE HG21 . 27098 1 796 . 1 1 63 63 ILE HG22 H 1 0.7360 0.02 . 1 . . . . . 63 ILE HG21 . 27098 1 797 . 1 1 63 63 ILE HG23 H 1 0.7360 0.02 . 1 . . . . . 63 ILE HG21 . 27098 1 798 . 1 1 63 63 ILE HD11 H 1 0.8300 0.02 . 1 . . . . . 63 ILE HD11 . 27098 1 799 . 1 1 63 63 ILE HD12 H 1 0.8300 0.02 . 1 . . . . . 63 ILE HD11 . 27098 1 800 . 1 1 63 63 ILE HD13 H 1 0.8300 0.02 . 1 . . . . . 63 ILE HD11 . 27098 1 801 . 1 1 63 63 ILE C C 13 173.6280 0.3 . 1 . . . . . 63 ILE C . 27098 1 802 . 1 1 63 63 ILE CA C 13 60.8000 0.3 . 1 . . . . . 63 ILE CA . 27098 1 803 . 1 1 63 63 ILE CB C 13 41.3000 0.3 . 1 . . . . . 63 ILE CB . 27098 1 804 . 1 1 63 63 ILE CG1 C 13 28.5600 0.3 . 1 . . . . . 63 ILE CG1 . 27098 1 805 . 1 1 63 63 ILE CG2 C 13 18.1000 0.3 . 1 . . . . . 63 ILE CG2 . 27098 1 806 . 1 1 63 63 ILE CD1 C 13 15.0600 0.3 . 1 . . . . . 63 ILE CD1 . 27098 1 807 . 1 1 63 63 ILE N N 15 121.4540 0.2 . 1 . . . . . 63 ILE N . 27098 1 808 . 1 1 64 64 ASN H H 1 9.1960 0.02 . 1 . . . . . 64 ASN H . 27098 1 809 . 1 1 64 64 ASN HA H 1 5.2020 0.02 . 1 . . . . . 64 ASN HA . 27098 1 810 . 1 1 64 64 ASN HB2 H 1 2.6390 0.02 . 2 . . . . . 64 ASN HB2 . 27098 1 811 . 1 1 64 64 ASN HB3 H 1 2.6390 0.02 . 2 . . . . . 64 ASN HB3 . 27098 1 812 . 1 1 64 64 ASN HD21 H 1 7.6400 0.02 . 1 . . . . . 64 ASN HD21 . 27098 1 813 . 1 1 64 64 ASN HD22 H 1 7.6400 0.02 . 1 . . . . . 64 ASN HD22 . 27098 1 814 . 1 1 64 64 ASN C C 13 174.5700 0.3 . 1 . . . . . 64 ASN C . 27098 1 815 . 1 1 64 64 ASN CA C 13 52.1590 0.3 . 1 . . . . . 64 ASN CA . 27098 1 816 . 1 1 64 64 ASN CB C 13 41.6790 0.3 . 1 . . . . . 64 ASN CB . 27098 1 817 . 1 1 64 64 ASN N N 15 122.6000 0.2 . 1 . . . . . 64 ASN N . 27098 1 818 . 1 1 64 64 ASN ND2 N 15 116.2000 0.2 . 1 . . . . . 64 ASN ND2 . 27098 1 819 . 1 1 65 65 LEU H H 1 9.2380 0.02 . 1 . . . . . 65 LEU H . 27098 1 820 . 1 1 65 65 LEU HA H 1 5.1390 0.02 . 1 . . . . . 65 LEU HA . 27098 1 821 . 1 1 65 65 LEU HB2 H 1 1.4840 0.02 . 2 . . . . . 65 LEU HB2 . 27098 1 822 . 1 1 65 65 LEU HB3 H 1 1.8260 0.02 . 2 . . . . . 65 LEU HB3 . 27098 1 823 . 1 1 65 65 LEU HG H 1 1.7500 0.02 . 1 . . . . . 65 LEU HG . 27098 1 824 . 1 1 65 65 LEU HD11 H 1 0.9040 0.02 . 2 . . . . . 65 LEU HD11 . 27098 1 825 . 1 1 65 65 LEU HD12 H 1 0.9040 0.02 . 2 . . . . . 65 LEU HD11 . 27098 1 826 . 1 1 65 65 LEU HD13 H 1 0.9040 0.02 . 2 . . . . . 65 LEU HD11 . 27098 1 827 . 1 1 65 65 LEU HD21 H 1 0.8720 0.02 . 2 . . . . . 65 LEU HD21 . 27098 1 828 . 1 1 65 65 LEU HD22 H 1 0.8720 0.02 . 2 . . . . . 65 LEU HD21 . 27098 1 829 . 1 1 65 65 LEU HD23 H 1 0.8720 0.02 . 2 . . . . . 65 LEU HD21 . 27098 1 830 . 1 1 65 65 LEU C C 13 176.1740 0.3 . 1 . . . . . 65 LEU C . 27098 1 831 . 1 1 65 65 LEU CA C 13 53.1710 0.3 . 1 . . . . . 65 LEU CA . 27098 1 832 . 1 1 65 65 LEU CB C 13 42.1700 0.3 . 1 . . . . . 65 LEU CB . 27098 1 833 . 1 1 65 65 LEU CG C 13 26.8200 0.3 . 1 . . . . . 65 LEU CG . 27098 1 834 . 1 1 65 65 LEU CD1 C 13 26.0500 0.3 . 2 . . . . . 65 LEU CD1 . 27098 1 835 . 1 1 65 65 LEU CD2 C 13 22.3300 0.3 . 2 . . . . . 65 LEU CD2 . 27098 1 836 . 1 1 65 65 LEU N N 15 126.9030 0.2 . 1 . . . . . 65 LEU N . 27098 1 837 . 1 1 66 66 GLY H H 1 8.0350 0.02 . 1 . . . . . 66 GLY H . 27098 1 838 . 1 1 66 66 GLY HA2 H 1 4.3500 0.02 . 2 . . . . . 66 GLY HA2 . 27098 1 839 . 1 1 66 66 GLY HA3 H 1 3.5530 0.02 . 2 . . . . . 66 GLY HA3 . 27098 1 840 . 1 1 66 66 GLY C C 13 172.1050 0.3 . 1 . . . . . 66 GLY C . 27098 1 841 . 1 1 66 66 GLY CA C 13 45.5900 0.3 . 1 . . . . . 66 GLY CA . 27098 1 842 . 1 1 66 66 GLY N N 15 110.2100 0.2 . 1 . . . . . 66 GLY N . 27098 1 843 . 1 1 67 67 THR H H 1 7.7870 0.02 . 1 . . . . . 67 THR H . 27098 1 844 . 1 1 67 67 THR HA H 1 4.9500 0.02 . 1 . . . . . 67 THR HA . 27098 1 845 . 1 1 67 67 THR HB H 1 3.8480 0.02 . 1 . . . . . 67 THR HB . 27098 1 846 . 1 1 67 67 THR HG21 H 1 1.0310 0.02 . 1 . . . . . 67 THR HG21 . 27098 1 847 . 1 1 67 67 THR HG22 H 1 1.0310 0.02 . 1 . . . . . 67 THR HG21 . 27098 1 848 . 1 1 67 67 THR HG23 H 1 1.0310 0.02 . 1 . . . . . 67 THR HG21 . 27098 1 849 . 1 1 67 67 THR C C 13 173.2490 0.3 . 1 . . . . . 67 THR C . 27098 1 850 . 1 1 67 67 THR CA C 13 62.5510 0.3 . 1 . . . . . 67 THR CA . 27098 1 851 . 1 1 67 67 THR CB C 13 73.4220 0.3 . 1 . . . . . 67 THR CB . 27098 1 852 . 1 1 67 67 THR CG2 C 13 21.3300 0.3 . 1 . . . . . 67 THR CG2 . 27098 1 853 . 1 1 67 67 THR N N 15 113.7700 0.2 . 1 . . . . . 67 THR N . 27098 1 854 . 1 1 68 68 ASP H H 1 9.5310 0.02 . 1 . . . . . 68 ASP H . 27098 1 855 . 1 1 68 68 ASP HA H 1 5.0000 0.02 . 1 . . . . . 68 ASP HA . 27098 1 856 . 1 1 68 68 ASP HB2 H 1 2.3680 0.02 . 2 . . . . . 68 ASP HB2 . 27098 1 857 . 1 1 68 68 ASP HB3 H 1 2.4710 0.02 . 2 . . . . . 68 ASP HB3 . 27098 1 858 . 1 1 68 68 ASP C C 13 174.2970 0.3 . 1 . . . . . 68 ASP C . 27098 1 859 . 1 1 68 68 ASP CA C 13 52.2580 0.3 . 1 . . . . . 68 ASP CA . 27098 1 860 . 1 1 68 68 ASP CB C 13 43.4590 0.3 . 1 . . . . . 68 ASP CB . 27098 1 861 . 1 1 68 68 ASP N N 15 128.5610 0.2 . 1 . . . . . 68 ASP N . 27098 1 862 . 1 1 69 69 LYS H H 1 8.3550 0.02 . 1 . . . . . 69 LYS H . 27098 1 863 . 1 1 69 69 LYS HA H 1 5.0930 0.02 . 1 . . . . . 69 LYS HA . 27098 1 864 . 1 1 69 69 LYS HB2 H 1 1.6500 0.02 . 2 . . . . . 69 LYS HB2 . 27098 1 865 . 1 1 69 69 LYS HB3 H 1 1.6500 0.02 . 2 . . . . . 69 LYS HB3 . 27098 1 866 . 1 1 69 69 LYS HG2 H 1 1.3360 0.02 . 2 . . . . . 69 LYS HG2 . 27098 1 867 . 1 1 69 69 LYS HG3 H 1 1.3360 0.02 . 2 . . . . . 69 LYS HG3 . 27098 1 868 . 1 1 69 69 LYS HD2 H 1 1.6500 0.02 . 2 . . . . . 69 LYS HD2 . 27098 1 869 . 1 1 69 69 LYS HD3 H 1 1.6500 0.02 . 2 . . . . . 69 LYS HD3 . 27098 1 870 . 1 1 69 69 LYS HE2 H 1 2.9300 0.02 . 2 . . . . . 69 LYS HE2 . 27098 1 871 . 1 1 69 69 LYS HE3 H 1 2.9300 0.02 . 2 . . . . . 69 LYS HE3 . 27098 1 872 . 1 1 69 69 LYS C C 13 176.3210 0.3 . 1 . . . . . 69 LYS C . 27098 1 873 . 1 1 69 69 LYS CA C 13 55.3210 0.3 . 1 . . . . . 69 LYS CA . 27098 1 874 . 1 1 69 69 LYS CB C 13 33.5800 0.3 . 1 . . . . . 69 LYS CB . 27098 1 875 . 1 1 69 69 LYS CG C 13 24.5900 0.3 . 1 . . . . . 69 LYS CG . 27098 1 876 . 1 1 69 69 LYS CD C 13 29.2000 0.3 . 1 . . . . . 69 LYS CD . 27098 1 877 . 1 1 69 69 LYS CE C 13 42.1000 0.3 . 1 . . . . . 69 LYS CE . 27098 1 878 . 1 1 69 69 LYS N N 15 121.7980 0.2 . 1 . . . . . 69 LYS N . 27098 1 879 . 1 1 70 70 VAL H H 1 8.8870 0.02 . 1 . . . . . 70 VAL H . 27098 1 880 . 1 1 70 70 VAL HA H 1 4.4170 0.02 . 1 . . . . . 70 VAL HA . 27098 1 881 . 1 1 70 70 VAL HB H 1 2.0360 0.02 . 1 . . . . . 70 VAL HB . 27098 1 882 . 1 1 70 70 VAL HG11 H 1 0.7660 0.02 . 2 . . . . . 70 VAL HG11 . 27098 1 883 . 1 1 70 70 VAL HG12 H 1 0.7660 0.02 . 2 . . . . . 70 VAL HG11 . 27098 1 884 . 1 1 70 70 VAL HG13 H 1 0.7660 0.02 . 2 . . . . . 70 VAL HG11 . 27098 1 885 . 1 1 70 70 VAL HG21 H 1 0.8170 0.02 . 2 . . . . . 70 VAL HG21 . 27098 1 886 . 1 1 70 70 VAL HG22 H 1 0.8170 0.02 . 2 . . . . . 70 VAL HG21 . 27098 1 887 . 1 1 70 70 VAL HG23 H 1 0.8170 0.02 . 2 . . . . . 70 VAL HG21 . 27098 1 888 . 1 1 70 70 VAL C C 13 174.4280 0.3 . 1 . . . . . 70 VAL C . 27098 1 889 . 1 1 70 70 VAL CA C 13 60.1940 0.3 . 1 . . . . . 70 VAL CA . 27098 1 890 . 1 1 70 70 VAL CB C 13 34.7240 0.3 . 1 . . . . . 70 VAL CB . 27098 1 891 . 1 1 70 70 VAL CG1 C 13 20.1300 0.3 . 2 . . . . . 70 VAL CG1 . 27098 1 892 . 1 1 70 70 VAL CG2 C 13 21.3100 0.3 . 2 . . . . . 70 VAL CG2 . 27098 1 893 . 1 1 70 70 VAL N N 15 122.8260 0.2 . 1 . . . . . 70 VAL N . 27098 1 894 . 1 1 71 71 GLN H H 1 8.3650 0.02 . 1 . . . . . 71 GLN H . 27098 1 895 . 1 1 71 71 GLN HA H 1 4.8230 0.02 . 1 . . . . . 71 GLN HA . 27098 1 896 . 1 1 71 71 GLN HB2 H 1 1.9420 0.02 . 2 . . . . . 71 GLN HB2 . 27098 1 897 . 1 1 71 71 GLN HB3 H 1 1.9420 0.02 . 2 . . . . . 71 GLN HB3 . 27098 1 898 . 1 1 71 71 GLN HG2 H 1 2.1900 0.02 . 2 . . . . . 71 GLN HG2 . 27098 1 899 . 1 1 71 71 GLN HG3 H 1 2.3130 0.02 . 2 . . . . . 71 GLN HG3 . 27098 1 900 . 1 1 71 71 GLN HE21 H 1 7.4380 0.02 . 1 . . . . . 71 GLN HE21 . 27098 1 901 . 1 1 71 71 GLN HE22 H 1 6.6860 0.02 . 1 . . . . . 71 GLN HE22 . 27098 1 902 . 1 1 71 71 GLN C C 13 176.1950 0.3 . 1 . . . . . 71 GLN C . 27098 1 903 . 1 1 71 71 GLN CA C 13 55.0940 0.3 . 1 . . . . . 71 GLN CA . 27098 1 904 . 1 1 71 71 GLN CB C 13 30.5100 0.3 . 1 . . . . . 71 GLN CB . 27098 1 905 . 1 1 71 71 GLN CG C 13 34.3900 0.3 . 1 . . . . . 71 GLN CG . 27098 1 906 . 1 1 71 71 GLN N N 15 122.7940 0.2 . 1 . . . . . 71 GLN N . 27098 1 907 . 1 1 71 71 GLN NE2 N 15 111.2300 0.2 . 1 . . . . . 71 GLN NE2 . 27098 1 908 . 1 1 72 72 ASN H H 1 8.7310 0.02 . 1 . . . . . 72 ASN H . 27098 1 909 . 1 1 72 72 ASN HA H 1 4.9030 0.02 . 1 . . . . . 72 ASN HA . 27098 1 910 . 1 1 72 72 ASN HB2 H 1 2.9400 0.02 . 2 . . . . . 72 ASN HB2 . 27098 1 911 . 1 1 72 72 ASN HB3 H 1 3.2470 0.02 . 2 . . . . . 72 ASN HB3 . 27098 1 912 . 1 1 72 72 ASN HD21 H 1 7.5850 0.02 . 1 . . . . . 72 ASN HD21 . 27098 1 913 . 1 1 72 72 ASN HD22 H 1 6.8060 0.02 . 1 . . . . . 72 ASN HD22 . 27098 1 914 . 1 1 72 72 ASN C C 13 176.8950 0.3 . 1 . . . . . 72 ASN C . 27098 1 915 . 1 1 72 72 ASN CA C 13 51.5380 0.3 . 1 . . . . . 72 ASN CA . 27098 1 916 . 1 1 72 72 ASN CB C 13 39.4550 0.3 . 1 . . . . . 72 ASN CB . 27098 1 917 . 1 1 72 72 ASN N N 15 123.5550 0.2 . 1 . . . . . 72 ASN N . 27098 1 918 . 1 1 72 72 ASN ND2 N 15 111.3200 0.2 . 1 . . . . . 72 ASN ND2 . 27098 1 919 . 1 1 73 73 ASP H H 1 8.5120 0.02 . 1 . . . . . 73 ASP H . 27098 1 920 . 1 1 73 73 ASP HA H 1 4.4010 0.02 . 1 . . . . . 73 ASP HA . 27098 1 921 . 1 1 73 73 ASP HB2 H 1 2.7490 0.02 . 2 . . . . . 73 ASP HB2 . 27098 1 922 . 1 1 73 73 ASP HB3 H 1 2.6370 0.02 . 2 . . . . . 73 ASP HB3 . 27098 1 923 . 1 1 73 73 ASP C C 13 176.2820 0.3 . 1 . . . . . 73 ASP C . 27098 1 924 . 1 1 73 73 ASP CA C 13 56.6460 0.3 . 1 . . . . . 73 ASP CA . 27098 1 925 . 1 1 73 73 ASP CB C 13 40.0260 0.3 . 1 . . . . . 73 ASP CB . 27098 1 926 . 1 1 73 73 ASP N N 15 119.4650 0.2 . 1 . . . . . 73 ASP N . 27098 1 927 . 1 1 74 74 ASP H H 1 7.7860 0.02 . 1 . . . . . 74 ASP H . 27098 1 928 . 1 1 74 74 ASP HA H 1 4.6470 0.02 . 1 . . . . . 74 ASP HA . 27098 1 929 . 1 1 74 74 ASP HB2 H 1 2.7520 0.02 . 2 . . . . . 74 ASP HB2 . 27098 1 930 . 1 1 74 74 ASP HB3 H 1 2.7520 0.02 . 2 . . . . . 74 ASP HB3 . 27098 1 931 . 1 1 74 74 ASP C C 13 176.7670 0.3 . 1 . . . . . 74 ASP C . 27098 1 932 . 1 1 74 74 ASP CA C 13 54.0370 0.3 . 1 . . . . . 74 ASP CA . 27098 1 933 . 1 1 74 74 ASP CB C 13 40.8040 0.3 . 1 . . . . . 74 ASP CB . 27098 1 934 . 1 1 74 74 ASP N N 15 117.1150 0.2 . 1 . . . . . 74 ASP N . 27098 1 935 . 1 1 75 75 GLY H H 1 8.1170 0.02 . 1 . . . . . 75 GLY H . 27098 1 936 . 1 1 75 75 GLY HA2 H 1 4.2180 0.02 . 2 . . . . . 75 GLY HA2 . 27098 1 937 . 1 1 75 75 GLY HA3 H 1 3.6830 0.02 . 2 . . . . . 75 GLY HA3 . 27098 1 938 . 1 1 75 75 GLY C C 13 174.1680 0.3 . 1 . . . . . 75 GLY C . 27098 1 939 . 1 1 75 75 GLY CA C 13 45.1920 0.3 . 1 . . . . . 75 GLY CA . 27098 1 940 . 1 1 75 75 GLY N N 15 107.7090 0.2 . 1 . . . . . 75 GLY N . 27098 1 941 . 1 1 76 76 LYS H H 1 7.8060 0.02 . 1 . . . . . 76 LYS H . 27098 1 942 . 1 1 76 76 LYS HA H 1 4.4400 0.02 . 1 . . . . . 76 LYS HA . 27098 1 943 . 1 1 76 76 LYS HB2 H 1 1.7940 0.02 . 2 . . . . . 76 LYS HB2 . 27098 1 944 . 1 1 76 76 LYS HB3 H 1 1.7940 0.02 . 2 . . . . . 76 LYS HB3 . 27098 1 945 . 1 1 76 76 LYS HG2 H 1 1.4050 0.02 . 2 . . . . . 76 LYS HG2 . 27098 1 946 . 1 1 76 76 LYS HG3 H 1 1.3220 0.02 . 2 . . . . . 76 LYS HG3 . 27098 1 947 . 1 1 76 76 LYS HD2 H 1 1.6520 0.02 . 2 . . . . . 76 LYS HD2 . 27098 1 948 . 1 1 76 76 LYS HD3 H 1 1.6520 0.02 . 2 . . . . . 76 LYS HD3 . 27098 1 949 . 1 1 76 76 LYS HE2 H 1 2.9890 0.02 . 2 . . . . . 76 LYS HE2 . 27098 1 950 . 1 1 76 76 LYS HE3 H 1 2.9890 0.02 . 2 . . . . . 76 LYS HE3 . 27098 1 951 . 1 1 76 76 LYS C C 13 175.7160 0.3 . 1 . . . . . 76 LYS C . 27098 1 952 . 1 1 76 76 LYS CA C 13 55.4540 0.3 . 1 . . . . . 76 LYS CA . 27098 1 953 . 1 1 76 76 LYS CB C 13 33.3000 0.3 . 1 . . . . . 76 LYS CB . 27098 1 954 . 1 1 76 76 LYS CG C 13 24.9900 0.3 . 1 . . . . . 76 LYS CG . 27098 1 955 . 1 1 76 76 LYS CD C 13 28.9200 0.3 . 1 . . . . . 76 LYS CD . 27098 1 956 . 1 1 76 76 LYS CE C 13 42.3400 0.3 . 1 . . . . . 76 LYS CE . 27098 1 957 . 1 1 76 76 LYS N N 15 121.1490 0.2 . 1 . . . . . 76 LYS N . 27098 1 958 . 1 1 77 77 SER H H 1 8.4250 0.02 . 1 . . . . . 77 SER H . 27098 1 959 . 1 1 77 77 SER HA H 1 5.0240 0.02 . 1 . . . . . 77 SER HA . 27098 1 960 . 1 1 77 77 SER HB2 H 1 3.6920 0.02 . 2 . . . . . 77 SER HB2 . 27098 1 961 . 1 1 77 77 SER HB3 H 1 3.6920 0.02 . 2 . . . . . 77 SER HB3 . 27098 1 962 . 1 1 77 77 SER C C 13 174.2610 0.3 . 1 . . . . . 77 SER C . 27098 1 963 . 1 1 77 77 SER CA C 13 58.1510 0.3 . 1 . . . . . 77 SER CA . 27098 1 964 . 1 1 77 77 SER CB C 13 64.2330 0.3 . 1 . . . . . 77 SER CB . 27098 1 965 . 1 1 77 77 SER N N 15 117.5850 0.2 . 1 . . . . . 77 SER N . 27098 1 966 . 1 1 78 78 VAL H H 1 8.9780 0.02 . 1 . . . . . 78 VAL H . 27098 1 967 . 1 1 78 78 VAL HA H 1 4.4670 0.02 . 1 . . . . . 78 VAL HA . 27098 1 968 . 1 1 78 78 VAL HB H 1 2.0920 0.02 . 1 . . . . . 78 VAL HB . 27098 1 969 . 1 1 78 78 VAL HG11 H 1 0.8870 0.02 . 2 . . . . . 78 VAL HG11 . 27098 1 970 . 1 1 78 78 VAL HG12 H 1 0.8870 0.02 . 2 . . . . . 78 VAL HG11 . 27098 1 971 . 1 1 78 78 VAL HG13 H 1 0.8870 0.02 . 2 . . . . . 78 VAL HG11 . 27098 1 972 . 1 1 78 78 VAL HG21 H 1 0.8330 0.02 . 2 . . . . . 78 VAL HG21 . 27098 1 973 . 1 1 78 78 VAL HG22 H 1 0.8330 0.02 . 2 . . . . . 78 VAL HG21 . 27098 1 974 . 1 1 78 78 VAL HG23 H 1 0.8330 0.02 . 2 . . . . . 78 VAL HG21 . 27098 1 975 . 1 1 78 78 VAL C C 13 173.8580 0.3 . 1 . . . . . 78 VAL C . 27098 1 976 . 1 1 78 78 VAL CA C 13 60.1610 0.3 . 1 . . . . . 78 VAL CA . 27098 1 977 . 1 1 78 78 VAL CB C 13 35.2220 0.3 . 1 . . . . . 78 VAL CB . 27098 1 978 . 1 1 78 78 VAL CG1 C 13 21.4300 0.3 . 2 . . . . . 78 VAL CG1 . 27098 1 979 . 1 1 78 78 VAL CG2 C 13 19.8300 0.3 . 2 . . . . . 78 VAL CG2 . 27098 1 980 . 1 1 78 78 VAL N N 15 122.4650 0.2 . 1 . . . . . 78 VAL N . 27098 1 981 . 1 1 79 79 ASN H H 1 8.2700 0.02 . 1 . . . . . 79 ASN H . 27098 1 982 . 1 1 79 79 ASN HA H 1 5.3370 0.02 . 1 . . . . . 79 ASN HA . 27098 1 983 . 1 1 79 79 ASN HB2 H 1 2.7110 0.02 . 2 . . . . . 79 ASN HB2 . 27098 1 984 . 1 1 79 79 ASN HB3 H 1 2.5730 0.02 . 2 . . . . . 79 ASN HB3 . 27098 1 985 . 1 1 79 79 ASN HD21 H 1 7.3640 0.02 . 1 . . . . . 79 ASN HD21 . 27098 1 986 . 1 1 79 79 ASN HD22 H 1 6.7530 0.02 . 1 . . . . . 79 ASN HD22 . 27098 1 987 . 1 1 79 79 ASN C C 13 175.1420 0.3 . 1 . . . . . 79 ASN C . 27098 1 988 . 1 1 79 79 ASN CA C 13 52.3510 0.3 . 1 . . . . . 79 ASN CA . 27098 1 989 . 1 1 79 79 ASN CB C 13 39.5450 0.3 . 1 . . . . . 79 ASN CB . 27098 1 990 . 1 1 79 79 ASN N N 15 121.5090 0.2 . 1 . . . . . 79 ASN N . 27098 1 991 . 1 1 79 79 ASN ND2 N 15 111.4200 0.2 . 1 . . . . . 79 ASN ND2 . 27098 1 992 . 1 1 80 80 ILE H H 1 9.1340 0.02 . 1 . . . . . 80 ILE H . 27098 1 993 . 1 1 80 80 ILE HA H 1 4.5580 0.02 . 1 . . . . . 80 ILE HA . 27098 1 994 . 1 1 80 80 ILE HB H 1 1.7050 0.02 . 1 . . . . . 80 ILE HB . 27098 1 995 . 1 1 80 80 ILE HG12 H 1 1.6290 0.02 . 2 . . . . . 80 ILE HG12 . 27098 1 996 . 1 1 80 80 ILE HG13 H 1 1.2630 0.02 . 2 . . . . . 80 ILE HG13 . 27098 1 997 . 1 1 80 80 ILE HG21 H 1 0.9190 0.02 . 1 . . . . . 80 ILE HG21 . 27098 1 998 . 1 1 80 80 ILE HG22 H 1 0.9190 0.02 . 1 . . . . . 80 ILE HG21 . 27098 1 999 . 1 1 80 80 ILE HG23 H 1 0.9190 0.02 . 1 . . . . . 80 ILE HG21 . 27098 1 1000 . 1 1 80 80 ILE HD11 H 1 0.8680 0.02 . 1 . . . . . 80 ILE HD11 . 27098 1 1001 . 1 1 80 80 ILE HD12 H 1 0.8680 0.02 . 1 . . . . . 80 ILE HD11 . 27098 1 1002 . 1 1 80 80 ILE HD13 H 1 0.8680 0.02 . 1 . . . . . 80 ILE HD11 . 27098 1 1003 . 1 1 80 80 ILE C C 13 173.8140 0.3 . 1 . . . . . 80 ILE C . 27098 1 1004 . 1 1 80 80 ILE CA C 13 59.9300 0.3 . 1 . . . . . 80 ILE CA . 27098 1 1005 . 1 1 80 80 ILE CB C 13 41.6560 0.3 . 1 . . . . . 80 ILE CB . 27098 1 1006 . 1 1 80 80 ILE CG1 C 13 28.0600 0.3 . 1 . . . . . 80 ILE CG1 . 27098 1 1007 . 1 1 80 80 ILE CG2 C 13 17.1400 0.3 . 1 . . . . . 80 ILE CG2 . 27098 1 1008 . 1 1 80 80 ILE CD1 C 13 13.7200 0.3 . 1 . . . . . 80 ILE CD1 . 27098 1 1009 . 1 1 80 80 ILE N N 15 123.7160 0.2 . 1 . . . . . 80 ILE N . 27098 1 1010 . 1 1 81 81 SER H H 1 9.0550 0.02 . 1 . . . . . 81 SER H . 27098 1 1011 . 1 1 81 81 SER HA H 1 5.1820 0.02 . 1 . . . . . 81 SER HA . 27098 1 1012 . 1 1 81 81 SER HB2 H 1 3.8350 0.02 . 2 . . . . . 81 SER HB2 . 27098 1 1013 . 1 1 81 81 SER HB3 H 1 3.7520 0.02 . 2 . . . . . 81 SER HB3 . 27098 1 1014 . 1 1 81 81 SER C C 13 173.7130 0.3 . 1 . . . . . 81 SER C . 27098 1 1015 . 1 1 81 81 SER CA C 13 60.0250 0.3 . 1 . . . . . 81 SER CA . 27098 1 1016 . 1 1 81 81 SER CB C 13 64.1630 0.3 . 1 . . . . . 81 SER CB . 27098 1 1017 . 1 1 81 81 SER N N 15 124.8110 0.2 . 1 . . . . . 81 SER N . 27098 1 1018 . 1 1 82 82 THR H H 1 8.9590 0.02 . 1 . . . . . 82 THR H . 27098 1 1019 . 1 1 82 82 THR HA H 1 5.0740 0.02 . 1 . . . . . 82 THR HA . 27098 1 1020 . 1 1 82 82 THR HB H 1 4.2410 0.02 . 1 . . . . . 82 THR HB . 27098 1 1021 . 1 1 82 82 THR HG21 H 1 1.0120 0.02 . 1 . . . . . 82 THR HG21 . 27098 1 1022 . 1 1 82 82 THR HG22 H 1 1.0120 0.02 . 1 . . . . . 82 THR HG21 . 27098 1 1023 . 1 1 82 82 THR HG23 H 1 1.0120 0.02 . 1 . . . . . 82 THR HG21 . 27098 1 1024 . 1 1 82 82 THR C C 13 172.2940 0.3 . 1 . . . . . 82 THR C . 27098 1 1025 . 1 1 82 82 THR CA C 13 60.0990 0.3 . 1 . . . . . 82 THR CA . 27098 1 1026 . 1 1 82 82 THR CB C 13 71.7780 0.3 . 1 . . . . . 82 THR CB . 27098 1 1027 . 1 1 82 82 THR CG2 C 13 21.2600 0.3 . 1 . . . . . 82 THR CG2 . 27098 1 1028 . 1 1 82 82 THR N N 15 113.6600 0.2 . 1 . . . . . 82 THR N . 27098 1 1029 . 1 1 83 83 ILE H H 1 8.5380 0.02 . 1 . . . . . 83 ILE H . 27098 1 1030 . 1 1 83 83 ILE HA H 1 5.0540 0.02 . 1 . . . . . 83 ILE HA . 27098 1 1031 . 1 1 83 83 ILE HB H 1 1.3830 0.02 . 1 . . . . . 83 ILE HB . 27098 1 1032 . 1 1 83 83 ILE HG12 H 1 1.5650 0.02 . 2 . . . . . 83 ILE HG12 . 27098 1 1033 . 1 1 83 83 ILE HG13 H 1 0.9280 0.02 . 2 . . . . . 83 ILE HG13 . 27098 1 1034 . 1 1 83 83 ILE HG21 H 1 0.7850 0.02 . 1 . . . . . 83 ILE HG21 . 27098 1 1035 . 1 1 83 83 ILE HG22 H 1 0.7850 0.02 . 1 . . . . . 83 ILE HG21 . 27098 1 1036 . 1 1 83 83 ILE HG23 H 1 0.7850 0.02 . 1 . . . . . 83 ILE HG21 . 27098 1 1037 . 1 1 83 83 ILE HD11 H 1 0.5430 0.02 . 1 . . . . . 83 ILE HD11 . 27098 1 1038 . 1 1 83 83 ILE HD12 H 1 0.5430 0.02 . 1 . . . . . 83 ILE HD11 . 27098 1 1039 . 1 1 83 83 ILE HD13 H 1 0.5430 0.02 . 1 . . . . . 83 ILE HD11 . 27098 1 1040 . 1 1 83 83 ILE C C 13 171.7570 0.3 . 1 . . . . . 83 ILE C . 27098 1 1041 . 1 1 83 83 ILE CA C 13 59.8900 0.3 . 1 . . . . . 83 ILE CA . 27098 1 1042 . 1 1 83 83 ILE CB C 13 42.8520 0.3 . 1 . . . . . 83 ILE CB . 27098 1 1043 . 1 1 83 83 ILE CG1 C 13 31.0000 0.3 . 1 . . . . . 83 ILE CG1 . 27098 1 1044 . 1 1 83 83 ILE CG2 C 13 17.8500 0.3 . 1 . . . . . 83 ILE CG2 . 27098 1 1045 . 1 1 83 83 ILE CD1 C 13 13.4800 0.3 . 1 . . . . . 83 ILE CD1 . 27098 1 1046 . 1 1 83 83 ILE N N 15 116.7190 0.2 . 1 . . . . . 83 ILE N . 27098 1 1047 . 1 1 84 84 GLU H H 1 8.2410 0.02 . 1 . . . . . 84 GLU H . 27098 1 1048 . 1 1 84 84 GLU HA H 1 5.1950 0.02 . 1 . . . . . 84 GLU HA . 27098 1 1049 . 1 1 84 84 GLU HB2 H 1 2.0860 0.02 . 2 . . . . . 84 GLU HB2 . 27098 1 1050 . 1 1 84 84 GLU HB3 H 1 1.8650 0.02 . 2 . . . . . 84 GLU HB3 . 27098 1 1051 . 1 1 84 84 GLU HG2 H 1 1.8260 0.02 . 2 . . . . . 84 GLU HG2 . 27098 1 1052 . 1 1 84 84 GLU HG3 H 1 1.8260 0.02 . 2 . . . . . 84 GLU HG3 . 27098 1 1053 . 1 1 84 84 GLU C C 13 174.2580 0.3 . 1 . . . . . 84 GLU C . 27098 1 1054 . 1 1 84 84 GLU CA C 13 54.5460 0.3 . 1 . . . . . 84 GLU CA . 27098 1 1055 . 1 1 84 84 GLU CB C 13 33.2530 0.3 . 1 . . . . . 84 GLU CB . 27098 1 1056 . 1 1 84 84 GLU CG C 13 37.0000 0.3 . 1 . . . . . 84 GLU CG . 27098 1 1057 . 1 1 84 84 GLU N N 15 127.0130 0.2 . 1 . . . . . 84 GLU N . 27098 1 1058 . 1 1 85 85 ILE H H 1 9.5710 0.02 . 1 . . . . . 85 ILE H . 27098 1 1059 . 1 1 85 85 ILE HA H 1 4.5080 0.02 . 1 . . . . . 85 ILE HA . 27098 1 1060 . 1 1 85 85 ILE HB H 1 1.7410 0.02 . 1 . . . . . 85 ILE HB . 27098 1 1061 . 1 1 85 85 ILE HG12 H 1 0.8350 0.02 . 2 . . . . . 85 ILE HG12 . 27098 1 1062 . 1 1 85 85 ILE HG13 H 1 1.5800 0.02 . 2 . . . . . 85 ILE HG13 . 27098 1 1063 . 1 1 85 85 ILE HG21 H 1 0.8200 0.02 . 1 . . . . . 85 ILE HG21 . 27098 1 1064 . 1 1 85 85 ILE HG22 H 1 0.8200 0.02 . 1 . . . . . 85 ILE HG21 . 27098 1 1065 . 1 1 85 85 ILE HG23 H 1 0.8200 0.02 . 1 . . . . . 85 ILE HG21 . 27098 1 1066 . 1 1 85 85 ILE HD11 H 1 0.6840 0.02 . 1 . . . . . 85 ILE HD11 . 27098 1 1067 . 1 1 85 85 ILE HD12 H 1 0.6840 0.02 . 1 . . . . . 85 ILE HD11 . 27098 1 1068 . 1 1 85 85 ILE HD13 H 1 0.6840 0.02 . 1 . . . . . 85 ILE HD11 . 27098 1 1069 . 1 1 85 85 ILE C C 13 174.3400 0.3 . 1 . . . . . 85 ILE C . 27098 1 1070 . 1 1 85 85 ILE CA C 13 60.4110 0.3 . 1 . . . . . 85 ILE CA . 27098 1 1071 . 1 1 85 85 ILE CB C 13 41.2120 0.3 . 1 . . . . . 85 ILE CB . 27098 1 1072 . 1 1 85 85 ILE CG1 C 13 27.9700 0.3 . 1 . . . . . 85 ILE CG1 . 27098 1 1073 . 1 1 85 85 ILE CG2 C 13 18.0900 0.3 . 1 . . . . . 85 ILE CG2 . 27098 1 1074 . 1 1 85 85 ILE CD1 C 13 14.7300 0.3 . 1 . . . . . 85 ILE CD1 . 27098 1 1075 . 1 1 85 85 ILE N N 15 127.3770 0.2 . 1 . . . . . 85 ILE N . 27098 1 1076 . 1 1 86 86 VAL H H 1 9.0930 0.02 . 1 . . . . . 86 VAL H . 27098 1 1077 . 1 1 86 86 VAL HA H 1 4.5770 0.02 . 1 . . . . . 86 VAL HA . 27098 1 1078 . 1 1 86 86 VAL HB H 1 2.0730 0.02 . 1 . . . . . 86 VAL HB . 27098 1 1079 . 1 1 86 86 VAL HG11 H 1 0.7730 0.02 . 2 . . . . . 86 VAL HG11 . 27098 1 1080 . 1 1 86 86 VAL HG12 H 1 0.7730 0.02 . 2 . . . . . 86 VAL HG11 . 27098 1 1081 . 1 1 86 86 VAL HG13 H 1 0.7730 0.02 . 2 . . . . . 86 VAL HG11 . 27098 1 1082 . 1 1 86 86 VAL HG21 H 1 0.8010 0.02 . 2 . . . . . 86 VAL HG21 . 27098 1 1083 . 1 1 86 86 VAL HG22 H 1 0.8010 0.02 . 2 . . . . . 86 VAL HG21 . 27098 1 1084 . 1 1 86 86 VAL HG23 H 1 0.8010 0.02 . 2 . . . . . 86 VAL HG21 . 27098 1 1085 . 1 1 86 86 VAL C C 13 175.0640 0.3 . 1 . . . . . 86 VAL C . 27098 1 1086 . 1 1 86 86 VAL CA C 13 62.0680 0.3 . 1 . . . . . 86 VAL CA . 27098 1 1087 . 1 1 86 86 VAL CB C 13 32.0940 0.3 . 1 . . . . . 86 VAL CB . 27098 1 1088 . 1 1 86 86 VAL CG1 C 13 20.8300 0.3 . 2 . . . . . 86 VAL CG1 . 27098 1 1089 . 1 1 86 86 VAL CG2 C 13 21.7100 0.3 . 2 . . . . . 86 VAL CG2 . 27098 1 1090 . 1 1 86 86 VAL N N 15 127.6470 0.2 . 1 . . . . . 86 VAL N . 27098 1 1091 . 1 1 87 87 LEU H H 1 9.3070 0.02 . 1 . . . . . 87 LEU H . 27098 1 1092 . 1 1 87 87 LEU HA H 1 5.2500 0.02 . 1 . . . . . 87 LEU HA . 27098 1 1093 . 1 1 87 87 LEU HB2 H 1 2.0380 0.02 . 2 . . . . . 87 LEU HB2 . 27098 1 1094 . 1 1 87 87 LEU HB3 H 1 1.3950 0.02 . 2 . . . . . 87 LEU HB3 . 27098 1 1095 . 1 1 87 87 LEU HG H 1 1.7090 0.02 . 1 . . . . . 87 LEU HG . 27098 1 1096 . 1 1 87 87 LEU HD11 H 1 0.8320 0.02 . 2 . . . . . 87 LEU HD11 . 27098 1 1097 . 1 1 87 87 LEU HD12 H 1 0.8320 0.02 . 2 . . . . . 87 LEU HD11 . 27098 1 1098 . 1 1 87 87 LEU HD13 H 1 0.8320 0.02 . 2 . . . . . 87 LEU HD11 . 27098 1 1099 . 1 1 87 87 LEU HD21 H 1 0.8820 0.02 . 2 . . . . . 87 LEU HD21 . 27098 1 1100 . 1 1 87 87 LEU HD22 H 1 0.8820 0.02 . 2 . . . . . 87 LEU HD21 . 27098 1 1101 . 1 1 87 87 LEU HD23 H 1 0.8820 0.02 . 2 . . . . . 87 LEU HD21 . 27098 1 1102 . 1 1 87 87 LEU C C 13 175.0900 0.3 . 1 . . . . . 87 LEU C . 27098 1 1103 . 1 1 87 87 LEU CA C 13 53.0860 0.3 . 1 . . . . . 87 LEU CA . 27098 1 1104 . 1 1 87 87 LEU CB C 13 45.0380 0.3 . 1 . . . . . 87 LEU CB . 27098 1 1105 . 1 1 87 87 LEU CG C 13 26.7900 0.3 . 1 . . . . . 87 LEU CG . 27098 1 1106 . 1 1 87 87 LEU CD1 C 13 24.4300 0.3 . 2 . . . . . 87 LEU CD1 . 27098 1 1107 . 1 1 87 87 LEU CD2 C 13 26.6400 0.3 . 2 . . . . . 87 LEU CD2 . 27098 1 1108 . 1 1 87 87 LEU N N 15 127.9490 0.2 . 1 . . . . . 87 LEU N . 27098 1 1109 . 1 1 88 88 GLU H H 1 9.1930 0.02 . 1 . . . . . 88 GLU H . 27098 1 1110 . 1 1 88 88 GLU HA H 1 5.4500 0.02 . 1 . . . . . 88 GLU HA . 27098 1 1111 . 1 1 88 88 GLU HB2 H 1 1.9840 0.02 . 2 . . . . . 88 GLU HB2 . 27098 1 1112 . 1 1 88 88 GLU HB3 H 1 1.8650 0.02 . 2 . . . . . 88 GLU HB3 . 27098 1 1113 . 1 1 88 88 GLU HG2 H 1 2.1750 0.02 . 2 . . . . . 88 GLU HG2 . 27098 1 1114 . 1 1 88 88 GLU HG3 H 1 2.1750 0.02 . 2 . . . . . 88 GLU HG3 . 27098 1 1115 . 1 1 88 88 GLU C C 13 174.1020 0.3 . 1 . . . . . 88 GLU C . 27098 1 1116 . 1 1 88 88 GLU CA C 13 54.0000 0.3 . 1 . . . . . 88 GLU CA . 27098 1 1117 . 1 1 88 88 GLU CB C 13 34.5630 0.3 . 1 . . . . . 88 GLU CB . 27098 1 1118 . 1 1 88 88 GLU CG C 13 35.7000 0.3 . 1 . . . . . 88 GLU CG . 27098 1 1119 . 1 1 88 88 GLU N N 15 120.6540 0.2 . 1 . . . . . 88 GLU N . 27098 1 1120 . 1 1 89 89 LYS H H 1 8.5050 0.02 . 1 . . . . . 89 LYS H . 27098 1 1121 . 1 1 89 89 LYS HA H 1 4.4780 0.02 . 1 . . . . . 89 LYS HA . 27098 1 1122 . 1 1 89 89 LYS HB2 H 1 1.6940 0.02 . 2 . . . . . 89 LYS HB2 . 27098 1 1123 . 1 1 89 89 LYS HB3 H 1 1.1940 0.02 . 2 . . . . . 89 LYS HB3 . 27098 1 1124 . 1 1 89 89 LYS HG2 H 1 1.1150 0.02 . 2 . . . . . 89 LYS HG2 . 27098 1 1125 . 1 1 89 89 LYS HG3 H 1 1.2600 0.02 . 2 . . . . . 89 LYS HG3 . 27098 1 1126 . 1 1 89 89 LYS HD2 H 1 1.4470 0.02 . 2 . . . . . 89 LYS HD2 . 27098 1 1127 . 1 1 89 89 LYS HD3 H 1 1.3540 0.02 . 2 . . . . . 89 LYS HD3 . 27098 1 1128 . 1 1 89 89 LYS HE2 H 1 2.8770 0.02 . 2 . . . . . 89 LYS HE2 . 27098 1 1129 . 1 1 89 89 LYS HE3 H 1 2.8770 0.02 . 2 . . . . . 89 LYS HE3 . 27098 1 1130 . 1 1 89 89 LYS C C 13 175.9820 0.3 . 1 . . . . . 89 LYS C . 27098 1 1131 . 1 1 89 89 LYS CA C 13 55.3000 0.3 . 1 . . . . . 89 LYS CA . 27098 1 1132 . 1 1 89 89 LYS CB C 13 33.6430 0.3 . 1 . . . . . 89 LYS CB . 27098 1 1133 . 1 1 89 89 LYS CG C 13 24.7000 0.3 . 1 . . . . . 89 LYS CG . 27098 1 1134 . 1 1 89 89 LYS CD C 13 29.2800 0.3 . 1 . . . . . 89 LYS CD . 27098 1 1135 . 1 1 89 89 LYS CE C 13 41.9800 0.3 . 1 . . . . . 89 LYS CE . 27098 1 1136 . 1 1 89 89 LYS N N 15 124.9880 0.2 . 1 . . . . . 89 LYS N . 27098 1 1137 . 1 1 90 90 LEU H H 1 8.3710 0.02 . 1 . . . . . 90 LEU H . 27098 1 1138 . 1 1 90 90 LEU HA H 1 4.3000 0.02 . 1 . . . . . 90 LEU HA . 27098 1 1139 . 1 1 90 90 LEU HB2 H 1 1.3900 0.02 . 2 . . . . . 90 LEU HB2 . 27098 1 1140 . 1 1 90 90 LEU HB3 H 1 1.4820 0.02 . 2 . . . . . 90 LEU HB3 . 27098 1 1141 . 1 1 90 90 LEU HG H 1 1.4410 0.02 . 1 . . . . . 90 LEU HG . 27098 1 1142 . 1 1 90 90 LEU HD11 H 1 0.7890 0.02 . 2 . . . . . 90 LEU HD11 . 27098 1 1143 . 1 1 90 90 LEU HD12 H 1 0.7890 0.02 . 2 . . . . . 90 LEU HD11 . 27098 1 1144 . 1 1 90 90 LEU HD13 H 1 0.7890 0.02 . 2 . . . . . 90 LEU HD11 . 27098 1 1145 . 1 1 90 90 LEU HD21 H 1 0.7700 0.02 . 2 . . . . . 90 LEU HD21 . 27098 1 1146 . 1 1 90 90 LEU HD22 H 1 0.7700 0.02 . 2 . . . . . 90 LEU HD21 . 27098 1 1147 . 1 1 90 90 LEU HD23 H 1 0.7700 0.02 . 2 . . . . . 90 LEU HD21 . 27098 1 1148 . 1 1 90 90 LEU C C 13 176.6300 0.3 . 1 . . . . . 90 LEU C . 27098 1 1149 . 1 1 90 90 LEU CA C 13 54.7860 0.3 . 1 . . . . . 90 LEU CA . 27098 1 1150 . 1 1 90 90 LEU CB C 13 42.5540 0.3 . 1 . . . . . 90 LEU CB . 27098 1 1151 . 1 1 90 90 LEU CG C 13 27.2700 0.3 . 1 . . . . . 90 LEU CG . 27098 1 1152 . 1 1 90 90 LEU CD1 C 13 25.0300 0.3 . 2 . . . . . 90 LEU CD1 . 27098 1 1153 . 1 1 90 90 LEU CD2 C 13 23.4000 0.3 . 2 . . . . . 90 LEU CD2 . 27098 1 1154 . 1 1 90 90 LEU N N 15 127.3190 0.2 . 1 . . . . . 90 LEU N . 27098 1 1155 . 1 1 91 91 GLU H H 1 8.3610 0.02 . 1 . . . . . 91 GLU H . 27098 1 1156 . 1 1 91 91 GLU HA H 1 4.2590 0.02 . 1 . . . . . 91 GLU HA . 27098 1 1157 . 1 1 91 91 GLU HB2 H 1 1.8710 0.02 . 2 . . . . . 91 GLU HB2 . 27098 1 1158 . 1 1 91 91 GLU HB3 H 1 1.8710 0.02 . 2 . . . . . 91 GLU HB3 . 27098 1 1159 . 1 1 91 91 GLU HG2 H 1 2.2060 0.02 . 2 . . . . . 91 GLU HG2 . 27098 1 1160 . 1 1 91 91 GLU HG3 H 1 2.1350 0.02 . 2 . . . . . 91 GLU HG3 . 27098 1 1161 . 1 1 91 91 GLU C C 13 175.8640 0.3 . 1 . . . . . 91 GLU C . 27098 1 1162 . 1 1 91 91 GLU CA C 13 56.0840 0.3 . 1 . . . . . 91 GLU CA . 27098 1 1163 . 1 1 91 91 GLU CB C 13 30.6480 0.3 . 1 . . . . . 91 GLU CB . 27098 1 1164 . 1 1 91 91 GLU CG C 13 36.2000 0.3 . 1 . . . . . 91 GLU CG . 27098 1 1165 . 1 1 91 91 GLU N N 15 121.5520 0.2 . 1 . . . . . 91 GLU N . 27098 1 1166 . 1 1 92 92 HIS H H 1 8.4430 0.02 . 1 . . . . . 92 HIS H . 27098 1 1167 . 1 1 92 92 HIS HA H 1 4.6130 0.02 . 1 . . . . . 92 HIS HA . 27098 1 1168 . 1 1 92 92 HIS HB2 H 1 3.0500 0.02 . 2 . . . . . 92 HIS HB2 . 27098 1 1169 . 1 1 92 92 HIS HB3 H 1 3.0500 0.02 . 2 . . . . . 92 HIS HB3 . 27098 1 1170 . 1 1 92 92 HIS C C 13 174.5610 0.3 . 1 . . . . . 92 HIS C . 27098 1 1171 . 1 1 92 92 HIS CA C 13 55.8730 0.3 . 1 . . . . . 92 HIS CA . 27098 1 1172 . 1 1 92 92 HIS CB C 13 30.1450 0.3 . 1 . . . . . 92 HIS CB . 27098 1 1173 . 1 1 92 92 HIS N N 15 120.7110 0.2 . 1 . . . . . 92 HIS N . 27098 1 1174 . 1 1 96 96 HIS HA H 1 4.6330 0.02 . 1 . . . . . 96 HIS HA . 27098 1 1175 . 1 1 96 96 HIS HB2 H 1 3.1530 0.02 . 2 . . . . . 96 HIS HB2 . 27098 1 1176 . 1 1 96 96 HIS HB3 H 1 3.1530 0.02 . 2 . . . . . 96 HIS HB3 . 27098 1 1177 . 1 1 96 96 HIS CA C 13 56.0600 0.3 . 1 . . . . . 96 HIS CA . 27098 1 1178 . 1 1 96 96 HIS CB C 13 29.7800 0.3 . 1 . . . . . 96 HIS CB . 27098 1 1179 . 1 1 97 97 HIS H H 1 8.1410 0.02 . 1 . . . . . 97 HIS H . 27098 1 1180 . 1 1 97 97 HIS HA H 1 4.4440 0.02 . 1 . . . . . 97 HIS HA . 27098 1 1181 . 1 1 97 97 HIS HB2 H 1 3.2360 0.02 . 2 . . . . . 97 HIS HB2 . 27098 1 1182 . 1 1 97 97 HIS HB3 H 1 3.1040 0.02 . 2 . . . . . 97 HIS HB3 . 27098 1 1183 . 1 1 97 97 HIS C C 13 179.0110 0.3 . 1 . . . . . 97 HIS C . 27098 1 1184 . 1 1 97 97 HIS CA C 13 57.4550 0.3 . 1 . . . . . 97 HIS CA . 27098 1 1185 . 1 1 97 97 HIS CB C 13 30.0140 0.3 . 1 . . . . . 97 HIS CB . 27098 1 1186 . 1 1 97 97 HIS N N 15 125.3090 0.2 . 1 . . . . . 97 HIS N . 27098 1 stop_ save_