data_27595 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27595 _Entry.Title ; Sequential backbone resonance assignment of AT-rich interaction domain of BAF200 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-03 _Entry.Accession_date 2018-09-03 _Entry.Last_release_date 2018-09-04 _Entry.Original_release_date 2018-09-04 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Abhishek Bastiray . . . . 27595 2 Malyasree Giri . . . . 27595 3 Mahavir Singh . . . . 27595 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Mahavir Singh lab' . 27595 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27595 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 417 27595 '15N chemical shifts' 102 27595 '1H chemical shifts' 632 27595 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 . . 2019-04-11 2018-09-03 update BMRB 'update entry citation' 27595 1 . . 2018-12-12 2018-09-03 original author 'original release' 27595 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27595 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30535613 _Citation.Full_citation . _Citation.Title ; Sequential backbone resonance assignment of AT-rich interaction domain of human BAF200 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 115 _Citation.Page_last 119 _Citation.Year 2019 _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 Abhishek Bastiray . . . . 27595 1 2 Malyasree Giri . . . . 27595 1 3 Mahavir Singh . . . . 27595 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ARID 27595 1 BAF200 27595 1 'Backbone assignment' 27595 1 NMR 27595 1 'SWI/SNF complex' 27595 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27595 _Assembly.ID 1 _Assembly.Name 'BAF200 ARID monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13311.04 _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 'ARID monomer' 1 $BAF200_ARID A . yes native no no . . . 27595 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding domain' 27595 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BAF200_ARID _Entity.Sf_category entity _Entity.Sf_framecode BAF200_ARID _Entity.Entry_ID 27595 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BAF200_ARID _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 ; MANSTGKAPPDERRKGLAFL DELRQFHHSRGSPFKKIPAV GGKELDLHGLYTRVTTLGGF AKVSEKNQWGEIVEEFNFPR SCSNAAFALKQYYLRYLEKY EKVHHFGLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 107-115 represent a non-native residues L, E and six H of affinity tag. This is the ARID domain of BAF200 ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'AT rich interaction domain (ARID0' _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 Q68CP9 . ARID2 . . . . . . . . . . . . . . 27595 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA binding' 27595 1 'chromatin remodelling' 27595 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 . 27595 1 2 . ALA . 27595 1 3 . ASN . 27595 1 4 . SER . 27595 1 5 . THR . 27595 1 6 . GLY . 27595 1 7 . LYS . 27595 1 8 . ALA . 27595 1 9 . PRO . 27595 1 10 . PRO . 27595 1 11 . ASP . 27595 1 12 . GLU . 27595 1 13 . ARG . 27595 1 14 . ARG . 27595 1 15 . LYS . 27595 1 16 . GLY . 27595 1 17 . LEU . 27595 1 18 . ALA . 27595 1 19 . PHE . 27595 1 20 . LEU . 27595 1 21 . ASP . 27595 1 22 . GLU . 27595 1 23 . LEU . 27595 1 24 . ARG . 27595 1 25 . GLN . 27595 1 26 . PHE . 27595 1 27 . HIS . 27595 1 28 . HIS . 27595 1 29 . SER . 27595 1 30 . ARG . 27595 1 31 . GLY . 27595 1 32 . SER . 27595 1 33 . PRO . 27595 1 34 . PHE . 27595 1 35 . LYS . 27595 1 36 . LYS . 27595 1 37 . ILE . 27595 1 38 . PRO . 27595 1 39 . ALA . 27595 1 40 . VAL . 27595 1 41 . GLY . 27595 1 42 . GLY . 27595 1 43 . LYS . 27595 1 44 . GLU . 27595 1 45 . LEU . 27595 1 46 . ASP . 27595 1 47 . LEU . 27595 1 48 . HIS . 27595 1 49 . GLY . 27595 1 50 . LEU . 27595 1 51 . TYR . 27595 1 52 . THR . 27595 1 53 . ARG . 27595 1 54 . VAL . 27595 1 55 . THR . 27595 1 56 . THR . 27595 1 57 . LEU . 27595 1 58 . GLY . 27595 1 59 . GLY . 27595 1 60 . PHE . 27595 1 61 . ALA . 27595 1 62 . LYS . 27595 1 63 . VAL . 27595 1 64 . SER . 27595 1 65 . GLU . 27595 1 66 . LYS . 27595 1 67 . ASN . 27595 1 68 . GLN . 27595 1 69 . TRP . 27595 1 70 . GLY . 27595 1 71 . GLU . 27595 1 72 . ILE . 27595 1 73 . VAL . 27595 1 74 . GLU . 27595 1 75 . GLU . 27595 1 76 . PHE . 27595 1 77 . ASN . 27595 1 78 . PHE . 27595 1 79 . PRO . 27595 1 80 . ARG . 27595 1 81 . SER . 27595 1 82 . CYS . 27595 1 83 . SER . 27595 1 84 . ASN . 27595 1 85 . ALA . 27595 1 86 . ALA . 27595 1 87 . PHE . 27595 1 88 . ALA . 27595 1 89 . LEU . 27595 1 90 . LYS . 27595 1 91 . GLN . 27595 1 92 . TYR . 27595 1 93 . TYR . 27595 1 94 . LEU . 27595 1 95 . ARG . 27595 1 96 . TYR . 27595 1 97 . LEU . 27595 1 98 . GLU . 27595 1 99 . LYS . 27595 1 100 . TYR . 27595 1 101 . GLU . 27595 1 102 . LYS . 27595 1 103 . VAL . 27595 1 104 . HIS . 27595 1 105 . HIS . 27595 1 106 . PHE . 27595 1 107 . GLY . 27595 1 108 . LEU . 27595 1 109 . GLU . 27595 1 110 . HIS . 27595 1 111 . HIS . 27595 1 112 . HIS . 27595 1 113 . HIS . 27595 1 114 . HIS . 27595 1 115 . HIS . 27595 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 27595 1 . ALA 2 2 27595 1 . ASN 3 3 27595 1 . SER 4 4 27595 1 . THR 5 5 27595 1 . GLY 6 6 27595 1 . LYS 7 7 27595 1 . ALA 8 8 27595 1 . PRO 9 9 27595 1 . PRO 10 10 27595 1 . ASP 11 11 27595 1 . GLU 12 12 27595 1 . ARG 13 13 27595 1 . ARG 14 14 27595 1 . LYS 15 15 27595 1 . GLY 16 16 27595 1 . LEU 17 17 27595 1 . ALA 18 18 27595 1 . PHE 19 19 27595 1 . LEU 20 20 27595 1 . ASP 21 21 27595 1 . GLU 22 22 27595 1 . LEU 23 23 27595 1 . ARG 24 24 27595 1 . GLN 25 25 27595 1 . PHE 26 26 27595 1 . HIS 27 27 27595 1 . HIS 28 28 27595 1 . SER 29 29 27595 1 . ARG 30 30 27595 1 . GLY 31 31 27595 1 . SER 32 32 27595 1 . PRO 33 33 27595 1 . PHE 34 34 27595 1 . LYS 35 35 27595 1 . LYS 36 36 27595 1 . ILE 37 37 27595 1 . PRO 38 38 27595 1 . ALA 39 39 27595 1 . VAL 40 40 27595 1 . GLY 41 41 27595 1 . GLY 42 42 27595 1 . LYS 43 43 27595 1 . GLU 44 44 27595 1 . LEU 45 45 27595 1 . ASP 46 46 27595 1 . LEU 47 47 27595 1 . HIS 48 48 27595 1 . GLY 49 49 27595 1 . LEU 50 50 27595 1 . TYR 51 51 27595 1 . THR 52 52 27595 1 . ARG 53 53 27595 1 . VAL 54 54 27595 1 . THR 55 55 27595 1 . THR 56 56 27595 1 . LEU 57 57 27595 1 . GLY 58 58 27595 1 . GLY 59 59 27595 1 . PHE 60 60 27595 1 . ALA 61 61 27595 1 . LYS 62 62 27595 1 . VAL 63 63 27595 1 . SER 64 64 27595 1 . GLU 65 65 27595 1 . LYS 66 66 27595 1 . ASN 67 67 27595 1 . GLN 68 68 27595 1 . TRP 69 69 27595 1 . GLY 70 70 27595 1 . GLU 71 71 27595 1 . ILE 72 72 27595 1 . VAL 73 73 27595 1 . GLU 74 74 27595 1 . GLU 75 75 27595 1 . PHE 76 76 27595 1 . ASN 77 77 27595 1 . PHE 78 78 27595 1 . PRO 79 79 27595 1 . ARG 80 80 27595 1 . SER 81 81 27595 1 . CYS 82 82 27595 1 . SER 83 83 27595 1 . ASN 84 84 27595 1 . ALA 85 85 27595 1 . ALA 86 86 27595 1 . PHE 87 87 27595 1 . ALA 88 88 27595 1 . LEU 89 89 27595 1 . LYS 90 90 27595 1 . GLN 91 91 27595 1 . TYR 92 92 27595 1 . TYR 93 93 27595 1 . LEU 94 94 27595 1 . ARG 95 95 27595 1 . TYR 96 96 27595 1 . LEU 97 97 27595 1 . GLU 98 98 27595 1 . LYS 99 99 27595 1 . TYR 100 100 27595 1 . GLU 101 101 27595 1 . LYS 102 102 27595 1 . VAL 103 103 27595 1 . HIS 104 104 27595 1 . HIS 105 105 27595 1 . PHE 106 106 27595 1 . GLY 107 107 27595 1 . LEU 108 108 27595 1 . GLU 109 109 27595 1 . HIS 110 110 27595 1 . HIS 111 111 27595 1 . HIS 112 112 27595 1 . HIS 113 113 27595 1 . HIS 114 114 27595 1 . HIS 115 115 27595 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 27595 _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 $BAF200_ARID . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27595 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 27595 _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 $BAF200_ARID . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3) . . . . pET21a . . . 27595 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27595 _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 'BAF200 ARID' '[U-99% 15N]' . . 1 $BAF200_ARID . . 0.5 . . mM 0.1 . . . 27595 1 2 D2O [U-2H] . . . . . . 10 . . % 0.1 . . . 27595 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 27595 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 27595 1 5 DTT 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 27595 1 6 H2O 'natural abundance' . . . . . . 90 . . % 0.1 . . . 27595 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27595 _Sample.ID 2 _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 'BAF200 ARID' '[U-99% 13C; U-99% 15N]' . . 1 $BAF200_ARID . . 0.6 . . mM 0.1 . . . 27595 2 2 D2O [U-2H] . . . . . . 10 . . % 0.1 . . . 27595 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 27595 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 27595 2 5 DTT 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 27595 2 6 H2O 'natural abundance' . . . . . . 90 . . % 0.1 . . . 27595 2 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 27595 _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' 50 . mM 27595 1 pH 6.5 . pH 27595 1 pressure 1 . atm 27595 1 temperature 298 . K 27595 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27595 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27595 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27595 1 'data analysis' 27595 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27595 _Software.ID 2 _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' . . 27595 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27595 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27595 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27595 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27595 3 'chemical shift calculation' 27595 3 'data analysis' 27595 3 'peak picking' 27595 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 27595 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 27595 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27595 4 'dihedral angles' 27595 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 27595 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '600 MHz Agilent DDS2' _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DRX _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 27595 _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 Agilent DRX . 600 '600 MHz Agilent DDS2' . . 27595 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 27595 _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_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27595 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27595 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27595 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27595 1 5 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27595 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 27595 _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 . . . . . 27595 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27595 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27595 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 27595 _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' . . . 27595 1 2 '3D CBCA(CO)NH' . . . 27595 1 3 '3D HNCACB' . . . 27595 1 4 '3D HNCO' . . . 27595 1 5 '3D HCACO' . . . 27595 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 27595 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 1 1 MET HA H 1 4.335 0.02 . 1 . . . . . 1 MET HA . 27595 1 2 . 1 1 1 1 MET HB2 H 1 2.044 0.00 . 2 . . . . . 1 MET HB2 . 27595 1 3 . 1 1 1 1 MET HB3 H 1 1.777 0.00 . 2 . . . . . 1 MET HB3 . 27595 1 4 . 1 1 1 1 MET HE1 H 1 1.362 0.00 . 1 . . . . . 1 MET HE . 27595 1 5 . 1 1 1 1 MET HE2 H 1 1.362 0.00 . 1 . . . . . 1 MET HE . 27595 1 6 . 1 1 1 1 MET HE3 H 1 1.362 0.00 . 1 . . . . . 1 MET HE . 27595 1 7 . 1 1 1 1 MET C C 13 177.331 0.04 . 1 . . . . . 1 MET C . 27595 1 8 . 1 1 1 1 MET CA C 13 55.781 0.48 . 1 . . . . . 1 MET CA . 27595 1 9 . 1 1 1 1 MET CB C 13 42.304 0.23 . 1 . . . . . 1 MET CB . 27595 1 10 . 1 1 1 1 MET CG C 13 32.675 0.00 . 1 . . . . . 1 MET CG . 27595 1 11 . 1 1 2 2 ALA H H 1 8.238 0.07 . 1 . . . . . 2 ALA H . 27595 1 12 . 1 1 2 2 ALA CA C 13 52.846 0.08 . 1 . . . . . 2 ALA CA . 27595 1 13 . 1 1 2 2 ALA CB C 13 19.178 0.17 . 1 . . . . . 2 ALA CB . 27595 1 14 . 1 1 2 2 ALA N N 15 124.035 0.86 . 1 . . . . . 2 ALA N . 27595 1 15 . 1 1 3 3 ASN H H 1 8.021 0.01 . 1 . . . . . 3 ASN H . 27595 1 16 . 1 1 3 3 ASN HA H 1 4.412 0.02 . 1 . . . . . 3 ASN HA . 27595 1 17 . 1 1 3 3 ASN HB2 H 1 2.921 0.03 . 2 . . . . . 3 ASN HB2 . 27595 1 18 . 1 1 3 3 ASN HB3 H 1 2.922 0.03 . 2 . . . . . 3 ASN HB3 . 27595 1 19 . 1 1 3 3 ASN C C 13 174.373 0.06 . 1 . . . . . 3 ASN C . 27595 1 20 . 1 1 3 3 ASN CA C 13 54.168 0.56 . 1 . . . . . 3 ASN CA . 27595 1 21 . 1 1 3 3 ASN CB C 13 40.332 0.65 . 1 . . . . . 3 ASN CB . 27595 1 22 . 1 1 3 3 ASN N N 15 118.715 0.05 . 1 . . . . . 3 ASN N . 27595 1 23 . 1 1 4 4 SER H H 1 8.533 0.00 . 1 . . . . . 4 SER H . 27595 1 24 . 1 1 4 4 SER HA H 1 4.518 0.00 . 1 . . . . . 4 SER HA . 27595 1 25 . 1 1 4 4 SER HB2 H 1 3.852 0.01 . 2 . . . . . 4 SER HB2 . 27595 1 26 . 1 1 4 4 SER HB3 H 1 3.852 0.01 . 2 . . . . . 4 SER HB3 . 27595 1 27 . 1 1 4 4 SER C C 13 175.281 0.02 . 1 . . . . . 4 SER C . 27595 1 28 . 1 1 4 4 SER CA C 13 58.376 0.14 . 1 . . . . . 4 SER CA . 27595 1 29 . 1 1 4 4 SER CB C 13 63.848 0.07 . 1 . . . . . 4 SER CB . 27595 1 30 . 1 1 4 4 SER N N 15 121.685 0.05 . 1 . . . . . 4 SER N . 27595 1 31 . 1 1 5 5 THR H H 1 8.301 0.00 . 1 . . . . . 5 THR H . 27595 1 32 . 1 1 5 5 THR HA H 1 4.318 0.03 . 1 . . . . . 5 THR HA . 27595 1 33 . 1 1 5 5 THR HB H 1 4.107 0.00 . 1 . . . . . 5 THR HB . 27595 1 34 . 1 1 5 5 THR C C 13 175.175 0.03 . 1 . . . . . 5 THR C . 27595 1 35 . 1 1 5 5 THR CA C 13 62.165 0.05 . 1 . . . . . 5 THR CA . 27595 1 36 . 1 1 5 5 THR CB C 13 69.660 0.07 . 1 . . . . . 5 THR CB . 27595 1 37 . 1 1 5 5 THR N N 15 115.264 0.04 . 1 . . . . . 5 THR N . 27595 1 38 . 1 1 6 6 GLY H H 1 8.359 0.00 . 1 . . . . . 6 GLY H . 27595 1 39 . 1 1 6 6 GLY HA2 H 1 4.103 0.01 . 2 . . . . . 6 GLY HA2 . 27595 1 40 . 1 1 6 6 GLY HA3 H 1 3.588 0.01 . 2 . . . . . 6 GLY HA3 . 27595 1 41 . 1 1 6 6 GLY C C 13 173.601 0.12 . 1 . . . . . 6 GLY C . 27595 1 42 . 1 1 6 6 GLY CA C 13 45.073 0.18 . 1 . . . . . 6 GLY CA . 27595 1 43 . 1 1 6 6 GLY N N 15 111.152 0.11 . 1 . . . . . 6 GLY N . 27595 1 44 . 1 1 7 7 LYS H H 1 7.543 0.00 . 1 . . . . . 7 LYS H . 27595 1 45 . 1 1 7 7 LYS HA H 1 4.305 0.03 . 1 . . . . . 7 LYS HA . 27595 1 46 . 1 1 7 7 LYS HB2 H 1 1.713 0.04 . 2 . . . . . 7 LYS HB2 . 27595 1 47 . 1 1 7 7 LYS HB3 H 1 1.606 0.18 . 2 . . . . . 7 LYS HB3 . 27595 1 48 . 1 1 7 7 LYS HG2 H 1 1.446 0.00 . 2 . . . . . 7 LYS HG2 . 27595 1 49 . 1 1 7 7 LYS HG3 H 1 1.444 0.00 . 2 . . . . . 7 LYS HG3 . 27595 1 50 . 1 1 7 7 LYS HE2 H 1 2.986 0.00 . 2 . . . . . 7 LYS HE2 . 27595 1 51 . 1 1 7 7 LYS HE3 H 1 2.986 0.00 . 2 . . . . . 7 LYS HE3 . 27595 1 52 . 1 1 7 7 LYS C C 13 175.079 0.04 . 1 . . . . . 7 LYS C . 27595 1 53 . 1 1 7 7 LYS CA C 13 55.826 0.50 . 1 . . . . . 7 LYS CA . 27595 1 54 . 1 1 7 7 LYS CB C 13 33.646 0.45 . 1 . . . . . 7 LYS CB . 27595 1 55 . 1 1 7 7 LYS CG C 13 24.505 0.05 . 1 . . . . . 7 LYS CG . 27595 1 56 . 1 1 7 7 LYS CD C 13 29.173 0.08 . 1 . . . . . 7 LYS CD . 27595 1 57 . 1 1 7 7 LYS CE C 13 42.362 0.28 . 1 . . . . . 7 LYS CE . 27595 1 58 . 1 1 7 7 LYS N N 15 120.437 0.09 . 1 . . . . . 7 LYS N . 27595 1 59 . 1 1 8 8 ALA H H 1 8.456 0.05 . 1 . . . . . 8 ALA H . 27595 1 60 . 1 1 8 8 ALA C C 13 176.086 0.00 . 1 . . . . . 8 ALA C . 27595 1 61 . 1 1 8 8 ALA CA C 13 50.574 0.00 . 1 . . . . . 8 ALA CA . 27595 1 62 . 1 1 8 8 ALA CB C 13 18.216 0.00 . 1 . . . . . 8 ALA CB . 27595 1 63 . 1 1 8 8 ALA N N 15 127.469 0.19 . 1 . . . . . 8 ALA N . 27595 1 64 . 1 1 10 10 PRO HA H 1 4.219 0.30 . 1 . . . . . 10 PRO HA . 27595 1 65 . 1 1 10 10 PRO HB2 H 1 2.276 0.02 . 2 . . . . . 10 PRO HB2 . 27595 1 66 . 1 1 10 10 PRO HB3 H 1 1.963 0.07 . 2 . . . . . 10 PRO HB3 . 27595 1 67 . 1 1 10 10 PRO HG2 H 1 1.942 0.04 . 2 . . . . . 10 PRO HG2 . 27595 1 68 . 1 1 10 10 PRO HG3 H 1 1.919 0.07 . 2 . . . . . 10 PRO HG3 . 27595 1 69 . 1 1 10 10 PRO HD2 H 1 4.062 0.30 . 2 . . . . . 10 PRO HD2 . 27595 1 70 . 1 1 10 10 PRO HD3 H 1 4.069 0.31 . 2 . . . . . 10 PRO HD3 . 27595 1 71 . 1 1 10 10 PRO C C 13 176.861 0.00 . 1 . . . . . 10 PRO C . 27595 1 72 . 1 1 10 10 PRO CA C 13 63.507 0.05 . 1 . . . . . 10 PRO CA . 27595 1 73 . 1 1 10 10 PRO CB C 13 32.110 0.06 . 1 . . . . . 10 PRO CB . 27595 1 74 . 1 1 10 10 PRO CG C 13 27.588 0.00 . 1 . . . . . 10 PRO CG . 27595 1 75 . 1 1 10 10 PRO CD C 13 50.490 0.00 . 1 . . . . . 10 PRO CD . 27595 1 76 . 1 1 11 11 ASP H H 1 8.401 0.00 . 1 . . . . . 11 ASP H . 27595 1 77 . 1 1 11 11 ASP HA H 1 4.538 0.01 . 1 . . . . . 11 ASP HA . 27595 1 78 . 1 1 11 11 ASP HB2 H 1 2.679 0.01 . 2 . . . . . 11 ASP HB2 . 27595 1 79 . 1 1 11 11 ASP HB3 H 1 2.651 0.03 . 2 . . . . . 11 ASP HB3 . 27595 1 80 . 1 1 11 11 ASP HD2 H 1 6.675 0.00 . 1 . . . . . 11 ASP HD2 . 27595 1 81 . 1 1 11 11 ASP C C 13 176.839 0.02 . 1 . . . . . 11 ASP C . 27595 1 82 . 1 1 11 11 ASP CA C 13 54.532 0.04 . 1 . . . . . 11 ASP CA . 27595 1 83 . 1 1 11 11 ASP CB C 13 41.184 0.06 . 1 . . . . . 11 ASP CB . 27595 1 84 . 1 1 11 11 ASP N N 15 120.065 0.16 . 1 . . . . . 11 ASP N . 27595 1 85 . 1 1 12 12 GLU H H 1 8.440 0.01 . 1 . . . . . 12 GLU H . 27595 1 86 . 1 1 12 12 GLU HA H 1 4.189 0.01 . 1 . . . . . 12 GLU HA . 27595 1 87 . 1 1 12 12 GLU HB2 H 1 2.063 0.14 . 2 . . . . . 12 GLU HB2 . 27595 1 88 . 1 1 12 12 GLU HB3 H 1 1.964 0.01 . 2 . . . . . 12 GLU HB3 . 27595 1 89 . 1 1 12 12 GLU HG2 H 1 2.269 0.00 . 2 . . . . . 12 GLU HG2 . 27595 1 90 . 1 1 12 12 GLU HG3 H 1 2.269 0.00 . 2 . . . . . 12 GLU HG3 . 27595 1 91 . 1 1 12 12 GLU C C 13 177.420 0.11 . 1 . . . . . 12 GLU C . 27595 1 92 . 1 1 12 12 GLU CA C 13 57.607 0.08 . 1 . . . . . 12 GLU CA . 27595 1 93 . 1 1 12 12 GLU CB C 13 30.097 0.10 . 1 . . . . . 12 GLU CB . 27595 1 94 . 1 1 12 12 GLU CG C 13 36.209 0.00 . 1 . . . . . 12 GLU CG . 27595 1 95 . 1 1 12 12 GLU N N 15 122.085 0.04 . 1 . . . . . 12 GLU N . 27595 1 96 . 1 1 13 13 ARG H H 1 8.288 0.00 . 1 . . . . . 13 ARG H . 27595 1 97 . 1 1 13 13 ARG HA H 1 4.252 0.01 . 1 . . . . . 13 ARG HA . 27595 1 98 . 1 1 13 13 ARG HB2 H 1 1.820 0.01 . 2 . . . . . 13 ARG HB2 . 27595 1 99 . 1 1 13 13 ARG HB3 H 1 1.630 0.02 . 2 . . . . . 13 ARG HB3 . 27595 1 100 . 1 1 13 13 ARG HD2 H 1 3.210 0.00 . 2 . . . . . 13 ARG HD2 . 27595 1 101 . 1 1 13 13 ARG HD3 H 1 3.210 0.00 . 2 . . . . . 13 ARG HD3 . 27595 1 102 . 1 1 13 13 ARG HE H 1 8.821 0.00 . 1 . . . . . 13 ARG HE . 27595 1 103 . 1 1 13 13 ARG C C 13 175.055 1.58 . 1 . . . . . 13 ARG C . 27595 1 104 . 1 1 13 13 ARG CA C 13 57.405 0.08 . 1 . . . . . 13 ARG CA . 27595 1 105 . 1 1 13 13 ARG CB C 13 30.296 0.06 . 1 . . . . . 13 ARG CB . 27595 1 106 . 1 1 13 13 ARG CG C 13 27.251 0.00 . 1 . . . . . 13 ARG CG . 27595 1 107 . 1 1 13 13 ARG CD C 13 43.283 0.00 . 1 . . . . . 13 ARG CD . 27595 1 108 . 1 1 13 13 ARG N N 15 121.051 0.04 . 1 . . . . . 13 ARG N . 27595 1 109 . 1 1 14 14 ARG H H 1 8.168 0.02 . 1 . . . . . 14 ARG H . 27595 1 110 . 1 1 14 14 ARG HA H 1 4.183 0.02 . 1 . . . . . 14 ARG HA . 27595 1 111 . 1 1 14 14 ARG HB2 H 1 1.770 0.07 . 2 . . . . . 14 ARG HB2 . 27595 1 112 . 1 1 14 14 ARG HB3 H 1 1.832 0.01 . 2 . . . . . 14 ARG HB3 . 27595 1 113 . 1 1 14 14 ARG HG2 H 1 1.671 0.00 . 2 . . . . . 14 ARG HG2 . 27595 1 114 . 1 1 14 14 ARG HG3 H 1 1.671 0.00 . 2 . . . . . 14 ARG HG3 . 27595 1 115 . 1 1 14 14 ARG HD2 H 1 3.210 0.00 . 2 . . . . . 14 ARG HD2 . 27595 1 116 . 1 1 14 14 ARG HD3 H 1 3.210 0.00 . 2 . . . . . 14 ARG HD3 . 27595 1 117 . 1 1 14 14 ARG HH11 H 1 6.564 0.00 . 2 . . . . . 14 ARG HH11 . 27595 1 118 . 1 1 14 14 ARG HH12 H 1 6.564 0.00 . 2 . . . . . 14 ARG HH12 . 27595 1 119 . 1 1 14 14 ARG HH21 H 1 6.564 0.00 . 2 . . . . . 14 ARG HH21 . 27595 1 120 . 1 1 14 14 ARG HH22 H 1 6.564 0.00 . 2 . . . . . 14 ARG HH22 . 27595 1 121 . 1 1 14 14 ARG C C 13 178.015 0.81 . 1 . . . . . 14 ARG C . 27595 1 122 . 1 1 14 14 ARG CA C 13 57.616 0.19 . 1 . . . . . 14 ARG CA . 27595 1 123 . 1 1 14 14 ARG CB C 13 30.336 0.08 . 1 . . . . . 14 ARG CB . 27595 1 124 . 1 1 14 14 ARG CG C 13 27.501 0.00 . 1 . . . . . 14 ARG CG . 27595 1 125 . 1 1 14 14 ARG CD C 13 43.300 0.00 . 1 . . . . . 14 ARG CD . 27595 1 126 . 1 1 14 14 ARG N N 15 121.391 1.86 . 1 . . . . . 14 ARG N . 27595 1 127 . 1 1 15 15 LYS H H 1 8.242 0.01 . 1 . . . . . 15 LYS H . 27595 1 128 . 1 1 15 15 LYS HA H 1 4.128 0.01 . 1 . . . . . 15 LYS HA . 27595 1 129 . 1 1 15 15 LYS HB2 H 1 1.730 0.01 . 2 . . . . . 15 LYS HB2 . 27595 1 130 . 1 1 15 15 LYS HB3 H 1 1.716 0.02 . 2 . . . . . 15 LYS HB3 . 27595 1 131 . 1 1 15 15 LYS HG2 H 1 1.420 0.00 . 2 . . . . . 15 LYS HG2 . 27595 1 132 . 1 1 15 15 LYS HG3 H 1 1.420 0.00 . 2 . . . . . 15 LYS HG3 . 27595 1 133 . 1 1 15 15 LYS HE2 H 1 2.972 0.00 . 2 . . . . . 15 LYS HE2 . 27595 1 134 . 1 1 15 15 LYS HE3 H 1 2.976 0.00 . 2 . . . . . 15 LYS HE3 . 27595 1 135 . 1 1 15 15 LYS C C 13 178.254 0.02 . 1 . . . . . 15 LYS C . 27595 1 136 . 1 1 15 15 LYS CA C 13 58.096 0.07 . 1 . . . . . 15 LYS CA . 27595 1 137 . 1 1 15 15 LYS CB C 13 32.718 0.05 . 1 . . . . . 15 LYS CB . 27595 1 138 . 1 1 15 15 LYS CG C 13 24.810 0.00 . 1 . . . . . 15 LYS CG . 27595 1 139 . 1 1 15 15 LYS CD C 13 29.265 0.00 . 1 . . . . . 15 LYS CD . 27595 1 140 . 1 1 15 15 LYS CE C 13 42.154 0.00 . 1 . . . . . 15 LYS CE . 27595 1 141 . 1 1 15 15 LYS N N 15 121.442 0.08 . 1 . . . . . 15 LYS N . 27595 1 142 . 1 1 16 16 GLY H H 1 8.358 0.00 . 1 . . . . . 16 GLY H . 27595 1 143 . 1 1 16 16 GLY HA2 H 1 3.934 0.00 . 2 . . . . . 16 GLY HA2 . 27595 1 144 . 1 1 16 16 GLY HA3 H 1 3.645 0.01 . 2 . . . . . 16 GLY HA3 . 27595 1 145 . 1 1 16 16 GLY C C 13 175.295 0.00 . 1 . . . . . 16 GLY C . 27595 1 146 . 1 1 16 16 GLY CA C 13 46.489 0.03 . 1 . . . . . 16 GLY CA . 27595 1 147 . 1 1 16 16 GLY N N 15 109.134 0.08 . 1 . . . . . 16 GLY N . 27595 1 148 . 1 1 17 17 LEU H H 1 7.925 0.00 . 1 . . . . . 17 LEU H . 27595 1 149 . 1 1 17 17 LEU HA H 1 4.266 0.02 . 1 . . . . . 17 LEU HA . 27595 1 150 . 1 1 17 17 LEU HB2 H 1 1.638 0.04 . 2 . . . . . 17 LEU HB2 . 27595 1 151 . 1 1 17 17 LEU HB3 H 1 1.609 0.03 . 2 . . . . . 17 LEU HB3 . 27595 1 152 . 1 1 17 17 LEU HG H 1 1.657 0.00 . 1 . . . . . 17 LEU HG . 27595 1 153 . 1 1 17 17 LEU HD11 H 1 0.889 0.00 . 2 . . . . . 17 LEU HD1 . 27595 1 154 . 1 1 17 17 LEU HD12 H 1 0.889 0.00 . 2 . . . . . 17 LEU HD1 . 27595 1 155 . 1 1 17 17 LEU HD13 H 1 0.889 0.00 . 2 . . . . . 17 LEU HD1 . 27595 1 156 . 1 1 17 17 LEU HD21 H 1 0.889 0.00 . 2 . . . . . 17 LEU HD2 . 27595 1 157 . 1 1 17 17 LEU HD22 H 1 0.889 0.00 . 2 . . . . . 17 LEU HD2 . 27595 1 158 . 1 1 17 17 LEU HD23 H 1 0.889 0.00 . 2 . . . . . 17 LEU HD2 . 27595 1 159 . 1 1 17 17 LEU C C 13 178.541 0.03 . 1 . . . . . 17 LEU C . 27595 1 160 . 1 1 17 17 LEU CA C 13 56.727 0.06 . 1 . . . . . 17 LEU CA . 27595 1 161 . 1 1 17 17 LEU CB C 13 42.151 0.05 . 1 . . . . . 17 LEU CB . 27595 1 162 . 1 1 17 17 LEU CG C 13 27.110 0.00 . 1 . . . . . 17 LEU CG . 27595 1 163 . 1 1 17 17 LEU CD1 C 13 25.129 0.00 . 2 . . . . . 17 LEU CD1 . 27595 1 164 . 1 1 17 17 LEU CD2 C 13 23.111 0.00 . 2 . . . . . 17 LEU CD2 . 27595 1 165 . 1 1 17 17 LEU N N 15 122.229 0.06 . 1 . . . . . 17 LEU N . 27595 1 166 . 1 1 18 18 ALA H H 1 8.304 0.00 . 1 . . . . . 18 ALA H . 27595 1 167 . 1 1 18 18 ALA HA H 1 4.268 0.02 . 1 . . . . . 18 ALA HA . 27595 1 168 . 1 1 18 18 ALA HB1 H 1 1.715 0.16 . 1 . . . . . 18 ALA HB . 27595 1 169 . 1 1 18 18 ALA HB2 H 1 1.715 0.16 . 1 . . . . . 18 ALA HB . 27595 1 170 . 1 1 18 18 ALA HB3 H 1 1.715 0.16 . 1 . . . . . 18 ALA HB . 27595 1 171 . 1 1 18 18 ALA C C 13 179.596 0.01 . 1 . . . . . 18 ALA C . 27595 1 172 . 1 1 18 18 ALA CA C 13 53.982 0.06 . 1 . . . . . 18 ALA CA . 27595 1 173 . 1 1 18 18 ALA CB C 13 18.302 0.12 . 1 . . . . . 18 ALA CB . 27595 1 174 . 1 1 18 18 ALA N N 15 123.783 0.05 . 1 . . . . . 18 ALA N . 27595 1 175 . 1 1 19 19 PHE H H 1 8.190 0.01 . 1 . . . . . 19 PHE H . 27595 1 176 . 1 1 19 19 PHE HA H 1 4.153 0.01 . 1 . . . . . 19 PHE HA . 27595 1 177 . 1 1 19 19 PHE HB2 H 1 2.825 0.03 . 2 . . . . . 19 PHE HB2 . 27595 1 178 . 1 1 19 19 PHE HB3 H 1 2.866 0.04 . 2 . . . . . 19 PHE HB3 . 27595 1 179 . 1 1 19 19 PHE HD1 H 1 6.941 0.00 . 3 . . . . . 19 PHE HD1 . 27595 1 180 . 1 1 19 19 PHE HD2 H 1 6.941 0.00 . 3 . . . . . 19 PHE HD2 . 27595 1 181 . 1 1 19 19 PHE C C 13 176.560 0.01 . 1 . . . . . 19 PHE C . 27595 1 182 . 1 1 19 19 PHE CA C 13 61.409 0.04 . 1 . . . . . 19 PHE CA . 27595 1 183 . 1 1 19 19 PHE CB C 13 39.099 0.08 . 1 . . . . . 19 PHE CB . 27595 1 184 . 1 1 19 19 PHE N N 15 120.957 0.03 . 1 . . . . . 19 PHE N . 27595 1 185 . 1 1 20 20 LEU H H 1 8.221 0.00 . 1 . . . . . 20 LEU H . 27595 1 186 . 1 1 20 20 LEU HA H 1 3.772 0.01 . 1 . . . . . 20 LEU HA . 27595 1 187 . 1 1 20 20 LEU HB2 H 1 1.880 0.02 . 2 . . . . . 20 LEU HB2 . 27595 1 188 . 1 1 20 20 LEU HB3 H 1 1.581 0.03 . 2 . . . . . 20 LEU HB3 . 27595 1 189 . 1 1 20 20 LEU HG H 1 1.607 0.00 . 1 . . . . . 20 LEU HG . 27595 1 190 . 1 1 20 20 LEU HD11 H 1 1.030 0.00 . 2 . . . . . 20 LEU HD1 . 27595 1 191 . 1 1 20 20 LEU HD12 H 1 1.030 0.00 . 2 . . . . . 20 LEU HD1 . 27595 1 192 . 1 1 20 20 LEU HD13 H 1 1.030 0.00 . 2 . . . . . 20 LEU HD1 . 27595 1 193 . 1 1 20 20 LEU HD21 H 1 1.030 0.00 . 2 . . . . . 20 LEU HD2 . 27595 1 194 . 1 1 20 20 LEU HD22 H 1 1.030 0.00 . 2 . . . . . 20 LEU HD2 . 27595 1 195 . 1 1 20 20 LEU HD23 H 1 1.030 0.00 . 2 . . . . . 20 LEU HD2 . 27595 1 196 . 1 1 20 20 LEU C C 13 178.837 0.02 . 1 . . . . . 20 LEU C . 27595 1 197 . 1 1 20 20 LEU CA C 13 57.848 0.07 . 1 . . . . . 20 LEU CA . 27595 1 198 . 1 1 20 20 LEU CB C 13 41.526 0.04 . 1 . . . . . 20 LEU CB . 27595 1 199 . 1 1 20 20 LEU CG C 13 27.365 0.00 . 1 . . . . . 20 LEU CG . 27595 1 200 . 1 1 20 20 LEU CD1 C 13 24.454 0.00 . 2 . . . . . 20 LEU CD1 . 27595 1 201 . 1 1 20 20 LEU CD2 C 13 24.454 0.00 . 2 . . . . . 20 LEU CD2 . 27595 1 202 . 1 1 20 20 LEU N N 15 118.124 0.06 . 1 . . . . . 20 LEU N . 27595 1 203 . 1 1 21 21 ASP H H 1 7.553 0.00 . 1 . . . . . 21 ASP H . 27595 1 204 . 1 1 21 21 ASP HA H 1 4.402 0.02 . 1 . . . . . 21 ASP HA . 27595 1 205 . 1 1 21 21 ASP HB2 H 1 2.688 0.02 . 2 . . . . . 21 ASP HB2 . 27595 1 206 . 1 1 21 21 ASP HB3 H 1 2.689 0.02 . 2 . . . . . 21 ASP HB3 . 27595 1 207 . 1 1 21 21 ASP C C 13 176.999 0.00 . 1 . . . . . 21 ASP C . 27595 1 208 . 1 1 21 21 ASP CA C 13 57.660 0.03 . 1 . . . . . 21 ASP CA . 27595 1 209 . 1 1 21 21 ASP CB C 13 40.664 0.09 . 1 . . . . . 21 ASP CB . 27595 1 210 . 1 1 21 21 ASP N N 15 118.350 0.05 . 1 . . . . . 21 ASP N . 27595 1 211 . 1 1 22 22 GLU H H 1 7.928 0.00 . 1 . . . . . 22 GLU H . 27595 1 212 . 1 1 22 22 GLU HA H 1 3.959 0.02 . 1 . . . . . 22 GLU HA . 27595 1 213 . 1 1 22 22 GLU HB2 H 1 1.962 0.02 . 2 . . . . . 22 GLU HB2 . 27595 1 214 . 1 1 22 22 GLU HB3 H 1 1.997 0.06 . 2 . . . . . 22 GLU HB3 . 27595 1 215 . 1 1 22 22 GLU HG2 H 1 2.268 0.08 . 2 . . . . . 22 GLU HG2 . 27595 1 216 . 1 1 22 22 GLU HG3 H 1 2.333 0.01 . 2 . . . . . 22 GLU HG3 . 27595 1 217 . 1 1 22 22 GLU C C 13 179.413 0.09 . 1 . . . . . 22 GLU C . 27595 1 218 . 1 1 22 22 GLU CA C 13 59.438 0.05 . 1 . . . . . 22 GLU CA . 27595 1 219 . 1 1 22 22 GLU CB C 13 29.030 0.08 . 1 . . . . . 22 GLU CB . 27595 1 220 . 1 1 22 22 GLU CG C 13 36.505 0.00 . 1 . . . . . 22 GLU CG . 27595 1 221 . 1 1 22 22 GLU N N 15 122.137 0.05 . 1 . . . . . 22 GLU N . 27595 1 222 . 1 1 23 23 LEU H H 1 8.622 0.00 . 1 . . . . . 23 LEU H . 27595 1 223 . 1 1 23 23 LEU HA H 1 3.721 0.01 . 1 . . . . . 23 LEU HA . 27595 1 224 . 1 1 23 23 LEU HB2 H 1 1.493 0.04 . 2 . . . . . 23 LEU HB2 . 27595 1 225 . 1 1 23 23 LEU HB3 H 1 1.211 0.38 . 2 . . . . . 23 LEU HB3 . 27595 1 226 . 1 1 23 23 LEU HG H 1 1.520 0.00 . 1 . . . . . 23 LEU HG . 27595 1 227 . 1 1 23 23 LEU HD11 H 1 0.510 0.00 . 2 . . . . . 23 LEU HD1 . 27595 1 228 . 1 1 23 23 LEU HD12 H 1 0.510 0.00 . 2 . . . . . 23 LEU HD1 . 27595 1 229 . 1 1 23 23 LEU HD13 H 1 0.510 0.00 . 2 . . . . . 23 LEU HD1 . 27595 1 230 . 1 1 23 23 LEU HD21 H 1 0.510 0.00 . 2 . . . . . 23 LEU HD2 . 27595 1 231 . 1 1 23 23 LEU HD22 H 1 0.510 0.00 . 2 . . . . . 23 LEU HD2 . 27595 1 232 . 1 1 23 23 LEU HD23 H 1 0.510 0.00 . 2 . . . . . 23 LEU HD2 . 27595 1 233 . 1 1 23 23 LEU C C 13 179.357 0.07 . 1 . . . . . 23 LEU C . 27595 1 234 . 1 1 23 23 LEU CA C 13 57.360 0.04 . 1 . . . . . 23 LEU CA . 27595 1 235 . 1 1 23 23 LEU CB C 13 42.152 0.03 . 1 . . . . . 23 LEU CB . 27595 1 236 . 1 1 23 23 LEU CG C 13 25.762 0.00 . 1 . . . . . 23 LEU CG . 27595 1 237 . 1 1 23 23 LEU CD1 C 13 23.046 0.00 . 2 . . . . . 23 LEU CD1 . 27595 1 238 . 1 1 23 23 LEU CD2 C 13 23.046 0.00 . 2 . . . . . 23 LEU CD2 . 27595 1 239 . 1 1 23 23 LEU N N 15 122.775 0.06 . 1 . . . . . 23 LEU N . 27595 1 240 . 1 1 24 24 ARG H H 1 8.597 0.00 . 1 . . . . . 24 ARG H . 27595 1 241 . 1 1 24 24 ARG HA H 1 3.729 0.00 . 1 . . . . . 24 ARG HA . 27595 1 242 . 1 1 24 24 ARG HB2 H 1 1.657 0.00 . 2 . . . . . 24 ARG HB2 . 27595 1 243 . 1 1 24 24 ARG HB3 H 1 1.663 0.00 . 2 . . . . . 24 ARG HB3 . 27595 1 244 . 1 1 24 24 ARG HG2 H 1 1.005 0.00 . 2 . . . . . 24 ARG HG2 . 27595 1 245 . 1 1 24 24 ARG HG3 H 1 1.005 0.00 . 2 . . . . . 24 ARG HG3 . 27595 1 246 . 1 1 24 24 ARG HD2 H 1 3.080 0.00 . 2 . . . . . 24 ARG HD2 . 27595 1 247 . 1 1 24 24 ARG HD3 H 1 3.080 0.00 . 2 . . . . . 24 ARG HD3 . 27595 1 248 . 1 1 24 24 ARG C C 13 179.559 0.05 . 1 . . . . . 24 ARG C . 27595 1 249 . 1 1 24 24 ARG CA C 13 60.491 0.06 . 1 . . . . . 24 ARG CA . 27595 1 250 . 1 1 24 24 ARG CB C 13 29.689 0.51 . 1 . . . . . 24 ARG CB . 27595 1 251 . 1 1 24 24 ARG CD C 13 43.296 0.00 . 1 . . . . . 24 ARG CD . 27595 1 252 . 1 1 24 24 ARG N N 15 119.999 0.05 . 1 . . . . . 24 ARG N . 27595 1 253 . 1 1 25 25 GLN H H 1 7.954 0.00 . 1 . . . . . 25 GLN H . 27595 1 254 . 1 1 25 25 GLN HA H 1 4.147 0.01 . 1 . . . . . 25 GLN HA . 27595 1 255 . 1 1 25 25 GLN HB2 H 1 2.160 0.01 . 2 . . . . . 25 GLN HB2 . 27595 1 256 . 1 1 25 25 GLN HB3 H 1 2.154 0.00 . 2 . . . . . 25 GLN HB3 . 27595 1 257 . 1 1 25 25 GLN HG2 H 1 2.492 0.00 . 2 . . . . . 25 GLN HG2 . 27595 1 258 . 1 1 25 25 GLN HG3 H 1 2.492 0.00 . 2 . . . . . 25 GLN HG3 . 27595 1 259 . 1 1 25 25 GLN C C 13 178.115 0.04 . 1 . . . . . 25 GLN C . 27595 1 260 . 1 1 25 25 GLN CA C 13 59.029 0.03 . 1 . . . . . 25 GLN CA . 27595 1 261 . 1 1 25 25 GLN CB C 13 28.216 0.09 . 1 . . . . . 25 GLN CB . 27595 1 262 . 1 1 25 25 GLN CG C 13 33.895 0.00 . 1 . . . . . 25 GLN CG . 27595 1 263 . 1 1 25 25 GLN N N 15 119.381 0.04 . 1 . . . . . 25 GLN N . 27595 1 264 . 1 1 26 26 PHE H H 1 8.530 0.00 . 1 . . . . . 26 PHE H . 27595 1 265 . 1 1 26 26 PHE HA H 1 4.235 0.00 . 1 . . . . . 26 PHE HA . 27595 1 266 . 1 1 26 26 PHE HB2 H 1 3.423 0.02 . 2 . . . . . 26 PHE HB2 . 27595 1 267 . 1 1 26 26 PHE HB3 H 1 3.423 0.02 . 2 . . . . . 26 PHE HB3 . 27595 1 268 . 1 1 26 26 PHE HD1 H 1 7.281 0.00 . 3 . . . . . 26 PHE HD1 . 27595 1 269 . 1 1 26 26 PHE HD2 H 1 7.281 0.00 . 3 . . . . . 26 PHE HD2 . 27595 1 270 . 1 1 26 26 PHE C C 13 178.048 0.00 . 1 . . . . . 26 PHE C . 27595 1 271 . 1 1 26 26 PHE CA C 13 61.434 0.18 . 1 . . . . . 26 PHE CA . 27595 1 272 . 1 1 26 26 PHE CB C 13 39.006 0.08 . 1 . . . . . 26 PHE CB . 27595 1 273 . 1 1 26 26 PHE N N 15 122.847 0.08 . 1 . . . . . 26 PHE N . 27595 1 274 . 1 1 27 27 HIS H H 1 8.386 0.00 . 1 . . . . . 27 HIS H . 27595 1 275 . 1 1 27 27 HIS HA H 1 3.950 0.00 . 1 . . . . . 27 HIS HA . 27595 1 276 . 1 1 27 27 HIS HB2 H 1 3.032 0.02 . 2 . . . . . 27 HIS HB2 . 27595 1 277 . 1 1 27 27 HIS HB3 H 1 3.032 0.02 . 2 . . . . . 27 HIS HB3 . 27595 1 278 . 1 1 27 27 HIS C C 13 178.496 0.02 . 1 . . . . . 27 HIS C . 27595 1 279 . 1 1 27 27 HIS CA C 13 61.005 0.09 . 1 . . . . . 27 HIS CA . 27595 1 280 . 1 1 27 27 HIS CB C 13 30.750 0.11 . 1 . . . . . 27 HIS CB . 27595 1 281 . 1 1 27 27 HIS N N 15 118.831 0.08 . 1 . . . . . 27 HIS N . 27595 1 282 . 1 1 28 28 HIS H H 1 8.639 0.00 . 1 . . . . . 28 HIS H . 27595 1 283 . 1 1 28 28 HIS HA H 1 4.190 0.01 . 1 . . . . . 28 HIS HA . 27595 1 284 . 1 1 28 28 HIS HB2 H 1 3.232 0.01 . 2 . . . . . 28 HIS HB2 . 27595 1 285 . 1 1 28 28 HIS HB3 H 1 3.238 0.01 . 2 . . . . . 28 HIS HB3 . 27595 1 286 . 1 1 28 28 HIS C C 13 179.446 0.01 . 1 . . . . . 28 HIS C . 27595 1 287 . 1 1 28 28 HIS CA C 13 60.694 0.03 . 1 . . . . . 28 HIS CA . 27595 1 288 . 1 1 28 28 HIS CB C 13 30.352 0.10 . 1 . . . . . 28 HIS CB . 27595 1 289 . 1 1 28 28 HIS N N 15 120.169 0.04 . 1 . . . . . 28 HIS N . 27595 1 290 . 1 1 29 29 SER H H 1 8.443 0.00 . 1 . . . . . 29 SER H . 27595 1 291 . 1 1 29 29 SER HA H 1 4.184 0.01 . 1 . . . . . 29 SER HA . 27595 1 292 . 1 1 29 29 SER HB2 H 1 3.978 0.03 . 2 . . . . . 29 SER HB2 . 27595 1 293 . 1 1 29 29 SER HB3 H 1 3.978 0.03 . 2 . . . . . 29 SER HB3 . 27595 1 294 . 1 1 29 29 SER C C 13 175.115 0.01 . 1 . . . . . 29 SER C . 27595 1 295 . 1 1 29 29 SER CA C 13 61.262 0.07 . 1 . . . . . 29 SER CA . 27595 1 296 . 1 1 29 29 SER CB C 13 63.074 0.10 . 1 . . . . . 29 SER CB . 27595 1 297 . 1 1 29 29 SER N N 15 114.947 0.07 . 1 . . . . . 29 SER N . 27595 1 298 . 1 1 30 30 ARG H H 1 7.210 0.00 . 1 . . . . . 30 ARG H . 27595 1 299 . 1 1 30 30 ARG HA H 1 4.314 0.03 . 1 . . . . . 30 ARG HA . 27595 1 300 . 1 1 30 30 ARG HB2 H 1 1.740 0.01 . 2 . . . . . 30 ARG HB2 . 27595 1 301 . 1 1 30 30 ARG HB3 H 1 1.420 0.01 . 2 . . . . . 30 ARG HB3 . 27595 1 302 . 1 1 30 30 ARG HG2 H 1 1.207 0.02 . 2 . . . . . 30 ARG HG2 . 27595 1 303 . 1 1 30 30 ARG HG3 H 1 1.154 0.04 . 2 . . . . . 30 ARG HG3 . 27595 1 304 . 1 1 30 30 ARG HD2 H 1 2.437 0.01 . 2 . . . . . 30 ARG HD2 . 27595 1 305 . 1 1 30 30 ARG HD3 H 1 2.375 0.05 . 2 . . . . . 30 ARG HD3 . 27595 1 306 . 1 1 30 30 ARG C C 13 176.476 0.03 . 1 . . . . . 30 ARG C . 27595 1 307 . 1 1 30 30 ARG CA C 13 55.381 0.04 . 1 . . . . . 30 ARG CA . 27595 1 308 . 1 1 30 30 ARG CB C 13 30.374 0.08 . 1 . . . . . 30 ARG CB . 27595 1 309 . 1 1 30 30 ARG CG C 13 26.878 0.00 . 1 . . . . . 30 ARG CG . 27595 1 310 . 1 1 30 30 ARG CD C 13 42.593 0.00 . 1 . . . . . 30 ARG CD . 27595 1 311 . 1 1 30 30 ARG N N 15 118.347 0.03 . 1 . . . . . 30 ARG N . 27595 1 312 . 1 1 31 31 GLY H H 1 7.688 0.00 . 1 . . . . . 31 GLY H . 27595 1 313 . 1 1 31 31 GLY HA2 H 1 4.060 0.10 . 2 . . . . . 31 GLY HA2 . 27595 1 314 . 1 1 31 31 GLY HA3 H 1 3.881 0.04 . 2 . . . . . 31 GLY HA3 . 27595 1 315 . 1 1 31 31 GLY C C 13 173.642 0.03 . 1 . . . . . 31 GLY C . 27595 1 316 . 1 1 31 31 GLY CA C 13 45.885 0.05 . 1 . . . . . 31 GLY CA . 27595 1 317 . 1 1 31 31 GLY N N 15 108.184 0.16 . 1 . . . . . 31 GLY N . 27595 1 318 . 1 1 32 32 SER H H 1 8.492 0.00 . 1 . . . . . 32 SER H . 27595 1 319 . 1 1 32 32 SER C C 13 172.810 0.00 . 1 . . . . . 32 SER C . 27595 1 320 . 1 1 32 32 SER CA C 13 55.156 0.00 . 1 . . . . . 32 SER CA . 27595 1 321 . 1 1 32 32 SER CB C 13 63.143 0.00 . 1 . . . . . 32 SER CB . 27595 1 322 . 1 1 32 32 SER N N 15 115.244 0.04 . 1 . . . . . 32 SER N . 27595 1 323 . 1 1 33 33 PRO HA H 1 4.372 0.00 . 1 . . . . . 33 PRO HA . 27595 1 324 . 1 1 33 33 PRO HB2 H 1 2.280 0.02 . 2 . . . . . 33 PRO HB2 . 27595 1 325 . 1 1 33 33 PRO HB3 H 1 1.869 0.12 . 2 . . . . . 33 PRO HB3 . 27595 1 326 . 1 1 33 33 PRO HG2 H 1 1.866 0.00 . 2 . . . . . 33 PRO HG2 . 27595 1 327 . 1 1 33 33 PRO HG3 H 1 1.858 0.00 . 2 . . . . . 33 PRO HG3 . 27595 1 328 . 1 1 33 33 PRO HD2 H 1 3.670 0.00 . 2 . . . . . 33 PRO HD2 . 27595 1 329 . 1 1 33 33 PRO HD3 H 1 3.670 0.00 . 2 . . . . . 33 PRO HD3 . 27595 1 330 . 1 1 33 33 PRO C C 13 176.844 0.02 . 1 . . . . . 33 PRO C . 27595 1 331 . 1 1 33 33 PRO CA C 13 63.623 0.01 . 1 . . . . . 33 PRO CA . 27595 1 332 . 1 1 33 33 PRO CB C 13 32.063 0.06 . 1 . . . . . 33 PRO CB . 27595 1 333 . 1 1 33 33 PRO CG C 13 27.608 0.00 . 1 . . . . . 33 PRO CG . 27595 1 334 . 1 1 33 33 PRO CD C 13 50.543 0.00 . 1 . . . . . 33 PRO CD . 27595 1 335 . 1 1 34 34 PHE H H 1 8.351 0.06 . 1 . . . . . 34 PHE H . 27595 1 336 . 1 1 34 34 PHE HA H 1 4.550 0.01 . 1 . . . . . 34 PHE HA . 27595 1 337 . 1 1 34 34 PHE HB2 H 1 2.668 0.03 . 2 . . . . . 34 PHE HB2 . 27595 1 338 . 1 1 34 34 PHE HB3 H 1 2.656 0.03 . 2 . . . . . 34 PHE HB3 . 27595 1 339 . 1 1 34 34 PHE CA C 13 54.517 0.10 . 1 . . . . . 34 PHE CA . 27595 1 340 . 1 1 34 34 PHE CB C 13 41.261 0.00 . 1 . . . . . 34 PHE CB . 27595 1 341 . 1 1 34 34 PHE N N 15 119.790 0.03 . 1 . . . . . 34 PHE N . 27595 1 342 . 1 1 35 35 LYS H H 1 8.440 0.00 . 1 . . . . . 35 LYS H . 27595 1 343 . 1 1 35 35 LYS HA H 1 4.274 0.00 . 1 . . . . . 35 LYS HA . 27595 1 344 . 1 1 35 35 LYS HB2 H 1 1.669 0.00 . 2 . . . . . 35 LYS HB2 . 27595 1 345 . 1 1 35 35 LYS HB3 H 1 1.669 0.00 . 2 . . . . . 35 LYS HB3 . 27595 1 346 . 1 1 35 35 LYS HG2 H 1 1.347 0.00 . 2 . . . . . 35 LYS HG2 . 27595 1 347 . 1 1 35 35 LYS HG3 H 1 1.347 0.00 . 2 . . . . . 35 LYS HG3 . 27595 1 348 . 1 1 35 35 LYS HE2 H 1 2.954 0.00 . 2 . . . . . 35 LYS HE2 . 27595 1 349 . 1 1 35 35 LYS HE3 H 1 2.955 0.00 . 2 . . . . . 35 LYS HE3 . 27595 1 350 . 1 1 35 35 LYS HZ1 H 1 7.388 0.00 . 1 . . . . . 35 LYS HZ . 27595 1 351 . 1 1 35 35 LYS HZ2 H 1 7.388 0.00 . 1 . . . . . 35 LYS HZ . 27595 1 352 . 1 1 35 35 LYS HZ3 H 1 7.388 0.00 . 1 . . . . . 35 LYS HZ . 27595 1 353 . 1 1 35 35 LYS C C 13 175.547 0.06 . 1 . . . . . 35 LYS C . 27595 1 354 . 1 1 35 35 LYS CA C 13 57.102 0.47 . 1 . . . . . 35 LYS CA . 27595 1 355 . 1 1 35 35 LYS CB C 13 33.947 0.07 . 1 . . . . . 35 LYS CB . 27595 1 356 . 1 1 35 35 LYS CG C 13 24.797 0.00 . 1 . . . . . 35 LYS CG . 27595 1 357 . 1 1 35 35 LYS CD C 13 29.205 0.00 . 1 . . . . . 35 LYS CD . 27595 1 358 . 1 1 35 35 LYS CE C 13 42.281 0.00 . 1 . . . . . 35 LYS CE . 27595 1 359 . 1 1 35 35 LYS N N 15 122.731 0.25 . 1 . . . . . 35 LYS N . 27595 1 360 . 1 1 36 36 LYS H H 1 8.082 0.00 . 1 . . . . . 36 LYS H . 27595 1 361 . 1 1 36 36 LYS HA H 1 4.364 0.01 . 1 . . . . . 36 LYS HA . 27595 1 362 . 1 1 36 36 LYS HB2 H 1 1.685 0.02 . 2 . . . . . 36 LYS HB2 . 27595 1 363 . 1 1 36 36 LYS HB3 H 1 1.685 0.02 . 2 . . . . . 36 LYS HB3 . 27595 1 364 . 1 1 36 36 LYS HG2 H 1 1.346 0.00 . 2 . . . . . 36 LYS HG2 . 27595 1 365 . 1 1 36 36 LYS HG3 H 1 1.346 0.00 . 2 . . . . . 36 LYS HG3 . 27595 1 366 . 1 1 36 36 LYS HE2 H 1 2.970 0.00 . 2 . . . . . 36 LYS HE2 . 27595 1 367 . 1 1 36 36 LYS HE3 H 1 2.970 0.00 . 2 . . . . . 36 LYS HE3 . 27595 1 368 . 1 1 36 36 LYS C C 13 175.400 0.02 . 1 . . . . . 36 LYS C . 27595 1 369 . 1 1 36 36 LYS CA C 13 55.675 0.06 . 1 . . . . . 36 LYS CA . 27595 1 370 . 1 1 36 36 LYS CB C 13 34.067 0.06 . 1 . . . . . 36 LYS CB . 27595 1 371 . 1 1 36 36 LYS CG C 13 24.304 0.00 . 1 . . . . . 36 LYS CG . 27595 1 372 . 1 1 36 36 LYS CD C 13 29.204 0.00 . 1 . . . . . 36 LYS CD . 27595 1 373 . 1 1 36 36 LYS CE C 13 42.094 0.00 . 1 . . . . . 36 LYS CE . 27595 1 374 . 1 1 36 36 LYS N N 15 120.345 0.08 . 1 . . . . . 36 LYS N . 27595 1 375 . 1 1 37 37 ILE H H 1 8.446 0.00 . 1 . . . . . 37 ILE H . 27595 1 376 . 1 1 37 37 ILE C C 13 173.920 0.00 . 1 . . . . . 37 ILE C . 27595 1 377 . 1 1 37 37 ILE CA C 13 58.666 0.00 . 1 . . . . . 37 ILE CA . 27595 1 378 . 1 1 37 37 ILE CB C 13 39.116 0.00 . 1 . . . . . 37 ILE CB . 27595 1 379 . 1 1 37 37 ILE N N 15 126.090 0.08 . 1 . . . . . 37 ILE N . 27595 1 380 . 1 1 38 38 PRO HA H 1 4.204 0.01 . 1 . . . . . 38 PRO HA . 27595 1 381 . 1 1 38 38 PRO HB2 H 1 1.963 0.02 . 2 . . . . . 38 PRO HB2 . 27595 1 382 . 1 1 38 38 PRO HB3 H 1 1.272 0.04 . 2 . . . . . 38 PRO HB3 . 27595 1 383 . 1 1 38 38 PRO HG2 H 1 1.311 0.00 . 2 . . . . . 38 PRO HG2 . 27595 1 384 . 1 1 38 38 PRO HG3 H 1 1.311 0.00 . 2 . . . . . 38 PRO HG3 . 27595 1 385 . 1 1 38 38 PRO HD2 H 1 3.506 0.00 . 2 . . . . . 38 PRO HD2 . 27595 1 386 . 1 1 38 38 PRO HD3 H 1 3.506 0.00 . 2 . . . . . 38 PRO HD3 . 27595 1 387 . 1 1 38 38 PRO C C 13 174.127 0.03 . 1 . . . . . 38 PRO C . 27595 1 388 . 1 1 38 38 PRO CA C 13 63.029 0.01 . 1 . . . . . 38 PRO CA . 27595 1 389 . 1 1 38 38 PRO CB C 13 32.426 0.07 . 1 . . . . . 38 PRO CB . 27595 1 390 . 1 1 38 38 PRO CG C 13 27.533 0.00 . 1 . . . . . 38 PRO CG . 27595 1 391 . 1 1 38 38 PRO CD C 13 50.459 0.00 . 1 . . . . . 38 PRO CD . 27595 1 392 . 1 1 39 39 ALA H H 1 8.091 0.00 . 1 . . . . . 39 ALA H . 27595 1 393 . 1 1 39 39 ALA HA H 1 4.639 0.00 . 1 . . . . . 39 ALA HA . 27595 1 394 . 1 1 39 39 ALA HB1 H 1 1.026 0.03 . 1 . . . . . 39 ALA HB . 27595 1 395 . 1 1 39 39 ALA HB2 H 1 1.026 0.03 . 1 . . . . . 39 ALA HB . 27595 1 396 . 1 1 39 39 ALA HB3 H 1 1.026 0.03 . 1 . . . . . 39 ALA HB . 27595 1 397 . 1 1 39 39 ALA C C 13 177.051 0.21 . 1 . . . . . 39 ALA C . 27595 1 398 . 1 1 39 39 ALA CA C 13 50.740 0.12 . 1 . . . . . 39 ALA CA . 27595 1 399 . 1 1 39 39 ALA CB C 13 20.591 0.14 . 1 . . . . . 39 ALA CB . 27595 1 400 . 1 1 39 39 ALA N N 15 122.102 0.04 . 1 . . . . . 39 ALA N . 27595 1 401 . 1 1 40 40 VAL H H 1 8.393 0.01 . 1 . . . . . 40 VAL H . 27595 1 402 . 1 1 40 40 VAL HA H 1 4.029 0.01 . 1 . . . . . 40 VAL HA . 27595 1 403 . 1 1 40 40 VAL HB H 1 1.643 0.02 . 1 . . . . . 40 VAL HB . 27595 1 404 . 1 1 40 40 VAL HG11 H 1 0.633 0.00 . 2 . . . . . 40 VAL HG1 . 27595 1 405 . 1 1 40 40 VAL HG12 H 1 0.633 0.00 . 2 . . . . . 40 VAL HG1 . 27595 1 406 . 1 1 40 40 VAL HG13 H 1 0.633 0.00 . 2 . . . . . 40 VAL HG1 . 27595 1 407 . 1 1 40 40 VAL HG21 H 1 0.633 0.00 . 2 . . . . . 40 VAL HG2 . 27595 1 408 . 1 1 40 40 VAL HG22 H 1 0.633 0.00 . 2 . . . . . 40 VAL HG2 . 27595 1 409 . 1 1 40 40 VAL HG23 H 1 0.633 0.00 . 2 . . . . . 40 VAL HG2 . 27595 1 410 . 1 1 40 40 VAL C C 13 176.907 0.02 . 1 . . . . . 40 VAL C . 27595 1 411 . 1 1 40 40 VAL CA C 13 61.596 0.03 . 1 . . . . . 40 VAL CA . 27595 1 412 . 1 1 40 40 VAL CB C 13 34.134 0.06 . 1 . . . . . 40 VAL CB . 27595 1 413 . 1 1 40 40 VAL CG1 C 13 20.201 0.00 . 2 . . . . . 40 VAL CG1 . 27595 1 414 . 1 1 40 40 VAL CG2 C 13 20.198 0.00 . 2 . . . . . 40 VAL CG2 . 27595 1 415 . 1 1 40 40 VAL N N 15 121.740 0.12 . 1 . . . . . 40 VAL N . 27595 1 416 . 1 1 41 41 GLY H H 1 9.206 0.01 . 1 . . . . . 41 GLY H . 27595 1 417 . 1 1 41 41 GLY HA2 H 1 3.847 0.03 . 2 . . . . . 41 GLY HA2 . 27595 1 418 . 1 1 41 41 GLY HA3 H 1 3.815 0.03 . 2 . . . . . 41 GLY HA3 . 27595 1 419 . 1 1 41 41 GLY C C 13 175.430 0.04 . 1 . . . . . 41 GLY C . 27595 1 420 . 1 1 41 41 GLY CA C 13 46.965 0.06 . 1 . . . . . 41 GLY CA . 27595 1 421 . 1 1 41 41 GLY N N 15 117.464 0.07 . 1 . . . . . 41 GLY N . 27595 1 422 . 1 1 42 42 GLY H H 1 8.494 0.00 . 1 . . . . . 42 GLY H . 27595 1 423 . 1 1 42 42 GLY HA2 H 1 4.130 0.00 . 2 . . . . . 42 GLY HA2 . 27595 1 424 . 1 1 42 42 GLY HA3 H 1 3.550 0.01 . 2 . . . . . 42 GLY HA3 . 27595 1 425 . 1 1 42 42 GLY C C 13 173.293 0.02 . 1 . . . . . 42 GLY C . 27595 1 426 . 1 1 42 42 GLY CA C 13 44.852 0.05 . 1 . . . . . 42 GLY CA . 27595 1 427 . 1 1 42 42 GLY N N 15 105.066 0.06 . 1 . . . . . 42 GLY N . 27595 1 428 . 1 1 43 43 LYS H H 1 7.469 0.00 . 1 . . . . . 43 LYS H . 27595 1 429 . 1 1 43 43 LYS HA H 1 4.599 0.01 . 1 . . . . . 43 LYS HA . 27595 1 430 . 1 1 43 43 LYS HB2 H 1 1.653 0.01 . 2 . . . . . 43 LYS HB2 . 27595 1 431 . 1 1 43 43 LYS HB3 H 1 1.653 0.01 . 2 . . . . . 43 LYS HB3 . 27595 1 432 . 1 1 43 43 LYS HG2 H 1 1.343 0.00 . 2 . . . . . 43 LYS HG2 . 27595 1 433 . 1 1 43 43 LYS HG3 H 1 1.343 0.00 . 2 . . . . . 43 LYS HG3 . 27595 1 434 . 1 1 43 43 LYS HE2 H 1 2.970 0.00 . 2 . . . . . 43 LYS HE2 . 27595 1 435 . 1 1 43 43 LYS HE3 H 1 2.970 0.00 . 2 . . . . . 43 LYS HE3 . 27595 1 436 . 1 1 43 43 LYS C C 13 175.123 0.01 . 1 . . . . . 43 LYS C . 27595 1 437 . 1 1 43 43 LYS CA C 13 54.527 0.03 . 1 . . . . . 43 LYS CA . 27595 1 438 . 1 1 43 43 LYS CB C 13 35.053 0.07 . 1 . . . . . 43 LYS CB . 27595 1 439 . 1 1 43 43 LYS CG C 13 24.194 0.00 . 1 . . . . . 43 LYS CG . 27595 1 440 . 1 1 43 43 LYS CD C 13 29.264 0.00 . 1 . . . . . 43 LYS CD . 27595 1 441 . 1 1 43 43 LYS CE C 13 42.244 0.00 . 1 . . . . . 43 LYS CE . 27595 1 442 . 1 1 43 43 LYS N N 15 120.176 0.04 . 1 . . . . . 43 LYS N . 27595 1 443 . 1 1 44 44 GLU H H 1 8.696 0.00 . 1 . . . . . 44 GLU H . 27595 1 444 . 1 1 44 44 GLU HA H 1 4.025 0.00 . 1 . . . . . 44 GLU HA . 27595 1 445 . 1 1 44 44 GLU HB2 H 1 1.822 0.02 . 2 . . . . . 44 GLU HB2 . 27595 1 446 . 1 1 44 44 GLU HB3 H 1 1.822 0.02 . 2 . . . . . 44 GLU HB3 . 27595 1 447 . 1 1 44 44 GLU HG2 H 1 2.136 0.00 . 2 . . . . . 44 GLU HG2 . 27595 1 448 . 1 1 44 44 GLU HG3 H 1 2.136 0.00 . 2 . . . . . 44 GLU HG3 . 27595 1 449 . 1 1 44 44 GLU C C 13 176.226 0.02 . 1 . . . . . 44 GLU C . 27595 1 450 . 1 1 44 44 GLU CA C 13 57.062 0.42 . 1 . . . . . 44 GLU CA . 27595 1 451 . 1 1 44 44 GLU CB C 13 30.502 0.08 . 1 . . . . . 44 GLU CB . 27595 1 452 . 1 1 44 44 GLU CG C 13 37.225 0.00 . 1 . . . . . 44 GLU CG . 27595 1 453 . 1 1 44 44 GLU N N 15 125.464 0.07 . 1 . . . . . 44 GLU N . 27595 1 454 . 1 1 45 45 LEU H H 1 8.485 0.00 . 1 . . . . . 45 LEU H . 27595 1 455 . 1 1 45 45 LEU HA H 1 4.149 0.01 . 1 . . . . . 45 LEU HA . 27595 1 456 . 1 1 45 45 LEU HB2 H 1 1.228 0.09 . 2 . . . . . 45 LEU HB2 . 27595 1 457 . 1 1 45 45 LEU HB3 H 1 1.184 0.15 . 2 . . . . . 45 LEU HB3 . 27595 1 458 . 1 1 45 45 LEU HG H 1 0.818 0.00 . 1 . . . . . 45 LEU HG . 27595 1 459 . 1 1 45 45 LEU HD11 H 1 0.473 0.00 . 2 . . . . . 45 LEU HD1 . 27595 1 460 . 1 1 45 45 LEU HD12 H 1 0.473 0.00 . 2 . . . . . 45 LEU HD1 . 27595 1 461 . 1 1 45 45 LEU HD13 H 1 0.473 0.00 . 2 . . . . . 45 LEU HD1 . 27595 1 462 . 1 1 45 45 LEU HD21 H 1 0.473 0.00 . 2 . . . . . 45 LEU HD2 . 27595 1 463 . 1 1 45 45 LEU HD22 H 1 0.473 0.00 . 2 . . . . . 45 LEU HD2 . 27595 1 464 . 1 1 45 45 LEU HD23 H 1 0.473 0.00 . 2 . . . . . 45 LEU HD2 . 27595 1 465 . 1 1 45 45 LEU C C 13 176.222 0.01 . 1 . . . . . 45 LEU C . 27595 1 466 . 1 1 45 45 LEU CA C 13 55.545 0.06 . 1 . . . . . 45 LEU CA . 27595 1 467 . 1 1 45 45 LEU CB C 13 42.989 0.08 . 1 . . . . . 45 LEU CB . 27595 1 468 . 1 1 45 45 LEU CG C 13 26.008 0.00 . 1 . . . . . 45 LEU CG . 27595 1 469 . 1 1 45 45 LEU CD1 C 13 23.580 0.00 . 2 . . . . . 45 LEU CD1 . 27595 1 470 . 1 1 45 45 LEU N N 15 127.065 0.08 . 1 . . . . . 45 LEU N . 27595 1 471 . 1 1 46 46 ASP H H 1 8.963 0.00 . 1 . . . . . 46 ASP H . 27595 1 472 . 1 1 46 46 ASP HA H 1 4.739 0.01 . 1 . . . . . 46 ASP HA . 27595 1 473 . 1 1 46 46 ASP HB2 H 1 3.146 0.02 . 2 . . . . . 46 ASP HB2 . 27595 1 474 . 1 1 46 46 ASP HB3 H 1 2.801 0.02 . 2 . . . . . 46 ASP HB3 . 27595 1 475 . 1 1 46 46 ASP C C 13 175.804 0.13 . 1 . . . . . 46 ASP C . 27595 1 476 . 1 1 46 46 ASP CA C 13 52.644 0.03 . 1 . . . . . 46 ASP CA . 27595 1 477 . 1 1 46 46 ASP CB C 13 39.327 0.06 . 1 . . . . . 46 ASP CB . 27595 1 478 . 1 1 46 46 ASP N N 15 125.677 0.09 . 1 . . . . . 46 ASP N . 27595 1 479 . 1 1 47 47 LEU H H 1 7.960 0.00 . 1 . . . . . 47 LEU H . 27595 1 480 . 1 1 47 47 LEU HA H 1 3.920 0.03 . 1 . . . . . 47 LEU HA . 27595 1 481 . 1 1 47 47 LEU HB2 H 1 1.891 0.02 . 2 . . . . . 47 LEU HB2 . 27595 1 482 . 1 1 47 47 LEU HB3 H 1 1.315 0.02 . 2 . . . . . 47 LEU HB3 . 27595 1 483 . 1 1 47 47 LEU HG H 1 1.633 0.00 . 1 . . . . . 47 LEU HG . 27595 1 484 . 1 1 47 47 LEU HD11 H 1 0.523 0.00 . 2 . . . . . 47 LEU HD1 . 27595 1 485 . 1 1 47 47 LEU HD12 H 1 0.523 0.00 . 2 . . . . . 47 LEU HD1 . 27595 1 486 . 1 1 47 47 LEU HD13 H 1 0.523 0.00 . 2 . . . . . 47 LEU HD1 . 27595 1 487 . 1 1 47 47 LEU HD21 H 1 0.523 0.00 . 2 . . . . . 47 LEU HD2 . 27595 1 488 . 1 1 47 47 LEU HD22 H 1 0.523 0.00 . 2 . . . . . 47 LEU HD2 . 27595 1 489 . 1 1 47 47 LEU HD23 H 1 0.523 0.00 . 2 . . . . . 47 LEU HD2 . 27595 1 490 . 1 1 47 47 LEU C C 13 177.969 0.09 . 1 . . . . . 47 LEU C . 27595 1 491 . 1 1 47 47 LEU CA C 13 57.767 0.15 . 1 . . . . . 47 LEU CA . 27595 1 492 . 1 1 47 47 LEU CB C 13 42.428 0.07 . 1 . . . . . 47 LEU CB . 27595 1 493 . 1 1 47 47 LEU CG C 13 25.979 0.00 . 1 . . . . . 47 LEU CG . 27595 1 494 . 1 1 47 47 LEU CD1 C 13 22.652 0.00 . 2 . . . . . 47 LEU CD1 . 27595 1 495 . 1 1 47 47 LEU N N 15 126.029 0.07 . 1 . . . . . 47 LEU N . 27595 1 496 . 1 1 48 48 HIS H H 1 8.700 0.00 . 1 . . . . . 48 HIS H . 27595 1 497 . 1 1 48 48 HIS HA H 1 3.519 0.01 . 1 . . . . . 48 HIS HA . 27595 1 498 . 1 1 48 48 HIS HB2 H 1 3.104 0.02 . 2 . . . . . 48 HIS HB2 . 27595 1 499 . 1 1 48 48 HIS HB3 H 1 2.899 0.00 . 2 . . . . . 48 HIS HB3 . 27595 1 500 . 1 1 48 48 HIS C C 13 178.151 0.04 . 1 . . . . . 48 HIS C . 27595 1 501 . 1 1 48 48 HIS CA C 13 59.348 0.04 . 1 . . . . . 48 HIS CA . 27595 1 502 . 1 1 48 48 HIS CB C 13 30.621 0.05 . 1 . . . . . 48 HIS CB . 27595 1 503 . 1 1 48 48 HIS N N 15 119.239 0.04 . 1 . . . . . 48 HIS N . 27595 1 504 . 1 1 49 49 GLY H H 1 8.663 0.00 . 1 . . . . . 49 GLY H . 27595 1 505 . 1 1 49 49 GLY HA2 H 1 3.860 0.08 . 2 . . . . . 49 GLY HA2 . 27595 1 506 . 1 1 49 49 GLY HA3 H 1 3.799 0.07 . 2 . . . . . 49 GLY HA3 . 27595 1 507 . 1 1 49 49 GLY C C 13 176.555 0.01 . 1 . . . . . 49 GLY C . 27595 1 508 . 1 1 49 49 GLY CA C 13 47.681 0.02 . 1 . . . . . 49 GLY CA . 27595 1 509 . 1 1 49 49 GLY N N 15 110.634 0.03 . 1 . . . . . 49 GLY N . 27595 1 510 . 1 1 50 50 LEU H H 1 8.608 0.00 . 1 . . . . . 50 LEU H . 27595 1 511 . 1 1 50 50 LEU HA H 1 4.002 0.01 . 1 . . . . . 50 LEU HA . 27595 1 512 . 1 1 50 50 LEU HB2 H 1 1.881 0.03 . 2 . . . . . 50 LEU HB2 . 27595 1 513 . 1 1 50 50 LEU HB3 H 1 1.086 0.01 . 2 . . . . . 50 LEU HB3 . 27595 1 514 . 1 1 50 50 LEU HG H 1 1.097 0.00 . 1 . . . . . 50 LEU HG . 27595 1 515 . 1 1 50 50 LEU HD11 H 1 0.710 0.00 . 2 . . . . . 50 LEU HD1 . 27595 1 516 . 1 1 50 50 LEU HD12 H 1 0.710 0.00 . 2 . . . . . 50 LEU HD1 . 27595 1 517 . 1 1 50 50 LEU HD13 H 1 0.710 0.00 . 2 . . . . . 50 LEU HD1 . 27595 1 518 . 1 1 50 50 LEU HD21 H 1 0.710 0.00 . 2 . . . . . 50 LEU HD2 . 27595 1 519 . 1 1 50 50 LEU HD22 H 1 0.710 0.00 . 2 . . . . . 50 LEU HD2 . 27595 1 520 . 1 1 50 50 LEU HD23 H 1 0.710 0.00 . 2 . . . . . 50 LEU HD2 . 27595 1 521 . 1 1 50 50 LEU C C 13 177.213 0.04 . 1 . . . . . 50 LEU C . 27595 1 522 . 1 1 50 50 LEU CA C 13 58.248 0.04 . 1 . . . . . 50 LEU CA . 27595 1 523 . 1 1 50 50 LEU CB C 13 41.575 0.04 . 1 . . . . . 50 LEU CB . 27595 1 524 . 1 1 50 50 LEU CG C 13 26.304 0.00 . 1 . . . . . 50 LEU CG . 27595 1 525 . 1 1 50 50 LEU CD1 C 13 23.470 0.00 . 2 . . . . . 50 LEU CD1 . 27595 1 526 . 1 1 50 50 LEU N N 15 124.700 0.07 . 1 . . . . . 50 LEU N . 27595 1 527 . 1 1 51 51 TYR H H 1 8.548 0.00 . 1 . . . . . 51 TYR H . 27595 1 528 . 1 1 51 51 TYR HA H 1 4.546 0.01 . 1 . . . . . 51 TYR HA . 27595 1 529 . 1 1 51 51 TYR HB2 H 1 3.299 0.01 . 2 . . . . . 51 TYR HB2 . 27595 1 530 . 1 1 51 51 TYR HB3 H 1 2.882 0.01 . 2 . . . . . 51 TYR HB3 . 27595 1 531 . 1 1 51 51 TYR C C 13 179.157 0.01 . 1 . . . . . 51 TYR C . 27595 1 532 . 1 1 51 51 TYR CA C 13 61.725 0.03 . 1 . . . . . 51 TYR CA . 27595 1 533 . 1 1 51 51 TYR CB C 13 39.240 0.06 . 1 . . . . . 51 TYR CB . 27595 1 534 . 1 1 51 51 TYR N N 15 119.964 0.06 . 1 . . . . . 51 TYR N . 27595 1 535 . 1 1 52 52 THR H H 1 8.619 0.00 . 1 . . . . . 52 THR H . 27595 1 536 . 1 1 52 52 THR HA H 1 3.451 1.13 . 1 . . . . . 52 THR HA . 27595 1 537 . 1 1 52 52 THR HB H 1 3.373 0.02 . 1 . . . . . 52 THR HB . 27595 1 538 . 1 1 52 52 THR HG1 H 1 5.207 0.00 . 1 . . . . . 52 THR HG1 . 27595 1 539 . 1 1 52 52 THR HG21 H 1 1.01 1.46 . 1 . . . . . 52 THR HG2 . 27595 1 540 . 1 1 52 52 THR HG22 H 1 1.01 1.46 . 1 . . . . . 52 THR HG2 . 27595 1 541 . 1 1 52 52 THR HG23 H 1 1.01 1.46 . 1 . . . . . 52 THR HG2 . 27595 1 542 . 1 1 52 52 THR C C 13 176.016 0.05 . 1 . . . . . 52 THR C . 27595 1 543 . 1 1 52 52 THR CA C 13 66.982 0.53 . 1 . . . . . 52 THR CA . 27595 1 544 . 1 1 52 52 THR CB C 13 68.483 0.05 . 1 . . . . . 52 THR CB . 27595 1 545 . 1 1 52 52 THR CG2 C 13 20.933 0.00 . 1 . . . . . 52 THR CG2 . 27595 1 546 . 1 1 52 52 THR N N 15 117.007 0.04 . 1 . . . . . 52 THR N . 27595 1 547 . 1 1 53 53 ARG H H 1 8.415 0.00 . 1 . . . . . 53 ARG H . 27595 1 548 . 1 1 53 53 ARG HA H 1 3.950 0.00 . 1 . . . . . 53 ARG HA . 27595 1 549 . 1 1 53 53 ARG HB2 H 1 2.095 0.04 . 2 . . . . . 53 ARG HB2 . 27595 1 550 . 1 1 53 53 ARG HB3 H 1 2.095 0.04 . 2 . . . . . 53 ARG HB3 . 27595 1 551 . 1 1 53 53 ARG HG2 H 1 1.475 0.00 . 2 . . . . . 53 ARG HG2 . 27595 1 552 . 1 1 53 53 ARG HG3 H 1 1.475 0.00 . 2 . . . . . 53 ARG HG3 . 27595 1 553 . 1 1 53 53 ARG HD2 H 1 3.155 0.00 . 2 . . . . . 53 ARG HD2 . 27595 1 554 . 1 1 53 53 ARG HD3 H 1 3.155 0.00 . 2 . . . . . 53 ARG HD3 . 27595 1 555 . 1 1 53 53 ARG C C 13 177.654 0.01 . 1 . . . . . 53 ARG C . 27595 1 556 . 1 1 53 53 ARG CA C 13 58.288 0.04 . 1 . . . . . 53 ARG CA . 27595 1 557 . 1 1 53 53 ARG CB C 13 30.152 0.09 . 1 . . . . . 53 ARG CB . 27595 1 558 . 1 1 53 53 ARG CG C 13 27.185 0.00 . 1 . . . . . 53 ARG CG . 27595 1 559 . 1 1 53 53 ARG CD C 13 41.764 0.00 . 1 . . . . . 53 ARG CD . 27595 1 560 . 1 1 53 53 ARG N N 15 123.805 0.05 . 1 . . . . . 53 ARG N . 27595 1 561 . 1 1 54 54 VAL H H 1 8.410 0.00 . 1 . . . . . 54 VAL H . 27595 1 562 . 1 1 54 54 VAL HA H 1 3.169 0.02 . 1 . . . . . 54 VAL HA . 27595 1 563 . 1 1 54 54 VAL HB H 1 2.113 0.04 . 1 . . . . . 54 VAL HB . 27595 1 564 . 1 1 54 54 VAL HG11 H 1 0.217 0.00 . 2 . . . . . 54 VAL HG1 . 27595 1 565 . 1 1 54 54 VAL HG12 H 1 0.217 0.00 . 2 . . . . . 54 VAL HG1 . 27595 1 566 . 1 1 54 54 VAL HG13 H 1 0.217 0.00 . 2 . . . . . 54 VAL HG1 . 27595 1 567 . 1 1 54 54 VAL HG21 H 1 0.685 0.00 . 2 . . . . . 54 VAL HG2 . 27595 1 568 . 1 1 54 54 VAL HG22 H 1 0.685 0.00 . 2 . . . . . 54 VAL HG2 . 27595 1 569 . 1 1 54 54 VAL HG23 H 1 0.685 0.00 . 2 . . . . . 54 VAL HG2 . 27595 1 570 . 1 1 54 54 VAL C C 13 179.276 0.06 . 1 . . . . . 54 VAL C . 27595 1 571 . 1 1 54 54 VAL CA C 13 66.744 0.10 . 1 . . . . . 54 VAL CA . 27595 1 572 . 1 1 54 54 VAL CB C 13 30.773 0.30 . 1 . . . . . 54 VAL CB . 27595 1 573 . 1 1 54 54 VAL CG1 C 13 24.469 0.00 . 2 . . . . . 54 VAL CG1 . 27595 1 574 . 1 1 54 54 VAL CG2 C 13 19.376 0.00 . 2 . . . . . 54 VAL CG2 . 27595 1 575 . 1 1 54 54 VAL N N 15 117.513 0.04 . 1 . . . . . 54 VAL N . 27595 1 576 . 1 1 55 55 THR H H 1 8.155 0.00 . 1 . . . . . 55 THR H . 27595 1 577 . 1 1 55 55 THR HA H 1 3.263 0.02 . 1 . . . . . 55 THR HA . 27595 1 578 . 1 1 55 55 THR HB H 1 3.028 0.01 . 1 . . . . . 55 THR HB . 27595 1 579 . 1 1 55 55 THR HG21 H 1 1.659 0.00 . 1 . . . . . 55 THR HG2 . 27595 1 580 . 1 1 55 55 THR HG22 H 1 1.659 0.00 . 1 . . . . . 55 THR HG2 . 27595 1 581 . 1 1 55 55 THR HG23 H 1 1.659 0.00 . 1 . . . . . 55 THR HG2 . 27595 1 582 . 1 1 55 55 THR C C 13 179.201 0.01 . 1 . . . . . 55 THR C . 27595 1 583 . 1 1 55 55 THR CA C 13 66.572 0.11 . 1 . . . . . 55 THR CA . 27595 1 584 . 1 1 55 55 THR CB C 13 68.303 0.11 . 1 . . . . . 55 THR CB . 27595 1 585 . 1 1 55 55 THR CG2 C 13 22.521 0.00 . 1 . . . . . 55 THR CG2 . 27595 1 586 . 1 1 55 55 THR N N 15 110.715 0.03 . 1 . . . . . 55 THR N . 27595 1 587 . 1 1 56 56 THR H H 1 7.821 0.00 . 1 . . . . . 56 THR H . 27595 1 588 . 1 1 56 56 THR HA H 1 3.949 0.00 . 1 . . . . . 56 THR HA . 27595 1 589 . 1 1 56 56 THR HG1 H 1 4.999 0.00 . 1 . . . . . 56 THR HG1 . 27595 1 590 . 1 1 56 56 THR HG21 H 1 1.339 0.00 . 1 . . . . . 56 THR HG2 . 27595 1 591 . 1 1 56 56 THR HG22 H 1 1.339 0.00 . 1 . . . . . 56 THR HG2 . 27595 1 592 . 1 1 56 56 THR HG23 H 1 1.339 0.00 . 1 . . . . . 56 THR HG2 . 27595 1 593 . 1 1 56 56 THR C C 13 175.833 0.02 . 1 . . . . . 56 THR C . 27595 1 594 . 1 1 56 56 THR CA C 13 66.958 0.13 . 1 . . . . . 56 THR CA . 27595 1 595 . 1 1 56 56 THR CB C 13 68.461 0.09 . 1 . . . . . 56 THR CB . 27595 1 596 . 1 1 56 56 THR CG2 C 13 21.137 0.00 . 1 . . . . . 56 THR CG2 . 27595 1 597 . 1 1 56 56 THR N N 15 120.483 0.05 . 1 . . . . . 56 THR N . 27595 1 598 . 1 1 57 57 LEU H H 1 7.091 0.00 . 1 . . . . . 57 LEU H . 27595 1 599 . 1 1 57 57 LEU HA H 1 4.149 0.01 . 1 . . . . . 57 LEU HA . 27595 1 600 . 1 1 57 57 LEU HB2 H 1 1.329 0.03 . 2 . . . . . 57 LEU HB2 . 27595 1 601 . 1 1 57 57 LEU HB3 H 1 1.325 0.03 . 2 . . . . . 57 LEU HB3 . 27595 1 602 . 1 1 57 57 LEU HG H 1 1.532 0.00 . 1 . . . . . 57 LEU HG . 27595 1 603 . 1 1 57 57 LEU HD11 H 1 0.695 0.00 . 2 . . . . . 57 LEU HD1 . 27595 1 604 . 1 1 57 57 LEU HD12 H 1 0.695 0.00 . 2 . . . . . 57 LEU HD1 . 27595 1 605 . 1 1 57 57 LEU HD13 H 1 0.695 0.00 . 2 . . . . . 57 LEU HD1 . 27595 1 606 . 1 1 57 57 LEU HD21 H 1 0.488 0.00 . 2 . . . . . 57 LEU HD2 . 27595 1 607 . 1 1 57 57 LEU HD22 H 1 0.488 0.00 . 2 . . . . . 57 LEU HD2 . 27595 1 608 . 1 1 57 57 LEU HD23 H 1 0.488 0.00 . 2 . . . . . 57 LEU HD2 . 27595 1 609 . 1 1 57 57 LEU C C 13 176.147 0.03 . 1 . . . . . 57 LEU C . 27595 1 610 . 1 1 57 57 LEU CA C 13 55.410 0.04 . 1 . . . . . 57 LEU CA . 27595 1 611 . 1 1 57 57 LEU CB C 13 43.010 0.16 . 1 . . . . . 57 LEU CB . 27595 1 612 . 1 1 57 57 LEU CG C 13 25.089 0.00 . 1 . . . . . 57 LEU CG . 27595 1 613 . 1 1 57 57 LEU CD1 C 13 21.970 0.00 . 2 . . . . . 57 LEU CD1 . 27595 1 614 . 1 1 57 57 LEU N N 15 120.422 0.08 . 1 . . . . . 57 LEU N . 27595 1 615 . 1 1 58 58 GLY H H 1 7.405 0.00 . 1 . . . . . 58 GLY H . 27595 1 616 . 1 1 58 58 GLY HA2 H 1 4.466 0.00 . 2 . . . . . 58 GLY HA2 . 27595 1 617 . 1 1 58 58 GLY HA3 H 1 3.702 0.01 . 2 . . . . . 58 GLY HA3 . 27595 1 618 . 1 1 58 58 GLY C C 13 175.006 0.02 . 1 . . . . . 58 GLY C . 27595 1 619 . 1 1 58 58 GLY CA C 13 44.854 0.12 . 1 . . . . . 58 GLY CA . 27595 1 620 . 1 1 58 58 GLY N N 15 104.635 0.04 . 1 . . . . . 58 GLY N . 27595 1 621 . 1 1 59 59 GLY H H 1 8.461 0.00 . 1 . . . . . 59 GLY H . 27595 1 622 . 1 1 59 59 GLY HA2 H 1 4.561 0.00 . 2 . . . . . 59 GLY HA2 . 27595 1 623 . 1 1 59 59 GLY HA3 H 1 3.959 0.55 . 2 . . . . . 59 GLY HA3 . 27595 1 624 . 1 1 59 59 GLY C C 13 171.355 0.01 . 1 . . . . . 59 GLY C . 27595 1 625 . 1 1 59 59 GLY CA C 13 43.430 0.57 . 1 . . . . . 59 GLY CA . 27595 1 626 . 1 1 59 59 GLY N N 15 110.925 0.08 . 1 . . . . . 59 GLY N . 27595 1 627 . 1 1 60 60 PHE H H 1 10.398 0.00 . 1 . . . . . 60 PHE H . 27595 1 628 . 1 1 60 60 PHE HA H 1 3.518 0.04 . 1 . . . . . 60 PHE HA . 27595 1 629 . 1 1 60 60 PHE HB2 H 1 3.232 0.01 . 2 . . . . . 60 PHE HB2 . 27595 1 630 . 1 1 60 60 PHE HB3 H 1 3.233 0.01 . 2 . . . . . 60 PHE HB3 . 27595 1 631 . 1 1 60 60 PHE C C 13 177.628 0.02 . 1 . . . . . 60 PHE C . 27595 1 632 . 1 1 60 60 PHE CA C 13 62.996 0.02 . 1 . . . . . 60 PHE CA . 27595 1 633 . 1 1 60 60 PHE CB C 13 40.152 0.06 . 1 . . . . . 60 PHE CB . 27595 1 634 . 1 1 60 60 PHE N N 15 122.319 0.07 . 1 . . . . . 60 PHE N . 27595 1 635 . 1 1 61 61 ALA H H 1 9.617 0.00 . 1 . . . . . 61 ALA H . 27595 1 636 . 1 1 61 61 ALA HA H 1 3.992 0.02 . 1 . . . . . 61 ALA HA . 27595 1 637 . 1 1 61 61 ALA HB1 H 1 1.488 0.03 . 1 . . . . . 61 ALA HB . 27595 1 638 . 1 1 61 61 ALA HB2 H 1 1.488 0.03 . 1 . . . . . 61 ALA HB . 27595 1 639 . 1 1 61 61 ALA HB3 H 1 1.488 0.03 . 1 . . . . . 61 ALA HB . 27595 1 640 . 1 1 61 61 ALA C C 13 180.112 0.02 . 1 . . . . . 61 ALA C . 27595 1 641 . 1 1 61 61 ALA CA C 13 55.431 0.05 . 1 . . . . . 61 ALA CA . 27595 1 642 . 1 1 61 61 ALA CB C 13 17.632 0.09 . 1 . . . . . 61 ALA CB . 27595 1 643 . 1 1 61 61 ALA N N 15 123.587 0.07 . 1 . . . . . 61 ALA N . 27595 1 644 . 1 1 62 62 LYS H H 1 7.844 0.01 . 1 . . . . . 62 LYS H . 27595 1 645 . 1 1 62 62 LYS HA H 1 4.014 0.01 . 1 . . . . . 62 LYS HA . 27595 1 646 . 1 1 62 62 LYS HB2 H 1 1.630 0.02 . 2 . . . . . 62 LYS HB2 . 27595 1 647 . 1 1 62 62 LYS HB3 H 1 1.630 0.02 . 2 . . . . . 62 LYS HB3 . 27595 1 648 . 1 1 62 62 LYS C C 13 178.027 0.03 . 1 . . . . . 62 LYS C . 27595 1 649 . 1 1 62 62 LYS CA C 13 58.690 0.13 . 1 . . . . . 62 LYS CA . 27595 1 650 . 1 1 62 62 LYS CB C 13 31.709 0.07 . 1 . . . . . 62 LYS CB . 27595 1 651 . 1 1 62 62 LYS CG C 13 24.805 0.00 . 1 . . . . . 62 LYS CG . 27595 1 652 . 1 1 62 62 LYS CD C 13 28.397 0.00 . 1 . . . . . 62 LYS CD . 27595 1 653 . 1 1 62 62 LYS N N 15 121.451 0.04 . 1 . . . . . 62 LYS N . 27595 1 654 . 1 1 63 63 VAL H H 1 7.982 0.00 . 1 . . . . . 63 VAL H . 27595 1 655 . 1 1 63 63 VAL HA H 1 3.380 0.01 . 1 . . . . . 63 VAL HA . 27595 1 656 . 1 1 63 63 VAL HB H 1 0.939 0.00 . 1 . . . . . 63 VAL HB . 27595 1 657 . 1 1 63 63 VAL HG11 H 1 0.446 0.00 . 2 . . . . . 63 VAL HG1 . 27595 1 658 . 1 1 63 63 VAL HG12 H 1 0.446 0.00 . 2 . . . . . 63 VAL HG1 . 27595 1 659 . 1 1 63 63 VAL HG13 H 1 0.446 0.00 . 2 . . . . . 63 VAL HG1 . 27595 1 660 . 1 1 63 63 VAL HG21 H 1 0.449 0.00 . 2 . . . . . 63 VAL HG2 . 27595 1 661 . 1 1 63 63 VAL HG22 H 1 0.449 0.00 . 2 . . . . . 63 VAL HG2 . 27595 1 662 . 1 1 63 63 VAL HG23 H 1 0.449 0.00 . 2 . . . . . 63 VAL HG2 . 27595 1 663 . 1 1 63 63 VAL C C 13 178.773 0.02 . 1 . . . . . 63 VAL C . 27595 1 664 . 1 1 63 63 VAL CA C 13 65.714 0.05 . 1 . . . . . 63 VAL CA . 27595 1 665 . 1 1 63 63 VAL CB C 13 31.520 0.12 . 1 . . . . . 63 VAL CB . 27595 1 666 . 1 1 63 63 VAL CG1 C 13 25.311 0.00 . 2 . . . . . 63 VAL CG1 . 27595 1 667 . 1 1 63 63 VAL CG2 C 13 18.620 0.00 . 2 . . . . . 63 VAL CG2 . 27595 1 668 . 1 1 63 63 VAL N N 15 119.156 0.07 . 1 . . . . . 63 VAL N . 27595 1 669 . 1 1 64 64 SER H H 1 7.815 0.00 . 1 . . . . . 64 SER H . 27595 1 670 . 1 1 64 64 SER HA H 1 4.463 0.01 . 1 . . . . . 64 SER HA . 27595 1 671 . 1 1 64 64 SER HB2 H 1 3.838 0.00 . 2 . . . . . 64 SER HB2 . 27595 1 672 . 1 1 64 64 SER HB3 H 1 3.838 0.00 . 2 . . . . . 64 SER HB3 . 27595 1 673 . 1 1 64 64 SER C C 13 176.871 0.02 . 1 . . . . . 64 SER C . 27595 1 674 . 1 1 64 64 SER CA C 13 62.131 0.21 . 1 . . . . . 64 SER CA . 27595 1 675 . 1 1 64 64 SER N N 15 113.764 0.05 . 1 . . . . . 64 SER N . 27595 1 676 . 1 1 65 65 GLU H H 1 8.510 0.00 . 1 . . . . . 65 GLU H . 27595 1 677 . 1 1 65 65 GLU HA H 1 3.973 0.01 . 1 . . . . . 65 GLU HA . 27595 1 678 . 1 1 65 65 GLU HB2 H 1 2.112 0.02 . 2 . . . . . 65 GLU HB2 . 27595 1 679 . 1 1 65 65 GLU HB3 H 1 2.112 0.02 . 2 . . . . . 65 GLU HB3 . 27595 1 680 . 1 1 65 65 GLU HG2 H 1 2.261 0.00 . 2 . . . . . 65 GLU HG2 . 27595 1 681 . 1 1 65 65 GLU HG3 H 1 2.261 0.00 . 2 . . . . . 65 GLU HG3 . 27595 1 682 . 1 1 65 65 GLU C C 13 178.067 0.01 . 1 . . . . . 65 GLU C . 27595 1 683 . 1 1 65 65 GLU CA C 13 59.282 0.03 . 1 . . . . . 65 GLU CA . 27595 1 684 . 1 1 65 65 GLU CB C 13 29.745 0.07 . 1 . . . . . 65 GLU CB . 27595 1 685 . 1 1 65 65 GLU CG C 13 36.026 0.00 . 1 . . . . . 65 GLU CG . 27595 1 686 . 1 1 65 65 GLU N N 15 126.100 0.03 . 1 . . . . . 65 GLU N . 27595 1 687 . 1 1 66 66 LYS H H 1 7.738 0.00 . 1 . . . . . 66 LYS H . 27595 1 688 . 1 1 66 66 LYS HA H 1 4.173 0.01 . 1 . . . . . 66 LYS HA . 27595 1 689 . 1 1 66 66 LYS HB2 H 1 1.861 0.01 . 2 . . . . . 66 LYS HB2 . 27595 1 690 . 1 1 66 66 LYS HB3 H 1 1.532 0.01 . 2 . . . . . 66 LYS HB3 . 27595 1 691 . 1 1 66 66 LYS HG2 H 1 1.539 0.00 . 2 . . . . . 66 LYS HG2 . 27595 1 692 . 1 1 66 66 LYS HG3 H 1 1.539 0.00 . 2 . . . . . 66 LYS HG3 . 27595 1 693 . 1 1 66 66 LYS HE2 H 1 2.866 0.00 . 2 . . . . . 66 LYS HE2 . 27595 1 694 . 1 1 66 66 LYS HE3 H 1 2.866 0.00 . 2 . . . . . 66 LYS HE3 . 27595 1 695 . 1 1 66 66 LYS C C 13 175.408 0.02 . 1 . . . . . 66 LYS C . 27595 1 696 . 1 1 66 66 LYS CA C 13 55.832 0.04 . 1 . . . . . 66 LYS CA . 27595 1 697 . 1 1 66 66 LYS CB C 13 32.130 0.05 . 1 . . . . . 66 LYS CB . 27595 1 698 . 1 1 66 66 LYS CG C 13 25.337 0.00 . 1 . . . . . 66 LYS CG . 27595 1 699 . 1 1 66 66 LYS CD C 13 28.801 0.00 . 1 . . . . . 66 LYS CD . 27595 1 700 . 1 1 66 66 LYS CE C 13 42.042 0.00 . 1 . . . . . 66 LYS CE . 27595 1 701 . 1 1 66 66 LYS N N 15 115.335 0.06 . 1 . . . . . 66 LYS N . 27595 1 702 . 1 1 67 67 ASN H H 1 7.882 0.00 . 1 . . . . . 67 ASN H . 27595 1 703 . 1 1 67 67 ASN HA H 1 4.518 0.01 . 1 . . . . . 67 ASN HA . 27595 1 704 . 1 1 67 67 ASN HB2 H 1 3.205 0.01 . 2 . . . . . 67 ASN HB2 . 27595 1 705 . 1 1 67 67 ASN HB3 H 1 2.679 0.00 . 2 . . . . . 67 ASN HB3 . 27595 1 706 . 1 1 67 67 ASN C C 13 176.149 0.10 . 1 . . . . . 67 ASN C . 27595 1 707 . 1 1 67 67 ASN CA C 13 54.209 0.03 . 1 . . . . . 67 ASN CA . 27595 1 708 . 1 1 67 67 ASN CB C 13 37.067 0.06 . 1 . . . . . 67 ASN CB . 27595 1 709 . 1 1 67 67 ASN N N 15 117.586 0.05 . 1 . . . . . 67 ASN N . 27595 1 710 . 1 1 68 68 GLN H H 1 8.255 0.00 . 1 . . . . . 68 GLN H . 27595 1 711 . 1 1 68 68 GLN HA H 1 4.268 0.01 . 1 . . . . . 68 GLN HA . 27595 1 712 . 1 1 68 68 GLN HB2 H 1 1.905 0.01 . 2 . . . . . 68 GLN HB2 . 27595 1 713 . 1 1 68 68 GLN HB3 H 1 1.572 0.01 . 2 . . . . . 68 GLN HB3 . 27595 1 714 . 1 1 68 68 GLN HG2 H 1 2.164 0.00 . 2 . . . . . 68 GLN HG2 . 27595 1 715 . 1 1 68 68 GLN HG3 H 1 2.164 0.00 . 2 . . . . . 68 GLN HG3 . 27595 1 716 . 1 1 68 68 GLN C C 13 176.384 0.07 . 1 . . . . . 68 GLN C . 27595 1 717 . 1 1 68 68 GLN CA C 13 56.397 0.03 . 1 . . . . . 68 GLN CA . 27595 1 718 . 1 1 68 68 GLN CB C 13 30.441 0.13 . 1 . . . . . 68 GLN CB . 27595 1 719 . 1 1 68 68 GLN CG C 13 35.426 0.00 . 1 . . . . . 68 GLN CG . 27595 1 720 . 1 1 68 68 GLN N N 15 114.575 0.07 . 1 . . . . . 68 GLN N . 27595 1 721 . 1 1 69 69 TRP H H 1 7.041 0.00 . 1 . . . . . 69 TRP H . 27595 1 722 . 1 1 69 69 TRP HA H 1 3.831 0.02 . 1 . . . . . 69 TRP HA . 27595 1 723 . 1 1 69 69 TRP HB2 H 1 3.324 0.01 . 2 . . . . . 69 TRP HB2 . 27595 1 724 . 1 1 69 69 TRP HB3 H 1 3.064 0.01 . 2 . . . . . 69 TRP HB3 . 27595 1 725 . 1 1 69 69 TRP C C 13 177.722 0.02 . 1 . . . . . 69 TRP C . 27595 1 726 . 1 1 69 69 TRP CA C 13 60.164 0.04 . 1 . . . . . 69 TRP CA . 27595 1 727 . 1 1 69 69 TRP CB C 13 29.200 0.07 . 1 . . . . . 69 TRP CB . 27595 1 728 . 1 1 69 69 TRP N N 15 119.797 0.03 . 1 . . . . . 69 TRP N . 27595 1 729 . 1 1 70 70 GLY H H 1 8.471 0.00 . 1 . . . . . 70 GLY H . 27595 1 730 . 1 1 70 70 GLY HA2 H 1 3.865 0.03 . 2 . . . . . 70 GLY HA2 . 27595 1 731 . 1 1 70 70 GLY HA3 H 1 3.785 0.01 . 2 . . . . . 70 GLY HA3 . 27595 1 732 . 1 1 70 70 GLY C C 13 175.488 0.02 . 1 . . . . . 70 GLY C . 27595 1 733 . 1 1 70 70 GLY CA C 13 46.910 0.05 . 1 . . . . . 70 GLY CA . 27595 1 734 . 1 1 70 70 GLY N N 15 103.639 0.03 . 1 . . . . . 70 GLY N . 27595 1 735 . 1 1 71 71 GLU H H 1 7.593 0.00 . 1 . . . . . 71 GLU H . 27595 1 736 . 1 1 71 71 GLU HA H 1 4.248 0.00 . 1 . . . . . 71 GLU HA . 27595 1 737 . 1 1 71 71 GLU HB2 H 1 2.086 0.03 . 2 . . . . . 71 GLU HB2 . 27595 1 738 . 1 1 71 71 GLU HB3 H 1 2.083 0.03 . 2 . . . . . 71 GLU HB3 . 27595 1 739 . 1 1 71 71 GLU HG2 H 1 2.276 0.00 . 2 . . . . . 71 GLU HG2 . 27595 1 740 . 1 1 71 71 GLU HG3 H 1 2.276 0.00 . 2 . . . . . 71 GLU HG3 . 27595 1 741 . 1 1 71 71 GLU C C 13 178.356 0.05 . 1 . . . . . 71 GLU C . 27595 1 742 . 1 1 71 71 GLU CA C 13 58.038 0.01 . 1 . . . . . 71 GLU CA . 27595 1 743 . 1 1 71 71 GLU CB C 13 29.818 0.09 . 1 . . . . . 71 GLU CB . 27595 1 744 . 1 1 71 71 GLU CG C 13 36.551 0.00 . 1 . . . . . 71 GLU CG . 27595 1 745 . 1 1 71 71 GLU N N 15 119.489 0.04 . 1 . . . . . 71 GLU N . 27595 1 746 . 1 1 72 72 ILE H H 1 7.322 0.00 . 1 . . . . . 72 ILE H . 27595 1 747 . 1 1 72 72 ILE HA H 1 4.389 0.02 . 1 . . . . . 72 ILE HA . 27595 1 748 . 1 1 72 72 ILE HB H 1 2.167 0.03 . 1 . . . . . 72 ILE HB . 27595 1 749 . 1 1 72 72 ILE HG12 H 1 1.464 0.00 . 2 . . . . . 72 ILE HG12 . 27595 1 750 . 1 1 72 72 ILE HG13 H 1 1.466 0.00 . 2 . . . . . 72 ILE HG13 . 27595 1 751 . 1 1 72 72 ILE HG21 H 1 0.813 0.00 . 1 . . . . . 72 ILE HG2 . 27595 1 752 . 1 1 72 72 ILE HG22 H 1 0.813 0.00 . 1 . . . . . 72 ILE HG2 . 27595 1 753 . 1 1 72 72 ILE HG23 H 1 0.813 0.00 . 1 . . . . . 72 ILE HG2 . 27595 1 754 . 1 1 72 72 ILE HD11 H 1 0.410 0.01 . 1 . . . . . 72 ILE HD1 . 27595 1 755 . 1 1 72 72 ILE HD12 H 1 0.410 0.01 . 1 . . . . . 72 ILE HD1 . 27595 1 756 . 1 1 72 72 ILE HD13 H 1 0.410 0.01 . 1 . . . . . 72 ILE HD1 . 27595 1 757 . 1 1 72 72 ILE C C 13 177.391 0.01 . 1 . . . . . 72 ILE C . 27595 1 758 . 1 1 72 72 ILE CA C 13 62.694 0.04 . 1 . . . . . 72 ILE CA . 27595 1 759 . 1 1 72 72 ILE CB C 13 38.898 0.07 . 1 . . . . . 72 ILE CB . 27595 1 760 . 1 1 72 72 ILE CG1 C 13 26.661 0.00 . 1 . . . . . 72 ILE CG1 . 27595 1 761 . 1 1 72 72 ILE CG2 C 13 17.647 0.00 . 1 . . . . . 72 ILE CG2 . 27595 1 762 . 1 1 72 72 ILE CD1 C 13 14.199 0.00 . 1 . . . . . 72 ILE CD1 . 27595 1 763 . 1 1 72 72 ILE N N 15 113.579 0.07 . 1 . . . . . 72 ILE N . 27595 1 764 . 1 1 73 73 VAL H H 1 7.481 0.00 . 1 . . . . . 73 VAL H . 27595 1 765 . 1 1 73 73 VAL HA H 1 3.986 0.00 . 1 . . . . . 73 VAL HA . 27595 1 766 . 1 1 73 73 VAL HB H 1 2.192 0.01 . 1 . . . . . 73 VAL HB . 27595 1 767 . 1 1 73 73 VAL HG11 H 1 0.990 0.00 . 2 . . . . . 73 VAL HG1 . 27595 1 768 . 1 1 73 73 VAL HG12 H 1 0.990 0.00 . 2 . . . . . 73 VAL HG1 . 27595 1 769 . 1 1 73 73 VAL HG13 H 1 0.990 0.00 . 2 . . . . . 73 VAL HG1 . 27595 1 770 . 1 1 73 73 VAL HG21 H 1 0.99 9.32 . 2 . . . . . 73 VAL HG2 . 27595 1 771 . 1 1 73 73 VAL HG22 H 1 0.99 9.32 . 2 . . . . . 73 VAL HG2 . 27595 1 772 . 1 1 73 73 VAL HG23 H 1 0.99 9.32 . 2 . . . . . 73 VAL HG2 . 27595 1 773 . 1 1 73 73 VAL C C 13 178.167 0.01 . 1 . . . . . 73 VAL C . 27595 1 774 . 1 1 73 73 VAL CA C 13 66.055 0.03 . 1 . . . . . 73 VAL CA . 27595 1 775 . 1 1 73 73 VAL CB C 13 31.556 0.08 . 1 . . . . . 73 VAL CB . 27595 1 776 . 1 1 73 73 VAL CG1 C 13 21.346 0.00 . 2 . . . . . 73 VAL CG1 . 27595 1 777 . 1 1 73 73 VAL N N 15 116.420 0.05 . 1 . . . . . 73 VAL N . 27595 1 778 . 1 1 74 74 GLU H H 1 8.133 0.00 . 1 . . . . . 74 GLU H . 27595 1 779 . 1 1 74 74 GLU HA H 1 4.274 0.01 . 1 . . . . . 74 GLU HA . 27595 1 780 . 1 1 74 74 GLU HB2 H 1 2.054 0.01 . 2 . . . . . 74 GLU HB2 . 27595 1 781 . 1 1 74 74 GLU HB3 H 1 2.053 0.01 . 2 . . . . . 74 GLU HB3 . 27595 1 782 . 1 1 74 74 GLU HG2 H 1 2.345 0.00 . 2 . . . . . 74 GLU HG2 . 27595 1 783 . 1 1 74 74 GLU HG3 H 1 2.345 0.00 . 2 . . . . . 74 GLU HG3 . 27595 1 784 . 1 1 74 74 GLU C C 13 179.155 0.02 . 1 . . . . . 74 GLU C . 27595 1 785 . 1 1 74 74 GLU CA C 13 59.097 0.10 . 1 . . . . . 74 GLU CA . 27595 1 786 . 1 1 74 74 GLU CB C 13 29.433 0.07 . 1 . . . . . 74 GLU CB . 27595 1 787 . 1 1 74 74 GLU CG C 13 36.684 0.00 . 1 . . . . . 74 GLU CG . 27595 1 788 . 1 1 74 74 GLU N N 15 119.787 0.05 . 1 . . . . . 74 GLU N . 27595 1 789 . 1 1 75 75 GLU H H 1 7.802 0.00 . 1 . . . . . 75 GLU H . 27595 1 790 . 1 1 75 75 GLU HA H 1 3.933 0.00 . 1 . . . . . 75 GLU HA . 27595 1 791 . 1 1 75 75 GLU HB2 H 1 1.921 0.01 . 2 . . . . . 75 GLU HB2 . 27595 1 792 . 1 1 75 75 GLU HB3 H 1 1.644 0.01 . 2 . . . . . 75 GLU HB3 . 27595 1 793 . 1 1 75 75 GLU HG2 H 1 2.049 0.00 . 2 . . . . . 75 GLU HG2 . 27595 1 794 . 1 1 75 75 GLU HG3 H 1 2.049 0.00 . 2 . . . . . 75 GLU HG3 . 27595 1 795 . 1 1 75 75 GLU C C 13 176.841 0.02 . 1 . . . . . 75 GLU C . 27595 1 796 . 1 1 75 75 GLU CA C 13 57.815 0.06 . 1 . . . . . 75 GLU CA . 27595 1 797 . 1 1 75 75 GLU CB C 13 29.290 0.06 . 1 . . . . . 75 GLU CB . 27595 1 798 . 1 1 75 75 GLU CG C 13 35.833 0.00 . 1 . . . . . 75 GLU CG . 27595 1 799 . 1 1 75 75 GLU N N 15 119.206 0.03 . 1 . . . . . 75 GLU N . 27595 1 800 . 1 1 76 76 PHE H H 1 7.571 0.00 . 1 . . . . . 76 PHE H . 27595 1 801 . 1 1 76 76 PHE HA H 1 4.434 0.03 . 1 . . . . . 76 PHE HA . 27595 1 802 . 1 1 76 76 PHE HB2 H 1 3.440 0.01 . 2 . . . . . 76 PHE HB2 . 27595 1 803 . 1 1 76 76 PHE HB3 H 1 2.693 0.01 . 2 . . . . . 76 PHE HB3 . 27595 1 804 . 1 1 76 76 PHE C C 13 173.713 0.02 . 1 . . . . . 76 PHE C . 27595 1 805 . 1 1 76 76 PHE CA C 13 58.748 0.08 . 1 . . . . . 76 PHE CA . 27595 1 806 . 1 1 76 76 PHE CB C 13 39.319 0.07 . 1 . . . . . 76 PHE CB . 27595 1 807 . 1 1 76 76 PHE N N 15 115.891 0.04 . 1 . . . . . 76 PHE N . 27595 1 808 . 1 1 77 77 ASN H H 1 7.745 0.00 . 1 . . . . . 77 ASN H . 27595 1 809 . 1 1 77 77 ASN HA H 1 4.403 0.01 . 1 . . . . . 77 ASN HA . 27595 1 810 . 1 1 77 77 ASN HB2 H 1 2.951 0.02 . 2 . . . . . 77 ASN HB2 . 27595 1 811 . 1 1 77 77 ASN HB3 H 1 2.658 0.02 . 2 . . . . . 77 ASN HB3 . 27595 1 812 . 1 1 77 77 ASN C C 13 174.809 0.04 . 1 . . . . . 77 ASN C . 27595 1 813 . 1 1 77 77 ASN CA C 13 54.549 0.06 . 1 . . . . . 77 ASN CA . 27595 1 814 . 1 1 77 77 ASN CB C 13 37.865 0.06 . 1 . . . . . 77 ASN CB . 27595 1 815 . 1 1 77 77 ASN N N 15 112.101 0.09 . 1 . . . . . 77 ASN N . 27595 1 816 . 1 1 78 78 PHE H H 1 7.927 0.00 . 1 . . . . . 78 PHE H . 27595 1 817 . 1 1 78 78 PHE C C 13 174.314 0.00 . 1 . . . . . 78 PHE C . 27595 1 818 . 1 1 78 78 PHE CA C 13 57.315 0.00 . 1 . . . . . 78 PHE CA . 27595 1 819 . 1 1 78 78 PHE CB C 13 38.965 0.00 . 1 . . . . . 78 PHE CB . 27595 1 820 . 1 1 78 78 PHE N N 15 118.596 0.03 . 1 . . . . . 78 PHE N . 27595 1 821 . 1 1 79 79 PRO HA H 1 4.491 0.01 . 1 . . . . . 79 PRO HA . 27595 1 822 . 1 1 79 79 PRO HB2 H 1 2.344 0.01 . 2 . . . . . 79 PRO HB2 . 27595 1 823 . 1 1 79 79 PRO HB3 H 1 2.229 0.17 . 2 . . . . . 79 PRO HB3 . 27595 1 824 . 1 1 79 79 PRO HG2 H 1 2.053 0.00 . 2 . . . . . 79 PRO HG2 . 27595 1 825 . 1 1 79 79 PRO HG3 H 1 2.053 0.00 . 2 . . . . . 79 PRO HG3 . 27595 1 826 . 1 1 79 79 PRO HD2 H 1 3.570 0.00 . 2 . . . . . 79 PRO HD2 . 27595 1 827 . 1 1 79 79 PRO HD3 H 1 3.570 0.00 . 2 . . . . . 79 PRO HD3 . 27595 1 828 . 1 1 79 79 PRO C C 13 177.645 0.01 . 1 . . . . . 79 PRO C . 27595 1 829 . 1 1 79 79 PRO CA C 13 62.861 0.05 . 1 . . . . . 79 PRO CA . 27595 1 830 . 1 1 79 79 PRO CB C 13 32.228 0.06 . 1 . . . . . 79 PRO CB . 27595 1 831 . 1 1 79 79 PRO CG C 13 27.721 0.00 . 1 . . . . . 79 PRO CG . 27595 1 832 . 1 1 79 79 PRO CD C 13 50.746 0.00 . 1 . . . . . 79 PRO CD . 27595 1 833 . 1 1 80 80 ARG H H 1 8.692 0.00 . 1 . . . . . 80 ARG H . 27595 1 834 . 1 1 80 80 ARG HA H 1 4.175 0.01 . 1 . . . . . 80 ARG HA . 27595 1 835 . 1 1 80 80 ARG HB2 H 1 1.783 0.02 . 2 . . . . . 80 ARG HB2 . 27595 1 836 . 1 1 80 80 ARG HB3 H 1 1.783 0.02 . 2 . . . . . 80 ARG HB3 . 27595 1 837 . 1 1 80 80 ARG HD2 H 1 3.218 0.00 . 2 . . . . . 80 ARG HD2 . 27595 1 838 . 1 1 80 80 ARG HD3 H 1 3.221 0.00 . 2 . . . . . 80 ARG HD3 . 27595 1 839 . 1 1 80 80 ARG C C 13 176.700 0.03 . 1 . . . . . 80 ARG C . 27595 1 840 . 1 1 80 80 ARG CA C 13 57.452 0.05 . 1 . . . . . 80 ARG CA . 27595 1 841 . 1 1 80 80 ARG CB C 13 30.134 0.05 . 1 . . . . . 80 ARG CB . 27595 1 842 . 1 1 80 80 ARG CG C 13 27.274 0.00 . 1 . . . . . 80 ARG CG . 27595 1 843 . 1 1 80 80 ARG CD C 13 43.188 0.00 . 1 . . . . . 80 ARG CD . 27595 1 844 . 1 1 80 80 ARG N N 15 122.144 0.11 . 1 . . . . . 80 ARG N . 27595 1 845 . 1 1 81 81 SER H H 1 8.009 0.00 . 1 . . . . . 81 SER H . 27595 1 846 . 1 1 81 81 SER HA H 1 4.264 0.01 . 1 . . . . . 81 SER HA . 27595 1 847 . 1 1 81 81 SER HB2 H 1 3.917 0.05 . 2 . . . . . 81 SER HB2 . 27595 1 848 . 1 1 81 81 SER HB3 H 1 3.896 0.05 . 2 . . . . . 81 SER HB3 . 27595 1 849 . 1 1 81 81 SER C C 13 174.299 0.02 . 1 . . . . . 81 SER C . 27595 1 850 . 1 1 81 81 SER CA C 13 58.410 0.08 . 1 . . . . . 81 SER CA . 27595 1 851 . 1 1 81 81 SER CB C 13 62.899 0.06 . 1 . . . . . 81 SER CB . 27595 1 852 . 1 1 81 81 SER N N 15 111.744 0.11 . 1 . . . . . 81 SER N . 27595 1 853 . 1 1 82 82 CYS H H 1 7.735 0.00 . 1 . . . . . 82 CYS H . 27595 1 854 . 1 1 82 82 CYS C C 13 175.244 0.00 . 1 . . . . . 82 CYS C . 27595 1 855 . 1 1 82 82 CYS CA C 13 58.491 0.00 . 1 . . . . . 82 CYS CA . 27595 1 856 . 1 1 82 82 CYS CB C 13 27.472 0.00 . 1 . . . . . 82 CYS CB . 27595 1 857 . 1 1 82 82 CYS N N 15 121.988 0.06 . 1 . . . . . 82 CYS N . 27595 1 858 . 1 1 84 84 ASN HA H 1 4.884 0.00 . 1 . . . . . 84 ASN HA . 27595 1 859 . 1 1 84 84 ASN HB2 H 1 3.045 0.00 . 2 . . . . . 84 ASN HB2 . 27595 1 860 . 1 1 84 84 ASN HB3 H 1 2.845 0.02 . 2 . . . . . 84 ASN HB3 . 27595 1 861 . 1 1 84 84 ASN C C 13 175.668 0.00 . 1 . . . . . 84 ASN C . 27595 1 862 . 1 1 84 84 ASN CA C 13 53.078 0.04 . 1 . . . . . 84 ASN CA . 27595 1 863 . 1 1 84 84 ASN CB C 13 38.311 0.08 . 1 . . . . . 84 ASN CB . 27595 1 864 . 1 1 85 85 ALA H H 1 7.917 0.01 . 1 . . . . . 85 ALA H . 27595 1 865 . 1 1 85 85 ALA HA H 1 3.716 0.00 . 1 . . . . . 85 ALA HA . 27595 1 866 . 1 1 85 85 ALA HB1 H 1 1.169 0.04 . 1 . . . . . 85 ALA HB . 27595 1 867 . 1 1 85 85 ALA HB2 H 1 1.169 0.04 . 1 . . . . . 85 ALA HB . 27595 1 868 . 1 1 85 85 ALA HB3 H 1 1.169 0.04 . 1 . . . . . 85 ALA HB . 27595 1 869 . 1 1 85 85 ALA C C 13 177.568 0.07 . 1 . . . . . 85 ALA C . 27595 1 870 . 1 1 85 85 ALA CA C 13 55.670 0.06 . 1 . . . . . 85 ALA CA . 27595 1 871 . 1 1 85 85 ALA CB C 13 19.617 0.11 . 1 . . . . . 85 ALA CB . 27595 1 872 . 1 1 85 85 ALA N N 15 124.596 0.09 . 1 . . . . . 85 ALA N . 27595 1 873 . 1 1 86 86 ALA H H 1 8.380 0.00 . 1 . . . . . 86 ALA H . 27595 1 874 . 1 1 86 86 ALA HA H 1 3.582 0.01 . 1 . . . . . 86 ALA HA . 27595 1 875 . 1 1 86 86 ALA HB1 H 1 1.300 0.03 . 1 . . . . . 86 ALA HB . 27595 1 876 . 1 1 86 86 ALA HB2 H 1 1.300 0.03 . 1 . . . . . 86 ALA HB . 27595 1 877 . 1 1 86 86 ALA HB3 H 1 1.300 0.03 . 1 . . . . . 86 ALA HB . 27595 1 878 . 1 1 86 86 ALA C C 13 178.686 0.06 . 1 . . . . . 86 ALA C . 27595 1 879 . 1 1 86 86 ALA CA C 13 55.553 0.03 . 1 . . . . . 86 ALA CA . 27595 1 880 . 1 1 86 86 ALA CB C 13 17.833 0.11 . 1 . . . . . 86 ALA CB . 27595 1 881 . 1 1 86 86 ALA N N 15 118.670 0.04 . 1 . . . . . 86 ALA N . 27595 1 882 . 1 1 87 87 PHE H H 1 7.517 0.00 . 1 . . . . . 87 PHE H . 27595 1 883 . 1 1 87 87 PHE HB2 H 1 2.998 0.02 . 2 . . . . . 87 PHE HB2 . 27595 1 884 . 1 1 87 87 PHE HB3 H 1 2.998 0.02 . 2 . . . . . 87 PHE HB3 . 27595 1 885 . 1 1 87 87 PHE C C 13 177.022 0.03 . 1 . . . . . 87 PHE C . 27595 1 886 . 1 1 87 87 PHE CA C 13 60.520 0.02 . 1 . . . . . 87 PHE CA . 27595 1 887 . 1 1 87 87 PHE CB C 13 39.009 0.07 . 1 . . . . . 87 PHE CB . 27595 1 888 . 1 1 87 87 PHE N N 15 117.581 0.03 . 1 . . . . . 87 PHE N . 27595 1 889 . 1 1 88 88 ALA H H 1 8.035 0.00 . 1 . . . . . 88 ALA H . 27595 1 890 . 1 1 88 88 ALA HA H 1 3.687 0.01 . 1 . . . . . 88 ALA HA . 27595 1 891 . 1 1 88 88 ALA HB1 H 1 1.346 0.02 . 1 . . . . . 88 ALA HB . 27595 1 892 . 1 1 88 88 ALA HB2 H 1 1.346 0.02 . 1 . . . . . 88 ALA HB . 27595 1 893 . 1 1 88 88 ALA HB3 H 1 1.346 0.02 . 1 . . . . . 88 ALA HB . 27595 1 894 . 1 1 88 88 ALA C C 13 179.623 0.01 . 1 . . . . . 88 ALA C . 27595 1 895 . 1 1 88 88 ALA CA C 13 54.697 0.05 . 1 . . . . . 88 ALA CA . 27595 1 896 . 1 1 88 88 ALA CB C 13 17.932 0.12 . 1 . . . . . 88 ALA CB . 27595 1 897 . 1 1 88 88 ALA N N 15 121.690 0.08 . 1 . . . . . 88 ALA N . 27595 1 898 . 1 1 89 89 LEU H H 1 8.326 0.00 . 1 . . . . . 89 LEU H . 27595 1 899 . 1 1 89 89 LEU HA H 1 4.297 0.02 . 1 . . . . . 89 LEU HA . 27595 1 900 . 1 1 89 89 LEU HB2 H 1 1.721 0.00 . 2 . . . . . 89 LEU HB2 . 27595 1 901 . 1 1 89 89 LEU HB3 H 1 1.306 0.00 . 2 . . . . . 89 LEU HB3 . 27595 1 902 . 1 1 89 89 LEU HD11 H 1 1.068 0.00 . 2 . . . . . 89 LEU HD1 . 27595 1 903 . 1 1 89 89 LEU HD12 H 1 1.068 0.00 . 2 . . . . . 89 LEU HD1 . 27595 1 904 . 1 1 89 89 LEU HD13 H 1 1.068 0.00 . 2 . . . . . 89 LEU HD1 . 27595 1 905 . 1 1 89 89 LEU HD21 H 1 1.063 0.00 . 2 . . . . . 89 LEU HD2 . 27595 1 906 . 1 1 89 89 LEU HD22 H 1 1.063 0.00 . 2 . . . . . 89 LEU HD2 . 27595 1 907 . 1 1 89 89 LEU HD23 H 1 1.063 0.00 . 2 . . . . . 89 LEU HD2 . 27595 1 908 . 1 1 89 89 LEU C C 13 177.334 0.02 . 1 . . . . . 89 LEU C . 27595 1 909 . 1 1 89 89 LEU CA C 13 57.946 0.07 . 1 . . . . . 89 LEU CA . 27595 1 910 . 1 1 89 89 LEU CB C 13 41.428 0.07 . 1 . . . . . 89 LEU CB . 27595 1 911 . 1 1 89 89 LEU CG C 13 26.947 0.00 . 1 . . . . . 89 LEU CG . 27595 1 912 . 1 1 89 89 LEU CD1 C 13 23.987 0.00 . 2 . . . . . 89 LEU CD1 . 27595 1 913 . 1 1 89 89 LEU CD2 C 13 23.987 0.00 . 2 . . . . . 89 LEU CD2 . 27595 1 914 . 1 1 89 89 LEU N N 15 118.354 0.04 . 1 . . . . . 89 LEU N . 27595 1 915 . 1 1 90 90 LYS H H 1 7.097 0.01 . 1 . . . . . 90 LYS H . 27595 1 916 . 1 1 90 90 LYS HA H 1 4.590 0.00 . 1 . . . . . 90 LYS HA . 27595 1 917 . 1 1 90 90 LYS HB2 H 1 2.017 0.00 . 2 . . . . . 90 LYS HB2 . 27595 1 918 . 1 1 90 90 LYS HB3 H 1 2.040 0.02 . 2 . . . . . 90 LYS HB3 . 27595 1 919 . 1 1 90 90 LYS HG2 H 1 1.248 0.00 . 2 . . . . . 90 LYS HG2 . 27595 1 920 . 1 1 90 90 LYS HG3 H 1 1.248 0.00 . 2 . . . . . 90 LYS HG3 . 27595 1 921 . 1 1 90 90 LYS HE2 H 1 2.808 0.00 . 2 . . . . . 90 LYS HE2 . 27595 1 922 . 1 1 90 90 LYS HE3 H 1 2.808 0.00 . 2 . . . . . 90 LYS HE3 . 27595 1 923 . 1 1 90 90 LYS C C 13 178.105 0.01 . 1 . . . . . 90 LYS C . 27595 1 924 . 1 1 90 90 LYS CA C 13 59.328 0.06 . 1 . . . . . 90 LYS CA . 27595 1 925 . 1 1 90 90 LYS CB C 13 31.910 0.09 . 1 . . . . . 90 LYS CB . 27595 1 926 . 1 1 90 90 LYS CG C 13 25.223 0.00 . 1 . . . . . 90 LYS CG . 27595 1 927 . 1 1 90 90 LYS CD C 13 34.588 0.00 . 1 . . . . . 90 LYS CD . 27595 1 928 . 1 1 90 90 LYS CE C 13 41.956 0.00 . 1 . . . . . 90 LYS CE . 27595 1 929 . 1 1 90 90 LYS N N 15 120.373 0.13 . 1 . . . . . 90 LYS N . 27595 1 930 . 1 1 91 91 GLN H H 1 7.723 0.00 . 1 . . . . . 91 GLN H . 27595 1 931 . 1 1 91 91 GLN HA H 1 4.313 0.03 . 1 . . . . . 91 GLN HA . 27595 1 932 . 1 1 91 91 GLN HB2 H 1 1.724 0.04 . 2 . . . . . 91 GLN HB2 . 27595 1 933 . 1 1 91 91 GLN HB3 H 1 1.724 0.04 . 2 . . . . . 91 GLN HB3 . 27595 1 934 . 1 1 91 91 GLN HG2 H 1 2.478 0.00 . 2 . . . . . 91 GLN HG2 . 27595 1 935 . 1 1 91 91 GLN HG3 H 1 2.478 0.00 . 2 . . . . . 91 GLN HG3 . 27595 1 936 . 1 1 91 91 GLN C C 13 179.776 0.06 . 1 . . . . . 91 GLN C . 27595 1 937 . 1 1 91 91 GLN CA C 13 58.377 0.12 . 1 . . . . . 91 GLN CA . 27595 1 938 . 1 1 91 91 GLN CB C 13 28.471 0.84 . 1 . . . . . 91 GLN CB . 27595 1 939 . 1 1 91 91 GLN CG C 13 33.896 0.00 . 1 . . . . . 91 GLN CG . 27595 1 940 . 1 1 91 91 GLN N N 15 116.435 0.08 . 1 . . . . . 91 GLN N . 27595 1 941 . 1 1 92 92 TYR H H 1 8.456 0.00 . 1 . . . . . 92 TYR H . 27595 1 942 . 1 1 92 92 TYR HA H 1 4.532 0.03 . 1 . . . . . 92 TYR HA . 27595 1 943 . 1 1 92 92 TYR HB2 H 1 3.190 0.01 . 2 . . . . . 92 TYR HB2 . 27595 1 944 . 1 1 92 92 TYR HB3 H 1 2.909 0.02 . 2 . . . . . 92 TYR HB3 . 27595 1 945 . 1 1 92 92 TYR C C 13 178.463 0.01 . 1 . . . . . 92 TYR C . 27595 1 946 . 1 1 92 92 TYR CA C 13 59.814 0.06 . 1 . . . . . 92 TYR CA . 27595 1 947 . 1 1 92 92 TYR CB C 13 37.317 0.09 . 1 . . . . . 92 TYR CB . 27595 1 948 . 1 1 92 92 TYR N N 15 120.562 0.04 . 1 . . . . . 92 TYR N . 27595 1 949 . 1 1 93 93 TYR H H 1 8.920 0.00 . 1 . . . . . 93 TYR H . 27595 1 950 . 1 1 93 93 TYR HA H 1 3.822 0.01 . 1 . . . . . 93 TYR HA . 27595 1 951 . 1 1 93 93 TYR HB2 H 1 3.460 0.02 . 2 . . . . . 93 TYR HB2 . 27595 1 952 . 1 1 93 93 TYR HB3 H 1 3.044 0.02 . 2 . . . . . 93 TYR HB3 . 27595 1 953 . 1 1 93 93 TYR HH H 1 9.294 0.00 . 1 . . . . . 93 TYR HH . 27595 1 954 . 1 1 93 93 TYR C C 13 179.580 0.01 . 1 . . . . . 93 TYR C . 27595 1 955 . 1 1 93 93 TYR CA C 13 62.976 0.04 . 1 . . . . . 93 TYR CA . 27595 1 956 . 1 1 93 93 TYR CB C 13 39.759 0.05 . 1 . . . . . 93 TYR CB . 27595 1 957 . 1 1 93 93 TYR N N 15 122.486 0.07 . 1 . . . . . 93 TYR N . 27595 1 958 . 1 1 94 94 LEU H H 1 8.765 0.03 . 1 . . . . . 94 LEU H . 27595 1 959 . 1 1 94 94 LEU HA H 1 3.738 0.02 . 1 . . . . . 94 LEU HA . 27595 1 960 . 1 1 94 94 LEU HB2 H 1 1.644 0.02 . 2 . . . . . 94 LEU HB2 . 27595 1 961 . 1 1 94 94 LEU HB3 H 1 1.644 0.02 . 2 . . . . . 94 LEU HB3 . 27595 1 962 . 1 1 94 94 LEU HG H 1 1.665 0.00 . 1 . . . . . 94 LEU HG . 27595 1 963 . 1 1 94 94 LEU HD11 H 1 0.641 0.00 . 2 . . . . . 94 LEU HD1 . 27595 1 964 . 1 1 94 94 LEU HD12 H 1 0.641 0.00 . 2 . . . . . 94 LEU HD1 . 27595 1 965 . 1 1 94 94 LEU HD13 H 1 0.641 0.00 . 2 . . . . . 94 LEU HD1 . 27595 1 966 . 1 1 94 94 LEU HD21 H 1 0.641 0.00 . 2 . . . . . 94 LEU HD2 . 27595 1 967 . 1 1 94 94 LEU HD22 H 1 0.641 0.00 . 2 . . . . . 94 LEU HD2 . 27595 1 968 . 1 1 94 94 LEU HD23 H 1 0.641 0.00 . 2 . . . . . 94 LEU HD2 . 27595 1 969 . 1 1 94 94 LEU C C 13 178.676 0.03 . 1 . . . . . 94 LEU C . 27595 1 970 . 1 1 94 94 LEU CA C 13 58.537 0.10 . 1 . . . . . 94 LEU CA . 27595 1 971 . 1 1 94 94 LEU CB C 13 41.965 0.08 . 1 . . . . . 94 LEU CB . 27595 1 972 . 1 1 94 94 LEU CG C 13 27.041 0.00 . 1 . . . . . 94 LEU CG . 27595 1 973 . 1 1 94 94 LEU CD1 C 13 24.117 0.00 . 2 . . . . . 94 LEU CD1 . 27595 1 974 . 1 1 94 94 LEU CD2 C 13 24.117 0.00 . 2 . . . . . 94 LEU CD2 . 27595 1 975 . 1 1 94 94 LEU N N 15 121.667 0.07 . 1 . . . . . 94 LEU N . 27595 1 976 . 1 1 95 95 ARG H H 1 7.971 0.00 . 1 . . . . . 95 ARG H . 27595 1 977 . 1 1 95 95 ARG HA H 1 4.023 0.01 . 1 . . . . . 95 ARG HA . 27595 1 978 . 1 1 95 95 ARG HB2 H 1 1.345 0.03 . 2 . . . . . 95 ARG HB2 . 27595 1 979 . 1 1 95 95 ARG HB3 H 1 1.345 0.03 . 2 . . . . . 95 ARG HB3 . 27595 1 980 . 1 1 95 95 ARG HG2 H 1 0.985 0.00 . 2 . . . . . 95 ARG HG2 . 27595 1 981 . 1 1 95 95 ARG HG3 H 1 0.599 0.00 . 2 . . . . . 95 ARG HG3 . 27595 1 982 . 1 1 95 95 ARG HD2 H 1 2.895 0.00 . 2 . . . . . 95 ARG HD2 . 27595 1 983 . 1 1 95 95 ARG HD3 H 1 2.895 0.00 . 2 . . . . . 95 ARG HD3 . 27595 1 984 . 1 1 95 95 ARG C C 13 178.076 0.03 . 1 . . . . . 95 ARG C . 27595 1 985 . 1 1 95 95 ARG CA C 13 58.399 0.04 . 1 . . . . . 95 ARG CA . 27595 1 986 . 1 1 95 95 ARG CB C 13 29.868 0.06 . 1 . . . . . 95 ARG CB . 27595 1 987 . 1 1 95 95 ARG CG C 13 27.006 0.00 . 1 . . . . . 95 ARG CG . 27595 1 988 . 1 1 95 95 ARG CD C 13 42.456 0.00 . 1 . . . . . 95 ARG CD . 27595 1 989 . 1 1 95 95 ARG N N 15 118.182 0.27 . 1 . . . . . 95 ARG N . 27595 1 990 . 1 1 96 96 TYR H H 1 8.203 0.00 . 1 . . . . . 96 TYR H . 27595 1 991 . 1 1 96 96 TYR HA H 1 4.566 0.01 . 1 . . . . . 96 TYR HA . 27595 1 992 . 1 1 96 96 TYR HB2 H 1 2.716 0.02 . 2 . . . . . 96 TYR HB2 . 27595 1 993 . 1 1 96 96 TYR HB3 H 1 2.477 0.01 . 2 . . . . . 96 TYR HB3 . 27595 1 994 . 1 1 96 96 TYR HH H 1 9.298 0.00 . 1 . . . . . 96 TYR HH . 27595 1 995 . 1 1 96 96 TYR C C 13 178.353 0.03 . 1 . . . . . 96 TYR C . 27595 1 996 . 1 1 96 96 TYR CA C 13 60.694 0.12 . 1 . . . . . 96 TYR CA . 27595 1 997 . 1 1 96 96 TYR CB C 13 41.255 0.07 . 1 . . . . . 96 TYR CB . 27595 1 998 . 1 1 96 96 TYR N N 15 111.310 0.09 . 1 . . . . . 96 TYR N . 27595 1 999 . 1 1 97 97 LEU H H 1 8.865 0.00 . 1 . . . . . 97 LEU H . 27595 1 1000 . 1 1 97 97 LEU HA H 1 4.753 0.00 . 1 . . . . . 97 LEU HA . 27595 1 1001 . 1 1 97 97 LEU HB2 H 1 1.640 0.01 . 2 . . . . . 97 LEU HB2 . 27595 1 1002 . 1 1 97 97 LEU HB3 H 1 1.650 0.00 . 2 . . . . . 97 LEU HB3 . 27595 1 1003 . 1 1 97 97 LEU HD11 H 1 0.511 0.00 . 2 . . . . . 97 LEU HD1 . 27595 1 1004 . 1 1 97 97 LEU HD12 H 1 0.511 0.00 . 2 . . . . . 97 LEU HD1 . 27595 1 1005 . 1 1 97 97 LEU HD13 H 1 0.511 0.00 . 2 . . . . . 97 LEU HD1 . 27595 1 1006 . 1 1 97 97 LEU HD21 H 1 0.511 0.00 . 2 . . . . . 97 LEU HD2 . 27595 1 1007 . 1 1 97 97 LEU HD22 H 1 0.511 0.00 . 2 . . . . . 97 LEU HD2 . 27595 1 1008 . 1 1 97 97 LEU HD23 H 1 0.511 0.00 . 2 . . . . . 97 LEU HD2 . 27595 1 1009 . 1 1 97 97 LEU C C 13 176.874 0.04 . 1 . . . . . 97 LEU C . 27595 1 1010 . 1 1 97 97 LEU CA C 13 56.064 0.03 . 1 . . . . . 97 LEU CA . 27595 1 1011 . 1 1 97 97 LEU CB C 13 44.516 0.05 . 1 . . . . . 97 LEU CB . 27595 1 1012 . 1 1 97 97 LEU CG C 13 28.014 0.00 . 1 . . . . . 97 LEU CG . 27595 1 1013 . 1 1 97 97 LEU CD1 C 13 24.229 0.00 . 2 . . . . . 97 LEU CD1 . 27595 1 1014 . 1 1 97 97 LEU N N 15 120.547 0.07 . 1 . . . . . 97 LEU N . 27595 1 1015 . 1 1 98 98 GLU H H 1 7.889 0.00 . 1 . . . . . 98 GLU H . 27595 1 1016 . 1 1 98 98 GLU HA H 1 3.962 0.02 . 1 . . . . . 98 GLU HA . 27595 1 1017 . 1 1 98 98 GLU HB2 H 1 2.379 0.01 . 2 . . . . . 98 GLU HB2 . 27595 1 1018 . 1 1 98 98 GLU HB3 H 1 2.377 0.01 . 2 . . . . . 98 GLU HB3 . 27595 1 1019 . 1 1 98 98 GLU HG2 H 1 2.164 0.00 . 2 . . . . . 98 GLU HG2 . 27595 1 1020 . 1 1 98 98 GLU HG3 H 1 1.835 0.00 . 2 . . . . . 98 GLU HG3 . 27595 1 1021 . 1 1 98 98 GLU C C 13 176.967 0.03 . 1 . . . . . 98 GLU C . 27595 1 1022 . 1 1 98 98 GLU CA C 13 62.580 0.03 . 1 . . . . . 98 GLU CA . 27595 1 1023 . 1 1 98 98 GLU CB C 13 30.040 0.08 . 1 . . . . . 98 GLU CB . 27595 1 1024 . 1 1 98 98 GLU CG C 13 34.749 0.00 . 1 . . . . . 98 GLU CG . 27595 1 1025 . 1 1 98 98 GLU N N 15 122.933 0.10 . 1 . . . . . 98 GLU N . 27595 1 1026 . 1 1 99 99 LYS H H 1 8.470 0.00 . 1 . . . . . 99 LYS H . 27595 1 1027 . 1 1 99 99 LYS HA H 1 4.142 0.01 . 1 . . . . . 99 LYS HA . 27595 1 1028 . 1 1 99 99 LYS HB2 H 1 1.817 0.02 . 2 . . . . . 99 LYS HB2 . 27595 1 1029 . 1 1 99 99 LYS HB3 H 1 1.826 0.02 . 2 . . . . . 99 LYS HB3 . 27595 1 1030 . 1 1 99 99 LYS HG2 H 1 1.795 0.00 . 2 . . . . . 99 LYS HG2 . 27595 1 1031 . 1 1 99 99 LYS HG3 H 1 1.657 0.00 . 2 . . . . . 99 LYS HG3 . 27595 1 1032 . 1 1 99 99 LYS C C 13 178.504 0.02 . 1 . . . . . 99 LYS C . 27595 1 1033 . 1 1 99 99 LYS CA C 13 58.858 0.07 . 1 . . . . . 99 LYS CA . 27595 1 1034 . 1 1 99 99 LYS CB C 13 31.283 0.10 . 1 . . . . . 99 LYS CB . 27595 1 1035 . 1 1 99 99 LYS CG C 13 25.291 0.00 . 1 . . . . . 99 LYS CG . 27595 1 1036 . 1 1 99 99 LYS CD C 13 28.645 0.00 . 1 . . . . . 99 LYS CD . 27595 1 1037 . 1 1 99 99 LYS N N 15 117.534 0.02 . 1 . . . . . 99 LYS N . 27595 1 1038 . 1 1 100 100 TYR H H 1 8.262 0.01 . 1 . . . . . 100 TYR H . 27595 1 1039 . 1 1 100 100 TYR HA H 1 3.082 0.02 . 1 . . . . . 100 TYR HA . 27595 1 1040 . 1 1 100 100 TYR HB2 H 1 2.764 0.03 . 2 . . . . . 100 TYR HB2 . 27595 1 1041 . 1 1 100 100 TYR HB3 H 1 1.956 0.02 . 2 . . . . . 100 TYR HB3 . 27595 1 1042 . 1 1 100 100 TYR C C 13 177.764 0.05 . 1 . . . . . 100 TYR C . 27595 1 1043 . 1 1 100 100 TYR CA C 13 61.937 0.07 . 1 . . . . . 100 TYR CA . 27595 1 1044 . 1 1 100 100 TYR CB C 13 37.674 0.06 . 1 . . . . . 100 TYR CB . 27595 1 1045 . 1 1 100 100 TYR N N 15 122.340 0.03 . 1 . . . . . 100 TYR N . 27595 1 1046 . 1 1 101 101 GLU H H 1 9.063 0.00 . 1 . . . . . 101 GLU H . 27595 1 1047 . 1 1 101 101 GLU HA H 1 4.526 0.02 . 1 . . . . . 101 GLU HA . 27595 1 1048 . 1 1 101 101 GLU HB2 H 1 2.777 0.02 . 2 . . . . . 101 GLU HB2 . 27595 1 1049 . 1 1 101 101 GLU HB3 H 1 2.781 0.02 . 2 . . . . . 101 GLU HB3 . 27595 1 1050 . 1 1 101 101 GLU HG2 H 1 2.441 0.00 . 2 . . . . . 101 GLU HG2 . 27595 1 1051 . 1 1 101 101 GLU HG3 H 1 2.441 0.00 . 2 . . . . . 101 GLU HG3 . 27595 1 1052 . 1 1 101 101 GLU C C 13 178.791 0.01 . 1 . . . . . 101 GLU C . 27595 1 1053 . 1 1 101 101 GLU CA C 13 59.652 0.05 . 1 . . . . . 101 GLU CA . 27595 1 1054 . 1 1 101 101 GLU CB C 13 30.664 0.13 . 1 . . . . . 101 GLU CB . 27595 1 1055 . 1 1 101 101 GLU CG C 13 37.731 0.00 . 1 . . . . . 101 GLU CG . 27595 1 1056 . 1 1 101 101 GLU N N 15 121.402 0.05 . 1 . . . . . 101 GLU N . 27595 1 1057 . 1 1 102 102 LYS H H 1 8.119 0.00 . 1 . . . . . 102 LYS H . 27595 1 1058 . 1 1 102 102 LYS HA H 1 4.255 0.01 . 1 . . . . . 102 LYS HA . 27595 1 1059 . 1 1 102 102 LYS HB2 H 1 2.054 0.03 . 2 . . . . . 102 LYS HB2 . 27595 1 1060 . 1 1 102 102 LYS HB3 H 1 2.054 0.03 . 2 . . . . . 102 LYS HB3 . 27595 1 1061 . 1 1 102 102 LYS HD2 H 1 1.739 0.01 . 2 . . . . . 102 LYS HD2 . 27595 1 1062 . 1 1 102 102 LYS HD3 H 1 1.676 0.06 . 2 . . . . . 102 LYS HD3 . 27595 1 1063 . 1 1 102 102 LYS HE2 H 1 3.020 0.00 . 2 . . . . . 102 LYS HE2 . 27595 1 1064 . 1 1 102 102 LYS HE3 H 1 3.020 0.00 . 2 . . . . . 102 LYS HE3 . 27595 1 1065 . 1 1 102 102 LYS C C 13 178.165 0.01 . 1 . . . . . 102 LYS C . 27595 1 1066 . 1 1 102 102 LYS CA C 13 59.761 0.05 . 1 . . . . . 102 LYS CA . 27595 1 1067 . 1 1 102 102 LYS CB C 13 32.634 0.06 . 1 . . . . . 102 LYS CB . 27595 1 1068 . 1 1 102 102 LYS CG C 13 25.102 0.00 . 1 . . . . . 102 LYS CG . 27595 1 1069 . 1 1 102 102 LYS CD C 13 29.240 0.00 . 1 . . . . . 102 LYS CD . 27595 1 1070 . 1 1 102 102 LYS CE C 13 42.276 0.00 . 1 . . . . . 102 LYS CE . 27595 1 1071 . 1 1 102 102 LYS N N 15 119.433 0.04 . 1 . . . . . 102 LYS N . 27595 1 1072 . 1 1 103 103 VAL H H 1 7.416 0.00 . 1 . . . . . 103 VAL H . 27595 1 1073 . 1 1 103 103 VAL HA H 1 3.846 0.00 . 1 . . . . . 103 VAL HA . 27595 1 1074 . 1 1 103 103 VAL HB H 1 1.741 0.02 . 1 . . . . . 103 VAL HB . 27595 1 1075 . 1 1 103 103 VAL HG11 H 1 1.033 0.00 . 2 . . . . . 103 VAL HG1 . 27595 1 1076 . 1 1 103 103 VAL HG12 H 1 1.033 0.00 . 2 . . . . . 103 VAL HG1 . 27595 1 1077 . 1 1 103 103 VAL HG13 H 1 1.033 0.00 . 2 . . . . . 103 VAL HG1 . 27595 1 1078 . 1 1 103 103 VAL HG21 H 1 0.489 0.01 . 2 . . . . . 103 VAL HG2 . 27595 1 1079 . 1 1 103 103 VAL HG22 H 1 0.489 0.01 . 2 . . . . . 103 VAL HG2 . 27595 1 1080 . 1 1 103 103 VAL HG23 H 1 0.489 0.01 . 2 . . . . . 103 VAL HG2 . 27595 1 1081 . 1 1 103 103 VAL C C 13 177.013 0.01 . 1 . . . . . 103 VAL C . 27595 1 1082 . 1 1 103 103 VAL CA C 13 64.496 0.03 . 1 . . . . . 103 VAL CA . 27595 1 1083 . 1 1 103 103 VAL CB C 13 32.868 0.11 . 1 . . . . . 103 VAL CB . 27595 1 1084 . 1 1 103 103 VAL CG1 C 13 20.513 0.00 . 2 . . . . . 103 VAL CG1 . 27595 1 1085 . 1 1 103 103 VAL CG2 C 13 20.513 0.00 . 2 . . . . . 103 VAL CG2 . 27595 1 1086 . 1 1 103 103 VAL N N 15 114.912 0.06 . 1 . . . . . 103 VAL N . 27595 1 1087 . 1 1 104 104 HIS H H 1 8.193 0.01 . 1 . . . . . 104 HIS H . 27595 1 1088 . 1 1 104 104 HIS HA H 1 4.576 0.00 . 1 . . . . . 104 HIS HA . 27595 1 1089 . 1 1 104 104 HIS HB2 H 1 3.078 0.01 . 2 . . . . . 104 HIS HB2 . 27595 1 1090 . 1 1 104 104 HIS HB3 H 1 3.078 0.01 . 2 . . . . . 104 HIS HB3 . 27595 1 1091 . 1 1 104 104 HIS C C 13 176.629 1.08 . 1 . . . . . 104 HIS C . 27595 1 1092 . 1 1 104 104 HIS CA C 13 58.003 1.45 . 1 . . . . . 104 HIS CA . 27595 1 1093 . 1 1 104 104 HIS CB C 13 30.135 0.24 . 1 . . . . . 104 HIS CB . 27595 1 1094 . 1 1 104 104 HIS N N 15 116.117 0.05 . 1 . . . . . 104 HIS N . 27595 1 1095 . 1 1 105 105 HIS H H 1 8.129 0.02 . 1 . . . . . 105 HIS H . 27595 1 1096 . 1 1 105 105 HIS HA H 1 4.569 0.02 . 1 . . . . . 105 HIS HA . 27595 1 1097 . 1 1 105 105 HIS HB2 H 1 3.164 0.04 . 2 . . . . . 105 HIS HB2 . 27595 1 1098 . 1 1 105 105 HIS HB3 H 1 3.129 0.03 . 2 . . . . . 105 HIS HB3 . 27595 1 1099 . 1 1 105 105 HIS C C 13 175.769 0.00 . 1 . . . . . 105 HIS C . 27595 1 1100 . 1 1 105 105 HIS CA C 13 58.081 0.34 . 1 . . . . . 105 HIS CA . 27595 1 1101 . 1 1 105 105 HIS CB C 13 30.940 0.31 . 1 . . . . . 105 HIS CB . 27595 1 1102 . 1 1 105 105 HIS N N 15 124.928 1.62 . 1 . . . . . 105 HIS N . 27595 1 1103 . 1 1 106 106 PHE H H 1 7.756 0.00 . 1 . . . . . 106 PHE H . 27595 1 1104 . 1 1 106 106 PHE HA H 1 4.543 0.01 . 1 . . . . . 106 PHE HA . 27595 1 1105 . 1 1 106 106 PHE HB2 H 1 3.251 0.03 . 2 . . . . . 106 PHE HB2 . 27595 1 1106 . 1 1 106 106 PHE HB3 H 1 3.156 0.05 . 2 . . . . . 106 PHE HB3 . 27595 1 1107 . 1 1 106 106 PHE HD1 H 1 7.058 0.00 . 3 . . . . . 106 PHE HD1 . 27595 1 1108 . 1 1 106 106 PHE HD2 H 1 7.058 0.00 . 3 . . . . . 106 PHE HD2 . 27595 1 1109 . 1 1 106 106 PHE C C 13 176.201 0.03 . 1 . . . . . 106 PHE C . 27595 1 1110 . 1 1 106 106 PHE CA C 13 58.598 0.04 . 1 . . . . . 106 PHE CA . 27595 1 1111 . 1 1 106 106 PHE CB C 13 39.602 0.06 . 1 . . . . . 106 PHE CB . 27595 1 1112 . 1 1 106 106 PHE N N 15 117.182 0.07 . 1 . . . . . 106 PHE N . 27595 1 1113 . 1 1 107 107 GLY H H 1 7.588 0.01 . 1 . . . . . 107 GLY H . 27595 1 1114 . 1 1 107 107 GLY HA2 H 1 3.929 0.01 . 2 . . . . . 107 GLY HA2 . 27595 1 1115 . 1 1 107 107 GLY HA3 H 1 3.629 0.01 . 2 . . . . . 107 GLY HA3 . 27595 1 1116 . 1 1 107 107 GLY C C 13 174.408 0.01 . 1 . . . . . 107 GLY C . 27595 1 1117 . 1 1 107 107 GLY CA C 13 46.006 0.09 . 1 . . . . . 107 GLY CA . 27595 1 1118 . 1 1 107 107 GLY N N 15 108.620 0.05 . 1 . . . . . 107 GLY N . 27595 1 1119 . 1 1 108 108 LEU H H 1 8.066 0.00 . 1 . . . . . 108 LEU H . 27595 1 1120 . 1 1 108 108 LEU HA H 1 4.302 0.01 . 1 . . . . . 108 LEU HA . 27595 1 1121 . 1 1 108 108 LEU HB2 H 1 1.510 0.03 . 2 . . . . . 108 LEU HB2 . 27595 1 1122 . 1 1 108 108 LEU HB3 H 1 1.510 0.03 . 2 . . . . . 108 LEU HB3 . 27595 1 1123 . 1 1 108 108 LEU HG H 1 1.543 0.00 . 1 . . . . . 108 LEU HG . 27595 1 1124 . 1 1 108 108 LEU HD11 H 1 0.847 0.00 . 2 . . . . . 108 LEU HD1 . 27595 1 1125 . 1 1 108 108 LEU HD12 H 1 0.847 0.00 . 2 . . . . . 108 LEU HD1 . 27595 1 1126 . 1 1 108 108 LEU HD13 H 1 0.847 0.00 . 2 . . . . . 108 LEU HD1 . 27595 1 1127 . 1 1 108 108 LEU HD21 H 1 0.847 0.00 . 2 . . . . . 108 LEU HD2 . 27595 1 1128 . 1 1 108 108 LEU HD22 H 1 0.847 0.00 . 2 . . . . . 108 LEU HD2 . 27595 1 1129 . 1 1 108 108 LEU HD23 H 1 0.847 0.00 . 2 . . . . . 108 LEU HD2 . 27595 1 1130 . 1 1 108 108 LEU C C 13 177.222 0.01 . 1 . . . . . 108 LEU C . 27595 1 1131 . 1 1 108 108 LEU CA C 13 55.315 0.06 . 1 . . . . . 108 LEU CA . 27595 1 1132 . 1 1 108 108 LEU CB C 13 42.291 0.05 . 1 . . . . . 108 LEU CB . 27595 1 1133 . 1 1 108 108 LEU CG C 13 27.608 0.00 . 1 . . . . . 108 LEU CG . 27595 1 1134 . 1 1 108 108 LEU CD1 C 13 25.093 0.00 . 2 . . . . . 108 LEU CD1 . 27595 1 1135 . 1 1 108 108 LEU CD2 C 13 23.076 0.00 . 2 . . . . . 108 LEU CD2 . 27595 1 1136 . 1 1 108 108 LEU N N 15 120.959 0.03 . 1 . . . . . 108 LEU N . 27595 1 1137 . 1 1 109 109 GLU H H 1 8.327 0.01 . 1 . . . . . 109 GLU H . 27595 1 1138 . 1 1 109 109 GLU HA H 1 4.154 0.00 . 1 . . . . . 109 GLU HA . 27595 1 1139 . 1 1 109 109 GLU HB2 H 1 2.131 0.00 . 2 . . . . . 109 GLU HB2 . 27595 1 1140 . 1 1 109 109 GLU HB3 H 1 2.101 0.03 . 2 . . . . . 109 GLU HB3 . 27595 1 1141 . 1 1 109 109 GLU HG2 H 1 2.131 0.00 . 2 . . . . . 109 GLU HG2 . 27595 1 1142 . 1 1 109 109 GLU C C 13 176.145 0.02 . 1 . . . . . 109 GLU C . 27595 1 1143 . 1 1 109 109 GLU CA C 13 56.698 0.05 . 1 . . . . . 109 GLU CA . 27595 1 1144 . 1 1 109 109 GLU CB C 13 30.236 0.19 . 1 . . . . . 109 GLU CB . 27595 1 1145 . 1 1 109 109 GLU CG C 13 36.213 0.00 . 1 . . . . . 109 GLU CG . 27595 1 1146 . 1 1 109 109 GLU N N 15 120.044 0.06 . 1 . . . . . 109 GLU N . 27595 1 1147 . 1 1 110 110 HIS H H 1 8.225 0.00 . 1 . . . . . 110 HIS H . 27595 1 1148 . 1 1 110 110 HIS C C 13 174.784 0.00 . 1 . . . . . 110 HIS C . 27595 1 1149 . 1 1 110 110 HIS CA C 13 56.248 0.00 . 1 . . . . . 110 HIS CA . 27595 1 1150 . 1 1 110 110 HIS CB C 13 30.456 0.00 . 1 . . . . . 110 HIS CB . 27595 1 1151 . 1 1 110 110 HIS N N 15 119.781 0.05 . 1 . . . . . 110 HIS N . 27595 1 stop_ save_