data_15549 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15549 _Entry.Title ; Solution Structure of Human C6orf115 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-08 _Entry.Accession_date 2007-11-08 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jinzhong Lin . . . 15549 2 Jinfeng Wang . . . 15549 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15549 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'winged-helix fold' . 15549 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15549 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 15549 '15N chemical shifts' 90 15549 '1H chemical shifts' 611 15549 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-03 2007-11-08 original author . 15549 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15549 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of Human C6orf115 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jinzhong Lin . . . 15549 1 2 Jinfeng Wang . . . 15549 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15549 _Assembly.ID 1 _Assembly.Name c6orf115 _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 10105.53 _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 c6orf115 1 $entity A . yes native no no . . . 15549 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15549 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name c6orf115 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNVDHEVNLLVEEIHRLGSK NADGKLSVKFGVLFRDDKSA NLFEALVGTLKAAKRRKIVT YPGELLLQGVHDDVDIILLQ DLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C39S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10105.53 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L2O . "Solution Structure Of Human Hspc280 Protein" . . . . . 100.00 89 100.00 100.00 2.17e-54 . . . . 15549 1 2 no GB AAF28958 . "HSPC280 [Homo sapiens]" . . . . . 91.01 141 98.77 98.77 6.71e-48 . . . . 15549 1 3 no GB AAF71102 . "PRO2013 [Homo sapiens]" . . . . . 91.01 81 98.77 98.77 6.91e-48 . . . . 15549 1 4 no GB AAH14953 . "C6orf115 protein [Homo sapiens]" . . . . . 91.01 81 98.77 98.77 6.91e-48 . . . . 15549 1 5 no GB AIC62228 . "ABRACL, partial [synthetic construct]" . . . . . 91.01 80 97.53 97.53 2.32e-45 . . . . 15549 1 6 no GB EAW47902 . "hCG1640751 [Homo sapiens]" . . . . . 91.01 81 98.77 98.77 6.91e-48 . . . . 15549 1 7 no REF NP_067066 . "costars family protein ABRACL [Homo sapiens]" . . . . . 91.01 81 98.77 98.77 6.91e-48 . . . . 15549 1 8 no REF XP_001159255 . "PREDICTED: costars family protein ABRACL [Pan troglodytes]" . . . . . 91.01 81 98.77 98.77 6.91e-48 . . . . 15549 1 9 no REF XP_002817467 . "PREDICTED: costars family protein ABRACL [Pongo abelii]" . . . . . 91.01 81 97.53 97.53 1.73e-46 . . . . 15549 1 10 no REF XP_003121220 . "PREDICTED: costars family protein ABRACL isoform X2 [Sus scrofa]" . . . . . 91.01 86 97.53 98.77 5.68e-48 . . . . 15549 1 11 no REF XP_003255842 . "PREDICTED: costars family protein ABRACL [Nomascus leucogenys]" . . . . . 91.01 81 98.77 98.77 6.91e-48 . . . . 15549 1 12 no SP Q9P1F3 . "RecName: Full=Costars family protein ABRACL; AltName: Full=ABRA C-terminal-like protein" . . . . . 91.01 81 98.77 98.77 6.91e-48 . . . . 15549 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 . 15549 1 2 . ASN . 15549 1 3 . VAL . 15549 1 4 . ASP . 15549 1 5 . HIS . 15549 1 6 . GLU . 15549 1 7 . VAL . 15549 1 8 . ASN . 15549 1 9 . LEU . 15549 1 10 . LEU . 15549 1 11 . VAL . 15549 1 12 . GLU . 15549 1 13 . GLU . 15549 1 14 . ILE . 15549 1 15 . HIS . 15549 1 16 . ARG . 15549 1 17 . LEU . 15549 1 18 . GLY . 15549 1 19 . SER . 15549 1 20 . LYS . 15549 1 21 . ASN . 15549 1 22 . ALA . 15549 1 23 . ASP . 15549 1 24 . GLY . 15549 1 25 . LYS . 15549 1 26 . LEU . 15549 1 27 . SER . 15549 1 28 . VAL . 15549 1 29 . LYS . 15549 1 30 . PHE . 15549 1 31 . GLY . 15549 1 32 . VAL . 15549 1 33 . LEU . 15549 1 34 . PHE . 15549 1 35 . ARG . 15549 1 36 . ASP . 15549 1 37 . ASP . 15549 1 38 . LYS . 15549 1 39 . SER . 15549 1 40 . ALA . 15549 1 41 . ASN . 15549 1 42 . LEU . 15549 1 43 . PHE . 15549 1 44 . GLU . 15549 1 45 . ALA . 15549 1 46 . LEU . 15549 1 47 . VAL . 15549 1 48 . GLY . 15549 1 49 . THR . 15549 1 50 . LEU . 15549 1 51 . LYS . 15549 1 52 . ALA . 15549 1 53 . ALA . 15549 1 54 . LYS . 15549 1 55 . ARG . 15549 1 56 . ARG . 15549 1 57 . LYS . 15549 1 58 . ILE . 15549 1 59 . VAL . 15549 1 60 . THR . 15549 1 61 . TYR . 15549 1 62 . PRO . 15549 1 63 . GLY . 15549 1 64 . GLU . 15549 1 65 . LEU . 15549 1 66 . LEU . 15549 1 67 . LEU . 15549 1 68 . GLN . 15549 1 69 . GLY . 15549 1 70 . VAL . 15549 1 71 . HIS . 15549 1 72 . ASP . 15549 1 73 . ASP . 15549 1 74 . VAL . 15549 1 75 . ASP . 15549 1 76 . ILE . 15549 1 77 . ILE . 15549 1 78 . LEU . 15549 1 79 . LEU . 15549 1 80 . GLN . 15549 1 81 . ASP . 15549 1 82 . LEU . 15549 1 83 . GLU . 15549 1 84 . HIS . 15549 1 85 . HIS . 15549 1 86 . HIS . 15549 1 87 . HIS . 15549 1 88 . HIS . 15549 1 89 . HIS . 15549 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 15549 1 . ASN 2 2 15549 1 . VAL 3 3 15549 1 . ASP 4 4 15549 1 . HIS 5 5 15549 1 . GLU 6 6 15549 1 . VAL 7 7 15549 1 . ASN 8 8 15549 1 . LEU 9 9 15549 1 . LEU 10 10 15549 1 . VAL 11 11 15549 1 . GLU 12 12 15549 1 . GLU 13 13 15549 1 . ILE 14 14 15549 1 . HIS 15 15 15549 1 . ARG 16 16 15549 1 . LEU 17 17 15549 1 . GLY 18 18 15549 1 . SER 19 19 15549 1 . LYS 20 20 15549 1 . ASN 21 21 15549 1 . ALA 22 22 15549 1 . ASP 23 23 15549 1 . GLY 24 24 15549 1 . LYS 25 25 15549 1 . LEU 26 26 15549 1 . SER 27 27 15549 1 . VAL 28 28 15549 1 . LYS 29 29 15549 1 . PHE 30 30 15549 1 . GLY 31 31 15549 1 . VAL 32 32 15549 1 . LEU 33 33 15549 1 . PHE 34 34 15549 1 . ARG 35 35 15549 1 . ASP 36 36 15549 1 . ASP 37 37 15549 1 . LYS 38 38 15549 1 . SER 39 39 15549 1 . ALA 40 40 15549 1 . ASN 41 41 15549 1 . LEU 42 42 15549 1 . PHE 43 43 15549 1 . GLU 44 44 15549 1 . ALA 45 45 15549 1 . LEU 46 46 15549 1 . VAL 47 47 15549 1 . GLY 48 48 15549 1 . THR 49 49 15549 1 . LEU 50 50 15549 1 . LYS 51 51 15549 1 . ALA 52 52 15549 1 . ALA 53 53 15549 1 . LYS 54 54 15549 1 . ARG 55 55 15549 1 . ARG 56 56 15549 1 . LYS 57 57 15549 1 . ILE 58 58 15549 1 . VAL 59 59 15549 1 . THR 60 60 15549 1 . TYR 61 61 15549 1 . PRO 62 62 15549 1 . GLY 63 63 15549 1 . GLU 64 64 15549 1 . LEU 65 65 15549 1 . LEU 66 66 15549 1 . LEU 67 67 15549 1 . GLN 68 68 15549 1 . GLY 69 69 15549 1 . VAL 70 70 15549 1 . HIS 71 71 15549 1 . ASP 72 72 15549 1 . ASP 73 73 15549 1 . VAL 74 74 15549 1 . ASP 75 75 15549 1 . ILE 76 76 15549 1 . ILE 77 77 15549 1 . LEU 78 78 15549 1 . LEU 79 79 15549 1 . GLN 80 80 15549 1 . ASP 81 81 15549 1 . LEU 82 82 15549 1 . GLU 83 83 15549 1 . HIS 84 84 15549 1 . HIS 85 85 15549 1 . HIS 86 86 15549 1 . HIS 87 87 15549 1 . HIS 88 88 15549 1 . HIS 89 89 15549 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 15549 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . C6orf115 . . . . 15549 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 15549 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PET22b . . . . . . 15549 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N-labeled _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N-labeled _Sample.Entry_ID 15549 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.5 . . mM . . . . 15549 1 2 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15549 1 3 'sodium acetate/acetic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 15549 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15549 1 stop_ save_ save_15N-labeled _Sample.Sf_category sample _Sample.Sf_framecode 15N-labeled _Sample.Entry_ID 15549 _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 entity '[U-100% 15N]' . . 1 $entity . . 1.5 . . mM . . . . 15549 2 2 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15549 2 3 'sodium acetate/acetic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 15549 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15549 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 15549 _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' 0.07 . M 15549 1 pH 4.4 . pH 15549 1 pressure 1 . atm 15549 1 temperature 310 . K 15549 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15549 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15549 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15549 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15549 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15549 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15549 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15549 _Software.ID 3 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15549 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15549 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15549 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15549 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15549 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 15549 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15549 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 cryo-probe . . 15549 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 15549 _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 . . . . . . . . . . 2 $15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $13C_15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C_15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 4 '3D HNCACB' no . . . . . . . . . . 1 $13C_15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C_15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C_15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $13C_15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 10 '3D HNCA' no . . . . . . . . . . 1 $13C_15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $13C_15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 12 '3D HNCO' no . . . . . . . . . . 1 $13C_15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 1 13 '3D CCH-TOCSY' no . . . . . . . . . . 1 $13C_15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15549 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 15549 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15549 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15549 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15549 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 15549 _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' . . . 15549 1 3 '3D CBCA(CO)NH' . . . 15549 1 4 '3D HNCACB' . . . 15549 1 5 '3D HCCH-TOCSY' . . . 15549 1 9 '3D HN(CO)CA' . . . 15549 1 10 '3D HNCA' . . . 15549 1 12 '3D HNCO' . . . 15549 1 13 '3D CCH-TOCSY' . . . 15549 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 1 $SPARKY . . 15549 1 3 $AutoAssign . . 15549 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.153 0.020 . 1 . . . . 1 MET HA . 15549 1 2 . 1 1 1 1 MET HB2 H 1 2.175 0.020 . 2 . . . . 1 MET HB2 . 15549 1 3 . 1 1 1 1 MET HB3 H 1 2.173 0.020 . 2 . . . . 1 MET HB3 . 15549 1 4 . 1 1 1 1 MET CA C 13 55.026 0.400 . 1 . . . . 1 MET CA . 15549 1 5 . 1 1 1 1 MET CB C 13 33.034 0.400 . 1 . . . . 1 MET CB . 15549 1 6 . 1 1 1 1 MET CG C 13 30.754 0.400 . 1 . . . . 1 MET CG . 15549 1 7 . 1 1 2 2 ASN H H 1 9.118 0.020 . 1 . . . . 2 ASN H . 15549 1 8 . 1 1 2 2 ASN HA H 1 4.910 0.020 . 1 . . . . 2 ASN HA . 15549 1 9 . 1 1 2 2 ASN HB2 H 1 2.858 0.020 . 2 . . . . 2 ASN HB2 . 15549 1 10 . 1 1 2 2 ASN HB3 H 1 3.004 0.020 . 2 . . . . 2 ASN HB3 . 15549 1 11 . 1 1 2 2 ASN HD21 H 1 7.701 0.020 . 2 . . . . 2 ASN HD21 . 15549 1 12 . 1 1 2 2 ASN HD22 H 1 7.067 0.020 . 2 . . . . 2 ASN HD22 . 15549 1 13 . 1 1 2 2 ASN C C 13 175.303 0.400 . 1 . . . . 2 ASN C . 15549 1 14 . 1 1 2 2 ASN CA C 13 52.768 0.400 . 1 . . . . 2 ASN CA . 15549 1 15 . 1 1 2 2 ASN CB C 13 38.734 0.400 . 1 . . . . 2 ASN CB . 15549 1 16 . 1 1 2 2 ASN N N 15 123.789 0.400 . 1 . . . . 2 ASN N . 15549 1 17 . 1 1 2 2 ASN ND2 N 15 112.577 0.400 . 1 . . . . 2 ASN ND2 . 15549 1 18 . 1 1 3 3 VAL H H 1 8.561 0.020 . 1 . . . . 3 VAL H . 15549 1 19 . 1 1 3 3 VAL HA H 1 3.862 0.020 . 1 . . . . 3 VAL HA . 15549 1 20 . 1 1 3 3 VAL HB H 1 2.103 0.020 . 1 . . . . 3 VAL HB . 15549 1 21 . 1 1 3 3 VAL HG11 H 1 1.035 0.020 . 2 . . . . 3 VAL HG1 . 15549 1 22 . 1 1 3 3 VAL HG12 H 1 1.035 0.020 . 2 . . . . 3 VAL HG1 . 15549 1 23 . 1 1 3 3 VAL HG13 H 1 1.035 0.020 . 2 . . . . 3 VAL HG1 . 15549 1 24 . 1 1 3 3 VAL HG21 H 1 0.953 0.020 . 2 . . . . 3 VAL HG2 . 15549 1 25 . 1 1 3 3 VAL HG22 H 1 0.953 0.020 . 2 . . . . 3 VAL HG2 . 15549 1 26 . 1 1 3 3 VAL HG23 H 1 0.953 0.020 . 2 . . . . 3 VAL HG2 . 15549 1 27 . 1 1 3 3 VAL C C 13 176.676 0.400 . 1 . . . . 3 VAL C . 15549 1 28 . 1 1 3 3 VAL CA C 13 65.533 0.400 . 1 . . . . 3 VAL CA . 15549 1 29 . 1 1 3 3 VAL CB C 13 31.996 0.400 . 1 . . . . 3 VAL CB . 15549 1 30 . 1 1 3 3 VAL CG1 C 13 21.832 0.400 . 1 . . . . 3 VAL CG1 . 15549 1 31 . 1 1 3 3 VAL CG2 C 13 20.846 0.400 . 1 . . . . 3 VAL CG2 . 15549 1 32 . 1 1 3 3 VAL N N 15 124.134 0.400 . 1 . . . . 3 VAL N . 15549 1 33 . 1 1 4 4 ASP H H 1 8.212 0.020 . 1 . . . . 4 ASP H . 15549 1 34 . 1 1 4 4 ASP HA H 1 4.382 0.020 . 1 . . . . 4 ASP HA . 15549 1 35 . 1 1 4 4 ASP HB2 H 1 2.741 0.020 . 2 . . . . 4 ASP HB2 . 15549 1 36 . 1 1 4 4 ASP HB3 H 1 2.745 0.020 . 2 . . . . 4 ASP HB3 . 15549 1 37 . 1 1 4 4 ASP C C 13 178.304 0.400 . 1 . . . . 4 ASP C . 15549 1 38 . 1 1 4 4 ASP CA C 13 57.359 0.400 . 1 . . . . 4 ASP CA . 15549 1 39 . 1 1 4 4 ASP CB C 13 40.311 0.400 . 1 . . . . 4 ASP CB . 15549 1 40 . 1 1 4 4 ASP N N 15 120.304 0.400 . 1 . . . . 4 ASP N . 15549 1 41 . 1 1 5 5 HIS H H 1 8.114 0.020 . 1 . . . . 5 HIS H . 15549 1 42 . 1 1 5 5 HIS HA H 1 4.423 0.020 . 1 . . . . 5 HIS HA . 15549 1 43 . 1 1 5 5 HIS HB2 H 1 3.389 0.020 . 2 . . . . 5 HIS HB2 . 15549 1 44 . 1 1 5 5 HIS HD2 H 1 7.394 0.020 . 1 . . . . 5 HIS HD2 . 15549 1 45 . 1 1 5 5 HIS C C 13 177.094 0.400 . 1 . . . . 5 HIS C . 15549 1 46 . 1 1 5 5 HIS CA C 13 58.690 0.400 . 1 . . . . 5 HIS CA . 15549 1 47 . 1 1 5 5 HIS CB C 13 28.515 0.400 . 1 . . . . 5 HIS CB . 15549 1 48 . 1 1 5 5 HIS N N 15 117.968 0.400 . 1 . . . . 5 HIS N . 15549 1 49 . 1 1 6 6 GLU H H 1 8.256 0.020 . 1 . . . . 6 GLU H . 15549 1 50 . 1 1 6 6 GLU HA H 1 4.084 0.020 . 1 . . . . 6 GLU HA . 15549 1 51 . 1 1 6 6 GLU HB2 H 1 2.500 0.020 . 2 . . . . 6 GLU HB2 . 15549 1 52 . 1 1 6 6 GLU HB3 H 1 2.274 0.020 . 2 . . . . 6 GLU HB3 . 15549 1 53 . 1 1 6 6 GLU HG2 H 1 2.570 0.020 . 2 . . . . 6 GLU HG2 . 15549 1 54 . 1 1 6 6 GLU HG3 H 1 2.564 0.020 . 2 . . . . 6 GLU HG3 . 15549 1 55 . 1 1 6 6 GLU C C 13 178.684 0.400 . 1 . . . . 6 GLU C . 15549 1 56 . 1 1 6 6 GLU CA C 13 59.474 0.400 . 1 . . . . 6 GLU CA . 15549 1 57 . 1 1 6 6 GLU CB C 13 29.138 0.400 . 1 . . . . 6 GLU CB . 15549 1 58 . 1 1 6 6 GLU CG C 13 36.643 0.400 . 1 . . . . 6 GLU CG . 15549 1 59 . 1 1 6 6 GLU N N 15 118.599 0.400 . 1 . . . . 6 GLU N . 15549 1 60 . 1 1 7 7 VAL H H 1 8.684 0.020 . 1 . . . . 7 VAL H . 15549 1 61 . 1 1 7 7 VAL HA H 1 3.542 0.020 . 1 . . . . 7 VAL HA . 15549 1 62 . 1 1 7 7 VAL HB H 1 2.219 0.020 . 1 . . . . 7 VAL HB . 15549 1 63 . 1 1 7 7 VAL HG11 H 1 1.085 0.020 . 2 . . . . 7 VAL HG1 . 15549 1 64 . 1 1 7 7 VAL HG12 H 1 1.085 0.020 . 2 . . . . 7 VAL HG1 . 15549 1 65 . 1 1 7 7 VAL HG13 H 1 1.085 0.020 . 2 . . . . 7 VAL HG1 . 15549 1 66 . 1 1 7 7 VAL HG21 H 1 0.976 0.020 . 2 . . . . 7 VAL HG2 . 15549 1 67 . 1 1 7 7 VAL HG22 H 1 0.976 0.020 . 2 . . . . 7 VAL HG2 . 15549 1 68 . 1 1 7 7 VAL HG23 H 1 0.976 0.020 . 2 . . . . 7 VAL HG2 . 15549 1 69 . 1 1 7 7 VAL C C 13 177.233 0.400 . 1 . . . . 7 VAL C . 15549 1 70 . 1 1 7 7 VAL CA C 13 66.923 0.400 . 1 . . . . 7 VAL CA . 15549 1 71 . 1 1 7 7 VAL CB C 13 31.355 0.400 . 1 . . . . 7 VAL CB . 15549 1 72 . 1 1 7 7 VAL CG1 C 13 23.556 0.400 . 1 . . . . 7 VAL CG1 . 15549 1 73 . 1 1 7 7 VAL CG2 C 13 22.149 0.400 . 1 . . . . 7 VAL CG2 . 15549 1 74 . 1 1 7 7 VAL N N 15 119.882 0.400 . 1 . . . . 7 VAL N . 15549 1 75 . 1 1 8 8 ASN H H 1 7.904 0.020 . 1 . . . . 8 ASN H . 15549 1 76 . 1 1 8 8 ASN HA H 1 4.403 0.020 . 1 . . . . 8 ASN HA . 15549 1 77 . 1 1 8 8 ASN HB2 H 1 2.789 0.020 . 2 . . . . 8 ASN HB2 . 15549 1 78 . 1 1 8 8 ASN HB3 H 1 2.891 0.020 . 2 . . . . 8 ASN HB3 . 15549 1 79 . 1 1 8 8 ASN HD21 H 1 7.490 0.020 . 2 . . . . 8 ASN HD21 . 15549 1 80 . 1 1 8 8 ASN HD22 H 1 6.846 0.020 . 2 . . . . 8 ASN HD22 . 15549 1 81 . 1 1 8 8 ASN C C 13 178.031 0.400 . 1 . . . . 8 ASN C . 15549 1 82 . 1 1 8 8 ASN CA C 13 56.799 0.400 . 1 . . . . 8 ASN CA . 15549 1 83 . 1 1 8 8 ASN CB C 13 37.920 0.400 . 1 . . . . 8 ASN CB . 15549 1 84 . 1 1 8 8 ASN N N 15 118.563 0.400 . 1 . . . . 8 ASN N . 15549 1 85 . 1 1 8 8 ASN ND2 N 15 111.278 0.400 . 1 . . . . 8 ASN ND2 . 15549 1 86 . 1 1 9 9 LEU H H 1 7.812 0.020 . 1 . . . . 9 LEU H . 15549 1 87 . 1 1 9 9 LEU HA H 1 4.113 0.020 . 1 . . . . 9 LEU HA . 15549 1 88 . 1 1 9 9 LEU HB2 H 1 1.634 0.020 . 2 . . . . 9 LEU HB2 . 15549 1 89 . 1 1 9 9 LEU HB3 H 1 1.574 0.020 . 2 . . . . 9 LEU HB3 . 15549 1 90 . 1 1 9 9 LEU HD11 H 1 0.757 0.020 . 2 . . . . 9 LEU HD1 . 15549 1 91 . 1 1 9 9 LEU HD12 H 1 0.757 0.020 . 2 . . . . 9 LEU HD1 . 15549 1 92 . 1 1 9 9 LEU HD13 H 1 0.757 0.020 . 2 . . . . 9 LEU HD1 . 15549 1 93 . 1 1 9 9 LEU HD21 H 1 0.545 0.020 . 2 . . . . 9 LEU HD2 . 15549 1 94 . 1 1 9 9 LEU HD22 H 1 0.545 0.020 . 2 . . . . 9 LEU HD2 . 15549 1 95 . 1 1 9 9 LEU HD23 H 1 0.545 0.020 . 2 . . . . 9 LEU HD2 . 15549 1 96 . 1 1 9 9 LEU HG H 1 1.345 0.020 . 1 . . . . 9 LEU HG . 15549 1 97 . 1 1 9 9 LEU C C 13 178.708 0.400 . 1 . . . . 9 LEU C . 15549 1 98 . 1 1 9 9 LEU CA C 13 57.682 0.400 . 1 . . . . 9 LEU CA . 15549 1 99 . 1 1 9 9 LEU CB C 13 41.586 0.400 . 1 . . . . 9 LEU CB . 15549 1 100 . 1 1 9 9 LEU CD1 C 13 24.076 0.400 . 1 . . . . 9 LEU CD1 . 15549 1 101 . 1 1 9 9 LEU CD2 C 13 24.354 0.400 . 1 . . . . 9 LEU CD2 . 15549 1 102 . 1 1 9 9 LEU CG C 13 26.682 0.400 . 1 . . . . 9 LEU CG . 15549 1 103 . 1 1 9 9 LEU N N 15 121.444 0.400 . 1 . . . . 9 LEU N . 15549 1 104 . 1 1 10 10 LEU H H 1 8.257 0.020 . 1 . . . . 10 LEU H . 15549 1 105 . 1 1 10 10 LEU HA H 1 4.175 0.020 . 1 . . . . 10 LEU HA . 15549 1 106 . 1 1 10 10 LEU HB2 H 1 2.373 0.020 . 2 . . . . 10 LEU HB2 . 15549 1 107 . 1 1 10 10 LEU HB3 H 1 1.548 0.020 . 2 . . . . 10 LEU HB3 . 15549 1 108 . 1 1 10 10 LEU HD11 H 1 0.780 0.020 . 2 . . . . 10 LEU HD1 . 15549 1 109 . 1 1 10 10 LEU HD12 H 1 0.780 0.020 . 2 . . . . 10 LEU HD1 . 15549 1 110 . 1 1 10 10 LEU HD13 H 1 0.780 0.020 . 2 . . . . 10 LEU HD1 . 15549 1 111 . 1 1 10 10 LEU HD21 H 1 0.780 0.020 . 2 . . . . 10 LEU HD2 . 15549 1 112 . 1 1 10 10 LEU HD22 H 1 0.780 0.020 . 2 . . . . 10 LEU HD2 . 15549 1 113 . 1 1 10 10 LEU HD23 H 1 0.780 0.020 . 2 . . . . 10 LEU HD2 . 15549 1 114 . 1 1 10 10 LEU HG H 1 1.495 0.020 . 1 . . . . 10 LEU HG . 15549 1 115 . 1 1 10 10 LEU C C 13 177.974 0.400 . 1 . . . . 10 LEU C . 15549 1 116 . 1 1 10 10 LEU CA C 13 58.592 0.400 . 1 . . . . 10 LEU CA . 15549 1 117 . 1 1 10 10 LEU CB C 13 41.411 0.400 . 1 . . . . 10 LEU CB . 15549 1 118 . 1 1 10 10 LEU CD1 C 13 23.602 0.400 . 1 . . . . 10 LEU CD1 . 15549 1 119 . 1 1 10 10 LEU CD2 C 13 26.936 0.400 . 1 . . . . 10 LEU CD2 . 15549 1 120 . 1 1 10 10 LEU CG C 13 27.142 0.400 . 1 . . . . 10 LEU CG . 15549 1 121 . 1 1 10 10 LEU N N 15 121.381 0.400 . 1 . . . . 10 LEU N . 15549 1 122 . 1 1 11 11 VAL H H 1 8.221 0.020 . 1 . . . . 11 VAL H . 15549 1 123 . 1 1 11 11 VAL HA H 1 3.412 0.020 . 1 . . . . 11 VAL HA . 15549 1 124 . 1 1 11 11 VAL HB H 1 2.341 0.020 . 1 . . . . 11 VAL HB . 15549 1 125 . 1 1 11 11 VAL HG11 H 1 1.087 0.020 . 2 . . . . 11 VAL HG1 . 15549 1 126 . 1 1 11 11 VAL HG12 H 1 1.087 0.020 . 2 . . . . 11 VAL HG1 . 15549 1 127 . 1 1 11 11 VAL HG13 H 1 1.087 0.020 . 2 . . . . 11 VAL HG1 . 15549 1 128 . 1 1 11 11 VAL HG21 H 1 1.097 0.020 . 2 . . . . 11 VAL HG2 . 15549 1 129 . 1 1 11 11 VAL HG22 H 1 1.097 0.020 . 2 . . . . 11 VAL HG2 . 15549 1 130 . 1 1 11 11 VAL HG23 H 1 1.097 0.020 . 2 . . . . 11 VAL HG2 . 15549 1 131 . 1 1 11 11 VAL C C 13 178.503 0.400 . 1 . . . . 11 VAL C . 15549 1 132 . 1 1 11 11 VAL CA C 13 67.797 0.400 . 1 . . . . 11 VAL CA . 15549 1 133 . 1 1 11 11 VAL CB C 13 31.705 0.400 . 1 . . . . 11 VAL CB . 15549 1 134 . 1 1 11 11 VAL CG1 C 13 23.052 0.400 . 1 . . . . 11 VAL CG1 . 15549 1 135 . 1 1 11 11 VAL CG2 C 13 22.259 0.400 . 1 . . . . 11 VAL CG2 . 15549 1 136 . 1 1 11 11 VAL N N 15 118.850 0.400 . 1 . . . . 11 VAL N . 15549 1 137 . 1 1 12 12 GLU H H 1 8.028 0.020 . 1 . . . . 12 GLU H . 15549 1 138 . 1 1 12 12 GLU HA H 1 4.124 0.020 . 1 . . . . 12 GLU HA . 15549 1 139 . 1 1 12 12 GLU HB2 H 1 2.277 0.020 . 2 . . . . 12 GLU HB2 . 15549 1 140 . 1 1 12 12 GLU HB3 H 1 2.274 0.020 . 2 . . . . 12 GLU HB3 . 15549 1 141 . 1 1 12 12 GLU HG2 H 1 2.363 0.020 . 2 . . . . 12 GLU HG2 . 15549 1 142 . 1 1 12 12 GLU HG3 H 1 2.519 0.020 . 2 . . . . 12 GLU HG3 . 15549 1 143 . 1 1 12 12 GLU C C 13 179.689 0.400 . 1 . . . . 12 GLU C . 15549 1 144 . 1 1 12 12 GLU CA C 13 59.774 0.400 . 1 . . . . 12 GLU CA . 15549 1 145 . 1 1 12 12 GLU CB C 13 28.689 0.400 . 1 . . . . 12 GLU CB . 15549 1 146 . 1 1 12 12 GLU CG C 13 35.233 0.400 . 1 . . . . 12 GLU CG . 15549 1 147 . 1 1 12 12 GLU N N 15 120.086 0.400 . 1 . . . . 12 GLU N . 15549 1 148 . 1 1 13 13 GLU H H 1 8.661 0.020 . 1 . . . . 13 GLU H . 15549 1 149 . 1 1 13 13 GLU HA H 1 4.219 0.020 . 1 . . . . 13 GLU HA . 15549 1 150 . 1 1 13 13 GLU HB2 H 1 2.370 0.020 . 2 . . . . 13 GLU HB2 . 15549 1 151 . 1 1 13 13 GLU HB3 H 1 2.112 0.020 . 2 . . . . 13 GLU HB3 . 15549 1 152 . 1 1 13 13 GLU HG2 H 1 2.490 0.020 . 2 . . . . 13 GLU HG2 . 15549 1 153 . 1 1 13 13 GLU HG3 H 1 2.357 0.020 . 2 . . . . 13 GLU HG3 . 15549 1 154 . 1 1 13 13 GLU C C 13 178.611 0.400 . 1 . . . . 13 GLU C . 15549 1 155 . 1 1 13 13 GLU CA C 13 58.674 0.400 . 1 . . . . 13 GLU CA . 15549 1 156 . 1 1 13 13 GLU CB C 13 29.232 0.400 . 1 . . . . 13 GLU CB . 15549 1 157 . 1 1 13 13 GLU CG C 13 35.263 0.400 . 1 . . . . 13 GLU CG . 15549 1 158 . 1 1 13 13 GLU N N 15 120.601 0.400 . 1 . . . . 13 GLU N . 15549 1 159 . 1 1 14 14 ILE H H 1 8.617 0.020 . 1 . . . . 14 ILE H . 15549 1 160 . 1 1 14 14 ILE HA H 1 3.439 0.020 . 1 . . . . 14 ILE HA . 15549 1 161 . 1 1 14 14 ILE HB H 1 1.873 0.020 . 1 . . . . 14 ILE HB . 15549 1 162 . 1 1 14 14 ILE HD11 H 1 0.697 0.020 . 1 . . . . 14 ILE HD1 . 15549 1 163 . 1 1 14 14 ILE HD12 H 1 0.697 0.020 . 1 . . . . 14 ILE HD1 . 15549 1 164 . 1 1 14 14 ILE HD13 H 1 0.697 0.020 . 1 . . . . 14 ILE HD1 . 15549 1 165 . 1 1 14 14 ILE HG12 H 1 0.796 0.020 . 2 . . . . 14 ILE HG12 . 15549 1 166 . 1 1 14 14 ILE HG13 H 1 2.080 0.020 . 2 . . . . 14 ILE HG13 . 15549 1 167 . 1 1 14 14 ILE HG21 H 1 0.735 0.020 . 1 . . . . 14 ILE HG2 . 15549 1 168 . 1 1 14 14 ILE HG22 H 1 0.735 0.020 . 1 . . . . 14 ILE HG2 . 15549 1 169 . 1 1 14 14 ILE HG23 H 1 0.735 0.020 . 1 . . . . 14 ILE HG2 . 15549 1 170 . 1 1 14 14 ILE C C 13 178.272 0.400 . 1 . . . . 14 ILE C . 15549 1 171 . 1 1 14 14 ILE CA C 13 66.837 0.400 . 1 . . . . 14 ILE CA . 15549 1 172 . 1 1 14 14 ILE CB C 13 37.123 0.400 . 1 . . . . 14 ILE CB . 15549 1 173 . 1 1 14 14 ILE CD1 C 13 14.438 0.400 . 1 . . . . 14 ILE CD1 . 15549 1 174 . 1 1 14 14 ILE CG1 C 13 29.107 0.400 . 1 . . . . 14 ILE CG1 . 15549 1 175 . 1 1 14 14 ILE CG2 C 13 17.777 0.400 . 1 . . . . 14 ILE CG2 . 15549 1 176 . 1 1 14 14 ILE N N 15 120.425 0.400 . 1 . . . . 14 ILE N . 15549 1 177 . 1 1 15 15 HIS H H 1 8.161 0.020 . 1 . . . . 15 HIS H . 15549 1 178 . 1 1 15 15 HIS HA H 1 4.114 0.020 . 1 . . . . 15 HIS HA . 15549 1 179 . 1 1 15 15 HIS HB2 H 1 3.405 0.020 . 2 . . . . 15 HIS HB2 . 15549 1 180 . 1 1 15 15 HIS HB3 H 1 3.238 0.020 . 2 . . . . 15 HIS HB3 . 15549 1 181 . 1 1 15 15 HIS HD2 H 1 7.216 0.020 . 1 . . . . 15 HIS HD2 . 15549 1 182 . 1 1 15 15 HIS C C 13 176.379 0.400 . 1 . . . . 15 HIS C . 15549 1 183 . 1 1 15 15 HIS CA C 13 59.746 0.400 . 1 . . . . 15 HIS CA . 15549 1 184 . 1 1 15 15 HIS CB C 13 28.131 0.400 . 1 . . . . 15 HIS CB . 15549 1 185 . 1 1 15 15 HIS N N 15 116.440 0.400 . 1 . . . . 15 HIS N . 15549 1 186 . 1 1 16 16 ARG H H 1 8.056 0.020 . 1 . . . . 16 ARG H . 15549 1 187 . 1 1 16 16 ARG HA H 1 4.187 0.020 . 1 . . . . 16 ARG HA . 15549 1 188 . 1 1 16 16 ARG HB2 H 1 1.945 0.020 . 2 . . . . 16 ARG HB2 . 15549 1 189 . 1 1 16 16 ARG HB3 H 1 1.942 0.020 . 2 . . . . 16 ARG HB3 . 15549 1 190 . 1 1 16 16 ARG HD2 H 1 3.357 0.020 . 2 . . . . 16 ARG HD2 . 15549 1 191 . 1 1 16 16 ARG HD3 H 1 3.169 0.020 . 2 . . . . 16 ARG HD3 . 15549 1 192 . 1 1 16 16 ARG HE H 1 7.793 0.020 . 1 . . . . 16 ARG HE . 15549 1 193 . 1 1 16 16 ARG HG2 H 1 1.556 0.020 . 2 . . . . 16 ARG HG2 . 15549 1 194 . 1 1 16 16 ARG HG3 H 1 1.723 0.020 . 2 . . . . 16 ARG HG3 . 15549 1 195 . 1 1 16 16 ARG C C 13 178.053 0.400 . 1 . . . . 16 ARG C . 15549 1 196 . 1 1 16 16 ARG CA C 13 59.343 0.400 . 1 . . . . 16 ARG CA . 15549 1 197 . 1 1 16 16 ARG CB C 13 31.698 0.400 . 1 . . . . 16 ARG CB . 15549 1 198 . 1 1 16 16 ARG CD C 13 43.298 0.400 . 1 . . . . 16 ARG CD . 15549 1 199 . 1 1 16 16 ARG CG C 13 28.115 0.400 . 1 . . . . 16 ARG CG . 15549 1 200 . 1 1 16 16 ARG N N 15 118.592 0.400 . 1 . . . . 16 ARG N . 15549 1 201 . 1 1 16 16 ARG NE N 15 83.086 0.400 . 1 . . . . 16 ARG NE . 15549 1 202 . 1 1 17 17 LEU H H 1 8.239 0.020 . 1 . . . . 17 LEU H . 15549 1 203 . 1 1 17 17 LEU HA H 1 4.482 0.020 . 1 . . . . 17 LEU HA . 15549 1 204 . 1 1 17 17 LEU HB2 H 1 1.625 0.020 . 2 . . . . 17 LEU HB2 . 15549 1 205 . 1 1 17 17 LEU HB3 H 1 1.497 0.020 . 2 . . . . 17 LEU HB3 . 15549 1 206 . 1 1 17 17 LEU HD11 H 1 0.825 0.020 . 2 . . . . 17 LEU HD1 . 15549 1 207 . 1 1 17 17 LEU HD12 H 1 0.825 0.020 . 2 . . . . 17 LEU HD1 . 15549 1 208 . 1 1 17 17 LEU HD13 H 1 0.825 0.020 . 2 . . . . 17 LEU HD1 . 15549 1 209 . 1 1 17 17 LEU HD21 H 1 0.805 0.020 . 2 . . . . 17 LEU HD2 . 15549 1 210 . 1 1 17 17 LEU HD22 H 1 0.805 0.020 . 2 . . . . 17 LEU HD2 . 15549 1 211 . 1 1 17 17 LEU HD23 H 1 0.805 0.020 . 2 . . . . 17 LEU HD2 . 15549 1 212 . 1 1 17 17 LEU HG H 1 1.643 0.020 . 1 . . . . 17 LEU HG . 15549 1 213 . 1 1 17 17 LEU C C 13 178.399 0.400 . 1 . . . . 17 LEU C . 15549 1 214 . 1 1 17 17 LEU CA C 13 55.015 0.400 . 1 . . . . 17 LEU CA . 15549 1 215 . 1 1 17 17 LEU CB C 13 45.056 0.400 . 1 . . . . 17 LEU CB . 15549 1 216 . 1 1 17 17 LEU CD1 C 13 22.048 0.400 . 1 . . . . 17 LEU CD1 . 15549 1 217 . 1 1 17 17 LEU CD2 C 13 25.738 0.400 . 1 . . . . 17 LEU CD2 . 15549 1 218 . 1 1 17 17 LEU CG C 13 26.929 0.400 . 1 . . . . 17 LEU CG . 15549 1 219 . 1 1 17 17 LEU N N 15 115.352 0.400 . 1 . . . . 17 LEU N . 15549 1 220 . 1 1 18 18 GLY H H 1 8.265 0.020 . 1 . . . . 18 GLY H . 15549 1 221 . 1 1 18 18 GLY HA2 H 1 4.384 0.020 . 2 . . . . 18 GLY HA2 . 15549 1 222 . 1 1 18 18 GLY HA3 H 1 3.668 0.020 . 2 . . . . 18 GLY HA3 . 15549 1 223 . 1 1 18 18 GLY C C 13 172.640 0.400 . 1 . . . . 18 GLY C . 15549 1 224 . 1 1 18 18 GLY CA C 13 45.357 0.400 . 1 . . . . 18 GLY CA . 15549 1 225 . 1 1 18 18 GLY N N 15 107.834 0.400 . 1 . . . . 18 GLY N . 15549 1 226 . 1 1 19 19 SER H H 1 8.747 0.020 . 1 . . . . 19 SER H . 15549 1 227 . 1 1 19 19 SER HA H 1 4.758 0.020 . 1 . . . . 19 SER HA . 15549 1 228 . 1 1 19 19 SER HB2 H 1 3.892 0.020 . 2 . . . . 19 SER HB2 . 15549 1 229 . 1 1 19 19 SER HB3 H 1 3.844 0.020 . 2 . . . . 19 SER HB3 . 15549 1 230 . 1 1 19 19 SER C C 13 173.842 0.400 . 1 . . . . 19 SER C . 15549 1 231 . 1 1 19 19 SER CA C 13 57.001 0.400 . 1 . . . . 19 SER CA . 15549 1 232 . 1 1 19 19 SER CB C 13 65.716 0.400 . 1 . . . . 19 SER CB . 15549 1 233 . 1 1 19 19 SER N N 15 112.640 0.400 . 1 . . . . 19 SER N . 15549 1 234 . 1 1 20 20 LYS H H 1 8.757 0.020 . 1 . . . . 20 LYS H . 15549 1 235 . 1 1 20 20 LYS HA H 1 4.399 0.020 . 1 . . . . 20 LYS HA . 15549 1 236 . 1 1 20 20 LYS HB2 H 1 1.726 0.020 . 2 . . . . 20 LYS HB2 . 15549 1 237 . 1 1 20 20 LYS HB3 H 1 1.674 0.020 . 2 . . . . 20 LYS HB3 . 15549 1 238 . 1 1 20 20 LYS HD2 H 1 1.655 0.020 . 2 . . . . 20 LYS HD2 . 15549 1 239 . 1 1 20 20 LYS HD3 H 1 1.651 0.020 . 2 . . . . 20 LYS HD3 . 15549 1 240 . 1 1 20 20 LYS HE2 H 1 2.981 0.020 . 2 . . . . 20 LYS HE2 . 15549 1 241 . 1 1 20 20 LYS HE3 H 1 2.977 0.020 . 2 . . . . 20 LYS HE3 . 15549 1 242 . 1 1 20 20 LYS HG2 H 1 1.384 0.020 . 2 . . . . 20 LYS HG2 . 15549 1 243 . 1 1 20 20 LYS HG3 H 1 1.326 0.020 . 2 . . . . 20 LYS HG3 . 15549 1 244 . 1 1 20 20 LYS C C 13 176.801 0.400 . 1 . . . . 20 LYS C . 15549 1 245 . 1 1 20 20 LYS CA C 13 57.078 0.400 . 1 . . . . 20 LYS CA . 15549 1 246 . 1 1 20 20 LYS CB C 13 33.205 0.400 . 1 . . . . 20 LYS CB . 15549 1 247 . 1 1 20 20 LYS CD C 13 29.441 0.400 . 1 . . . . 20 LYS CD . 15549 1 248 . 1 1 20 20 LYS CE C 13 41.901 0.400 . 1 . . . . 20 LYS CE . 15549 1 249 . 1 1 20 20 LYS CG C 13 25.471 0.400 . 1 . . . . 20 LYS CG . 15549 1 250 . 1 1 20 20 LYS N N 15 124.054 0.400 . 1 . . . . 20 LYS N . 15549 1 251 . 1 1 21 21 ASN H H 1 8.962 0.020 . 1 . . . . 21 ASN H . 15549 1 252 . 1 1 21 21 ASN HA H 1 4.782 0.020 . 1 . . . . 21 ASN HA . 15549 1 253 . 1 1 21 21 ASN HB2 H 1 3.007 0.020 . 2 . . . . 21 ASN HB2 . 15549 1 254 . 1 1 21 21 ASN HB3 H 1 3.512 0.020 . 2 . . . . 21 ASN HB3 . 15549 1 255 . 1 1 21 21 ASN HD21 H 1 7.702 0.020 . 2 . . . . 21 ASN HD21 . 15549 1 256 . 1 1 21 21 ASN HD22 H 1 6.994 0.020 . 2 . . . . 21 ASN HD22 . 15549 1 257 . 1 1 21 21 ASN C C 13 177.449 0.400 . 1 . . . . 21 ASN C . 15549 1 258 . 1 1 21 21 ASN CA C 13 50.890 0.400 . 1 . . . . 21 ASN CA . 15549 1 259 . 1 1 21 21 ASN CB C 13 38.945 0.400 . 1 . . . . 21 ASN CB . 15549 1 260 . 1 1 21 21 ASN N N 15 124.820 0.400 . 1 . . . . 21 ASN N . 15549 1 261 . 1 1 21 21 ASN ND2 N 15 109.957 0.400 . 1 . . . . 21 ASN ND2 . 15549 1 262 . 1 1 22 22 ALA H H 1 8.485 0.020 . 1 . . . . 22 ALA H . 15549 1 263 . 1 1 22 22 ALA HA H 1 4.137 0.020 . 1 . . . . 22 ALA HA . 15549 1 264 . 1 1 22 22 ALA HB1 H 1 1.448 0.020 . 1 . . . . 22 ALA HB . 15549 1 265 . 1 1 22 22 ALA HB2 H 1 1.448 0.020 . 1 . . . . 22 ALA HB . 15549 1 266 . 1 1 22 22 ALA HB3 H 1 1.448 0.020 . 1 . . . . 22 ALA HB . 15549 1 267 . 1 1 22 22 ALA C C 13 178.310 0.400 . 1 . . . . 22 ALA C . 15549 1 268 . 1 1 22 22 ALA CA C 13 54.935 0.400 . 1 . . . . 22 ALA CA . 15549 1 269 . 1 1 22 22 ALA CB C 13 18.357 0.400 . 1 . . . . 22 ALA CB . 15549 1 270 . 1 1 22 22 ALA N N 15 121.612 0.400 . 1 . . . . 22 ALA N . 15549 1 271 . 1 1 23 23 ASP H H 1 7.602 0.020 . 1 . . . . 23 ASP H . 15549 1 272 . 1 1 23 23 ASP HA H 1 4.746 0.020 . 1 . . . . 23 ASP HA . 15549 1 273 . 1 1 23 23 ASP HB2 H 1 2.657 0.020 . 2 . . . . 23 ASP HB2 . 15549 1 274 . 1 1 23 23 ASP HB3 H 1 2.838 0.020 . 2 . . . . 23 ASP HB3 . 15549 1 275 . 1 1 23 23 ASP C C 13 176.340 0.400 . 1 . . . . 23 ASP C . 15549 1 276 . 1 1 23 23 ASP CA C 13 53.723 0.400 . 1 . . . . 23 ASP CA . 15549 1 277 . 1 1 23 23 ASP CB C 13 41.353 0.400 . 1 . . . . 23 ASP CB . 15549 1 278 . 1 1 23 23 ASP N N 15 115.045 0.400 . 1 . . . . 23 ASP N . 15549 1 279 . 1 1 24 24 GLY H H 1 8.239 0.020 . 1 . . . . 24 GLY H . 15549 1 280 . 1 1 24 24 GLY HA2 H 1 4.246 0.020 . 2 . . . . 24 GLY HA2 . 15549 1 281 . 1 1 24 24 GLY HA3 H 1 3.604 0.020 . 2 . . . . 24 GLY HA3 . 15549 1 282 . 1 1 24 24 GLY C C 13 173.901 0.400 . 1 . . . . 24 GLY C . 15549 1 283 . 1 1 24 24 GLY CA C 13 45.579 0.400 . 1 . . . . 24 GLY CA . 15549 1 284 . 1 1 24 24 GLY N N 15 107.730 0.400 . 1 . . . . 24 GLY N . 15549 1 285 . 1 1 25 25 LYS H H 1 7.729 0.020 . 1 . . . . 25 LYS H . 15549 1 286 . 1 1 25 25 LYS HA H 1 4.586 0.020 . 1 . . . . 25 LYS HA . 15549 1 287 . 1 1 25 25 LYS HB2 H 1 1.895 0.020 . 2 . . . . 25 LYS HB2 . 15549 1 288 . 1 1 25 25 LYS HB3 H 1 1.614 0.020 . 2 . . . . 25 LYS HB3 . 15549 1 289 . 1 1 25 25 LYS HD2 H 1 1.657 0.020 . 2 . . . . 25 LYS HD2 . 15549 1 290 . 1 1 25 25 LYS HD3 H 1 1.652 0.020 . 2 . . . . 25 LYS HD3 . 15549 1 291 . 1 1 25 25 LYS HE2 H 1 3.008 0.020 . 2 . . . . 25 LYS HE2 . 15549 1 292 . 1 1 25 25 LYS HE3 H 1 2.967 0.020 . 2 . . . . 25 LYS HE3 . 15549 1 293 . 1 1 25 25 LYS HG2 H 1 1.345 0.020 . 2 . . . . 25 LYS HG2 . 15549 1 294 . 1 1 25 25 LYS HG3 H 1 1.331 0.020 . 2 . . . . 25 LYS HG3 . 15549 1 295 . 1 1 25 25 LYS C C 13 176.011 0.400 . 1 . . . . 25 LYS C . 15549 1 296 . 1 1 25 25 LYS CA C 13 54.327 0.400 . 1 . . . . 25 LYS CA . 15549 1 297 . 1 1 25 25 LYS CB C 13 33.678 0.400 . 1 . . . . 25 LYS CB . 15549 1 298 . 1 1 25 25 LYS CD C 13 28.618 0.400 . 1 . . . . 25 LYS CD . 15549 1 299 . 1 1 25 25 LYS CE C 13 42.532 0.400 . 1 . . . . 25 LYS CE . 15549 1 300 . 1 1 25 25 LYS CG C 13 25.241 0.400 . 1 . . . . 25 LYS CG . 15549 1 301 . 1 1 25 25 LYS N N 15 119.857 0.400 . 1 . . . . 25 LYS N . 15549 1 302 . 1 1 26 26 LEU H H 1 8.902 0.020 . 1 . . . . 26 LEU H . 15549 1 303 . 1 1 26 26 LEU HA H 1 4.269 0.020 . 1 . . . . 26 LEU HA . 15549 1 304 . 1 1 26 26 LEU HB2 H 1 1.624 0.020 . 2 . . . . 26 LEU HB2 . 15549 1 305 . 1 1 26 26 LEU HB3 H 1 1.112 0.020 . 2 . . . . 26 LEU HB3 . 15549 1 306 . 1 1 26 26 LEU HD11 H 1 0.617 0.020 . 2 . . . . 26 LEU HD1 . 15549 1 307 . 1 1 26 26 LEU HD12 H 1 0.617 0.020 . 2 . . . . 26 LEU HD1 . 15549 1 308 . 1 1 26 26 LEU HD13 H 1 0.617 0.020 . 2 . . . . 26 LEU HD1 . 15549 1 309 . 1 1 26 26 LEU HD21 H 1 0.616 0.020 . 2 . . . . 26 LEU HD2 . 15549 1 310 . 1 1 26 26 LEU HD22 H 1 0.616 0.020 . 2 . . . . 26 LEU HD2 . 15549 1 311 . 1 1 26 26 LEU HD23 H 1 0.616 0.020 . 2 . . . . 26 LEU HD2 . 15549 1 312 . 1 1 26 26 LEU HG H 1 1.482 0.020 . 1 . . . . 26 LEU HG . 15549 1 313 . 1 1 26 26 LEU C C 13 175.280 0.400 . 1 . . . . 26 LEU C . 15549 1 314 . 1 1 26 26 LEU CA C 13 55.215 0.400 . 1 . . . . 26 LEU CA . 15549 1 315 . 1 1 26 26 LEU CB C 13 43.416 0.400 . 1 . . . . 26 LEU CB . 15549 1 316 . 1 1 26 26 LEU CD1 C 13 25.125 0.400 . 1 . . . . 26 LEU CD1 . 15549 1 317 . 1 1 26 26 LEU CD2 C 13 23.767 0.400 . 1 . . . . 26 LEU CD2 . 15549 1 318 . 1 1 26 26 LEU CG C 13 27.347 0.400 . 1 . . . . 26 LEU CG . 15549 1 319 . 1 1 26 26 LEU N N 15 123.858 0.400 . 1 . . . . 26 LEU N . 15549 1 320 . 1 1 27 27 SER H H 1 8.456 0.020 . 1 . . . . 27 SER H . 15549 1 321 . 1 1 27 27 SER HA H 1 5.627 0.020 . 1 . . . . 27 SER HA . 15549 1 322 . 1 1 27 27 SER HB2 H 1 3.674 0.020 . 2 . . . . 27 SER HB2 . 15549 1 323 . 1 1 27 27 SER HB3 H 1 3.627 0.020 . 2 . . . . 27 SER HB3 . 15549 1 324 . 1 1 27 27 SER C C 13 172.880 0.400 . 1 . . . . 27 SER C . 15549 1 325 . 1 1 27 27 SER CA C 13 56.083 0.400 . 1 . . . . 27 SER CA . 15549 1 326 . 1 1 27 27 SER CB C 13 67.094 0.400 . 1 . . . . 27 SER CB . 15549 1 327 . 1 1 27 27 SER N N 15 115.137 0.400 . 1 . . . . 27 SER N . 15549 1 328 . 1 1 28 28 VAL H H 1 9.007 0.020 . 1 . . . . 28 VAL H . 15549 1 329 . 1 1 28 28 VAL HA H 1 4.755 0.020 . 1 . . . . 28 VAL HA . 15549 1 330 . 1 1 28 28 VAL HB H 1 1.867 0.020 . 1 . . . . 28 VAL HB . 15549 1 331 . 1 1 28 28 VAL HG11 H 1 1.096 0.020 . 2 . . . . 28 VAL HG1 . 15549 1 332 . 1 1 28 28 VAL HG12 H 1 1.096 0.020 . 2 . . . . 28 VAL HG1 . 15549 1 333 . 1 1 28 28 VAL HG13 H 1 1.096 0.020 . 2 . . . . 28 VAL HG1 . 15549 1 334 . 1 1 28 28 VAL HG21 H 1 0.899 0.020 . 2 . . . . 28 VAL HG2 . 15549 1 335 . 1 1 28 28 VAL HG22 H 1 0.899 0.020 . 2 . . . . 28 VAL HG2 . 15549 1 336 . 1 1 28 28 VAL HG23 H 1 0.899 0.020 . 2 . . . . 28 VAL HG2 . 15549 1 337 . 1 1 28 28 VAL C C 13 172.601 0.400 . 1 . . . . 28 VAL C . 15549 1 338 . 1 1 28 28 VAL CA C 13 59.168 0.400 . 1 . . . . 28 VAL CA . 15549 1 339 . 1 1 28 28 VAL CB C 13 36.125 0.400 . 1 . . . . 28 VAL CB . 15549 1 340 . 1 1 28 28 VAL CG1 C 13 22.031 0.400 . 1 . . . . 28 VAL CG1 . 15549 1 341 . 1 1 28 28 VAL CG2 C 13 21.370 0.400 . 1 . . . . 28 VAL CG2 . 15549 1 342 . 1 1 28 28 VAL N N 15 122.709 0.400 . 1 . . . . 28 VAL N . 15549 1 343 . 1 1 29 29 LYS H H 1 8.326 0.020 . 1 . . . . 29 LYS H . 15549 1 344 . 1 1 29 29 LYS HA H 1 5.008 0.020 . 1 . . . . 29 LYS HA . 15549 1 345 . 1 1 29 29 LYS HB2 H 1 2.232 0.020 . 2 . . . . 29 LYS HB2 . 15549 1 346 . 1 1 29 29 LYS HB3 H 1 1.850 0.020 . 2 . . . . 29 LYS HB3 . 15549 1 347 . 1 1 29 29 LYS HD2 H 1 1.758 0.020 . 2 . . . . 29 LYS HD2 . 15549 1 348 . 1 1 29 29 LYS HD3 H 1 1.549 0.020 . 2 . . . . 29 LYS HD3 . 15549 1 349 . 1 1 29 29 LYS HE2 H 1 3.115 0.020 . 2 . . . . 29 LYS HE2 . 15549 1 350 . 1 1 29 29 LYS HE3 H 1 2.961 0.020 . 2 . . . . 29 LYS HE3 . 15549 1 351 . 1 1 29 29 LYS HG2 H 1 1.584 0.020 . 2 . . . . 29 LYS HG2 . 15549 1 352 . 1 1 29 29 LYS HG3 H 1 1.562 0.020 . 2 . . . . 29 LYS HG3 . 15549 1 353 . 1 1 29 29 LYS C C 13 179.462 0.400 . 1 . . . . 29 LYS C . 15549 1 354 . 1 1 29 29 LYS CA C 13 55.541 0.400 . 1 . . . . 29 LYS CA . 15549 1 355 . 1 1 29 29 LYS CB C 13 33.284 0.400 . 1 . . . . 29 LYS CB . 15549 1 356 . 1 1 29 29 LYS CD C 13 29.122 0.400 . 1 . . . . 29 LYS CD . 15549 1 357 . 1 1 29 29 LYS CE C 13 42.535 0.400 . 1 . . . . 29 LYS CE . 15549 1 358 . 1 1 29 29 LYS CG C 13 25.631 0.400 . 1 . . . . 29 LYS CG . 15549 1 359 . 1 1 29 29 LYS N N 15 125.983 0.400 . 1 . . . . 29 LYS N . 15549 1 360 . 1 1 30 30 PHE H H 1 9.403 0.020 . 1 . . . . 30 PHE H . 15549 1 361 . 1 1 30 30 PHE HA H 1 4.114 0.020 . 1 . . . . 30 PHE HA . 15549 1 362 . 1 1 30 30 PHE HB2 H 1 3.061 0.020 . 2 . . . . 30 PHE HB2 . 15549 1 363 . 1 1 30 30 PHE HB3 H 1 3.416 0.020 . 2 . . . . 30 PHE HB3 . 15549 1 364 . 1 1 30 30 PHE HD1 H 1 6.957 0.020 . 1 . . . . 30 PHE HD1 . 15549 1 365 . 1 1 30 30 PHE C C 13 176.829 0.400 . 1 . . . . 30 PHE C . 15549 1 366 . 1 1 30 30 PHE CA C 13 61.660 0.400 . 1 . . . . 30 PHE CA . 15549 1 367 . 1 1 30 30 PHE CB C 13 38.257 0.400 . 1 . . . . 30 PHE CB . 15549 1 368 . 1 1 30 30 PHE CD1 C 13 131.641 0.400 . 1 . . . . 30 PHE CD1 . 15549 1 369 . 1 1 30 30 PHE N N 15 123.596 0.400 . 1 . . . . 30 PHE N . 15549 1 370 . 1 1 31 31 GLY H H 1 9.511 0.020 . 1 . . . . 31 GLY H . 15549 1 371 . 1 1 31 31 GLY HA2 H 1 3.473 0.020 . 2 . . . . 31 GLY HA2 . 15549 1 372 . 1 1 31 31 GLY HA3 H 1 3.797 0.020 . 2 . . . . 31 GLY HA3 . 15549 1 373 . 1 1 31 31 GLY C C 13 175.606 0.400 . 1 . . . . 31 GLY C . 15549 1 374 . 1 1 31 31 GLY CA C 13 46.843 0.400 . 1 . . . . 31 GLY CA . 15549 1 375 . 1 1 31 31 GLY N N 15 103.466 0.400 . 1 . . . . 31 GLY N . 15549 1 376 . 1 1 32 32 VAL H H 1 6.886 0.020 . 1 . . . . 32 VAL H . 15549 1 377 . 1 1 32 32 VAL HA H 1 3.660 0.020 . 1 . . . . 32 VAL HA . 15549 1 378 . 1 1 32 32 VAL HB H 1 2.270 0.020 . 1 . . . . 32 VAL HB . 15549 1 379 . 1 1 32 32 VAL HG11 H 1 1.093 0.020 . 2 . . . . 32 VAL HG1 . 15549 1 380 . 1 1 32 32 VAL HG12 H 1 1.093 0.020 . 2 . . . . 32 VAL HG1 . 15549 1 381 . 1 1 32 32 VAL HG13 H 1 1.093 0.020 . 2 . . . . 32 VAL HG1 . 15549 1 382 . 1 1 32 32 VAL HG21 H 1 0.959 0.020 . 2 . . . . 32 VAL HG2 . 15549 1 383 . 1 1 32 32 VAL HG22 H 1 0.959 0.020 . 2 . . . . 32 VAL HG2 . 15549 1 384 . 1 1 32 32 VAL HG23 H 1 0.959 0.020 . 2 . . . . 32 VAL HG2 . 15549 1 385 . 1 1 32 32 VAL C C 13 178.333 0.400 . 1 . . . . 32 VAL C . 15549 1 386 . 1 1 32 32 VAL CA C 13 65.454 0.400 . 1 . . . . 32 VAL CA . 15549 1 387 . 1 1 32 32 VAL CB C 13 31.952 0.400 . 1 . . . . 32 VAL CB . 15549 1 388 . 1 1 32 32 VAL CG1 C 13 22.514 0.400 . 1 . . . . 32 VAL CG1 . 15549 1 389 . 1 1 32 32 VAL CG2 C 13 21.560 0.400 . 1 . . . . 32 VAL CG2 . 15549 1 390 . 1 1 32 32 VAL N N 15 120.057 0.400 . 1 . . . . 32 VAL N . 15549 1 391 . 1 1 33 33 LEU H H 1 7.387 0.020 . 1 . . . . 33 LEU H . 15549 1 392 . 1 1 33 33 LEU HA H 1 3.953 0.020 . 1 . . . . 33 LEU HA . 15549 1 393 . 1 1 33 33 LEU HB2 H 1 1.605 0.020 . 2 . . . . 33 LEU HB2 . 15549 1 394 . 1 1 33 33 LEU HB3 H 1 1.605 0.020 . 2 . . . . 33 LEU HB3 . 15549 1 395 . 1 1 33 33 LEU HD11 H 1 0.778 0.020 . 2 . . . . 33 LEU HD1 . 15549 1 396 . 1 1 33 33 LEU HD12 H 1 0.778 0.020 . 2 . . . . 33 LEU HD1 . 15549 1 397 . 1 1 33 33 LEU HD13 H 1 0.778 0.020 . 2 . . . . 33 LEU HD1 . 15549 1 398 . 1 1 33 33 LEU HD21 H 1 0.836 0.020 . 2 . . . . 33 LEU HD2 . 15549 1 399 . 1 1 33 33 LEU HD22 H 1 0.836 0.020 . 2 . . . . 33 LEU HD2 . 15549 1 400 . 1 1 33 33 LEU HD23 H 1 0.836 0.020 . 2 . . . . 33 LEU HD2 . 15549 1 401 . 1 1 33 33 LEU HG H 1 1.611 0.020 . 1 . . . . 33 LEU HG . 15549 1 402 . 1 1 33 33 LEU C C 13 177.814 0.400 . 1 . . . . 33 LEU C . 15549 1 403 . 1 1 33 33 LEU CA C 13 57.456 0.400 . 1 . . . . 33 LEU CA . 15549 1 404 . 1 1 33 33 LEU CB C 13 42.494 0.400 . 1 . . . . 33 LEU CB . 15549 1 405 . 1 1 33 33 LEU CD1 C 13 24.820 0.400 . 1 . . . . 33 LEU CD1 . 15549 1 406 . 1 1 33 33 LEU CD2 C 13 24.809 0.400 . 1 . . . . 33 LEU CD2 . 15549 1 407 . 1 1 33 33 LEU CG C 13 26.450 0.400 . 1 . . . . 33 LEU CG . 15549 1 408 . 1 1 33 33 LEU N N 15 120.142 0.400 . 1 . . . . 33 LEU N . 15549 1 409 . 1 1 34 34 PHE H H 1 8.612 0.020 . 1 . . . . 34 PHE H . 15549 1 410 . 1 1 34 34 PHE HA H 1 3.940 0.020 . 1 . . . . 34 PHE HA . 15549 1 411 . 1 1 34 34 PHE HB2 H 1 2.649 0.020 . 2 . . . . 34 PHE HB2 . 15549 1 412 . 1 1 34 34 PHE HB3 H 1 2.384 0.020 . 2 . . . . 34 PHE HB3 . 15549 1 413 . 1 1 34 34 PHE HD1 H 1 6.876 0.020 . 1 . . . . 34 PHE HD1 . 15549 1 414 . 1 1 34 34 PHE C C 13 177.015 0.400 . 1 . . . . 34 PHE C . 15549 1 415 . 1 1 34 34 PHE CA C 13 60.357 0.400 . 1 . . . . 34 PHE CA . 15549 1 416 . 1 1 34 34 PHE CB C 13 38.750 0.400 . 1 . . . . 34 PHE CB . 15549 1 417 . 1 1 34 34 PHE CD1 C 13 131.920 0.400 . 1 . . . . 34 PHE CD1 . 15549 1 418 . 1 1 34 34 PHE N N 15 117.777 0.400 . 1 . . . . 34 PHE N . 15549 1 419 . 1 1 35 35 ARG H H 1 7.576 0.020 . 1 . . . . 35 ARG H . 15549 1 420 . 1 1 35 35 ARG HA H 1 3.965 0.020 . 1 . . . . 35 ARG HA . 15549 1 421 . 1 1 35 35 ARG HB2 H 1 1.869 0.020 . 2 . . . . 35 ARG HB2 . 15549 1 422 . 1 1 35 35 ARG HB3 H 1 1.873 0.020 . 2 . . . . 35 ARG HB3 . 15549 1 423 . 1 1 35 35 ARG HD2 H 1 3.226 0.020 . 2 . . . . 35 ARG HD2 . 15549 1 424 . 1 1 35 35 ARG HD3 H 1 3.154 0.020 . 2 . . . . 35 ARG HD3 . 15549 1 425 . 1 1 35 35 ARG HE H 1 7.273 0.020 . 1 . . . . 35 ARG HE . 15549 1 426 . 1 1 35 35 ARG HG2 H 1 1.599 0.020 . 2 . . . . 35 ARG HG2 . 15549 1 427 . 1 1 35 35 ARG HG3 H 1 1.831 0.020 . 2 . . . . 35 ARG HG3 . 15549 1 428 . 1 1 35 35 ARG C C 13 177.890 0.400 . 1 . . . . 35 ARG C . 15549 1 429 . 1 1 35 35 ARG CA C 13 58.673 0.400 . 1 . . . . 35 ARG CA . 15549 1 430 . 1 1 35 35 ARG CB C 13 30.213 0.400 . 1 . . . . 35 ARG CB . 15549 1 431 . 1 1 35 35 ARG CD C 13 43.487 0.400 . 1 . . . . 35 ARG CD . 15549 1 432 . 1 1 35 35 ARG CG C 13 28.281 0.400 . 1 . . . . 35 ARG CG . 15549 1 433 . 1 1 35 35 ARG N N 15 118.160 0.400 . 1 . . . . 35 ARG N . 15549 1 434 . 1 1 35 35 ARG NE N 15 84.953 0.400 . 1 . . . . 35 ARG NE . 15549 1 435 . 1 1 36 36 ASP H H 1 7.784 0.020 . 1 . . . . 36 ASP H . 15549 1 436 . 1 1 36 36 ASP HA H 1 4.476 0.020 . 1 . . . . 36 ASP HA . 15549 1 437 . 1 1 36 36 ASP HB2 H 1 2.922 0.020 . 2 . . . . 36 ASP HB2 . 15549 1 438 . 1 1 36 36 ASP HB3 H 1 2.765 0.020 . 2 . . . . 36 ASP HB3 . 15549 1 439 . 1 1 36 36 ASP C C 13 176.830 0.400 . 1 . . . . 36 ASP C . 15549 1 440 . 1 1 36 36 ASP CA C 13 56.119 0.400 . 1 . . . . 36 ASP CA . 15549 1 441 . 1 1 36 36 ASP CB C 13 40.669 0.400 . 1 . . . . 36 ASP CB . 15549 1 442 . 1 1 36 36 ASP N N 15 119.724 0.400 . 1 . . . . 36 ASP N . 15549 1 443 . 1 1 37 37 ASP H H 1 8.191 0.020 . 1 . . . . 37 ASP H . 15549 1 444 . 1 1 37 37 ASP HA H 1 4.439 0.020 . 1 . . . . 37 ASP HA . 15549 1 445 . 1 1 37 37 ASP HB2 H 1 2.818 0.020 . 2 . . . . 37 ASP HB2 . 15549 1 446 . 1 1 37 37 ASP HB3 H 1 2.819 0.020 . 2 . . . . 37 ASP HB3 . 15549 1 447 . 1 1 37 37 ASP C C 13 177.408 0.400 . 1 . . . . 37 ASP C . 15549 1 448 . 1 1 37 37 ASP CA C 13 56.370 0.400 . 1 . . . . 37 ASP CA . 15549 1 449 . 1 1 37 37 ASP CB C 13 41.679 0.400 . 1 . . . . 37 ASP CB . 15549 1 450 . 1 1 37 37 ASP N N 15 119.019 0.400 . 1 . . . . 37 ASP N . 15549 1 451 . 1 1 38 38 LYS H H 1 8.031 0.020 . 1 . . . . 38 LYS H . 15549 1 452 . 1 1 38 38 LYS HA H 1 4.093 0.020 . 1 . . . . 38 LYS HA . 15549 1 453 . 1 1 38 38 LYS HB2 H 1 1.783 0.020 . 2 . . . . 38 LYS HB2 . 15549 1 454 . 1 1 38 38 LYS HB3 H 1 1.763 0.020 . 2 . . . . 38 LYS HB3 . 15549 1 455 . 1 1 38 38 LYS HD2 H 1 1.594 0.020 . 2 . . . . 38 LYS HD2 . 15549 1 456 . 1 1 38 38 LYS HD3 H 1 1.598 0.020 . 2 . . . . 38 LYS HD3 . 15549 1 457 . 1 1 38 38 LYS HE2 H 1 2.897 0.020 . 2 . . . . 38 LYS HE2 . 15549 1 458 . 1 1 38 38 LYS HE3 H 1 3.015 0.020 . 2 . . . . 38 LYS HE3 . 15549 1 459 . 1 1 38 38 LYS HG2 H 1 1.366 0.020 . 2 . . . . 38 LYS HG2 . 15549 1 460 . 1 1 38 38 LYS HG3 H 1 1.298 0.020 . 2 . . . . 38 LYS HG3 . 15549 1 461 . 1 1 38 38 LYS C C 13 178.198 0.400 . 1 . . . . 38 LYS C . 15549 1 462 . 1 1 38 38 LYS CA C 13 57.560 0.400 . 1 . . . . 38 LYS CA . 15549 1 463 . 1 1 38 38 LYS CB C 13 31.889 0.400 . 1 . . . . 38 LYS CB . 15549 1 464 . 1 1 38 38 LYS CD C 13 28.373 0.400 . 1 . . . . 38 LYS CD . 15549 1 465 . 1 1 38 38 LYS CE C 13 42.225 0.400 . 1 . . . . 38 LYS CE . 15549 1 466 . 1 1 38 38 LYS CG C 13 24.414 0.400 . 1 . . . . 38 LYS CG . 15549 1 467 . 1 1 38 38 LYS N N 15 118.029 0.400 . 1 . . . . 38 LYS N . 15549 1 468 . 1 1 39 39 SER H H 1 7.902 0.020 . 1 . . . . 39 SER H . 15549 1 469 . 1 1 39 39 SER HA H 1 4.333 0.020 . 1 . . . . 39 SER HA . 15549 1 470 . 1 1 39 39 SER HB2 H 1 3.972 0.020 . 2 . . . . 39 SER HB2 . 15549 1 471 . 1 1 39 39 SER HB3 H 1 3.974 0.020 . 2 . . . . 39 SER HB3 . 15549 1 472 . 1 1 39 39 SER C C 13 175.008 0.400 . 1 . . . . 39 SER C . 15549 1 473 . 1 1 39 39 SER CA C 13 59.944 0.400 . 1 . . . . 39 SER CA . 15549 1 474 . 1 1 39 39 SER CB C 13 63.685 0.400 . 1 . . . . 39 SER CB . 15549 1 475 . 1 1 39 39 SER N N 15 113.300 0.400 . 1 . . . . 39 SER N . 15549 1 476 . 1 1 40 40 ALA H H 1 7.841 0.020 . 1 . . . . 40 ALA H . 15549 1 477 . 1 1 40 40 ALA HA H 1 4.435 0.020 . 1 . . . . 40 ALA HA . 15549 1 478 . 1 1 40 40 ALA HB1 H 1 1.364 0.020 . 1 . . . . 40 ALA HB . 15549 1 479 . 1 1 40 40 ALA HB2 H 1 1.364 0.020 . 1 . . . . 40 ALA HB . 15549 1 480 . 1 1 40 40 ALA HB3 H 1 1.364 0.020 . 1 . . . . 40 ALA HB . 15549 1 481 . 1 1 40 40 ALA C C 13 177.022 0.400 . 1 . . . . 40 ALA C . 15549 1 482 . 1 1 40 40 ALA CA C 13 52.687 0.400 . 1 . . . . 40 ALA CA . 15549 1 483 . 1 1 40 40 ALA CB C 13 19.535 0.400 . 1 . . . . 40 ALA CB . 15549 1 484 . 1 1 40 40 ALA N N 15 122.875 0.400 . 1 . . . . 40 ALA N . 15549 1 485 . 1 1 41 41 ASN H H 1 8.317 0.020 . 1 . . . . 41 ASN H . 15549 1 486 . 1 1 41 41 ASN HA H 1 4.547 0.020 . 1 . . . . 41 ASN HA . 15549 1 487 . 1 1 41 41 ASN HB2 H 1 2.864 0.020 . 2 . . . . 41 ASN HB2 . 15549 1 488 . 1 1 41 41 ASN HB3 H 1 2.745 0.020 . 2 . . . . 41 ASN HB3 . 15549 1 489 . 1 1 41 41 ASN HD21 H 1 7.493 0.020 . 2 . . . . 41 ASN HD21 . 15549 1 490 . 1 1 41 41 ASN HD22 H 1 6.821 0.020 . 2 . . . . 41 ASN HD22 . 15549 1 491 . 1 1 41 41 ASN C C 13 175.546 0.400 . 1 . . . . 41 ASN C . 15549 1 492 . 1 1 41 41 ASN CA C 13 54.328 0.400 . 1 . . . . 41 ASN CA . 15549 1 493 . 1 1 41 41 ASN CB C 13 37.665 0.400 . 1 . . . . 41 ASN CB . 15549 1 494 . 1 1 41 41 ASN N N 15 117.704 0.400 . 1 . . . . 41 ASN N . 15549 1 495 . 1 1 41 41 ASN ND2 N 15 111.915 0.400 . 1 . . . . 41 ASN ND2 . 15549 1 496 . 1 1 42 42 LEU H H 1 7.732 0.020 . 1 . . . . 42 LEU H . 15549 1 497 . 1 1 42 42 LEU HA H 1 4.052 0.020 . 1 . . . . 42 LEU HA . 15549 1 498 . 1 1 42 42 LEU HB2 H 1 1.118 0.020 . 2 . . . . 42 LEU HB2 . 15549 1 499 . 1 1 42 42 LEU HB3 H 1 1.621 0.020 . 2 . . . . 42 LEU HB3 . 15549 1 500 . 1 1 42 42 LEU HD11 H 1 0.724 0.020 . 2 . . . . 42 LEU HD1 . 15549 1 501 . 1 1 42 42 LEU HD12 H 1 0.724 0.020 . 2 . . . . 42 LEU HD1 . 15549 1 502 . 1 1 42 42 LEU HD13 H 1 0.724 0.020 . 2 . . . . 42 LEU HD1 . 15549 1 503 . 1 1 42 42 LEU HD21 H 1 0.775 0.020 . 2 . . . . 42 LEU HD2 . 15549 1 504 . 1 1 42 42 LEU HD22 H 1 0.775 0.020 . 2 . . . . 42 LEU HD2 . 15549 1 505 . 1 1 42 42 LEU HD23 H 1 0.775 0.020 . 2 . . . . 42 LEU HD2 . 15549 1 506 . 1 1 42 42 LEU HG H 1 1.439 0.020 . 1 . . . . 42 LEU HG . 15549 1 507 . 1 1 42 42 LEU C C 13 177.394 0.400 . 1 . . . . 42 LEU C . 15549 1 508 . 1 1 42 42 LEU CA C 13 57.000 0.400 . 1 . . . . 42 LEU CA . 15549 1 509 . 1 1 42 42 LEU CB C 13 43.603 0.400 . 1 . . . . 42 LEU CB . 15549 1 510 . 1 1 42 42 LEU CD1 C 13 23.349 0.400 . 1 . . . . 42 LEU CD1 . 15549 1 511 . 1 1 42 42 LEU CD2 C 13 25.191 0.400 . 1 . . . . 42 LEU CD2 . 15549 1 512 . 1 1 42 42 LEU CG C 13 26.831 0.400 . 1 . . . . 42 LEU CG . 15549 1 513 . 1 1 42 42 LEU N N 15 119.631 0.400 . 1 . . . . 42 LEU N . 15549 1 514 . 1 1 43 43 PHE H H 1 8.641 0.020 . 1 . . . . 43 PHE H . 15549 1 515 . 1 1 43 43 PHE HA H 1 4.454 0.020 . 1 . . . . 43 PHE HA . 15549 1 516 . 1 1 43 43 PHE HB2 H 1 3.080 0.020 . 2 . . . . 43 PHE HB2 . 15549 1 517 . 1 1 43 43 PHE HB3 H 1 2.940 0.020 . 2 . . . . 43 PHE HB3 . 15549 1 518 . 1 1 43 43 PHE HD1 H 1 7.220 0.020 . 1 . . . . 43 PHE HD1 . 15549 1 519 . 1 1 43 43 PHE HE1 H 1 7.226 0.020 . 1 . . . . 43 PHE HE1 . 15549 1 520 . 1 1 43 43 PHE HZ H 1 6.885 0.020 . 1 . . . . 43 PHE HZ . 15549 1 521 . 1 1 43 43 PHE CA C 13 58.282 0.400 . 1 . . . . 43 PHE CA . 15549 1 522 . 1 1 43 43 PHE CB C 13 39.751 0.400 . 1 . . . . 43 PHE CB . 15549 1 523 . 1 1 43 43 PHE CD1 C 13 132.696 0.400 . 1 . . . . 43 PHE CD1 . 15549 1 524 . 1 1 43 43 PHE CE1 C 13 131.009 0.400 . 1 . . . . 43 PHE CE1 . 15549 1 525 . 1 1 43 43 PHE CZ C 13 128.590 0.400 . 1 . . . . 43 PHE CZ . 15549 1 526 . 1 1 43 43 PHE N N 15 117.525 0.400 . 1 . . . . 43 PHE N . 15549 1 527 . 1 1 44 44 GLU H H 1 9.129 0.020 . 1 . . . . 44 GLU H . 15549 1 528 . 1 1 44 44 GLU HA H 1 4.039 0.020 . 1 . . . . 44 GLU HA . 15549 1 529 . 1 1 44 44 GLU HB2 H 1 2.075 0.020 . 2 . . . . 44 GLU HB2 . 15549 1 530 . 1 1 44 44 GLU HB3 H 1 2.082 0.020 . 2 . . . . 44 GLU HB3 . 15549 1 531 . 1 1 44 44 GLU HG2 H 1 2.347 0.020 . 2 . . . . 44 GLU HG2 . 15549 1 532 . 1 1 44 44 GLU HG3 H 1 2.456 0.020 . 2 . . . . 44 GLU HG3 . 15549 1 533 . 1 1 44 44 GLU CA C 13 59.432 0.400 . 1 . . . . 44 GLU CA . 15549 1 534 . 1 1 44 44 GLU CB C 13 29.090 0.400 . 1 . . . . 44 GLU CB . 15549 1 535 . 1 1 44 44 GLU CG C 13 35.781 0.400 . 1 . . . . 44 GLU CG . 15549 1 536 . 1 1 44 44 GLU N N 15 123.326 0.400 . 1 . . . . 44 GLU N . 15549 1 537 . 1 1 45 45 ALA HA H 1 4.470 0.020 . 1 . . . . 45 ALA HA . 15549 1 538 . 1 1 45 45 ALA HB1 H 1 1.414 0.020 . 1 . . . . 45 ALA HB . 15549 1 539 . 1 1 45 45 ALA HB2 H 1 1.414 0.020 . 1 . . . . 45 ALA HB . 15549 1 540 . 1 1 45 45 ALA HB3 H 1 1.414 0.020 . 1 . . . . 45 ALA HB . 15549 1 541 . 1 1 45 45 ALA C C 13 177.239 0.400 . 1 . . . . 45 ALA C . 15549 1 542 . 1 1 45 45 ALA CA C 13 52.408 0.400 . 1 . . . . 45 ALA CA . 15549 1 543 . 1 1 45 45 ALA CB C 13 18.548 0.400 . 1 . . . . 45 ALA CB . 15549 1 544 . 1 1 46 46 LEU H H 1 8.704 0.020 . 1 . . . . 46 LEU H . 15549 1 545 . 1 1 46 46 LEU HA H 1 3.751 0.020 . 1 . . . . 46 LEU HA . 15549 1 546 . 1 1 46 46 LEU HB2 H 1 1.807 0.020 . 2 . . . . 46 LEU HB2 . 15549 1 547 . 1 1 46 46 LEU HB3 H 1 1.574 0.020 . 2 . . . . 46 LEU HB3 . 15549 1 548 . 1 1 46 46 LEU HD11 H 1 0.771 0.020 . 2 . . . . 46 LEU HD1 . 15549 1 549 . 1 1 46 46 LEU HD12 H 1 0.771 0.020 . 2 . . . . 46 LEU HD1 . 15549 1 550 . 1 1 46 46 LEU HD13 H 1 0.771 0.020 . 2 . . . . 46 LEU HD1 . 15549 1 551 . 1 1 46 46 LEU HD21 H 1 0.377 0.020 . 2 . . . . 46 LEU HD2 . 15549 1 552 . 1 1 46 46 LEU HD22 H 1 0.377 0.020 . 2 . . . . 46 LEU HD2 . 15549 1 553 . 1 1 46 46 LEU HD23 H 1 0.377 0.020 . 2 . . . . 46 LEU HD2 . 15549 1 554 . 1 1 46 46 LEU HG H 1 1.389 0.020 . 1 . . . . 46 LEU HG . 15549 1 555 . 1 1 46 46 LEU C C 13 178.069 0.400 . 1 . . . . 46 LEU C . 15549 1 556 . 1 1 46 46 LEU CA C 13 59.079 0.400 . 1 . . . . 46 LEU CA . 15549 1 557 . 1 1 46 46 LEU CB C 13 41.263 0.400 . 1 . . . . 46 LEU CB . 15549 1 558 . 1 1 46 46 LEU CD1 C 13 26.201 0.400 . 1 . . . . 46 LEU CD1 . 15549 1 559 . 1 1 46 46 LEU CD2 C 13 21.829 0.400 . 1 . . . . 46 LEU CD2 . 15549 1 560 . 1 1 46 46 LEU CG C 13 27.255 0.400 . 1 . . . . 46 LEU CG . 15549 1 561 . 1 1 46 46 LEU N N 15 126.652 0.400 . 1 . . . . 46 LEU N . 15549 1 562 . 1 1 47 47 VAL H H 1 8.604 0.020 . 1 . . . . 47 VAL H . 15549 1 563 . 1 1 47 47 VAL HA H 1 3.627 0.020 . 1 . . . . 47 VAL HA . 15549 1 564 . 1 1 47 47 VAL HB H 1 2.107 0.020 . 1 . . . . 47 VAL HB . 15549 1 565 . 1 1 47 47 VAL HG11 H 1 1.006 0.020 . 2 . . . . 47 VAL HG1 . 15549 1 566 . 1 1 47 47 VAL HG12 H 1 1.006 0.020 . 2 . . . . 47 VAL HG1 . 15549 1 567 . 1 1 47 47 VAL HG13 H 1 1.006 0.020 . 2 . . . . 47 VAL HG1 . 15549 1 568 . 1 1 47 47 VAL HG21 H 1 0.972 0.020 . 2 . . . . 47 VAL HG2 . 15549 1 569 . 1 1 47 47 VAL HG22 H 1 0.972 0.020 . 2 . . . . 47 VAL HG2 . 15549 1 570 . 1 1 47 47 VAL HG23 H 1 0.972 0.020 . 2 . . . . 47 VAL HG2 . 15549 1 571 . 1 1 47 47 VAL C C 13 178.591 0.400 . 1 . . . . 47 VAL C . 15549 1 572 . 1 1 47 47 VAL CA C 13 67.330 0.400 . 1 . . . . 47 VAL CA . 15549 1 573 . 1 1 47 47 VAL CB C 13 31.148 0.400 . 1 . . . . 47 VAL CB . 15549 1 574 . 1 1 47 47 VAL CG1 C 13 22.557 0.400 . 1 . . . . 47 VAL CG1 . 15549 1 575 . 1 1 47 47 VAL CG2 C 13 21.797 0.400 . 1 . . . . 47 VAL CG2 . 15549 1 576 . 1 1 47 47 VAL N N 15 116.250 0.400 . 1 . . . . 47 VAL N . 15549 1 577 . 1 1 48 48 GLY H H 1 7.799 0.020 . 1 . . . . 48 GLY H . 15549 1 578 . 1 1 48 48 GLY HA2 H 1 3.865 0.020 . 2 . . . . 48 GLY HA2 . 15549 1 579 . 1 1 48 48 GLY HA3 H 1 4.021 0.020 . 2 . . . . 48 GLY HA3 . 15549 1 580 . 1 1 48 48 GLY C C 13 177.213 0.400 . 1 . . . . 48 GLY C . 15549 1 581 . 1 1 48 48 GLY CA C 13 47.227 0.400 . 1 . . . . 48 GLY CA . 15549 1 582 . 1 1 48 48 GLY N N 15 108.082 0.400 . 1 . . . . 48 GLY N . 15549 1 583 . 1 1 49 49 THR H H 1 8.463 0.020 . 1 . . . . 49 THR H . 15549 1 584 . 1 1 49 49 THR HA H 1 3.914 0.020 . 1 . . . . 49 THR HA . 15549 1 585 . 1 1 49 49 THR HB H 1 4.173 0.020 . 1 . . . . 49 THR HB . 15549 1 586 . 1 1 49 49 THR HG21 H 1 1.130 0.020 . 1 . . . . 49 THR HG2 . 15549 1 587 . 1 1 49 49 THR HG22 H 1 1.130 0.020 . 1 . . . . 49 THR HG2 . 15549 1 588 . 1 1 49 49 THR HG23 H 1 1.130 0.020 . 1 . . . . 49 THR HG2 . 15549 1 589 . 1 1 49 49 THR C C 13 176.169 0.400 . 1 . . . . 49 THR C . 15549 1 590 . 1 1 49 49 THR CA C 13 67.452 0.400 . 1 . . . . 49 THR CA . 15549 1 591 . 1 1 49 49 THR CB C 13 68.175 0.400 . 1 . . . . 49 THR CB . 15549 1 592 . 1 1 49 49 THR CG2 C 13 22.825 0.400 . 1 . . . . 49 THR CG2 . 15549 1 593 . 1 1 49 49 THR N N 15 122.799 0.400 . 1 . . . . 49 THR N . 15549 1 594 . 1 1 50 50 LEU H H 1 8.605 0.020 . 1 . . . . 50 LEU H . 15549 1 595 . 1 1 50 50 LEU HA H 1 3.808 0.020 . 1 . . . . 50 LEU HA . 15549 1 596 . 1 1 50 50 LEU HB2 H 1 1.387 0.020 . 2 . . . . 50 LEU HB2 . 15549 1 597 . 1 1 50 50 LEU HB3 H 1 1.970 0.020 . 2 . . . . 50 LEU HB3 . 15549 1 598 . 1 1 50 50 LEU HD11 H 1 0.749 0.020 . 2 . . . . 50 LEU HD1 . 15549 1 599 . 1 1 50 50 LEU HD12 H 1 0.749 0.020 . 2 . . . . 50 LEU HD1 . 15549 1 600 . 1 1 50 50 LEU HD13 H 1 0.749 0.020 . 2 . . . . 50 LEU HD1 . 15549 1 601 . 1 1 50 50 LEU HD21 H 1 0.781 0.020 . 2 . . . . 50 LEU HD2 . 15549 1 602 . 1 1 50 50 LEU HD22 H 1 0.781 0.020 . 2 . . . . 50 LEU HD2 . 15549 1 603 . 1 1 50 50 LEU HD23 H 1 0.781 0.020 . 2 . . . . 50 LEU HD2 . 15549 1 604 . 1 1 50 50 LEU HG H 1 1.557 0.020 . 1 . . . . 50 LEU HG . 15549 1 605 . 1 1 50 50 LEU C C 13 178.230 0.400 . 1 . . . . 50 LEU C . 15549 1 606 . 1 1 50 50 LEU CA C 13 59.035 0.400 . 1 . . . . 50 LEU CA . 15549 1 607 . 1 1 50 50 LEU CB C 13 40.986 0.400 . 1 . . . . 50 LEU CB . 15549 1 608 . 1 1 50 50 LEU CD1 C 13 26.517 0.400 . 1 . . . . 50 LEU CD1 . 15549 1 609 . 1 1 50 50 LEU CD2 C 13 25.395 0.400 . 1 . . . . 50 LEU CD2 . 15549 1 610 . 1 1 50 50 LEU CG C 13 27.696 0.400 . 1 . . . . 50 LEU CG . 15549 1 611 . 1 1 50 50 LEU N N 15 123.644 0.400 . 1 . . . . 50 LEU N . 15549 1 612 . 1 1 51 51 LYS H H 1 8.015 0.020 . 1 . . . . 51 LYS H . 15549 1 613 . 1 1 51 51 LYS HA H 1 4.254 0.020 . 1 . . . . 51 LYS HA . 15549 1 614 . 1 1 51 51 LYS HB2 H 1 1.948 0.020 . 2 . . . . 51 LYS HB2 . 15549 1 615 . 1 1 51 51 LYS HB3 H 1 1.950 0.020 . 2 . . . . 51 LYS HB3 . 15549 1 616 . 1 1 51 51 LYS HD2 H 1 1.718 0.020 . 2 . . . . 51 LYS HD2 . 15549 1 617 . 1 1 51 51 LYS HD3 H 1 1.721 0.020 . 2 . . . . 51 LYS HD3 . 15549 1 618 . 1 1 51 51 LYS HE2 H 1 2.971 0.020 . 2 . . . . 51 LYS HE2 . 15549 1 619 . 1 1 51 51 LYS HE3 H 1 2.970 0.020 . 2 . . . . 51 LYS HE3 . 15549 1 620 . 1 1 51 51 LYS HG2 H 1 1.485 0.020 . 2 . . . . 51 LYS HG2 . 15549 1 621 . 1 1 51 51 LYS HG3 H 1 1.710 0.020 . 2 . . . . 51 LYS HG3 . 15549 1 622 . 1 1 51 51 LYS C C 13 179.897 0.400 . 1 . . . . 51 LYS C . 15549 1 623 . 1 1 51 51 LYS CA C 13 60.005 0.400 . 1 . . . . 51 LYS CA . 15549 1 624 . 1 1 51 51 LYS CB C 13 32.597 0.400 . 1 . . . . 51 LYS CB . 15549 1 625 . 1 1 51 51 LYS CD C 13 29.923 0.400 . 1 . . . . 51 LYS CD . 15549 1 626 . 1 1 51 51 LYS CE C 13 42.023 0.400 . 1 . . . . 51 LYS CE . 15549 1 627 . 1 1 51 51 LYS CG C 13 25.422 0.400 . 1 . . . . 51 LYS CG . 15549 1 628 . 1 1 51 51 LYS N N 15 119.293 0.400 . 1 . . . . 51 LYS N . 15549 1 629 . 1 1 52 52 ALA H H 1 7.939 0.020 . 1 . . . . 52 ALA H . 15549 1 630 . 1 1 52 52 ALA HA H 1 4.143 0.020 . 1 . . . . 52 ALA HA . 15549 1 631 . 1 1 52 52 ALA HB1 H 1 1.489 0.020 . 1 . . . . 52 ALA HB . 15549 1 632 . 1 1 52 52 ALA HB2 H 1 1.489 0.020 . 1 . . . . 52 ALA HB . 15549 1 633 . 1 1 52 52 ALA HB3 H 1 1.489 0.020 . 1 . . . . 52 ALA HB . 15549 1 634 . 1 1 52 52 ALA C C 13 180.184 0.400 . 1 . . . . 52 ALA C . 15549 1 635 . 1 1 52 52 ALA CA C 13 55.018 0.400 . 1 . . . . 52 ALA CA . 15549 1 636 . 1 1 52 52 ALA CB C 13 18.021 0.400 . 1 . . . . 52 ALA CB . 15549 1 637 . 1 1 52 52 ALA N N 15 122.833 0.400 . 1 . . . . 52 ALA N . 15549 1 638 . 1 1 53 53 ALA H H 1 8.899 0.020 . 1 . . . . 53 ALA H . 15549 1 639 . 1 1 53 53 ALA HA H 1 3.965 0.020 . 1 . . . . 53 ALA HA . 15549 1 640 . 1 1 53 53 ALA HB1 H 1 1.506 0.020 . 1 . . . . 53 ALA HB . 15549 1 641 . 1 1 53 53 ALA HB2 H 1 1.506 0.020 . 1 . . . . 53 ALA HB . 15549 1 642 . 1 1 53 53 ALA HB3 H 1 1.506 0.020 . 1 . . . . 53 ALA HB . 15549 1 643 . 1 1 53 53 ALA C C 13 179.364 0.400 . 1 . . . . 53 ALA C . 15549 1 644 . 1 1 53 53 ALA CA C 13 54.917 0.400 . 1 . . . . 53 ALA CA . 15549 1 645 . 1 1 53 53 ALA CB C 13 19.263 0.400 . 1 . . . . 53 ALA CB . 15549 1 646 . 1 1 53 53 ALA N N 15 120.028 0.400 . 1 . . . . 53 ALA N . 15549 1 647 . 1 1 54 54 LYS H H 1 8.777 0.020 . 1 . . . . 54 LYS H . 15549 1 648 . 1 1 54 54 LYS HA H 1 4.650 0.020 . 1 . . . . 54 LYS HA . 15549 1 649 . 1 1 54 54 LYS HB2 H 1 1.714 0.020 . 2 . . . . 54 LYS HB2 . 15549 1 650 . 1 1 54 54 LYS HB3 H 1 2.008 0.020 . 2 . . . . 54 LYS HB3 . 15549 1 651 . 1 1 54 54 LYS HD2 H 1 1.180 0.020 . 2 . . . . 54 LYS HD2 . 15549 1 652 . 1 1 54 54 LYS HD3 H 1 0.522 0.020 . 2 . . . . 54 LYS HD3 . 15549 1 653 . 1 1 54 54 LYS HE2 H 1 2.747 0.020 . 2 . . . . 54 LYS HE2 . 15549 1 654 . 1 1 54 54 LYS HE3 H 1 2.728 0.020 . 2 . . . . 54 LYS HE3 . 15549 1 655 . 1 1 54 54 LYS HG2 H 1 1.353 0.020 . 2 . . . . 54 LYS HG2 . 15549 1 656 . 1 1 54 54 LYS HG3 H 1 1.242 0.020 . 2 . . . . 54 LYS HG3 . 15549 1 657 . 1 1 54 54 LYS C C 13 181.348 0.400 . 1 . . . . 54 LYS C . 15549 1 658 . 1 1 54 54 LYS CA C 13 58.895 0.400 . 1 . . . . 54 LYS CA . 15549 1 659 . 1 1 54 54 LYS CB C 13 32.080 0.400 . 1 . . . . 54 LYS CB . 15549 1 660 . 1 1 54 54 LYS CD C 13 29.131 0.400 . 1 . . . . 54 LYS CD . 15549 1 661 . 1 1 54 54 LYS CE C 13 42.340 0.400 . 1 . . . . 54 LYS CE . 15549 1 662 . 1 1 54 54 LYS CG C 13 25.761 0.400 . 1 . . . . 54 LYS CG . 15549 1 663 . 1 1 54 54 LYS N N 15 122.964 0.400 . 1 . . . . 54 LYS N . 15549 1 664 . 1 1 55 55 ARG H H 1 8.307 0.020 . 1 . . . . 55 ARG H . 15549 1 665 . 1 1 55 55 ARG HA H 1 4.130 0.020 . 1 . . . . 55 ARG HA . 15549 1 666 . 1 1 55 55 ARG HB2 H 1 2.061 0.020 . 2 . . . . 55 ARG HB2 . 15549 1 667 . 1 1 55 55 ARG HB3 H 1 2.063 0.020 . 2 . . . . 55 ARG HB3 . 15549 1 668 . 1 1 55 55 ARG HD2 H 1 3.272 0.020 . 2 . . . . 55 ARG HD2 . 15549 1 669 . 1 1 55 55 ARG HD3 H 1 3.270 0.020 . 2 . . . . 55 ARG HD3 . 15549 1 670 . 1 1 55 55 ARG HE H 1 7.316 0.020 . 1 . . . . 55 ARG HE . 15549 1 671 . 1 1 55 55 ARG HG2 H 1 1.838 0.020 . 2 . . . . 55 ARG HG2 . 15549 1 672 . 1 1 55 55 ARG HG3 H 1 1.747 0.020 . 2 . . . . 55 ARG HG3 . 15549 1 673 . 1 1 55 55 ARG C C 13 178.317 0.400 . 1 . . . . 55 ARG C . 15549 1 674 . 1 1 55 55 ARG CA C 13 59.512 0.400 . 1 . . . . 55 ARG CA . 15549 1 675 . 1 1 55 55 ARG CB C 13 29.839 0.400 . 1 . . . . 55 ARG CB . 15549 1 676 . 1 1 55 55 ARG CD C 13 43.460 0.400 . 1 . . . . 55 ARG CD . 15549 1 677 . 1 1 55 55 ARG CG C 13 27.549 0.400 . 1 . . . . 55 ARG CG . 15549 1 678 . 1 1 55 55 ARG N N 15 123.491 0.400 . 1 . . . . 55 ARG N . 15549 1 679 . 1 1 55 55 ARG NE N 15 84.756 0.400 . 1 . . . . 55 ARG NE . 15549 1 680 . 1 1 56 56 ARG H H 1 7.575 0.020 . 1 . . . . 56 ARG H . 15549 1 681 . 1 1 56 56 ARG HA H 1 4.275 0.020 . 1 . . . . 56 ARG HA . 15549 1 682 . 1 1 56 56 ARG HB2 H 1 2.283 0.020 . 2 . . . . 56 ARG HB2 . 15549 1 683 . 1 1 56 56 ARG HB3 H 1 1.616 0.020 . 2 . . . . 56 ARG HB3 . 15549 1 684 . 1 1 56 56 ARG HD2 H 1 3.157 0.020 . 2 . . . . 56 ARG HD2 . 15549 1 685 . 1 1 56 56 ARG HD3 H 1 3.050 0.020 . 2 . . . . 56 ARG HD3 . 15549 1 686 . 1 1 56 56 ARG HE H 1 7.339 0.020 . 1 . . . . 56 ARG HE . 15549 1 687 . 1 1 56 56 ARG HG2 H 1 1.788 0.020 . 2 . . . . 56 ARG HG2 . 15549 1 688 . 1 1 56 56 ARG HG3 H 1 1.965 0.020 . 2 . . . . 56 ARG HG3 . 15549 1 689 . 1 1 56 56 ARG C C 13 174.497 0.400 . 1 . . . . 56 ARG C . 15549 1 690 . 1 1 56 56 ARG CA C 13 56.451 0.400 . 1 . . . . 56 ARG CA . 15549 1 691 . 1 1 56 56 ARG CB C 13 31.469 0.400 . 1 . . . . 56 ARG CB . 15549 1 692 . 1 1 56 56 ARG CD C 13 43.956 0.400 . 1 . . . . 56 ARG CD . 15549 1 693 . 1 1 56 56 ARG CG C 13 27.786 0.400 . 1 . . . . 56 ARG CG . 15549 1 694 . 1 1 56 56 ARG N N 15 115.635 0.400 . 1 . . . . 56 ARG N . 15549 1 695 . 1 1 56 56 ARG NE N 15 84.325 0.400 . 1 . . . . 56 ARG NE . 15549 1 696 . 1 1 57 57 LYS H H 1 7.949 0.020 . 1 . . . . 57 LYS H . 15549 1 697 . 1 1 57 57 LYS HA H 1 4.093 0.020 . 1 . . . . 57 LYS HA . 15549 1 698 . 1 1 57 57 LYS HB2 H 1 2.139 0.020 . 2 . . . . 57 LYS HB2 . 15549 1 699 . 1 1 57 57 LYS HB3 H 1 1.935 0.020 . 2 . . . . 57 LYS HB3 . 15549 1 700 . 1 1 57 57 LYS HD2 H 1 1.729 0.020 . 2 . . . . 57 LYS HD2 . 15549 1 701 . 1 1 57 57 LYS HD3 H 1 1.671 0.020 . 2 . . . . 57 LYS HD3 . 15549 1 702 . 1 1 57 57 LYS HE2 H 1 3.022 0.020 . 2 . . . . 57 LYS HE2 . 15549 1 703 . 1 1 57 57 LYS HE3 H 1 3.022 0.020 . 2 . . . . 57 LYS HE3 . 15549 1 704 . 1 1 57 57 LYS HG2 H 1 1.362 0.020 . 2 . . . . 57 LYS HG2 . 15549 1 705 . 1 1 57 57 LYS HG3 H 1 1.363 0.020 . 2 . . . . 57 LYS HG3 . 15549 1 706 . 1 1 57 57 LYS C C 13 175.087 0.400 . 1 . . . . 57 LYS C . 15549 1 707 . 1 1 57 57 LYS CA C 13 57.512 0.400 . 1 . . . . 57 LYS CA . 15549 1 708 . 1 1 57 57 LYS CB C 13 28.529 0.400 . 1 . . . . 57 LYS CB . 15549 1 709 . 1 1 57 57 LYS CD C 13 29.120 0.400 . 1 . . . . 57 LYS CD . 15549 1 710 . 1 1 57 57 LYS CE C 13 42.282 0.400 . 1 . . . . 57 LYS CE . 15549 1 711 . 1 1 57 57 LYS CG C 13 25.109 0.400 . 1 . . . . 57 LYS CG . 15549 1 712 . 1 1 57 57 LYS N N 15 113.671 0.400 . 1 . . . . 57 LYS N . 15549 1 713 . 1 1 58 58 ILE H H 1 8.429 0.020 . 1 . . . . 58 ILE H . 15549 1 714 . 1 1 58 58 ILE HA H 1 4.081 0.020 . 1 . . . . 58 ILE HA . 15549 1 715 . 1 1 58 58 ILE HB H 1 1.770 0.020 . 1 . . . . 58 ILE HB . 15549 1 716 . 1 1 58 58 ILE HD11 H 1 0.829 0.020 . 1 . . . . 58 ILE HD1 . 15549 1 717 . 1 1 58 58 ILE HD12 H 1 0.829 0.020 . 1 . . . . 58 ILE HD1 . 15549 1 718 . 1 1 58 58 ILE HD13 H 1 0.829 0.020 . 1 . . . . 58 ILE HD1 . 15549 1 719 . 1 1 58 58 ILE HG12 H 1 1.544 0.020 . 2 . . . . 58 ILE HG12 . 15549 1 720 . 1 1 58 58 ILE HG13 H 1 1.180 0.020 . 2 . . . . 58 ILE HG13 . 15549 1 721 . 1 1 58 58 ILE HG21 H 1 0.947 0.020 . 1 . . . . 58 ILE HG2 . 15549 1 722 . 1 1 58 58 ILE HG22 H 1 0.947 0.020 . 1 . . . . 58 ILE HG2 . 15549 1 723 . 1 1 58 58 ILE HG23 H 1 0.947 0.020 . 1 . . . . 58 ILE HG2 . 15549 1 724 . 1 1 58 58 ILE C C 13 177.459 0.400 . 1 . . . . 58 ILE C . 15549 1 725 . 1 1 58 58 ILE CA C 13 62.813 0.400 . 1 . . . . 58 ILE CA . 15549 1 726 . 1 1 58 58 ILE CB C 13 39.434 0.400 . 1 . . . . 58 ILE CB . 15549 1 727 . 1 1 58 58 ILE CD1 C 13 13.106 0.400 . 1 . . . . 58 ILE CD1 . 15549 1 728 . 1 1 58 58 ILE CG1 C 13 28.361 0.400 . 1 . . . . 58 ILE CG1 . 15549 1 729 . 1 1 58 58 ILE CG2 C 13 17.189 0.400 . 1 . . . . 58 ILE CG2 . 15549 1 730 . 1 1 58 58 ILE N N 15 116.683 0.400 . 1 . . . . 58 ILE N . 15549 1 731 . 1 1 59 59 VAL H H 1 6.901 0.020 . 1 . . . . 59 VAL H . 15549 1 732 . 1 1 59 59 VAL HA H 1 5.661 0.020 . 1 . . . . 59 VAL HA . 15549 1 733 . 1 1 59 59 VAL HB H 1 2.218 0.020 . 1 . . . . 59 VAL HB . 15549 1 734 . 1 1 59 59 VAL HG11 H 1 0.790 0.020 . 2 . . . . 59 VAL HG1 . 15549 1 735 . 1 1 59 59 VAL HG12 H 1 0.790 0.020 . 2 . . . . 59 VAL HG1 . 15549 1 736 . 1 1 59 59 VAL HG13 H 1 0.790 0.020 . 2 . . . . 59 VAL HG1 . 15549 1 737 . 1 1 59 59 VAL HG21 H 1 0.664 0.020 . 2 . . . . 59 VAL HG2 . 15549 1 738 . 1 1 59 59 VAL HG22 H 1 0.664 0.020 . 2 . . . . 59 VAL HG2 . 15549 1 739 . 1 1 59 59 VAL HG23 H 1 0.664 0.020 . 2 . . . . 59 VAL HG2 . 15549 1 740 . 1 1 59 59 VAL C C 13 175.037 0.400 . 1 . . . . 59 VAL C . 15549 1 741 . 1 1 59 59 VAL CA C 13 57.148 0.400 . 1 . . . . 59 VAL CA . 15549 1 742 . 1 1 59 59 VAL CB C 13 35.530 0.400 . 1 . . . . 59 VAL CB . 15549 1 743 . 1 1 59 59 VAL CG1 C 13 21.300 0.400 . 1 . . . . 59 VAL CG1 . 15549 1 744 . 1 1 59 59 VAL CG2 C 13 18.700 0.400 . 1 . . . . 59 VAL CG2 . 15549 1 745 . 1 1 59 59 VAL N N 15 106.671 0.400 . 1 . . . . 59 VAL N . 15549 1 746 . 1 1 60 60 THR H H 1 8.946 0.020 . 1 . . . . 60 THR H . 15549 1 747 . 1 1 60 60 THR HA H 1 4.289 0.020 . 1 . . . . 60 THR HA . 15549 1 748 . 1 1 60 60 THR HB H 1 3.917 0.020 . 1 . . . . 60 THR HB . 15549 1 749 . 1 1 60 60 THR HG21 H 1 1.118 0.020 . 1 . . . . 60 THR HG2 . 15549 1 750 . 1 1 60 60 THR HG22 H 1 1.118 0.020 . 1 . . . . 60 THR HG2 . 15549 1 751 . 1 1 60 60 THR HG23 H 1 1.118 0.020 . 1 . . . . 60 THR HG2 . 15549 1 752 . 1 1 60 60 THR C C 13 169.545 0.400 . 1 . . . . 60 THR C . 15549 1 753 . 1 1 60 60 THR CA C 13 61.465 0.400 . 1 . . . . 60 THR CA . 15549 1 754 . 1 1 60 60 THR CB C 13 69.906 0.400 . 1 . . . . 60 THR CB . 15549 1 755 . 1 1 60 60 THR CG2 C 13 19.600 0.400 . 1 . . . . 60 THR CG2 . 15549 1 756 . 1 1 60 60 THR N N 15 112.958 0.400 . 1 . . . . 60 THR N . 15549 1 757 . 1 1 61 61 TYR H H 1 6.939 0.020 . 1 . . . . 61 TYR H . 15549 1 758 . 1 1 61 61 TYR HA H 1 5.051 0.020 . 1 . . . . 61 TYR HA . 15549 1 759 . 1 1 61 61 TYR HB2 H 1 3.464 0.020 . 2 . . . . 61 TYR HB2 . 15549 1 760 . 1 1 61 61 TYR HB3 H 1 2.770 0.020 . 2 . . . . 61 TYR HB3 . 15549 1 761 . 1 1 61 61 TYR HD1 H 1 6.639 0.020 . 1 . . . . 61 TYR HD1 . 15549 1 762 . 1 1 61 61 TYR HD2 H 1 6.640 0.020 . 1 . . . . 61 TYR HD2 . 15549 1 763 . 1 1 61 61 TYR HE1 H 1 6.423 0.020 . 1 . . . . 61 TYR HE1 . 15549 1 764 . 1 1 61 61 TYR HE2 H 1 6.423 0.020 . 1 . . . . 61 TYR HE2 . 15549 1 765 . 1 1 61 61 TYR CA C 13 55.168 0.400 . 1 . . . . 61 TYR CA . 15549 1 766 . 1 1 61 61 TYR CB C 13 37.160 0.400 . 1 . . . . 61 TYR CB . 15549 1 767 . 1 1 61 61 TYR CD1 C 13 133.855 0.400 . 1 . . . . 61 TYR CD1 . 15549 1 768 . 1 1 61 61 TYR CD2 C 13 133.906 0.400 . 1 . . . . 61 TYR CD2 . 15549 1 769 . 1 1 61 61 TYR CE1 C 13 118.359 0.400 . 1 . . . . 61 TYR CE1 . 15549 1 770 . 1 1 61 61 TYR CE2 C 13 118.401 0.400 . 1 . . . . 61 TYR CE2 . 15549 1 771 . 1 1 61 61 TYR N N 15 118.981 0.400 . 1 . . . . 61 TYR N . 15549 1 772 . 1 1 62 62 PRO HA H 1 4.574 0.020 . 1 . . . . 62 PRO HA . 15549 1 773 . 1 1 62 62 PRO HB2 H 1 2.269 0.020 . 2 . . . . 62 PRO HB2 . 15549 1 774 . 1 1 62 62 PRO HB3 H 1 1.999 0.020 . 2 . . . . 62 PRO HB3 . 15549 1 775 . 1 1 62 62 PRO HD2 H 1 3.986 0.020 . 2 . . . . 62 PRO HD2 . 15549 1 776 . 1 1 62 62 PRO HD3 H 1 3.786 0.020 . 2 . . . . 62 PRO HD3 . 15549 1 777 . 1 1 62 62 PRO HG2 H 1 2.212 0.020 . 2 . . . . 62 PRO HG2 . 15549 1 778 . 1 1 62 62 PRO HG3 H 1 2.136 0.020 . 2 . . . . 62 PRO HG3 . 15549 1 779 . 1 1 62 62 PRO C C 13 177.198 0.400 . 1 . . . . 62 PRO C . 15549 1 780 . 1 1 62 62 PRO CA C 13 62.599 0.400 . 1 . . . . 62 PRO CA . 15549 1 781 . 1 1 62 62 PRO CB C 13 31.914 0.400 . 1 . . . . 62 PRO CB . 15549 1 782 . 1 1 62 62 PRO CD C 13 50.516 0.400 . 1 . . . . 62 PRO CD . 15549 1 783 . 1 1 62 62 PRO CG C 13 27.514 0.400 . 1 . . . . 62 PRO CG . 15549 1 784 . 1 1 63 63 GLY H H 1 8.200 0.020 . 1 . . . . 63 GLY H . 15549 1 785 . 1 1 63 63 GLY HA2 H 1 3.721 0.020 . 2 . . . . 63 GLY HA2 . 15549 1 786 . 1 1 63 63 GLY HA3 H 1 4.054 0.020 . 2 . . . . 63 GLY HA3 . 15549 1 787 . 1 1 63 63 GLY C C 13 172.777 0.400 . 1 . . . . 63 GLY C . 15549 1 788 . 1 1 63 63 GLY CA C 13 45.222 0.400 . 1 . . . . 63 GLY CA . 15549 1 789 . 1 1 63 63 GLY N N 15 108.363 0.400 . 1 . . . . 63 GLY N . 15549 1 790 . 1 1 64 64 GLU H H 1 8.122 0.020 . 1 . . . . 64 GLU H . 15549 1 791 . 1 1 64 64 GLU HA H 1 4.573 0.020 . 1 . . . . 64 GLU HA . 15549 1 792 . 1 1 64 64 GLU HB2 H 1 2.022 0.020 . 2 . . . . 64 GLU HB2 . 15549 1 793 . 1 1 64 64 GLU HB3 H 1 1.841 0.020 . 2 . . . . 64 GLU HB3 . 15549 1 794 . 1 1 64 64 GLU HG2 H 1 2.238 0.020 . 2 . . . . 64 GLU HG2 . 15549 1 795 . 1 1 64 64 GLU HG3 H 1 2.204 0.020 . 2 . . . . 64 GLU HG3 . 15549 1 796 . 1 1 64 64 GLU C C 13 176.463 0.400 . 1 . . . . 64 GLU C . 15549 1 797 . 1 1 64 64 GLU CA C 13 56.092 0.400 . 1 . . . . 64 GLU CA . 15549 1 798 . 1 1 64 64 GLU CB C 13 31.261 0.400 . 1 . . . . 64 GLU CB . 15549 1 799 . 1 1 64 64 GLU CG C 13 35.710 0.400 . 1 . . . . 64 GLU CG . 15549 1 800 . 1 1 64 64 GLU N N 15 116.151 0.400 . 1 . . . . 64 GLU N . 15549 1 801 . 1 1 65 65 LEU H H 1 8.010 0.020 . 1 . . . . 65 LEU H . 15549 1 802 . 1 1 65 65 LEU HA H 1 4.182 0.020 . 1 . . . . 65 LEU HA . 15549 1 803 . 1 1 65 65 LEU HB2 H 1 1.445 0.020 . 2 . . . . 65 LEU HB2 . 15549 1 804 . 1 1 65 65 LEU HB3 H 1 1.276 0.020 . 2 . . . . 65 LEU HB3 . 15549 1 805 . 1 1 65 65 LEU HD11 H 1 0.564 0.020 . 2 . . . . 65 LEU HD1 . 15549 1 806 . 1 1 65 65 LEU HD12 H 1 0.564 0.020 . 2 . . . . 65 LEU HD1 . 15549 1 807 . 1 1 65 65 LEU HD13 H 1 0.564 0.020 . 2 . . . . 65 LEU HD1 . 15549 1 808 . 1 1 65 65 LEU HD21 H 1 0.573 0.020 . 2 . . . . 65 LEU HD2 . 15549 1 809 . 1 1 65 65 LEU HD22 H 1 0.573 0.020 . 2 . . . . 65 LEU HD2 . 15549 1 810 . 1 1 65 65 LEU HD23 H 1 0.573 0.020 . 2 . . . . 65 LEU HD2 . 15549 1 811 . 1 1 65 65 LEU HG H 1 1.310 0.020 . 1 . . . . 65 LEU HG . 15549 1 812 . 1 1 65 65 LEU C C 13 174.868 0.400 . 1 . . . . 65 LEU C . 15549 1 813 . 1 1 65 65 LEU CA C 13 54.592 0.400 . 1 . . . . 65 LEU CA . 15549 1 814 . 1 1 65 65 LEU CB C 13 42.962 0.400 . 1 . . . . 65 LEU CB . 15549 1 815 . 1 1 65 65 LEU CD1 C 13 23.860 0.400 . 1 . . . . 65 LEU CD1 . 15549 1 816 . 1 1 65 65 LEU CD2 C 13 24.548 0.400 . 1 . . . . 65 LEU CD2 . 15549 1 817 . 1 1 65 65 LEU CG C 13 26.621 0.400 . 1 . . . . 65 LEU CG . 15549 1 818 . 1 1 65 65 LEU N N 15 122.074 0.400 . 1 . . . . 65 LEU N . 15549 1 819 . 1 1 66 66 LEU H H 1 7.392 0.020 . 1 . . . . 66 LEU H . 15549 1 820 . 1 1 66 66 LEU HA H 1 4.312 0.020 . 1 . . . . 66 LEU HA . 15549 1 821 . 1 1 66 66 LEU HB2 H 1 1.077 0.020 . 2 . . . . 66 LEU HB2 . 15549 1 822 . 1 1 66 66 LEU HB3 H 1 1.088 0.020 . 2 . . . . 66 LEU HB3 . 15549 1 823 . 1 1 66 66 LEU HD11 H 1 0.351 0.020 . 2 . . . . 66 LEU HD1 . 15549 1 824 . 1 1 66 66 LEU HD12 H 1 0.351 0.020 . 2 . . . . 66 LEU HD1 . 15549 1 825 . 1 1 66 66 LEU HD13 H 1 0.351 0.020 . 2 . . . . 66 LEU HD1 . 15549 1 826 . 1 1 66 66 LEU HD21 H 1 0.150 0.020 . 2 . . . . 66 LEU HD2 . 15549 1 827 . 1 1 66 66 LEU HD22 H 1 0.150 0.020 . 2 . . . . 66 LEU HD2 . 15549 1 828 . 1 1 66 66 LEU HD23 H 1 0.150 0.020 . 2 . . . . 66 LEU HD2 . 15549 1 829 . 1 1 66 66 LEU HG H 1 1.001 0.020 . 1 . . . . 66 LEU HG . 15549 1 830 . 1 1 66 66 LEU CA C 13 53.622 0.400 . 1 . . . . 66 LEU CA . 15549 1 831 . 1 1 66 66 LEU CB C 13 42.634 0.400 . 1 . . . . 66 LEU CB . 15549 1 832 . 1 1 66 66 LEU CD1 C 13 22.293 0.400 . 1 . . . . 66 LEU CD1 . 15549 1 833 . 1 1 66 66 LEU CD2 C 13 25.472 0.400 . 1 . . . . 66 LEU CD2 . 15549 1 834 . 1 1 66 66 LEU CG C 13 26.265 0.400 . 1 . . . . 66 LEU CG . 15549 1 835 . 1 1 66 66 LEU N N 15 122.429 0.400 . 1 . . . . 66 LEU N . 15549 1 836 . 1 1 67 67 LEU HA H 1 4.469 0.020 . 1 . . . . 67 LEU HA . 15549 1 837 . 1 1 67 67 LEU HB2 H 1 1.493 0.020 . 2 . . . . 67 LEU HB2 . 15549 1 838 . 1 1 67 67 LEU HB3 H 1 1.618 0.020 . 2 . . . . 67 LEU HB3 . 15549 1 839 . 1 1 67 67 LEU HD11 H 1 0.903 0.020 . 2 . . . . 67 LEU HD1 . 15549 1 840 . 1 1 67 67 LEU HD12 H 1 0.903 0.020 . 2 . . . . 67 LEU HD1 . 15549 1 841 . 1 1 67 67 LEU HD13 H 1 0.903 0.020 . 2 . . . . 67 LEU HD1 . 15549 1 842 . 1 1 67 67 LEU HD21 H 1 0.875 0.020 . 2 . . . . 67 LEU HD2 . 15549 1 843 . 1 1 67 67 LEU HD22 H 1 0.875 0.020 . 2 . . . . 67 LEU HD2 . 15549 1 844 . 1 1 67 67 LEU HD23 H 1 0.875 0.020 . 2 . . . . 67 LEU HD2 . 15549 1 845 . 1 1 67 67 LEU C C 13 177.273 0.400 . 1 . . . . 67 LEU C . 15549 1 846 . 1 1 67 67 LEU CA C 13 54.129 0.400 . 1 . . . . 67 LEU CA . 15549 1 847 . 1 1 67 67 LEU CB C 13 43.374 0.400 . 1 . . . . 67 LEU CB . 15549 1 848 . 1 1 67 67 LEU CD1 C 13 25.199 0.400 . 1 . . . . 67 LEU CD1 . 15549 1 849 . 1 1 67 67 LEU CD2 C 13 23.374 0.400 . 1 . . . . 67 LEU CD2 . 15549 1 850 . 1 1 67 67 LEU CG C 13 26.657 0.400 . 1 . . . . 67 LEU CG . 15549 1 851 . 1 1 68 68 GLN H H 1 8.528 0.020 . 1 . . . . 68 GLN H . 15549 1 852 . 1 1 68 68 GLN HA H 1 3.959 0.020 . 1 . . . . 68 GLN HA . 15549 1 853 . 1 1 68 68 GLN HB2 H 1 1.744 0.020 . 2 . . . . 68 GLN HB2 . 15549 1 854 . 1 1 68 68 GLN HB3 H 1 1.740 0.020 . 2 . . . . 68 GLN HB3 . 15549 1 855 . 1 1 68 68 GLN HE21 H 1 7.231 0.020 . 2 . . . . 68 GLN HE21 . 15549 1 856 . 1 1 68 68 GLN HE22 H 1 6.731 0.020 . 2 . . . . 68 GLN HE22 . 15549 1 857 . 1 1 68 68 GLN HG2 H 1 1.952 0.020 . 2 . . . . 68 GLN HG2 . 15549 1 858 . 1 1 68 68 GLN HG3 H 1 1.956 0.020 . 2 . . . . 68 GLN HG3 . 15549 1 859 . 1 1 68 68 GLN CA C 13 57.060 0.400 . 1 . . . . 68 GLN CA . 15549 1 860 . 1 1 68 68 GLN CB C 13 28.060 0.400 . 1 . . . . 68 GLN CB . 15549 1 861 . 1 1 68 68 GLN CG C 13 33.213 0.400 . 1 . . . . 68 GLN CG . 15549 1 862 . 1 1 68 68 GLN N N 15 122.419 0.400 . 1 . . . . 68 GLN N . 15549 1 863 . 1 1 68 68 GLN NE2 N 15 110.933 0.400 . 1 . . . . 68 GLN NE2 . 15549 1 864 . 1 1 69 69 GLY H H 1 9.050 0.020 . 1 . . . . 69 GLY H . 15549 1 865 . 1 1 69 69 GLY HA2 H 1 3.633 0.020 . 2 . . . . 69 GLY HA2 . 15549 1 866 . 1 1 69 69 GLY HA3 H 1 4.195 0.020 . 2 . . . . 69 GLY HA3 . 15549 1 867 . 1 1 69 69 GLY C C 13 174.217 0.400 . 1 . . . . 69 GLY C . 15549 1 868 . 1 1 69 69 GLY CA C 13 45.493 0.400 . 1 . . . . 69 GLY CA . 15549 1 869 . 1 1 70 70 VAL H H 1 7.710 0.020 . 1 . . . . 70 VAL H . 15549 1 870 . 1 1 70 70 VAL HA H 1 3.841 0.020 . 1 . . . . 70 VAL HA . 15549 1 871 . 1 1 70 70 VAL HB H 1 1.671 0.020 . 1 . . . . 70 VAL HB . 15549 1 872 . 1 1 70 70 VAL HG11 H 1 0.762 0.020 . 2 . . . . 70 VAL HG1 . 15549 1 873 . 1 1 70 70 VAL HG12 H 1 0.762 0.020 . 2 . . . . 70 VAL HG1 . 15549 1 874 . 1 1 70 70 VAL HG13 H 1 0.762 0.020 . 2 . . . . 70 VAL HG1 . 15549 1 875 . 1 1 70 70 VAL HG21 H 1 0.524 0.020 . 2 . . . . 70 VAL HG2 . 15549 1 876 . 1 1 70 70 VAL HG22 H 1 0.524 0.020 . 2 . . . . 70 VAL HG2 . 15549 1 877 . 1 1 70 70 VAL HG23 H 1 0.524 0.020 . 2 . . . . 70 VAL HG2 . 15549 1 878 . 1 1 70 70 VAL C C 13 177.224 0.400 . 1 . . . . 70 VAL C . 15549 1 879 . 1 1 70 70 VAL CA C 13 63.666 0.400 . 1 . . . . 70 VAL CA . 15549 1 880 . 1 1 70 70 VAL CB C 13 32.803 0.400 . 1 . . . . 70 VAL CB . 15549 1 881 . 1 1 70 70 VAL CG1 C 13 20.768 0.400 . 1 . . . . 70 VAL CG1 . 15549 1 882 . 1 1 70 70 VAL CG2 C 13 20.289 0.400 . 1 . . . . 70 VAL CG2 . 15549 1 883 . 1 1 70 70 VAL N N 15 120.536 0.400 . 1 . . . . 70 VAL N . 15549 1 884 . 1 1 71 71 HIS H H 1 8.403 0.020 . 1 . . . . 71 HIS H . 15549 1 885 . 1 1 71 71 HIS HA H 1 4.931 0.020 . 1 . . . . 71 HIS HA . 15549 1 886 . 1 1 71 71 HIS HB2 H 1 3.384 0.020 . 2 . . . . 71 HIS HB2 . 15549 1 887 . 1 1 71 71 HIS HB3 H 1 2.840 0.020 . 2 . . . . 71 HIS HB3 . 15549 1 888 . 1 1 71 71 HIS HD2 H 1 7.050 0.020 . 1 . . . . 71 HIS HD2 . 15549 1 889 . 1 1 71 71 HIS C C 13 175.324 0.400 . 1 . . . . 71 HIS C . 15549 1 890 . 1 1 71 71 HIS CA C 13 56.086 0.400 . 1 . . . . 71 HIS CA . 15549 1 891 . 1 1 71 71 HIS CB C 13 30.412 0.400 . 1 . . . . 71 HIS CB . 15549 1 892 . 1 1 71 71 HIS CD2 C 13 117.977 0.400 . 1 . . . . 71 HIS CD2 . 15549 1 893 . 1 1 71 71 HIS N N 15 118.286 0.400 . 1 . . . . 71 HIS N . 15549 1 894 . 1 1 72 72 ASP H H 1 7.900 0.020 . 1 . . . . 72 ASP H . 15549 1 895 . 1 1 72 72 ASP HA H 1 4.371 0.020 . 1 . . . . 72 ASP HA . 15549 1 896 . 1 1 72 72 ASP HB2 H 1 2.692 0.020 . 2 . . . . 72 ASP HB2 . 15549 1 897 . 1 1 72 72 ASP HB3 H 1 2.692 0.020 . 2 . . . . 72 ASP HB3 . 15549 1 898 . 1 1 72 72 ASP C C 13 177.003 0.400 . 1 . . . . 72 ASP C . 15549 1 899 . 1 1 72 72 ASP CA C 13 57.350 0.400 . 1 . . . . 72 ASP CA . 15549 1 900 . 1 1 72 72 ASP CB C 13 40.471 0.400 . 1 . . . . 72 ASP CB . 15549 1 901 . 1 1 72 72 ASP N N 15 119.814 0.400 . 1 . . . . 72 ASP N . 15549 1 902 . 1 1 73 73 ASP H H 1 8.660 0.020 . 1 . . . . 73 ASP H . 15549 1 903 . 1 1 73 73 ASP HA H 1 4.879 0.020 . 1 . . . . 73 ASP HA . 15549 1 904 . 1 1 73 73 ASP HB2 H 1 2.654 0.020 . 2 . . . . 73 ASP HB2 . 15549 1 905 . 1 1 73 73 ASP HB3 H 1 2.817 0.020 . 2 . . . . 73 ASP HB3 . 15549 1 906 . 1 1 73 73 ASP C C 13 175.754 0.400 . 1 . . . . 73 ASP C . 15549 1 907 . 1 1 73 73 ASP CA C 13 53.919 0.400 . 1 . . . . 73 ASP CA . 15549 1 908 . 1 1 73 73 ASP CB C 13 40.972 0.400 . 1 . . . . 73 ASP CB . 15549 1 909 . 1 1 73 73 ASP N N 15 116.522 0.400 . 1 . . . . 73 ASP N . 15549 1 910 . 1 1 74 74 VAL H H 1 7.741 0.020 . 1 . . . . 74 VAL H . 15549 1 911 . 1 1 74 74 VAL HA H 1 3.942 0.020 . 1 . . . . 74 VAL HA . 15549 1 912 . 1 1 74 74 VAL HB H 1 2.194 0.020 . 1 . . . . 74 VAL HB . 15549 1 913 . 1 1 74 74 VAL HG11 H 1 1.087 0.020 . 2 . . . . 74 VAL HG1 . 15549 1 914 . 1 1 74 74 VAL HG12 H 1 1.087 0.020 . 2 . . . . 74 VAL HG1 . 15549 1 915 . 1 1 74 74 VAL HG13 H 1 1.087 0.020 . 2 . . . . 74 VAL HG1 . 15549 1 916 . 1 1 74 74 VAL HG21 H 1 0.992 0.020 . 2 . . . . 74 VAL HG2 . 15549 1 917 . 1 1 74 74 VAL HG22 H 1 0.992 0.020 . 2 . . . . 74 VAL HG2 . 15549 1 918 . 1 1 74 74 VAL HG23 H 1 0.992 0.020 . 2 . . . . 74 VAL HG2 . 15549 1 919 . 1 1 74 74 VAL C C 13 174.917 0.400 . 1 . . . . 74 VAL C . 15549 1 920 . 1 1 74 74 VAL CA C 13 63.347 0.400 . 1 . . . . 74 VAL CA . 15549 1 921 . 1 1 74 74 VAL CB C 13 32.650 0.400 . 1 . . . . 74 VAL CB . 15549 1 922 . 1 1 74 74 VAL CG1 C 13 22.622 0.400 . 1 . . . . 74 VAL CG1 . 15549 1 923 . 1 1 74 74 VAL CG2 C 13 21.930 0.400 . 1 . . . . 74 VAL CG2 . 15549 1 924 . 1 1 74 74 VAL N N 15 121.297 0.400 . 1 . . . . 74 VAL N . 15549 1 925 . 1 1 75 75 ASP H H 1 8.319 0.020 . 1 . . . . 75 ASP H . 15549 1 926 . 1 1 75 75 ASP HA H 1 4.780 0.020 . 1 . . . . 75 ASP HA . 15549 1 927 . 1 1 75 75 ASP HB2 H 1 2.390 0.020 . 2 . . . . 75 ASP HB2 . 15549 1 928 . 1 1 75 75 ASP HB3 H 1 2.608 0.020 . 2 . . . . 75 ASP HB3 . 15549 1 929 . 1 1 75 75 ASP C C 13 174.350 0.400 . 1 . . . . 75 ASP C . 15549 1 930 . 1 1 75 75 ASP CA C 13 54.809 0.400 . 1 . . . . 75 ASP CA . 15549 1 931 . 1 1 75 75 ASP CB C 13 42.020 0.400 . 1 . . . . 75 ASP CB . 15549 1 932 . 1 1 75 75 ASP N N 15 125.805 0.400 . 1 . . . . 75 ASP N . 15549 1 933 . 1 1 76 76 ILE H H 1 9.192 0.020 . 1 . . . . 76 ILE H . 15549 1 934 . 1 1 76 76 ILE HA H 1 4.562 0.020 . 1 . . . . 76 ILE HA . 15549 1 935 . 1 1 76 76 ILE HB H 1 2.204 0.020 . 1 . . . . 76 ILE HB . 15549 1 936 . 1 1 76 76 ILE HD11 H 1 0.756 0.020 . 1 . . . . 76 ILE HD1 . 15549 1 937 . 1 1 76 76 ILE HD12 H 1 0.756 0.020 . 1 . . . . 76 ILE HD1 . 15549 1 938 . 1 1 76 76 ILE HD13 H 1 0.756 0.020 . 1 . . . . 76 ILE HD1 . 15549 1 939 . 1 1 76 76 ILE HG12 H 1 1.482 0.020 . 2 . . . . 76 ILE HG12 . 15549 1 940 . 1 1 76 76 ILE HG13 H 1 1.271 0.020 . 2 . . . . 76 ILE HG13 . 15549 1 941 . 1 1 76 76 ILE HG21 H 1 0.782 0.020 . 1 . . . . 76 ILE HG2 . 15549 1 942 . 1 1 76 76 ILE HG22 H 1 0.782 0.020 . 1 . . . . 76 ILE HG2 . 15549 1 943 . 1 1 76 76 ILE HG23 H 1 0.782 0.020 . 1 . . . . 76 ILE HG2 . 15549 1 944 . 1 1 76 76 ILE C C 13 174.870 0.400 . 1 . . . . 76 ILE C . 15549 1 945 . 1 1 76 76 ILE CA C 13 60.171 0.400 . 1 . . . . 76 ILE CA . 15549 1 946 . 1 1 76 76 ILE CB C 13 37.293 0.400 . 1 . . . . 76 ILE CB . 15549 1 947 . 1 1 76 76 ILE CD1 C 13 13.897 0.400 . 1 . . . . 76 ILE CD1 . 15549 1 948 . 1 1 76 76 ILE CG1 C 13 27.343 0.400 . 1 . . . . 76 ILE CG1 . 15549 1 949 . 1 1 76 76 ILE CG2 C 13 17.987 0.400 . 1 . . . . 76 ILE CG2 . 15549 1 950 . 1 1 76 76 ILE N N 15 124.395 0.400 . 1 . . . . 76 ILE N . 15549 1 951 . 1 1 77 77 ILE H H 1 8.541 0.020 . 1 . . . . 77 ILE H . 15549 1 952 . 1 1 77 77 ILE HA H 1 4.533 0.020 . 1 . . . . 77 ILE HA . 15549 1 953 . 1 1 77 77 ILE HB H 1 1.645 0.020 . 1 . . . . 77 ILE HB . 15549 1 954 . 1 1 77 77 ILE HD11 H 1 0.800 0.020 . 1 . . . . 77 ILE HD1 . 15549 1 955 . 1 1 77 77 ILE HD12 H 1 0.800 0.020 . 1 . . . . 77 ILE HD1 . 15549 1 956 . 1 1 77 77 ILE HD13 H 1 0.800 0.020 . 1 . . . . 77 ILE HD1 . 15549 1 957 . 1 1 77 77 ILE HG12 H 1 1.514 0.020 . 2 . . . . 77 ILE HG12 . 15549 1 958 . 1 1 77 77 ILE HG13 H 1 0.968 0.020 . 2 . . . . 77 ILE HG13 . 15549 1 959 . 1 1 77 77 ILE HG21 H 1 0.734 0.020 . 1 . . . . 77 ILE HG2 . 15549 1 960 . 1 1 77 77 ILE HG22 H 1 0.734 0.020 . 1 . . . . 77 ILE HG2 . 15549 1 961 . 1 1 77 77 ILE HG23 H 1 0.734 0.020 . 1 . . . . 77 ILE HG2 . 15549 1 962 . 1 1 77 77 ILE C C 13 175.902 0.400 . 1 . . . . 77 ILE C . 15549 1 963 . 1 1 77 77 ILE CA C 13 60.191 0.400 . 1 . . . . 77 ILE CA . 15549 1 964 . 1 1 77 77 ILE CB C 13 40.261 0.400 . 1 . . . . 77 ILE CB . 15549 1 965 . 1 1 77 77 ILE CD1 C 13 13.635 0.400 . 1 . . . . 77 ILE CD1 . 15549 1 966 . 1 1 77 77 ILE CG1 C 13 28.085 0.400 . 1 . . . . 77 ILE CG1 . 15549 1 967 . 1 1 77 77 ILE CG2 C 13 17.964 0.400 . 1 . . . . 77 ILE CG2 . 15549 1 968 . 1 1 77 77 ILE N N 15 126.286 0.400 . 1 . . . . 77 ILE N . 15549 1 969 . 1 1 78 78 LEU H H 1 8.831 0.020 . 1 . . . . 78 LEU H . 15549 1 970 . 1 1 78 78 LEU HA H 1 4.551 0.020 . 1 . . . . 78 LEU HA . 15549 1 971 . 1 1 78 78 LEU HB2 H 1 2.166 0.020 . 2 . . . . 78 LEU HB2 . 15549 1 972 . 1 1 78 78 LEU HB3 H 1 1.155 0.020 . 2 . . . . 78 LEU HB3 . 15549 1 973 . 1 1 78 78 LEU HD11 H 1 1.059 0.020 . 2 . . . . 78 LEU HD1 . 15549 1 974 . 1 1 78 78 LEU HD12 H 1 1.059 0.020 . 2 . . . . 78 LEU HD1 . 15549 1 975 . 1 1 78 78 LEU HD13 H 1 1.059 0.020 . 2 . . . . 78 LEU HD1 . 15549 1 976 . 1 1 78 78 LEU HD21 H 1 0.849 0.020 . 2 . . . . 78 LEU HD2 . 15549 1 977 . 1 1 78 78 LEU HD22 H 1 0.849 0.020 . 2 . . . . 78 LEU HD2 . 15549 1 978 . 1 1 78 78 LEU HD23 H 1 0.849 0.020 . 2 . . . . 78 LEU HD2 . 15549 1 979 . 1 1 78 78 LEU HG H 1 1.467 0.020 . 1 . . . . 78 LEU HG . 15549 1 980 . 1 1 78 78 LEU C C 13 175.200 0.400 . 1 . . . . 78 LEU C . 15549 1 981 . 1 1 78 78 LEU CA C 13 54.597 0.400 . 1 . . . . 78 LEU CA . 15549 1 982 . 1 1 78 78 LEU CB C 13 43.263 0.400 . 1 . . . . 78 LEU CB . 15549 1 983 . 1 1 78 78 LEU CD1 C 13 24.845 0.400 . 1 . . . . 78 LEU CD1 . 15549 1 984 . 1 1 78 78 LEU CD2 C 13 26.767 0.400 . 1 . . . . 78 LEU CD2 . 15549 1 985 . 1 1 78 78 LEU CG C 13 27.448 0.400 . 1 . . . . 78 LEU CG . 15549 1 986 . 1 1 78 78 LEU N N 15 127.736 0.400 . 1 . . . . 78 LEU N . 15549 1 987 . 1 1 79 79 LEU H H 1 8.611 0.020 . 1 . . . . 79 LEU H . 15549 1 988 . 1 1 79 79 LEU HA H 1 4.325 0.020 . 1 . . . . 79 LEU HA . 15549 1 989 . 1 1 79 79 LEU HB2 H 1 1.407 0.020 . 2 . . . . 79 LEU HB2 . 15549 1 990 . 1 1 79 79 LEU HB3 H 1 1.652 0.020 . 2 . . . . 79 LEU HB3 . 15549 1 991 . 1 1 79 79 LEU HD11 H 1 0.624 0.020 . 2 . . . . 79 LEU HD1 . 15549 1 992 . 1 1 79 79 LEU HD12 H 1 0.624 0.020 . 2 . . . . 79 LEU HD1 . 15549 1 993 . 1 1 79 79 LEU HD13 H 1 0.624 0.020 . 2 . . . . 79 LEU HD1 . 15549 1 994 . 1 1 79 79 LEU HD21 H 1 0.747 0.020 . 2 . . . . 79 LEU HD2 . 15549 1 995 . 1 1 79 79 LEU HD22 H 1 0.747 0.020 . 2 . . . . 79 LEU HD2 . 15549 1 996 . 1 1 79 79 LEU HD23 H 1 0.747 0.020 . 2 . . . . 79 LEU HD2 . 15549 1 997 . 1 1 79 79 LEU HG H 1 1.370 0.020 . 1 . . . . 79 LEU HG . 15549 1 998 . 1 1 79 79 LEU C C 13 177.678 0.400 . 1 . . . . 79 LEU C . 15549 1 999 . 1 1 79 79 LEU CA C 13 55.793 0.400 . 1 . . . . 79 LEU CA . 15549 1 1000 . 1 1 79 79 LEU CB C 13 42.384 0.400 . 1 . . . . 79 LEU CB . 15549 1 1001 . 1 1 79 79 LEU CD1 C 13 25.232 0.400 . 1 . . . . 79 LEU CD1 . 15549 1 1002 . 1 1 79 79 LEU CD2 C 13 22.308 0.400 . 1 . . . . 79 LEU CD2 . 15549 1 1003 . 1 1 79 79 LEU CG C 13 26.701 0.400 . 1 . . . . 79 LEU CG . 15549 1 1004 . 1 1 79 79 LEU N N 15 127.218 0.400 . 1 . . . . 79 LEU N . 15549 1 1005 . 1 1 80 80 GLN H H 1 7.509 0.020 . 1 . . . . 80 GLN H . 15549 1 1006 . 1 1 80 80 GLN HA H 1 4.536 0.020 . 1 . . . . 80 GLN HA . 15549 1 1007 . 1 1 80 80 GLN HB2 H 1 2.129 0.020 . 2 . . . . 80 GLN HB2 . 15549 1 1008 . 1 1 80 80 GLN HB3 H 1 1.957 0.020 . 2 . . . . 80 GLN HB3 . 15549 1 1009 . 1 1 80 80 GLN HE21 H 1 7.333 0.020 . 2 . . . . 80 GLN HE21 . 15549 1 1010 . 1 1 80 80 GLN HE22 H 1 6.831 0.020 . 2 . . . . 80 GLN HE22 . 15549 1 1011 . 1 1 80 80 GLN HG2 H 1 2.338 0.020 . 2 . . . . 80 GLN HG2 . 15549 1 1012 . 1 1 80 80 GLN HG3 H 1 2.328 0.020 . 2 . . . . 80 GLN HG3 . 15549 1 1013 . 1 1 80 80 GLN C C 13 173.420 0.400 . 1 . . . . 80 GLN C . 15549 1 1014 . 1 1 80 80 GLN CA C 13 55.022 0.400 . 1 . . . . 80 GLN CA . 15549 1 1015 . 1 1 80 80 GLN CB C 13 31.359 0.400 . 1 . . . . 80 GLN CB . 15549 1 1016 . 1 1 80 80 GLN CG C 13 33.646 0.400 . 1 . . . . 80 GLN CG . 15549 1 1017 . 1 1 80 80 GLN N N 15 117.434 0.400 . 1 . . . . 80 GLN N . 15549 1 1018 . 1 1 80 80 GLN NE2 N 15 111.098 0.400 . 1 . . . . 80 GLN NE2 . 15549 1 1019 . 1 1 81 81 ASP H H 1 8.411 0.020 . 1 . . . . 81 ASP H . 15549 1 1020 . 1 1 81 81 ASP HA H 1 4.753 0.020 . 1 . . . . 81 ASP HA . 15549 1 1021 . 1 1 81 81 ASP HB2 H 1 2.590 0.020 . 2 . . . . 81 ASP HB2 . 15549 1 1022 . 1 1 81 81 ASP HB3 H 1 2.825 0.020 . 2 . . . . 81 ASP HB3 . 15549 1 1023 . 1 1 81 81 ASP C C 13 176.304 0.400 . 1 . . . . 81 ASP C . 15549 1 1024 . 1 1 81 81 ASP CA C 13 53.186 0.400 . 1 . . . . 81 ASP CA . 15549 1 1025 . 1 1 81 81 ASP CB C 13 41.336 0.400 . 1 . . . . 81 ASP CB . 15549 1 1026 . 1 1 81 81 ASP N N 15 121.921 0.400 . 1 . . . . 81 ASP N . 15549 1 1027 . 1 1 82 82 LEU H H 1 8.183 0.020 . 1 . . . . 82 LEU H . 15549 1 1028 . 1 1 82 82 LEU HA H 1 4.284 0.020 . 1 . . . . 82 LEU HA . 15549 1 1029 . 1 1 82 82 LEU HB2 H 1 1.596 0.020 . 2 . . . . 82 LEU HB2 . 15549 1 1030 . 1 1 82 82 LEU HB3 H 1 1.597 0.020 . 2 . . . . 82 LEU HB3 . 15549 1 1031 . 1 1 82 82 LEU HD11 H 1 0.840 0.020 . 2 . . . . 82 LEU HD1 . 15549 1 1032 . 1 1 82 82 LEU HD12 H 1 0.840 0.020 . 2 . . . . 82 LEU HD1 . 15549 1 1033 . 1 1 82 82 LEU HD13 H 1 0.840 0.020 . 2 . . . . 82 LEU HD1 . 15549 1 1034 . 1 1 82 82 LEU HD21 H 1 0.897 0.020 . 2 . . . . 82 LEU HD2 . 15549 1 1035 . 1 1 82 82 LEU HD22 H 1 0.897 0.020 . 2 . . . . 82 LEU HD2 . 15549 1 1036 . 1 1 82 82 LEU HD23 H 1 0.897 0.020 . 2 . . . . 82 LEU HD2 . 15549 1 1037 . 1 1 82 82 LEU HG H 1 1.623 0.020 . 1 . . . . 82 LEU HG . 15549 1 1038 . 1 1 82 82 LEU C C 13 177.174 0.400 . 1 . . . . 82 LEU C . 15549 1 1039 . 1 1 82 82 LEU CA C 13 55.256 0.400 . 1 . . . . 82 LEU CA . 15549 1 1040 . 1 1 82 82 LEU CB C 13 42.314 0.400 . 1 . . . . 82 LEU CB . 15549 1 1041 . 1 1 82 82 LEU CD1 C 13 23.221 0.400 . 1 . . . . 82 LEU CD1 . 15549 1 1042 . 1 1 82 82 LEU CD2 C 13 25.174 0.400 . 1 . . . . 82 LEU CD2 . 15549 1 1043 . 1 1 82 82 LEU CG C 13 27.031 0.400 . 1 . . . . 82 LEU CG . 15549 1 1044 . 1 1 82 82 LEU N N 15 122.190 0.400 . 1 . . . . 82 LEU N . 15549 1 1045 . 1 1 83 83 GLU H H 1 8.214 0.020 . 1 . . . . 83 GLU H . 15549 1 1046 . 1 1 83 83 GLU HA H 1 4.157 0.020 . 1 . . . . 83 GLU HA . 15549 1 1047 . 1 1 83 83 GLU HB2 H 1 1.865 0.020 . 2 . . . . 83 GLU HB2 . 15549 1 1048 . 1 1 83 83 GLU HB3 H 1 1.854 0.020 . 2 . . . . 83 GLU HB3 . 15549 1 1049 . 1 1 83 83 GLU HG2 H 1 2.175 0.020 . 2 . . . . 83 GLU HG2 . 15549 1 1050 . 1 1 83 83 GLU HG3 H 1 2.149 0.020 . 2 . . . . 83 GLU HG3 . 15549 1 1051 . 1 1 83 83 GLU C C 13 176.222 0.400 . 1 . . . . 83 GLU C . 15549 1 1052 . 1 1 83 83 GLU CA C 13 56.499 0.400 . 1 . . . . 83 GLU CA . 15549 1 1053 . 1 1 83 83 GLU CB C 13 30.039 0.400 . 1 . . . . 83 GLU CB . 15549 1 1054 . 1 1 83 83 GLU CG C 13 35.595 0.400 . 1 . . . . 83 GLU CG . 15549 1 1055 . 1 1 83 83 GLU N N 15 120.088 0.400 . 1 . . . . 83 GLU N . 15549 1 1056 . 1 1 84 84 HIS H H 1 8.370 0.020 . 1 . . . . 84 HIS H . 15549 1 1057 . 1 1 84 84 HIS HA H 1 4.606 0.020 . 1 . . . . 84 HIS HA . 15549 1 1058 . 1 1 84 84 HIS HB2 H 1 3.059 0.020 . 2 . . . . 84 HIS HB2 . 15549 1 1059 . 1 1 84 84 HIS HB3 H 1 3.153 0.020 . 2 . . . . 84 HIS HB3 . 15549 1 1060 . 1 1 84 84 HIS CA C 13 55.310 0.400 . 1 . . . . 84 HIS CA . 15549 1 1061 . 1 1 84 84 HIS CB C 13 28.932 0.400 . 1 . . . . 84 HIS CB . 15549 1 1062 . 1 1 84 84 HIS N N 15 118.992 0.400 . 1 . . . . 84 HIS N . 15549 1 1063 . 1 1 85 85 HIS H H 1 8.469 0.020 . 1 . . . . 85 HIS H . 15549 1 1064 . 1 1 85 85 HIS N N 15 119.009 0.400 . 1 . . . . 85 HIS N . 15549 1 stop_ save_