data_18017 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18017 _Entry.Title ; The solution structure of RRM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-23 _Entry.Accession_date 2011-10-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Zhenwei Song . . . 18017 2 Peiwen Wu . . . 18017 3 Jiahai Zhang . . . 18017 4 Jihui Wu . . . 18017 5 Yunyu Shi . . . 18017 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' . 18017 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 18017 RRM . 18017 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18017 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 18017 '15N chemical shifts' 94 18017 '1H chemical shifts' 642 18017 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-06 2011-10-23 update BMRB 'update entry citation' 18017 1 . . 2012-08-06 2011-10-23 original author 'original release' 18017 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LKZ 'BMRB Entry Tracking System' 18017 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18017 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22839758 _Citation.Full_citation . _Citation.Title 'Solution structure of the second RRM domain of RBM5 and its unusual binding characters for different RNA targets.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 33 _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 6667 _Citation.Page_last 6678 _Citation.Year 2012 _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 Zhenwei Song . . . 18017 1 2 Peiwen Wu . . . 18017 1 3 Peng Ji . . . 18017 1 4 Jiahai Zhang . . . 18017 1 5 Qingguo Gong . . . 18017 1 6 Jihui Wu . . . 18017 1 7 Yunyu Shi . . . 18017 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18017 _Assembly.ID 1 _Assembly.Name RRM _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RRM 1 $RRM A . yes native no no . . . 18017 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM _Entity.Sf_category entity _Entity.Sf_framecode RRM _Entity.Entry_ID 18017 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MGHHHHHHMDTIILRNIAPH TVVDSIMTALSPYASLAVNN IRLIKDKQTQQNRGFAFVQL SSAMDASQLLQILQSLHPPL KIDGKTIGVDFAKSA ; _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 95 _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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10518.233 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2LKZ . "Solution Structure Of The Second Rrm Domain Of Rbm5" . . . . . 100.00 95 100.00 100.00 8.33e-61 . . . . 18017 1 2 no REF XP_006511938 . "PREDICTED: RNA-binding protein 5 isoform X4 [Mus musculus]" . . . . . 72.63 568 100.00 100.00 3.47e-37 . . . . 18017 1 3 no REF XP_006511939 . "PREDICTED: RNA-binding protein 5 isoform X4 [Mus musculus]" . . . . . 72.63 568 100.00 100.00 3.47e-37 . . . . 18017 1 4 no REF XP_006712982 . "PREDICTED: RNA-binding protein 5 isoform X4 [Homo sapiens]" . . . . . 72.63 568 100.00 100.00 5.79e-37 . . . . 18017 1 5 no REF XP_012373044 . "PREDICTED: RNA-binding protein 5, partial [Octodon degus]" . . . . . 86.32 516 100.00 100.00 4.19e-46 . . . . 18017 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 . 18017 1 2 . GLY . 18017 1 3 . HIS . 18017 1 4 . HIS . 18017 1 5 . HIS . 18017 1 6 . HIS . 18017 1 7 . HIS . 18017 1 8 . HIS . 18017 1 9 . MET . 18017 1 10 . ASP . 18017 1 11 . THR . 18017 1 12 . ILE . 18017 1 13 . ILE . 18017 1 14 . LEU . 18017 1 15 . ARG . 18017 1 16 . ASN . 18017 1 17 . ILE . 18017 1 18 . ALA . 18017 1 19 . PRO . 18017 1 20 . HIS . 18017 1 21 . THR . 18017 1 22 . VAL . 18017 1 23 . VAL . 18017 1 24 . ASP . 18017 1 25 . SER . 18017 1 26 . ILE . 18017 1 27 . MET . 18017 1 28 . THR . 18017 1 29 . ALA . 18017 1 30 . LEU . 18017 1 31 . SER . 18017 1 32 . PRO . 18017 1 33 . TYR . 18017 1 34 . ALA . 18017 1 35 . SER . 18017 1 36 . LEU . 18017 1 37 . ALA . 18017 1 38 . VAL . 18017 1 39 . ASN . 18017 1 40 . ASN . 18017 1 41 . ILE . 18017 1 42 . ARG . 18017 1 43 . LEU . 18017 1 44 . ILE . 18017 1 45 . LYS . 18017 1 46 . ASP . 18017 1 47 . LYS . 18017 1 48 . GLN . 18017 1 49 . THR . 18017 1 50 . GLN . 18017 1 51 . GLN . 18017 1 52 . ASN . 18017 1 53 . ARG . 18017 1 54 . GLY . 18017 1 55 . PHE . 18017 1 56 . ALA . 18017 1 57 . PHE . 18017 1 58 . VAL . 18017 1 59 . GLN . 18017 1 60 . LEU . 18017 1 61 . SER . 18017 1 62 . SER . 18017 1 63 . ALA . 18017 1 64 . MET . 18017 1 65 . ASP . 18017 1 66 . ALA . 18017 1 67 . SER . 18017 1 68 . GLN . 18017 1 69 . LEU . 18017 1 70 . LEU . 18017 1 71 . GLN . 18017 1 72 . ILE . 18017 1 73 . LEU . 18017 1 74 . GLN . 18017 1 75 . SER . 18017 1 76 . LEU . 18017 1 77 . HIS . 18017 1 78 . PRO . 18017 1 79 . PRO . 18017 1 80 . LEU . 18017 1 81 . LYS . 18017 1 82 . ILE . 18017 1 83 . ASP . 18017 1 84 . GLY . 18017 1 85 . LYS . 18017 1 86 . THR . 18017 1 87 . ILE . 18017 1 88 . GLY . 18017 1 89 . VAL . 18017 1 90 . ASP . 18017 1 91 . PHE . 18017 1 92 . ALA . 18017 1 93 . LYS . 18017 1 94 . SER . 18017 1 95 . ALA . 18017 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 18017 1 . GLY 2 2 18017 1 . HIS 3 3 18017 1 . HIS 4 4 18017 1 . HIS 5 5 18017 1 . HIS 6 6 18017 1 . HIS 7 7 18017 1 . HIS 8 8 18017 1 . MET 9 9 18017 1 . ASP 10 10 18017 1 . THR 11 11 18017 1 . ILE 12 12 18017 1 . ILE 13 13 18017 1 . LEU 14 14 18017 1 . ARG 15 15 18017 1 . ASN 16 16 18017 1 . ILE 17 17 18017 1 . ALA 18 18 18017 1 . PRO 19 19 18017 1 . HIS 20 20 18017 1 . THR 21 21 18017 1 . VAL 22 22 18017 1 . VAL 23 23 18017 1 . ASP 24 24 18017 1 . SER 25 25 18017 1 . ILE 26 26 18017 1 . MET 27 27 18017 1 . THR 28 28 18017 1 . ALA 29 29 18017 1 . LEU 30 30 18017 1 . SER 31 31 18017 1 . PRO 32 32 18017 1 . TYR 33 33 18017 1 . ALA 34 34 18017 1 . SER 35 35 18017 1 . LEU 36 36 18017 1 . ALA 37 37 18017 1 . VAL 38 38 18017 1 . ASN 39 39 18017 1 . ASN 40 40 18017 1 . ILE 41 41 18017 1 . ARG 42 42 18017 1 . LEU 43 43 18017 1 . ILE 44 44 18017 1 . LYS 45 45 18017 1 . ASP 46 46 18017 1 . LYS 47 47 18017 1 . GLN 48 48 18017 1 . THR 49 49 18017 1 . GLN 50 50 18017 1 . GLN 51 51 18017 1 . ASN 52 52 18017 1 . ARG 53 53 18017 1 . GLY 54 54 18017 1 . PHE 55 55 18017 1 . ALA 56 56 18017 1 . PHE 57 57 18017 1 . VAL 58 58 18017 1 . GLN 59 59 18017 1 . LEU 60 60 18017 1 . SER 61 61 18017 1 . SER 62 62 18017 1 . ALA 63 63 18017 1 . MET 64 64 18017 1 . ASP 65 65 18017 1 . ALA 66 66 18017 1 . SER 67 67 18017 1 . GLN 68 68 18017 1 . LEU 69 69 18017 1 . LEU 70 70 18017 1 . GLN 71 71 18017 1 . ILE 72 72 18017 1 . LEU 73 73 18017 1 . GLN 74 74 18017 1 . SER 75 75 18017 1 . LEU 76 76 18017 1 . HIS 77 77 18017 1 . PRO 78 78 18017 1 . PRO 79 79 18017 1 . LEU 80 80 18017 1 . LYS 81 81 18017 1 . ILE 82 82 18017 1 . ASP 83 83 18017 1 . GLY 84 84 18017 1 . LYS 85 85 18017 1 . THR 86 86 18017 1 . ILE 87 87 18017 1 . GLY 88 88 18017 1 . VAL 89 89 18017 1 . ASP 90 90 18017 1 . PHE 91 91 18017 1 . ALA 92 92 18017 1 . LYS 93 93 18017 1 . SER 94 94 18017 1 . ALA 95 95 18017 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 18017 _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 $RRM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18017 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 18017 _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 $RRM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET28a modified' . . . . . . 18017 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18017 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RRM 'natural abundance' . . 1 $RRM . . . 1.2 1.4 mM . . . . 18017 1 2 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 18017 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18017 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 18017 1 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 18017 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18017 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18017 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18017 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 18017 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18017 2 3 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 18017 2 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 18017 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18017 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 18017 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 . pH 18017 1 pressure 1 . atm 18017 1 temperature 298 . K 18017 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18017 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18017 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18017 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18017 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18017 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18017 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18017 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18017 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18017 3 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18017 _Software.ID 4 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18017 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18017 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18017 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18017 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18017 5 'chemical shift calculation' 18017 5 'peak picking' 18017 5 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 18017 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18017 _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 . . . 18017 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 18017 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18017 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 18017 _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 na indirect 0.251449530 . . . . . . . . . 18017 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18017 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18017 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18017 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 18017 _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' . . . 18017 1 2 '3D CBCA(CO)NH' . . . 18017 1 3 '3D C(CO)NH' . . . 18017 1 4 '3D HNCO' . . . 18017 1 5 '3D H(CCO)NH' . . . 18017 1 6 '3D HNCACB' . . . 18017 1 7 '3D HBHA(CO)NH' . . . 18017 1 8 '3D 1H-15N NOESY' . . . 18017 1 9 '2D 1H-13C HSQC' . . . 18017 1 10 '3D HCCH-COSY' . . . 18017 1 11 '3D HCCH-TOCSY' . . . 18017 1 12 '3D 1H-13C NOESY' . . . 18017 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 9 9 MET H H 1 8.419 0.002 . 1 . . . A 9 MET H . 18017 1 2 . 1 1 9 9 MET HA H 1 4.547 0.003 . 1 . . . A 9 MET HA . 18017 1 3 . 1 1 9 9 MET HB2 H 1 1.927 0.076 . 2 . . . A 9 MET HB2 . 18017 1 4 . 1 1 9 9 MET HB3 H 1 2.229 0.121 . 2 . . . A 9 MET HB3 . 18017 1 5 . 1 1 9 9 MET HG2 H 1 2.267 0.001 . 2 . . . A 9 MET HG2 . 18017 1 6 . 1 1 9 9 MET HG3 H 1 2.350 0.002 . 2 . . . A 9 MET HG3 . 18017 1 7 . 1 1 9 9 MET HE1 H 1 1.684 0.004 . 1 . . . A 9 MET HE1 . 18017 1 8 . 1 1 9 9 MET HE2 H 1 1.684 0.004 . 1 . . . A 9 MET HE2 . 18017 1 9 . 1 1 9 9 MET HE3 H 1 1.684 0.004 . 1 . . . A 9 MET HE3 . 18017 1 10 . 1 1 9 9 MET C C 13 174.609 0.156 . 1 . . . A 9 MET C . 18017 1 11 . 1 1 9 9 MET CA C 13 55.517 0.229 . 1 . . . A 9 MET CA . 18017 1 12 . 1 1 9 9 MET CB C 13 31.700 0.243 . 1 . . . A 9 MET CB . 18017 1 13 . 1 1 9 9 MET CG C 13 31.978 0.035 . 1 . . . A 9 MET CG . 18017 1 14 . 1 1 9 9 MET CE C 13 16.381 0.020 . 1 . . . A 9 MET CE . 18017 1 15 . 1 1 9 9 MET N N 15 121.271 0.022 . 1 . . . A 9 MET N . 18017 1 16 . 1 1 10 10 ASP H H 1 7.942 0.002 . 1 . . . A 10 ASP H . 18017 1 17 . 1 1 10 10 ASP HA H 1 4.451 0.008 . 1 . . . A 10 ASP HA . 18017 1 18 . 1 1 10 10 ASP HB2 H 1 2.169 0.003 . 2 . . . A 10 ASP HB2 . 18017 1 19 . 1 1 10 10 ASP HB3 H 1 3.115 0.005 . 2 . . . A 10 ASP HB3 . 18017 1 20 . 1 1 10 10 ASP C C 13 174.682 0.156 . 1 . . . A 10 ASP C . 18017 1 21 . 1 1 10 10 ASP CA C 13 53.247 0.097 . 1 . . . A 10 ASP CA . 18017 1 22 . 1 1 10 10 ASP CB C 13 40.774 0.028 . 1 . . . A 10 ASP CB . 18017 1 23 . 1 1 10 10 ASP N N 15 117.304 0.039 . 1 . . . A 10 ASP N . 18017 1 24 . 1 1 11 11 THR H H 1 7.761 0.002 . 1 . . . A 11 THR H . 18017 1 25 . 1 1 11 11 THR HA H 1 5.468 0.005 . 1 . . . A 11 THR HA . 18017 1 26 . 1 1 11 11 THR HB H 1 4.047 0.007 . 1 . . . A 11 THR HB . 18017 1 27 . 1 1 11 11 THR HG21 H 1 1.140 0.004 . 1 . . . A 11 THR HG21 . 18017 1 28 . 1 1 11 11 THR HG22 H 1 1.140 0.004 . 1 . . . A 11 THR HG22 . 18017 1 29 . 1 1 11 11 THR HG23 H 1 1.140 0.004 . 1 . . . A 11 THR HG23 . 18017 1 30 . 1 1 11 11 THR C C 13 173.587 0.156 . 1 . . . A 11 THR C . 18017 1 31 . 1 1 11 11 THR CA C 13 61.643 0.100 . 1 . . . A 11 THR CA . 18017 1 32 . 1 1 11 11 THR CB C 13 71.689 0.031 . 1 . . . A 11 THR CB . 18017 1 33 . 1 1 11 11 THR CG2 C 13 21.045 0.053 . 1 . . . A 11 THR CG2 . 18017 1 34 . 1 1 11 11 THR N N 15 114.819 0.045 . 1 . . . A 11 THR N . 18017 1 35 . 1 1 12 12 ILE H H 1 9.118 0.001 . 1 . . . A 12 ILE H . 18017 1 36 . 1 1 12 12 ILE HA H 1 4.938 0.005 . 1 . . . A 12 ILE HA . 18017 1 37 . 1 1 12 12 ILE HB H 1 1.818 0.005 . 1 . . . A 12 ILE HB . 18017 1 38 . 1 1 12 12 ILE HG12 H 1 1.070 0.004 . 2 . . . A 12 ILE HG12 . 18017 1 39 . 1 1 12 12 ILE HG13 H 1 1.356 0.004 . 2 . . . A 12 ILE HG13 . 18017 1 40 . 1 1 12 12 ILE HG21 H 1 0.700 0.005 . 1 . . . A 12 ILE HG21 . 18017 1 41 . 1 1 12 12 ILE HG22 H 1 0.700 0.005 . 1 . . . A 12 ILE HG22 . 18017 1 42 . 1 1 12 12 ILE HG23 H 1 0.700 0.005 . 1 . . . A 12 ILE HG23 . 18017 1 43 . 1 1 12 12 ILE HD11 H 1 0.644 0.004 . 1 . . . A 12 ILE HD11 . 18017 1 44 . 1 1 12 12 ILE HD12 H 1 0.644 0.004 . 1 . . . A 12 ILE HD12 . 18017 1 45 . 1 1 12 12 ILE HD13 H 1 0.644 0.004 . 1 . . . A 12 ILE HD13 . 18017 1 46 . 1 1 12 12 ILE C C 13 173.746 0.156 . 1 . . . A 12 ILE C . 18017 1 47 . 1 1 12 12 ILE CA C 13 59.086 0.095 . 1 . . . A 12 ILE CA . 18017 1 48 . 1 1 12 12 ILE CB C 13 41.001 0.084 . 1 . . . A 12 ILE CB . 18017 1 49 . 1 1 12 12 ILE CG1 C 13 27.108 0.058 . 1 . . . A 12 ILE CG1 . 18017 1 50 . 1 1 12 12 ILE CG2 C 13 17.579 0.015 . 1 . . . A 12 ILE CG2 . 18017 1 51 . 1 1 12 12 ILE CD1 C 13 13.870 0.131 . 1 . . . A 12 ILE CD1 . 18017 1 52 . 1 1 12 12 ILE N N 15 123.626 0.014 . 1 . . . A 12 ILE N . 18017 1 53 . 1 1 13 13 ILE H H 1 9.259 0.003 . 1 . . . A 13 ILE H . 18017 1 54 . 1 1 13 13 ILE HA H 1 5.166 0.005 . 1 . . . A 13 ILE HA . 18017 1 55 . 1 1 13 13 ILE HB H 1 1.437 0.004 . 1 . . . A 13 ILE HB . 18017 1 56 . 1 1 13 13 ILE HG12 H 1 0.656 0.002 . 2 . . . A 13 ILE HG12 . 18017 1 57 . 1 1 13 13 ILE HG13 H 1 1.179 0.004 . 2 . . . A 13 ILE HG13 . 18017 1 58 . 1 1 13 13 ILE HG21 H 1 0.654 0.005 . 1 . . . A 13 ILE HG21 . 18017 1 59 . 1 1 13 13 ILE HG22 H 1 0.654 0.005 . 1 . . . A 13 ILE HG22 . 18017 1 60 . 1 1 13 13 ILE HG23 H 1 0.654 0.005 . 1 . . . A 13 ILE HG23 . 18017 1 61 . 1 1 13 13 ILE HD11 H 1 0.515 0.002 . 1 . . . A 13 ILE HD11 . 18017 1 62 . 1 1 13 13 ILE HD12 H 1 0.515 0.002 . 1 . . . A 13 ILE HD12 . 18017 1 63 . 1 1 13 13 ILE HD13 H 1 0.515 0.002 . 1 . . . A 13 ILE HD13 . 18017 1 64 . 1 1 13 13 ILE C C 13 172.943 0.156 . 1 . . . A 13 ILE C . 18017 1 65 . 1 1 13 13 ILE CA C 13 58.488 0.115 . 1 . . . A 13 ILE CA . 18017 1 66 . 1 1 13 13 ILE CB C 13 41.991 0.071 . 1 . . . A 13 ILE CB . 18017 1 67 . 1 1 13 13 ILE CG1 C 13 28.551 0.073 . 1 . . . A 13 ILE CG1 . 18017 1 68 . 1 1 13 13 ILE CG2 C 13 15.514 0.039 . 1 . . . A 13 ILE CG2 . 18017 1 69 . 1 1 13 13 ILE CD1 C 13 13.914 0.045 . 1 . . . A 13 ILE CD1 . 18017 1 70 . 1 1 13 13 ILE N N 15 123.263 0.017 . 1 . . . A 13 ILE N . 18017 1 71 . 1 1 14 14 LEU H H 1 8.827 0.002 . 1 . . . A 14 LEU H . 18017 1 72 . 1 1 14 14 LEU HA H 1 5.174 0.005 . 1 . . . A 14 LEU HA . 18017 1 73 . 1 1 14 14 LEU HB2 H 1 1.217 0.005 . 2 . . . A 14 LEU HB2 . 18017 1 74 . 1 1 14 14 LEU HB3 H 1 1.552 0.004 . 2 . . . A 14 LEU HB3 . 18017 1 75 . 1 1 14 14 LEU HG H 1 1.549 0.003 . 1 . . . A 14 LEU HG . 18017 1 76 . 1 1 14 14 LEU HD11 H 1 0.631 0.004 . 1 . . . A 14 LEU HD11 . 18017 1 77 . 1 1 14 14 LEU HD12 H 1 0.631 0.004 . 1 . . . A 14 LEU HD12 . 18017 1 78 . 1 1 14 14 LEU HD13 H 1 0.631 0.004 . 1 . . . A 14 LEU HD13 . 18017 1 79 . 1 1 14 14 LEU HD21 H 1 0.644 0.002 . 1 . . . A 14 LEU HD21 . 18017 1 80 . 1 1 14 14 LEU HD22 H 1 0.644 0.002 . 1 . . . A 14 LEU HD22 . 18017 1 81 . 1 1 14 14 LEU HD23 H 1 0.644 0.002 . 1 . . . A 14 LEU HD23 . 18017 1 82 . 1 1 14 14 LEU C C 13 175.794 0.156 . 1 . . . A 14 LEU C . 18017 1 83 . 1 1 14 14 LEU CA C 13 52.268 0.137 . 1 . . . A 14 LEU CA . 18017 1 84 . 1 1 14 14 LEU CB C 13 43.162 0.054 . 1 . . . A 14 LEU CB . 18017 1 85 . 1 1 14 14 LEU CG C 13 27.497 0.053 . 1 . . . A 14 LEU CG . 18017 1 86 . 1 1 14 14 LEU CD1 C 13 25.862 0.059 . 2 . . . A 14 LEU CD1 . 18017 1 87 . 1 1 14 14 LEU CD2 C 13 23.792 0.043 . 2 . . . A 14 LEU CD2 . 18017 1 88 . 1 1 14 14 LEU N N 15 125.686 0.025 . 1 . . . A 14 LEU N . 18017 1 89 . 1 1 15 15 ARG H H 1 9.098 0.002 . 1 . . . A 15 ARG H . 18017 1 90 . 1 1 15 15 ARG HA H 1 5.032 0.005 . 1 . . . A 15 ARG HA . 18017 1 91 . 1 1 15 15 ARG HB2 H 1 1.516 0.005 . 2 . . . A 15 ARG HB2 . 18017 1 92 . 1 1 15 15 ARG HB3 H 1 1.782 0.004 . 2 . . . A 15 ARG HB3 . 18017 1 93 . 1 1 15 15 ARG HG2 H 1 1.393 0.002 . 1 . . . A 15 ARG HG2 . 18017 1 94 . 1 1 15 15 ARG HG3 H 1 1.393 0.002 . 1 . . . A 15 ARG HG3 . 18017 1 95 . 1 1 15 15 ARG HD2 H 1 3.041 0.005 . 1 . . . A 15 ARG HD2 . 18017 1 96 . 1 1 15 15 ARG HD3 H 1 3.041 0.005 . 1 . . . A 15 ARG HD3 . 18017 1 97 . 1 1 15 15 ARG C C 13 175.757 0.156 . 1 . . . A 15 ARG C . 18017 1 98 . 1 1 15 15 ARG CA C 13 54.728 0.108 . 1 . . . A 15 ARG CA . 18017 1 99 . 1 1 15 15 ARG CB C 13 33.973 0.021 . 1 . . . A 15 ARG CB . 18017 1 100 . 1 1 15 15 ARG CG C 13 28.914 0.020 . 1 . . . A 15 ARG CG . 18017 1 101 . 1 1 15 15 ARG CD C 13 43.216 0.046 . 1 . . . A 15 ARG CD . 18017 1 102 . 1 1 15 15 ARG N N 15 120.289 0.017 . 1 . . . A 15 ARG N . 18017 1 103 . 1 1 16 16 ASN H H 1 8.272 0.003 . 1 . . . A 16 ASN H . 18017 1 104 . 1 1 16 16 ASN HA H 1 4.328 0.002 . 1 . . . A 16 ASN HA . 18017 1 105 . 1 1 16 16 ASN HB2 H 1 2.756 0.003 . 2 . . . A 16 ASN HB2 . 18017 1 106 . 1 1 16 16 ASN HB3 H 1 3.663 0.004 . 2 . . . A 16 ASN HB3 . 18017 1 107 . 1 1 16 16 ASN HD21 H 1 6.802 0.001 . 2 . . . A 16 ASN HD21 . 18017 1 108 . 1 1 16 16 ASN HD22 H 1 7.968 0.001 . 2 . . . A 16 ASN HD22 . 18017 1 109 . 1 1 16 16 ASN C C 13 174.269 0.156 . 1 . . . A 16 ASN C . 18017 1 110 . 1 1 16 16 ASN CA C 13 54.080 0.256 . 1 . . . A 16 ASN CA . 18017 1 111 . 1 1 16 16 ASN CB C 13 38.181 0.072 . 1 . . . A 16 ASN CB . 18017 1 112 . 1 1 16 16 ASN N N 15 115.598 0.045 . 1 . . . A 16 ASN N . 18017 1 113 . 1 1 16 16 ASN ND2 N 15 112.040 0.030 . 1 . . . A 16 ASN ND2 . 18017 1 114 . 1 1 17 17 ILE H H 1 7.647 0.007 . 1 . . . A 17 ILE H . 18017 1 115 . 1 1 17 17 ILE HA H 1 3.771 0.003 . 1 . . . A 17 ILE HA . 18017 1 116 . 1 1 17 17 ILE HB H 1 1.093 0.008 . 1 . . . A 17 ILE HB . 18017 1 117 . 1 1 17 17 ILE HG12 H 1 0.937 0.009 . 2 . . . A 17 ILE HG12 . 18017 1 118 . 1 1 17 17 ILE HG13 H 1 1.068 0.005 . 2 . . . A 17 ILE HG13 . 18017 1 119 . 1 1 17 17 ILE HG21 H 1 0.808 0.004 . 1 . . . A 17 ILE HG21 . 18017 1 120 . 1 1 17 17 ILE HG22 H 1 0.808 0.004 . 1 . . . A 17 ILE HG22 . 18017 1 121 . 1 1 17 17 ILE HG23 H 1 0.808 0.004 . 1 . . . A 17 ILE HG23 . 18017 1 122 . 1 1 17 17 ILE HD11 H 1 0.475 0.006 . 1 . . . A 17 ILE HD11 . 18017 1 123 . 1 1 17 17 ILE HD12 H 1 0.475 0.006 . 1 . . . A 17 ILE HD12 . 18017 1 124 . 1 1 17 17 ILE HD13 H 1 0.475 0.006 . 1 . . . A 17 ILE HD13 . 18017 1 125 . 1 1 17 17 ILE C C 13 176.869 0.156 . 1 . . . A 17 ILE C . 18017 1 126 . 1 1 17 17 ILE CA C 13 59.405 0.164 . 1 . . . A 17 ILE CA . 18017 1 127 . 1 1 17 17 ILE CB C 13 37.678 0.071 . 1 . . . A 17 ILE CB . 18017 1 128 . 1 1 17 17 ILE CG1 C 13 27.456 0.047 . 1 . . . A 17 ILE CG1 . 18017 1 129 . 1 1 17 17 ILE CG2 C 13 16.816 0.050 . 1 . . . A 17 ILE CG2 . 18017 1 130 . 1 1 17 17 ILE CD1 C 13 11.831 0.163 . 1 . . . A 17 ILE CD1 . 18017 1 131 . 1 1 17 17 ILE N N 15 116.192 0.059 . 1 . . . A 17 ILE N . 18017 1 132 . 1 1 18 18 ALA H H 1 9.199 0.002 . 1 . . . A 18 ALA H . 18017 1 133 . 1 1 18 18 ALA HA H 1 4.320 0.003 . 1 . . . A 18 ALA HA . 18017 1 134 . 1 1 18 18 ALA HB1 H 1 1.489 0.003 . 1 . . . A 18 ALA HB1 . 18017 1 135 . 1 1 18 18 ALA HB2 H 1 1.489 0.003 . 1 . . . A 18 ALA HB2 . 18017 1 136 . 1 1 18 18 ALA HB3 H 1 1.489 0.003 . 1 . . . A 18 ALA HB3 . 18017 1 137 . 1 1 18 18 ALA CA C 13 51.027 0.012 . 1 . . . A 18 ALA CA . 18017 1 138 . 1 1 18 18 ALA CB C 13 17.020 0.010 . 1 . . . A 18 ALA CB . 18017 1 139 . 1 1 18 18 ALA N N 15 131.511 0.014 . 1 . . . A 18 ALA N . 18017 1 140 . 1 1 19 19 PRO HA H 1 4.342 0.006 . 1 . . . A 19 PRO HA . 18017 1 141 . 1 1 19 19 PRO HB2 H 1 2.350 0.006 . 2 . . . A 19 PRO HB2 . 18017 1 142 . 1 1 19 19 PRO HB3 H 1 1.843 0.009 . 2 . . . A 19 PRO HB3 . 18017 1 143 . 1 1 19 19 PRO HG2 H 1 2.130 0.004 . 1 . . . A 19 PRO HG2 . 18017 1 144 . 1 1 19 19 PRO HG3 H 1 2.130 0.004 . 1 . . . A 19 PRO HG3 . 18017 1 145 . 1 1 19 19 PRO HD2 H 1 3.854 0.004 . 1 . . . A 19 PRO HD2 . 18017 1 146 . 1 1 19 19 PRO HD3 H 1 3.854 0.004 . 1 . . . A 19 PRO HD3 . 18017 1 147 . 1 1 19 19 PRO C C 13 176.909 0.156 . 1 . . . A 19 PRO C . 18017 1 148 . 1 1 19 19 PRO CA C 13 65.557 0.076 . 1 . . . A 19 PRO CA . 18017 1 149 . 1 1 19 19 PRO CB C 13 32.463 0.058 . 1 . . . A 19 PRO CB . 18017 1 150 . 1 1 19 19 PRO CG C 13 27.590 0.054 . 1 . . . A 19 PRO CG . 18017 1 151 . 1 1 19 19 PRO CD C 13 50.678 0.011 . 1 . . . A 19 PRO CD . 18017 1 152 . 1 1 20 20 HIS H H 1 7.984 0.005 . 1 . . . A 20 HIS H . 18017 1 153 . 1 1 20 20 HIS HA H 1 4.777 0.006 . 1 . . . A 20 HIS HA . 18017 1 154 . 1 1 20 20 HIS HB2 H 1 3.024 0.005 . 2 . . . A 20 HIS HB2 . 18017 1 155 . 1 1 20 20 HIS HB3 H 1 3.180 0.002 . 2 . . . A 20 HIS HB3 . 18017 1 156 . 1 1 20 20 HIS C C 13 175.678 0.156 . 1 . . . A 20 HIS C . 18017 1 157 . 1 1 20 20 HIS CA C 13 55.177 0.096 . 1 . . . A 20 HIS CA . 18017 1 158 . 1 1 20 20 HIS CB C 13 30.529 0.022 . 1 . . . A 20 HIS CB . 18017 1 159 . 1 1 20 20 HIS N N 15 109.918 0.071 . 1 . . . A 20 HIS N . 18017 1 160 . 1 1 21 21 THR H H 1 6.827 0.003 . 1 . . . A 21 THR H . 18017 1 161 . 1 1 21 21 THR HA H 1 4.070 0.006 . 1 . . . A 21 THR HA . 18017 1 162 . 1 1 21 21 THR HB H 1 3.444 0.005 . 1 . . . A 21 THR HB . 18017 1 163 . 1 1 21 21 THR HG21 H 1 1.047 0.004 . 1 . . . A 21 THR HG21 . 18017 1 164 . 1 1 21 21 THR HG22 H 1 1.047 0.004 . 1 . . . A 21 THR HG22 . 18017 1 165 . 1 1 21 21 THR HG23 H 1 1.047 0.004 . 1 . . . A 21 THR HG23 . 18017 1 166 . 1 1 21 21 THR C C 13 174.076 0.156 . 1 . . . A 21 THR C . 18017 1 167 . 1 1 21 21 THR CA C 13 64.336 0.153 . 1 . . . A 21 THR CA . 18017 1 168 . 1 1 21 21 THR CB C 13 69.361 0.073 . 1 . . . A 21 THR CB . 18017 1 169 . 1 1 21 21 THR CG2 C 13 23.261 0.084 . 1 . . . A 21 THR CG2 . 18017 1 170 . 1 1 21 21 THR N N 15 121.160 0.017 . 1 . . . A 21 THR N . 18017 1 171 . 1 1 22 22 VAL H H 1 8.304 0.003 . 1 . . . A 22 VAL H . 18017 1 172 . 1 1 22 22 VAL HA H 1 4.720 0.004 . 1 . . . A 22 VAL HA . 18017 1 173 . 1 1 22 22 VAL HB H 1 2.502 0.004 . 1 . . . A 22 VAL HB . 18017 1 174 . 1 1 22 22 VAL HG11 H 1 1.053 0.006 . 1 . . . A 22 VAL HG11 . 18017 1 175 . 1 1 22 22 VAL HG12 H 1 1.053 0.006 . 1 . . . A 22 VAL HG12 . 18017 1 176 . 1 1 22 22 VAL HG13 H 1 1.053 0.006 . 1 . . . A 22 VAL HG13 . 18017 1 177 . 1 1 22 22 VAL HG21 H 1 1.008 0.003 . 1 . . . A 22 VAL HG21 . 18017 1 178 . 1 1 22 22 VAL HG22 H 1 1.008 0.003 . 1 . . . A 22 VAL HG22 . 18017 1 179 . 1 1 22 22 VAL HG23 H 1 1.008 0.003 . 1 . . . A 22 VAL HG23 . 18017 1 180 . 1 1 22 22 VAL C C 13 177.937 0.156 . 1 . . . A 22 VAL C . 18017 1 181 . 1 1 22 22 VAL CA C 13 58.985 0.125 . 1 . . . A 22 VAL CA . 18017 1 182 . 1 1 22 22 VAL CB C 13 34.028 0.029 . 1 . . . A 22 VAL CB . 18017 1 183 . 1 1 22 22 VAL CG1 C 13 21.719 0.066 . 2 . . . A 22 VAL CG1 . 18017 1 184 . 1 1 22 22 VAL CG2 C 13 18.781 0.010 . 2 . . . A 22 VAL CG2 . 18017 1 185 . 1 1 22 22 VAL N N 15 119.483 0.036 . 1 . . . A 22 VAL N . 18017 1 186 . 1 1 23 23 VAL H H 1 8.860 0.003 . 1 . . . A 23 VAL H . 18017 1 187 . 1 1 23 23 VAL HA H 1 3.476 0.004 . 1 . . . A 23 VAL HA . 18017 1 188 . 1 1 23 23 VAL HB H 1 2.104 0.003 . 1 . . . A 23 VAL HB . 18017 1 189 . 1 1 23 23 VAL HG11 H 1 1.084 0.009 . 1 . . . A 23 VAL HG11 . 18017 1 190 . 1 1 23 23 VAL HG12 H 1 1.084 0.009 . 1 . . . A 23 VAL HG12 . 18017 1 191 . 1 1 23 23 VAL HG13 H 1 1.084 0.009 . 1 . . . A 23 VAL HG13 . 18017 1 192 . 1 1 23 23 VAL HG21 H 1 1.023 0.004 . 1 . . . A 23 VAL HG21 . 18017 1 193 . 1 1 23 23 VAL HG22 H 1 1.023 0.004 . 1 . . . A 23 VAL HG22 . 18017 1 194 . 1 1 23 23 VAL HG23 H 1 1.023 0.004 . 1 . . . A 23 VAL HG23 . 18017 1 195 . 1 1 23 23 VAL C C 13 177.840 0.156 . 1 . . . A 23 VAL C . 18017 1 196 . 1 1 23 23 VAL CA C 13 67.171 0.114 . 1 . . . A 23 VAL CA . 18017 1 197 . 1 1 23 23 VAL CB C 13 31.654 0.044 . 1 . . . A 23 VAL CB . 18017 1 198 . 1 1 23 23 VAL CG1 C 13 23.148 0.009 . 2 . . . A 23 VAL CG1 . 18017 1 199 . 1 1 23 23 VAL CG2 C 13 20.972 0.019 . 2 . . . A 23 VAL CG2 . 18017 1 200 . 1 1 23 23 VAL N N 15 122.330 0.013 . 1 . . . A 23 VAL N . 18017 1 201 . 1 1 24 24 ASP H H 1 8.798 0.002 . 1 . . . A 24 ASP H . 18017 1 202 . 1 1 24 24 ASP HA H 1 4.324 0.002 . 1 . . . A 24 ASP HA . 18017 1 203 . 1 1 24 24 ASP HB2 H 1 2.539 0.006 . 2 . . . A 24 ASP HB2 . 18017 1 204 . 1 1 24 24 ASP HB3 H 1 2.614 0.001 . 2 . . . A 24 ASP HB3 . 18017 1 205 . 1 1 24 24 ASP C C 13 178.139 0.156 . 1 . . . A 24 ASP C . 18017 1 206 . 1 1 24 24 ASP CA C 13 57.508 0.059 . 1 . . . A 24 ASP CA . 18017 1 207 . 1 1 24 24 ASP CB C 13 40.618 0.035 . 1 . . . A 24 ASP CB . 18017 1 208 . 1 1 24 24 ASP N N 15 118.929 0.030 . 1 . . . A 24 ASP N . 18017 1 209 . 1 1 25 25 SER H H 1 7.522 0.002 . 1 . . . A 25 SER H . 18017 1 210 . 1 1 25 25 SER HA H 1 4.343 0.006 . 1 . . . A 25 SER HA . 18017 1 211 . 1 1 25 25 SER HB2 H 1 3.837 0.003 . 2 . . . A 25 SER HB2 . 18017 1 212 . 1 1 25 25 SER HB3 H 1 4.070 0.008 . 2 . . . A 25 SER HB3 . 18017 1 213 . 1 1 25 25 SER C C 13 177.038 0.156 . 1 . . . A 25 SER C . 18017 1 214 . 1 1 25 25 SER CA C 13 61.002 0.123 . 1 . . . A 25 SER CA . 18017 1 215 . 1 1 25 25 SER CB C 13 62.116 0.086 . 1 . . . A 25 SER CB . 18017 1 216 . 1 1 25 25 SER N N 15 113.808 0.051 . 1 . . . A 25 SER N . 18017 1 217 . 1 1 26 26 ILE H H 1 7.360 0.002 . 1 . . . A 26 ILE H . 18017 1 218 . 1 1 26 26 ILE HA H 1 3.580 0.003 . 1 . . . A 26 ILE HA . 18017 1 219 . 1 1 26 26 ILE HB H 1 2.020 0.007 . 1 . . . A 26 ILE HB . 18017 1 220 . 1 1 26 26 ILE HG12 H 1 0.687 0.001 . 2 . . . A 26 ILE HG12 . 18017 1 221 . 1 1 26 26 ILE HG13 H 1 1.606 0.004 . 2 . . . A 26 ILE HG13 . 18017 1 222 . 1 1 26 26 ILE HG21 H 1 0.653 0.007 . 1 . . . A 26 ILE HG21 . 18017 1 223 . 1 1 26 26 ILE HG22 H 1 0.653 0.007 . 1 . . . A 26 ILE HG22 . 18017 1 224 . 1 1 26 26 ILE HG23 H 1 0.653 0.007 . 1 . . . A 26 ILE HG23 . 18017 1 225 . 1 1 26 26 ILE HD11 H 1 0.627 0.005 . 1 . . . A 26 ILE HD11 . 18017 1 226 . 1 1 26 26 ILE HD12 H 1 0.627 0.005 . 1 . . . A 26 ILE HD12 . 18017 1 227 . 1 1 26 26 ILE HD13 H 1 0.627 0.005 . 1 . . . A 26 ILE HD13 . 18017 1 228 . 1 1 26 26 ILE C C 13 176.635 0.156 . 1 . . . A 26 ILE C . 18017 1 229 . 1 1 26 26 ILE CA C 13 65.165 0.166 . 1 . . . A 26 ILE CA . 18017 1 230 . 1 1 26 26 ILE CB C 13 37.504 0.118 . 1 . . . A 26 ILE CB . 18017 1 231 . 1 1 26 26 ILE CG1 C 13 28.346 0.080 . 1 . . . A 26 ILE CG1 . 18017 1 232 . 1 1 26 26 ILE CG2 C 13 17.570 0.155 . 1 . . . A 26 ILE CG2 . 18017 1 233 . 1 1 26 26 ILE CD1 C 13 14.290 0.024 . 1 . . . A 26 ILE CD1 . 18017 1 234 . 1 1 26 26 ILE N N 15 122.519 0.012 . 1 . . . A 26 ILE N . 18017 1 235 . 1 1 27 27 MET H H 1 8.071 0.002 . 1 . . . A 27 MET H . 18017 1 236 . 1 1 27 27 MET HA H 1 3.923 0.007 . 1 . . . A 27 MET HA . 18017 1 237 . 1 1 27 27 MET HB2 H 1 2.036 0.012 . 2 . . . A 27 MET HB2 . 18017 1 238 . 1 1 27 27 MET HB3 H 1 2.292 0.053 . 2 . . . A 27 MET HB3 . 18017 1 239 . 1 1 27 27 MET HG2 H 1 2.375 0.004 . 2 . . . A 27 MET HG2 . 18017 1 240 . 1 1 27 27 MET HG3 H 1 2.488 0.002 . 2 . . . A 27 MET HG3 . 18017 1 241 . 1 1 27 27 MET HE1 H 1 2.003 0.003 . 1 . . . A 27 MET HE1 . 18017 1 242 . 1 1 27 27 MET HE2 H 1 2.003 0.003 . 1 . . . A 27 MET HE2 . 18017 1 243 . 1 1 27 27 MET HE3 H 1 2.003 0.003 . 1 . . . A 27 MET HE3 . 18017 1 244 . 1 1 27 27 MET C C 13 179.299 0.156 . 1 . . . A 27 MET C . 18017 1 245 . 1 1 27 27 MET CA C 13 58.969 0.122 . 1 . . . A 27 MET CA . 18017 1 246 . 1 1 27 27 MET CB C 13 31.962 0.077 . 1 . . . A 27 MET CB . 18017 1 247 . 1 1 27 27 MET CG C 13 32.046 0.032 . 1 . . . A 27 MET CG . 18017 1 248 . 1 1 27 27 MET CE C 13 16.799 0.015 . 1 . . . A 27 MET CE . 18017 1 249 . 1 1 27 27 MET N N 15 118.314 0.033 . 1 . . . A 27 MET N . 18017 1 250 . 1 1 28 28 THR H H 1 8.495 0.004 . 1 . . . A 28 THR H . 18017 1 251 . 1 1 28 28 THR HA H 1 3.909 0.001 . 1 . . . A 28 THR HA . 18017 1 252 . 1 1 28 28 THR HB H 1 4.136 0.002 . 1 . . . A 28 THR HB . 18017 1 253 . 1 1 28 28 THR HG21 H 1 1.250 0.002 . 1 . . . A 28 THR HG21 . 18017 1 254 . 1 1 28 28 THR HG22 H 1 1.250 0.002 . 1 . . . A 28 THR HG22 . 18017 1 255 . 1 1 28 28 THR HG23 H 1 1.250 0.002 . 1 . . . A 28 THR HG23 . 18017 1 256 . 1 1 28 28 THR C C 13 176.593 0.156 . 1 . . . A 28 THR C . 18017 1 257 . 1 1 28 28 THR CA C 13 66.572 0.151 . 1 . . . A 28 THR CA . 18017 1 258 . 1 1 28 28 THR CB C 13 68.691 0.056 . 1 . . . A 28 THR CB . 18017 1 259 . 1 1 28 28 THR CG2 C 13 21.945 0.123 . 1 . . . A 28 THR CG2 . 18017 1 260 . 1 1 28 28 THR N N 15 115.656 0.050 . 1 . . . A 28 THR N . 18017 1 261 . 1 1 29 29 ALA H H 1 7.502 0.005 . 1 . . . A 29 ALA H . 18017 1 262 . 1 1 29 29 ALA HA H 1 4.206 0.002 . 1 . . . A 29 ALA HA . 18017 1 263 . 1 1 29 29 ALA HB1 H 1 1.517 0.004 . 1 . . . A 29 ALA HB1 . 18017 1 264 . 1 1 29 29 ALA HB2 H 1 1.517 0.004 . 1 . . . A 29 ALA HB2 . 18017 1 265 . 1 1 29 29 ALA HB3 H 1 1.517 0.004 . 1 . . . A 29 ALA HB3 . 18017 1 266 . 1 1 29 29 ALA C C 13 178.294 0.156 . 1 . . . A 29 ALA C . 18017 1 267 . 1 1 29 29 ALA CA C 13 54.413 0.131 . 1 . . . A 29 ALA CA . 18017 1 268 . 1 1 29 29 ALA CB C 13 19.139 0.084 . 1 . . . A 29 ALA CB . 18017 1 269 . 1 1 29 29 ALA N N 15 122.758 0.025 . 1 . . . A 29 ALA N . 18017 1 270 . 1 1 30 30 LEU H H 1 7.632 0.004 . 1 . . . A 30 LEU H . 18017 1 271 . 1 1 30 30 LEU HA H 1 4.626 0.006 . 1 . . . A 30 LEU HA . 18017 1 272 . 1 1 30 30 LEU HB2 H 1 1.584 0.007 . 2 . . . A 30 LEU HB2 . 18017 1 273 . 1 1 30 30 LEU HB3 H 1 1.808 0.006 . 2 . . . A 30 LEU HB3 . 18017 1 274 . 1 1 30 30 LEU HG H 1 1.935 0.008 . 1 . . . A 30 LEU HG . 18017 1 275 . 1 1 30 30 LEU HD11 H 1 0.770 0.028 . 1 . . . A 30 LEU HD11 . 18017 1 276 . 1 1 30 30 LEU HD12 H 1 0.770 0.028 . 1 . . . A 30 LEU HD12 . 18017 1 277 . 1 1 30 30 LEU HD13 H 1 0.770 0.028 . 1 . . . A 30 LEU HD13 . 18017 1 278 . 1 1 30 30 LEU HD21 H 1 0.838 0.026 . 1 . . . A 30 LEU HD21 . 18017 1 279 . 1 1 30 30 LEU HD22 H 1 0.838 0.026 . 1 . . . A 30 LEU HD22 . 18017 1 280 . 1 1 30 30 LEU HD23 H 1 0.838 0.026 . 1 . . . A 30 LEU HD23 . 18017 1 281 . 1 1 30 30 LEU C C 13 177.647 0.156 . 1 . . . A 30 LEU C . 18017 1 282 . 1 1 30 30 LEU CA C 13 55.298 0.018 . 1 . . . A 30 LEU CA . 18017 1 283 . 1 1 30 30 LEU CB C 13 43.136 0.077 . 1 . . . A 30 LEU CB . 18017 1 284 . 1 1 30 30 LEU CG C 13 27.901 0.068 . 1 . . . A 30 LEU CG . 18017 1 285 . 1 1 30 30 LEU CD1 C 13 26.087 0.022 . 2 . . . A 30 LEU CD1 . 18017 1 286 . 1 1 30 30 LEU CD2 C 13 24.338 0.167 . 2 . . . A 30 LEU CD2 . 18017 1 287 . 1 1 30 30 LEU N N 15 111.753 0.070 . 1 . . . A 30 LEU N . 18017 1 288 . 1 1 31 31 SER H H 1 7.959 0.003 . 1 . . . A 31 SER H . 18017 1 289 . 1 1 31 31 SER HA H 1 4.593 0.003 . 1 . . . A 31 SER HA . 18017 1 290 . 1 1 31 31 SER HB2 H 1 4.120 0.004 . 1 . . . A 31 SER HB2 . 18017 1 291 . 1 1 31 31 SER HB3 H 1 4.120 0.004 . 1 . . . A 31 SER HB3 . 18017 1 292 . 1 1 31 31 SER CA C 13 62.769 0.003 . 1 . . . A 31 SER CA . 18017 1 293 . 1 1 31 31 SER CB C 13 63.014 0.005 . 1 . . . A 31 SER CB . 18017 1 294 . 1 1 31 31 SER N N 15 117.879 0.046 . 1 . . . A 31 SER N . 18017 1 295 . 1 1 32 32 PRO HA H 1 4.167 0.001 . 1 . . . A 32 PRO HA . 18017 1 296 . 1 1 32 32 PRO HB2 H 1 1.925 0.003 . 2 . . . A 32 PRO HB2 . 18017 1 297 . 1 1 32 32 PRO HB3 H 1 0.055 0.002 . 2 . . . A 32 PRO HB3 . 18017 1 298 . 1 1 32 32 PRO HG2 H 1 1.554 0.004 . 2 . . . A 32 PRO HG2 . 18017 1 299 . 1 1 32 32 PRO HG3 H 1 1.618 0.008 . 2 . . . A 32 PRO HG3 . 18017 1 300 . 1 1 32 32 PRO HD2 H 1 2.990 0.003 . 2 . . . A 32 PRO HD2 . 18017 1 301 . 1 1 32 32 PRO HD3 H 1 3.803 0.005 . 2 . . . A 32 PRO HD3 . 18017 1 302 . 1 1 32 32 PRO C C 13 176.529 0.156 . 1 . . . A 32 PRO C . 18017 1 303 . 1 1 32 32 PRO CA C 13 64.668 0.119 . 1 . . . A 32 PRO CA . 18017 1 304 . 1 1 32 32 PRO CB C 13 30.522 0.034 . 1 . . . A 32 PRO CB . 18017 1 305 . 1 1 32 32 PRO CG C 13 28.053 0.045 . 1 . . . A 32 PRO CG . 18017 1 306 . 1 1 32 32 PRO CD C 13 51.255 0.062 . 1 . . . A 32 PRO CD . 18017 1 307 . 1 1 33 33 TYR H H 1 7.763 0.002 . 1 . . . A 33 TYR H . 18017 1 308 . 1 1 33 33 TYR HA H 1 4.619 0.004 . 1 . . . A 33 TYR HA . 18017 1 309 . 1 1 33 33 TYR HB2 H 1 2.585 0.007 . 2 . . . A 33 TYR HB2 . 18017 1 310 . 1 1 33 33 TYR HB3 H 1 3.214 0.005 . 2 . . . A 33 TYR HB3 . 18017 1 311 . 1 1 33 33 TYR HD1 H 1 7.019 0.004 . 3 . . . A 33 TYR HD1 . 18017 1 312 . 1 1 33 33 TYR HD2 H 1 7.025 0.001 . 3 . . . A 33 TYR HD2 . 18017 1 313 . 1 1 33 33 TYR HE1 H 1 6.760 0.002 . 3 . . . A 33 TYR HE1 . 18017 1 314 . 1 1 33 33 TYR HE2 H 1 6.758 0.002 . 3 . . . A 33 TYR HE2 . 18017 1 315 . 1 1 33 33 TYR C C 13 174.870 0.156 . 1 . . . A 33 TYR C . 18017 1 316 . 1 1 33 33 TYR CA C 13 56.724 0.066 . 1 . . . A 33 TYR CA . 18017 1 317 . 1 1 33 33 TYR CB C 13 40.679 0.037 . 1 . . . A 33 TYR CB . 18017 1 318 . 1 1 33 33 TYR N N 15 113.088 0.031 . 1 . . . A 33 TYR N . 18017 1 319 . 1 1 34 34 ALA H H 1 7.893 0.002 . 1 . . . A 34 ALA H . 18017 1 320 . 1 1 34 34 ALA HA H 1 4.475 0.001 . 1 . . . A 34 ALA HA . 18017 1 321 . 1 1 34 34 ALA HB1 H 1 1.266 0.004 . 1 . . . A 34 ALA HB1 . 18017 1 322 . 1 1 34 34 ALA HB2 H 1 1.266 0.004 . 1 . . . A 34 ALA HB2 . 18017 1 323 . 1 1 34 34 ALA HB3 H 1 1.266 0.004 . 1 . . . A 34 ALA HB3 . 18017 1 324 . 1 1 34 34 ALA C C 13 174.951 0.156 . 1 . . . A 34 ALA C . 18017 1 325 . 1 1 34 34 ALA CA C 13 51.497 0.081 . 1 . . . A 34 ALA CA . 18017 1 326 . 1 1 34 34 ALA CB C 13 22.465 0.045 . 1 . . . A 34 ALA CB . 18017 1 327 . 1 1 34 34 ALA N N 15 120.153 0.031 . 1 . . . A 34 ALA N . 18017 1 328 . 1 1 35 35 SER H H 1 8.524 0.003 . 1 . . . A 35 SER H . 18017 1 329 . 1 1 35 35 SER HA H 1 4.552 0.003 . 1 . . . A 35 SER HA . 18017 1 330 . 1 1 35 35 SER HB2 H 1 3.741 0.002 . 2 . . . A 35 SER HB2 . 18017 1 331 . 1 1 35 35 SER HB3 H 1 3.833 0.002 . 2 . . . A 35 SER HB3 . 18017 1 332 . 1 1 35 35 SER C C 13 173.636 0.156 . 1 . . . A 35 SER C . 18017 1 333 . 1 1 35 35 SER CA C 13 57.074 0.167 . 1 . . . A 35 SER CA . 18017 1 334 . 1 1 35 35 SER CB C 13 62.425 0.109 . 1 . . . A 35 SER CB . 18017 1 335 . 1 1 35 35 SER N N 15 116.020 0.050 . 1 . . . A 35 SER N . 18017 1 336 . 1 1 36 36 LEU H H 1 8.087 0.006 . 1 . . . A 36 LEU H . 18017 1 337 . 1 1 36 36 LEU HA H 1 4.612 0.005 . 1 . . . A 36 LEU HA . 18017 1 338 . 1 1 36 36 LEU HB2 H 1 1.372 0.006 . 2 . . . A 36 LEU HB2 . 18017 1 339 . 1 1 36 36 LEU HB3 H 1 1.602 0.006 . 2 . . . A 36 LEU HB3 . 18017 1 340 . 1 1 36 36 LEU HG H 1 1.419 0.010 . 1 . . . A 36 LEU HG . 18017 1 341 . 1 1 36 36 LEU HD11 H 1 0.729 0.002 . 1 . . . A 36 LEU HD11 . 18017 1 342 . 1 1 36 36 LEU HD12 H 1 0.729 0.002 . 1 . . . A 36 LEU HD12 . 18017 1 343 . 1 1 36 36 LEU HD13 H 1 0.729 0.002 . 1 . . . A 36 LEU HD13 . 18017 1 344 . 1 1 36 36 LEU HD21 H 1 0.733 0.002 . 1 . . . A 36 LEU HD21 . 18017 1 345 . 1 1 36 36 LEU HD22 H 1 0.733 0.002 . 1 . . . A 36 LEU HD22 . 18017 1 346 . 1 1 36 36 LEU HD23 H 1 0.733 0.002 . 1 . . . A 36 LEU HD23 . 18017 1 347 . 1 1 36 36 LEU C C 13 174.412 0.156 . 1 . . . A 36 LEU C . 18017 1 348 . 1 1 36 36 LEU CA C 13 53.671 0.191 . 1 . . . A 36 LEU CA . 18017 1 349 . 1 1 36 36 LEU CB C 13 44.941 0.091 . 1 . . . A 36 LEU CB . 18017 1 350 . 1 1 36 36 LEU CG C 13 26.980 0.185 . 1 . . . A 36 LEU CG . 18017 1 351 . 1 1 36 36 LEU CD1 C 13 27.100 0.020 . 2 . . . A 36 LEU CD1 . 18017 1 352 . 1 1 36 36 LEU CD2 C 13 24.167 0.015 . 2 . . . A 36 LEU CD2 . 18017 1 353 . 1 1 36 36 LEU N N 15 126.128 0.016 . 1 . . . A 36 LEU N . 18017 1 354 . 1 1 37 37 ALA H H 1 8.295 0.002 . 1 . . . A 37 ALA H . 18017 1 355 . 1 1 37 37 ALA HA H 1 4.713 0.004 . 1 . . . A 37 ALA HA . 18017 1 356 . 1 1 37 37 ALA HB1 H 1 1.417 0.004 . 1 . . . A 37 ALA HB1 . 18017 1 357 . 1 1 37 37 ALA HB2 H 1 1.417 0.004 . 1 . . . A 37 ALA HB2 . 18017 1 358 . 1 1 37 37 ALA HB3 H 1 1.417 0.004 . 1 . . . A 37 ALA HB3 . 18017 1 359 . 1 1 37 37 ALA C C 13 178.657 0.156 . 1 . . . A 37 ALA C . 18017 1 360 . 1 1 37 37 ALA CA C 13 50.220 0.126 . 1 . . . A 37 ALA CA . 18017 1 361 . 1 1 37 37 ALA CB C 13 21.462 0.117 . 1 . . . A 37 ALA CB . 18017 1 362 . 1 1 37 37 ALA N N 15 122.973 0.013 . 1 . . . A 37 ALA N . 18017 1 363 . 1 1 38 38 VAL H H 1 8.650 0.003 . 1 . . . A 38 VAL H . 18017 1 364 . 1 1 38 38 VAL HA H 1 3.790 0.005 . 1 . . . A 38 VAL HA . 18017 1 365 . 1 1 38 38 VAL HB H 1 2.100 0.003 . 1 . . . A 38 VAL HB . 18017 1 366 . 1 1 38 38 VAL HG11 H 1 1.002 0.005 . 1 . . . A 38 VAL HG11 . 18017 1 367 . 1 1 38 38 VAL HG12 H 1 1.002 0.005 . 1 . . . A 38 VAL HG12 . 18017 1 368 . 1 1 38 38 VAL HG13 H 1 1.002 0.005 . 1 . . . A 38 VAL HG13 . 18017 1 369 . 1 1 38 38 VAL HG21 H 1 1.030 0.009 . 1 . . . A 38 VAL HG21 . 18017 1 370 . 1 1 38 38 VAL HG22 H 1 1.030 0.009 . 1 . . . A 38 VAL HG22 . 18017 1 371 . 1 1 38 38 VAL HG23 H 1 1.030 0.009 . 1 . . . A 38 VAL HG23 . 18017 1 372 . 1 1 38 38 VAL CA C 13 66.004 0.126 . 1 . . . A 38 VAL CA . 18017 1 373 . 1 1 38 38 VAL CB C 13 31.690 0.110 . 1 . . . A 38 VAL CB . 18017 1 374 . 1 1 38 38 VAL CG1 C 13 20.940 0.008 . 2 . . . A 38 VAL CG1 . 18017 1 375 . 1 1 38 38 VAL CG2 C 13 21.485 0.303 . 2 . . . A 38 VAL CG2 . 18017 1 376 . 1 1 38 38 VAL N N 15 120.371 0.012 . 1 . . . A 38 VAL N . 18017 1 377 . 1 1 39 39 ASN H H 1 8.091 0.003 . 1 . . . A 39 ASN H . 18017 1 378 . 1 1 39 39 ASN HA H 1 4.614 0.006 . 1 . . . A 39 ASN HA . 18017 1 379 . 1 1 39 39 ASN HB2 H 1 2.755 0.001 . 2 . . . A 39 ASN HB2 . 18017 1 380 . 1 1 39 39 ASN HB3 H 1 2.790 0.003 . 2 . . . A 39 ASN HB3 . 18017 1 381 . 1 1 39 39 ASN HD21 H 1 6.854 0.002 . 2 . . . A 39 ASN HD21 . 18017 1 382 . 1 1 39 39 ASN HD22 H 1 7.617 0.002 . 2 . . . A 39 ASN HD22 . 18017 1 383 . 1 1 39 39 ASN C C 13 175.715 0.156 . 1 . . . A 39 ASN C . 18017 1 384 . 1 1 39 39 ASN CA C 13 54.439 0.066 . 1 . . . A 39 ASN CA . 18017 1 385 . 1 1 39 39 ASN CB C 13 37.464 0.068 . 1 . . . A 39 ASN CB . 18017 1 386 . 1 1 39 39 ASN N N 15 114.240 0.046 . 1 . . . A 39 ASN N . 18017 1 387 . 1 1 39 39 ASN ND2 N 15 112.927 0.026 . 1 . . . A 39 ASN ND2 . 18017 1 388 . 1 1 40 40 ASN H H 1 8.132 0.002 . 1 . . . A 40 ASN H . 18017 1 389 . 1 1 40 40 ASN HA H 1 4.864 0.006 . 1 . . . A 40 ASN HA . 18017 1 390 . 1 1 40 40 ASN HB2 H 1 2.855 0.004 . 2 . . . A 40 ASN HB2 . 18017 1 391 . 1 1 40 40 ASN HB3 H 1 3.650 0.007 . 2 . . . A 40 ASN HB3 . 18017 1 392 . 1 1 40 40 ASN HD21 H 1 6.940 0.001 . 2 . . . A 40 ASN HD21 . 18017 1 393 . 1 1 40 40 ASN HD22 H 1 7.735 0.005 . 2 . . . A 40 ASN HD22 . 18017 1 394 . 1 1 40 40 ASN C C 13 173.459 0.156 . 1 . . . A 40 ASN C . 18017 1 395 . 1 1 40 40 ASN CA C 13 54.519 0.117 . 1 . . . A 40 ASN CA . 18017 1 396 . 1 1 40 40 ASN CB C 13 40.087 0.028 . 1 . . . A 40 ASN CB . 18017 1 397 . 1 1 40 40 ASN N N 15 116.388 0.028 . 1 . . . A 40 ASN N . 18017 1 398 . 1 1 40 40 ASN ND2 N 15 110.478 0.043 . 1 . . . A 40 ASN ND2 . 18017 1 399 . 1 1 41 41 ILE H H 1 7.685 0.002 . 1 . . . A 41 ILE H . 18017 1 400 . 1 1 41 41 ILE HA H 1 4.869 0.006 . 1 . . . A 41 ILE HA . 18017 1 401 . 1 1 41 41 ILE HB H 1 1.916 0.006 . 1 . . . A 41 ILE HB . 18017 1 402 . 1 1 41 41 ILE HG12 H 1 0.906 0.004 . 2 . . . A 41 ILE HG12 . 18017 1 403 . 1 1 41 41 ILE HG13 H 1 1.601 0.007 . 2 . . . A 41 ILE HG13 . 18017 1 404 . 1 1 41 41 ILE HG21 H 1 0.726 0.003 . 1 . . . A 41 ILE HG21 . 18017 1 405 . 1 1 41 41 ILE HG22 H 1 0.726 0.003 . 1 . . . A 41 ILE HG22 . 18017 1 406 . 1 1 41 41 ILE HG23 H 1 0.726 0.003 . 1 . . . A 41 ILE HG23 . 18017 1 407 . 1 1 41 41 ILE HD11 H 1 0.745 0.003 . 1 . . . A 41 ILE HD11 . 18017 1 408 . 1 1 41 41 ILE HD12 H 1 0.745 0.003 . 1 . . . A 41 ILE HD12 . 18017 1 409 . 1 1 41 41 ILE HD13 H 1 0.745 0.003 . 1 . . . A 41 ILE HD13 . 18017 1 410 . 1 1 41 41 ILE C C 13 174.445 0.156 . 1 . . . A 41 ILE C . 18017 1 411 . 1 1 41 41 ILE CA C 13 60.182 0.106 . 1 . . . A 41 ILE CA . 18017 1 412 . 1 1 41 41 ILE CB C 13 39.408 0.045 . 1 . . . A 41 ILE CB . 18017 1 413 . 1 1 41 41 ILE CG1 C 13 27.736 0.027 . 1 . . . A 41 ILE CG1 . 18017 1 414 . 1 1 41 41 ILE CG2 C 13 17.772 0.027 . 1 . . . A 41 ILE CG2 . 18017 1 415 . 1 1 41 41 ILE CD1 C 13 14.320 0.032 . 1 . . . A 41 ILE CD1 . 18017 1 416 . 1 1 41 41 ILE N N 15 119.763 0.019 . 1 . . . A 41 ILE N . 18017 1 417 . 1 1 42 42 ARG H H 1 9.212 0.003 . 1 . . . A 42 ARG H . 18017 1 418 . 1 1 42 42 ARG HA H 1 4.734 0.004 . 1 . . . A 42 ARG HA . 18017 1 419 . 1 1 42 42 ARG HB2 H 1 1.877 0.002 . 2 . . . A 42 ARG HB2 . 18017 1 420 . 1 1 42 42 ARG HB3 H 1 1.926 0.156 . 2 . . . A 42 ARG HB3 . 18017 1 421 . 1 1 42 42 ARG HG2 H 1 1.577 0.004 . 2 . . . A 42 ARG HG2 . 18017 1 422 . 1 1 42 42 ARG HG3 H 1 1.648 0.006 . 2 . . . A 42 ARG HG3 . 18017 1 423 . 1 1 42 42 ARG HD2 H 1 3.199 0.007 . 2 . . . A 42 ARG HD2 . 18017 1 424 . 1 1 42 42 ARG HD3 H 1 3.233 0.002 . 2 . . . A 42 ARG HD3 . 18017 1 425 . 1 1 42 42 ARG C C 13 174.592 0.156 . 1 . . . A 42 ARG C . 18017 1 426 . 1 1 42 42 ARG CA C 13 54.692 0.131 . 1 . . . A 42 ARG CA . 18017 1 427 . 1 1 42 42 ARG CB C 13 32.280 0.020 . 1 . . . A 42 ARG CB . 18017 1 428 . 1 1 42 42 ARG CG C 13 27.164 0.031 . 1 . . . A 42 ARG CG . 18017 1 429 . 1 1 42 42 ARG CD C 13 43.609 0.050 . 1 . . . A 42 ARG CD . 18017 1 430 . 1 1 42 42 ARG N N 15 126.605 0.014 . 1 . . . A 42 ARG N . 18017 1 431 . 1 1 43 43 LEU H H 1 8.903 0.002 . 1 . . . A 43 LEU H . 18017 1 432 . 1 1 43 43 LEU HA H 1 4.319 0.002 . 1 . . . A 43 LEU HA . 18017 1 433 . 1 1 43 43 LEU HB2 H 1 1.049 0.007 . 2 . . . A 43 LEU HB2 . 18017 1 434 . 1 1 43 43 LEU HB3 H 1 1.751 0.008 . 2 . . . A 43 LEU HB3 . 18017 1 435 . 1 1 43 43 LEU HG H 1 1.272 0.006 . 1 . . . A 43 LEU HG . 18017 1 436 . 1 1 43 43 LEU HD11 H 1 0.722 0.004 . 1 . . . A 43 LEU HD11 . 18017 1 437 . 1 1 43 43 LEU HD12 H 1 0.722 0.004 . 1 . . . A 43 LEU HD12 . 18017 1 438 . 1 1 43 43 LEU HD13 H 1 0.722 0.004 . 1 . . . A 43 LEU HD13 . 18017 1 439 . 1 1 43 43 LEU HD21 H 1 0.655 0.008 . 1 . . . A 43 LEU HD21 . 18017 1 440 . 1 1 43 43 LEU HD22 H 1 0.655 0.008 . 1 . . . A 43 LEU HD22 . 18017 1 441 . 1 1 43 43 LEU HD23 H 1 0.655 0.008 . 1 . . . A 43 LEU HD23 . 18017 1 442 . 1 1 43 43 LEU C C 13 175.289 0.156 . 1 . . . A 43 LEU C . 18017 1 443 . 1 1 43 43 LEU CA C 13 54.011 0.169 . 1 . . . A 43 LEU CA . 18017 1 444 . 1 1 43 43 LEU CB C 13 43.209 0.105 . 1 . . . A 43 LEU CB . 18017 1 445 . 1 1 43 43 LEU CG C 13 27.081 0.142 . 1 . . . A 43 LEU CG . 18017 1 446 . 1 1 43 43 LEU CD1 C 13 25.883 0.024 . 2 . . . A 43 LEU CD1 . 18017 1 447 . 1 1 43 43 LEU CD2 C 13 24.612 0.023 . 2 . . . A 43 LEU CD2 . 18017 1 448 . 1 1 43 43 LEU N N 15 127.710 0.031 . 1 . . . A 43 LEU N . 18017 1 449 . 1 1 44 44 ILE H H 1 6.868 0.005 . 1 . . . A 44 ILE H . 18017 1 450 . 1 1 44 44 ILE HA H 1 4.099 0.003 . 1 . . . A 44 ILE HA . 18017 1 451 . 1 1 44 44 ILE HB H 1 1.302 0.006 . 1 . . . A 44 ILE HB . 18017 1 452 . 1 1 44 44 ILE HG12 H 1 1.421 0.005 . 1 . . . A 44 ILE HG12 . 18017 1 453 . 1 1 44 44 ILE HG13 H 1 1.421 0.005 . 1 . . . A 44 ILE HG13 . 18017 1 454 . 1 1 44 44 ILE HG21 H 1 0.805 0.004 . 1 . . . A 44 ILE HG21 . 18017 1 455 . 1 1 44 44 ILE HG22 H 1 0.805 0.004 . 1 . . . A 44 ILE HG22 . 18017 1 456 . 1 1 44 44 ILE HG23 H 1 0.805 0.004 . 1 . . . A 44 ILE HG23 . 18017 1 457 . 1 1 44 44 ILE HD11 H 1 0.787 0.003 . 1 . . . A 44 ILE HD11 . 18017 1 458 . 1 1 44 44 ILE HD12 H 1 0.787 0.003 . 1 . . . A 44 ILE HD12 . 18017 1 459 . 1 1 44 44 ILE HD13 H 1 0.787 0.003 . 1 . . . A 44 ILE HD13 . 18017 1 460 . 1 1 44 44 ILE C C 13 176.243 0.156 . 1 . . . A 44 ILE C . 18017 1 461 . 1 1 44 44 ILE CA C 13 59.798 0.164 . 1 . . . A 44 ILE CA . 18017 1 462 . 1 1 44 44 ILE CB C 13 35.484 0.102 . 1 . . . A 44 ILE CB . 18017 1 463 . 1 1 44 44 ILE CG1 C 13 27.029 0.034 . 1 . . . A 44 ILE CG1 . 18017 1 464 . 1 1 44 44 ILE CG2 C 13 17.597 0.036 . 1 . . . A 44 ILE CG2 . 18017 1 465 . 1 1 44 44 ILE CD1 C 13 9.456 0.029 . 1 . . . A 44 ILE CD1 . 18017 1 466 . 1 1 44 44 ILE N N 15 124.488 0.028 . 1 . . . A 44 ILE N . 18017 1 467 . 1 1 45 45 LYS H H 1 9.033 0.003 . 1 . . . A 45 LYS H . 18017 1 468 . 1 1 45 45 LYS HA H 1 4.709 0.007 . 1 . . . A 45 LYS HA . 18017 1 469 . 1 1 45 45 LYS HB2 H 1 1.385 0.005 . 2 . . . A 45 LYS HB2 . 18017 1 470 . 1 1 45 45 LYS HB3 H 1 1.640 0.008 . 2 . . . A 45 LYS HB3 . 18017 1 471 . 1 1 45 45 LYS HG2 H 1 1.318 0.007 . 1 . . . A 45 LYS HG2 . 18017 1 472 . 1 1 45 45 LYS HG3 H 1 1.318 0.007 . 1 . . . A 45 LYS HG3 . 18017 1 473 . 1 1 45 45 LYS HD2 H 1 1.399 0.003 . 2 . . . A 45 LYS HD2 . 18017 1 474 . 1 1 45 45 LYS HD3 H 1 1.523 0.001 . 2 . . . A 45 LYS HD3 . 18017 1 475 . 1 1 45 45 LYS HE2 H 1 2.846 0.009 . 2 . . . A 45 LYS HE2 . 18017 1 476 . 1 1 45 45 LYS HE3 H 1 2.968 0.015 . 2 . . . A 45 LYS HE3 . 18017 1 477 . 1 1 45 45 LYS C C 13 176.145 0.156 . 1 . . . A 45 LYS C . 18017 1 478 . 1 1 45 45 LYS CA C 13 54.578 0.116 . 1 . . . A 45 LYS CA . 18017 1 479 . 1 1 45 45 LYS CB C 13 35.087 0.017 . 1 . . . A 45 LYS CB . 18017 1 480 . 1 1 45 45 LYS CG C 13 24.566 0.004 . 1 . . . A 45 LYS CG . 18017 1 481 . 1 1 45 45 LYS CD C 13 28.606 0.031 . 1 . . . A 45 LYS CD . 18017 1 482 . 1 1 45 45 LYS CE C 13 42.182 0.162 . 1 . . . A 45 LYS CE . 18017 1 483 . 1 1 45 45 LYS N N 15 129.531 0.010 . 1 . . . A 45 LYS N . 18017 1 484 . 1 1 46 46 ASP H H 1 8.645 0.002 . 1 . . . A 46 ASP H . 18017 1 485 . 1 1 46 46 ASP HA H 1 4.526 0.002 . 1 . . . A 46 ASP HA . 18017 1 486 . 1 1 46 46 ASP HB2 H 1 2.320 0.002 . 2 . . . A 46 ASP HB2 . 18017 1 487 . 1 1 46 46 ASP HB3 H 1 3.008 0.006 . 2 . . . A 46 ASP HB3 . 18017 1 488 . 1 1 46 46 ASP C C 13 177.108 0.156 . 1 . . . A 46 ASP C . 18017 1 489 . 1 1 46 46 ASP CA C 13 53.859 0.223 . 1 . . . A 46 ASP CA . 18017 1 490 . 1 1 46 46 ASP CB C 13 42.891 0.048 . 1 . . . A 46 ASP CB . 18017 1 491 . 1 1 46 46 ASP N N 15 123.192 0.017 . 1 . . . A 46 ASP N . 18017 1 492 . 1 1 47 47 LYS H H 1 8.915 0.002 . 1 . . . A 47 LYS H . 18017 1 493 . 1 1 47 47 LYS HA H 1 3.983 0.003 . 1 . . . A 47 LYS HA . 18017 1 494 . 1 1 47 47 LYS HB2 H 1 1.869 0.002 . 1 . . . A 47 LYS HB2 . 18017 1 495 . 1 1 47 47 LYS HB3 H 1 1.869 0.002 . 1 . . . A 47 LYS HB3 . 18017 1 496 . 1 1 47 47 LYS HG2 H 1 1.485 0.004 . 1 . . . A 47 LYS HG2 . 18017 1 497 . 1 1 47 47 LYS HG3 H 1 1.485 0.004 . 1 . . . A 47 LYS HG3 . 18017 1 498 . 1 1 47 47 LYS HD2 H 1 1.701 0.001 . 1 . . . A 47 LYS HD2 . 18017 1 499 . 1 1 47 47 LYS HD3 H 1 1.701 0.001 . 1 . . . A 47 LYS HD3 . 18017 1 500 . 1 1 47 47 LYS HE2 H 1 3.007 0.004 . 1 . . . A 47 LYS HE2 . 18017 1 501 . 1 1 47 47 LYS HE3 H 1 3.007 0.004 . 1 . . . A 47 LYS HE3 . 18017 1 502 . 1 1 47 47 LYS C C 13 177.408 0.156 . 1 . . . A 47 LYS C . 18017 1 503 . 1 1 47 47 LYS CA C 13 58.805 0.124 . 1 . . . A 47 LYS CA . 18017 1 504 . 1 1 47 47 LYS CB C 13 32.396 0.049 . 1 . . . A 47 LYS CB . 18017 1 505 . 1 1 47 47 LYS CG C 13 25.102 0.047 . 1 . . . A 47 LYS CG . 18017 1 506 . 1 1 47 47 LYS CD C 13 29.057 0.115 . 1 . . . A 47 LYS CD . 18017 1 507 . 1 1 47 47 LYS CE C 13 41.855 0.121 . 1 . . . A 47 LYS CE . 18017 1 508 . 1 1 47 47 LYS N N 15 126.940 0.019 . 1 . . . A 47 LYS N . 18017 1 509 . 1 1 48 48 GLN H H 1 8.615 0.004 . 1 . . . A 48 GLN H . 18017 1 510 . 1 1 48 48 GLN HA H 1 4.316 0.005 . 1 . . . A 48 GLN HA . 18017 1 511 . 1 1 48 48 GLN HB2 H 1 2.196 0.004 . 1 . . . A 48 GLN HB2 . 18017 1 512 . 1 1 48 48 GLN HB3 H 1 2.196 0.004 . 1 . . . A 48 GLN HB3 . 18017 1 513 . 1 1 48 48 GLN HG2 H 1 2.375 0.006 . 1 . . . A 48 GLN HG2 . 18017 1 514 . 1 1 48 48 GLN HG3 H 1 2.375 0.006 . 1 . . . A 48 GLN HG3 . 18017 1 515 . 1 1 48 48 GLN HE21 H 1 6.873 0.001 . 2 . . . A 48 GLN HE21 . 18017 1 516 . 1 1 48 48 GLN HE22 H 1 7.612 0.002 . 2 . . . A 48 GLN HE22 . 18017 1 517 . 1 1 48 48 GLN C C 13 177.822 0.156 . 1 . . . A 48 GLN C . 18017 1 518 . 1 1 48 48 GLN CA C 13 57.946 0.139 . 1 . . . A 48 GLN CA . 18017 1 519 . 1 1 48 48 GLN CB C 13 29.352 0.221 . 1 . . . A 48 GLN CB . 18017 1 520 . 1 1 48 48 GLN CG C 13 34.334 0.083 . 1 . . . A 48 GLN CG . 18017 1 521 . 1 1 48 48 GLN N N 15 116.852 0.021 . 1 . . . A 48 GLN N . 18017 1 522 . 1 1 48 48 GLN NE2 N 15 112.373 0.033 . 1 . . . A 48 GLN NE2 . 18017 1 523 . 1 1 49 49 THR H H 1 8.148 0.002 . 1 . . . A 49 THR H . 18017 1 524 . 1 1 49 49 THR HA H 1 4.337 0.007 . 1 . . . A 49 THR HA . 18017 1 525 . 1 1 49 49 THR HB H 1 4.335 0.002 . 1 . . . A 49 THR HB . 18017 1 526 . 1 1 49 49 THR HG21 H 1 1.177 0.002 . 1 . . . A 49 THR HG21 . 18017 1 527 . 1 1 49 49 THR HG22 H 1 1.177 0.002 . 1 . . . A 49 THR HG22 . 18017 1 528 . 1 1 49 49 THR HG23 H 1 1.177 0.002 . 1 . . . A 49 THR HG23 . 18017 1 529 . 1 1 49 49 THR C C 13 175.848 0.156 . 1 . . . A 49 THR C . 18017 1 530 . 1 1 49 49 THR CA C 13 61.996 0.162 . 1 . . . A 49 THR CA . 18017 1 531 . 1 1 49 49 THR CB C 13 70.662 0.049 . 1 . . . A 49 THR CB . 18017 1 532 . 1 1 49 49 THR CG2 C 13 21.111 0.125 . 1 . . . A 49 THR CG2 . 18017 1 533 . 1 1 49 49 THR N N 15 108.192 0.078 . 1 . . . A 49 THR N . 18017 1 534 . 1 1 50 50 GLN H H 1 8.256 0.004 . 1 . . . A 50 GLN H . 18017 1 535 . 1 1 50 50 GLN HA H 1 3.898 0.004 . 1 . . . A 50 GLN HA . 18017 1 536 . 1 1 50 50 GLN HB2 H 1 2.323 0.005 . 2 . . . A 50 GLN HB2 . 18017 1 537 . 1 1 50 50 GLN HB3 H 1 2.372 0.004 . 2 . . . A 50 GLN HB3 . 18017 1 538 . 1 1 50 50 GLN HG2 H 1 2.240 0.039 . 1 . . . A 50 GLN HG2 . 18017 1 539 . 1 1 50 50 GLN HG3 H 1 2.240 0.039 . 1 . . . A 50 GLN HG3 . 18017 1 540 . 1 1 50 50 GLN HE21 H 1 6.794 0.002 . 2 . . . A 50 GLN HE21 . 18017 1 541 . 1 1 50 50 GLN HE22 H 1 7.437 0.156 . 2 . . . A 50 GLN HE22 . 18017 1 542 . 1 1 50 50 GLN C C 13 174.618 0.156 . 1 . . . A 50 GLN C . 18017 1 543 . 1 1 50 50 GLN CA C 13 57.397 0.112 . 1 . . . A 50 GLN CA . 18017 1 544 . 1 1 50 50 GLN CB C 13 26.124 0.060 . 1 . . . A 50 GLN CB . 18017 1 545 . 1 1 50 50 GLN CG C 13 33.853 0.061 . 1 . . . A 50 GLN CG . 18017 1 546 . 1 1 50 50 GLN N N 15 114.467 0.059 . 1 . . . A 50 GLN N . 18017 1 547 . 1 1 50 50 GLN NE2 N 15 113.374 0.016 . 1 . . . A 50 GLN NE2 . 18017 1 548 . 1 1 51 51 GLN H H 1 7.769 0.002 . 1 . . . A 51 GLN H . 18017 1 549 . 1 1 51 51 GLN HA H 1 4.519 0.004 . 1 . . . A 51 GLN HA . 18017 1 550 . 1 1 51 51 GLN HB2 H 1 1.809 0.005 . 2 . . . A 51 GLN HB2 . 18017 1 551 . 1 1 51 51 GLN HB3 H 1 2.031 0.003 . 2 . . . A 51 GLN HB3 . 18017 1 552 . 1 1 51 51 GLN HG2 H 1 2.204 0.002 . 2 . . . A 51 GLN HG2 . 18017 1 553 . 1 1 51 51 GLN HG3 H 1 2.309 0.005 . 2 . . . A 51 GLN HG3 . 18017 1 554 . 1 1 51 51 GLN HE21 H 1 6.855 0.001 . 2 . . . A 51 GLN HE21 . 18017 1 555 . 1 1 51 51 GLN HE22 H 1 7.480 0.001 . 2 . . . A 51 GLN HE22 . 18017 1 556 . 1 1 51 51 GLN C C 13 175.799 0.156 . 1 . . . A 51 GLN C . 18017 1 557 . 1 1 51 51 GLN CA C 13 54.428 0.105 . 1 . . . A 51 GLN CA . 18017 1 558 . 1 1 51 51 GLN CB C 13 30.296 0.126 . 1 . . . A 51 GLN CB . 18017 1 559 . 1 1 51 51 GLN CG C 13 33.936 0.047 . 1 . . . A 51 GLN CG . 18017 1 560 . 1 1 51 51 GLN N N 15 116.721 0.040 . 1 . . . A 51 GLN N . 18017 1 561 . 1 1 51 51 GLN NE2 N 15 111.766 0.037 . 1 . . . A 51 GLN NE2 . 18017 1 562 . 1 1 52 52 ASN H H 1 8.830 0.002 . 1 . . . A 52 ASN H . 18017 1 563 . 1 1 52 52 ASN HA H 1 4.708 0.004 . 1 . . . A 52 ASN HA . 18017 1 564 . 1 1 52 52 ASN HB2 H 1 2.574 0.002 . 2 . . . A 52 ASN HB2 . 18017 1 565 . 1 1 52 52 ASN HB3 H 1 3.020 0.007 . 2 . . . A 52 ASN HB3 . 18017 1 566 . 1 1 52 52 ASN HD21 H 1 7.315 0.002 . 2 . . . A 52 ASN HD21 . 18017 1 567 . 1 1 52 52 ASN HD22 H 1 7.887 0.002 . 2 . . . A 52 ASN HD22 . 18017 1 568 . 1 1 52 52 ASN C C 13 176.894 0.156 . 1 . . . A 52 ASN C . 18017 1 569 . 1 1 52 52 ASN CA C 13 53.998 0.088 . 1 . . . A 52 ASN CA . 18017 1 570 . 1 1 52 52 ASN CB C 13 37.331 0.088 . 1 . . . A 52 ASN CB . 18017 1 571 . 1 1 52 52 ASN N N 15 119.547 0.022 . 1 . . . A 52 ASN N . 18017 1 572 . 1 1 52 52 ASN ND2 N 15 114.056 0.033 . 1 . . . A 52 ASN ND2 . 18017 1 573 . 1 1 53 53 ARG H H 1 8.420 0.002 . 1 . . . A 53 ARG H . 18017 1 574 . 1 1 53 53 ARG HA H 1 4.203 0.004 . 1 . . . A 53 ARG HA . 18017 1 575 . 1 1 53 53 ARG HB2 H 1 1.190 0.003 . 2 . . . A 53 ARG HB2 . 18017 1 576 . 1 1 53 53 ARG HB3 H 1 1.840 0.003 . 2 . . . A 53 ARG HB3 . 18017 1 577 . 1 1 53 53 ARG HG2 H 1 1.594 0.004 . 1 . . . A 53 ARG HG2 . 18017 1 578 . 1 1 53 53 ARG HG3 H 1 1.594 0.004 . 1 . . . A 53 ARG HG3 . 18017 1 579 . 1 1 53 53 ARG HD2 H 1 3.155 0.001 . 2 . . . A 53 ARG HD2 . 18017 1 580 . 1 1 53 53 ARG HD3 H 1 3.229 0.003 . 2 . . . A 53 ARG HD3 . 18017 1 581 . 1 1 53 53 ARG HE H 1 7.319 0.003 . 1 . . . A 53 ARG HE . 18017 1 582 . 1 1 53 53 ARG C C 13 176.564 0.156 . 1 . . . A 53 ARG C . 18017 1 583 . 1 1 53 53 ARG CA C 13 57.098 0.123 . 1 . . . A 53 ARG CA . 18017 1 584 . 1 1 53 53 ARG CB C 13 30.886 0.054 . 1 . . . A 53 ARG CB . 18017 1 585 . 1 1 53 53 ARG CG C 13 27.695 0.058 . 1 . . . A 53 ARG CG . 18017 1 586 . 1 1 53 53 ARG CD C 13 42.874 0.055 . 1 . . . A 53 ARG CD . 18017 1 587 . 1 1 53 53 ARG N N 15 121.726 0.028 . 1 . . . A 53 ARG N . 18017 1 588 . 1 1 54 54 GLY H H 1 8.700 0.004 . 1 . . . A 54 GLY H . 18017 1 589 . 1 1 54 54 GLY HA2 H 1 3.942 0.004 . 2 . . . A 54 GLY HA2 . 18017 1 590 . 1 1 54 54 GLY HA3 H 1 4.555 0.008 . 2 . . . A 54 GLY HA3 . 18017 1 591 . 1 1 54 54 GLY C C 13 172.016 0.156 . 1 . . . A 54 GLY C . 18017 1 592 . 1 1 54 54 GLY CA C 13 44.902 0.150 . 1 . . . A 54 GLY CA . 18017 1 593 . 1 1 54 54 GLY N N 15 104.268 0.069 . 1 . . . A 54 GLY N . 18017 1 594 . 1 1 55 55 PHE H H 1 6.721 0.004 . 1 . . . A 55 PHE H . 18017 1 595 . 1 1 55 55 PHE HA H 1 5.969 0.012 . 1 . . . A 55 PHE HA . 18017 1 596 . 1 1 55 55 PHE HB2 H 1 2.697 0.003 . 2 . . . A 55 PHE HB2 . 18017 1 597 . 1 1 55 55 PHE HB3 H 1 3.000 0.008 . 2 . . . A 55 PHE HB3 . 18017 1 598 . 1 1 55 55 PHE HD1 H 1 6.691 0.002 . 3 . . . A 55 PHE HD1 . 18017 1 599 . 1 1 55 55 PHE HD2 H 1 6.693 0.156 . 3 . . . A 55 PHE HD2 . 18017 1 600 . 1 1 55 55 PHE C C 13 174.358 0.156 . 1 . . . A 55 PHE C . 18017 1 601 . 1 1 55 55 PHE CA C 13 53.939 0.109 . 1 . . . A 55 PHE CA . 18017 1 602 . 1 1 55 55 PHE CB C 13 42.087 0.056 . 1 . . . A 55 PHE CB . 18017 1 603 . 1 1 55 55 PHE N N 15 114.641 0.032 . 1 . . . A 55 PHE N . 18017 1 604 . 1 1 56 56 ALA H H 1 8.979 0.002 . 1 . . . A 56 ALA H . 18017 1 605 . 1 1 56 56 ALA HA H 1 5.095 0.007 . 1 . . . A 56 ALA HA . 18017 1 606 . 1 1 56 56 ALA HB1 H 1 1.045 0.006 . 1 . . . A 56 ALA HB1 . 18017 1 607 . 1 1 56 56 ALA HB2 H 1 1.045 0.006 . 1 . . . A 56 ALA HB2 . 18017 1 608 . 1 1 56 56 ALA HB3 H 1 1.045 0.006 . 1 . . . A 56 ALA HB3 . 18017 1 609 . 1 1 56 56 ALA C C 13 174.558 0.156 . 1 . . . A 56 ALA C . 18017 1 610 . 1 1 56 56 ALA CA C 13 49.927 0.199 . 1 . . . A 56 ALA CA . 18017 1 611 . 1 1 56 56 ALA CB C 13 22.945 0.072 . 1 . . . A 56 ALA CB . 18017 1 612 . 1 1 56 56 ALA N N 15 122.120 0.005 . 1 . . . A 56 ALA N . 18017 1 613 . 1 1 57 57 PHE H H 1 8.778 0.003 . 1 . . . A 57 PHE H . 18017 1 614 . 1 1 57 57 PHE HA H 1 5.511 0.004 . 1 . . . A 57 PHE HA . 18017 1 615 . 1 1 57 57 PHE HB2 H 1 2.826 0.003 . 2 . . . A 57 PHE HB2 . 18017 1 616 . 1 1 57 57 PHE HB3 H 1 2.918 0.003 . 2 . . . A 57 PHE HB3 . 18017 1 617 . 1 1 57 57 PHE HD1 H 1 7.104 0.004 . 3 . . . A 57 PHE HD1 . 18017 1 618 . 1 1 57 57 PHE HD2 H 1 7.099 0.156 . 3 . . . A 57 PHE HD2 . 18017 1 619 . 1 1 57 57 PHE HE1 H 1 7.107 0.156 . 3 . . . A 57 PHE HE1 . 18017 1 620 . 1 1 57 57 PHE HE2 H 1 7.105 0.156 . 3 . . . A 57 PHE HE2 . 18017 1 621 . 1 1 57 57 PHE C C 13 175.516 0.156 . 1 . . . A 57 PHE C . 18017 1 622 . 1 1 57 57 PHE CA C 13 56.253 0.109 . 1 . . . A 57 PHE CA . 18017 1 623 . 1 1 57 57 PHE CB C 13 41.611 0.055 . 1 . . . A 57 PHE CB . 18017 1 624 . 1 1 57 57 PHE N N 15 118.763 0.026 . 1 . . . A 57 PHE N . 18017 1 625 . 1 1 58 58 VAL H H 1 9.312 0.003 . 1 . . . A 58 VAL H . 18017 1 626 . 1 1 58 58 VAL HA H 1 4.781 0.007 . 1 . . . A 58 VAL HA . 18017 1 627 . 1 1 58 58 VAL HB H 1 1.920 0.004 . 1 . . . A 58 VAL HB . 18017 1 628 . 1 1 58 58 VAL HG11 H 1 0.706 0.001 . 1 . . . A 58 VAL HG11 . 18017 1 629 . 1 1 58 58 VAL HG12 H 1 0.706 0.001 . 1 . . . A 58 VAL HG12 . 18017 1 630 . 1 1 58 58 VAL HG13 H 1 0.706 0.001 . 1 . . . A 58 VAL HG13 . 18017 1 631 . 1 1 58 58 VAL HG21 H 1 0.696 0.002 . 1 . . . A 58 VAL HG21 . 18017 1 632 . 1 1 58 58 VAL HG22 H 1 0.696 0.002 . 1 . . . A 58 VAL HG22 . 18017 1 633 . 1 1 58 58 VAL HG23 H 1 0.696 0.002 . 1 . . . A 58 VAL HG23 . 18017 1 634 . 1 1 58 58 VAL C C 13 173.444 0.156 . 1 . . . A 58 VAL C . 18017 1 635 . 1 1 58 58 VAL CA C 13 61.179 0.198 . 1 . . . A 58 VAL CA . 18017 1 636 . 1 1 58 58 VAL CB C 13 33.526 0.152 . 1 . . . A 58 VAL CB . 18017 1 637 . 1 1 58 58 VAL CG1 C 13 21.656 0.010 . 2 . . . A 58 VAL CG1 . 18017 1 638 . 1 1 58 58 VAL CG2 C 13 20.578 0.012 . 2 . . . A 58 VAL CG2 . 18017 1 639 . 1 1 58 58 VAL N N 15 123.023 0.012 . 1 . . . A 58 VAL N . 18017 1 640 . 1 1 59 59 GLN H H 1 8.907 0.002 . 1 . . . A 59 GLN H . 18017 1 641 . 1 1 59 59 GLN HA H 1 4.888 0.008 . 1 . . . A 59 GLN HA . 18017 1 642 . 1 1 59 59 GLN HB2 H 1 1.803 0.002 . 2 . . . A 59 GLN HB2 . 18017 1 643 . 1 1 59 59 GLN HB3 H 1 2.099 0.009 . 2 . . . A 59 GLN HB3 . 18017 1 644 . 1 1 59 59 GLN HG2 H 1 2.206 0.005 . 2 . . . A 59 GLN HG2 . 18017 1 645 . 1 1 59 59 GLN HG3 H 1 2.266 0.004 . 2 . . . A 59 GLN HG3 . 18017 1 646 . 1 1 59 59 GLN HE21 H 1 6.582 0.156 . 2 . . . A 59 GLN HE21 . 18017 1 647 . 1 1 59 59 GLN HE22 H 1 7.721 0.001 . 2 . . . A 59 GLN HE22 . 18017 1 648 . 1 1 59 59 GLN C C 13 174.677 0.156 . 1 . . . A 59 GLN C . 18017 1 649 . 1 1 59 59 GLN CA C 13 55.204 0.164 . 1 . . . A 59 GLN CA . 18017 1 650 . 1 1 59 59 GLN CB C 13 30.326 0.188 . 1 . . . A 59 GLN CB . 18017 1 651 . 1 1 59 59 GLN CG C 13 33.350 0.059 . 1 . . . A 59 GLN CG . 18017 1 652 . 1 1 59 59 GLN N N 15 129.498 0.021 . 1 . . . A 59 GLN N . 18017 1 653 . 1 1 59 59 GLN NE2 N 15 112.619 0.023 . 1 . . . A 59 GLN NE2 . 18017 1 654 . 1 1 60 60 LEU H H 1 8.774 0.002 . 1 . . . A 60 LEU H . 18017 1 655 . 1 1 60 60 LEU HA H 1 4.862 0.005 . 1 . . . A 60 LEU HA . 18017 1 656 . 1 1 60 60 LEU HB2 H 1 1.855 0.006 . 2 . . . A 60 LEU HB2 . 18017 1 657 . 1 1 60 60 LEU HB3 H 1 2.190 0.005 . 2 . . . A 60 LEU HB3 . 18017 1 658 . 1 1 60 60 LEU HG H 1 1.669 0.005 . 1 . . . A 60 LEU HG . 18017 1 659 . 1 1 60 60 LEU HD11 H 1 0.944 0.001 . 1 . . . A 60 LEU HD11 . 18017 1 660 . 1 1 60 60 LEU HD12 H 1 0.944 0.001 . 1 . . . A 60 LEU HD12 . 18017 1 661 . 1 1 60 60 LEU HD13 H 1 0.944 0.001 . 1 . . . A 60 LEU HD13 . 18017 1 662 . 1 1 60 60 LEU HD21 H 1 0.922 0.007 . 1 . . . A 60 LEU HD21 . 18017 1 663 . 1 1 60 60 LEU HD22 H 1 0.922 0.007 . 1 . . . A 60 LEU HD22 . 18017 1 664 . 1 1 60 60 LEU HD23 H 1 0.922 0.007 . 1 . . . A 60 LEU HD23 . 18017 1 665 . 1 1 60 60 LEU C C 13 177.248 0.156 . 1 . . . A 60 LEU C . 18017 1 666 . 1 1 60 60 LEU CA C 13 53.243 0.106 . 1 . . . A 60 LEU CA . 18017 1 667 . 1 1 60 60 LEU CB C 13 41.995 0.041 . 1 . . . A 60 LEU CB . 18017 1 668 . 1 1 60 60 LEU CG C 13 29.258 0.026 . 1 . . . A 60 LEU CG . 18017 1 669 . 1 1 60 60 LEU CD1 C 13 25.241 0.033 . 2 . . . A 60 LEU CD1 . 18017 1 670 . 1 1 60 60 LEU CD2 C 13 23.954 0.017 . 2 . . . A 60 LEU CD2 . 18017 1 671 . 1 1 60 60 LEU N N 15 127.718 0.019 . 1 . . . A 60 LEU N . 18017 1 672 . 1 1 61 61 SER H H 1 8.792 0.002 . 1 . . . A 61 SER H . 18017 1 673 . 1 1 61 61 SER HA H 1 4.192 0.002 . 1 . . . A 61 SER HA . 18017 1 674 . 1 1 61 61 SER HB2 H 1 3.966 0.001 . 2 . . . A 61 SER HB2 . 18017 1 675 . 1 1 61 61 SER HB3 H 1 4.009 0.002 . 2 . . . A 61 SER HB3 . 18017 1 676 . 1 1 61 61 SER C C 13 173.839 0.156 . 1 . . . A 61 SER C . 18017 1 677 . 1 1 61 61 SER CA C 13 60.890 0.168 . 1 . . . A 61 SER CA . 18017 1 678 . 1 1 61 61 SER CB C 13 63.642 0.125 . 1 . . . A 61 SER CB . 18017 1 679 . 1 1 61 61 SER N N 15 112.701 0.067 . 1 . . . A 61 SER N . 18017 1 680 . 1 1 62 62 SER H H 1 7.550 0.002 . 1 . . . A 62 SER H . 18017 1 681 . 1 1 62 62 SER HA H 1 4.770 0.002 . 1 . . . A 62 SER HA . 18017 1 682 . 1 1 62 62 SER HB2 H 1 4.044 0.004 . 2 . . . A 62 SER HB2 . 18017 1 683 . 1 1 62 62 SER HB3 H 1 4.172 0.004 . 2 . . . A 62 SER HB3 . 18017 1 684 . 1 1 62 62 SER C C 13 174.043 0.156 . 1 . . . A 62 SER C . 18017 1 685 . 1 1 62 62 SER CA C 13 56.839 0.125 . 1 . . . A 62 SER CA . 18017 1 686 . 1 1 62 62 SER CB C 13 66.356 0.073 . 1 . . . A 62 SER CB . 18017 1 687 . 1 1 62 62 SER N N 15 110.256 0.075 . 1 . . . A 62 SER N . 18017 1 688 . 1 1 63 63 ALA H H 1 9.151 0.003 . 1 . . . A 63 ALA H . 18017 1 689 . 1 1 63 63 ALA HA H 1 4.384 0.004 . 1 . . . A 63 ALA HA . 18017 1 690 . 1 1 63 63 ALA HB1 H 1 1.363 0.005 . 1 . . . A 63 ALA HB1 . 18017 1 691 . 1 1 63 63 ALA HB2 H 1 1.363 0.005 . 1 . . . A 63 ALA HB2 . 18017 1 692 . 1 1 63 63 ALA HB3 H 1 1.363 0.005 . 1 . . . A 63 ALA HB3 . 18017 1 693 . 1 1 63 63 ALA C C 13 180.168 0.156 . 1 . . . A 63 ALA C . 18017 1 694 . 1 1 63 63 ALA CA C 13 54.544 0.089 . 1 . . . A 63 ALA CA . 18017 1 695 . 1 1 63 63 ALA CB C 13 18.284 0.017 . 1 . . . A 63 ALA CB . 18017 1 696 . 1 1 63 63 ALA N N 15 125.064 0.014 . 1 . . . A 63 ALA N . 18017 1 697 . 1 1 64 64 MET H H 1 8.423 0.003 . 1 . . . A 64 MET H . 18017 1 698 . 1 1 64 64 MET HA H 1 4.270 0.004 . 1 . . . A 64 MET HA . 18017 1 699 . 1 1 64 64 MET HB2 H 1 2.064 0.004 . 2 . . . A 64 MET HB2 . 18017 1 700 . 1 1 64 64 MET HB3 H 1 2.578 0.004 . 2 . . . A 64 MET HB3 . 18017 1 701 . 1 1 64 64 MET HG2 H 1 2.059 0.001 . 1 . . . A 64 MET HG2 . 18017 1 702 . 1 1 64 64 MET HG3 H 1 2.059 0.001 . 1 . . . A 64 MET HG3 . 18017 1 703 . 1 1 64 64 MET HE1 H 1 2.079 0.156 . 1 . . . A 64 MET HE1 . 18017 1 704 . 1 1 64 64 MET HE2 H 1 2.079 0.156 . 1 . . . A 64 MET HE2 . 18017 1 705 . 1 1 64 64 MET HE3 H 1 2.079 0.156 . 1 . . . A 64 MET HE3 . 18017 1 706 . 1 1 64 64 MET C C 13 178.312 0.156 . 1 . . . A 64 MET C . 18017 1 707 . 1 1 64 64 MET CA C 13 58.653 0.134 . 1 . . . A 64 MET CA . 18017 1 708 . 1 1 64 64 MET CB C 13 32.010 0.145 . 1 . . . A 64 MET CB . 18017 1 709 . 1 1 64 64 MET CG C 13 31.642 0.008 . 1 . . . A 64 MET CG . 18017 1 710 . 1 1 64 64 MET CE C 13 16.902 0.156 . 1 . . . A 64 MET CE . 18017 1 711 . 1 1 64 64 MET N N 15 119.416 0.047 . 1 . . . A 64 MET N . 18017 1 712 . 1 1 65 65 ASP H H 1 7.984 0.004 . 1 . . . A 65 ASP H . 18017 1 713 . 1 1 65 65 ASP HA H 1 4.415 0.004 . 1 . . . A 65 ASP HA . 18017 1 714 . 1 1 65 65 ASP HB2 H 1 2.701 0.003 . 1 . . . A 65 ASP HB2 . 18017 1 715 . 1 1 65 65 ASP HB3 H 1 2.701 0.003 . 1 . . . A 65 ASP HB3 . 18017 1 716 . 1 1 65 65 ASP C C 13 179.109 0.156 . 1 . . . A 65 ASP C . 18017 1 717 . 1 1 65 65 ASP CA C 13 57.239 0.160 . 1 . . . A 65 ASP CA . 18017 1 718 . 1 1 65 65 ASP CB C 13 40.947 0.040 . 1 . . . A 65 ASP CB . 18017 1 719 . 1 1 65 65 ASP N N 15 120.309 0.029 . 1 . . . A 65 ASP N . 18017 1 720 . 1 1 66 66 ALA H H 1 8.023 0.004 . 1 . . . A 66 ALA H . 18017 1 721 . 1 1 66 66 ALA HA H 1 4.027 0.003 . 1 . . . A 66 ALA HA . 18017 1 722 . 1 1 66 66 ALA HB1 H 1 1.686 0.007 . 1 . . . A 66 ALA HB1 . 18017 1 723 . 1 1 66 66 ALA HB2 H 1 1.686 0.007 . 1 . . . A 66 ALA HB2 . 18017 1 724 . 1 1 66 66 ALA HB3 H 1 1.686 0.007 . 1 . . . A 66 ALA HB3 . 18017 1 725 . 1 1 66 66 ALA C C 13 178.172 0.156 . 1 . . . A 66 ALA C . 18017 1 726 . 1 1 66 66 ALA CA C 13 55.789 0.085 . 1 . . . A 66 ALA CA . 18017 1 727 . 1 1 66 66 ALA CB C 13 18.267 0.023 . 1 . . . A 66 ALA CB . 18017 1 728 . 1 1 66 66 ALA N N 15 122.883 0.017 . 1 . . . A 66 ALA N . 18017 1 729 . 1 1 67 67 SER H H 1 8.562 0.003 . 1 . . . A 67 SER H . 18017 1 730 . 1 1 67 67 SER HA H 1 4.228 0.020 . 1 . . . A 67 SER HA . 18017 1 731 . 1 1 67 67 SER HB2 H 1 4.135 0.002 . 2 . . . A 67 SER HB2 . 18017 1 732 . 1 1 67 67 SER HB3 H 1 4.185 0.156 . 2 . . . A 67 SER HB3 . 18017 1 733 . 1 1 67 67 SER C C 13 177.181 0.156 . 1 . . . A 67 SER C . 18017 1 734 . 1 1 67 67 SER CA C 13 62.615 0.039 . 1 . . . A 67 SER CA . 18017 1 735 . 1 1 67 67 SER CB C 13 62.644 0.079 . 1 . . . A 67 SER CB . 18017 1 736 . 1 1 67 67 SER N N 15 112.975 0.066 . 1 . . . A 67 SER N . 18017 1 737 . 1 1 68 68 GLN H H 1 8.175 0.005 . 1 . . . A 68 GLN H . 18017 1 738 . 1 1 68 68 GLN HA H 1 4.093 0.002 . 1 . . . A 68 GLN HA . 18017 1 739 . 1 1 68 68 GLN HB2 H 1 2.144 0.003 . 2 . . . A 68 GLN HB2 . 18017 1 740 . 1 1 68 68 GLN HB3 H 1 2.224 0.002 . 2 . . . A 68 GLN HB3 . 18017 1 741 . 1 1 68 68 GLN HG2 H 1 2.410 0.002 . 2 . . . A 68 GLN HG2 . 18017 1 742 . 1 1 68 68 GLN HG3 H 1 2.552 0.005 . 2 . . . A 68 GLN HG3 . 18017 1 743 . 1 1 68 68 GLN HE21 H 1 6.877 0.002 . 2 . . . A 68 GLN HE21 . 18017 1 744 . 1 1 68 68 GLN HE22 H 1 7.442 0.001 . 2 . . . A 68 GLN HE22 . 18017 1 745 . 1 1 68 68 GLN C C 13 178.197 0.156 . 1 . . . A 68 GLN C . 18017 1 746 . 1 1 68 68 GLN CA C 13 58.937 0.124 . 1 . . . A 68 GLN CA . 18017 1 747 . 1 1 68 68 GLN CB C 13 28.564 0.091 . 1 . . . A 68 GLN CB . 18017 1 748 . 1 1 68 68 GLN CG C 13 34.266 0.058 . 1 . . . A 68 GLN CG . 18017 1 749 . 1 1 68 68 GLN N N 15 120.520 0.013 . 1 . . . A 68 GLN N . 18017 1 750 . 1 1 68 68 GLN NE2 N 15 111.730 0.036 . 1 . . . A 68 GLN NE2 . 18017 1 751 . 1 1 69 69 LEU H H 1 7.924 0.003 . 1 . . . A 69 LEU H . 18017 1 752 . 1 1 69 69 LEU HA H 1 4.194 0.003 . 1 . . . A 69 LEU HA . 18017 1 753 . 1 1 69 69 LEU HB2 H 1 1.628 0.007 . 2 . . . A 69 LEU HB2 . 18017 1 754 . 1 1 69 69 LEU HB3 H 1 1.827 0.006 . 2 . . . A 69 LEU HB3 . 18017 1 755 . 1 1 69 69 LEU HG H 1 1.380 0.005 . 1 . . . A 69 LEU HG . 18017 1 756 . 1 1 69 69 LEU HD11 H 1 0.854 0.007 . 1 . . . A 69 LEU HD11 . 18017 1 757 . 1 1 69 69 LEU HD12 H 1 0.854 0.007 . 1 . . . A 69 LEU HD12 . 18017 1 758 . 1 1 69 69 LEU HD13 H 1 0.854 0.007 . 1 . . . A 69 LEU HD13 . 18017 1 759 . 1 1 69 69 LEU HD21 H 1 0.951 0.004 . 1 . . . A 69 LEU HD21 . 18017 1 760 . 1 1 69 69 LEU HD22 H 1 0.951 0.004 . 1 . . . A 69 LEU HD22 . 18017 1 761 . 1 1 69 69 LEU HD23 H 1 0.951 0.004 . 1 . . . A 69 LEU HD23 . 18017 1 762 . 1 1 69 69 LEU C C 13 177.898 0.156 . 1 . . . A 69 LEU C . 18017 1 763 . 1 1 69 69 LEU CA C 13 57.533 0.103 . 1 . . . A 69 LEU CA . 18017 1 764 . 1 1 69 69 LEU CB C 13 40.602 0.036 . 1 . . . A 69 LEU CB . 18017 1 765 . 1 1 69 69 LEU CG C 13 27.104 0.187 . 1 . . . A 69 LEU CG . 18017 1 766 . 1 1 69 69 LEU CD1 C 13 26.822 0.033 . 2 . . . A 69 LEU CD1 . 18017 1 767 . 1 1 69 69 LEU CD2 C 13 23.550 0.014 . 2 . . . A 69 LEU CD2 . 18017 1 768 . 1 1 69 69 LEU N N 15 119.631 0.018 . 1 . . . A 69 LEU N . 18017 1 769 . 1 1 70 70 LEU H H 1 8.405 0.003 . 1 . . . A 70 LEU H . 18017 1 770 . 1 1 70 70 LEU HA H 1 3.562 0.005 . 1 . . . A 70 LEU HA . 18017 1 771 . 1 1 70 70 LEU HB2 H 1 1.215 0.003 . 2 . . . A 70 LEU HB2 . 18017 1 772 . 1 1 70 70 LEU HB3 H 1 1.541 0.006 . 2 . . . A 70 LEU HB3 . 18017 1 773 . 1 1 70 70 LEU HG H 1 1.145 0.016 . 1 . . . A 70 LEU HG . 18017 1 774 . 1 1 70 70 LEU HD11 H 1 0.300 0.003 . 1 . . . A 70 LEU HD11 . 18017 1 775 . 1 1 70 70 LEU HD12 H 1 0.300 0.003 . 1 . . . A 70 LEU HD12 . 18017 1 776 . 1 1 70 70 LEU HD13 H 1 0.300 0.003 . 1 . . . A 70 LEU HD13 . 18017 1 777 . 1 1 70 70 LEU HD21 H 1 0.156 0.002 . 1 . . . A 70 LEU HD21 . 18017 1 778 . 1 1 70 70 LEU HD22 H 1 0.156 0.002 . 1 . . . A 70 LEU HD22 . 18017 1 779 . 1 1 70 70 LEU HD23 H 1 0.156 0.002 . 1 . . . A 70 LEU HD23 . 18017 1 780 . 1 1 70 70 LEU C C 13 177.977 0.156 . 1 . . . A 70 LEU C . 18017 1 781 . 1 1 70 70 LEU CA C 13 59.204 0.045 . 1 . . . A 70 LEU CA . 18017 1 782 . 1 1 70 70 LEU CB C 13 41.189 0.037 . 1 . . . A 70 LEU CB . 18017 1 783 . 1 1 70 70 LEU CG C 13 26.380 0.015 . 1 . . . A 70 LEU CG . 18017 1 784 . 1 1 70 70 LEU CD1 C 13 25.052 0.012 . 2 . . . A 70 LEU CD1 . 18017 1 785 . 1 1 70 70 LEU CD2 C 13 24.818 0.021 . 2 . . . A 70 LEU CD2 . 18017 1 786 . 1 1 70 70 LEU N N 15 119.649 0.027 . 1 . . . A 70 LEU N . 18017 1 787 . 1 1 71 71 GLN H H 1 7.768 0.003 . 1 . . . A 71 GLN H . 18017 1 788 . 1 1 71 71 GLN HA H 1 3.938 0.003 . 1 . . . A 71 GLN HA . 18017 1 789 . 1 1 71 71 GLN HB2 H 1 2.138 0.005 . 1 . . . A 71 GLN HB2 . 18017 1 790 . 1 1 71 71 GLN HB3 H 1 2.138 0.005 . 1 . . . A 71 GLN HB3 . 18017 1 791 . 1 1 71 71 GLN HG2 H 1 2.326 0.006 . 2 . . . A 71 GLN HG2 . 18017 1 792 . 1 1 71 71 GLN HG3 H 1 2.508 0.012 . 2 . . . A 71 GLN HG3 . 18017 1 793 . 1 1 71 71 GLN HE21 H 1 6.807 0.001 . 2 . . . A 71 GLN HE21 . 18017 1 794 . 1 1 71 71 GLN HE22 H 1 7.313 0.156 . 2 . . . A 71 GLN HE22 . 18017 1 795 . 1 1 71 71 GLN C C 13 179.411 0.156 . 1 . . . A 71 GLN C . 18017 1 796 . 1 1 71 71 GLN CA C 13 59.029 0.126 . 1 . . . A 71 GLN CA . 18017 1 797 . 1 1 71 71 GLN CB C 13 28.425 0.080 . 1 . . . A 71 GLN CB . 18017 1 798 . 1 1 71 71 GLN CG C 13 34.118 0.069 . 1 . . . A 71 GLN CG . 18017 1 799 . 1 1 71 71 GLN N N 15 116.221 0.050 . 1 . . . A 71 GLN N . 18017 1 800 . 1 1 71 71 GLN NE2 N 15 111.526 0.052 . 1 . . . A 71 GLN NE2 . 18017 1 801 . 1 1 72 72 ILE H H 1 7.813 0.004 . 1 . . . A 72 ILE H . 18017 1 802 . 1 1 72 72 ILE HA H 1 3.605 0.002 . 1 . . . A 72 ILE HA . 18017 1 803 . 1 1 72 72 ILE HB H 1 1.907 0.004 . 1 . . . A 72 ILE HB . 18017 1 804 . 1 1 72 72 ILE HG12 H 1 1.102 0.007 . 2 . . . A 72 ILE HG12 . 18017 1 805 . 1 1 72 72 ILE HG13 H 1 1.785 0.009 . 2 . . . A 72 ILE HG13 . 18017 1 806 . 1 1 72 72 ILE HG21 H 1 0.597 0.004 . 1 . . . A 72 ILE HG21 . 18017 1 807 . 1 1 72 72 ILE HG22 H 1 0.597 0.004 . 1 . . . A 72 ILE HG22 . 18017 1 808 . 1 1 72 72 ILE HG23 H 1 0.597 0.004 . 1 . . . A 72 ILE HG23 . 18017 1 809 . 1 1 72 72 ILE HD11 H 1 0.957 0.005 . 1 . . . A 72 ILE HD11 . 18017 1 810 . 1 1 72 72 ILE HD12 H 1 0.957 0.005 . 1 . . . A 72 ILE HD12 . 18017 1 811 . 1 1 72 72 ILE HD13 H 1 0.957 0.005 . 1 . . . A 72 ILE HD13 . 18017 1 812 . 1 1 72 72 ILE C C 13 179.379 0.156 . 1 . . . A 72 ILE C . 18017 1 813 . 1 1 72 72 ILE CA C 13 64.659 0.108 . 1 . . . A 72 ILE CA . 18017 1 814 . 1 1 72 72 ILE CB C 13 38.253 0.101 . 1 . . . A 72 ILE CB . 18017 1 815 . 1 1 72 72 ILE CG1 C 13 29.180 0.094 . 1 . . . A 72 ILE CG1 . 18017 1 816 . 1 1 72 72 ILE CG2 C 13 16.974 0.032 . 1 . . . A 72 ILE CG2 . 18017 1 817 . 1 1 72 72 ILE CD1 C 13 13.584 0.016 . 1 . . . A 72 ILE CD1 . 18017 1 818 . 1 1 72 72 ILE N N 15 120.460 0.020 . 1 . . . A 72 ILE N . 18017 1 819 . 1 1 73 73 LEU H H 1 8.559 0.002 . 1 . . . A 73 LEU H . 18017 1 820 . 1 1 73 73 LEU HA H 1 3.796 0.002 . 1 . . . A 73 LEU HA . 18017 1 821 . 1 1 73 73 LEU HB2 H 1 1.224 0.021 . 2 . . . A 73 LEU HB2 . 18017 1 822 . 1 1 73 73 LEU HB3 H 1 1.815 0.007 . 2 . . . A 73 LEU HB3 . 18017 1 823 . 1 1 73 73 LEU HG H 1 1.912 0.006 . 1 . . . A 73 LEU HG . 18017 1 824 . 1 1 73 73 LEU HD11 H 1 0.679 0.009 . 1 . . . A 73 LEU HD11 . 18017 1 825 . 1 1 73 73 LEU HD12 H 1 0.679 0.009 . 1 . . . A 73 LEU HD12 . 18017 1 826 . 1 1 73 73 LEU HD13 H 1 0.679 0.009 . 1 . . . A 73 LEU HD13 . 18017 1 827 . 1 1 73 73 LEU HD21 H 1 0.522 0.004 . 1 . . . A 73 LEU HD21 . 18017 1 828 . 1 1 73 73 LEU HD22 H 1 0.522 0.004 . 1 . . . A 73 LEU HD22 . 18017 1 829 . 1 1 73 73 LEU HD23 H 1 0.522 0.004 . 1 . . . A 73 LEU HD23 . 18017 1 830 . 1 1 73 73 LEU C C 13 179.986 0.156 . 1 . . . A 73 LEU C . 18017 1 831 . 1 1 73 73 LEU CA C 13 57.497 0.118 . 1 . . . A 73 LEU CA . 18017 1 832 . 1 1 73 73 LEU CB C 13 41.805 0.024 . 1 . . . A 73 LEU CB . 18017 1 833 . 1 1 73 73 LEU CG C 13 26.066 0.056 . 1 . . . A 73 LEU CG . 18017 1 834 . 1 1 73 73 LEU CD1 C 13 22.327 0.019 . 2 . . . A 73 LEU CD1 . 18017 1 835 . 1 1 73 73 LEU CD2 C 13 22.148 0.008 . 2 . . . A 73 LEU CD2 . 18017 1 836 . 1 1 73 73 LEU N N 15 117.930 0.029 . 1 . . . A 73 LEU N . 18017 1 837 . 1 1 74 74 GLN H H 1 8.532 0.001 . 1 . . . A 74 GLN H . 18017 1 838 . 1 1 74 74 GLN HA H 1 4.078 0.002 . 1 . . . A 74 GLN HA . 18017 1 839 . 1 1 74 74 GLN HB2 H 1 2.038 0.004 . 1 . . . A 74 GLN HB2 . 18017 1 840 . 1 1 74 74 GLN HB3 H 1 2.038 0.004 . 1 . . . A 74 GLN HB3 . 18017 1 841 . 1 1 74 74 GLN HG2 H 1 2.349 0.002 . 2 . . . A 74 GLN HG2 . 18017 1 842 . 1 1 74 74 GLN HG3 H 1 2.557 0.004 . 2 . . . A 74 GLN HG3 . 18017 1 843 . 1 1 74 74 GLN HE21 H 1 6.877 0.001 . 2 . . . A 74 GLN HE21 . 18017 1 844 . 1 1 74 74 GLN HE22 H 1 7.120 0.002 . 2 . . . A 74 GLN HE22 . 18017 1 845 . 1 1 74 74 GLN C C 13 177.298 0.156 . 1 . . . A 74 GLN C . 18017 1 846 . 1 1 74 74 GLN CA C 13 58.250 0.121 . 1 . . . A 74 GLN CA . 18017 1 847 . 1 1 74 74 GLN CB C 13 28.302 0.107 . 1 . . . A 74 GLN CB . 18017 1 848 . 1 1 74 74 GLN CG C 13 34.534 0.073 . 1 . . . A 74 GLN CG . 18017 1 849 . 1 1 74 74 GLN N N 15 115.826 0.030 . 1 . . . A 74 GLN N . 18017 1 850 . 1 1 74 74 GLN NE2 N 15 110.495 0.035 . 1 . . . A 74 GLN NE2 . 18017 1 851 . 1 1 75 75 SER H H 1 7.440 0.002 . 1 . . . A 75 SER H . 18017 1 852 . 1 1 75 75 SER HA H 1 4.507 0.003 . 1 . . . A 75 SER HA . 18017 1 853 . 1 1 75 75 SER HB2 H 1 3.970 0.005 . 1 . . . A 75 SER HB2 . 18017 1 854 . 1 1 75 75 SER HB3 H 1 3.970 0.005 . 1 . . . A 75 SER HB3 . 18017 1 855 . 1 1 75 75 SER C C 13 173.692 0.156 . 1 . . . A 75 SER C . 18017 1 856 . 1 1 75 75 SER CA C 13 58.407 0.088 . 1 . . . A 75 SER CA . 18017 1 857 . 1 1 75 75 SER CB C 13 64.275 0.100 . 1 . . . A 75 SER CB . 18017 1 858 . 1 1 75 75 SER N N 15 113.277 0.068 . 1 . . . A 75 SER N . 18017 1 859 . 1 1 76 76 LEU H H 1 6.786 0.002 . 1 . . . A 76 LEU H . 18017 1 860 . 1 1 76 76 LEU HA H 1 3.987 0.003 . 1 . . . A 76 LEU HA . 18017 1 861 . 1 1 76 76 LEU HB2 H 1 1.527 0.007 . 2 . . . A 76 LEU HB2 . 18017 1 862 . 1 1 76 76 LEU HB3 H 1 1.629 0.002 . 2 . . . A 76 LEU HB3 . 18017 1 863 . 1 1 76 76 LEU HG H 1 1.917 0.003 . 1 . . . A 76 LEU HG . 18017 1 864 . 1 1 76 76 LEU HD11 H 1 0.712 0.006 . 1 . . . A 76 LEU HD11 . 18017 1 865 . 1 1 76 76 LEU HD12 H 1 0.712 0.006 . 1 . . . A 76 LEU HD12 . 18017 1 866 . 1 1 76 76 LEU HD13 H 1 0.712 0.006 . 1 . . . A 76 LEU HD13 . 18017 1 867 . 1 1 76 76 LEU HD21 H 1 0.672 0.003 . 1 . . . A 76 LEU HD21 . 18017 1 868 . 1 1 76 76 LEU HD22 H 1 0.672 0.003 . 1 . . . A 76 LEU HD22 . 18017 1 869 . 1 1 76 76 LEU HD23 H 1 0.672 0.003 . 1 . . . A 76 LEU HD23 . 18017 1 870 . 1 1 76 76 LEU C C 13 176.401 0.156 . 1 . . . A 76 LEU C . 18017 1 871 . 1 1 76 76 LEU CA C 13 56.010 0.120 . 1 . . . A 76 LEU CA . 18017 1 872 . 1 1 76 76 LEU CB C 13 42.701 0.029 . 1 . . . A 76 LEU CB . 18017 1 873 . 1 1 76 76 LEU CG C 13 25.649 0.070 . 1 . . . A 76 LEU CG . 18017 1 874 . 1 1 76 76 LEU CD1 C 13 25.446 0.034 . 2 . . . A 76 LEU CD1 . 18017 1 875 . 1 1 76 76 LEU CD2 C 13 22.334 0.053 . 2 . . . A 76 LEU CD2 . 18017 1 876 . 1 1 76 76 LEU N N 15 123.030 0.015 . 1 . . . A 76 LEU N . 18017 1 877 . 1 1 77 77 HIS H H 1 8.357 0.003 . 1 . . . A 77 HIS H . 18017 1 878 . 1 1 77 77 HIS HA H 1 4.493 0.002 . 1 . . . A 77 HIS HA . 18017 1 879 . 1 1 77 77 HIS HB2 H 1 2.972 0.006 . 2 . . . A 77 HIS HB2 . 18017 1 880 . 1 1 77 77 HIS HB3 H 1 3.050 0.005 . 2 . . . A 77 HIS HB3 . 18017 1 881 . 1 1 77 77 HIS CA C 13 53.740 0.156 . 1 . . . A 77 HIS CA . 18017 1 882 . 1 1 77 77 HIS CB C 13 31.580 0.091 . 1 . . . A 77 HIS CB . 18017 1 883 . 1 1 77 77 HIS N N 15 120.900 0.023 . 1 . . . A 77 HIS N . 18017 1 884 . 1 1 78 78 PRO HA H 1 4.627 0.003 . 1 . . . A 78 PRO HA . 18017 1 885 . 1 1 78 78 PRO HB2 H 1 2.359 0.004 . 2 . . . A 78 PRO HB2 . 18017 1 886 . 1 1 78 78 PRO HB3 H 1 2.043 0.005 . 2 . . . A 78 PRO HB3 . 18017 1 887 . 1 1 78 78 PRO HG2 H 1 1.913 0.156 . 1 . . . A 78 PRO HG2 . 18017 1 888 . 1 1 78 78 PRO HG3 H 1 1.913 0.156 . 1 . . . A 78 PRO HG3 . 18017 1 889 . 1 1 78 78 PRO HD2 H 1 3.507 0.156 . 2 . . . A 78 PRO HD2 . 18017 1 890 . 1 1 78 78 PRO HD3 H 1 3.736 0.001 . 2 . . . A 78 PRO HD3 . 18017 1 891 . 1 1 78 78 PRO CA C 13 62.448 0.006 . 1 . . . A 78 PRO CA . 18017 1 892 . 1 1 78 78 PRO CB C 13 32.844 0.103 . 1 . . . A 78 PRO CB . 18017 1 893 . 1 1 78 78 PRO CG C 13 27.683 0.156 . 1 . . . A 78 PRO CG . 18017 1 894 . 1 1 78 78 PRO CD C 13 50.149 0.156 . 1 . . . A 78 PRO CD . 18017 1 895 . 1 1 79 79 PRO HA H 1 4.231 0.004 . 1 . . . A 79 PRO HA . 18017 1 896 . 1 1 79 79 PRO HB2 H 1 2.352 0.006 . 2 . . . A 79 PRO HB2 . 18017 1 897 . 1 1 79 79 PRO HB3 H 1 1.822 0.005 . 2 . . . A 79 PRO HB3 . 18017 1 898 . 1 1 79 79 PRO HG2 H 1 1.895 0.156 . 2 . . . A 79 PRO HG2 . 18017 1 899 . 1 1 79 79 PRO HG3 H 1 2.002 0.002 . 2 . . . A 79 PRO HG3 . 18017 1 900 . 1 1 79 79 PRO HD2 H 1 3.508 0.003 . 2 . . . A 79 PRO HD2 . 18017 1 901 . 1 1 79 79 PRO HD3 H 1 3.737 0.003 . 2 . . . A 79 PRO HD3 . 18017 1 902 . 1 1 79 79 PRO C C 13 175.799 0.156 . 1 . . . A 79 PRO C . 18017 1 903 . 1 1 79 79 PRO CA C 13 62.624 0.119 . 1 . . . A 79 PRO CA . 18017 1 904 . 1 1 79 79 PRO CB C 13 32.593 0.078 . 1 . . . A 79 PRO CB . 18017 1 905 . 1 1 79 79 PRO CG C 13 27.638 0.094 . 1 . . . A 79 PRO CG . 18017 1 906 . 1 1 79 79 PRO CD C 13 50.153 0.070 . 1 . . . A 79 PRO CD . 18017 1 907 . 1 1 80 80 LEU H H 1 8.384 0.004 . 1 . . . A 80 LEU H . 18017 1 908 . 1 1 80 80 LEU HA H 1 3.971 0.003 . 1 . . . A 80 LEU HA . 18017 1 909 . 1 1 80 80 LEU HB2 H 1 1.300 0.004 . 2 . . . A 80 LEU HB2 . 18017 1 910 . 1 1 80 80 LEU HB3 H 1 1.774 0.012 . 2 . . . A 80 LEU HB3 . 18017 1 911 . 1 1 80 80 LEU HG H 1 1.300 0.002 . 1 . . . A 80 LEU HG . 18017 1 912 . 1 1 80 80 LEU HD11 H 1 0.880 0.005 . 1 . . . A 80 LEU HD11 . 18017 1 913 . 1 1 80 80 LEU HD12 H 1 0.880 0.005 . 1 . . . A 80 LEU HD12 . 18017 1 914 . 1 1 80 80 LEU HD13 H 1 0.880 0.005 . 1 . . . A 80 LEU HD13 . 18017 1 915 . 1 1 80 80 LEU HD21 H 1 0.693 0.004 . 1 . . . A 80 LEU HD21 . 18017 1 916 . 1 1 80 80 LEU HD22 H 1 0.693 0.004 . 1 . . . A 80 LEU HD22 . 18017 1 917 . 1 1 80 80 LEU HD23 H 1 0.693 0.004 . 1 . . . A 80 LEU HD23 . 18017 1 918 . 1 1 80 80 LEU C C 13 174.875 0.156 . 1 . . . A 80 LEU C . 18017 1 919 . 1 1 80 80 LEU CA C 13 56.171 0.093 . 1 . . . A 80 LEU CA . 18017 1 920 . 1 1 80 80 LEU CB C 13 42.675 0.019 . 1 . . . A 80 LEU CB . 18017 1 921 . 1 1 80 80 LEU CG C 13 26.840 0.198 . 1 . . . A 80 LEU CG . 18017 1 922 . 1 1 80 80 LEU CD1 C 13 23.194 0.018 . 2 . . . A 80 LEU CD1 . 18017 1 923 . 1 1 80 80 LEU CD2 C 13 26.457 0.029 . 2 . . . A 80 LEU CD2 . 18017 1 924 . 1 1 80 80 LEU N N 15 121.651 0.021 . 1 . . . A 80 LEU N . 18017 1 925 . 1 1 81 81 LYS H H 1 8.042 0.003 . 1 . . . A 81 LYS H . 18017 1 926 . 1 1 81 81 LYS HA H 1 5.450 0.006 . 1 . . . A 81 LYS HA . 18017 1 927 . 1 1 81 81 LYS HB2 H 1 1.358 0.004 . 2 . . . A 81 LYS HB2 . 18017 1 928 . 1 1 81 81 LYS HB3 H 1 1.564 0.006 . 2 . . . A 81 LYS HB3 . 18017 1 929 . 1 1 81 81 LYS HG2 H 1 1.078 0.008 . 2 . . . A 81 LYS HG2 . 18017 1 930 . 1 1 81 81 LYS HG3 H 1 1.268 0.004 . 2 . . . A 81 LYS HG3 . 18017 1 931 . 1 1 81 81 LYS HD2 H 1 1.456 0.005 . 1 . . . A 81 LYS HD2 . 18017 1 932 . 1 1 81 81 LYS HD3 H 1 1.456 0.005 . 1 . . . A 81 LYS HD3 . 18017 1 933 . 1 1 81 81 LYS HE2 H 1 2.812 0.004 . 1 . . . A 81 LYS HE2 . 18017 1 934 . 1 1 81 81 LYS HE3 H 1 2.812 0.004 . 1 . . . A 81 LYS HE3 . 18017 1 935 . 1 1 81 81 LYS C C 13 176.310 0.156 . 1 . . . A 81 LYS C . 18017 1 936 . 1 1 81 81 LYS CA C 13 54.328 0.112 . 1 . . . A 81 LYS CA . 18017 1 937 . 1 1 81 81 LYS CB C 13 36.323 0.021 . 1 . . . A 81 LYS CB . 18017 1 938 . 1 1 81 81 LYS CG C 13 24.619 0.033 . 1 . . . A 81 LYS CG . 18017 1 939 . 1 1 81 81 LYS CD C 13 29.713 0.078 . 1 . . . A 81 LYS CD . 18017 1 940 . 1 1 81 81 LYS CE C 13 41.717 0.188 . 1 . . . A 81 LYS CE . 18017 1 941 . 1 1 81 81 LYS N N 15 126.172 0.010 . 1 . . . A 81 LYS N . 18017 1 942 . 1 1 82 82 ILE H H 1 8.228 0.004 . 1 . . . A 82 ILE H . 18017 1 943 . 1 1 82 82 ILE HA H 1 4.147 0.004 . 1 . . . A 82 ILE HA . 18017 1 944 . 1 1 82 82 ILE HB H 1 1.519 0.008 . 1 . . . A 82 ILE HB . 18017 1 945 . 1 1 82 82 ILE HG12 H 1 1.372 0.011 . 1 . . . A 82 ILE HG12 . 18017 1 946 . 1 1 82 82 ILE HG13 H 1 1.372 0.011 . 1 . . . A 82 ILE HG13 . 18017 1 947 . 1 1 82 82 ILE HG21 H 1 0.618 0.003 . 1 . . . A 82 ILE HG21 . 18017 1 948 . 1 1 82 82 ILE HG22 H 1 0.618 0.003 . 1 . . . A 82 ILE HG22 . 18017 1 949 . 1 1 82 82 ILE HG23 H 1 0.618 0.003 . 1 . . . A 82 ILE HG23 . 18017 1 950 . 1 1 82 82 ILE HD11 H 1 0.655 0.054 . 1 . . . A 82 ILE HD11 . 18017 1 951 . 1 1 82 82 ILE HD12 H 1 0.655 0.054 . 1 . . . A 82 ILE HD12 . 18017 1 952 . 1 1 82 82 ILE HD13 H 1 0.655 0.054 . 1 . . . A 82 ILE HD13 . 18017 1 953 . 1 1 82 82 ILE C C 13 176.640 0.156 . 1 . . . A 82 ILE C . 18017 1 954 . 1 1 82 82 ILE CA C 13 60.991 0.183 . 1 . . . A 82 ILE CA . 18017 1 955 . 1 1 82 82 ILE CB C 13 40.795 0.149 . 1 . . . A 82 ILE CB . 18017 1 956 . 1 1 82 82 ILE CG1 C 13 27.014 0.014 . 1 . . . A 82 ILE CG1 . 18017 1 957 . 1 1 82 82 ILE CG2 C 13 17.317 0.049 . 1 . . . A 82 ILE CG2 . 18017 1 958 . 1 1 82 82 ILE CD1 C 13 14.208 0.032 . 1 . . . A 82 ILE CD1 . 18017 1 959 . 1 1 82 82 ILE N N 15 119.954 0.023 . 1 . . . A 82 ILE N . 18017 1 960 . 1 1 83 83 ASP H H 1 9.722 0.002 . 1 . . . A 83 ASP H . 18017 1 961 . 1 1 83 83 ASP HA H 1 4.362 0.002 . 1 . . . A 83 ASP HA . 18017 1 962 . 1 1 83 83 ASP HB2 H 1 2.316 0.003 . 2 . . . A 83 ASP HB2 . 18017 1 963 . 1 1 83 83 ASP HB3 H 1 2.907 0.004 . 2 . . . A 83 ASP HB3 . 18017 1 964 . 1 1 83 83 ASP C C 13 175.085 0.156 . 1 . . . A 83 ASP C . 18017 1 965 . 1 1 83 83 ASP CA C 13 55.748 0.206 . 1 . . . A 83 ASP CA . 18017 1 966 . 1 1 83 83 ASP CB C 13 39.586 0.047 . 1 . . . A 83 ASP CB . 18017 1 967 . 1 1 83 83 ASP N N 15 130.602 0.014 . 1 . . . A 83 ASP N . 18017 1 968 . 1 1 84 84 GLY H H 1 8.599 0.003 . 1 . . . A 84 GLY H . 18017 1 969 . 1 1 84 84 GLY HA2 H 1 3.507 0.002 . 2 . . . A 84 GLY HA2 . 18017 1 970 . 1 1 84 84 GLY HA3 H 1 4.168 0.004 . 2 . . . A 84 GLY HA3 . 18017 1 971 . 1 1 84 84 GLY C C 13 173.949 0.156 . 1 . . . A 84 GLY C . 18017 1 972 . 1 1 84 84 GLY CA C 13 45.247 0.108 . 1 . . . A 84 GLY CA . 18017 1 973 . 1 1 84 84 GLY N N 15 101.547 0.107 . 1 . . . A 84 GLY N . 18017 1 974 . 1 1 85 85 LYS H H 1 7.578 0.002 . 1 . . . A 85 LYS H . 18017 1 975 . 1 1 85 85 LYS HA H 1 4.560 0.004 . 1 . . . A 85 LYS HA . 18017 1 976 . 1 1 85 85 LYS HB2 H 1 1.948 0.006 . 1 . . . A 85 LYS HB2 . 18017 1 977 . 1 1 85 85 LYS HB3 H 1 1.948 0.006 . 1 . . . A 85 LYS HB3 . 18017 1 978 . 1 1 85 85 LYS HG2 H 1 1.434 0.005 . 2 . . . A 85 LYS HG2 . 18017 1 979 . 1 1 85 85 LYS HG3 H 1 1.557 0.004 . 2 . . . A 85 LYS HG3 . 18017 1 980 . 1 1 85 85 LYS HD2 H 1 1.586 0.009 . 2 . . . A 85 LYS HD2 . 18017 1 981 . 1 1 85 85 LYS HD3 H 1 1.678 0.001 . 2 . . . A 85 LYS HD3 . 18017 1 982 . 1 1 85 85 LYS HE2 H 1 2.985 0.003 . 1 . . . A 85 LYS HE2 . 18017 1 983 . 1 1 85 85 LYS HE3 H 1 2.985 0.003 . 1 . . . A 85 LYS HE3 . 18017 1 984 . 1 1 85 85 LYS C C 13 175.798 0.156 . 1 . . . A 85 LYS C . 18017 1 985 . 1 1 85 85 LYS CA C 13 52.898 0.167 . 1 . . . A 85 LYS CA . 18017 1 986 . 1 1 85 85 LYS CB C 13 32.937 0.054 . 1 . . . A 85 LYS CB . 18017 1 987 . 1 1 85 85 LYS CG C 13 23.684 0.045 . 1 . . . A 85 LYS CG . 18017 1 988 . 1 1 85 85 LYS CD C 13 27.137 0.091 . 1 . . . A 85 LYS CD . 18017 1 989 . 1 1 85 85 LYS CE C 13 41.541 0.139 . 1 . . . A 85 LYS CE . 18017 1 990 . 1 1 85 85 LYS N N 15 120.846 0.007 . 1 . . . A 85 LYS N . 18017 1 991 . 1 1 86 86 THR H H 1 8.758 0.003 . 1 . . . A 86 THR H . 18017 1 992 . 1 1 86 86 THR HA H 1 4.395 0.005 . 1 . . . A 86 THR HA . 18017 1 993 . 1 1 86 86 THR HB H 1 4.007 0.002 . 1 . . . A 86 THR HB . 18017 1 994 . 1 1 86 86 THR HG21 H 1 1.118 0.004 . 1 . . . A 86 THR HG21 . 18017 1 995 . 1 1 86 86 THR HG22 H 1 1.118 0.004 . 1 . . . A 86 THR HG22 . 18017 1 996 . 1 1 86 86 THR HG23 H 1 1.118 0.004 . 1 . . . A 86 THR HG23 . 18017 1 997 . 1 1 86 86 THR C C 13 174.696 0.156 . 1 . . . A 86 THR C . 18017 1 998 . 1 1 86 86 THR CA C 13 63.603 0.160 . 1 . . . A 86 THR CA . 18017 1 999 . 1 1 86 86 THR CB C 13 68.329 0.041 . 1 . . . A 86 THR CB . 18017 1 1000 . 1 1 86 86 THR CG2 C 13 22.205 0.120 . 1 . . . A 86 THR CG2 . 18017 1 1001 . 1 1 86 86 THR N N 15 119.548 0.029 . 1 . . . A 86 THR N . 18017 1 1002 . 1 1 87 87 ILE H H 1 8.407 0.002 . 1 . . . A 87 ILE H . 18017 1 1003 . 1 1 87 87 ILE HA H 1 4.528 0.008 . 1 . . . A 87 ILE HA . 18017 1 1004 . 1 1 87 87 ILE HB H 1 1.813 0.005 . 1 . . . A 87 ILE HB . 18017 1 1005 . 1 1 87 87 ILE HG12 H 1 0.888 0.008 . 2 . . . A 87 ILE HG12 . 18017 1 1006 . 1 1 87 87 ILE HG13 H 1 1.816 0.005 . 2 . . . A 87 ILE HG13 . 18017 1 1007 . 1 1 87 87 ILE HG21 H 1 0.904 0.005 . 1 . . . A 87 ILE HG21 . 18017 1 1008 . 1 1 87 87 ILE HG22 H 1 0.904 0.005 . 1 . . . A 87 ILE HG22 . 18017 1 1009 . 1 1 87 87 ILE HG23 H 1 0.904 0.005 . 1 . . . A 87 ILE HG23 . 18017 1 1010 . 1 1 87 87 ILE HD11 H 1 0.505 0.004 . 1 . . . A 87 ILE HD11 . 18017 1 1011 . 1 1 87 87 ILE HD12 H 1 0.505 0.004 . 1 . . . A 87 ILE HD12 . 18017 1 1012 . 1 1 87 87 ILE HD13 H 1 0.505 0.004 . 1 . . . A 87 ILE HD13 . 18017 1 1013 . 1 1 87 87 ILE C C 13 176.269 0.156 . 1 . . . A 87 ILE C . 18017 1 1014 . 1 1 87 87 ILE CA C 13 57.599 0.139 . 1 . . . A 87 ILE CA . 18017 1 1015 . 1 1 87 87 ILE CB C 13 37.170 0.045 . 1 . . . A 87 ILE CB . 18017 1 1016 . 1 1 87 87 ILE CG1 C 13 27.323 0.018 . 1 . . . A 87 ILE CG1 . 18017 1 1017 . 1 1 87 87 ILE CG2 C 13 18.874 0.006 . 1 . . . A 87 ILE CG2 . 18017 1 1018 . 1 1 87 87 ILE CD1 C 13 9.660 0.065 . 1 . . . A 87 ILE CD1 . 18017 1 1019 . 1 1 87 87 ILE N N 15 132.086 0.012 . 1 . . . A 87 ILE N . 18017 1 1020 . 1 1 88 88 GLY H H 1 8.022 0.005 . 1 . . . A 88 GLY H . 18017 1 1021 . 1 1 88 88 GLY HA2 H 1 3.504 0.003 . 2 . . . A 88 GLY HA2 . 18017 1 1022 . 1 1 88 88 GLY HA3 H 1 4.393 0.002 . 2 . . . A 88 GLY HA3 . 18017 1 1023 . 1 1 88 88 GLY C C 13 172.666 0.156 . 1 . . . A 88 GLY C . 18017 1 1024 . 1 1 88 88 GLY CA C 13 44.208 0.037 . 1 . . . A 88 GLY CA . 18017 1 1025 . 1 1 88 88 GLY N N 15 114.226 0.065 . 1 . . . A 88 GLY N . 18017 1 1026 . 1 1 89 89 VAL H H 1 8.459 0.003 . 1 . . . A 89 VAL H . 18017 1 1027 . 1 1 89 89 VAL HA H 1 5.252 0.004 . 1 . . . A 89 VAL HA . 18017 1 1028 . 1 1 89 89 VAL HB H 1 1.785 0.006 . 1 . . . A 89 VAL HB . 18017 1 1029 . 1 1 89 89 VAL HG11 H 1 0.785 0.002 . 1 . . . A 89 VAL HG11 . 18017 1 1030 . 1 1 89 89 VAL HG12 H 1 0.785 0.002 . 1 . . . A 89 VAL HG12 . 18017 1 1031 . 1 1 89 89 VAL HG13 H 1 0.785 0.002 . 1 . . . A 89 VAL HG13 . 18017 1 1032 . 1 1 89 89 VAL HG21 H 1 0.772 0.004 . 1 . . . A 89 VAL HG21 . 18017 1 1033 . 1 1 89 89 VAL HG22 H 1 0.772 0.004 . 1 . . . A 89 VAL HG22 . 18017 1 1034 . 1 1 89 89 VAL HG23 H 1 0.772 0.004 . 1 . . . A 89 VAL HG23 . 18017 1 1035 . 1 1 89 89 VAL C C 13 174.219 0.156 . 1 . . . A 89 VAL C . 18017 1 1036 . 1 1 89 89 VAL CA C 13 59.917 0.063 . 1 . . . A 89 VAL CA . 18017 1 1037 . 1 1 89 89 VAL CB C 13 34.792 0.071 . 1 . . . A 89 VAL CB . 18017 1 1038 . 1 1 89 89 VAL CG1 C 13 21.971 0.012 . 2 . . . A 89 VAL CG1 . 18017 1 1039 . 1 1 89 89 VAL CG2 C 13 20.572 0.017 . 2 . . . A 89 VAL CG2 . 18017 1 1040 . 1 1 89 89 VAL N N 15 119.262 0.023 . 1 . . . A 89 VAL N . 18017 1 1041 . 1 1 90 90 ASP H H 1 8.387 0.005 . 1 . . . A 90 ASP H . 18017 1 1042 . 1 1 90 90 ASP HA H 1 4.676 0.005 . 1 . . . A 90 ASP HA . 18017 1 1043 . 1 1 90 90 ASP HB2 H 1 2.485 0.003 . 2 . . . A 90 ASP HB2 . 18017 1 1044 . 1 1 90 90 ASP HB3 H 1 2.574 0.004 . 2 . . . A 90 ASP HB3 . 18017 1 1045 . 1 1 90 90 ASP C C 13 175.613 0.156 . 1 . . . A 90 ASP C . 18017 1 1046 . 1 1 90 90 ASP CA C 13 52.689 0.142 . 1 . . . A 90 ASP CA . 18017 1 1047 . 1 1 90 90 ASP CB C 13 44.565 0.018 . 1 . . . A 90 ASP CB . 18017 1 1048 . 1 1 90 90 ASP N N 15 123.464 0.022 . 1 . . . A 90 ASP N . 18017 1 1049 . 1 1 91 91 PHE H H 1 9.207 0.003 . 1 . . . A 91 PHE H . 18017 1 1050 . 1 1 91 91 PHE HA H 1 4.766 0.004 . 1 . . . A 91 PHE HA . 18017 1 1051 . 1 1 91 91 PHE HB2 H 1 2.692 0.003 . 2 . . . A 91 PHE HB2 . 18017 1 1052 . 1 1 91 91 PHE HB3 H 1 3.279 0.005 . 2 . . . A 91 PHE HB3 . 18017 1 1053 . 1 1 91 91 PHE HD1 H 1 7.221 0.003 . 3 . . . A 91 PHE HD1 . 18017 1 1054 . 1 1 91 91 PHE HE1 H 1 7.220 0.003 . 3 . . . A 91 PHE HE1 . 18017 1 1055 . 1 1 91 91 PHE HE2 H 1 7.222 0.156 . 3 . . . A 91 PHE HE2 . 18017 1 1056 . 1 1 91 91 PHE HZ H 1 7.216 0.156 . 1 . . . A 91 PHE HZ . 18017 1 1057 . 1 1 91 91 PHE C C 13 176.387 0.156 . 1 . . . A 91 PHE C . 18017 1 1058 . 1 1 91 91 PHE CA C 13 59.637 0.065 . 1 . . . A 91 PHE CA . 18017 1 1059 . 1 1 91 91 PHE CB C 13 40.614 0.070 . 1 . . . A 91 PHE CB . 18017 1 1060 . 1 1 91 91 PHE N N 15 119.869 0.016 . 1 . . . A 91 PHE N . 18017 1 1061 . 1 1 92 92 ALA H H 1 8.413 0.002 . 1 . . . A 92 ALA H . 18017 1 1062 . 1 1 92 92 ALA HA H 1 4.325 0.002 . 1 . . . A 92 ALA HA . 18017 1 1063 . 1 1 92 92 ALA HB1 H 1 1.322 0.004 . 1 . . . A 92 ALA HB1 . 18017 1 1064 . 1 1 92 92 ALA HB2 H 1 1.322 0.004 . 1 . . . A 92 ALA HB2 . 18017 1 1065 . 1 1 92 92 ALA HB3 H 1 1.322 0.004 . 1 . . . A 92 ALA HB3 . 18017 1 1066 . 1 1 92 92 ALA C C 13 176.430 0.156 . 1 . . . A 92 ALA C . 18017 1 1067 . 1 1 92 92 ALA CA C 13 52.064 0.074 . 1 . . . A 92 ALA CA . 18017 1 1068 . 1 1 92 92 ALA CB C 13 19.567 0.065 . 1 . . . A 92 ALA CB . 18017 1 1069 . 1 1 92 92 ALA N N 15 123.936 0.039 . 1 . . . A 92 ALA N . 18017 1 1070 . 1 1 93 93 LYS H H 1 8.467 0.009 . 1 . . . A 93 LYS H . 18017 1 1071 . 1 1 93 93 LYS HA H 1 4.328 0.002 . 1 . . . A 93 LYS HA . 18017 1 1072 . 1 1 93 93 LYS HB2 H 1 1.700 0.004 . 2 . . . A 93 LYS HB2 . 18017 1 1073 . 1 1 93 93 LYS HB3 H 1 1.795 0.003 . 2 . . . A 93 LYS HB3 . 18017 1 1074 . 1 1 93 93 LYS HG2 H 1 1.379 0.006 . 1 . . . A 93 LYS HG2 . 18017 1 1075 . 1 1 93 93 LYS HG3 H 1 1.379 0.006 . 1 . . . A 93 LYS HG3 . 18017 1 1076 . 1 1 93 93 LYS HD2 H 1 1.618 0.002 . 1 . . . A 93 LYS HD2 . 18017 1 1077 . 1 1 93 93 LYS HD3 H 1 1.618 0.002 . 1 . . . A 93 LYS HD3 . 18017 1 1078 . 1 1 93 93 LYS HE2 H 1 2.921 0.003 . 1 . . . A 93 LYS HE2 . 18017 1 1079 . 1 1 93 93 LYS HE3 H 1 2.921 0.003 . 1 . . . A 93 LYS HE3 . 18017 1 1080 . 1 1 93 93 LYS C C 13 176.363 0.156 . 1 . . . A 93 LYS C . 18017 1 1081 . 1 1 93 93 LYS CA C 13 56.167 0.101 . 1 . . . A 93 LYS CA . 18017 1 1082 . 1 1 93 93 LYS CB C 13 33.446 0.034 . 1 . . . A 93 LYS CB . 18017 1 1083 . 1 1 93 93 LYS CG C 13 24.841 0.014 . 1 . . . A 93 LYS CG . 18017 1 1084 . 1 1 93 93 LYS CD C 13 29.002 0.024 . 1 . . . A 93 LYS CD . 18017 1 1085 . 1 1 93 93 LYS CE C 13 41.892 0.148 . 1 . . . A 93 LYS CE . 18017 1 1086 . 1 1 93 93 LYS N N 15 121.004 0.034 . 1 . . . A 93 LYS N . 18017 1 1087 . 1 1 94 94 SER H H 1 8.294 0.001 . 1 . . . A 94 SER H . 18017 1 1088 . 1 1 94 94 SER HA H 1 4.324 0.004 . 1 . . . A 94 SER HA . 18017 1 1089 . 1 1 94 94 SER HB2 H 1 3.739 0.004 . 1 . . . A 94 SER HB2 . 18017 1 1090 . 1 1 94 94 SER HB3 H 1 3.739 0.004 . 1 . . . A 94 SER HB3 . 18017 1 1091 . 1 1 94 94 SER C C 13 173.081 0.156 . 1 . . . A 94 SER C . 18017 1 1092 . 1 1 94 94 SER CA C 13 58.115 0.240 . 1 . . . A 94 SER CA . 18017 1 1093 . 1 1 94 94 SER CB C 13 63.948 0.123 . 1 . . . A 94 SER CB . 18017 1 1094 . 1 1 94 94 SER N N 15 117.296 0.028 . 1 . . . A 94 SER N . 18017 1 1095 . 1 1 95 95 ALA H H 1 7.929 0.002 . 1 . . . A 95 ALA H . 18017 1 1096 . 1 1 95 95 ALA HA H 1 4.012 0.001 . 1 . . . A 95 ALA HA . 18017 1 1097 . 1 1 95 95 ALA HB1 H 1 1.209 0.002 . 1 . . . A 95 ALA HB1 . 18017 1 1098 . 1 1 95 95 ALA HB2 H 1 1.209 0.002 . 1 . . . A 95 ALA HB2 . 18017 1 1099 . 1 1 95 95 ALA HB3 H 1 1.209 0.002 . 1 . . . A 95 ALA HB3 . 18017 1 1100 . 1 1 95 95 ALA CA C 13 53.731 0.008 . 1 . . . A 95 ALA CA . 18017 1 1101 . 1 1 95 95 ALA CB C 13 20.111 0.006 . 1 . . . A 95 ALA CB . 18017 1 1102 . 1 1 95 95 ALA N N 15 131.035 0.013 . 1 . . . A 95 ALA N . 18017 1 stop_ save_