data_17029 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17029 _Entry.Title ; 1H, 15N and 13C assignments for the potential GTPase binding domain of dictyostelium discoideum Fomin C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-30 _Entry.Accession_date 2010-06-30 _Entry.Last_release_date 2011-10-28 _Entry.Original_release_date 2011-10-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Sonja Dames . A. . 17029 2 Andre Schoenichen . . . 17029 3 Grzesiek Stephan . . . 17029 4 Matthias Geyer . . . 17029 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17029 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 482 17029 '15N chemical shifts' 111 17029 '1H chemical shifts' 782 17029 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-10-28 2010-06-30 original author . 17029 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17029 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21846933 _Citation.Full_citation . _Citation.Title 'Structure, Dynamics, Lipid Binding, and Physiological Relevance of the Putative GTPase-binding Domain of Dictyostelium Formin C.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 42 _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 36907 _Citation.Page_last 36920 _Citation.Year 2011 _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 Sonja Dames . A. . 17029 1 2 Alexander Junemann . . . 17029 1 3 Hans Sass . J. . 17029 1 4 Andre Schonichen . . . 17029 1 5 Barbara Stopschinski . E. . 17029 1 6 Stephan Grzesiek . . . 17029 1 7 Jan Faix . . . 17029 1 8 Matthias Geyer . . . 17029 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'dictyostelium discoideum' 17029 1 'formin C' 17029 1 'GTPase-binding domain' 17029 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17029 _Assembly.ID 1 _Assembly.Name 'Formin C potential GTPase binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12057.7 _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 'formin C' 1 $formin_C A . yes native no no . . . 17029 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_formin_C _Entity.Sf_category entity _Entity.Sf_framecode formin_C _Entity.Entry_ID 17029 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name formin_C _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAHMGGSMKIRVELINGNEH RTSSTPQQPQQNPSVSHIFD GETAVKDHIKVLLTHFKIPV DKVSSYALQNPFTLAYVEDS FLTPERLVEAEKSYFILRMK PHAIADR ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal potential GTPase-binding domain of the formin ForC' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12057.7 _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 2L1A . "Solution Nmr Structure Of The N-Terminal Gtpase-Like Domain Of Dictyostelium Discoideum Fomin C" . . . . . 100.00 107 100.00 100.00 1.98e-72 . . . . 17029 1 2 no DBJ BAC16798 . "formin homology protein C [Dictyostelium discoideum]" . . . . . 93.46 1158 100.00 100.00 8.28e-61 . . . . 17029 1 3 no GB EAL63715 . "actin binding protein [Dictyostelium discoideum AX4]" . . . . . 93.46 1158 100.00 100.00 8.61e-61 . . . . 17029 1 4 no REF XP_637272 . "actin binding protein [Dictyostelium discoideum AX4]" . . . . . 93.46 1158 100.00 100.00 8.61e-61 . . . . 17029 1 5 no SP Q54KF1 . "RecName: Full=Formin-C" . . . . . 93.46 1158 100.00 100.00 8.61e-61 . . . . 17029 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Dictyostelium discodium Formin-C: role for fruiting body formation/ cell movement during multicellular stages of the slime mold' 17029 1 'Formins general: nucleation/formation of actin filaments' 17029 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 . GLY . 17029 1 2 . ALA . 17029 1 3 . HIS . 17029 1 4 . MET . 17029 1 5 . GLY . 17029 1 6 . GLY . 17029 1 7 . SER . 17029 1 8 . MET . 17029 1 9 . LYS . 17029 1 10 . ILE . 17029 1 11 . ARG . 17029 1 12 . VAL . 17029 1 13 . GLU . 17029 1 14 . LEU . 17029 1 15 . ILE . 17029 1 16 . ASN . 17029 1 17 . GLY . 17029 1 18 . ASN . 17029 1 19 . GLU . 17029 1 20 . HIS . 17029 1 21 . ARG . 17029 1 22 . THR . 17029 1 23 . SER . 17029 1 24 . SER . 17029 1 25 . THR . 17029 1 26 . PRO . 17029 1 27 . GLN . 17029 1 28 . GLN . 17029 1 29 . PRO . 17029 1 30 . GLN . 17029 1 31 . GLN . 17029 1 32 . ASN . 17029 1 33 . PRO . 17029 1 34 . SER . 17029 1 35 . VAL . 17029 1 36 . SER . 17029 1 37 . HIS . 17029 1 38 . ILE . 17029 1 39 . PHE . 17029 1 40 . ASP . 17029 1 41 . GLY . 17029 1 42 . GLU . 17029 1 43 . THR . 17029 1 44 . ALA . 17029 1 45 . VAL . 17029 1 46 . LYS . 17029 1 47 . ASP . 17029 1 48 . HIS . 17029 1 49 . ILE . 17029 1 50 . LYS . 17029 1 51 . VAL . 17029 1 52 . LEU . 17029 1 53 . LEU . 17029 1 54 . THR . 17029 1 55 . HIS . 17029 1 56 . PHE . 17029 1 57 . LYS . 17029 1 58 . ILE . 17029 1 59 . PRO . 17029 1 60 . VAL . 17029 1 61 . ASP . 17029 1 62 . LYS . 17029 1 63 . VAL . 17029 1 64 . SER . 17029 1 65 . SER . 17029 1 66 . TYR . 17029 1 67 . ALA . 17029 1 68 . LEU . 17029 1 69 . GLN . 17029 1 70 . ASN . 17029 1 71 . PRO . 17029 1 72 . PHE . 17029 1 73 . THR . 17029 1 74 . LEU . 17029 1 75 . ALA . 17029 1 76 . TYR . 17029 1 77 . VAL . 17029 1 78 . GLU . 17029 1 79 . ASP . 17029 1 80 . SER . 17029 1 81 . PHE . 17029 1 82 . LEU . 17029 1 83 . THR . 17029 1 84 . PRO . 17029 1 85 . GLU . 17029 1 86 . ARG . 17029 1 87 . LEU . 17029 1 88 . VAL . 17029 1 89 . GLU . 17029 1 90 . ALA . 17029 1 91 . GLU . 17029 1 92 . LYS . 17029 1 93 . SER . 17029 1 94 . TYR . 17029 1 95 . PHE . 17029 1 96 . ILE . 17029 1 97 . LEU . 17029 1 98 . ARG . 17029 1 99 . MET . 17029 1 100 . LYS . 17029 1 101 . PRO . 17029 1 102 . HIS . 17029 1 103 . ALA . 17029 1 104 . ILE . 17029 1 105 . ALA . 17029 1 106 . ASP . 17029 1 107 . ARG . 17029 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 . GLY 1 1 17029 1 . ALA 2 2 17029 1 . HIS 3 3 17029 1 . MET 4 4 17029 1 . GLY 5 5 17029 1 . GLY 6 6 17029 1 . SER 7 7 17029 1 . MET 8 8 17029 1 . LYS 9 9 17029 1 . ILE 10 10 17029 1 . ARG 11 11 17029 1 . VAL 12 12 17029 1 . GLU 13 13 17029 1 . LEU 14 14 17029 1 . ILE 15 15 17029 1 . ASN 16 16 17029 1 . GLY 17 17 17029 1 . ASN 18 18 17029 1 . GLU 19 19 17029 1 . HIS 20 20 17029 1 . ARG 21 21 17029 1 . THR 22 22 17029 1 . SER 23 23 17029 1 . SER 24 24 17029 1 . THR 25 25 17029 1 . PRO 26 26 17029 1 . GLN 27 27 17029 1 . GLN 28 28 17029 1 . PRO 29 29 17029 1 . GLN 30 30 17029 1 . GLN 31 31 17029 1 . ASN 32 32 17029 1 . PRO 33 33 17029 1 . SER 34 34 17029 1 . VAL 35 35 17029 1 . SER 36 36 17029 1 . HIS 37 37 17029 1 . ILE 38 38 17029 1 . PHE 39 39 17029 1 . ASP 40 40 17029 1 . GLY 41 41 17029 1 . GLU 42 42 17029 1 . THR 43 43 17029 1 . ALA 44 44 17029 1 . VAL 45 45 17029 1 . LYS 46 46 17029 1 . ASP 47 47 17029 1 . HIS 48 48 17029 1 . ILE 49 49 17029 1 . LYS 50 50 17029 1 . VAL 51 51 17029 1 . LEU 52 52 17029 1 . LEU 53 53 17029 1 . THR 54 54 17029 1 . HIS 55 55 17029 1 . PHE 56 56 17029 1 . LYS 57 57 17029 1 . ILE 58 58 17029 1 . PRO 59 59 17029 1 . VAL 60 60 17029 1 . ASP 61 61 17029 1 . LYS 62 62 17029 1 . VAL 63 63 17029 1 . SER 64 64 17029 1 . SER 65 65 17029 1 . TYR 66 66 17029 1 . ALA 67 67 17029 1 . LEU 68 68 17029 1 . GLN 69 69 17029 1 . ASN 70 70 17029 1 . PRO 71 71 17029 1 . PHE 72 72 17029 1 . THR 73 73 17029 1 . LEU 74 74 17029 1 . ALA 75 75 17029 1 . TYR 76 76 17029 1 . VAL 77 77 17029 1 . GLU 78 78 17029 1 . ASP 79 79 17029 1 . SER 80 80 17029 1 . PHE 81 81 17029 1 . LEU 82 82 17029 1 . THR 83 83 17029 1 . PRO 84 84 17029 1 . GLU 85 85 17029 1 . ARG 86 86 17029 1 . LEU 87 87 17029 1 . VAL 88 88 17029 1 . GLU 89 89 17029 1 . ALA 90 90 17029 1 . GLU 91 91 17029 1 . LYS 92 92 17029 1 . SER 93 93 17029 1 . TYR 94 94 17029 1 . PHE 95 95 17029 1 . ILE 96 96 17029 1 . LEU 97 97 17029 1 . ARG 98 98 17029 1 . MET 99 99 17029 1 . LYS 100 100 17029 1 . PRO 101 101 17029 1 . HIS 102 102 17029 1 . ALA 103 103 17029 1 . ILE 104 104 17029 1 . ALA 105 105 17029 1 . ASP 106 106 17029 1 . ARG 107 107 17029 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 17029 _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 $formin_C . 44689 organism . 'Dictyostelium discoideum' 'Dictyostelium discoideum' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . . . . . . . . . . . 17029 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 17029 _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 $formin_C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pGEX-4T1 tev' . . . . . . 17029 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17029 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'forC/ A' '[U-100% 15N]' . . 1 $formin_C . . 1.0 . . mM . . . . 17029 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17029 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17029 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 17029 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17029 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'forC/ A' '[U-100% 13C; U-100% 15N]' . . 1 $formin_C . . 0.8 . . mM . . . . 17029 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17029 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17029 2 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 17029 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17029 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.5' _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 'forC/ A' '[U-100% 13C; U-100% 15N]' . . 1 $formin_C . . 0.8 . . mM . . . . 17029 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17029 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17029 3 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 17029 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17029 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; pH 6.5 For the measurement of resdiual dipolar couplings. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'forC/ A' '[U-100% 13C; U-100% 15N]' . . 1 $formin_C . . 0.8 . . mM . . . . 17029 4 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17029 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17029 4 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . '% v/v' . . . . 17029 4 5 C12E5 'natural abundance' . . . . . . 8.6 . . '% w/v' . . . . 17029 4 6 hexanol 'natural abundance' . . . . . . 2 . . '% v/v' . . . . 17029 4 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 17029 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17029 1 pH 6.5 . pH 17029 1 pressure 1 . atm 17029 1 temperature 293 . K 17029 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17029 _Software.ID 1 _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' . . 17029 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17029 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17029 _Software.ID 2 _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' . . 17029 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17029 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17029 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17029 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17029 3 'peak picking' 17029 3 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 17029 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17029 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17029 _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 DRX . 600 . . . 17029 1 2 spectrometer_2 Bruker DRX . 800 'cryo probe' . . 17029 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 17029 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17029 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17029 1 4 '3D CCONH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17029 1 5 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17029 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 8 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17029 1 9 '3D HACAHB-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17029 1 11 '2D 13C-{13CO}-1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17029 1 12 '2D 13C-{15N}-1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17029 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 17 '2D 1H-15N HSQC-IPAP' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 18 '3D HN(CO)CA_Jcaha' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17029 1 19 '3D HN(CO)CA_Jcacb' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17029 1 20 {1H}-15N-NOE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 21 15N-T1 no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 22 15N-T2 no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 23 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 24 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 25 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 1 26 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17029 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 17029 _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 water protons . . . . ppm 4.821 internal indirect 0.251449530 . . . . . . . . . 17029 1 H 1 water protons . . . . ppm 4.821 internal direct 1.000000000 . . . . . . . . . 17029 1 N 15 water protons . . . . ppm 4.821 internal indirect 0.101329118 . . . . . . . . . 17029 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_assignments_forC_3l _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_forC_3l _Assigned_chem_shift_list.Entry_ID 17029 _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' . . . 17029 1 2 '2D 1H-13C HSQC' . . . 17029 1 3 '3D HNCA' . . . 17029 1 4 '3D CCONH-TOCSY' . . . 17029 1 5 '3D CBCANH' . . . 17029 1 6 '3D HNHA' . . . 17029 1 7 '3D HCCH-TOCSY' . . . 17029 1 8 '3D HNHB' . . . 17029 1 9 '3D HACAHB-COSY' . . . 17029 1 10 '3D HNCO' . . . 17029 1 11 '2D 13C-{13CO}-1H-13C HSQC' . . . 17029 1 12 '2D 13C-{15N}-1H-13C HSQC' . . . 17029 1 13 '3D 1H-15N NOESY' . . . 17029 1 14 '3D 1H-13C NOESY aliphatic' . . . 17029 1 15 '3D 1H-13C NOESY aromatic' . . . 17029 1 16 '3D 1H-13C NOESY aliphatic' . . . 17029 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $NMRView . . 17029 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.791 0.01 . 2 . . . . 1 GLY HA1 . 17029 1 2 . 1 1 1 1 GLY CA C 13 43.230 0.15 . 1 . . . . 1 GLY CA . 17029 1 3 . 1 1 2 2 ALA H H 1 8.612 0.01 . 1 . . . . 2 ALA HN . 17029 1 4 . 1 1 2 2 ALA HA H 1 4.255 0.01 . 1 . . . . 2 ALA HA . 17029 1 5 . 1 1 2 2 ALA HB1 H 1 1.279 0.01 . 1 . . . . 2 ALA HB1 . 17029 1 6 . 1 1 2 2 ALA HB2 H 1 1.279 0.01 . 1 . . . . 2 ALA HB1 . 17029 1 7 . 1 1 2 2 ALA HB3 H 1 1.279 0.01 . 1 . . . . 2 ALA HB1 . 17029 1 8 . 1 1 2 2 ALA C C 13 177.477 0.15 . 1 . . . . 2 ALA C . 17029 1 9 . 1 1 2 2 ALA CA C 13 52.442 0.15 . 1 . . . . 2 ALA CA . 17029 1 10 . 1 1 2 2 ALA CB C 13 19.393 0.15 . 1 . . . . 2 ALA CB . 17029 1 11 . 1 1 2 2 ALA N N 15 123.560 0.05 . 1 . . . . 2 ALA N . 17029 1 12 . 1 1 3 3 HIS H H 1 8.600 0.01 . 1 . . . . 3 HIS HN . 17029 1 13 . 1 1 3 3 HIS HA H 1 4.635 0.01 . 1 . . . . 3 HIS HA . 17029 1 14 . 1 1 3 3 HIS HB2 H 1 3.102 0.01 . 2 . . . . 3 HIS HB1 . 17029 1 15 . 1 1 3 3 HIS HD2 H 1 7.131 0.01 . 1 . . . . 3 HIS HD2 . 17029 1 16 . 1 1 3 3 HIS C C 13 175.002 0.15 . 1 . . . . 3 HIS C . 17029 1 17 . 1 1 3 3 HIS CA C 13 55.707 0.15 . 1 . . . . 3 HIS CA . 17029 1 18 . 1 1 3 3 HIS CB C 13 29.685 0.15 . 1 . . . . 3 HIS CB . 17029 1 19 . 1 1 3 3 HIS CD2 C 13 120.041 0.15 . 1 . . . . 3 HIS CD2 . 17029 1 20 . 1 1 3 3 HIS N N 15 118.893 0.05 . 1 . . . . 3 HIS N . 17029 1 21 . 1 1 4 4 MET H H 1 8.554 0.01 . 1 . . . . 4 MET HN . 17029 1 22 . 1 1 4 4 MET HA H 1 4.475 0.01 . 1 . . . . 4 MET HA . 17029 1 23 . 1 1 4 4 MET HB2 H 1 2.077 0.01 . 1 . . . . 4 MET HB1 . 17029 1 24 . 1 1 4 4 MET HB3 H 1 1.959 0.01 . 1 . . . . 4 MET HB2 . 17029 1 25 . 1 1 4 4 MET HE1 H 1 2.048 0.01 . 1 . . . . 4 MET HE1 . 17029 1 26 . 1 1 4 4 MET HE2 H 1 2.048 0.01 . 1 . . . . 4 MET HE1 . 17029 1 27 . 1 1 4 4 MET HE3 H 1 2.048 0.01 . 1 . . . . 4 MET HE1 . 17029 1 28 . 1 1 4 4 MET HG2 H 1 2.551 0.01 . 2 . . . . 4 MET HG1 . 17029 1 29 . 1 1 4 4 MET HG3 H 1 2.463 0.01 . 2 . . . . 4 MET HG2 . 17029 1 30 . 1 1 4 4 MET C C 13 176.647 0.15 . 1 . . . . 4 MET C . 17029 1 31 . 1 1 4 4 MET CA C 13 55.444 0.15 . 1 . . . . 4 MET CA . 17029 1 32 . 1 1 4 4 MET CB C 13 32.718 0.15 . 1 . . . . 4 MET CB . 17029 1 33 . 1 1 4 4 MET CE C 13 16.884 0.15 . 1 . . . . 4 MET CE . 17029 1 34 . 1 1 4 4 MET CG C 13 31.879 0.15 . 1 . . . . 4 MET CG . 17029 1 35 . 1 1 4 4 MET N N 15 122.648 0.05 . 1 . . . . 4 MET N . 17029 1 36 . 1 1 5 5 GLY H H 1 8.560 0.01 . 1 . . . . 5 GLY HN . 17029 1 37 . 1 1 5 5 GLY HA2 H 1 3.968 0.01 . 2 . . . . 5 GLY HA1 . 17029 1 38 . 1 1 5 5 GLY HA3 H 1 3.968 0.01 . 2 . . . . 5 GLY HA2 . 17029 1 39 . 1 1 5 5 GLY C C 13 174.388 0.15 . 1 . . . . 5 GLY C . 17029 1 40 . 1 1 5 5 GLY CA C 13 45.467 0.15 . 1 . . . . 5 GLY CA . 17029 1 41 . 1 1 5 5 GLY N N 15 110.671 0.05 . 1 . . . . 5 GLY N . 17029 1 42 . 1 1 6 6 GLY H H 1 8.374 0.01 . 1 . . . . 6 GLY HN . 17029 1 43 . 1 1 6 6 GLY HA2 H 1 3.997 0.01 . 2 . . . . 6 GLY HA1 . 17029 1 44 . 1 1 6 6 GLY HA3 H 1 3.997 0.01 . 2 . . . . 6 GLY HA2 . 17029 1 45 . 1 1 6 6 GLY C C 13 173.572 0.15 . 1 . . . . 6 GLY C . 17029 1 46 . 1 1 6 6 GLY CA C 13 45.234 0.15 . 1 . . . . 6 GLY CA . 17029 1 47 . 1 1 6 6 GLY N N 15 109.024 0.05 . 1 . . . . 6 GLY N . 17029 1 48 . 1 1 7 7 SER H H 1 8.032 0.01 . 1 . . . . 7 SER HN . 17029 1 49 . 1 1 7 7 SER HA H 1 4.992 0.01 . 1 . . . . 7 SER HA . 17029 1 50 . 1 1 7 7 SER HB2 H 1 3.765 0.01 . 2 . . . . 7 SER HB1 . 17029 1 51 . 1 1 7 7 SER HB3 H 1 3.765 0.01 . 2 . . . . 7 SER HB2 . 17029 1 52 . 1 1 7 7 SER C C 13 174.159 0.15 . 1 . . . . 7 SER C . 17029 1 53 . 1 1 7 7 SER CA C 13 57.740 0.15 . 1 . . . . 7 SER CA . 17029 1 54 . 1 1 7 7 SER CB C 13 64.698 0.15 . 1 . . . . 7 SER CB . 17029 1 55 . 1 1 7 7 SER N N 15 114.947 0.05 . 1 . . . . 7 SER N . 17029 1 56 . 1 1 8 8 MET H H 1 8.633 0.01 . 1 . . . . 8 MET HN . 17029 1 57 . 1 1 8 8 MET HA H 1 4.691 0.01 . 1 . . . . 8 MET HA . 17029 1 58 . 1 1 8 8 MET HB2 H 1 1.923 0.01 . 1 . . . . 8 MET HB1 . 17029 1 59 . 1 1 8 8 MET HB3 H 1 1.820 0.01 . 1 . . . . 8 MET HB2 . 17029 1 60 . 1 1 8 8 MET HE1 H 1 1.921 0.01 . 1 . . . . 8 MET HE1 . 17029 1 61 . 1 1 8 8 MET HE2 H 1 1.921 0.01 . 1 . . . . 8 MET HE1 . 17029 1 62 . 1 1 8 8 MET HE3 H 1 1.921 0.01 . 1 . . . . 8 MET HE1 . 17029 1 63 . 1 1 8 8 MET HG2 H 1 2.403 0.01 . 2 . . . . 8 MET HG1 . 17029 1 64 . 1 1 8 8 MET HG3 H 1 2.383 0.01 . 2 . . . . 8 MET HG2 . 17029 1 65 . 1 1 8 8 MET C C 13 173.784 0.15 . 1 . . . . 8 MET C . 17029 1 66 . 1 1 8 8 MET CA C 13 55.039 0.15 . 1 . . . . 8 MET CA . 17029 1 67 . 1 1 8 8 MET CB C 13 35.907 0.15 . 1 . . . . 8 MET CB . 17029 1 68 . 1 1 8 8 MET CE C 13 17.999 0.15 . 1 . . . . 8 MET CE . 17029 1 69 . 1 1 8 8 MET CG C 13 32.344 0.15 . 1 . . . . 8 MET CG . 17029 1 70 . 1 1 8 8 MET N N 15 120.535 0.05 . 1 . . . . 8 MET N . 17029 1 71 . 1 1 9 9 LYS H H 1 8.663 0.01 . 1 . . . . 9 LYS HN . 17029 1 72 . 1 1 9 9 LYS HA H 1 4.618 0.01 . 1 . . . . 9 LYS HA . 17029 1 73 . 1 1 9 9 LYS HB2 H 1 1.566 0.01 . 1 . . . . 9 LYS HB1 . 17029 1 74 . 1 1 9 9 LYS HB3 H 1 1.738 0.01 . 1 . . . . 9 LYS HB2 . 17029 1 75 . 1 1 9 9 LYS HD2 H 1 1.606 0.01 . 2 . . . . 9 LYS HD1 . 17029 1 76 . 1 1 9 9 LYS HD3 H 1 1.606 0.01 . 2 . . . . 9 LYS HD2 . 17029 1 77 . 1 1 9 9 LYS HE2 H 1 2.872 0.01 . 2 . . . . 9 LYS HE1 . 17029 1 78 . 1 1 9 9 LYS HE3 H 1 2.872 0.01 . 2 . . . . 9 LYS HE2 . 17029 1 79 . 1 1 9 9 LYS HG2 H 1 1.153 0.01 . 2 . . . . 9 LYS HG1 . 17029 1 80 . 1 1 9 9 LYS HG3 H 1 1.153 0.01 . 2 . . . . 9 LYS HG2 . 17029 1 81 . 1 1 9 9 LYS C C 13 175.564 0.15 . 1 . . . . 9 LYS C . 17029 1 82 . 1 1 9 9 LYS CA C 13 56.495 0.15 . 1 . . . . 9 LYS CA . 17029 1 83 . 1 1 9 9 LYS CB C 13 32.773 0.15 . 1 . . . . 9 LYS CB . 17029 1 84 . 1 1 9 9 LYS CD C 13 29.461 0.15 . 1 . . . . 9 LYS CD . 17029 1 85 . 1 1 9 9 LYS CE C 13 41.675 0.15 . 1 . . . . 9 LYS CE . 17029 1 86 . 1 1 9 9 LYS CG C 13 25.347 0.15 . 1 . . . . 9 LYS CG . 17029 1 87 . 1 1 9 9 LYS N N 15 125.968 0.05 . 1 . . . . 9 LYS N . 17029 1 88 . 1 1 10 10 ILE H H 1 9.144 0.01 . 1 . . . . 10 ILE HN . 17029 1 89 . 1 1 10 10 ILE HA H 1 4.389 0.01 . 1 . . . . 10 ILE HA . 17029 1 90 . 1 1 10 10 ILE HB H 1 2.048 0.01 . 1 . . . . 10 ILE HB . 17029 1 91 . 1 1 10 10 ILE HD11 H 1 0.622 0.01 . 1 . . . . 10 ILE HD11 . 17029 1 92 . 1 1 10 10 ILE HD12 H 1 0.622 0.01 . 1 . . . . 10 ILE HD11 . 17029 1 93 . 1 1 10 10 ILE HD13 H 1 0.622 0.01 . 1 . . . . 10 ILE HD11 . 17029 1 94 . 1 1 10 10 ILE HG12 H 1 1.540 0.01 . 2 . . . . 10 ILE HG11 . 17029 1 95 . 1 1 10 10 ILE HG13 H 1 0.749 0.01 . 2 . . . . 10 ILE HG12 . 17029 1 96 . 1 1 10 10 ILE HG21 H 1 0.820 0.01 . 1 . . . . 10 ILE HG21 . 17029 1 97 . 1 1 10 10 ILE HG22 H 1 0.820 0.01 . 1 . . . . 10 ILE HG21 . 17029 1 98 . 1 1 10 10 ILE HG23 H 1 0.820 0.01 . 1 . . . . 10 ILE HG21 . 17029 1 99 . 1 1 10 10 ILE C C 13 174.561 0.15 . 1 . . . . 10 ILE C . 17029 1 100 . 1 1 10 10 ILE CA C 13 60.247 0.15 . 1 . . . . 10 ILE CA . 17029 1 101 . 1 1 10 10 ILE CB C 13 42.282 0.15 . 1 . . . . 10 ILE CB . 17029 1 102 . 1 1 10 10 ILE CD1 C 13 14.000 0.15 . 1 . . . . 10 ILE CD1 . 17029 1 103 . 1 1 10 10 ILE CG1 C 13 28.000 0.15 . 1 . . . . 10 ILE CG1 . 17029 1 104 . 1 1 10 10 ILE CG2 C 13 17.673 0.15 . 1 . . . . 10 ILE CG2 . 17029 1 105 . 1 1 10 10 ILE N N 15 128.784 0.05 . 1 . . . . 10 ILE N . 17029 1 106 . 1 1 11 11 ARG H H 1 8.991 0.01 . 1 . . . . 11 ARG HN . 17029 1 107 . 1 1 11 11 ARG HA H 1 4.636 0.01 . 1 . . . . 11 ARG HA . 17029 1 108 . 1 1 11 11 ARG HB2 H 1 1.809 0.01 . 1 . . . . 11 ARG HB1 . 17029 1 109 . 1 1 11 11 ARG HB3 H 1 1.962 0.01 . 1 . . . . 11 ARG HB2 . 17029 1 110 . 1 1 11 11 ARG HD2 H 1 3.214 0.01 . 2 . . . . 11 ARG HD1 . 17029 1 111 . 1 1 11 11 ARG HD3 H 1 3.000 0.01 . 2 . . . . 11 ARG HD2 . 17029 1 112 . 1 1 11 11 ARG HE H 1 7.464 0.01 . 1 . . . . 11 ARG HE . 17029 1 113 . 1 1 11 11 ARG HG2 H 1 1.513 0.01 . 2 . . . . 11 ARG HG1 . 17029 1 114 . 1 1 11 11 ARG HG3 H 1 1.395 0.01 . 2 . . . . 11 ARG HG2 . 17029 1 115 . 1 1 11 11 ARG C C 13 174.250 0.15 . 1 . . . . 11 ARG C . 17029 1 116 . 1 1 11 11 ARG CA C 13 57.342 0.15 . 1 . . . . 11 ARG CA . 17029 1 117 . 1 1 11 11 ARG CB C 13 31.522 0.15 . 1 . . . . 11 ARG CB . 17029 1 118 . 1 1 11 11 ARG CD C 13 43.322 0.15 . 1 . . . . 11 ARG CD . 17029 1 119 . 1 1 11 11 ARG CG C 13 28.985 0.15 . 1 . . . . 11 ARG CG . 17029 1 120 . 1 1 11 11 ARG N N 15 129.245 0.05 . 1 . . . . 11 ARG N . 17029 1 121 . 1 1 11 11 ARG NE N 15 83.001 0.05 . 1 . . . . 11 ARG NE . 17029 1 122 . 1 1 12 12 VAL H H 1 9.407 0.01 . 1 . . . . 12 VAL HN . 17029 1 123 . 1 1 12 12 VAL HA H 1 5.284 0.01 . 1 . . . . 12 VAL HA . 17029 1 124 . 1 1 12 12 VAL HB H 1 2.248 0.01 . 1 . . . . 12 VAL HB . 17029 1 125 . 1 1 12 12 VAL HG11 H 1 1.004 0.01 . 1 . . . . 12 VAL HG11 . 17029 1 126 . 1 1 12 12 VAL HG12 H 1 1.004 0.01 . 1 . . . . 12 VAL HG11 . 17029 1 127 . 1 1 12 12 VAL HG13 H 1 1.004 0.01 . 1 . . . . 12 VAL HG11 . 17029 1 128 . 1 1 12 12 VAL HG21 H 1 1.396 0.01 . 1 . . . . 12 VAL HG21 . 17029 1 129 . 1 1 12 12 VAL HG22 H 1 1.396 0.01 . 1 . . . . 12 VAL HG21 . 17029 1 130 . 1 1 12 12 VAL HG23 H 1 1.396 0.01 . 1 . . . . 12 VAL HG21 . 17029 1 131 . 1 1 12 12 VAL C C 13 174.834 0.15 . 1 . . . . 12 VAL C . 17029 1 132 . 1 1 12 12 VAL CA C 13 60.666 0.15 . 1 . . . . 12 VAL CA . 17029 1 133 . 1 1 12 12 VAL CB C 13 34.212 0.15 . 1 . . . . 12 VAL CB . 17029 1 134 . 1 1 12 12 VAL CG1 C 13 23.115 0.15 . 1 . . . . 12 VAL CG1 . 17029 1 135 . 1 1 12 12 VAL CG2 C 13 22.148 0.15 . 1 . . . . 12 VAL CG2 . 17029 1 136 . 1 1 12 12 VAL N N 15 126.308 0.05 . 1 . . . . 12 VAL N . 17029 1 137 . 1 1 13 13 GLU H H 1 9.114 0.01 . 1 . . . . 13 GLU HN . 17029 1 138 . 1 1 13 13 GLU HA H 1 5.053 0.01 . 1 . . . . 13 GLU HA . 17029 1 139 . 1 1 13 13 GLU HB2 H 1 2.027 0.01 . 1 . . . . 13 GLU HB1 . 17029 1 140 . 1 1 13 13 GLU HB3 H 1 1.875 0.01 . 1 . . . . 13 GLU HB2 . 17029 1 141 . 1 1 13 13 GLU HG2 H 1 2.095 0.01 . 2 . . . . 13 GLU HG1 . 17029 1 142 . 1 1 13 13 GLU HG3 H 1 1.977 0.01 . 2 . . . . 13 GLU HG2 . 17029 1 143 . 1 1 13 13 GLU C C 13 175.838 0.15 . 1 . . . . 13 GLU C . 17029 1 144 . 1 1 13 13 GLU CA C 13 54.514 0.15 . 1 . . . . 13 GLU CA . 17029 1 145 . 1 1 13 13 GLU CB C 13 32.930 0.15 . 1 . . . . 13 GLU CB . 17029 1 146 . 1 1 13 13 GLU CG C 13 36.980 0.15 . 1 . . . . 13 GLU CG . 17029 1 147 . 1 1 13 13 GLU N N 15 127.451 0.05 . 1 . . . . 13 GLU N . 17029 1 148 . 1 1 14 14 LEU H H 1 8.343 0.01 . 1 . . . . 14 LEU HN . 17029 1 149 . 1 1 14 14 LEU HA H 1 4.766 0.01 . 1 . . . . 14 LEU HA . 17029 1 150 . 1 1 14 14 LEU HB2 H 1 1.100 0.01 . 2 . . . . 14 LEU HB1 . 17029 1 151 . 1 1 14 14 LEU HB3 H 1 -0.131 0.01 . 2 . . . . 14 LEU HB2 . 17029 1 152 . 1 1 14 14 LEU HD11 H 1 0.367 0.01 . 2 . . . . 14 LEU HD11 . 17029 1 153 . 1 1 14 14 LEU HD12 H 1 0.367 0.01 . 2 . . . . 14 LEU HD11 . 17029 1 154 . 1 1 14 14 LEU HD13 H 1 0.367 0.01 . 2 . . . . 14 LEU HD11 . 17029 1 155 . 1 1 14 14 LEU HD21 H 1 0.466 0.01 . 2 . . . . 14 LEU HD21 . 17029 1 156 . 1 1 14 14 LEU HD22 H 1 0.466 0.01 . 2 . . . . 14 LEU HD21 . 17029 1 157 . 1 1 14 14 LEU HD23 H 1 0.466 0.01 . 2 . . . . 14 LEU HD21 . 17029 1 158 . 1 1 14 14 LEU HG H 1 0.984 0.01 . 1 . . . . 14 LEU HG . 17029 1 159 . 1 1 14 14 LEU C C 13 175.817 0.15 . 1 . . . . 14 LEU C . 17029 1 160 . 1 1 14 14 LEU CA C 13 53.951 0.15 . 1 . . . . 14 LEU CA . 17029 1 161 . 1 1 14 14 LEU CB C 13 43.206 0.15 . 1 . . . . 14 LEU CB . 17029 1 162 . 1 1 14 14 LEU CD1 C 13 26.269 0.15 . 2 . . . . 14 LEU CD1 . 17029 1 163 . 1 1 14 14 LEU CD2 C 13 22.139 0.15 . 2 . . . . 14 LEU CD2 . 17029 1 164 . 1 1 14 14 LEU CG C 13 26.798 0.15 . 1 . . . . 14 LEU CG . 17029 1 165 . 1 1 14 14 LEU N N 15 127.620 0.05 . 1 . . . . 14 LEU N . 17029 1 166 . 1 1 15 15 ILE H H 1 8.340 0.01 . 1 . . . . 15 ILE HN . 17029 1 167 . 1 1 15 15 ILE HA H 1 4.264 0.01 . 1 . . . . 15 ILE HA . 17029 1 168 . 1 1 15 15 ILE HB H 1 1.742 0.01 . 1 . . . . 15 ILE HB . 17029 1 169 . 1 1 15 15 ILE HD11 H 1 0.838 0.01 . 1 . . . . 15 ILE HD11 . 17029 1 170 . 1 1 15 15 ILE HD12 H 1 0.838 0.01 . 1 . . . . 15 ILE HD11 . 17029 1 171 . 1 1 15 15 ILE HD13 H 1 0.838 0.01 . 1 . . . . 15 ILE HD11 . 17029 1 172 . 1 1 15 15 ILE HG12 H 1 1.464 0.01 . 2 . . . . 15 ILE HG11 . 17029 1 173 . 1 1 15 15 ILE HG13 H 1 1.165 0.01 . 2 . . . . 15 ILE HG12 . 17029 1 174 . 1 1 15 15 ILE HG21 H 1 0.861 0.01 . 1 . . . . 15 ILE HG21 . 17029 1 175 . 1 1 15 15 ILE HG22 H 1 0.861 0.01 . 1 . . . . 15 ILE HG21 . 17029 1 176 . 1 1 15 15 ILE HG23 H 1 0.861 0.01 . 1 . . . . 15 ILE HG21 . 17029 1 177 . 1 1 15 15 ILE C C 13 175.381 0.15 . 1 . . . . 15 ILE C . 17029 1 178 . 1 1 15 15 ILE CA C 13 60.353 0.15 . 1 . . . . 15 ILE CA . 17029 1 179 . 1 1 15 15 ILE CB C 13 38.400 0.15 . 1 . . . . 15 ILE CB . 17029 1 180 . 1 1 15 15 ILE CD1 C 13 12.709 0.15 . 1 . . . . 15 ILE CD1 . 17029 1 181 . 1 1 15 15 ILE CG1 C 13 27.415 0.15 . 1 . . . . 15 ILE CG1 . 17029 1 182 . 1 1 15 15 ILE CG2 C 13 17.025 0.15 . 1 . . . . 15 ILE CG2 . 17029 1 183 . 1 1 15 15 ILE N N 15 126.082 0.05 . 1 . . . . 15 ILE N . 17029 1 184 . 1 1 16 16 ASN H H 1 8.702 0.01 . 1 . . . . 16 ASN HN . 17029 1 185 . 1 1 16 16 ASN HA H 1 4.808 0.01 . 1 . . . . 16 ASN HA . 17029 1 186 . 1 1 16 16 ASN HB2 H 1 2.805 0.01 . 2 . . . . 16 ASN HB1 . 17029 1 187 . 1 1 16 16 ASN HB3 H 1 2.692 0.01 . 2 . . . . 16 ASN HB2 . 17029 1 188 . 1 1 16 16 ASN HD21 H 1 7.677 0.01 . 2 . . . . 16 ASN HD21 . 17029 1 189 . 1 1 16 16 ASN HD22 H 1 6.806 0.01 . 2 . . . . 16 ASN HD22 . 17029 1 190 . 1 1 16 16 ASN C C 13 174.560 0.15 . 1 . . . . 16 ASN C . 17029 1 191 . 1 1 16 16 ASN CA C 13 52.770 0.15 . 1 . . . . 16 ASN CA . 17029 1 192 . 1 1 16 16 ASN CB C 13 39.537 0.15 . 1 . . . . 16 ASN CB . 17029 1 193 . 1 1 16 16 ASN N N 15 125.101 0.05 . 1 . . . . 16 ASN N . 17029 1 194 . 1 1 16 16 ASN ND2 N 15 111.979 0.05 . 1 . . . . 16 ASN ND2 . 17029 1 195 . 1 1 17 17 GLY H H 1 8.312 0.01 . 1 . . . . 17 GLY HN . 17029 1 196 . 1 1 17 17 GLY HA2 H 1 3.983 0.01 . 2 . . . . 17 GLY HA1 . 17029 1 197 . 1 1 17 17 GLY HA3 H 1 3.983 0.01 . 2 . . . . 17 GLY HA2 . 17029 1 198 . 1 1 17 17 GLY C C 13 173.797 0.15 . 1 . . . . 17 GLY C . 17029 1 199 . 1 1 17 17 GLY CA C 13 45.474 0.15 . 1 . . . . 17 GLY CA . 17029 1 200 . 1 1 17 17 GLY N N 15 109.362 0.05 . 1 . . . . 17 GLY N . 17029 1 201 . 1 1 18 18 ASN H H 1 8.446 0.01 . 1 . . . . 18 ASN HN . 17029 1 202 . 1 1 18 18 ASN HA H 1 4.695 0.01 . 1 . . . . 18 ASN HA . 17029 1 203 . 1 1 18 18 ASN HB2 H 1 2.801 0.01 . 1 . . . . 18 ASN HB1 . 17029 1 204 . 1 1 18 18 ASN HB3 H 1 2.712 0.01 . 1 . . . . 18 ASN HB2 . 17029 1 205 . 1 1 18 18 ASN HD21 H 1 7.633 0.01 . 2 . . . . 18 ASN HD21 . 17029 1 206 . 1 1 18 18 ASN HD22 H 1 6.946 0.01 . 2 . . . . 18 ASN HD22 . 17029 1 207 . 1 1 18 18 ASN C C 13 175.451 0.15 . 1 . . . . 18 ASN C . 17029 1 208 . 1 1 18 18 ASN CA C 13 53.176 0.15 . 1 . . . . 18 ASN CA . 17029 1 209 . 1 1 18 18 ASN CB C 13 38.952 0.15 . 1 . . . . 18 ASN CB . 17029 1 210 . 1 1 18 18 ASN N N 15 118.548 0.05 . 1 . . . . 18 ASN N . 17029 1 211 . 1 1 18 18 ASN ND2 N 15 112.908 0.05 . 1 . . . . 18 ASN ND2 . 17029 1 212 . 1 1 19 19 GLU H H 1 8.604 0.01 . 1 . . . . 19 GLU HN . 17029 1 213 . 1 1 19 19 GLU HA H 1 4.161 0.01 . 1 . . . . 19 GLU HA . 17029 1 214 . 1 1 19 19 GLU HB2 H 1 1.946 0.01 . 1 . . . . 19 GLU HB1 . 17029 1 215 . 1 1 19 19 GLU HB3 H 1 1.875 0.01 . 1 . . . . 19 GLU HB2 . 17029 1 216 . 1 1 19 19 GLU HG2 H 1 2.188 0.01 . 2 . . . . 19 GLU HG1 . 17029 1 217 . 1 1 19 19 GLU HG3 H 1 2.129 0.01 . 2 . . . . 19 GLU HG2 . 17029 1 218 . 1 1 19 19 GLU C C 13 176.284 0.15 . 1 . . . . 19 GLU C . 17029 1 219 . 1 1 19 19 GLU CA C 13 57.193 0.15 . 1 . . . . 19 GLU CA . 17029 1 220 . 1 1 19 19 GLU CB C 13 29.933 0.15 . 1 . . . . 19 GLU CB . 17029 1 221 . 1 1 19 19 GLU CG C 13 36.220 0.15 . 1 . . . . 19 GLU CG . 17029 1 222 . 1 1 19 19 GLU N N 15 121.114 0.05 . 1 . . . . 19 GLU N . 17029 1 223 . 1 1 20 20 HIS H H 1 8.493 0.01 . 1 . . . . 20 HIS HN . 17029 1 224 . 1 1 20 20 HIS HA H 1 4.664 0.01 . 1 . . . . 20 HIS HA . 17029 1 225 . 1 1 20 20 HIS HB2 H 1 3.193 0.01 . 1 . . . . 20 HIS HB1 . 17029 1 226 . 1 1 20 20 HIS HB3 H 1 3.096 0.01 . 1 . . . . 20 HIS HB2 . 17029 1 227 . 1 1 20 20 HIS HD2 H 1 7.117 0.01 . 1 . . . . 20 HIS HD2 . 17029 1 228 . 1 1 20 20 HIS C C 13 174.834 0.15 . 1 . . . . 20 HIS C . 17029 1 229 . 1 1 20 20 HIS CA C 13 55.695 0.15 . 1 . . . . 20 HIS CA . 17029 1 230 . 1 1 20 20 HIS CB C 13 29.760 0.15 . 1 . . . . 20 HIS CB . 17029 1 231 . 1 1 20 20 HIS CD2 C 13 119.798 0.15 . 1 . . . . 20 HIS CD2 . 17029 1 232 . 1 1 20 20 HIS N N 15 120.023 0.05 . 1 . . . . 20 HIS N . 17029 1 233 . 1 1 21 21 ARG H H 1 8.360 0.01 . 1 . . . . 21 ARG HN . 17029 1 234 . 1 1 21 21 ARG HA H 1 4.399 0.01 . 1 . . . . 21 ARG HA . 17029 1 235 . 1 1 21 21 ARG HB2 H 1 1.849 0.01 . 1 . . . . 21 ARG HB1 . 17029 1 236 . 1 1 21 21 ARG HB3 H 1 1.757 0.01 . 1 . . . . 21 ARG HB2 . 17029 1 237 . 1 1 21 21 ARG HD2 H 1 3.173 0.01 . 2 . . . . 21 ARG HD1 . 17029 1 238 . 1 1 21 21 ARG HD3 H 1 3.173 0.01 . 2 . . . . 21 ARG HD2 . 17029 1 239 . 1 1 21 21 ARG HG2 H 1 1.586 0.01 . 2 . . . . 21 ARG HG1 . 17029 1 240 . 1 1 21 21 ARG HG3 H 1 1.586 0.01 . 2 . . . . 21 ARG HG2 . 17029 1 241 . 1 1 21 21 ARG C C 13 176.501 0.15 . 1 . . . . 21 ARG C . 17029 1 242 . 1 1 21 21 ARG CA C 13 56.232 0.15 . 1 . . . . 21 ARG CA . 17029 1 243 . 1 1 21 21 ARG CB C 13 30.945 0.15 . 1 . . . . 21 ARG CB . 17029 1 244 . 1 1 21 21 ARG CD C 13 43.328 0.15 . 1 . . . . 21 ARG CD . 17029 1 245 . 1 1 21 21 ARG CG C 13 27.150 0.15 . 1 . . . . 21 ARG CG . 17029 1 246 . 1 1 21 21 ARG N N 15 122.739 0.05 . 1 . . . . 21 ARG N . 17029 1 247 . 1 1 22 22 THR H H 1 8.365 0.01 . 1 . . . . 22 THR HN . 17029 1 248 . 1 1 22 22 THR HA H 1 4.403 0.01 . 1 . . . . 22 THR HA . 17029 1 249 . 1 1 22 22 THR HB H 1 4.285 0.01 . 1 . . . . 22 THR HB . 17029 1 250 . 1 1 22 22 THR HG21 H 1 1.191 0.01 . 1 . . . . 22 THR HG21 . 17029 1 251 . 1 1 22 22 THR HG22 H 1 1.191 0.01 . 1 . . . . 22 THR HG21 . 17029 1 252 . 1 1 22 22 THR HG23 H 1 1.191 0.01 . 1 . . . . 22 THR HG21 . 17029 1 253 . 1 1 22 22 THR C C 13 174.692 0.15 . 1 . . . . 22 THR C . 17029 1 254 . 1 1 22 22 THR CA C 13 61.708 0.15 . 1 . . . . 22 THR CA . 17029 1 255 . 1 1 22 22 THR CB C 13 69.946 0.15 . 1 . . . . 22 THR CB . 17029 1 256 . 1 1 22 22 THR CG2 C 13 21.580 0.15 . 1 . . . . 22 THR CG2 . 17029 1 257 . 1 1 22 22 THR N N 15 115.153 0.05 . 1 . . . . 22 THR N . 17029 1 258 . 1 1 23 23 SER H H 1 8.385 0.01 . 1 . . . . 23 SER HN . 17029 1 259 . 1 1 23 23 SER HA H 1 4.498 0.01 . 1 . . . . 23 SER HA . 17029 1 260 . 1 1 23 23 SER HB2 H 1 3.941 0.01 . 2 . . . . 23 SER HB1 . 17029 1 261 . 1 1 23 23 SER HB3 H 1 3.845 0.01 . 2 . . . . 23 SER HB2 . 17029 1 262 . 1 1 23 23 SER C C 13 174.601 0.15 . 1 . . . . 23 SER C . 17029 1 263 . 1 1 23 23 SER CA C 13 58.393 0.15 . 1 . . . . 23 SER CA . 17029 1 264 . 1 1 23 23 SER CB C 13 63.908 0.15 . 1 . . . . 23 SER CB . 17029 1 265 . 1 1 23 23 SER N N 15 117.506 0.05 . 1 . . . . 23 SER N . 17029 1 266 . 1 1 24 24 SER H H 1 8.443 0.01 . 1 . . . . 24 SER HN . 17029 1 267 . 1 1 24 24 SER HA H 1 4.492 0.01 . 1 . . . . 24 SER HA . 17029 1 268 . 1 1 24 24 SER HB2 H 1 3.873 0.01 . 2 . . . . 24 SER HB1 . 17029 1 269 . 1 1 24 24 SER HB3 H 1 3.908 0.01 . 2 . . . . 24 SER HB2 . 17029 1 270 . 1 1 24 24 SER C C 13 174.350 0.15 . 1 . . . . 24 SER C . 17029 1 271 . 1 1 24 24 SER CA C 13 58.667 0.15 . 1 . . . . 24 SER CA . 17029 1 272 . 1 1 24 24 SER CB C 13 63.697 0.15 . 1 . . . . 24 SER CB . 17029 1 273 . 1 1 24 24 SER N N 15 117.488 0.05 . 1 . . . . 24 SER N . 17029 1 274 . 1 1 25 25 THR H H 1 8.047 0.01 . 1 . . . . 25 THR HN . 17029 1 275 . 1 1 25 25 THR HA H 1 4.634 0.01 . 1 . . . . 25 THR HA . 17029 1 276 . 1 1 25 25 THR HB H 1 4.202 0.01 . 1 . . . . 25 THR HB . 17029 1 277 . 1 1 25 25 THR HG21 H 1 1.212 0.01 . 1 . . . . 25 THR HG21 . 17029 1 278 . 1 1 25 25 THR HG22 H 1 1.212 0.01 . 1 . . . . 25 THR HG21 . 17029 1 279 . 1 1 25 25 THR HG23 H 1 1.212 0.01 . 1 . . . . 25 THR HG21 . 17029 1 280 . 1 1 25 25 THR CA C 13 59.733 0.15 . 1 . . . . 25 THR CA . 17029 1 281 . 1 1 25 25 THR CB C 13 69.632 0.15 . 1 . . . . 25 THR CB . 17029 1 282 . 1 1 25 25 THR CG2 C 13 21.462 0.15 . 1 . . . . 25 THR CG2 . 17029 1 283 . 1 1 25 25 THR N N 15 117.193 0.05 . 1 . . . . 25 THR N . 17029 1 284 . 1 1 26 26 PRO HA H 1 4.364 0.01 . 1 . . . . 26 PRO HA . 17029 1 285 . 1 1 26 26 PRO HB2 H 1 2.297 0.01 . 2 . . . . 26 PRO HB1 . 17029 1 286 . 1 1 26 26 PRO HB3 H 1 1.888 0.01 . 2 . . . . 26 PRO HB2 . 17029 1 287 . 1 1 26 26 PRO HD2 H 1 3.822 0.01 . 2 . . . . 26 PRO HD1 . 17029 1 288 . 1 1 26 26 PRO HD3 H 1 3.685 0.01 . 2 . . . . 26 PRO HD2 . 17029 1 289 . 1 1 26 26 PRO HG2 H 1 2.029 0.01 . 2 . . . . 26 PRO HG1 . 17029 1 290 . 1 1 26 26 PRO HG3 H 1 1.965 0.01 . 2 . . . . 26 PRO HG2 . 17029 1 291 . 1 1 26 26 PRO C C 13 177.008 0.15 . 1 . . . . 26 PRO C . 17029 1 292 . 1 1 26 26 PRO CA C 13 63.730 0.15 . 1 . . . . 26 PRO CA . 17029 1 293 . 1 1 26 26 PRO CB C 13 32.041 0.15 . 1 . . . . 26 PRO CB . 17029 1 294 . 1 1 26 26 PRO CD C 13 51.008 0.15 . 1 . . . . 26 PRO CD . 17029 1 295 . 1 1 26 26 PRO CG C 13 27.490 0.15 . 1 . . . . 26 PRO CG . 17029 1 296 . 1 1 27 27 GLN H H 1 8.431 0.01 . 1 . . . . 27 GLN HN . 17029 1 297 . 1 1 27 27 GLN HA H 1 4.251 0.01 . 1 . . . . 27 GLN HA . 17029 1 298 . 1 1 27 27 GLN HB2 H 1 2.098 0.01 . 1 . . . . 27 GLN HB1 . 17029 1 299 . 1 1 27 27 GLN HB3 H 1 1.967 0.01 . 1 . . . . 27 GLN HB2 . 17029 1 300 . 1 1 27 27 GLN HE21 H 1 7.565 0.01 . 2 . . . . 27 GLN HE21 . 17029 1 301 . 1 1 27 27 GLN HE22 H 1 6.900 0.01 . 2 . . . . 27 GLN HE22 . 17029 1 302 . 1 1 27 27 GLN HG2 H 1 2.367 0.01 . 2 . . . . 27 GLN HG1 . 17029 1 303 . 1 1 27 27 GLN HG3 H 1 2.367 0.01 . 2 . . . . 27 GLN HG2 . 17029 1 304 . 1 1 27 27 GLN C C 13 175.779 0.15 . 1 . . . . 27 GLN C . 17029 1 305 . 1 1 27 27 GLN CA C 13 56.102 0.15 . 1 . . . . 27 GLN CA . 17029 1 306 . 1 1 27 27 GLN CB C 13 29.390 0.15 . 1 . . . . 27 GLN CB . 17029 1 307 . 1 1 27 27 GLN CG C 13 33.983 0.15 . 1 . . . . 27 GLN CG . 17029 1 308 . 1 1 27 27 GLN N N 15 119.229 0.05 . 1 . . . . 27 GLN N . 17029 1 309 . 1 1 27 27 GLN NE2 N 15 112.871 0.05 . 1 . . . . 27 GLN NE2 . 17029 1 310 . 1 1 28 28 GLN H H 1 8.195 0.01 . 1 . . . . 28 GLN HN . 17029 1 311 . 1 1 28 28 GLN HA H 1 4.622 0.01 . 1 . . . . 28 GLN HA . 17029 1 312 . 1 1 28 28 GLN HB2 H 1 2.081 0.01 . 1 . . . . 28 GLN HB1 . 17029 1 313 . 1 1 28 28 GLN HB3 H 1 1.914 0.01 . 1 . . . . 28 GLN HB2 . 17029 1 314 . 1 1 28 28 GLN HE21 H 1 7.604 0.01 . 2 . . . . 28 GLN HE21 . 17029 1 315 . 1 1 28 28 GLN HE22 H 1 6.911 0.01 . 2 . . . . 28 GLN HE22 . 17029 1 316 . 1 1 28 28 GLN HG2 H 1 2.350 0.01 . 2 . . . . 28 GLN HG1 . 17029 1 317 . 1 1 28 28 GLN HG3 H 1 2.350 0.01 . 2 . . . . 28 GLN HG2 . 17029 1 318 . 1 1 28 28 GLN CA C 13 53.590 0.15 . 1 . . . . 28 GLN CA . 17029 1 319 . 1 1 28 28 GLN CB C 13 28.948 0.15 . 1 . . . . 28 GLN CB . 17029 1 320 . 1 1 28 28 GLN CG C 13 33.463 0.15 . 1 . . . . 28 GLN CG . 17029 1 321 . 1 1 28 28 GLN N N 15 121.513 0.05 . 1 . . . . 28 GLN N . 17029 1 322 . 1 1 28 28 GLN NE2 N 15 112.904 0.05 . 1 . . . . 28 GLN NE2 . 17029 1 323 . 1 1 29 29 PRO HA H 1 4.398 0.01 . 1 . . . . 29 PRO HA . 17029 1 324 . 1 1 29 29 PRO HB2 H 1 2.280 0.01 . 2 . . . . 29 PRO HB1 . 17029 1 325 . 1 1 29 29 PRO HB3 H 1 1.875 0.01 . 2 . . . . 29 PRO HB2 . 17029 1 326 . 1 1 29 29 PRO HD2 H 1 3.743 0.01 . 2 . . . . 29 PRO HD1 . 17029 1 327 . 1 1 29 29 PRO HD3 H 1 3.635 0.01 . 2 . . . . 29 PRO HD2 . 17029 1 328 . 1 1 29 29 PRO HG2 H 1 2.026 0.01 . 2 . . . . 29 PRO HG1 . 17029 1 329 . 1 1 29 29 PRO HG3 H 1 1.981 0.01 . 2 . . . . 29 PRO HG2 . 17029 1 330 . 1 1 29 29 PRO C C 13 176.842 0.15 . 1 . . . . 29 PRO C . 17029 1 331 . 1 1 29 29 PRO CA C 13 63.340 0.15 . 1 . . . . 29 PRO CA . 17029 1 332 . 1 1 29 29 PRO CB C 13 32.109 0.15 . 1 . . . . 29 PRO CB . 17029 1 333 . 1 1 29 29 PRO CD C 13 50.632 0.15 . 1 . . . . 29 PRO CD . 17029 1 334 . 1 1 29 29 PRO CG C 13 27.486 0.15 . 1 . . . . 29 PRO CG . 17029 1 335 . 1 1 30 30 GLN H H 1 8.549 0.01 . 1 . . . . 30 GLN HN . 17029 1 336 . 1 1 30 30 GLN HA H 1 4.318 0.01 . 1 . . . . 30 GLN HA . 17029 1 337 . 1 1 30 30 GLN HB2 H 1 2.072 0.01 . 1 . . . . 30 GLN HB1 . 17029 1 338 . 1 1 30 30 GLN HB3 H 1 1.952 0.01 . 1 . . . . 30 GLN HB2 . 17029 1 339 . 1 1 30 30 GLN HE21 H 1 7.604 0.01 . 2 . . . . 30 GLN HE21 . 17029 1 340 . 1 1 30 30 GLN HE22 H 1 6.911 0.01 . 2 . . . . 30 GLN HE22 . 17029 1 341 . 1 1 30 30 GLN HG2 H 1 2.355 0.01 . 2 . . . . 30 GLN HG1 . 17029 1 342 . 1 1 30 30 GLN HG3 H 1 2.355 0.01 . 2 . . . . 30 GLN HG2 . 17029 1 343 . 1 1 30 30 GLN C C 13 175.611 0.15 . 1 . . . . 30 GLN C . 17029 1 344 . 1 1 30 30 GLN CA C 13 55.528 0.15 . 1 . . . . 30 GLN CA . 17029 1 345 . 1 1 30 30 GLN CB C 13 29.900 0.15 . 1 . . . . 30 GLN CB . 17029 1 346 . 1 1 30 30 GLN CG C 13 33.763 0.15 . 1 . . . . 30 GLN CG . 17029 1 347 . 1 1 30 30 GLN N N 15 120.930 0.05 . 1 . . . . 30 GLN N . 17029 1 348 . 1 1 30 30 GLN NE2 N 15 112.904 0.05 . 1 . . . . 30 GLN NE2 . 17029 1 349 . 1 1 31 31 GLN H H 1 8.449 0.01 . 1 . . . . 31 GLN HN . 17029 1 350 . 1 1 31 31 GLN HA H 1 4.323 0.01 . 1 . . . . 31 GLN HA . 17029 1 351 . 1 1 31 31 GLN HB2 H 1 2.027 0.01 . 1 . . . . 31 GLN HB1 . 17029 1 352 . 1 1 31 31 GLN HB3 H 1 1.922 0.01 . 1 . . . . 31 GLN HB2 . 17029 1 353 . 1 1 31 31 GLN HE21 H 1 7.565 0.01 . 2 . . . . 31 GLN HE21 . 17029 1 354 . 1 1 31 31 GLN HE22 H 1 6.867 0.01 . 2 . . . . 31 GLN HE22 . 17029 1 355 . 1 1 31 31 GLN HG2 H 1 2.303 0.01 . 2 . . . . 31 GLN HG1 . 17029 1 356 . 1 1 31 31 GLN HG3 H 1 2.303 0.01 . 2 . . . . 31 GLN HG2 . 17029 1 357 . 1 1 31 31 GLN C C 13 175.603 0.15 . 1 . . . . 31 GLN C . 17029 1 358 . 1 1 31 31 GLN CA C 13 55.164 0.15 . 1 . . . . 31 GLN CA . 17029 1 359 . 1 1 31 31 GLN CB C 13 29.738 0.15 . 1 . . . . 31 GLN CB . 17029 1 360 . 1 1 31 31 GLN CG C 13 33.723 0.15 . 1 . . . . 31 GLN CG . 17029 1 361 . 1 1 31 31 GLN N N 15 121.798 0.05 . 1 . . . . 31 GLN N . 17029 1 362 . 1 1 31 31 GLN NE2 N 15 112.717 0.05 . 1 . . . . 31 GLN NE2 . 17029 1 363 . 1 1 32 32 ASN H H 1 8.706 0.01 . 1 . . . . 32 ASN HN . 17029 1 364 . 1 1 32 32 ASN HA H 1 5.026 0.01 . 1 . . . . 32 ASN HA . 17029 1 365 . 1 1 32 32 ASN HB2 H 1 3.192 0.01 . 1 . . . . 32 ASN HB1 . 17029 1 366 . 1 1 32 32 ASN HB3 H 1 2.494 0.01 . 1 . . . . 32 ASN HB2 . 17029 1 367 . 1 1 32 32 ASN HD21 H 1 8.255 0.01 . 2 . . . . 32 ASN HD21 . 17029 1 368 . 1 1 32 32 ASN HD22 H 1 7.040 0.01 . 2 . . . . 32 ASN HD22 . 17029 1 369 . 1 1 32 32 ASN CA C 13 51.602 0.15 . 1 . . . . 32 ASN CA . 17029 1 370 . 1 1 32 32 ASN CB C 13 37.923 0.15 . 1 . . . . 32 ASN CB . 17029 1 371 . 1 1 32 32 ASN N N 15 123.475 0.05 . 1 . . . . 32 ASN N . 17029 1 372 . 1 1 32 32 ASN ND2 N 15 115.452 0.05 . 1 . . . . 32 ASN ND2 . 17029 1 373 . 1 1 33 33 PRO HA H 1 4.638 0.01 . 1 . . . . 33 PRO HA . 17029 1 374 . 1 1 33 33 PRO HB2 H 1 2.542 0.01 . 2 . . . . 33 PRO HB1 . 17029 1 375 . 1 1 33 33 PRO HB3 H 1 1.978 0.01 . 2 . . . . 33 PRO HB2 . 17029 1 376 . 1 1 33 33 PRO HD2 H 1 3.991 0.01 . 2 . . . . 33 PRO HD1 . 17029 1 377 . 1 1 33 33 PRO HD3 H 1 3.915 0.01 . 2 . . . . 33 PRO HD2 . 17029 1 378 . 1 1 33 33 PRO HG2 H 1 2.087 0.01 . 2 . . . . 33 PRO HG1 . 17029 1 379 . 1 1 33 33 PRO HG3 H 1 2.087 0.01 . 2 . . . . 33 PRO HG2 . 17029 1 380 . 1 1 33 33 PRO C C 13 174.907 0.15 . 1 . . . . 33 PRO C . 17029 1 381 . 1 1 33 33 PRO CA C 13 63.326 0.15 . 1 . . . . 33 PRO CA . 17029 1 382 . 1 1 33 33 PRO CB C 13 32.517 0.15 . 1 . . . . 33 PRO CB . 17029 1 383 . 1 1 33 33 PRO CD C 13 50.480 0.15 . 1 . . . . 33 PRO CD . 17029 1 384 . 1 1 33 33 PRO CG C 13 27.841 0.15 . 1 . . . . 33 PRO CG . 17029 1 385 . 1 1 34 34 SER H H 1 8.493 0.01 . 1 . . . . 34 SER HN . 17029 1 386 . 1 1 34 34 SER HA H 1 6.089 0.01 . 1 . . . . 34 SER HA . 17029 1 387 . 1 1 34 34 SER HB2 H 1 3.739 0.01 . 2 . . . . 34 SER HB1 . 17029 1 388 . 1 1 34 34 SER HB3 H 1 3.739 0.01 . 2 . . . . 34 SER HB2 . 17029 1 389 . 1 1 34 34 SER C C 13 173.565 0.15 . 1 . . . . 34 SER C . 17029 1 390 . 1 1 34 34 SER CA C 13 57.141 0.15 . 1 . . . . 34 SER CA . 17029 1 391 . 1 1 34 34 SER CB C 13 67.264 0.15 . 1 . . . . 34 SER CB . 17029 1 392 . 1 1 34 34 SER N N 15 114.157 0.05 . 1 . . . . 34 SER N . 17029 1 393 . 1 1 35 35 VAL H H 1 9.163 0.01 . 1 . . . . 35 VAL HN . 17029 1 394 . 1 1 35 35 VAL HA H 1 4.457 0.01 . 1 . . . . 35 VAL HA . 17029 1 395 . 1 1 35 35 VAL HB H 1 1.558 0.01 . 1 . . . . 35 VAL HB . 17029 1 396 . 1 1 35 35 VAL HG11 H 1 0.401 0.01 . 1 . . . . 35 VAL HG11 . 17029 1 397 . 1 1 35 35 VAL HG12 H 1 0.401 0.01 . 1 . . . . 35 VAL HG11 . 17029 1 398 . 1 1 35 35 VAL HG13 H 1 0.401 0.01 . 1 . . . . 35 VAL HG11 . 17029 1 399 . 1 1 35 35 VAL HG21 H 1 0.319 0.01 . 1 . . . . 35 VAL HG21 . 17029 1 400 . 1 1 35 35 VAL HG22 H 1 0.319 0.01 . 1 . . . . 35 VAL HG21 . 17029 1 401 . 1 1 35 35 VAL HG23 H 1 0.319 0.01 . 1 . . . . 35 VAL HG21 . 17029 1 402 . 1 1 35 35 VAL C C 13 172.615 0.15 . 1 . . . . 35 VAL C . 17029 1 403 . 1 1 35 35 VAL CA C 13 60.173 0.15 . 1 . . . . 35 VAL CA . 17029 1 404 . 1 1 35 35 VAL CB C 13 35.630 0.15 . 1 . . . . 35 VAL CB . 17029 1 405 . 1 1 35 35 VAL CG1 C 13 20.123 0.15 . 1 . . . . 35 VAL CG1 . 17029 1 406 . 1 1 35 35 VAL CG2 C 13 20.087 0.15 . 1 . . . . 35 VAL CG2 . 17029 1 407 . 1 1 35 35 VAL N N 15 121.539 0.05 . 1 . . . . 35 VAL N . 17029 1 408 . 1 1 36 36 SER H H 1 8.332 0.01 . 1 . . . . 36 SER HN . 17029 1 409 . 1 1 36 36 SER HA H 1 5.126 0.01 . 1 . . . . 36 SER HA . 17029 1 410 . 1 1 36 36 SER HB2 H 1 3.546 0.01 . 1 . . . . 36 SER HB1 . 17029 1 411 . 1 1 36 36 SER HB3 H 1 3.672 0.01 . 1 . . . . 36 SER HB2 . 17029 1 412 . 1 1 36 36 SER C C 13 173.405 0.15 . 1 . . . . 36 SER C . 17029 1 413 . 1 1 36 36 SER CA C 13 58.102 0.15 . 1 . . . . 36 SER CA . 17029 1 414 . 1 1 36 36 SER CB C 13 63.644 0.15 . 1 . . . . 36 SER CB . 17029 1 415 . 1 1 36 36 SER N N 15 119.813 0.05 . 1 . . . . 36 SER N . 17029 1 416 . 1 1 37 37 HIS H H 1 8.969 0.01 . 1 . . . . 37 HIS HN . 17029 1 417 . 1 1 37 37 HIS HA H 1 4.656 0.01 . 1 . . . . 37 HIS HA . 17029 1 418 . 1 1 37 37 HIS HB2 H 1 2.714 0.01 . 1 . . . . 37 HIS HB1 . 17029 1 419 . 1 1 37 37 HIS HB3 H 1 2.540 0.01 . 1 . . . . 37 HIS HB2 . 17029 1 420 . 1 1 37 37 HIS HD2 H 1 3.856 0.01 . 1 . . . . 37 HIS HD2 . 17029 1 421 . 1 1 37 37 HIS HE1 H 1 7.827 0.01 . 1 . . . . 37 HIS HE1 . 17029 1 422 . 1 1 37 37 HIS C C 13 172.543 0.15 . 1 . . . . 37 HIS C . 17029 1 423 . 1 1 37 37 HIS CA C 13 54.826 0.15 . 1 . . . . 37 HIS CA . 17029 1 424 . 1 1 37 37 HIS CB C 13 34.901 0.15 . 1 . . . . 37 HIS CB . 17029 1 425 . 1 1 37 37 HIS CD2 C 13 118.336 0.15 . 1 . . . . 37 HIS CD2 . 17029 1 426 . 1 1 37 37 HIS CE1 C 13 137.337 0.15 . 1 . . . . 37 HIS CE1 . 17029 1 427 . 1 1 37 37 HIS N N 15 126.010 0.05 . 1 . . . . 37 HIS N . 17029 1 428 . 1 1 38 38 ILE H H 1 7.418 0.01 . 1 . . . . 38 ILE HN . 17029 1 429 . 1 1 38 38 ILE HA H 1 4.172 0.01 . 1 . . . . 38 ILE HA . 17029 1 430 . 1 1 38 38 ILE HB H 1 1.489 0.01 . 1 . . . . 38 ILE HB . 17029 1 431 . 1 1 38 38 ILE HD11 H 1 0.717 0.01 . 1 . . . . 38 ILE HD11 . 17029 1 432 . 1 1 38 38 ILE HD12 H 1 0.717 0.01 . 1 . . . . 38 ILE HD11 . 17029 1 433 . 1 1 38 38 ILE HD13 H 1 0.717 0.01 . 1 . . . . 38 ILE HD11 . 17029 1 434 . 1 1 38 38 ILE HG12 H 1 1.414 0.01 . 2 . . . . 38 ILE HG11 . 17029 1 435 . 1 1 38 38 ILE HG13 H 1 0.820 0.01 . 2 . . . . 38 ILE HG12 . 17029 1 436 . 1 1 38 38 ILE HG21 H 1 0.686 0.01 . 1 . . . . 38 ILE HG21 . 17029 1 437 . 1 1 38 38 ILE HG22 H 1 0.686 0.01 . 1 . . . . 38 ILE HG21 . 17029 1 438 . 1 1 38 38 ILE HG23 H 1 0.686 0.01 . 1 . . . . 38 ILE HG21 . 17029 1 439 . 1 1 38 38 ILE C C 13 174.936 0.15 . 1 . . . . 38 ILE C . 17029 1 440 . 1 1 38 38 ILE CA C 13 60.531 0.15 . 1 . . . . 38 ILE CA . 17029 1 441 . 1 1 38 38 ILE CB C 13 36.215 0.15 . 1 . . . . 38 ILE CB . 17029 1 442 . 1 1 38 38 ILE CD1 C 13 12.248 0.15 . 1 . . . . 38 ILE CD1 . 17029 1 443 . 1 1 38 38 ILE CG1 C 13 27.595 0.15 . 1 . . . . 38 ILE CG1 . 17029 1 444 . 1 1 38 38 ILE CG2 C 13 17.988 0.15 . 1 . . . . 38 ILE CG2 . 17029 1 445 . 1 1 38 38 ILE N N 15 126.217 0.05 . 1 . . . . 38 ILE N . 17029 1 446 . 1 1 39 39 PHE H H 1 8.839 0.01 . 1 . . . . 39 PHE HN . 17029 1 447 . 1 1 39 39 PHE HA H 1 4.070 0.01 . 1 . . . . 39 PHE HA . 17029 1 448 . 1 1 39 39 PHE HB2 H 1 2.685 0.01 . 1 . . . . 39 PHE HB1 . 17029 1 449 . 1 1 39 39 PHE HB3 H 1 2.796 0.01 . 1 . . . . 39 PHE HB2 . 17029 1 450 . 1 1 39 39 PHE HD1 H 1 6.940 0.01 . 3 . . . . 39 PHE HD1 . 17029 1 451 . 1 1 39 39 PHE HD2 H 1 6.940 0.01 . 3 . . . . 39 PHE HD2 . 17029 1 452 . 1 1 39 39 PHE HE1 H 1 7.073 0.01 . 3 . . . . 39 PHE HE1 . 17029 1 453 . 1 1 39 39 PHE HE2 H 1 7.073 0.01 . 3 . . . . 39 PHE HE2 . 17029 1 454 . 1 1 39 39 PHE HZ H 1 6.944 0.01 . 1 . . . . 39 PHE HZ . 17029 1 455 . 1 1 39 39 PHE C C 13 173.183 0.15 . 1 . . . . 39 PHE C . 17029 1 456 . 1 1 39 39 PHE CA C 13 57.998 0.15 . 1 . . . . 39 PHE CA . 17029 1 457 . 1 1 39 39 PHE CB C 13 42.467 0.15 . 1 . . . . 39 PHE CB . 17029 1 458 . 1 1 39 39 PHE CD1 C 13 133.439 0.15 . 3 . . . . 39 PHE CD1 . 17029 1 459 . 1 1 39 39 PHE CD2 C 13 133.439 0.15 . 3 . . . . 39 PHE CD2 . 17029 1 460 . 1 1 39 39 PHE CE1 C 13 130.516 0.15 . 3 . . . . 39 PHE CE1 . 17029 1 461 . 1 1 39 39 PHE CE2 C 13 130.516 0.15 . 3 . . . . 39 PHE CE2 . 17029 1 462 . 1 1 39 39 PHE CZ C 13 129.542 0.15 . 1 . . . . 39 PHE CZ . 17029 1 463 . 1 1 39 39 PHE N N 15 125.906 0.05 . 1 . . . . 39 PHE N . 17029 1 464 . 1 1 40 40 ASP H H 1 7.246 0.01 . 1 . . . . 40 ASP HN . 17029 1 465 . 1 1 40 40 ASP HA H 1 4.779 0.01 . 1 . . . . 40 ASP HA . 17029 1 466 . 1 1 40 40 ASP HB2 H 1 2.913 0.01 . 1 . . . . 40 ASP HB1 . 17029 1 467 . 1 1 40 40 ASP HB3 H 1 3.136 0.01 . 1 . . . . 40 ASP HB2 . 17029 1 468 . 1 1 40 40 ASP C C 13 176.229 0.15 . 1 . . . . 40 ASP C . 17029 1 469 . 1 1 40 40 ASP CA C 13 53.027 0.15 . 1 . . . . 40 ASP CA . 17029 1 470 . 1 1 40 40 ASP CB C 13 43.442 0.15 . 1 . . . . 40 ASP CB . 17029 1 471 . 1 1 40 40 ASP N N 15 115.511 0.05 . 1 . . . . 40 ASP N . 17029 1 472 . 1 1 41 41 GLY H H 1 9.073 0.01 . 1 . . . . 41 GLY HN . 17029 1 473 . 1 1 41 41 GLY HA2 H 1 4.874 0.01 . 2 . . . . 41 GLY HA1 . 17029 1 474 . 1 1 41 41 GLY HA3 H 1 3.886 0.01 . 2 . . . . 41 GLY HA2 . 17029 1 475 . 1 1 41 41 GLY C C 13 174.219 0.15 . 1 . . . . 41 GLY C . 17029 1 476 . 1 1 41 41 GLY CA C 13 45.583 0.15 . 1 . . . . 41 GLY CA . 17029 1 477 . 1 1 41 41 GLY N N 15 106.562 0.05 . 1 . . . . 41 GLY N . 17029 1 478 . 1 1 42 42 GLU H H 1 7.914 0.01 . 1 . . . . 42 GLU HN . 17029 1 479 . 1 1 42 42 GLU HA H 1 4.343 0.01 . 1 . . . . 42 GLU HA . 17029 1 480 . 1 1 42 42 GLU HB2 H 1 2.113 0.01 . 1 . . . . 42 GLU HB1 . 17029 1 481 . 1 1 42 42 GLU HB3 H 1 1.976 0.01 . 1 . . . . 42 GLU HB2 . 17029 1 482 . 1 1 42 42 GLU HG2 H 1 2.245 0.01 . 2 . . . . 42 GLU HG1 . 17029 1 483 . 1 1 42 42 GLU HG3 H 1 2.220 0.01 . 2 . . . . 42 GLU HG2 . 17029 1 484 . 1 1 42 42 GLU C C 13 176.276 0.15 . 1 . . . . 42 GLU C . 17029 1 485 . 1 1 42 42 GLU CA C 13 57.208 0.15 . 1 . . . . 42 GLU CA . 17029 1 486 . 1 1 42 42 GLU CB C 13 31.288 0.15 . 1 . . . . 42 GLU CB . 17029 1 487 . 1 1 42 42 GLU CG C 13 36.844 0.15 . 1 . . . . 42 GLU CG . 17029 1 488 . 1 1 42 42 GLU N N 15 118.460 0.05 . 1 . . . . 42 GLU N . 17029 1 489 . 1 1 43 43 THR H H 1 8.369 0.01 . 1 . . . . 43 THR HN . 17029 1 490 . 1 1 43 43 THR HA H 1 4.426 0.01 . 1 . . . . 43 THR HA . 17029 1 491 . 1 1 43 43 THR HB H 1 4.068 0.01 . 1 . . . . 43 THR HB . 17029 1 492 . 1 1 43 43 THR HG21 H 1 0.901 0.01 . 1 . . . . 43 THR HG21 . 17029 1 493 . 1 1 43 43 THR HG22 H 1 0.901 0.01 . 1 . . . . 43 THR HG21 . 17029 1 494 . 1 1 43 43 THR HG23 H 1 0.901 0.01 . 1 . . . . 43 THR HG21 . 17029 1 495 . 1 1 43 43 THR C C 13 173.278 0.15 . 1 . . . . 43 THR C . 17029 1 496 . 1 1 43 43 THR CA C 13 62.285 0.15 . 1 . . . . 43 THR CA . 17029 1 497 . 1 1 43 43 THR CB C 13 68.857 0.15 . 1 . . . . 43 THR CB . 17029 1 498 . 1 1 43 43 THR CG2 C 13 21.050 0.15 . 1 . . . . 43 THR CG2 . 17029 1 499 . 1 1 43 43 THR N N 15 119.253 0.05 . 1 . . . . 43 THR N . 17029 1 500 . 1 1 44 44 ALA H H 1 9.216 0.01 . 1 . . . . 44 ALA HN . 17029 1 501 . 1 1 44 44 ALA HA H 1 3.568 0.01 . 1 . . . . 44 ALA HA . 17029 1 502 . 1 1 44 44 ALA HB1 H 1 1.186 0.01 . 1 . . . . 44 ALA HB1 . 17029 1 503 . 1 1 44 44 ALA HB2 H 1 1.186 0.01 . 1 . . . . 44 ALA HB1 . 17029 1 504 . 1 1 44 44 ALA HB3 H 1 1.186 0.01 . 1 . . . . 44 ALA HB1 . 17029 1 505 . 1 1 44 44 ALA C C 13 178.757 0.15 . 1 . . . . 44 ALA C . 17029 1 506 . 1 1 44 44 ALA CA C 13 52.435 0.15 . 1 . . . . 44 ALA CA . 17029 1 507 . 1 1 44 44 ALA CB C 13 18.109 0.15 . 1 . . . . 44 ALA CB . 17029 1 508 . 1 1 44 44 ALA N N 15 129.931 0.05 . 1 . . . . 44 ALA N . 17029 1 509 . 1 1 45 45 VAL H H 1 8.571 0.01 . 1 . . . . 45 VAL HN . 17029 1 510 . 1 1 45 45 VAL HA H 1 3.552 0.01 . 1 . . . . 45 VAL HA . 17029 1 511 . 1 1 45 45 VAL HB H 1 1.932 0.01 . 1 . . . . 45 VAL HB . 17029 1 512 . 1 1 45 45 VAL HG11 H 1 0.935 0.01 . 1 . . . . 45 VAL HG11 . 17029 1 513 . 1 1 45 45 VAL HG12 H 1 0.935 0.01 . 1 . . . . 45 VAL HG11 . 17029 1 514 . 1 1 45 45 VAL HG13 H 1 0.935 0.01 . 1 . . . . 45 VAL HG11 . 17029 1 515 . 1 1 45 45 VAL HG21 H 1 0.912 0.01 . 1 . . . . 45 VAL HG21 . 17029 1 516 . 1 1 45 45 VAL HG22 H 1 0.912 0.01 . 1 . . . . 45 VAL HG21 . 17029 1 517 . 1 1 45 45 VAL HG23 H 1 0.912 0.01 . 1 . . . . 45 VAL HG21 . 17029 1 518 . 1 1 45 45 VAL C C 13 177.831 0.15 . 1 . . . . 45 VAL C . 17029 1 519 . 1 1 45 45 VAL CA C 13 68.529 0.15 . 1 . . . . 45 VAL CA . 17029 1 520 . 1 1 45 45 VAL CB C 13 31.648 0.15 . 1 . . . . 45 VAL CB . 17029 1 521 . 1 1 45 45 VAL CG1 C 13 22.027 0.15 . 1 . . . . 45 VAL CG1 . 17029 1 522 . 1 1 45 45 VAL CG2 C 13 24.610 0.15 . 1 . . . . 45 VAL CG2 . 17029 1 523 . 1 1 45 45 VAL N N 15 123.169 0.05 . 1 . . . . 45 VAL N . 17029 1 524 . 1 1 46 46 LYS H H 1 8.813 0.01 . 1 . . . . 46 LYS HN . 17029 1 525 . 1 1 46 46 LYS HA H 1 3.912 0.01 . 1 . . . . 46 LYS HA . 17029 1 526 . 1 1 46 46 LYS HB2 H 1 1.747 0.01 . 2 . . . . 46 LYS HB1 . 17029 1 527 . 1 1 46 46 LYS HB3 H 1 1.662 0.01 . 2 . . . . 46 LYS HB2 . 17029 1 528 . 1 1 46 46 LYS HD2 H 1 1.606 0.01 . 2 . . . . 46 LYS HD1 . 17029 1 529 . 1 1 46 46 LYS HD3 H 1 1.606 0.01 . 2 . . . . 46 LYS HD2 . 17029 1 530 . 1 1 46 46 LYS HE2 H 1 2.896 0.01 . 2 . . . . 46 LYS HE1 . 17029 1 531 . 1 1 46 46 LYS HE3 H 1 2.896 0.01 . 2 . . . . 46 LYS HE2 . 17029 1 532 . 1 1 46 46 LYS HG2 H 1 1.382 0.01 . 2 . . . . 46 LYS HG1 . 17029 1 533 . 1 1 46 46 LYS HG3 H 1 1.285 0.01 . 2 . . . . 46 LYS HG2 . 17029 1 534 . 1 1 46 46 LYS C C 13 177.567 0.15 . 1 . . . . 46 LYS C . 17029 1 535 . 1 1 46 46 LYS CA C 13 59.786 0.15 . 1 . . . . 46 LYS CA . 17029 1 536 . 1 1 46 46 LYS CB C 13 32.134 0.15 . 1 . . . . 46 LYS CB . 17029 1 537 . 1 1 46 46 LYS CD C 13 29.461 0.15 . 1 . . . . 46 LYS CD . 17029 1 538 . 1 1 46 46 LYS CE C 13 42.067 0.15 . 1 . . . . 46 LYS CE . 17029 1 539 . 1 1 46 46 LYS CG C 13 24.754 0.15 . 1 . . . . 46 LYS CG . 17029 1 540 . 1 1 46 46 LYS N N 15 116.537 0.05 . 1 . . . . 46 LYS N . 17029 1 541 . 1 1 47 47 ASP H H 1 7.041 0.01 . 1 . . . . 47 ASP HN . 17029 1 542 . 1 1 47 47 ASP HA H 1 4.524 0.01 . 1 . . . . 47 ASP HA . 17029 1 543 . 1 1 47 47 ASP HB2 H 1 2.508 0.01 . 1 . . . . 47 ASP HB1 . 17029 1 544 . 1 1 47 47 ASP HB3 H 1 2.680 0.01 . 1 . . . . 47 ASP HB2 . 17029 1 545 . 1 1 47 47 ASP C C 13 179.320 0.15 . 1 . . . . 47 ASP C . 17029 1 546 . 1 1 47 47 ASP CA C 13 57.415 0.15 . 1 . . . . 47 ASP CA . 17029 1 547 . 1 1 47 47 ASP CB C 13 40.433 0.15 . 1 . . . . 47 ASP CB . 17029 1 548 . 1 1 47 47 ASP N N 15 119.760 0.05 . 1 . . . . 47 ASP N . 17029 1 549 . 1 1 48 48 HIS H H 1 7.898 0.01 . 1 . . . . 48 HIS HN . 17029 1 550 . 1 1 48 48 HIS HA H 1 4.370 0.01 . 1 . . . . 48 HIS HA . 17029 1 551 . 1 1 48 48 HIS HB2 H 1 2.634 0.01 . 1 . . . . 48 HIS HB1 . 17029 1 552 . 1 1 48 48 HIS HB3 H 1 3.462 0.01 . 1 . . . . 48 HIS HB2 . 17029 1 553 . 1 1 48 48 HIS HD2 H 1 6.998 0.01 . 1 . . . . 48 HIS HD2 . 17029 1 554 . 1 1 48 48 HIS HE1 H 1 8.035 0.01 . 1 . . . . 48 HIS HE1 . 17029 1 555 . 1 1 48 48 HIS C C 13 178.151 0.15 . 1 . . . . 48 HIS C . 17029 1 556 . 1 1 48 48 HIS CA C 13 60.773 0.15 . 1 . . . . 48 HIS CA . 17029 1 557 . 1 1 48 48 HIS CB C 13 30.934 0.15 . 1 . . . . 48 HIS CB . 17029 1 558 . 1 1 48 48 HIS CD2 C 13 119.067 0.15 . 1 . . . . 48 HIS CD2 . 17029 1 559 . 1 1 48 48 HIS CE1 C 13 139.773 0.15 . 1 . . . . 48 HIS CE1 . 17029 1 560 . 1 1 48 48 HIS N N 15 120.453 0.05 . 1 . . . . 48 HIS N . 17029 1 561 . 1 1 49 49 ILE H H 1 8.811 0.01 . 1 . . . . 49 ILE HN . 17029 1 562 . 1 1 49 49 ILE HA H 1 3.463 0.01 . 1 . . . . 49 ILE HA . 17029 1 563 . 1 1 49 49 ILE HB H 1 1.940 0.01 . 1 . . . . 49 ILE HB . 17029 1 564 . 1 1 49 49 ILE HD11 H 1 0.785 0.01 . 1 . . . . 49 ILE HD11 . 17029 1 565 . 1 1 49 49 ILE HD12 H 1 0.785 0.01 . 1 . . . . 49 ILE HD11 . 17029 1 566 . 1 1 49 49 ILE HD13 H 1 0.785 0.01 . 1 . . . . 49 ILE HD11 . 17029 1 567 . 1 1 49 49 ILE HG12 H 1 1.939 0.01 . 2 . . . . 49 ILE HG11 . 17029 1 568 . 1 1 49 49 ILE HG13 H 1 0.635 0.01 . 2 . . . . 49 ILE HG12 . 17029 1 569 . 1 1 49 49 ILE HG21 H 1 0.835 0.01 . 1 . . . . 49 ILE HG21 . 17029 1 570 . 1 1 49 49 ILE HG22 H 1 0.835 0.01 . 1 . . . . 49 ILE HG21 . 17029 1 571 . 1 1 49 49 ILE HG23 H 1 0.835 0.01 . 1 . . . . 49 ILE HG21 . 17029 1 572 . 1 1 49 49 ILE C C 13 177.102 0.15 . 1 . . . . 49 ILE C . 17029 1 573 . 1 1 49 49 ILE CA C 13 66.670 0.15 . 1 . . . . 49 ILE CA . 17029 1 574 . 1 1 49 49 ILE CB C 13 37.060 0.15 . 1 . . . . 49 ILE CB . 17029 1 575 . 1 1 49 49 ILE CD1 C 13 13.925 0.15 . 1 . . . . 49 ILE CD1 . 17029 1 576 . 1 1 49 49 ILE CG1 C 13 30.106 0.15 . 1 . . . . 49 ILE CG1 . 17029 1 577 . 1 1 49 49 ILE CG2 C 13 18.248 0.15 . 1 . . . . 49 ILE CG2 . 17029 1 578 . 1 1 49 49 ILE N N 15 117.847 0.05 . 1 . . . . 49 ILE N . 17029 1 579 . 1 1 50 50 LYS H H 1 7.977 0.01 . 1 . . . . 50 LYS HN . 17029 1 580 . 1 1 50 50 LYS HA H 1 3.680 0.01 . 1 . . . . 50 LYS HA . 17029 1 581 . 1 1 50 50 LYS HB2 H 1 2.004 0.01 . 2 . . . . 50 LYS HB1 . 17029 1 582 . 1 1 50 50 LYS HD2 H 1 1.725 0.01 . 2 . . . . 50 LYS HD1 . 17029 1 583 . 1 1 50 50 LYS HD3 H 1 1.725 0.01 . 2 . . . . 50 LYS HD2 . 17029 1 584 . 1 1 50 50 LYS HE2 H 1 2.934 0.01 . 2 . . . . 50 LYS HE1 . 17029 1 585 . 1 1 50 50 LYS HE3 H 1 2.850 0.01 . 2 . . . . 50 LYS HE2 . 17029 1 586 . 1 1 50 50 LYS HG2 H 1 1.708 0.01 . 2 . . . . 50 LYS HG1 . 17029 1 587 . 1 1 50 50 LYS HG3 H 1 1.325 0.01 . 2 . . . . 50 LYS HG2 . 17029 1 588 . 1 1 50 50 LYS C C 13 178.550 0.15 . 1 . . . . 50 LYS C . 17029 1 589 . 1 1 50 50 LYS CA C 13 61.687 0.15 . 1 . . . . 50 LYS CA . 17029 1 590 . 1 1 50 50 LYS CB C 13 32.547 0.15 . 1 . . . . 50 LYS CB . 17029 1 591 . 1 1 50 50 LYS CD C 13 29.817 0.15 . 1 . . . . 50 LYS CD . 17029 1 592 . 1 1 50 50 LYS CE C 13 41.986 0.15 . 1 . . . . 50 LYS CE . 17029 1 593 . 1 1 50 50 LYS CG C 13 25.970 0.15 . 1 . . . . 50 LYS CG . 17029 1 594 . 1 1 50 50 LYS N N 15 120.116 0.05 . 1 . . . . 50 LYS N . 17029 1 595 . 1 1 51 51 VAL H H 1 7.370 0.01 . 1 . . . . 51 VAL HN . 17029 1 596 . 1 1 51 51 VAL HA H 1 3.566 0.01 . 1 . . . . 51 VAL HA . 17029 1 597 . 1 1 51 51 VAL HB H 1 2.147 0.01 . 1 . . . . 51 VAL HB . 17029 1 598 . 1 1 51 51 VAL HG11 H 1 0.956 0.01 . 1 . . . . 51 VAL HG11 . 17029 1 599 . 1 1 51 51 VAL HG12 H 1 0.956 0.01 . 1 . . . . 51 VAL HG11 . 17029 1 600 . 1 1 51 51 VAL HG13 H 1 0.956 0.01 . 1 . . . . 51 VAL HG11 . 17029 1 601 . 1 1 51 51 VAL HG21 H 1 1.097 0.01 . 1 . . . . 51 VAL HG21 . 17029 1 602 . 1 1 51 51 VAL HG22 H 1 1.097 0.01 . 1 . . . . 51 VAL HG21 . 17029 1 603 . 1 1 51 51 VAL HG23 H 1 1.097 0.01 . 1 . . . . 51 VAL HG21 . 17029 1 604 . 1 1 51 51 VAL C C 13 179.092 0.15 . 1 . . . . 51 VAL C . 17029 1 605 . 1 1 51 51 VAL CA C 13 66.671 0.15 . 1 . . . . 51 VAL CA . 17029 1 606 . 1 1 51 51 VAL CB C 13 31.571 0.15 . 1 . . . . 51 VAL CB . 17029 1 607 . 1 1 51 51 VAL CG1 C 13 21.650 0.15 . 1 . . . . 51 VAL CG1 . 17029 1 608 . 1 1 51 51 VAL CG2 C 13 22.629 0.15 . 1 . . . . 51 VAL CG2 . 17029 1 609 . 1 1 51 51 VAL N N 15 119.427 0.05 . 1 . . . . 51 VAL N . 17029 1 610 . 1 1 52 52 LEU H H 1 7.925 0.01 . 1 . . . . 52 LEU HN . 17029 1 611 . 1 1 52 52 LEU HA H 1 3.689 0.01 . 1 . . . . 52 LEU HA . 17029 1 612 . 1 1 52 52 LEU HB2 H 1 1.145 0.01 . 1 . . . . 52 LEU HB1 . 17029 1 613 . 1 1 52 52 LEU HB3 H 1 2.051 0.01 . 1 . . . . 52 LEU HB2 . 17029 1 614 . 1 1 52 52 LEU HD11 H 1 0.721 0.01 . 2 . . . . 52 LEU HD11 . 17029 1 615 . 1 1 52 52 LEU HD12 H 1 0.721 0.01 . 2 . . . . 52 LEU HD11 . 17029 1 616 . 1 1 52 52 LEU HD13 H 1 0.721 0.01 . 2 . . . . 52 LEU HD11 . 17029 1 617 . 1 1 52 52 LEU HD21 H 1 0.473 0.01 . 2 . . . . 52 LEU HD21 . 17029 1 618 . 1 1 52 52 LEU HD22 H 1 0.473 0.01 . 2 . . . . 52 LEU HD21 . 17029 1 619 . 1 1 52 52 LEU HD23 H 1 0.473 0.01 . 2 . . . . 52 LEU HD21 . 17029 1 620 . 1 1 52 52 LEU HG H 1 1.219 0.01 . 1 . . . . 52 LEU HG . 17029 1 621 . 1 1 52 52 LEU C C 13 178.285 0.15 . 1 . . . . 52 LEU C . 17029 1 622 . 1 1 52 52 LEU CA C 13 58.132 0.15 . 1 . . . . 52 LEU CA . 17029 1 623 . 1 1 52 52 LEU CB C 13 42.339 0.15 . 1 . . . . 52 LEU CB . 17029 1 624 . 1 1 52 52 LEU CD1 C 13 26.531 0.15 . 2 . . . . 52 LEU CD1 . 17029 1 625 . 1 1 52 52 LEU CD2 C 13 23.546 0.15 . 2 . . . . 52 LEU CD2 . 17029 1 626 . 1 1 52 52 LEU CG C 13 26.733 0.15 . 1 . . . . 52 LEU CG . 17029 1 627 . 1 1 52 52 LEU N N 15 122.165 0.05 . 1 . . . . 52 LEU N . 17029 1 628 . 1 1 53 53 LEU H H 1 9.055 0.01 . 1 . . . . 53 LEU HN . 17029 1 629 . 1 1 53 53 LEU HA H 1 3.774 0.01 . 1 . . . . 53 LEU HA . 17029 1 630 . 1 1 53 53 LEU HB2 H 1 1.452 0.01 . 2 . . . . 53 LEU HB1 . 17029 1 631 . 1 1 53 53 LEU HB3 H 1 1.686 0.01 . 2 . . . . 53 LEU HB2 . 17029 1 632 . 1 1 53 53 LEU HD11 H 1 0.460 0.01 . 2 . . . . 53 LEU HD11 . 17029 1 633 . 1 1 53 53 LEU HD12 H 1 0.460 0.01 . 2 . . . . 53 LEU HD11 . 17029 1 634 . 1 1 53 53 LEU HD13 H 1 0.460 0.01 . 2 . . . . 53 LEU HD11 . 17029 1 635 . 1 1 53 53 LEU HD21 H 1 -0.108 0.01 . 2 . . . . 53 LEU HD21 . 17029 1 636 . 1 1 53 53 LEU HD22 H 1 -0.108 0.01 . 2 . . . . 53 LEU HD21 . 17029 1 637 . 1 1 53 53 LEU HD23 H 1 -0.108 0.01 . 2 . . . . 53 LEU HD21 . 17029 1 638 . 1 1 53 53 LEU HG H 1 1.680 0.01 . 1 . . . . 53 LEU HG . 17029 1 639 . 1 1 53 53 LEU C C 13 179.142 0.15 . 1 . . . . 53 LEU C . 17029 1 640 . 1 1 53 53 LEU CA C 13 58.843 0.15 . 1 . . . . 53 LEU CA . 17029 1 641 . 1 1 53 53 LEU CB C 13 38.680 0.15 . 1 . . . . 53 LEU CB . 17029 1 642 . 1 1 53 53 LEU CD1 C 13 25.932 0.15 . 2 . . . . 53 LEU CD1 . 17029 1 643 . 1 1 53 53 LEU CD2 C 13 20.710 0.15 . 2 . . . . 53 LEU CD2 . 17029 1 644 . 1 1 53 53 LEU CG C 13 25.939 0.15 . 1 . . . . 53 LEU CG . 17029 1 645 . 1 1 53 53 LEU N N 15 118.508 0.05 . 1 . . . . 53 LEU N . 17029 1 646 . 1 1 54 54 THR H H 1 7.738 0.01 . 1 . . . . 54 THR HN . 17029 1 647 . 1 1 54 54 THR HA H 1 4.026 0.01 . 1 . . . . 54 THR HA . 17029 1 648 . 1 1 54 54 THR HB H 1 4.309 0.01 . 1 . . . . 54 THR HB . 17029 1 649 . 1 1 54 54 THR HG21 H 1 1.197 0.01 . 1 . . . . 54 THR HG21 . 17029 1 650 . 1 1 54 54 THR HG22 H 1 1.197 0.01 . 1 . . . . 54 THR HG21 . 17029 1 651 . 1 1 54 54 THR HG23 H 1 1.197 0.01 . 1 . . . . 54 THR HG21 . 17029 1 652 . 1 1 54 54 THR C C 13 178.270 0.15 . 1 . . . . 54 THR C . 17029 1 653 . 1 1 54 54 THR CA C 13 66.529 0.15 . 1 . . . . 54 THR CA . 17029 1 654 . 1 1 54 54 THR CB C 13 68.445 0.15 . 1 . . . . 54 THR CB . 17029 1 655 . 1 1 54 54 THR CG2 C 13 21.182 0.15 . 1 . . . . 54 THR CG2 . 17029 1 656 . 1 1 54 54 THR N N 15 113.900 0.05 . 1 . . . . 54 THR N . 17029 1 657 . 1 1 55 55 HIS H H 1 7.878 0.01 . 1 . . . . 55 HIS HN . 17029 1 658 . 1 1 55 55 HIS HA H 1 4.122 0.01 . 1 . . . . 55 HIS HA . 17029 1 659 . 1 1 55 55 HIS HB2 H 1 2.976 0.01 . 2 . . . . 55 HIS HB1 . 17029 1 660 . 1 1 55 55 HIS HB3 H 1 2.936 0.01 . 2 . . . . 55 HIS HB2 . 17029 1 661 . 1 1 55 55 HIS HD2 H 1 5.396 0.01 . 1 . . . . 55 HIS HD2 . 17029 1 662 . 1 1 55 55 HIS HE1 H 1 7.906 0.01 . 1 . . . . 55 HIS HE1 . 17029 1 663 . 1 1 55 55 HIS C C 13 176.967 0.15 . 1 . . . . 55 HIS C . 17029 1 664 . 1 1 55 55 HIS CA C 13 60.150 0.15 . 1 . . . . 55 HIS CA . 17029 1 665 . 1 1 55 55 HIS CB C 13 29.193 0.15 . 1 . . . . 55 HIS CB . 17029 1 666 . 1 1 55 55 HIS CD2 C 13 118.580 0.15 . 1 . . . . 55 HIS CD2 . 17029 1 667 . 1 1 55 55 HIS CE1 C 13 138.555 0.15 . 1 . . . . 55 HIS CE1 . 17029 1 668 . 1 1 55 55 HIS N N 15 123.129 0.05 . 1 . . . . 55 HIS N . 17029 1 669 . 1 1 56 56 PHE H H 1 8.005 0.01 . 1 . . . . 56 PHE HN . 17029 1 670 . 1 1 56 56 PHE HA H 1 4.432 0.01 . 1 . . . . 56 PHE HA . 17029 1 671 . 1 1 56 56 PHE HB2 H 1 3.456 0.01 . 1 . . . . 56 PHE HB1 . 17029 1 672 . 1 1 56 56 PHE HB3 H 1 2.548 0.01 . 1 . . . . 56 PHE HB2 . 17029 1 673 . 1 1 56 56 PHE HD1 H 1 7.162 0.01 . 3 . . . . 56 PHE HD1 . 17029 1 674 . 1 1 56 56 PHE HD2 H 1 7.162 0.01 . 3 . . . . 56 PHE HD2 . 17029 1 675 . 1 1 56 56 PHE HE1 H 1 7.011 0.01 . 3 . . . . 56 PHE HE1 . 17029 1 676 . 1 1 56 56 PHE HE2 H 1 7.011 0.01 . 3 . . . . 56 PHE HE2 . 17029 1 677 . 1 1 56 56 PHE HZ H 1 7.192 0.01 . 1 . . . . 56 PHE HZ . 17029 1 678 . 1 1 56 56 PHE C C 13 173.302 0.15 . 1 . . . . 56 PHE C . 17029 1 679 . 1 1 56 56 PHE CA C 13 58.712 0.15 . 1 . . . . 56 PHE CA . 17029 1 680 . 1 1 56 56 PHE CB C 13 39.599 0.15 . 1 . . . . 56 PHE CB . 17029 1 681 . 1 1 56 56 PHE CD1 C 13 132.465 0.15 . 3 . . . . 56 PHE CD1 . 17029 1 682 . 1 1 56 56 PHE CD2 C 13 132.465 0.15 . 3 . . . . 56 PHE CD2 . 17029 1 683 . 1 1 56 56 PHE CE1 C 13 130.516 0.15 . 3 . . . . 56 PHE CE1 . 17029 1 684 . 1 1 56 56 PHE CE2 C 13 130.516 0.15 . 3 . . . . 56 PHE CE2 . 17029 1 685 . 1 1 56 56 PHE CZ C 13 130.273 0.15 . 1 . . . . 56 PHE CZ . 17029 1 686 . 1 1 56 56 PHE N N 15 116.022 0.05 . 1 . . . . 56 PHE N . 17029 1 687 . 1 1 57 57 LYS H H 1 7.765 0.01 . 1 . . . . 57 LYS HN . 17029 1 688 . 1 1 57 57 LYS HA H 1 3.852 0.01 . 1 . . . . 57 LYS HA . 17029 1 689 . 1 1 57 57 LYS HB2 H 1 1.870 0.01 . 1 . . . . 57 LYS HB1 . 17029 1 690 . 1 1 57 57 LYS HB3 H 1 2.173 0.01 . 1 . . . . 57 LYS HB2 . 17029 1 691 . 1 1 57 57 LYS HD2 H 1 1.685 0.01 . 2 . . . . 57 LYS HD1 . 17029 1 692 . 1 1 57 57 LYS HD3 H 1 1.621 0.01 . 2 . . . . 57 LYS HD2 . 17029 1 693 . 1 1 57 57 LYS HE2 H 1 2.974 0.01 . 2 . . . . 57 LYS HE1 . 17029 1 694 . 1 1 57 57 LYS HE3 H 1 2.974 0.01 . 2 . . . . 57 LYS HE2 . 17029 1 695 . 1 1 57 57 LYS HG2 H 1 1.307 0.01 . 2 . . . . 57 LYS HG1 . 17029 1 696 . 1 1 57 57 LYS HG3 H 1 1.274 0.01 . 2 . . . . 57 LYS HG2 . 17029 1 697 . 1 1 57 57 LYS C C 13 175.343 0.15 . 1 . . . . 57 LYS C . 17029 1 698 . 1 1 57 57 LYS CA C 13 57.226 0.15 . 1 . . . . 57 LYS CA . 17029 1 699 . 1 1 57 57 LYS CB C 13 28.325 0.15 . 1 . . . . 57 LYS CB . 17029 1 700 . 1 1 57 57 LYS CD C 13 29.050 0.15 . 1 . . . . 57 LYS CD . 17029 1 701 . 1 1 57 57 LYS CE C 13 42.386 0.15 . 1 . . . . 57 LYS CE . 17029 1 702 . 1 1 57 57 LYS CG C 13 24.980 0.15 . 1 . . . . 57 LYS CG . 17029 1 703 . 1 1 57 57 LYS N N 15 115.529 0.05 . 1 . . . . 57 LYS N . 17029 1 704 . 1 1 58 58 ILE H H 1 8.348 0.01 . 1 . . . . 58 ILE HN . 17029 1 705 . 1 1 58 58 ILE HA H 1 4.408 0.01 . 1 . . . . 58 ILE HA . 17029 1 706 . 1 1 58 58 ILE HB H 1 1.374 0.01 . 1 . . . . 58 ILE HB . 17029 1 707 . 1 1 58 58 ILE HD11 H 1 0.612 0.01 . 1 . . . . 58 ILE HD11 . 17029 1 708 . 1 1 58 58 ILE HD12 H 1 0.612 0.01 . 1 . . . . 58 ILE HD11 . 17029 1 709 . 1 1 58 58 ILE HD13 H 1 0.612 0.01 . 1 . . . . 58 ILE HD11 . 17029 1 710 . 1 1 58 58 ILE HG12 H 1 1.404 0.01 . 2 . . . . 58 ILE HG11 . 17029 1 711 . 1 1 58 58 ILE HG13 H 1 0.959 0.01 . 2 . . . . 58 ILE HG12 . 17029 1 712 . 1 1 58 58 ILE HG21 H 1 0.859 0.01 . 1 . . . . 58 ILE HG21 . 17029 1 713 . 1 1 58 58 ILE HG22 H 1 0.859 0.01 . 1 . . . . 58 ILE HG21 . 17029 1 714 . 1 1 58 58 ILE HG23 H 1 0.859 0.01 . 1 . . . . 58 ILE HG21 . 17029 1 715 . 1 1 58 58 ILE CA C 13 57.778 0.15 . 1 . . . . 58 ILE CA . 17029 1 716 . 1 1 58 58 ILE CB C 13 40.268 0.15 . 1 . . . . 58 ILE CB . 17029 1 717 . 1 1 58 58 ILE CD1 C 13 13.359 0.15 . 1 . . . . 58 ILE CD1 . 17029 1 718 . 1 1 58 58 ILE CG1 C 13 27.761 0.15 . 1 . . . . 58 ILE CG1 . 17029 1 719 . 1 1 58 58 ILE CG2 C 13 16.551 0.15 . 1 . . . . 58 ILE CG2 . 17029 1 720 . 1 1 58 58 ILE N N 15 124.084 0.05 . 1 . . . . 58 ILE N . 17029 1 721 . 1 1 59 59 PRO HA H 1 4.244 0.01 . 1 . . . . 59 PRO HA . 17029 1 722 . 1 1 59 59 PRO HB2 H 1 2.340 0.01 . 2 . . . . 59 PRO HB1 . 17029 1 723 . 1 1 59 59 PRO HB3 H 1 1.994 0.01 . 2 . . . . 59 PRO HB2 . 17029 1 724 . 1 1 59 59 PRO HD2 H 1 3.875 0.01 . 2 . . . . 59 PRO HD1 . 17029 1 725 . 1 1 59 59 PRO HD3 H 1 3.575 0.01 . 2 . . . . 59 PRO HD2 . 17029 1 726 . 1 1 59 59 PRO HG2 H 1 2.092 0.01 . 2 . . . . 59 PRO HG1 . 17029 1 727 . 1 1 59 59 PRO HG3 H 1 1.962 0.01 . 2 . . . . 59 PRO HG2 . 17029 1 728 . 1 1 59 59 PRO C C 13 178.147 0.15 . 1 . . . . 59 PRO C . 17029 1 729 . 1 1 59 59 PRO CA C 13 63.441 0.15 . 1 . . . . 59 PRO CA . 17029 1 730 . 1 1 59 59 PRO CB C 13 32.608 0.15 . 1 . . . . 59 PRO CB . 17029 1 731 . 1 1 59 59 PRO CD C 13 51.378 0.15 . 1 . . . . 59 PRO CD . 17029 1 732 . 1 1 59 59 PRO CG C 13 27.973 0.15 . 1 . . . . 59 PRO CG . 17029 1 733 . 1 1 60 60 VAL H H 1 8.084 0.01 . 1 . . . . 60 VAL HN . 17029 1 734 . 1 1 60 60 VAL HA H 1 3.837 0.01 . 1 . . . . 60 VAL HA . 17029 1 735 . 1 1 60 60 VAL HB H 1 2.210 0.01 . 1 . . . . 60 VAL HB . 17029 1 736 . 1 1 60 60 VAL HG11 H 1 1.029 0.01 . 1 . . . . 60 VAL HG11 . 17029 1 737 . 1 1 60 60 VAL HG12 H 1 1.029 0.01 . 1 . . . . 60 VAL HG11 . 17029 1 738 . 1 1 60 60 VAL HG13 H 1 1.029 0.01 . 1 . . . . 60 VAL HG11 . 17029 1 739 . 1 1 60 60 VAL HG21 H 1 0.970 0.01 . 1 . . . . 60 VAL HG21 . 17029 1 740 . 1 1 60 60 VAL HG22 H 1 0.970 0.01 . 1 . . . . 60 VAL HG21 . 17029 1 741 . 1 1 60 60 VAL HG23 H 1 0.970 0.01 . 1 . . . . 60 VAL HG21 . 17029 1 742 . 1 1 60 60 VAL C C 13 177.768 0.15 . 1 . . . . 60 VAL C . 17029 1 743 . 1 1 60 60 VAL CA C 13 64.373 0.15 . 1 . . . . 60 VAL CA . 17029 1 744 . 1 1 60 60 VAL CB C 13 31.662 0.15 . 1 . . . . 60 VAL CB . 17029 1 745 . 1 1 60 60 VAL CG1 C 13 22.000 0.15 . 1 . . . . 60 VAL CG1 . 17029 1 746 . 1 1 60 60 VAL CG2 C 13 19.610 0.15 . 1 . . . . 60 VAL CG2 . 17029 1 747 . 1 1 60 60 VAL N N 15 117.193 0.05 . 1 . . . . 60 VAL N . 17029 1 748 . 1 1 61 61 ASP H H 1 8.319 0.01 . 1 . . . . 61 ASP HN . 17029 1 749 . 1 1 61 61 ASP HA H 1 4.492 0.01 . 1 . . . . 61 ASP HA . 17029 1 750 . 1 1 61 61 ASP HB2 H 1 2.760 0.01 . 2 . . . . 61 ASP HB1 . 17029 1 751 . 1 1 61 61 ASP HB3 H 1 2.642 0.01 . 2 . . . . 61 ASP HB2 . 17029 1 752 . 1 1 61 61 ASP C C 13 177.514 0.15 . 1 . . . . 61 ASP C . 17029 1 753 . 1 1 61 61 ASP CA C 13 55.386 0.15 . 1 . . . . 61 ASP CA . 17029 1 754 . 1 1 61 61 ASP CB C 13 39.685 0.15 . 1 . . . . 61 ASP CB . 17029 1 755 . 1 1 61 61 ASP N N 15 120.061 0.05 . 1 . . . . 61 ASP N . 17029 1 756 . 1 1 62 62 LYS H H 1 7.896 0.01 . 1 . . . . 62 LYS HN . 17029 1 757 . 1 1 62 62 LYS HA H 1 4.645 0.01 . 1 . . . . 62 LYS HA . 17029 1 758 . 1 1 62 62 LYS HB2 H 1 2.229 0.01 . 1 . . . . 62 LYS HB1 . 17029 1 759 . 1 1 62 62 LYS HB3 H 1 1.951 0.01 . 1 . . . . 62 LYS HB2 . 17029 1 760 . 1 1 62 62 LYS HD2 H 1 1.644 0.01 . 2 . . . . 62 LYS HD1 . 17029 1 761 . 1 1 62 62 LYS HD3 H 1 1.687 0.01 . 2 . . . . 62 LYS HD2 . 17029 1 762 . 1 1 62 62 LYS HE2 H 1 3.043 0.01 . 2 . . . . 62 LYS HE1 . 17029 1 763 . 1 1 62 62 LYS HE3 H 1 2.950 0.01 . 2 . . . . 62 LYS HE2 . 17029 1 764 . 1 1 62 62 LYS HG2 H 1 1.559 0.01 . 2 . . . . 62 LYS HG1 . 17029 1 765 . 1 1 62 62 LYS HG3 H 1 1.487 0.01 . 2 . . . . 62 LYS HG2 . 17029 1 766 . 1 1 62 62 LYS C C 13 177.522 0.15 . 1 . . . . 62 LYS C . 17029 1 767 . 1 1 62 62 LYS CA C 13 55.499 0.15 . 1 . . . . 62 LYS CA . 17029 1 768 . 1 1 62 62 LYS CB C 13 31.966 0.15 . 1 . . . . 62 LYS CB . 17029 1 769 . 1 1 62 62 LYS CD C 13 28.736 0.15 . 1 . . . . 62 LYS CD . 17029 1 770 . 1 1 62 62 LYS CE C 13 42.204 0.15 . 1 . . . . 62 LYS CE . 17029 1 771 . 1 1 62 62 LYS CG C 13 25.083 0.15 . 1 . . . . 62 LYS CG . 17029 1 772 . 1 1 62 62 LYS N N 15 117.751 0.05 . 1 . . . . 62 LYS N . 17029 1 773 . 1 1 63 63 VAL H H 1 7.549 0.01 . 1 . . . . 63 VAL HN . 17029 1 774 . 1 1 63 63 VAL HA H 1 3.720 0.01 . 1 . . . . 63 VAL HA . 17029 1 775 . 1 1 63 63 VAL HB H 1 2.232 0.01 . 1 . . . . 63 VAL HB . 17029 1 776 . 1 1 63 63 VAL HG11 H 1 1.017 0.01 . 1 . . . . 63 VAL HG11 . 17029 1 777 . 1 1 63 63 VAL HG12 H 1 1.017 0.01 . 1 . . . . 63 VAL HG11 . 17029 1 778 . 1 1 63 63 VAL HG13 H 1 1.017 0.01 . 1 . . . . 63 VAL HG11 . 17029 1 779 . 1 1 63 63 VAL HG21 H 1 1.077 0.01 . 1 . . . . 63 VAL HG21 . 17029 1 780 . 1 1 63 63 VAL HG22 H 1 1.077 0.01 . 1 . . . . 63 VAL HG21 . 17029 1 781 . 1 1 63 63 VAL HG23 H 1 1.077 0.01 . 1 . . . . 63 VAL HG21 . 17029 1 782 . 1 1 63 63 VAL C C 13 176.157 0.15 . 1 . . . . 63 VAL C . 17029 1 783 . 1 1 63 63 VAL CA C 13 66.378 0.15 . 1 . . . . 63 VAL CA . 17029 1 784 . 1 1 63 63 VAL CB C 13 31.572 0.15 . 1 . . . . 63 VAL CB . 17029 1 785 . 1 1 63 63 VAL CG1 C 13 20.580 0.15 . 1 . . . . 63 VAL CG1 . 17029 1 786 . 1 1 63 63 VAL CG2 C 13 22.810 0.15 . 1 . . . . 63 VAL CG2 . 17029 1 787 . 1 1 63 63 VAL N N 15 120.435 0.05 . 1 . . . . 63 VAL N . 17029 1 788 . 1 1 64 64 SER H H 1 8.365 0.01 . 1 . . . . 64 SER HN . 17029 1 789 . 1 1 64 64 SER HA H 1 4.374 0.01 . 1 . . . . 64 SER HA . 17029 1 790 . 1 1 64 64 SER HB2 H 1 3.945 0.01 . 2 . . . . 64 SER HB1 . 17029 1 791 . 1 1 64 64 SER HB3 H 1 4.015 0.01 . 2 . . . . 64 SER HB2 . 17029 1 792 . 1 1 64 64 SER C C 13 175.336 0.15 . 1 . . . . 64 SER C . 17029 1 793 . 1 1 64 64 SER CA C 13 60.436 0.15 . 1 . . . . 64 SER CA . 17029 1 794 . 1 1 64 64 SER CB C 13 62.810 0.15 . 1 . . . . 64 SER CB . 17029 1 795 . 1 1 64 64 SER N N 15 113.589 0.05 . 1 . . . . 64 SER N . 17029 1 796 . 1 1 65 65 SER H H 1 8.365 0.01 . 1 . . . . 65 SER HN . 17029 1 797 . 1 1 65 65 SER HA H 1 4.490 0.01 . 1 . . . . 65 SER HA . 17029 1 798 . 1 1 65 65 SER HB2 H 1 3.840 0.01 . 2 . . . . 65 SER HB1 . 17029 1 799 . 1 1 65 65 SER HB3 H 1 3.933 0.01 . 2 . . . . 65 SER HB2 . 17029 1 800 . 1 1 65 65 SER C C 13 172.888 0.15 . 1 . . . . 65 SER C . 17029 1 801 . 1 1 65 65 SER CA C 13 59.476 0.15 . 1 . . . . 65 SER CA . 17029 1 802 . 1 1 65 65 SER CB C 13 64.295 0.15 . 1 . . . . 65 SER CB . 17029 1 803 . 1 1 65 65 SER N N 15 116.016 0.05 . 1 . . . . 65 SER N . 17029 1 804 . 1 1 66 66 TYR H H 1 7.677 0.01 . 1 . . . . 66 TYR HN . 17029 1 805 . 1 1 66 66 TYR HA H 1 4.885 0.01 . 1 . . . . 66 TYR HA . 17029 1 806 . 1 1 66 66 TYR HB2 H 1 2.680 0.01 . 2 . . . . 66 TYR HB1 . 17029 1 807 . 1 1 66 66 TYR HB3 H 1 2.680 0.01 . 2 . . . . 66 TYR HB2 . 17029 1 808 . 1 1 66 66 TYR HD1 H 1 6.860 0.01 . 3 . . . . 66 TYR HD1 . 17029 1 809 . 1 1 66 66 TYR HD2 H 1 6.860 0.01 . 3 . . . . 66 TYR HD2 . 17029 1 810 . 1 1 66 66 TYR HE1 H 1 6.483 0.01 . 3 . . . . 66 TYR HE1 . 17029 1 811 . 1 1 66 66 TYR HE2 H 1 6.483 0.01 . 3 . . . . 66 TYR HE2 . 17029 1 812 . 1 1 66 66 TYR C C 13 174.278 0.15 . 1 . . . . 66 TYR C . 17029 1 813 . 1 1 66 66 TYR CA C 13 58.495 0.15 . 1 . . . . 66 TYR CA . 17029 1 814 . 1 1 66 66 TYR CB C 13 42.862 0.15 . 1 . . . . 66 TYR CB . 17029 1 815 . 1 1 66 66 TYR CD1 C 13 132.709 0.15 . 3 . . . . 66 TYR CD1 . 17029 1 816 . 1 1 66 66 TYR CD2 C 13 132.709 0.15 . 3 . . . . 66 TYR CD2 . 17029 1 817 . 1 1 66 66 TYR CE1 C 13 117.605 0.15 . 3 . . . . 66 TYR CE1 . 17029 1 818 . 1 1 66 66 TYR CE2 C 13 117.605 0.15 . 3 . . . . 66 TYR CE2 . 17029 1 819 . 1 1 66 66 TYR N N 15 120.420 0.05 . 1 . . . . 66 TYR N . 17029 1 820 . 1 1 67 67 ALA H H 1 9.023 0.01 . 1 . . . . 67 ALA HN . 17029 1 821 . 1 1 67 67 ALA HA H 1 4.559 0.01 . 1 . . . . 67 ALA HA . 17029 1 822 . 1 1 67 67 ALA HB1 H 1 1.340 0.01 . 1 . . . . 67 ALA HB1 . 17029 1 823 . 1 1 67 67 ALA HB2 H 1 1.340 0.01 . 1 . . . . 67 ALA HB1 . 17029 1 824 . 1 1 67 67 ALA HB3 H 1 1.340 0.01 . 1 . . . . 67 ALA HB1 . 17029 1 825 . 1 1 67 67 ALA C C 13 175.380 0.15 . 1 . . . . 67 ALA C . 17029 1 826 . 1 1 67 67 ALA CA C 13 51.147 0.15 . 1 . . . . 67 ALA CA . 17029 1 827 . 1 1 67 67 ALA CB C 13 24.695 0.15 . 1 . . . . 67 ALA CB . 17029 1 828 . 1 1 67 67 ALA N N 15 120.004 0.05 . 1 . . . . 67 ALA N . 17029 1 829 . 1 1 68 68 LEU H H 1 8.889 0.01 . 1 . . . . 68 LEU HN . 17029 1 830 . 1 1 68 68 LEU HA H 1 5.333 0.01 . 1 . . . . 68 LEU HA . 17029 1 831 . 1 1 68 68 LEU HB2 H 1 0.537 0.01 . 1 . . . . 68 LEU HB1 . 17029 1 832 . 1 1 68 68 LEU HB3 H 1 1.273 0.01 . 1 . . . . 68 LEU HB2 . 17029 1 833 . 1 1 68 68 LEU HD11 H 1 0.227 0.01 . 2 . . . . 68 LEU HD11 . 17029 1 834 . 1 1 68 68 LEU HD12 H 1 0.227 0.01 . 2 . . . . 68 LEU HD11 . 17029 1 835 . 1 1 68 68 LEU HD13 H 1 0.227 0.01 . 2 . . . . 68 LEU HD11 . 17029 1 836 . 1 1 68 68 LEU HD21 H 1 0.521 0.01 . 2 . . . . 68 LEU HD21 . 17029 1 837 . 1 1 68 68 LEU HD22 H 1 0.521 0.01 . 2 . . . . 68 LEU HD21 . 17029 1 838 . 1 1 68 68 LEU HD23 H 1 0.521 0.01 . 2 . . . . 68 LEU HD21 . 17029 1 839 . 1 1 68 68 LEU HG H 1 1.434 0.01 . 1 . . . . 68 LEU HG . 17029 1 840 . 1 1 68 68 LEU C C 13 176.714 0.15 . 1 . . . . 68 LEU C . 17029 1 841 . 1 1 68 68 LEU CA C 13 53.142 0.15 . 1 . . . . 68 LEU CA . 17029 1 842 . 1 1 68 68 LEU CB C 13 42.946 0.15 . 1 . . . . 68 LEU CB . 17029 1 843 . 1 1 68 68 LEU CD1 C 13 25.705 0.15 . 2 . . . . 68 LEU CD1 . 17029 1 844 . 1 1 68 68 LEU CD2 C 13 22.678 0.15 . 2 . . . . 68 LEU CD2 . 17029 1 845 . 1 1 68 68 LEU CG C 13 26.215 0.15 . 1 . . . . 68 LEU CG . 17029 1 846 . 1 1 68 68 LEU N N 15 119.306 0.05 . 1 . . . . 68 LEU N . 17029 1 847 . 1 1 69 69 GLN H H 1 9.643 0.01 . 1 . . . . 69 GLN HN . 17029 1 848 . 1 1 69 69 GLN HA H 1 4.767 0.01 . 1 . . . . 69 GLN HA . 17029 1 849 . 1 1 69 69 GLN HB2 H 1 1.858 0.01 . 1 . . . . 69 GLN HB1 . 17029 1 850 . 1 1 69 69 GLN HB3 H 1 1.153 0.01 . 1 . . . . 69 GLN HB2 . 17029 1 851 . 1 1 69 69 GLN HE21 H 1 6.461 0.01 . 2 . . . . 69 GLN HE21 . 17029 1 852 . 1 1 69 69 GLN HE22 H 1 6.344 0.01 . 2 . . . . 69 GLN HE22 . 17029 1 853 . 1 1 69 69 GLN HG2 H 1 1.569 0.01 . 2 . . . . 69 GLN HG1 . 17029 1 854 . 1 1 69 69 GLN HG3 H 1 0.867 0.01 . 2 . . . . 69 GLN HG2 . 17029 1 855 . 1 1 69 69 GLN C C 13 174.492 0.15 . 1 . . . . 69 GLN C . 17029 1 856 . 1 1 69 69 GLN CA C 13 53.694 0.15 . 1 . . . . 69 GLN CA . 17029 1 857 . 1 1 69 69 GLN CB C 13 33.900 0.15 . 1 . . . . 69 GLN CB . 17029 1 858 . 1 1 69 69 GLN CG C 13 32.907 0.15 . 1 . . . . 69 GLN CG . 17029 1 859 . 1 1 69 69 GLN N N 15 122.611 0.05 . 1 . . . . 69 GLN N . 17029 1 860 . 1 1 69 69 GLN NE2 N 15 110.316 0.05 . 1 . . . . 69 GLN NE2 . 17029 1 861 . 1 1 70 70 ASN H H 1 8.248 0.01 . 1 . . . . 70 ASN HN . 17029 1 862 . 1 1 70 70 ASN HA H 1 4.995 0.01 . 1 . . . . 70 ASN HA . 17029 1 863 . 1 1 70 70 ASN HB2 H 1 3.063 0.01 . 1 . . . . 70 ASN HB1 . 17029 1 864 . 1 1 70 70 ASN HB3 H 1 2.642 0.01 . 1 . . . . 70 ASN HB2 . 17029 1 865 . 1 1 70 70 ASN HD21 H 1 7.764 0.01 . 2 . . . . 70 ASN HD21 . 17029 1 866 . 1 1 70 70 ASN HD22 H 1 7.310 0.01 . 2 . . . . 70 ASN HD22 . 17029 1 867 . 1 1 70 70 ASN CA C 13 50.665 0.15 . 1 . . . . 70 ASN CA . 17029 1 868 . 1 1 70 70 ASN CB C 13 39.932 0.15 . 1 . . . . 70 ASN CB . 17029 1 869 . 1 1 70 70 ASN N N 15 126.599 0.05 . 1 . . . . 70 ASN N . 17029 1 870 . 1 1 70 70 ASN ND2 N 15 117.296 0.05 . 1 . . . . 70 ASN ND2 . 17029 1 871 . 1 1 71 71 PRO HA H 1 3.897 0.01 . 1 . . . . 71 PRO HA . 17029 1 872 . 1 1 71 71 PRO HB2 H 1 1.530 0.01 . 2 . . . . 71 PRO HB1 . 17029 1 873 . 1 1 71 71 PRO HB3 H 1 1.210 0.01 . 2 . . . . 71 PRO HB2 . 17029 1 874 . 1 1 71 71 PRO HD2 H 1 3.571 0.01 . 2 . . . . 71 PRO HD1 . 17029 1 875 . 1 1 71 71 PRO HD3 H 1 3.571 0.01 . 2 . . . . 71 PRO HD2 . 17029 1 876 . 1 1 71 71 PRO HG2 H 1 0.421 0.01 . 2 . . . . 71 PRO HG1 . 17029 1 877 . 1 1 71 71 PRO HG3 H 1 0.109 0.01 . 2 . . . . 71 PRO HG2 . 17029 1 878 . 1 1 71 71 PRO C C 13 175.859 0.15 . 1 . . . . 71 PRO C . 17029 1 879 . 1 1 71 71 PRO CA C 13 64.117 0.15 . 1 . . . . 71 PRO CA . 17029 1 880 . 1 1 71 71 PRO CB C 13 32.585 0.15 . 1 . . . . 71 PRO CB . 17029 1 881 . 1 1 71 71 PRO CD C 13 51.576 0.15 . 1 . . . . 71 PRO CD . 17029 1 882 . 1 1 71 71 PRO CG C 13 25.600 0.15 . 1 . . . . 71 PRO CG . 17029 1 883 . 1 1 72 72 PHE H H 1 8.345 0.01 . 1 . . . . 72 PHE HN . 17029 1 884 . 1 1 72 72 PHE HA H 1 4.685 0.01 . 1 . . . . 72 PHE HA . 17029 1 885 . 1 1 72 72 PHE HB2 H 1 3.230 0.01 . 1 . . . . 72 PHE HB1 . 17029 1 886 . 1 1 72 72 PHE HB3 H 1 3.072 0.01 . 1 . . . . 72 PHE HB2 . 17029 1 887 . 1 1 72 72 PHE HD1 H 1 7.230 0.01 . 3 . . . . 72 PHE HD1 . 17029 1 888 . 1 1 72 72 PHE HD2 H 1 7.230 0.01 . 3 . . . . 72 PHE HD2 . 17029 1 889 . 1 1 72 72 PHE HE1 H 1 7.359 0.01 . 3 . . . . 72 PHE HE1 . 17029 1 890 . 1 1 72 72 PHE HE2 H 1 7.359 0.01 . 3 . . . . 72 PHE HE2 . 17029 1 891 . 1 1 72 72 PHE HZ H 1 7.374 0.01 . 1 . . . . 72 PHE HZ . 17029 1 892 . 1 1 72 72 PHE C C 13 177.366 0.15 . 1 . . . . 72 PHE C . 17029 1 893 . 1 1 72 72 PHE CA C 13 58.150 0.15 . 1 . . . . 72 PHE CA . 17029 1 894 . 1 1 72 72 PHE CB C 13 39.142 0.15 . 1 . . . . 72 PHE CB . 17029 1 895 . 1 1 72 72 PHE CD1 C 13 131.247 0.15 . 3 . . . . 72 PHE CD1 . 17029 1 896 . 1 1 72 72 PHE CD2 C 13 131.247 0.15 . 3 . . . . 72 PHE CD2 . 17029 1 897 . 1 1 72 72 PHE CE1 C 13 131.491 0.15 . 3 . . . . 72 PHE CE1 . 17029 1 898 . 1 1 72 72 PHE CE2 C 13 131.491 0.15 . 3 . . . . 72 PHE CE2 . 17029 1 899 . 1 1 72 72 PHE CZ C 13 129.785 0.15 . 1 . . . . 72 PHE CZ . 17029 1 900 . 1 1 72 72 PHE N N 15 116.971 0.05 . 1 . . . . 72 PHE N . 17029 1 901 . 1 1 73 73 THR H H 1 7.883 0.01 . 1 . . . . 73 THR HN . 17029 1 902 . 1 1 73 73 THR HA H 1 4.192 0.01 . 1 . . . . 73 THR HA . 17029 1 903 . 1 1 73 73 THR HB H 1 4.350 0.01 . 1 . . . . 73 THR HB . 17029 1 904 . 1 1 73 73 THR HG1 H 1 5.706 0.01 . 1 . . . . 73 THR HG1 . 17029 1 905 . 1 1 73 73 THR HG21 H 1 1.198 0.01 . 1 . . . . 73 THR HG21 . 17029 1 906 . 1 1 73 73 THR HG22 H 1 1.198 0.01 . 1 . . . . 73 THR HG21 . 17029 1 907 . 1 1 73 73 THR HG23 H 1 1.198 0.01 . 1 . . . . 73 THR HG21 . 17029 1 908 . 1 1 73 73 THR C C 13 176.172 0.15 . 1 . . . . 73 THR C . 17029 1 909 . 1 1 73 73 THR CA C 13 61.626 0.15 . 1 . . . . 73 THR CA . 17029 1 910 . 1 1 73 73 THR CB C 13 70.026 0.15 . 1 . . . . 73 THR CB . 17029 1 911 . 1 1 73 73 THR CG2 C 13 21.182 0.15 . 1 . . . . 73 THR CG2 . 17029 1 912 . 1 1 73 73 THR N N 15 108.810 0.05 . 1 . . . . 73 THR N . 17029 1 913 . 1 1 74 74 LEU H H 1 7.667 0.01 . 1 . . . . 74 LEU HN . 17029 1 914 . 1 1 74 74 LEU HA H 1 3.796 0.01 . 1 . . . . 74 LEU HA . 17029 1 915 . 1 1 74 74 LEU HB2 H 1 1.378 0.01 . 1 . . . . 74 LEU HB1 . 17029 1 916 . 1 1 74 74 LEU HB3 H 1 2.113 0.01 . 1 . . . . 74 LEU HB2 . 17029 1 917 . 1 1 74 74 LEU HD11 H 1 0.785 0.01 . 2 . . . . 74 LEU HD11 . 17029 1 918 . 1 1 74 74 LEU HD12 H 1 0.785 0.01 . 2 . . . . 74 LEU HD11 . 17029 1 919 . 1 1 74 74 LEU HD13 H 1 0.785 0.01 . 2 . . . . 74 LEU HD11 . 17029 1 920 . 1 1 74 74 LEU HD21 H 1 0.570 0.01 . 2 . . . . 74 LEU HD21 . 17029 1 921 . 1 1 74 74 LEU HD22 H 1 0.570 0.01 . 2 . . . . 74 LEU HD21 . 17029 1 922 . 1 1 74 74 LEU HD23 H 1 0.570 0.01 . 2 . . . . 74 LEU HD21 . 17029 1 923 . 1 1 74 74 LEU HG H 1 1.244 0.01 . 1 . . . . 74 LEU HG . 17029 1 924 . 1 1 74 74 LEU C C 13 176.038 0.15 . 1 . . . . 74 LEU C . 17029 1 925 . 1 1 74 74 LEU CA C 13 56.350 0.15 . 1 . . . . 74 LEU CA . 17029 1 926 . 1 1 74 74 LEU CB C 13 37.690 0.15 . 1 . . . . 74 LEU CB . 17029 1 927 . 1 1 74 74 LEU CD1 C 13 25.195 0.15 . 2 . . . . 74 LEU CD1 . 17029 1 928 . 1 1 74 74 LEU CD2 C 13 21.642 0.15 . 2 . . . . 74 LEU CD2 . 17029 1 929 . 1 1 74 74 LEU CG C 13 26.733 0.15 . 1 . . . . 74 LEU CG . 17029 1 930 . 1 1 74 74 LEU N N 15 114.899 0.05 . 1 . . . . 74 LEU N . 17029 1 931 . 1 1 75 75 ALA H H 1 7.784 0.01 . 1 . . . . 75 ALA HN . 17029 1 932 . 1 1 75 75 ALA HA H 1 4.320 0.01 . 1 . . . . 75 ALA HA . 17029 1 933 . 1 1 75 75 ALA HB1 H 1 1.298 0.01 . 1 . . . . 75 ALA HB1 . 17029 1 934 . 1 1 75 75 ALA HB2 H 1 1.298 0.01 . 1 . . . . 75 ALA HB1 . 17029 1 935 . 1 1 75 75 ALA HB3 H 1 1.298 0.01 . 1 . . . . 75 ALA HB1 . 17029 1 936 . 1 1 75 75 ALA C C 13 178.429 0.15 . 1 . . . . 75 ALA C . 17029 1 937 . 1 1 75 75 ALA CA C 13 52.340 0.15 . 1 . . . . 75 ALA CA . 17029 1 938 . 1 1 75 75 ALA CB C 13 19.375 0.15 . 1 . . . . 75 ALA CB . 17029 1 939 . 1 1 75 75 ALA N N 15 123.238 0.05 . 1 . . . . 75 ALA N . 17029 1 940 . 1 1 76 76 TYR H H 1 9.004 0.01 . 1 . . . . 76 TYR HN . 17029 1 941 . 1 1 76 76 TYR HA H 1 4.858 0.01 . 1 . . . . 76 TYR HA . 17029 1 942 . 1 1 76 76 TYR HB2 H 1 2.767 0.01 . 2 . . . . 76 TYR HB1 . 17029 1 943 . 1 1 76 76 TYR HB3 H 1 2.767 0.01 . 2 . . . . 76 TYR HB2 . 17029 1 944 . 1 1 76 76 TYR HD1 H 1 7.086 0.01 . 3 . . . . 76 TYR HD1 . 17029 1 945 . 1 1 76 76 TYR HD2 H 1 7.086 0.01 . 3 . . . . 76 TYR HD2 . 17029 1 946 . 1 1 76 76 TYR HE1 H 1 6.483 0.01 . 3 . . . . 76 TYR HE1 . 17029 1 947 . 1 1 76 76 TYR HE2 H 1 6.483 0.01 . 3 . . . . 76 TYR HE2 . 17029 1 948 . 1 1 76 76 TYR C C 13 176.771 0.15 . 1 . . . . 76 TYR C . 17029 1 949 . 1 1 76 76 TYR CA C 13 58.701 0.15 . 1 . . . . 76 TYR CA . 17029 1 950 . 1 1 76 76 TYR CB C 13 39.301 0.15 . 1 . . . . 76 TYR CB . 17029 1 951 . 1 1 76 76 TYR CD1 C 13 133.196 0.15 . 3 . . . . 76 TYR CD1 . 17029 1 952 . 1 1 76 76 TYR CD2 C 13 133.196 0.15 . 3 . . . . 76 TYR CD2 . 17029 1 953 . 1 1 76 76 TYR CE1 C 13 117.605 0.15 . 3 . . . . 76 TYR CE1 . 17029 1 954 . 1 1 76 76 TYR CE2 C 13 117.605 0.15 . 3 . . . . 76 TYR CE2 . 17029 1 955 . 1 1 76 76 TYR N N 15 123.526 0.05 . 1 . . . . 76 TYR N . 17029 1 956 . 1 1 77 77 VAL H H 1 8.854 0.01 . 1 . . . . 77 VAL HN . 17029 1 957 . 1 1 77 77 VAL HA H 1 3.961 0.01 . 1 . . . . 77 VAL HA . 17029 1 958 . 1 1 77 77 VAL HB H 1 2.081 0.01 . 1 . . . . 77 VAL HB . 17029 1 959 . 1 1 77 77 VAL HG11 H 1 0.981 0.01 . 1 . . . . 77 VAL HG11 . 17029 1 960 . 1 1 77 77 VAL HG12 H 1 0.981 0.01 . 1 . . . . 77 VAL HG11 . 17029 1 961 . 1 1 77 77 VAL HG13 H 1 0.981 0.01 . 1 . . . . 77 VAL HG11 . 17029 1 962 . 1 1 77 77 VAL HG21 H 1 0.802 0.01 . 1 . . . . 77 VAL HG21 . 17029 1 963 . 1 1 77 77 VAL HG22 H 1 0.802 0.01 . 1 . . . . 77 VAL HG21 . 17029 1 964 . 1 1 77 77 VAL HG23 H 1 0.802 0.01 . 1 . . . . 77 VAL HG21 . 17029 1 965 . 1 1 77 77 VAL C C 13 176.767 0.15 . 1 . . . . 77 VAL C . 17029 1 966 . 1 1 77 77 VAL CA C 13 63.290 0.15 . 1 . . . . 77 VAL CA . 17029 1 967 . 1 1 77 77 VAL CB C 13 31.305 0.15 . 1 . . . . 77 VAL CB . 17029 1 968 . 1 1 77 77 VAL CG1 C 13 21.578 0.15 . 1 . . . . 77 VAL CG1 . 17029 1 969 . 1 1 77 77 VAL CG2 C 13 21.566 0.15 . 1 . . . . 77 VAL CG2 . 17029 1 970 . 1 1 77 77 VAL N N 15 122.786 0.05 . 1 . . . . 77 VAL N . 17029 1 971 . 1 1 78 78 GLU H H 1 9.056 0.01 . 1 . . . . 78 GLU HN . 17029 1 972 . 1 1 78 78 GLU HA H 1 4.548 0.01 . 1 . . . . 78 GLU HA . 17029 1 973 . 1 1 78 78 GLU HB2 H 1 2.240 0.01 . 1 . . . . 78 GLU HB1 . 17029 1 974 . 1 1 78 78 GLU HB3 H 1 1.834 0.01 . 1 . . . . 78 GLU HB2 . 17029 1 975 . 1 1 78 78 GLU HG2 H 1 2.265 0.01 . 2 . . . . 78 GLU HG1 . 17029 1 976 . 1 1 78 78 GLU HG3 H 1 2.116 0.01 . 2 . . . . 78 GLU HG2 . 17029 1 977 . 1 1 78 78 GLU C C 13 175.817 0.15 . 1 . . . . 78 GLU C . 17029 1 978 . 1 1 78 78 GLU CA C 13 55.787 0.15 . 1 . . . . 78 GLU CA . 17029 1 979 . 1 1 78 78 GLU CB C 13 30.565 0.15 . 1 . . . . 78 GLU CB . 17029 1 980 . 1 1 78 78 GLU CG C 13 36.200 0.15 . 1 . . . . 78 GLU CG . 17029 1 981 . 1 1 78 78 GLU N N 15 129.146 0.05 . 1 . . . . 78 GLU N . 17029 1 982 . 1 1 79 79 ASP H H 1 7.247 0.01 . 1 . . . . 79 ASP HN . 17029 1 983 . 1 1 79 79 ASP HA H 1 4.655 0.01 . 1 . . . . 79 ASP HA . 17029 1 984 . 1 1 79 79 ASP HB2 H 1 3.070 0.01 . 1 . . . . 79 ASP HB1 . 17029 1 985 . 1 1 79 79 ASP HB3 H 1 2.276 0.01 . 1 . . . . 79 ASP HB2 . 17029 1 986 . 1 1 79 79 ASP C C 13 175.946 0.15 . 1 . . . . 79 ASP C . 17029 1 987 . 1 1 79 79 ASP CA C 13 54.207 0.15 . 1 . . . . 79 ASP CA . 17029 1 988 . 1 1 79 79 ASP CB C 13 42.970 0.15 . 1 . . . . 79 ASP CB . 17029 1 989 . 1 1 79 79 ASP N N 15 119.165 0.05 . 1 . . . . 79 ASP N . 17029 1 990 . 1 1 80 80 SER H H 1 8.895 0.01 . 1 . . . . 80 SER HN . 17029 1 991 . 1 1 80 80 SER HA H 1 4.189 0.01 . 1 . . . . 80 SER HA . 17029 1 992 . 1 1 80 80 SER HB2 H 1 3.762 0.01 . 1 . . . . 80 SER HB1 . 17029 1 993 . 1 1 80 80 SER HB3 H 1 3.972 0.01 . 1 . . . . 80 SER HB2 . 17029 1 994 . 1 1 80 80 SER C C 13 174.013 0.15 . 1 . . . . 80 SER C . 17029 1 995 . 1 1 80 80 SER CA C 13 61.132 0.15 . 1 . . . . 80 SER CA . 17029 1 996 . 1 1 80 80 SER CB C 13 63.278 0.15 . 1 . . . . 80 SER CB . 17029 1 997 . 1 1 80 80 SER N N 15 116.354 0.05 . 1 . . . . 80 SER N . 17029 1 998 . 1 1 81 81 PHE H H 1 7.848 0.01 . 1 . . . . 81 PHE HN . 17029 1 999 . 1 1 81 81 PHE HA H 1 4.608 0.01 . 1 . . . . 81 PHE HA . 17029 1 1000 . 1 1 81 81 PHE HB2 H 1 3.202 0.01 . 1 . . . . 81 PHE HB1 . 17029 1 1001 . 1 1 81 81 PHE HB3 H 1 2.732 0.01 . 1 . . . . 81 PHE HB2 . 17029 1 1002 . 1 1 81 81 PHE HD1 H 1 7.110 0.01 . 3 . . . . 81 PHE HD1 . 17029 1 1003 . 1 1 81 81 PHE HD2 H 1 7.306 0.01 . 3 . . . . 81 PHE HD2 . 17029 1 1004 . 1 1 81 81 PHE HE1 H 1 7.306 0.01 . 3 . . . . 81 PHE HE1 . 17029 1 1005 . 1 1 81 81 PHE HE2 H 1 7.306 0.01 . 3 . . . . 81 PHE HE2 . 17029 1 1006 . 1 1 81 81 PHE HZ H 1 7.339 0.01 . 1 . . . . 81 PHE HZ . 17029 1 1007 . 1 1 81 81 PHE C C 13 175.110 0.15 . 1 . . . . 81 PHE C . 17029 1 1008 . 1 1 81 81 PHE CA C 13 57.356 0.15 . 1 . . . . 81 PHE CA . 17029 1 1009 . 1 1 81 81 PHE CB C 13 41.948 0.15 . 1 . . . . 81 PHE CB . 17029 1 1010 . 1 1 81 81 PHE CD1 C 13 132.221 0.15 . 3 . . . . 81 PHE CD1 . 17029 1 1011 . 1 1 81 81 PHE CD2 C 13 132.221 0.15 . 3 . . . . 81 PHE CD2 . 17029 1 1012 . 1 1 81 81 PHE CE1 C 13 131.247 0.15 . 3 . . . . 81 PHE CE1 . 17029 1 1013 . 1 1 81 81 PHE CE2 C 13 131.247 0.15 . 3 . . . . 81 PHE CE2 . 17029 1 1014 . 1 1 81 81 PHE CZ C 13 129.785 0.15 . 1 . . . . 81 PHE CZ . 17029 1 1015 . 1 1 81 81 PHE N N 15 118.146 0.05 . 1 . . . . 81 PHE N . 17029 1 1016 . 1 1 82 82 LEU H H 1 9.630 0.01 . 1 . . . . 82 LEU HN . 17029 1 1017 . 1 1 82 82 LEU HA H 1 4.390 0.01 . 1 . . . . 82 LEU HA . 17029 1 1018 . 1 1 82 82 LEU HB2 H 1 1.188 0.01 . 1 . . . . 82 LEU HB1 . 17029 1 1019 . 1 1 82 82 LEU HB3 H 1 1.916 0.01 . 1 . . . . 82 LEU HB2 . 17029 1 1020 . 1 1 82 82 LEU HD11 H 1 0.811 0.01 . 2 . . . . 82 LEU HD11 . 17029 1 1021 . 1 1 82 82 LEU HD12 H 1 0.811 0.01 . 2 . . . . 82 LEU HD11 . 17029 1 1022 . 1 1 82 82 LEU HD13 H 1 0.811 0.01 . 2 . . . . 82 LEU HD11 . 17029 1 1023 . 1 1 82 82 LEU HD21 H 1 0.821 0.01 . 2 . . . . 82 LEU HD21 . 17029 1 1024 . 1 1 82 82 LEU HD22 H 1 0.821 0.01 . 2 . . . . 82 LEU HD21 . 17029 1 1025 . 1 1 82 82 LEU HD23 H 1 0.821 0.01 . 2 . . . . 82 LEU HD21 . 17029 1 1026 . 1 1 82 82 LEU HG H 1 1.726 0.01 . 1 . . . . 82 LEU HG . 17029 1 1027 . 1 1 82 82 LEU C C 13 176.355 0.15 . 1 . . . . 82 LEU C . 17029 1 1028 . 1 1 82 82 LEU CA C 13 55.307 0.15 . 1 . . . . 82 LEU CA . 17029 1 1029 . 1 1 82 82 LEU CB C 13 42.383 0.15 . 1 . . . . 82 LEU CB . 17029 1 1030 . 1 1 82 82 LEU CD1 C 13 26.965 0.15 . 2 . . . . 82 LEU CD1 . 17029 1 1031 . 1 1 82 82 LEU CD2 C 13 25.158 0.15 . 2 . . . . 82 LEU CD2 . 17029 1 1032 . 1 1 82 82 LEU CG C 13 27.212 0.15 . 1 . . . . 82 LEU CG . 17029 1 1033 . 1 1 82 82 LEU N N 15 123.533 0.05 . 1 . . . . 82 LEU N . 17029 1 1034 . 1 1 83 83 THR H H 1 7.738 0.01 . 1 . . . . 83 THR HN . 17029 1 1035 . 1 1 83 83 THR HA H 1 4.607 0.01 . 1 . . . . 83 THR HA . 17029 1 1036 . 1 1 83 83 THR HB H 1 4.775 0.01 . 1 . . . . 83 THR HB . 17029 1 1037 . 1 1 83 83 THR HG21 H 1 1.457 0.01 . 1 . . . . 83 THR HG21 . 17029 1 1038 . 1 1 83 83 THR HG22 H 1 1.457 0.01 . 1 . . . . 83 THR HG21 . 17029 1 1039 . 1 1 83 83 THR HG23 H 1 1.457 0.01 . 1 . . . . 83 THR HG21 . 17029 1 1040 . 1 1 83 83 THR CA C 13 59.177 0.15 . 1 . . . . 83 THR CA . 17029 1 1041 . 1 1 83 83 THR CB C 13 68.559 0.15 . 1 . . . . 83 THR CB . 17029 1 1042 . 1 1 83 83 THR CG2 C 13 22.652 0.15 . 1 . . . . 83 THR CG2 . 17029 1 1043 . 1 1 83 83 THR N N 15 113.054 0.05 . 1 . . . . 83 THR N . 17029 1 1044 . 1 1 84 84 PRO HA H 1 4.171 0.01 . 1 . . . . 84 PRO HA . 17029 1 1045 . 1 1 84 84 PRO HB2 H 1 2.377 0.01 . 2 . . . . 84 PRO HB1 . 17029 1 1046 . 1 1 84 84 PRO HB3 H 1 1.905 0.01 . 2 . . . . 84 PRO HB2 . 17029 1 1047 . 1 1 84 84 PRO HD2 H 1 3.951 0.01 . 2 . . . . 84 PRO HD1 . 17029 1 1048 . 1 1 84 84 PRO HD3 H 1 3.884 0.01 . 2 . . . . 84 PRO HD2 . 17029 1 1049 . 1 1 84 84 PRO HG2 H 1 2.204 0.01 . 2 . . . . 84 PRO HG1 . 17029 1 1050 . 1 1 84 84 PRO HG3 H 1 1.995 0.01 . 2 . . . . 84 PRO HG2 . 17029 1 1051 . 1 1 84 84 PRO C C 13 178.934 0.15 . 1 . . . . 84 PRO C . 17029 1 1052 . 1 1 84 84 PRO CA C 13 66.033 0.15 . 1 . . . . 84 PRO CA . 17029 1 1053 . 1 1 84 84 PRO CB C 13 31.837 0.15 . 1 . . . . 84 PRO CB . 17029 1 1054 . 1 1 84 84 PRO CD C 13 50.458 0.15 . 1 . . . . 84 PRO CD . 17029 1 1055 . 1 1 84 84 PRO CG C 13 28.117 0.15 . 1 . . . . 84 PRO CG . 17029 1 1056 . 1 1 85 85 GLU H H 1 8.829 0.01 . 1 . . . . 85 GLU HN . 17029 1 1057 . 1 1 85 85 GLU HA H 1 3.950 0.01 . 1 . . . . 85 GLU HA . 17029 1 1058 . 1 1 85 85 GLU HB2 H 1 1.918 0.01 . 1 . . . . 85 GLU HB1 . 17029 1 1059 . 1 1 85 85 GLU HB3 H 1 2.032 0.01 . 1 . . . . 85 GLU HB2 . 17029 1 1060 . 1 1 85 85 GLU HG2 H 1 2.404 0.01 . 2 . . . . 85 GLU HG1 . 17029 1 1061 . 1 1 85 85 GLU HG3 H 1 2.257 0.01 . 2 . . . . 85 GLU HG2 . 17029 1 1062 . 1 1 85 85 GLU C C 13 179.320 0.15 . 1 . . . . 85 GLU C . 17029 1 1063 . 1 1 85 85 GLU CA C 13 60.165 0.15 . 1 . . . . 85 GLU CA . 17029 1 1064 . 1 1 85 85 GLU CB C 13 28.710 0.15 . 1 . . . . 85 GLU CB . 17029 1 1065 . 1 1 85 85 GLU CG C 13 36.856 0.15 . 1 . . . . 85 GLU CG . 17029 1 1066 . 1 1 85 85 GLU N N 15 115.101 0.05 . 1 . . . . 85 GLU N . 17029 1 1067 . 1 1 86 86 ARG H H 1 7.704 0.01 . 1 . . . . 86 ARG HN . 17029 1 1068 . 1 1 86 86 ARG HA H 1 4.187 0.01 . 1 . . . . 86 ARG HA . 17029 1 1069 . 1 1 86 86 ARG HB2 H 1 1.906 0.01 . 1 . . . . 86 ARG HB1 . 17029 1 1070 . 1 1 86 86 ARG HB3 H 1 2.017 0.01 . 1 . . . . 86 ARG HB2 . 17029 1 1071 . 1 1 86 86 ARG HD2 H 1 3.342 0.01 . 2 . . . . 86 ARG HD1 . 17029 1 1072 . 1 1 86 86 ARG HD3 H 1 3.288 0.01 . 2 . . . . 86 ARG HD2 . 17029 1 1073 . 1 1 86 86 ARG HE H 1 7.542 0.01 . 1 . . . . 86 ARG HE . 17029 1 1074 . 1 1 86 86 ARG HG2 H 1 1.873 0.01 . 2 . . . . 86 ARG HG1 . 17029 1 1075 . 1 1 86 86 ARG HG3 H 1 1.724 0.01 . 2 . . . . 86 ARG HG2 . 17029 1 1076 . 1 1 86 86 ARG HH11 H 1 6.865 0.01 . 4 . . . . 86 ARG HH11 . 17029 1 1077 . 1 1 86 86 ARG HH12 H 1 6.865 0.01 . 4 . . . . 86 ARG HH12 . 17029 1 1078 . 1 1 86 86 ARG HH21 H 1 6.865 0.01 . 4 . . . . 86 ARG HH21 . 17029 1 1079 . 1 1 86 86 ARG HH22 H 1 6.865 0.01 . 4 . . . . 86 ARG HH22 . 17029 1 1080 . 1 1 86 86 ARG C C 13 179.604 0.15 . 1 . . . . 86 ARG C . 17029 1 1081 . 1 1 86 86 ARG CA C 13 57.597 0.15 . 1 . . . . 86 ARG CA . 17029 1 1082 . 1 1 86 86 ARG CB C 13 30.193 0.15 . 1 . . . . 86 ARG CB . 17029 1 1083 . 1 1 86 86 ARG CD C 13 42.822 0.15 . 1 . . . . 86 ARG CD . 17029 1 1084 . 1 1 86 86 ARG CG C 13 27.360 0.15 . 1 . . . . 86 ARG CG . 17029 1 1085 . 1 1 86 86 ARG N N 15 120.600 0.05 . 1 . . . . 86 ARG N . 17029 1 1086 . 1 1 86 86 ARG NE N 15 85.249 0.05 . 1 . . . . 86 ARG NE . 17029 1 1087 . 1 1 87 87 LEU H H 1 8.052 0.01 . 1 . . . . 87 LEU HN . 17029 1 1088 . 1 1 87 87 LEU HA H 1 3.796 0.01 . 1 . . . . 87 LEU HA . 17029 1 1089 . 1 1 87 87 LEU HB2 H 1 1.513 0.01 . 1 . . . . 87 LEU HB1 . 17029 1 1090 . 1 1 87 87 LEU HB3 H 1 1.968 0.01 . 1 . . . . 87 LEU HB2 . 17029 1 1091 . 1 1 87 87 LEU HD11 H 1 0.700 0.01 . 2 . . . . 87 LEU HD11 . 17029 1 1092 . 1 1 87 87 LEU HD12 H 1 0.700 0.01 . 2 . . . . 87 LEU HD11 . 17029 1 1093 . 1 1 87 87 LEU HD13 H 1 0.700 0.01 . 2 . . . . 87 LEU HD11 . 17029 1 1094 . 1 1 87 87 LEU HD21 H 1 0.664 0.01 . 2 . . . . 87 LEU HD21 . 17029 1 1095 . 1 1 87 87 LEU HD22 H 1 0.664 0.01 . 2 . . . . 87 LEU HD21 . 17029 1 1096 . 1 1 87 87 LEU HD23 H 1 0.664 0.01 . 2 . . . . 87 LEU HD21 . 17029 1 1097 . 1 1 87 87 LEU HG H 1 1.602 0.01 . 1 . . . . 87 LEU HG . 17029 1 1098 . 1 1 87 87 LEU C C 13 177.823 0.15 . 1 . . . . 87 LEU C . 17029 1 1099 . 1 1 87 87 LEU CA C 13 58.149 0.15 . 1 . . . . 87 LEU CA . 17029 1 1100 . 1 1 87 87 LEU CB C 13 41.165 0.15 . 1 . . . . 87 LEU CB . 17029 1 1101 . 1 1 87 87 LEU CD1 C 13 25.251 0.15 . 2 . . . . 87 LEU CD1 . 17029 1 1102 . 1 1 87 87 LEU CD2 C 13 24.614 0.15 . 2 . . . . 87 LEU CD2 . 17029 1 1103 . 1 1 87 87 LEU CG C 13 26.728 0.15 . 1 . . . . 87 LEU CG . 17029 1 1104 . 1 1 87 87 LEU N N 15 120.446 0.05 . 1 . . . . 87 LEU N . 17029 1 1105 . 1 1 88 88 VAL H H 1 8.042 0.01 . 1 . . . . 88 VAL HN . 17029 1 1106 . 1 1 88 88 VAL HA H 1 3.621 0.01 . 1 . . . . 88 VAL HA . 17029 1 1107 . 1 1 88 88 VAL HB H 1 2.024 0.01 . 1 . . . . 88 VAL HB . 17029 1 1108 . 1 1 88 88 VAL HG11 H 1 0.915 0.01 . 1 . . . . 88 VAL HG11 . 17029 1 1109 . 1 1 88 88 VAL HG12 H 1 0.915 0.01 . 1 . . . . 88 VAL HG11 . 17029 1 1110 . 1 1 88 88 VAL HG13 H 1 0.915 0.01 . 1 . . . . 88 VAL HG11 . 17029 1 1111 . 1 1 88 88 VAL HG21 H 1 1.031 0.01 . 1 . . . . 88 VAL HG21 . 17029 1 1112 . 1 1 88 88 VAL HG22 H 1 1.031 0.01 . 1 . . . . 88 VAL HG21 . 17029 1 1113 . 1 1 88 88 VAL HG23 H 1 1.031 0.01 . 1 . . . . 88 VAL HG21 . 17029 1 1114 . 1 1 88 88 VAL C C 13 178.586 0.15 . 1 . . . . 88 VAL C . 17029 1 1115 . 1 1 88 88 VAL CA C 13 66.182 0.15 . 1 . . . . 88 VAL CA . 17029 1 1116 . 1 1 88 88 VAL CB C 13 31.858 0.15 . 1 . . . . 88 VAL CB . 17029 1 1117 . 1 1 88 88 VAL CG1 C 13 21.050 0.15 . 1 . . . . 88 VAL CG1 . 17029 1 1118 . 1 1 88 88 VAL CG2 C 13 23.115 0.15 . 1 . . . . 88 VAL CG2 . 17029 1 1119 . 1 1 88 88 VAL N N 15 118.507 0.05 . 1 . . . . 88 VAL N . 17029 1 1120 . 1 1 89 89 GLU H H 1 7.406 0.01 . 1 . . . . 89 GLU HN . 17029 1 1121 . 1 1 89 89 GLU HA H 1 3.919 0.01 . 1 . . . . 89 GLU HA . 17029 1 1122 . 1 1 89 89 GLU HB2 H 1 1.995 0.01 . 1 . . . . 89 GLU HB1 . 17029 1 1123 . 1 1 89 89 GLU HB3 H 1 2.043 0.01 . 1 . . . . 89 GLU HB2 . 17029 1 1124 . 1 1 89 89 GLU HG2 H 1 2.267 0.01 . 2 . . . . 89 GLU HG1 . 17029 1 1125 . 1 1 89 89 GLU HG3 H 1 2.102 0.01 . 2 . . . . 89 GLU HG2 . 17029 1 1126 . 1 1 89 89 GLU C C 13 179.163 0.15 . 1 . . . . 89 GLU C . 17029 1 1127 . 1 1 89 89 GLU CA C 13 58.947 0.15 . 1 . . . . 89 GLU CA . 17029 1 1128 . 1 1 89 89 GLU CB C 13 29.953 0.15 . 1 . . . . 89 GLU CB . 17029 1 1129 . 1 1 89 89 GLU CG C 13 36.040 0.15 . 1 . . . . 89 GLU CG . 17029 1 1130 . 1 1 89 89 GLU N N 15 118.424 0.05 . 1 . . . . 89 GLU N . 17029 1 1131 . 1 1 90 90 ALA H H 1 7.613 0.01 . 1 . . . . 90 ALA HN . 17029 1 1132 . 1 1 90 90 ALA HA H 1 3.647 0.01 . 1 . . . . 90 ALA HA . 17029 1 1133 . 1 1 90 90 ALA HB1 H 1 0.407 0.01 . 1 . . . . 90 ALA HB1 . 17029 1 1134 . 1 1 90 90 ALA HB2 H 1 0.407 0.01 . 1 . . . . 90 ALA HB1 . 17029 1 1135 . 1 1 90 90 ALA HB3 H 1 0.407 0.01 . 1 . . . . 90 ALA HB1 . 17029 1 1136 . 1 1 90 90 ALA C C 13 178.698 0.15 . 1 . . . . 90 ALA C . 17029 1 1137 . 1 1 90 90 ALA CA C 13 54.170 0.15 . 1 . . . . 90 ALA CA . 17029 1 1138 . 1 1 90 90 ALA CB C 13 17.994 0.15 . 1 . . . . 90 ALA CB . 17029 1 1139 . 1 1 90 90 ALA N N 15 122.074 0.05 . 1 . . . . 90 ALA N . 17029 1 1140 . 1 1 91 91 GLU H H 1 8.242 0.01 . 1 . . . . 91 GLU HN . 17029 1 1141 . 1 1 91 91 GLU HA H 1 3.747 0.01 . 1 . . . . 91 GLU HA . 17029 1 1142 . 1 1 91 91 GLU HB2 H 1 1.943 0.01 . 1 . . . . 91 GLU HB1 . 17029 1 1143 . 1 1 91 91 GLU HB3 H 1 2.156 0.01 . 1 . . . . 91 GLU HB2 . 17029 1 1144 . 1 1 91 91 GLU HG2 H 1 2.405 0.01 . 2 . . . . 91 GLU HG1 . 17029 1 1145 . 1 1 91 91 GLU HG3 H 1 2.311 0.01 . 2 . . . . 91 GLU HG2 . 17029 1 1146 . 1 1 91 91 GLU C C 13 177.910 0.15 . 1 . . . . 91 GLU C . 17029 1 1147 . 1 1 91 91 GLU CA C 13 59.655 0.15 . 1 . . . . 91 GLU CA . 17029 1 1148 . 1 1 91 91 GLU CB C 13 29.016 0.15 . 1 . . . . 91 GLU CB . 17029 1 1149 . 1 1 91 91 GLU CG C 13 36.145 0.15 . 1 . . . . 91 GLU CG . 17029 1 1150 . 1 1 91 91 GLU N N 15 119.740 0.05 . 1 . . . . 91 GLU N . 17029 1 1151 . 1 1 92 92 LYS H H 1 7.120 0.01 . 1 . . . . 92 LYS HN . 17029 1 1152 . 1 1 92 92 LYS HA H 1 4.250 0.01 . 1 . . . . 92 LYS HA . 17029 1 1153 . 1 1 92 92 LYS HB2 H 1 2.000 0.01 . 1 . . . . 92 LYS HB1 . 17029 1 1154 . 1 1 92 92 LYS HB3 H 1 1.794 0.01 . 1 . . . . 92 LYS HB2 . 17029 1 1155 . 1 1 92 92 LYS HD2 H 1 1.649 0.01 . 2 . . . . 92 LYS HD1 . 17029 1 1156 . 1 1 92 92 LYS HD3 H 1 1.649 0.01 . 2 . . . . 92 LYS HD2 . 17029 1 1157 . 1 1 92 92 LYS HE2 H 1 2.926 0.01 . 2 . . . . 92 LYS HE1 . 17029 1 1158 . 1 1 92 92 LYS HE3 H 1 2.926 0.01 . 2 . . . . 92 LYS HE2 . 17029 1 1159 . 1 1 92 92 LYS HG2 H 1 1.625 0.01 . 2 . . . . 92 LYS HG1 . 17029 1 1160 . 1 1 92 92 LYS HG3 H 1 1.517 0.01 . 2 . . . . 92 LYS HG2 . 17029 1 1161 . 1 1 92 92 LYS C C 13 176.400 0.15 . 1 . . . . 92 LYS C . 17029 1 1162 . 1 1 92 92 LYS CA C 13 56.513 0.15 . 1 . . . . 92 LYS CA . 17029 1 1163 . 1 1 92 92 LYS CB C 13 32.794 0.15 . 1 . . . . 92 LYS CB . 17029 1 1164 . 1 1 92 92 LYS CD C 13 29.253 0.15 . 1 . . . . 92 LYS CD . 17029 1 1165 . 1 1 92 92 LYS CE C 13 42.200 0.15 . 1 . . . . 92 LYS CE . 17029 1 1166 . 1 1 92 92 LYS CG C 13 25.100 0.15 . 1 . . . . 92 LYS CG . 17029 1 1167 . 1 1 92 92 LYS N N 15 113.877 0.05 . 1 . . . . 92 LYS N . 17029 1 1168 . 1 1 93 93 SER H H 1 7.797 0.01 . 1 . . . . 93 SER HN . 17029 1 1169 . 1 1 93 93 SER HA H 1 4.609 0.01 . 1 . . . . 93 SER HA . 17029 1 1170 . 1 1 93 93 SER HB2 H 1 3.759 0.01 . 1 . . . . 93 SER HB1 . 17029 1 1171 . 1 1 93 93 SER HB3 H 1 3.882 0.01 . 1 . . . . 93 SER HB2 . 17029 1 1172 . 1 1 93 93 SER HG H 1 5.181 0.01 . 1 . . . . 93 SER HG . 17029 1 1173 . 1 1 93 93 SER C C 13 172.938 0.15 . 1 . . . . 93 SER C . 17029 1 1174 . 1 1 93 93 SER CA C 13 56.495 0.15 . 1 . . . . 93 SER CA . 17029 1 1175 . 1 1 93 93 SER CB C 13 63.874 0.15 . 1 . . . . 93 SER CB . 17029 1 1176 . 1 1 93 93 SER N N 15 116.115 0.05 . 1 . . . . 93 SER N . 17029 1 1177 . 1 1 94 94 TYR H H 1 8.728 0.01 . 1 . . . . 94 TYR HN . 17029 1 1178 . 1 1 94 94 TYR HA H 1 4.692 0.01 . 1 . . . . 94 TYR HA . 17029 1 1179 . 1 1 94 94 TYR HB2 H 1 3.156 0.01 . 1 . . . . 94 TYR HB1 . 17029 1 1180 . 1 1 94 94 TYR HB3 H 1 3.567 0.01 . 1 . . . . 94 TYR HB2 . 17029 1 1181 . 1 1 94 94 TYR HD1 H 1 6.873 0.01 . 3 . . . . 94 TYR HD1 . 17029 1 1182 . 1 1 94 94 TYR HD2 H 1 6.873 0.01 . 3 . . . . 94 TYR HD2 . 17029 1 1183 . 1 1 94 94 TYR HE1 H 1 6.603 0.01 . 3 . . . . 94 TYR HE1 . 17029 1 1184 . 1 1 94 94 TYR HE2 H 1 6.603 0.01 . 3 . . . . 94 TYR HE2 . 17029 1 1185 . 1 1 94 94 TYR C C 13 173.403 0.15 . 1 . . . . 94 TYR C . 17029 1 1186 . 1 1 94 94 TYR CA C 13 56.754 0.15 . 1 . . . . 94 TYR CA . 17029 1 1187 . 1 1 94 94 TYR CB C 13 36.778 0.15 . 1 . . . . 94 TYR CB . 17029 1 1188 . 1 1 94 94 TYR CD1 C 13 134.090 0.15 . 3 . . . . 94 TYR CD1 . 17029 1 1189 . 1 1 94 94 TYR CD2 C 13 134.090 0.15 . 3 . . . . 94 TYR CD2 . 17029 1 1190 . 1 1 94 94 TYR CE1 C 13 118.093 0.15 . 3 . . . . 94 TYR CE1 . 17029 1 1191 . 1 1 94 94 TYR CE2 C 13 118.093 0.15 . 3 . . . . 94 TYR CE2 . 17029 1 1192 . 1 1 94 94 TYR N N 15 122.630 0.05 . 1 . . . . 94 TYR N . 17029 1 1193 . 1 1 95 95 PHE H H 1 9.026 0.01 . 1 . . . . 95 PHE HN . 17029 1 1194 . 1 1 95 95 PHE HA H 1 5.237 0.01 . 1 . . . . 95 PHE HA . 17029 1 1195 . 1 1 95 95 PHE HB2 H 1 3.139 0.01 . 1 . . . . 95 PHE HB1 . 17029 1 1196 . 1 1 95 95 PHE HB3 H 1 2.746 0.01 . 1 . . . . 95 PHE HB2 . 17029 1 1197 . 1 1 95 95 PHE HD1 H 1 6.817 0.01 . 3 . . . . 95 PHE HD1 . 17029 1 1198 . 1 1 95 95 PHE HD2 H 1 6.817 0.01 . 3 . . . . 95 PHE HD2 . 17029 1 1199 . 1 1 95 95 PHE HE1 H 1 6.313 0.01 . 3 . . . . 95 PHE HE1 . 17029 1 1200 . 1 1 95 95 PHE HE2 H 1 6.535 0.01 . 3 . . . . 95 PHE HE2 . 17029 1 1201 . 1 1 95 95 PHE HZ H 1 6.535 0.01 . 1 . . . . 95 PHE HZ . 17029 1 1202 . 1 1 95 95 PHE C C 13 176.094 0.15 . 1 . . . . 95 PHE C . 17029 1 1203 . 1 1 95 95 PHE CA C 13 56.633 0.15 . 1 . . . . 95 PHE CA . 17029 1 1204 . 1 1 95 95 PHE CB C 13 44.225 0.15 . 1 . . . . 95 PHE CB . 17029 1 1205 . 1 1 95 95 PHE CD1 C 13 131.247 0.15 . 3 . . . . 95 PHE CD1 . 17029 1 1206 . 1 1 95 95 PHE CD2 C 13 131.247 0.15 . 3 . . . . 95 PHE CD2 . 17029 1 1207 . 1 1 95 95 PHE CE1 C 13 131.003 0.15 . 3 . . . . 95 PHE CE1 . 17029 1 1208 . 1 1 95 95 PHE CE2 C 13 128.811 0.15 . 3 . . . . 95 PHE CE2 . 17029 1 1209 . 1 1 95 95 PHE CZ C 13 128.811 0.15 . 1 . . . . 95 PHE CZ . 17029 1 1210 . 1 1 95 95 PHE N N 15 113.602 0.05 . 1 . . . . 95 PHE N . 17029 1 1211 . 1 1 96 96 ILE H H 1 8.708 0.01 . 1 . . . . 96 ILE HN . 17029 1 1212 . 1 1 96 96 ILE HA H 1 5.017 0.01 . 1 . . . . 96 ILE HA . 17029 1 1213 . 1 1 96 96 ILE HB H 1 1.681 0.01 . 1 . . . . 96 ILE HB . 17029 1 1214 . 1 1 96 96 ILE HD11 H 1 0.794 0.01 . 1 . . . . 96 ILE HD11 . 17029 1 1215 . 1 1 96 96 ILE HD12 H 1 0.794 0.01 . 1 . . . . 96 ILE HD11 . 17029 1 1216 . 1 1 96 96 ILE HD13 H 1 0.794 0.01 . 1 . . . . 96 ILE HD11 . 17029 1 1217 . 1 1 96 96 ILE HG12 H 1 1.585 0.01 . 9 . . . . 96 ILE HG11 . 17029 1 1218 . 1 1 96 96 ILE HG13 H 1 1.163 0.01 . 9 . . . . 96 ILE HG12 . 17029 1 1219 . 1 1 96 96 ILE HG21 H 1 0.912 0.01 . 1 . . . . 96 ILE HG21 . 17029 1 1220 . 1 1 96 96 ILE HG22 H 1 0.912 0.01 . 1 . . . . 96 ILE HG21 . 17029 1 1221 . 1 1 96 96 ILE HG23 H 1 0.912 0.01 . 1 . . . . 96 ILE HG21 . 17029 1 1222 . 1 1 96 96 ILE C C 13 174.547 0.15 . 1 . . . . 96 ILE C . 17029 1 1223 . 1 1 96 96 ILE CA C 13 60.204 0.15 . 1 . . . . 96 ILE CA . 17029 1 1224 . 1 1 96 96 ILE CB C 13 40.602 0.15 . 1 . . . . 96 ILE CB . 17029 1 1225 . 1 1 96 96 ILE CD1 C 13 13.952 0.15 . 1 . . . . 96 ILE CD1 . 17029 1 1226 . 1 1 96 96 ILE CG1 C 13 29.259 0.15 . 1 . . . . 96 ILE CG1 . 17029 1 1227 . 1 1 96 96 ILE CG2 C 13 18.156 0.15 . 1 . . . . 96 ILE CG2 . 17029 1 1228 . 1 1 96 96 ILE N N 15 120.369 0.05 . 1 . . . . 96 ILE N . 17029 1 1229 . 1 1 97 97 LEU H H 1 9.192 0.01 . 1 . . . . 97 LEU HN . 17029 1 1230 . 1 1 97 97 LEU HA H 1 5.207 0.01 . 1 . . . . 97 LEU HA . 17029 1 1231 . 1 1 97 97 LEU HB2 H 1 1.664 0.01 . 1 . . . . 97 LEU HB1 . 17029 1 1232 . 1 1 97 97 LEU HB3 H 1 0.991 0.01 . 1 . . . . 97 LEU HB2 . 17029 1 1233 . 1 1 97 97 LEU HD11 H 1 0.727 0.01 . 2 . . . . 97 LEU HD11 . 17029 1 1234 . 1 1 97 97 LEU HD12 H 1 0.727 0.01 . 2 . . . . 97 LEU HD11 . 17029 1 1235 . 1 1 97 97 LEU HD13 H 1 0.727 0.01 . 2 . . . . 97 LEU HD11 . 17029 1 1236 . 1 1 97 97 LEU HD21 H 1 0.861 0.01 . 2 . . . . 97 LEU HD21 . 17029 1 1237 . 1 1 97 97 LEU HD22 H 1 0.861 0.01 . 2 . . . . 97 LEU HD21 . 17029 1 1238 . 1 1 97 97 LEU HD23 H 1 0.861 0.01 . 2 . . . . 97 LEU HD21 . 17029 1 1239 . 1 1 97 97 LEU HG H 1 1.375 0.01 . 1 . . . . 97 LEU HG . 17029 1 1240 . 1 1 97 97 LEU C C 13 173.458 0.15 . 1 . . . . 97 LEU C . 17029 1 1241 . 1 1 97 97 LEU CA C 13 53.346 0.15 . 1 . . . . 97 LEU CA . 17029 1 1242 . 1 1 97 97 LEU CB C 13 44.720 0.15 . 1 . . . . 97 LEU CB . 17029 1 1243 . 1 1 97 97 LEU CD1 C 13 27.654 0.15 . 2 . . . . 97 LEU CD1 . 17029 1 1244 . 1 1 97 97 LEU CD2 C 13 24.259 0.15 . 2 . . . . 97 LEU CD2 . 17029 1 1245 . 1 1 97 97 LEU CG C 13 27.650 0.15 . 1 . . . . 97 LEU CG . 17029 1 1246 . 1 1 97 97 LEU N N 15 129.608 0.05 . 1 . . . . 97 LEU N . 17029 1 1247 . 1 1 98 98 ARG H H 1 8.890 0.01 . 1 . . . . 98 ARG HN . 17029 1 1248 . 1 1 98 98 ARG HA H 1 5.109 0.01 . 1 . . . . 98 ARG HA . 17029 1 1249 . 1 1 98 98 ARG HB2 H 1 2.014 0.01 . 1 . . . . 98 ARG HB1 . 17029 1 1250 . 1 1 98 98 ARG HB3 H 1 1.813 0.01 . 1 . . . . 98 ARG HB2 . 17029 1 1251 . 1 1 98 98 ARG HD2 H 1 3.325 0.01 . 2 . . . . 98 ARG HD1 . 17029 1 1252 . 1 1 98 98 ARG HD3 H 1 2.984 0.01 . 2 . . . . 98 ARG HD2 . 17029 1 1253 . 1 1 98 98 ARG HE H 1 7.008 0.01 . 1 . . . . 98 ARG HE . 17029 1 1254 . 1 1 98 98 ARG HG2 H 1 1.550 0.01 . 2 . . . . 98 ARG HG1 . 17029 1 1255 . 1 1 98 98 ARG HG3 H 1 1.408 0.01 . 2 . . . . 98 ARG HG2 . 17029 1 1256 . 1 1 98 98 ARG HH11 H 1 6.485 0.01 . 4 . . . . 98 ARG HH11 . 17029 1 1257 . 1 1 98 98 ARG HH12 H 1 6.485 0.01 . 4 . . . . 98 ARG HH12 . 17029 1 1258 . 1 1 98 98 ARG HH21 H 1 6.485 0.01 . 4 . . . . 98 ARG HH21 . 17029 1 1259 . 1 1 98 98 ARG HH22 H 1 6.485 0.01 . 4 . . . . 98 ARG HH22 . 17029 1 1260 . 1 1 98 98 ARG CA C 13 54.141 0.15 . 1 . . . . 98 ARG CA . 17029 1 1261 . 1 1 98 98 ARG CB C 13 33.911 0.15 . 1 . . . . 98 ARG CB . 17029 1 1262 . 1 1 98 98 ARG CD C 13 43.956 0.15 . 1 . . . . 98 ARG CD . 17029 1 1263 . 1 1 98 98 ARG CG C 13 24.499 0.15 . 1 . . . . 98 ARG CG . 17029 1 1264 . 1 1 98 98 ARG N N 15 121.815 0.05 . 1 . . . . 98 ARG N . 17029 1 1265 . 1 1 98 98 ARG NE N 15 84.394 0.05 . 1 . . . . 98 ARG NE . 17029 1 1266 . 1 1 99 99 MET H H 1 8.608 0.01 . 1 . . . . 99 MET HN . 17029 1 1267 . 1 1 99 99 MET HA H 1 3.909 0.01 . 1 . . . . 99 MET HA . 17029 1 1268 . 1 1 99 99 MET HB2 H 1 1.667 0.01 . 1 . . . . 99 MET HB1 . 17029 1 1269 . 1 1 99 99 MET HB3 H 1 1.566 0.01 . 1 . . . . 99 MET HB2 . 17029 1 1270 . 1 1 99 99 MET HE1 H 1 1.951 0.01 . 1 . . . . 99 MET HE1 . 17029 1 1271 . 1 1 99 99 MET HE2 H 1 1.951 0.01 . 1 . . . . 99 MET HE1 . 17029 1 1272 . 1 1 99 99 MET HE3 H 1 1.951 0.01 . 1 . . . . 99 MET HE1 . 17029 1 1273 . 1 1 99 99 MET HG2 H 1 1.972 0.01 . 2 . . . . 99 MET HG1 . 17029 1 1274 . 1 1 99 99 MET HG3 H 1 1.579 0.01 . 2 . . . . 99 MET HG2 . 17029 1 1275 . 1 1 99 99 MET C C 13 176.330 0.15 . 1 . . . . 99 MET C . 17029 1 1276 . 1 1 99 99 MET CA C 13 55.803 0.15 . 1 . . . . 99 MET CA . 17029 1 1277 . 1 1 99 99 MET CB C 13 32.788 0.15 . 1 . . . . 99 MET CB . 17029 1 1278 . 1 1 99 99 MET CE C 13 17.110 0.15 . 1 . . . . 99 MET CE . 17029 1 1279 . 1 1 99 99 MET CG C 13 32.215 0.15 . 1 . . . . 99 MET CG . 17029 1 1280 . 1 1 99 99 MET N N 15 120.750 0.05 . 1 . . . . 99 MET N . 17029 1 1281 . 1 1 100 100 LYS H H 1 8.265 0.01 . 1 . . . . 100 LYS HN . 17029 1 1282 . 1 1 100 100 LYS HA H 1 4.047 0.01 . 1 . . . . 100 LYS HA . 17029 1 1283 . 1 1 100 100 LYS HB2 H 1 1.481 0.01 . 1 . . . . 100 LYS HB1 . 17029 1 1284 . 1 1 100 100 LYS HB3 H 1 1.212 0.01 . 1 . . . . 100 LYS HB2 . 17029 1 1285 . 1 1 100 100 LYS HD2 H 1 1.258 0.01 . 2 . . . . 100 LYS HD1 . 17029 1 1286 . 1 1 100 100 LYS HD3 H 1 1.204 0.01 . 2 . . . . 100 LYS HD2 . 17029 1 1287 . 1 1 100 100 LYS HE2 H 1 2.499 0.01 . 2 . . . . 100 LYS HE1 . 17029 1 1288 . 1 1 100 100 LYS HE3 H 1 2.499 0.01 . 2 . . . . 100 LYS HE2 . 17029 1 1289 . 1 1 100 100 LYS HG2 H 1 0.878 0.01 . 2 . . . . 100 LYS HG1 . 17029 1 1290 . 1 1 100 100 LYS HG3 H 1 0.735 0.01 . 2 . . . . 100 LYS HG2 . 17029 1 1291 . 1 1 100 100 LYS CA C 13 54.709 0.15 . 1 . . . . 100 LYS CA . 17029 1 1292 . 1 1 100 100 LYS CB C 13 32.532 0.15 . 1 . . . . 100 LYS CB . 17029 1 1293 . 1 1 100 100 LYS CD C 13 29.472 0.15 . 1 . . . . 100 LYS CD . 17029 1 1294 . 1 1 100 100 LYS CE C 13 41.640 0.15 . 1 . . . . 100 LYS CE . 17029 1 1295 . 1 1 100 100 LYS CG C 13 25.124 0.15 . 1 . . . . 100 LYS CG . 17029 1 1296 . 1 1 100 100 LYS N N 15 127.101 0.05 . 1 . . . . 100 LYS N . 17029 1 1297 . 1 1 101 101 PRO HA H 1 4.259 0.01 . 1 . . . . 101 PRO HA . 17029 1 1298 . 1 1 101 101 PRO HB2 H 1 2.178 0.01 . 2 . . . . 101 PRO HB1 . 17029 1 1299 . 1 1 101 101 PRO HB3 H 1 1.748 0.01 . 2 . . . . 101 PRO HB2 . 17029 1 1300 . 1 1 101 101 PRO HD2 H 1 3.658 0.01 . 2 . . . . 101 PRO HD1 . 17029 1 1301 . 1 1 101 101 PRO HD3 H 1 3.317 0.01 . 2 . . . . 101 PRO HD2 . 17029 1 1302 . 1 1 101 101 PRO HG2 H 1 1.917 0.01 . 2 . . . . 101 PRO HG1 . 17029 1 1303 . 1 1 101 101 PRO HG3 H 1 1.917 0.01 . 2 . . . . 101 PRO HG2 . 17029 1 1304 . 1 1 101 101 PRO C C 13 176.577 0.15 . 1 . . . . 101 PRO C . 17029 1 1305 . 1 1 101 101 PRO CA C 13 63.196 0.15 . 1 . . . . 101 PRO CA . 17029 1 1306 . 1 1 101 101 PRO CB C 13 32.014 0.15 . 1 . . . . 101 PRO CB . 17029 1 1307 . 1 1 101 101 PRO CD C 13 50.349 0.15 . 1 . . . . 101 PRO CD . 17029 1 1308 . 1 1 101 101 PRO CG C 13 27.424 0.15 . 1 . . . . 101 PRO CG . 17029 1 1309 . 1 1 102 102 HIS H H 1 8.403 0.01 . 1 . . . . 102 HIS HN . 17029 1 1310 . 1 1 102 102 HIS HA H 1 4.495 0.01 . 1 . . . . 102 HIS HA . 17029 1 1311 . 1 1 102 102 HIS HB2 H 1 3.093 0.01 . 2 . . . . 102 HIS HB1 . 17029 1 1312 . 1 1 102 102 HIS HB3 H 1 3.093 0.01 . 2 . . . . 102 HIS HB2 . 17029 1 1313 . 1 1 102 102 HIS HD2 H 1 7.102 0.01 . 1 . . . . 102 HIS HD2 . 17029 1 1314 . 1 1 102 102 HIS C C 13 174.578 0.15 . 1 . . . . 102 HIS C . 17029 1 1315 . 1 1 102 102 HIS CA C 13 55.700 0.15 . 1 . . . . 102 HIS CA . 17029 1 1316 . 1 1 102 102 HIS CB C 13 29.546 0.15 . 1 . . . . 102 HIS CB . 17029 1 1317 . 1 1 102 102 HIS CD2 C 13 120.041 0.15 . 1 . . . . 102 HIS CD2 . 17029 1 1318 . 1 1 102 102 HIS N N 15 118.975 0.05 . 1 . . . . 102 HIS N . 17029 1 1319 . 1 1 103 103 ALA H H 1 8.218 0.01 . 1 . . . . 103 ALA HN . 17029 1 1320 . 1 1 103 103 ALA HA H 1 4.251 0.01 . 1 . . . . 103 ALA HA . 17029 1 1321 . 1 1 103 103 ALA HB1 H 1 1.304 0.01 . 1 . . . . 103 ALA HB1 . 17029 1 1322 . 1 1 103 103 ALA HB2 H 1 1.304 0.01 . 1 . . . . 103 ALA HB1 . 17029 1 1323 . 1 1 103 103 ALA HB3 H 1 1.304 0.01 . 1 . . . . 103 ALA HB1 . 17029 1 1324 . 1 1 103 103 ALA C C 13 177.504 0.15 . 1 . . . . 103 ALA C . 17029 1 1325 . 1 1 103 103 ALA CA C 13 52.440 0.15 . 1 . . . . 103 ALA CA . 17029 1 1326 . 1 1 103 103 ALA CB C 13 19.270 0.15 . 1 . . . . 103 ALA CB . 17029 1 1327 . 1 1 103 103 ALA N N 15 125.221 0.05 . 1 . . . . 103 ALA N . 17029 1 1328 . 1 1 104 104 ILE H H 1 8.133 0.01 . 1 . . . . 104 ILE HN . 17029 1 1329 . 1 1 104 104 ILE HA H 1 4.063 0.01 . 1 . . . . 104 ILE HA . 17029 1 1330 . 1 1 104 104 ILE HB H 1 1.789 0.01 . 1 . . . . 104 ILE HB . 17029 1 1331 . 1 1 104 104 ILE HD11 H 1 0.810 0.01 . 1 . . . . 104 ILE HD11 . 17029 1 1332 . 1 1 104 104 ILE HD12 H 1 0.810 0.01 . 1 . . . . 104 ILE HD11 . 17029 1 1333 . 1 1 104 104 ILE HD13 H 1 0.810 0.01 . 1 . . . . 104 ILE HD11 . 17029 1 1334 . 1 1 104 104 ILE HG12 H 1 1.424 0.01 . 9 . . . . 104 ILE HG11 . 17029 1 1335 . 1 1 104 104 ILE HG13 H 1 1.122 0.01 . 9 . . . . 104 ILE HG12 . 17029 1 1336 . 1 1 104 104 ILE HG21 H 1 0.872 0.01 . 1 . . . . 104 ILE HG21 . 17029 1 1337 . 1 1 104 104 ILE HG22 H 1 0.872 0.01 . 1 . . . . 104 ILE HG21 . 17029 1 1338 . 1 1 104 104 ILE HG23 H 1 0.872 0.01 . 1 . . . . 104 ILE HG21 . 17029 1 1339 . 1 1 104 104 ILE C C 13 175.965 0.15 . 1 . . . . 104 ILE C . 17029 1 1340 . 1 1 104 104 ILE CA C 13 61.142 0.15 . 1 . . . . 104 ILE CA . 17029 1 1341 . 1 1 104 104 ILE CB C 13 38.678 0.15 . 1 . . . . 104 ILE CB . 17029 1 1342 . 1 1 104 104 ILE CD1 C 13 12.898 0.15 . 1 . . . . 104 ILE CD1 . 17029 1 1343 . 1 1 104 104 ILE CG1 C 13 27.278 0.15 . 1 . . . . 104 ILE CG1 . 17029 1 1344 . 1 1 104 104 ILE CG2 C 13 17.471 0.15 . 1 . . . . 104 ILE CG2 . 17029 1 1345 . 1 1 104 104 ILE N N 15 120.378 0.05 . 1 . . . . 104 ILE N . 17029 1 1346 . 1 1 105 105 ALA H H 1 8.327 0.01 . 1 . . . . 105 ALA HN . 17029 1 1347 . 1 1 105 105 ALA HA H 1 4.298 0.01 . 1 . . . . 105 ALA HA . 17029 1 1348 . 1 1 105 105 ALA HB1 H 1 1.355 0.01 . 1 . . . . 105 ALA HB1 . 17029 1 1349 . 1 1 105 105 ALA HB2 H 1 1.355 0.01 . 1 . . . . 105 ALA HB1 . 17029 1 1350 . 1 1 105 105 ALA HB3 H 1 1.355 0.01 . 1 . . . . 105 ALA HB1 . 17029 1 1351 . 1 1 105 105 ALA C C 13 177.251 0.15 . 1 . . . . 105 ALA C . 17029 1 1352 . 1 1 105 105 ALA CA C 13 52.406 0.15 . 1 . . . . 105 ALA CA . 17029 1 1353 . 1 1 105 105 ALA CB C 13 19.464 0.15 . 1 . . . . 105 ALA CB . 17029 1 1354 . 1 1 105 105 ALA N N 15 127.791 0.05 . 1 . . . . 105 ALA N . 17029 1 1355 . 1 1 106 106 ASP H H 1 8.266 0.01 . 1 . . . . 106 ASP HN . 17029 1 1356 . 1 1 106 106 ASP HA H 1 4.525 0.01 . 1 . . . . 106 ASP HA . 17029 1 1357 . 1 1 106 106 ASP HB2 H 1 2.685 0.01 . 2 . . . . 106 ASP HB1 . 17029 1 1358 . 1 1 106 106 ASP HB3 H 1 2.590 0.01 . 2 . . . . 106 ASP HB2 . 17029 1 1359 . 1 1 106 106 ASP C C 13 175.153 0.15 . 1 . . . . 106 ASP C . 17029 1 1360 . 1 1 106 106 ASP CA C 13 54.483 0.15 . 1 . . . . 106 ASP CA . 17029 1 1361 . 1 1 106 106 ASP CB C 13 40.974 0.15 . 1 . . . . 106 ASP CB . 17029 1 1362 . 1 1 106 106 ASP N N 15 120.223 0.05 . 1 . . . . 106 ASP N . 17029 1 1363 . 1 1 107 107 ARG H H 1 7.784 0.01 . 1 . . . . 107 ARG HN . 17029 1 1364 . 1 1 107 107 ARG HA H 1 4.133 0.01 . 1 . . . . 107 ARG HA . 17029 1 1365 . 1 1 107 107 ARG HB2 H 1 1.814 0.01 . 2 . . . . 107 ARG HB1 . 17029 1 1366 . 1 1 107 107 ARG HB3 H 1 1.689 0.01 . 2 . . . . 107 ARG HB2 . 17029 1 1367 . 1 1 107 107 ARG HD2 H 1 3.150 0.01 . 2 . . . . 107 ARG HD1 . 17029 1 1368 . 1 1 107 107 ARG HD3 H 1 3.150 0.01 . 2 . . . . 107 ARG HD2 . 17029 1 1369 . 1 1 107 107 ARG HG2 H 1 1.546 0.01 . 2 . . . . 107 ARG HG1 . 17029 1 1370 . 1 1 107 107 ARG HG3 H 1 1.546 0.01 . 2 . . . . 107 ARG HG2 . 17029 1 1371 . 1 1 107 107 ARG CA C 13 57.321 0.15 . 1 . . . . 107 ARG CA . 17029 1 1372 . 1 1 107 107 ARG CB C 13 31.473 0.15 . 1 . . . . 107 ARG CB . 17029 1 1373 . 1 1 107 107 ARG CD C 13 43.491 0.15 . 1 . . . . 107 ARG CD . 17029 1 1374 . 1 1 107 107 ARG CG C 13 26.852 0.15 . 1 . . . . 107 ARG CG . 17029 1 1375 . 1 1 107 107 ARG N N 15 125.231 0.05 . 1 . . . . 107 ARG N . 17029 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 1076 17029 1 1 1077 17029 1 1 1078 17029 1 1 1079 17029 1 2 1256 17029 1 2 1257 17029 1 2 1258 17029 1 2 1259 17029 1 stop_ save_