data_11499 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11499 _Entry.Title ; Solution structure of RNF146 WWE domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-08 _Entry.Accession_date 2012-05-09 _Entry.Last_release_date 2012-05-09 _Entry.Original_release_date 2012-05-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Fahu He . . . . 11499 2 Yutaka Muto . . . . 11499 3 Makoto Inoue . . . . 11499 4 Takanori Kigawa . . . . 11499 5 Mikako Mikako . . . . 11499 6 Takaho Terada . . . . 11499 7 Shigeyuki Yokoyama . . . . 11499 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11499 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 467 11499 '15N chemical shifts' 112 11499 '1H chemical shifts' 730 11499 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 . . 2018-12-18 . original BMRB . 11499 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11472 'The same citation' 11499 BMRB 11500 'The same citation' 11499 BMRB 11501 'The same citation' 11499 PDB 1UJR 'NMR structure' 11499 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11499 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.febslet.2012.09.009 _Citation.PubMed_ID 23010590 _Citation.Full_citation . _Citation.Title ; Structural insight into the interaction of ADP-ribose with the PARP WWE domains. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 586 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-5793 _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 3858 _Citation.Page_last 3864 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Fahu He . . . . 11499 1 2 Kengo Tsuda . . . . 11499 1 3 Mari Takahashi . . . . 11499 1 4 Kanako Kuwasako . . . . 11499 1 5 Takano Terada . . . . 11499 1 6 Mikako Shirouzu . . . . 11499 1 7 Satoru Watanabe . . . . 11499 1 8 Takanori Kigawa . . . . 11499 1 9 Naohiro Kobayashi . . . . 11499 1 10 Peter Guntert . . . . 11499 1 11 Shigeyuki Yokoyama . . . . 11499 1 12 Yutaka Muto . . . . 11499 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 11499 1 RNF146 11499 1 'WWE domain' 11499 1 'solution structure' 11499 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11499 _Assembly.ID 1 _Assembly.Name WWE _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 WWE 1 $RNF146 A . yes native no no . . . 11499 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNF146 _Entity.Sf_category entity _Entity.Sf_framecode RNF146 _Entity.Entry_ID 11499 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNF146 _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 ; PSSGSSGFLDKPTLLSPEEL KAASRGNGEYAWYYEGRNGW WQYDERTSRELEDAFSKGKK NTEMLIAGFLYVADLENMVQ YRRNEHGRRRKIKRDIIDIP KKGVSGPSSG ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'WWE domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . PRO . 11499 1 2 . SER . 11499 1 3 . SER . 11499 1 4 . GLY . 11499 1 5 . SER . 11499 1 6 . SER . 11499 1 7 . GLY . 11499 1 8 . PHE . 11499 1 9 . LEU . 11499 1 10 . ASP . 11499 1 11 . LYS . 11499 1 12 . PRO . 11499 1 13 . THR . 11499 1 14 . LEU . 11499 1 15 . LEU . 11499 1 16 . SER . 11499 1 17 . PRO . 11499 1 18 . GLU . 11499 1 19 . GLU . 11499 1 20 . LEU . 11499 1 21 . LYS . 11499 1 22 . ALA . 11499 1 23 . ALA . 11499 1 24 . SER . 11499 1 25 . ARG . 11499 1 26 . GLY . 11499 1 27 . ASN . 11499 1 28 . GLY . 11499 1 29 . GLU . 11499 1 30 . TYR . 11499 1 31 . ALA . 11499 1 32 . TRP . 11499 1 33 . TYR . 11499 1 34 . TYR . 11499 1 35 . GLU . 11499 1 36 . GLY . 11499 1 37 . ARG . 11499 1 38 . ASN . 11499 1 39 . GLY . 11499 1 40 . TRP . 11499 1 41 . TRP . 11499 1 42 . GLN . 11499 1 43 . TYR . 11499 1 44 . ASP . 11499 1 45 . GLU . 11499 1 46 . ARG . 11499 1 47 . THR . 11499 1 48 . SER . 11499 1 49 . ARG . 11499 1 50 . GLU . 11499 1 51 . LEU . 11499 1 52 . GLU . 11499 1 53 . ASP . 11499 1 54 . ALA . 11499 1 55 . PHE . 11499 1 56 . SER . 11499 1 57 . LYS . 11499 1 58 . GLY . 11499 1 59 . LYS . 11499 1 60 . LYS . 11499 1 61 . ASN . 11499 1 62 . THR . 11499 1 63 . GLU . 11499 1 64 . MET . 11499 1 65 . LEU . 11499 1 66 . ILE . 11499 1 67 . ALA . 11499 1 68 . GLY . 11499 1 69 . PHE . 11499 1 70 . LEU . 11499 1 71 . TYR . 11499 1 72 . VAL . 11499 1 73 . ALA . 11499 1 74 . ASP . 11499 1 75 . LEU . 11499 1 76 . GLU . 11499 1 77 . ASN . 11499 1 78 . MET . 11499 1 79 . VAL . 11499 1 80 . GLN . 11499 1 81 . TYR . 11499 1 82 . ARG . 11499 1 83 . ARG . 11499 1 84 . ASN . 11499 1 85 . GLU . 11499 1 86 . HIS . 11499 1 87 . GLY . 11499 1 88 . ARG . 11499 1 89 . ARG . 11499 1 90 . ARG . 11499 1 91 . LYS . 11499 1 92 . ILE . 11499 1 93 . LYS . 11499 1 94 . ARG . 11499 1 95 . ASP . 11499 1 96 . ILE . 11499 1 97 . ILE . 11499 1 98 . ASP . 11499 1 99 . ILE . 11499 1 100 . PRO . 11499 1 101 . LYS . 11499 1 102 . LYS . 11499 1 103 . GLY . 11499 1 104 . VAL . 11499 1 105 . SER . 11499 1 106 . GLY . 11499 1 107 . PRO . 11499 1 108 . SER . 11499 1 109 . SER . 11499 1 110 . GLY . 11499 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 . PRO 1 1 11499 1 . SER 2 2 11499 1 . SER 3 3 11499 1 . GLY 4 4 11499 1 . SER 5 5 11499 1 . SER 6 6 11499 1 . GLY 7 7 11499 1 . PHE 8 8 11499 1 . LEU 9 9 11499 1 . ASP 10 10 11499 1 . LYS 11 11 11499 1 . PRO 12 12 11499 1 . THR 13 13 11499 1 . LEU 14 14 11499 1 . LEU 15 15 11499 1 . SER 16 16 11499 1 . PRO 17 17 11499 1 . GLU 18 18 11499 1 . GLU 19 19 11499 1 . LEU 20 20 11499 1 . LYS 21 21 11499 1 . ALA 22 22 11499 1 . ALA 23 23 11499 1 . SER 24 24 11499 1 . ARG 25 25 11499 1 . GLY 26 26 11499 1 . ASN 27 27 11499 1 . GLY 28 28 11499 1 . GLU 29 29 11499 1 . TYR 30 30 11499 1 . ALA 31 31 11499 1 . TRP 32 32 11499 1 . TYR 33 33 11499 1 . TYR 34 34 11499 1 . GLU 35 35 11499 1 . GLY 36 36 11499 1 . ARG 37 37 11499 1 . ASN 38 38 11499 1 . GLY 39 39 11499 1 . TRP 40 40 11499 1 . TRP 41 41 11499 1 . GLN 42 42 11499 1 . TYR 43 43 11499 1 . ASP 44 44 11499 1 . GLU 45 45 11499 1 . ARG 46 46 11499 1 . THR 47 47 11499 1 . SER 48 48 11499 1 . ARG 49 49 11499 1 . GLU 50 50 11499 1 . LEU 51 51 11499 1 . GLU 52 52 11499 1 . ASP 53 53 11499 1 . ALA 54 54 11499 1 . PHE 55 55 11499 1 . SER 56 56 11499 1 . LYS 57 57 11499 1 . GLY 58 58 11499 1 . LYS 59 59 11499 1 . LYS 60 60 11499 1 . ASN 61 61 11499 1 . THR 62 62 11499 1 . GLU 63 63 11499 1 . MET 64 64 11499 1 . LEU 65 65 11499 1 . ILE 66 66 11499 1 . ALA 67 67 11499 1 . GLY 68 68 11499 1 . PHE 69 69 11499 1 . LEU 70 70 11499 1 . TYR 71 71 11499 1 . VAL 72 72 11499 1 . ALA 73 73 11499 1 . ASP 74 74 11499 1 . LEU 75 75 11499 1 . GLU 76 76 11499 1 . ASN 77 77 11499 1 . MET 78 78 11499 1 . VAL 79 79 11499 1 . GLN 80 80 11499 1 . TYR 81 81 11499 1 . ARG 82 82 11499 1 . ARG 83 83 11499 1 . ASN 84 84 11499 1 . GLU 85 85 11499 1 . HIS 86 86 11499 1 . GLY 87 87 11499 1 . ARG 88 88 11499 1 . ARG 89 89 11499 1 . ARG 90 90 11499 1 . LYS 91 91 11499 1 . ILE 92 92 11499 1 . LYS 93 93 11499 1 . ARG 94 94 11499 1 . ASP 95 95 11499 1 . ILE 96 96 11499 1 . ILE 97 97 11499 1 . ASP 98 98 11499 1 . ILE 99 99 11499 1 . PRO 100 100 11499 1 . LYS 101 101 11499 1 . LYS 102 102 11499 1 . GLY 103 103 11499 1 . VAL 104 104 11499 1 . SER 105 105 11499 1 . GLY 106 106 11499 1 . PRO 107 107 11499 1 . SER 108 108 11499 1 . SER 109 109 11499 1 . GLY 110 110 11499 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 11499 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNF146 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 11499 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 11499 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNF146 . 'recombinant technology' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . P-000001 . . . 11499 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11499 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WWE '[U-99% 13C; U-99% 15N]' . . 1 $RNF146 . protein 1.0 . . mM . . . . 11499 1 2 H2O . . . . . . solvent 90 . . % . . . . 11499 1 3 D2O . . . . . . solvent 10 . . % . . . . 11499 1 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 11499 _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' 120 . mM 11499 1 pH 7.0 . pH 11499 1 pressure 1 . atm 11499 1 temperature 298 . K 11499 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11499 _Software.ID 1 _Software.Type . _Software.Name xwinnmr _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11499 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11499 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11499 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11499 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11499 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11499 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11499 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11499 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11499 _Software.ID 4 _Software.Type . _Software.Name Kujira _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'N. Kobayashi' . . 11499 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11499 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11499 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11499 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11499 5 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11499 _Software.ID 6 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 11499 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11499 6 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 11499 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 11499 _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 Avance . 800 . . . 11499 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 11499 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11499 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11499 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 11499 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 11499 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11499 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11499 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11499 _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 '3D 1H-15N NOESY' . . . 11499 1 2 '3D 1H-13C NOESY' . . . 11499 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER H H 1 8.298 0.030 . 1 . . . . . 3 SER H . 11499 1 2 . 1 1 3 3 SER C C 13 174.933 0.300 . 1 . . . . . 3 SER C . 11499 1 3 . 1 1 3 3 SER N N 15 117.783 0.300 . 1 . . . . . 3 SER N . 11499 1 4 . 1 1 4 4 GLY H H 1 8.454 0.030 . 1 . . . . . 4 GLY H . 11499 1 5 . 1 1 4 4 GLY HA2 H 1 3.981 0.030 . 2 . . . . . 4 GLY HA2 . 11499 1 6 . 1 1 4 4 GLY HA3 H 1 3.981 0.030 . 2 . . . . . 4 GLY HA3 . 11499 1 7 . 1 1 4 4 GLY C C 13 174.387 0.300 . 1 . . . . . 4 GLY C . 11499 1 8 . 1 1 4 4 GLY CA C 13 45.445 0.300 . 1 . . . . . 4 GLY CA . 11499 1 9 . 1 1 4 4 GLY N N 15 110.929 0.300 . 1 . . . . . 4 GLY N . 11499 1 10 . 1 1 5 5 SER H H 1 8.277 0.030 . 1 . . . . . 5 SER H . 11499 1 11 . 1 1 5 5 SER HA H 1 4.519 0.030 . 1 . . . . . 5 SER HA . 11499 1 12 . 1 1 5 5 SER HB2 H 1 3.896 0.030 . 2 . . . . . 5 SER HB2 . 11499 1 13 . 1 1 5 5 SER HB3 H 1 3.896 0.030 . 2 . . . . . 5 SER HB3 . 11499 1 14 . 1 1 5 5 SER C C 13 174.855 0.300 . 1 . . . . . 5 SER C . 11499 1 15 . 1 1 5 5 SER CA C 13 58.374 0.300 . 1 . . . . . 5 SER CA . 11499 1 16 . 1 1 5 5 SER CB C 13 63.953 0.300 . 1 . . . . . 5 SER CB . 11499 1 17 . 1 1 5 5 SER N N 15 115.653 0.300 . 1 . . . . . 5 SER N . 11499 1 18 . 1 1 6 6 SER H H 1 8.435 0.030 . 1 . . . . . 6 SER H . 11499 1 19 . 1 1 6 6 SER HA H 1 4.486 0.030 . 1 . . . . . 6 SER HA . 11499 1 20 . 1 1 6 6 SER HB2 H 1 3.879 0.030 . 2 . . . . . 6 SER HB2 . 11499 1 21 . 1 1 6 6 SER HB3 H 1 3.879 0.030 . 2 . . . . . 6 SER HB3 . 11499 1 22 . 1 1 6 6 SER C C 13 173.918 0.300 . 1 . . . . . 6 SER C . 11499 1 23 . 1 1 6 6 SER CA C 13 58.410 0.300 . 1 . . . . . 6 SER CA . 11499 1 24 . 1 1 6 6 SER CB C 13 64.087 0.300 . 1 . . . . . 6 SER CB . 11499 1 25 . 1 1 6 6 SER N N 15 117.783 0.300 . 1 . . . . . 6 SER N . 11499 1 26 . 1 1 7 7 GLY H H 1 8.357 0.030 . 1 . . . . . 7 GLY H . 11499 1 27 . 1 1 7 7 GLY HA2 H 1 3.884 0.030 . 2 . . . . . 7 GLY HA2 . 11499 1 28 . 1 1 7 7 GLY HA3 H 1 3.884 0.030 . 2 . . . . . 7 GLY HA3 . 11499 1 29 . 1 1 7 7 GLY C C 13 173.866 0.300 . 1 . . . . . 7 GLY C . 11499 1 30 . 1 1 7 7 GLY CA C 13 45.281 0.300 . 1 . . . . . 7 GLY CA . 11499 1 31 . 1 1 7 7 GLY N N 15 110.533 0.300 . 1 . . . . . 7 GLY N . 11499 1 32 . 1 1 8 8 PHE H H 1 8.052 0.030 . 1 . . . . . 8 PHE H . 11499 1 33 . 1 1 8 8 PHE HA H 1 4.590 0.030 . 1 . . . . . 8 PHE HA . 11499 1 34 . 1 1 8 8 PHE HB2 H 1 3.000 0.030 . 2 . . . . . 8 PHE HB2 . 11499 1 35 . 1 1 8 8 PHE HB3 H 1 3.117 0.030 . 2 . . . . . 8 PHE HB3 . 11499 1 36 . 1 1 8 8 PHE HD1 H 1 7.213 0.030 . 3 . . . . . 8 PHE HD1 . 11499 1 37 . 1 1 8 8 PHE HD2 H 1 7.213 0.030 . 3 . . . . . 8 PHE HD2 . 11499 1 38 . 1 1 8 8 PHE C C 13 175.674 0.300 . 1 . . . . . 8 PHE C . 11499 1 39 . 1 1 8 8 PHE CA C 13 57.850 0.300 . 1 . . . . . 8 PHE CA . 11499 1 40 . 1 1 8 8 PHE CB C 13 39.538 0.300 . 1 . . . . . 8 PHE CB . 11499 1 41 . 1 1 8 8 PHE CD1 C 13 131.948 0.300 . 3 . . . . . 8 PHE CD1 . 11499 1 42 . 1 1 8 8 PHE CD2 C 13 131.948 0.300 . 3 . . . . . 8 PHE CD2 . 11499 1 43 . 1 1 8 8 PHE N N 15 119.867 0.300 . 1 . . . . . 8 PHE N . 11499 1 44 . 1 1 9 9 LEU H H 1 8.162 0.030 . 1 . . . . . 9 LEU H . 11499 1 45 . 1 1 9 9 LEU HA H 1 4.296 0.030 . 1 . . . . . 9 LEU HA . 11499 1 46 . 1 1 9 9 LEU HB2 H 1 1.520 0.030 . 2 . . . . . 9 LEU HB2 . 11499 1 47 . 1 1 9 9 LEU HB3 H 1 1.574 0.030 . 2 . . . . . 9 LEU HB3 . 11499 1 48 . 1 1 9 9 LEU HD11 H 1 0.882 0.030 . 2 . . . . . 9 LEU HD1 . 11499 1 49 . 1 1 9 9 LEU HD12 H 1 0.882 0.030 . 2 . . . . . 9 LEU HD1 . 11499 1 50 . 1 1 9 9 LEU HD13 H 1 0.882 0.030 . 2 . . . . . 9 LEU HD1 . 11499 1 51 . 1 1 9 9 LEU HD21 H 1 0.811 0.030 . 2 . . . . . 9 LEU HD2 . 11499 1 52 . 1 1 9 9 LEU HD22 H 1 0.811 0.030 . 2 . . . . . 9 LEU HD2 . 11499 1 53 . 1 1 9 9 LEU HD23 H 1 0.811 0.030 . 2 . . . . . 9 LEU HD2 . 11499 1 54 . 1 1 9 9 LEU HG H 1 1.499 0.030 . 1 . . . . . 9 LEU HG . 11499 1 55 . 1 1 9 9 LEU C C 13 176.623 0.300 . 1 . . . . . 9 LEU C . 11499 1 56 . 1 1 9 9 LEU CA C 13 55.041 0.300 . 1 . . . . . 9 LEU CA . 11499 1 57 . 1 1 9 9 LEU CB C 13 42.443 0.300 . 1 . . . . . 9 LEU CB . 11499 1 58 . 1 1 9 9 LEU CD1 C 13 24.961 0.300 . 2 . . . . . 9 LEU CD1 . 11499 1 59 . 1 1 9 9 LEU CD2 C 13 23.402 0.300 . 2 . . . . . 9 LEU CD2 . 11499 1 60 . 1 1 9 9 LEU CG C 13 26.888 0.300 . 1 . . . . . 9 LEU CG . 11499 1 61 . 1 1 9 9 LEU N N 15 123.393 0.300 . 1 . . . . . 9 LEU N . 11499 1 62 . 1 1 10 10 ASP H H 1 8.171 0.030 . 1 . . . . . 10 ASP H . 11499 1 63 . 1 1 10 10 ASP HA H 1 4.519 0.030 . 1 . . . . . 10 ASP HA . 11499 1 64 . 1 1 10 10 ASP HB2 H 1 2.846 0.030 . 2 . . . . . 10 ASP HB2 . 11499 1 65 . 1 1 10 10 ASP HB3 H 1 2.757 0.030 . 2 . . . . . 10 ASP HB3 . 11499 1 66 . 1 1 10 10 ASP C C 13 175.622 0.300 . 1 . . . . . 10 ASP C . 11499 1 67 . 1 1 10 10 ASP CA C 13 54.281 0.300 . 1 . . . . . 10 ASP CA . 11499 1 68 . 1 1 10 10 ASP CB C 13 40.693 0.300 . 1 . . . . . 10 ASP CB . 11499 1 69 . 1 1 10 10 ASP N N 15 121.050 0.300 . 1 . . . . . 10 ASP N . 11499 1 70 . 1 1 11 11 LYS H H 1 8.035 0.030 . 1 . . . . . 11 LYS H . 11499 1 71 . 1 1 11 11 LYS HA H 1 4.592 0.030 . 1 . . . . . 11 LYS HA . 11499 1 72 . 1 1 11 11 LYS HB2 H 1 1.802 0.030 . 2 . . . . . 11 LYS HB2 . 11499 1 73 . 1 1 11 11 LYS HB3 H 1 1.692 0.030 . 2 . . . . . 11 LYS HB3 . 11499 1 74 . 1 1 11 11 LYS HD2 H 1 1.669 0.030 . 2 . . . . . 11 LYS HD2 . 11499 1 75 . 1 1 11 11 LYS HD3 H 1 1.669 0.030 . 2 . . . . . 11 LYS HD3 . 11499 1 76 . 1 1 11 11 LYS HE2 H 1 2.969 0.030 . 2 . . . . . 11 LYS HE2 . 11499 1 77 . 1 1 11 11 LYS HE3 H 1 2.969 0.030 . 2 . . . . . 11 LYS HE3 . 11499 1 78 . 1 1 11 11 LYS HG2 H 1 1.412 0.030 . 2 . . . . . 11 LYS HG2 . 11499 1 79 . 1 1 11 11 LYS HG3 H 1 1.412 0.030 . 2 . . . . . 11 LYS HG3 . 11499 1 80 . 1 1 11 11 LYS C C 13 174.285 0.300 . 1 . . . . . 11 LYS C . 11499 1 81 . 1 1 11 11 LYS CA C 13 54.108 0.300 . 1 . . . . . 11 LYS CA . 11499 1 82 . 1 1 11 11 LYS CB C 13 32.727 0.300 . 1 . . . . . 11 LYS CB . 11499 1 83 . 1 1 11 11 LYS CD C 13 29.041 0.300 . 1 . . . . . 11 LYS CD . 11499 1 84 . 1 1 11 11 LYS CE C 13 42.183 0.300 . 1 . . . . . 11 LYS CE . 11499 1 85 . 1 1 11 11 LYS CG C 13 24.716 0.300 . 1 . . . . . 11 LYS CG . 11499 1 86 . 1 1 11 11 LYS N N 15 121.790 0.300 . 1 . . . . . 11 LYS N . 11499 1 87 . 1 1 12 12 PRO HA H 1 4.446 0.030 . 1 . . . . . 12 PRO HA . 11499 1 88 . 1 1 12 12 PRO HB2 H 1 2.267 0.030 . 2 . . . . . 12 PRO HB2 . 11499 1 89 . 1 1 12 12 PRO HB3 H 1 1.870 0.030 . 2 . . . . . 12 PRO HB3 . 11499 1 90 . 1 1 12 12 PRO HD2 H 1 3.748 0.030 . 2 . . . . . 12 PRO HD2 . 11499 1 91 . 1 1 12 12 PRO HD3 H 1 3.628 0.030 . 2 . . . . . 12 PRO HD3 . 11499 1 92 . 1 1 12 12 PRO HG2 H 1 1.985 0.030 . 2 . . . . . 12 PRO HG2 . 11499 1 93 . 1 1 12 12 PRO HG3 H 1 1.985 0.030 . 2 . . . . . 12 PRO HG3 . 11499 1 94 . 1 1 12 12 PRO C C 13 176.976 0.300 . 1 . . . . . 12 PRO C . 11499 1 95 . 1 1 12 12 PRO CA C 13 63.232 0.300 . 1 . . . . . 12 PRO CA . 11499 1 96 . 1 1 12 12 PRO CB C 13 32.171 0.300 . 1 . . . . . 12 PRO CB . 11499 1 97 . 1 1 12 12 PRO CD C 13 50.632 0.300 . 1 . . . . . 12 PRO CD . 11499 1 98 . 1 1 12 12 PRO CG C 13 27.124 0.300 . 1 . . . . . 12 PRO CG . 11499 1 99 . 1 1 13 13 THR H H 1 8.234 0.030 . 1 . . . . . 13 THR H . 11499 1 100 . 1 1 13 13 THR HA H 1 4.257 0.030 . 1 . . . . . 13 THR HA . 11499 1 101 . 1 1 13 13 THR HB H 1 4.134 0.030 . 1 . . . . . 13 THR HB . 11499 1 102 . 1 1 13 13 THR HG21 H 1 1.194 0.030 . 1 . . . . . 13 THR HG2 . 11499 1 103 . 1 1 13 13 THR HG22 H 1 1.194 0.030 . 1 . . . . . 13 THR HG2 . 11499 1 104 . 1 1 13 13 THR HG23 H 1 1.194 0.030 . 1 . . . . . 13 THR HG2 . 11499 1 105 . 1 1 13 13 THR C C 13 174.243 0.300 . 1 . . . . . 13 THR C . 11499 1 106 . 1 1 13 13 THR CA C 13 62.044 0.300 . 1 . . . . . 13 THR CA . 11499 1 107 . 1 1 13 13 THR CB C 13 69.785 0.300 . 1 . . . . . 13 THR CB . 11499 1 108 . 1 1 13 13 THR CG2 C 13 21.681 0.300 . 1 . . . . . 13 THR CG2 . 11499 1 109 . 1 1 13 13 THR N N 15 115.226 0.300 . 1 . . . . . 13 THR N . 11499 1 110 . 1 1 14 14 LEU H H 1 8.245 0.030 . 1 . . . . . 14 LEU H . 11499 1 111 . 1 1 14 14 LEU HA H 1 4.381 0.030 . 1 . . . . . 14 LEU HA . 11499 1 112 . 1 1 14 14 LEU HB2 H 1 1.585 0.030 . 2 . . . . . 14 LEU HB2 . 11499 1 113 . 1 1 14 14 LEU HB3 H 1 1.585 0.030 . 2 . . . . . 14 LEU HB3 . 11499 1 114 . 1 1 14 14 LEU HD11 H 1 0.869 0.030 . 2 . . . . . 14 LEU HD1 . 11499 1 115 . 1 1 14 14 LEU HD12 H 1 0.869 0.030 . 2 . . . . . 14 LEU HD1 . 11499 1 116 . 1 1 14 14 LEU HD13 H 1 0.869 0.030 . 2 . . . . . 14 LEU HD1 . 11499 1 117 . 1 1 14 14 LEU HD21 H 1 0.827 0.030 . 2 . . . . . 14 LEU HD2 . 11499 1 118 . 1 1 14 14 LEU HD22 H 1 0.827 0.030 . 2 . . . . . 14 LEU HD2 . 11499 1 119 . 1 1 14 14 LEU HD23 H 1 0.827 0.030 . 2 . . . . . 14 LEU HD2 . 11499 1 120 . 1 1 14 14 LEU HG H 1 1.575 0.030 . 1 . . . . . 14 LEU HG . 11499 1 121 . 1 1 14 14 LEU C C 13 176.792 0.300 . 1 . . . . . 14 LEU C . 11499 1 122 . 1 1 14 14 LEU CA C 13 54.974 0.300 . 1 . . . . . 14 LEU CA . 11499 1 123 . 1 1 14 14 LEU CB C 13 42.416 0.300 . 1 . . . . . 14 LEU CB . 11499 1 124 . 1 1 14 14 LEU CD1 C 13 24.911 0.300 . 2 . . . . . 14 LEU CD1 . 11499 1 125 . 1 1 14 14 LEU CD2 C 13 23.543 0.300 . 2 . . . . . 14 LEU CD2 . 11499 1 126 . 1 1 14 14 LEU CG C 13 26.948 0.300 . 1 . . . . . 14 LEU CG . 11499 1 127 . 1 1 14 14 LEU N N 15 125.262 0.300 . 1 . . . . . 14 LEU N . 11499 1 128 . 1 1 15 15 LEU H H 1 8.161 0.030 . 1 . . . . . 15 LEU H . 11499 1 129 . 1 1 15 15 LEU HA H 1 4.423 0.030 . 1 . . . . . 15 LEU HA . 11499 1 130 . 1 1 15 15 LEU HB2 H 1 1.603 0.030 . 2 . . . . . 15 LEU HB2 . 11499 1 131 . 1 1 15 15 LEU HB3 H 1 1.491 0.030 . 2 . . . . . 15 LEU HB3 . 11499 1 132 . 1 1 15 15 LEU HD11 H 1 0.829 0.030 . 2 . . . . . 15 LEU HD1 . 11499 1 133 . 1 1 15 15 LEU HD12 H 1 0.829 0.030 . 2 . . . . . 15 LEU HD1 . 11499 1 134 . 1 1 15 15 LEU HD13 H 1 0.829 0.030 . 2 . . . . . 15 LEU HD1 . 11499 1 135 . 1 1 15 15 LEU HD21 H 1 0.830 0.030 . 2 . . . . . 15 LEU HD2 . 11499 1 136 . 1 1 15 15 LEU HD22 H 1 0.830 0.030 . 2 . . . . . 15 LEU HD2 . 11499 1 137 . 1 1 15 15 LEU HD23 H 1 0.830 0.030 . 2 . . . . . 15 LEU HD2 . 11499 1 138 . 1 1 15 15 LEU HG H 1 1.613 0.030 . 1 . . . . . 15 LEU HG . 11499 1 139 . 1 1 15 15 LEU C C 13 176.883 0.300 . 1 . . . . . 15 LEU C . 11499 1 140 . 1 1 15 15 LEU CA C 13 54.743 0.300 . 1 . . . . . 15 LEU CA . 11499 1 141 . 1 1 15 15 LEU CB C 13 42.823 0.300 . 1 . . . . . 15 LEU CB . 11499 1 142 . 1 1 15 15 LEU CD1 C 13 24.296 0.300 . 2 . . . . . 15 LEU CD1 . 11499 1 143 . 1 1 15 15 LEU CD2 C 13 23.513 0.300 . 2 . . . . . 15 LEU CD2 . 11499 1 144 . 1 1 15 15 LEU CG C 13 27.144 0.300 . 1 . . . . . 15 LEU CG . 11499 1 145 . 1 1 15 15 LEU N N 15 123.591 0.300 . 1 . . . . . 15 LEU N . 11499 1 146 . 1 1 16 16 SER H H 1 8.665 0.030 . 1 . . . . . 16 SER H . 11499 1 147 . 1 1 16 16 SER HA H 1 4.720 0.030 . 1 . . . . . 16 SER HA . 11499 1 148 . 1 1 16 16 SER HB2 H 1 3.950 0.030 . 2 . . . . . 16 SER HB2 . 11499 1 149 . 1 1 16 16 SER HB3 H 1 4.141 0.030 . 2 . . . . . 16 SER HB3 . 11499 1 150 . 1 1 16 16 SER C C 13 173.021 0.300 . 1 . . . . . 16 SER C . 11499 1 151 . 1 1 16 16 SER CA C 13 56.517 0.300 . 1 . . . . . 16 SER CA . 11499 1 152 . 1 1 16 16 SER CB C 13 63.299 0.300 . 1 . . . . . 16 SER CB . 11499 1 153 . 1 1 16 16 SER N N 15 118.884 0.300 . 1 . . . . . 16 SER N . 11499 1 154 . 1 1 17 17 PRO HA H 1 4.292 0.030 . 1 . . . . . 17 PRO HA . 11499 1 155 . 1 1 17 17 PRO HB2 H 1 2.349 0.030 . 2 . . . . . 17 PRO HB2 . 11499 1 156 . 1 1 17 17 PRO HB3 H 1 1.937 0.030 . 2 . . . . . 17 PRO HB3 . 11499 1 157 . 1 1 17 17 PRO HD2 H 1 3.870 0.030 . 2 . . . . . 17 PRO HD2 . 11499 1 158 . 1 1 17 17 PRO HD3 H 1 3.838 0.030 . 2 . . . . . 17 PRO HD3 . 11499 1 159 . 1 1 17 17 PRO HG2 H 1 2.024 0.030 . 2 . . . . . 17 PRO HG2 . 11499 1 160 . 1 1 17 17 PRO HG3 H 1 2.140 0.030 . 2 . . . . . 17 PRO HG3 . 11499 1 161 . 1 1 17 17 PRO C C 13 178.620 0.300 . 1 . . . . . 17 PRO C . 11499 1 162 . 1 1 17 17 PRO CA C 13 64.992 0.300 . 1 . . . . . 17 PRO CA . 11499 1 163 . 1 1 17 17 PRO CB C 13 31.922 0.300 . 1 . . . . . 17 PRO CB . 11499 1 164 . 1 1 17 17 PRO CD C 13 50.463 0.300 . 1 . . . . . 17 PRO CD . 11499 1 165 . 1 1 17 17 PRO CG C 13 27.799 0.300 . 1 . . . . . 17 PRO CG . 11499 1 166 . 1 1 18 18 GLU H H 1 8.573 0.030 . 1 . . . . . 18 GLU H . 11499 1 167 . 1 1 18 18 GLU HA H 1 4.079 0.030 . 1 . . . . . 18 GLU HA . 11499 1 168 . 1 1 18 18 GLU HB2 H 1 1.983 0.030 . 2 . . . . . 18 GLU HB2 . 11499 1 169 . 1 1 18 18 GLU HB3 H 1 1.983 0.030 . 2 . . . . . 18 GLU HB3 . 11499 1 170 . 1 1 18 18 GLU HG2 H 1 2.274 0.030 . 2 . . . . . 18 GLU HG2 . 11499 1 171 . 1 1 18 18 GLU HG3 H 1 2.331 0.030 . 2 . . . . . 18 GLU HG3 . 11499 1 172 . 1 1 18 18 GLU C C 13 178.353 0.300 . 1 . . . . . 18 GLU C . 11499 1 173 . 1 1 18 18 GLU CA C 13 58.764 0.300 . 1 . . . . . 18 GLU CA . 11499 1 174 . 1 1 18 18 GLU CB C 13 29.470 0.300 . 1 . . . . . 18 GLU CB . 11499 1 175 . 1 1 18 18 GLU CG C 13 36.588 0.300 . 1 . . . . . 18 GLU CG . 11499 1 176 . 1 1 18 18 GLU N N 15 118.279 0.300 . 1 . . . . . 18 GLU N . 11499 1 177 . 1 1 19 19 GLU H H 1 8.042 0.030 . 1 . . . . . 19 GLU H . 11499 1 178 . 1 1 19 19 GLU HA H 1 4.132 0.030 . 1 . . . . . 19 GLU HA . 11499 1 179 . 1 1 19 19 GLU HB2 H 1 2.152 0.030 . 2 . . . . . 19 GLU HB2 . 11499 1 180 . 1 1 19 19 GLU HB3 H 1 2.029 0.030 . 2 . . . . . 19 GLU HB3 . 11499 1 181 . 1 1 19 19 GLU HG2 H 1 2.290 0.030 . 2 . . . . . 19 GLU HG2 . 11499 1 182 . 1 1 19 19 GLU HG3 H 1 2.234 0.030 . 2 . . . . . 19 GLU HG3 . 11499 1 183 . 1 1 19 19 GLU C C 13 178.223 0.300 . 1 . . . . . 19 GLU C . 11499 1 184 . 1 1 19 19 GLU CA C 13 57.972 0.300 . 1 . . . . . 19 GLU CA . 11499 1 185 . 1 1 19 19 GLU CB C 13 30.367 0.300 . 1 . . . . . 19 GLU CB . 11499 1 186 . 1 1 19 19 GLU CG C 13 36.965 0.300 . 1 . . . . . 19 GLU CG . 11499 1 187 . 1 1 19 19 GLU N N 15 121.307 0.300 . 1 . . . . . 19 GLU N . 11499 1 188 . 1 1 20 20 LEU H H 1 8.233 0.030 . 1 . . . . . 20 LEU H . 11499 1 189 . 1 1 20 20 LEU HA H 1 4.148 0.030 . 1 . . . . . 20 LEU HA . 11499 1 190 . 1 1 20 20 LEU HB2 H 1 1.691 0.030 . 2 . . . . . 20 LEU HB2 . 11499 1 191 . 1 1 20 20 LEU HB3 H 1 1.574 0.030 . 2 . . . . . 20 LEU HB3 . 11499 1 192 . 1 1 20 20 LEU HD11 H 1 0.859 0.030 . 2 . . . . . 20 LEU HD1 . 11499 1 193 . 1 1 20 20 LEU HD12 H 1 0.859 0.030 . 2 . . . . . 20 LEU HD1 . 11499 1 194 . 1 1 20 20 LEU HD13 H 1 0.859 0.030 . 2 . . . . . 20 LEU HD1 . 11499 1 195 . 1 1 20 20 LEU HD21 H 1 0.854 0.030 . 2 . . . . . 20 LEU HD2 . 11499 1 196 . 1 1 20 20 LEU HD22 H 1 0.854 0.030 . 2 . . . . . 20 LEU HD2 . 11499 1 197 . 1 1 20 20 LEU HD23 H 1 0.854 0.030 . 2 . . . . . 20 LEU HD2 . 11499 1 198 . 1 1 20 20 LEU HG H 1 1.584 0.030 . 1 . . . . . 20 LEU HG . 11499 1 199 . 1 1 20 20 LEU C C 13 178.587 0.300 . 1 . . . . . 20 LEU C . 11499 1 200 . 1 1 20 20 LEU CA C 13 56.652 0.300 . 1 . . . . . 20 LEU CA . 11499 1 201 . 1 1 20 20 LEU CB C 13 42.017 0.300 . 1 . . . . . 20 LEU CB . 11499 1 202 . 1 1 20 20 LEU CD1 C 13 25.222 0.300 . 2 . . . . . 20 LEU CD1 . 11499 1 203 . 1 1 20 20 LEU CD2 C 13 23.846 0.300 . 2 . . . . . 20 LEU CD2 . 11499 1 204 . 1 1 20 20 LEU CG C 13 26.931 0.300 . 1 . . . . . 20 LEU CG . 11499 1 205 . 1 1 20 20 LEU N N 15 121.951 0.300 . 1 . . . . . 20 LEU N . 11499 1 206 . 1 1 21 21 LYS H H 1 7.952 0.030 . 1 . . . . . 21 LYS H . 11499 1 207 . 1 1 21 21 LYS HA H 1 4.152 0.030 . 1 . . . . . 21 LYS HA . 11499 1 208 . 1 1 21 21 LYS HB2 H 1 1.825 0.030 . 2 . . . . . 21 LYS HB2 . 11499 1 209 . 1 1 21 21 LYS HB3 H 1 1.825 0.030 . 2 . . . . . 21 LYS HB3 . 11499 1 210 . 1 1 21 21 LYS HD2 H 1 1.409 0.030 . 2 . . . . . 21 LYS HD2 . 11499 1 211 . 1 1 21 21 LYS HD3 H 1 1.484 0.030 . 2 . . . . . 21 LYS HD3 . 11499 1 212 . 1 1 21 21 LYS HE2 H 1 2.985 0.030 . 2 . . . . . 21 LYS HE2 . 11499 1 213 . 1 1 21 21 LYS HE3 H 1 2.985 0.030 . 2 . . . . . 21 LYS HE3 . 11499 1 214 . 1 1 21 21 LYS HG2 H 1 1.662 0.030 . 2 . . . . . 21 LYS HG2 . 11499 1 215 . 1 1 21 21 LYS HG3 H 1 1.662 0.030 . 2 . . . . . 21 LYS HG3 . 11499 1 216 . 1 1 21 21 LYS C C 13 177.546 0.300 . 1 . . . . . 21 LYS C . 11499 1 217 . 1 1 21 21 LYS CA C 13 57.617 0.300 . 1 . . . . . 21 LYS CA . 11499 1 218 . 1 1 21 21 LYS CB C 13 32.634 0.300 . 1 . . . . . 21 LYS CB . 11499 1 219 . 1 1 21 21 LYS CD C 13 24.886 0.300 . 1 . . . . . 21 LYS CD . 11499 1 220 . 1 1 21 21 LYS CE C 13 42.163 0.300 . 1 . . . . . 21 LYS CE . 11499 1 221 . 1 1 21 21 LYS CG C 13 29.215 0.300 . 1 . . . . . 21 LYS CG . 11499 1 222 . 1 1 21 21 LYS N N 15 120.578 0.300 . 1 . . . . . 21 LYS N . 11499 1 223 . 1 1 22 22 ALA H H 1 7.924 0.030 . 1 . . . . . 22 ALA H . 11499 1 224 . 1 1 22 22 ALA HA H 1 4.209 0.030 . 1 . . . . . 22 ALA HA . 11499 1 225 . 1 1 22 22 ALA HB1 H 1 1.427 0.030 . 1 . . . . . 22 ALA HB . 11499 1 226 . 1 1 22 22 ALA HB2 H 1 1.427 0.030 . 1 . . . . . 22 ALA HB . 11499 1 227 . 1 1 22 22 ALA HB3 H 1 1.427 0.030 . 1 . . . . . 22 ALA HB . 11499 1 228 . 1 1 22 22 ALA C C 13 178.301 0.300 . 1 . . . . . 22 ALA C . 11499 1 229 . 1 1 22 22 ALA CA C 13 53.400 0.300 . 1 . . . . . 22 ALA CA . 11499 1 230 . 1 1 22 22 ALA CB C 13 18.866 0.300 . 1 . . . . . 22 ALA CB . 11499 1 231 . 1 1 22 22 ALA N N 15 123.054 0.300 . 1 . . . . . 22 ALA N . 11499 1 232 . 1 1 23 23 ALA H H 1 8.000 0.030 . 1 . . . . . 23 ALA H . 11499 1 233 . 1 1 23 23 ALA HA H 1 4.290 0.030 . 1 . . . . . 23 ALA HA . 11499 1 234 . 1 1 23 23 ALA HB1 H 1 1.425 0.030 . 1 . . . . . 23 ALA HB . 11499 1 235 . 1 1 23 23 ALA HB2 H 1 1.425 0.030 . 1 . . . . . 23 ALA HB . 11499 1 236 . 1 1 23 23 ALA HB3 H 1 1.425 0.030 . 1 . . . . . 23 ALA HB . 11499 1 237 . 1 1 23 23 ALA C C 13 178.210 0.300 . 1 . . . . . 23 ALA C . 11499 1 238 . 1 1 23 23 ALA CA C 13 53.004 0.300 . 1 . . . . . 23 ALA CA . 11499 1 239 . 1 1 23 23 ALA CB C 13 18.935 0.300 . 1 . . . . . 23 ALA CB . 11499 1 240 . 1 1 23 23 ALA N N 15 121.728 0.300 . 1 . . . . . 23 ALA N . 11499 1 241 . 1 1 24 24 SER H H 1 8.015 0.030 . 1 . . . . . 24 SER H . 11499 1 242 . 1 1 24 24 SER HA H 1 4.428 0.030 . 1 . . . . . 24 SER HA . 11499 1 243 . 1 1 24 24 SER HB2 H 1 3.912 0.030 . 2 . . . . . 24 SER HB2 . 11499 1 244 . 1 1 24 24 SER HB3 H 1 3.922 0.030 . 2 . . . . . 24 SER HB3 . 11499 1 245 . 1 1 24 24 SER C C 13 174.699 0.300 . 1 . . . . . 24 SER C . 11499 1 246 . 1 1 24 24 SER CA C 13 58.697 0.300 . 1 . . . . . 24 SER CA . 11499 1 247 . 1 1 24 24 SER CB C 13 63.820 0.300 . 1 . . . . . 24 SER CB . 11499 1 248 . 1 1 24 24 SER N N 15 114.087 0.300 . 1 . . . . . 24 SER N . 11499 1 249 . 1 1 25 25 ARG H H 1 8.161 0.030 . 1 . . . . . 25 ARG H . 11499 1 250 . 1 1 25 25 ARG HA H 1 4.367 0.030 . 1 . . . . . 25 ARG HA . 11499 1 251 . 1 1 25 25 ARG HB2 H 1 1.911 0.030 . 2 . . . . . 25 ARG HB2 . 11499 1 252 . 1 1 25 25 ARG HB3 H 1 1.808 0.030 . 2 . . . . . 25 ARG HB3 . 11499 1 253 . 1 1 25 25 ARG HD2 H 1 3.196 0.030 . 2 . . . . . 25 ARG HD2 . 11499 1 254 . 1 1 25 25 ARG HD3 H 1 3.196 0.030 . 2 . . . . . 25 ARG HD3 . 11499 1 255 . 1 1 25 25 ARG HG2 H 1 1.636 0.030 . 2 . . . . . 25 ARG HG2 . 11499 1 256 . 1 1 25 25 ARG HG3 H 1 1.682 0.030 . 2 . . . . . 25 ARG HG3 . 11499 1 257 . 1 1 25 25 ARG C C 13 176.857 0.300 . 1 . . . . . 25 ARG C . 11499 1 258 . 1 1 25 25 ARG CA C 13 56.396 0.300 . 1 . . . . . 25 ARG CA . 11499 1 259 . 1 1 25 25 ARG CB C 13 30.836 0.300 . 1 . . . . . 25 ARG CB . 11499 1 260 . 1 1 25 25 ARG CD C 13 43.298 0.300 . 1 . . . . . 25 ARG CD . 11499 1 261 . 1 1 25 25 ARG CG C 13 27.160 0.300 . 1 . . . . . 25 ARG CG . 11499 1 262 . 1 1 25 25 ARG N N 15 122.419 0.300 . 1 . . . . . 25 ARG N . 11499 1 263 . 1 1 26 26 GLY H H 1 8.385 0.030 . 1 . . . . . 26 GLY H . 11499 1 264 . 1 1 26 26 GLY HA2 H 1 3.982 0.030 . 2 . . . . . 26 GLY HA2 . 11499 1 265 . 1 1 26 26 GLY HA3 H 1 3.982 0.030 . 2 . . . . . 26 GLY HA3 . 11499 1 266 . 1 1 26 26 GLY C C 13 173.905 0.300 . 1 . . . . . 26 GLY C . 11499 1 267 . 1 1 26 26 GLY CA C 13 45.397 0.300 . 1 . . . . . 26 GLY CA . 11499 1 268 . 1 1 26 26 GLY N N 15 109.413 0.300 . 1 . . . . . 26 GLY N . 11499 1 269 . 1 1 27 27 ASN H H 1 8.413 0.030 . 1 . . . . . 27 ASN H . 11499 1 270 . 1 1 27 27 ASN HA H 1 4.770 0.030 . 1 . . . . . 27 ASN HA . 11499 1 271 . 1 1 27 27 ASN HB2 H 1 2.851 0.030 . 2 . . . . . 27 ASN HB2 . 11499 1 272 . 1 1 27 27 ASN HB3 H 1 2.775 0.030 . 2 . . . . . 27 ASN HB3 . 11499 1 273 . 1 1 27 27 ASN HD21 H 1 7.624 0.030 . 2 . . . . . 27 ASN HD21 . 11499 1 274 . 1 1 27 27 ASN HD22 H 1 6.900 0.030 . 2 . . . . . 27 ASN HD22 . 11499 1 275 . 1 1 27 27 ASN C C 13 175.609 0.300 . 1 . . . . . 27 ASN C . 11499 1 276 . 1 1 27 27 ASN CA C 13 53.362 0.300 . 1 . . . . . 27 ASN CA . 11499 1 277 . 1 1 27 27 ASN CB C 13 39.223 0.300 . 1 . . . . . 27 ASN CB . 11499 1 278 . 1 1 27 27 ASN N N 15 118.700 0.300 . 1 . . . . . 27 ASN N . 11499 1 279 . 1 1 27 27 ASN ND2 N 15 112.790 0.300 . 1 . . . . . 27 ASN ND2 . 11499 1 280 . 1 1 28 28 GLY H H 1 8.389 0.030 . 1 . . . . . 28 GLY H . 11499 1 281 . 1 1 28 28 GLY HA2 H 1 3.950 0.030 . 2 . . . . . 28 GLY HA2 . 11499 1 282 . 1 1 28 28 GLY HA3 H 1 3.950 0.030 . 2 . . . . . 28 GLY HA3 . 11499 1 283 . 1 1 28 28 GLY C C 13 173.320 0.300 . 1 . . . . . 28 GLY C . 11499 1 284 . 1 1 28 28 GLY CA C 13 45.362 0.300 . 1 . . . . . 28 GLY CA . 11499 1 285 . 1 1 28 28 GLY N N 15 109.236 0.300 . 1 . . . . . 28 GLY N . 11499 1 286 . 1 1 29 29 GLU H H 1 8.233 0.030 . 1 . . . . . 29 GLU H . 11499 1 287 . 1 1 29 29 GLU HA H 1 4.407 0.030 . 1 . . . . . 29 GLU HA . 11499 1 288 . 1 1 29 29 GLU HB2 H 1 1.988 0.030 . 2 . . . . . 29 GLU HB2 . 11499 1 289 . 1 1 29 29 GLU HB3 H 1 1.867 0.030 . 2 . . . . . 29 GLU HB3 . 11499 1 290 . 1 1 29 29 GLU HG2 H 1 2.212 0.030 . 2 . . . . . 29 GLU HG2 . 11499 1 291 . 1 1 29 29 GLU HG3 H 1 2.139 0.030 . 2 . . . . . 29 GLU HG3 . 11499 1 292 . 1 1 29 29 GLU C C 13 174.972 0.300 . 1 . . . . . 29 GLU C . 11499 1 293 . 1 1 29 29 GLU CA C 13 56.095 0.300 . 1 . . . . . 29 GLU CA . 11499 1 294 . 1 1 29 29 GLU CB C 13 31.121 0.300 . 1 . . . . . 29 GLU CB . 11499 1 295 . 1 1 29 29 GLU CG C 13 36.408 0.300 . 1 . . . . . 29 GLU CG . 11499 1 296 . 1 1 29 29 GLU N N 15 120.187 0.300 . 1 . . . . . 29 GLU N . 11499 1 297 . 1 1 30 30 TYR H H 1 7.943 0.030 . 1 . . . . . 30 TYR H . 11499 1 298 . 1 1 30 30 TYR HA H 1 4.844 0.030 . 1 . . . . . 30 TYR HA . 11499 1 299 . 1 1 30 30 TYR HB2 H 1 2.524 0.030 . 2 . . . . . 30 TYR HB2 . 11499 1 300 . 1 1 30 30 TYR HB3 H 1 2.590 0.030 . 2 . . . . . 30 TYR HB3 . 11499 1 301 . 1 1 30 30 TYR HD1 H 1 6.758 0.030 . 3 . . . . . 30 TYR HD1 . 11499 1 302 . 1 1 30 30 TYR HD2 H 1 6.758 0.030 . 3 . . . . . 30 TYR HD2 . 11499 1 303 . 1 1 30 30 TYR HE1 H 1 6.700 0.030 . 3 . . . . . 30 TYR HE1 . 11499 1 304 . 1 1 30 30 TYR HE2 H 1 6.700 0.030 . 3 . . . . . 30 TYR HE2 . 11499 1 305 . 1 1 30 30 TYR C C 13 174.686 0.300 . 1 . . . . . 30 TYR C . 11499 1 306 . 1 1 30 30 TYR CA C 13 57.436 0.300 . 1 . . . . . 30 TYR CA . 11499 1 307 . 1 1 30 30 TYR CB C 13 41.116 0.300 . 1 . . . . . 30 TYR CB . 11499 1 308 . 1 1 30 30 TYR CD1 C 13 133.109 0.300 . 3 . . . . . 30 TYR CD1 . 11499 1 309 . 1 1 30 30 TYR CD2 C 13 133.109 0.300 . 3 . . . . . 30 TYR CD2 . 11499 1 310 . 1 1 30 30 TYR CE1 C 13 118.117 0.300 . 3 . . . . . 30 TYR CE1 . 11499 1 311 . 1 1 30 30 TYR CE2 C 13 118.117 0.300 . 3 . . . . . 30 TYR CE2 . 11499 1 312 . 1 1 30 30 TYR N N 15 118.852 0.300 . 1 . . . . . 30 TYR N . 11499 1 313 . 1 1 31 31 ALA H H 1 9.017 0.030 . 1 . . . . . 31 ALA H . 11499 1 314 . 1 1 31 31 ALA HA H 1 4.599 0.030 . 1 . . . . . 31 ALA HA . 11499 1 315 . 1 1 31 31 ALA HB1 H 1 1.180 0.030 . 1 . . . . . 31 ALA HB . 11499 1 316 . 1 1 31 31 ALA HB2 H 1 1.180 0.030 . 1 . . . . . 31 ALA HB . 11499 1 317 . 1 1 31 31 ALA HB3 H 1 1.180 0.030 . 1 . . . . . 31 ALA HB . 11499 1 318 . 1 1 31 31 ALA C C 13 174.074 0.300 . 1 . . . . . 31 ALA C . 11499 1 319 . 1 1 31 31 ALA CA C 13 50.933 0.300 . 1 . . . . . 31 ALA CA . 11499 1 320 . 1 1 31 31 ALA CB C 13 23.001 0.300 . 1 . . . . . 31 ALA CB . 11499 1 321 . 1 1 31 31 ALA N N 15 123.785 0.300 . 1 . . . . . 31 ALA N . 11499 1 322 . 1 1 32 32 TRP H H 1 8.325 0.030 . 1 . . . . . 32 TRP H . 11499 1 323 . 1 1 32 32 TRP HA H 1 5.413 0.030 . 1 . . . . . 32 TRP HA . 11499 1 324 . 1 1 32 32 TRP HB2 H 1 3.340 0.030 . 2 . . . . . 32 TRP HB2 . 11499 1 325 . 1 1 32 32 TRP HB3 H 1 2.927 0.030 . 2 . . . . . 32 TRP HB3 . 11499 1 326 . 1 1 32 32 TRP HD1 H 1 7.207 0.030 . 1 . . . . . 32 TRP HD1 . 11499 1 327 . 1 1 32 32 TRP HE1 H 1 10.828 0.030 . 1 . . . . . 32 TRP HE1 . 11499 1 328 . 1 1 32 32 TRP HE3 H 1 6.702 0.030 . 1 . . . . . 32 TRP HE3 . 11499 1 329 . 1 1 32 32 TRP HH2 H 1 6.588 0.030 . 1 . . . . . 32 TRP HH2 . 11499 1 330 . 1 1 32 32 TRP HZ2 H 1 6.796 0.030 . 1 . . . . . 32 TRP HZ2 . 11499 1 331 . 1 1 32 32 TRP HZ3 H 1 7.330 0.030 . 1 . . . . . 32 TRP HZ3 . 11499 1 332 . 1 1 32 32 TRP C C 13 175.544 0.300 . 1 . . . . . 32 TRP C . 11499 1 333 . 1 1 32 32 TRP CA C 13 56.677 0.300 . 1 . . . . . 32 TRP CA . 11499 1 334 . 1 1 32 32 TRP CB C 13 32.411 0.300 . 1 . . . . . 32 TRP CB . 11499 1 335 . 1 1 32 32 TRP CD1 C 13 126.350 0.300 . 1 . . . . . 32 TRP CD1 . 11499 1 336 . 1 1 32 32 TRP CE3 C 13 120.818 0.300 . 1 . . . . . 32 TRP CE3 . 11499 1 337 . 1 1 32 32 TRP CH2 C 13 122.613 0.300 . 1 . . . . . 32 TRP CH2 . 11499 1 338 . 1 1 32 32 TRP CZ2 C 13 114.080 0.300 . 1 . . . . . 32 TRP CZ2 . 11499 1 339 . 1 1 32 32 TRP CZ3 C 13 120.235 0.300 . 1 . . . . . 32 TRP CZ3 . 11499 1 340 . 1 1 32 32 TRP N N 15 119.386 0.300 . 1 . . . . . 32 TRP N . 11499 1 341 . 1 1 32 32 TRP NE1 N 15 129.943 0.300 . 1 . . . . . 32 TRP NE1 . 11499 1 342 . 1 1 33 33 TYR H H 1 9.567 0.030 . 1 . . . . . 33 TYR H . 11499 1 343 . 1 1 33 33 TYR HA H 1 5.590 0.030 . 1 . . . . . 33 TYR HA . 11499 1 344 . 1 1 33 33 TYR HB2 H 1 3.020 0.030 . 2 . . . . . 33 TYR HB2 . 11499 1 345 . 1 1 33 33 TYR HB3 H 1 2.470 0.030 . 2 . . . . . 33 TYR HB3 . 11499 1 346 . 1 1 33 33 TYR HD1 H 1 6.616 0.030 . 3 . . . . . 33 TYR HD1 . 11499 1 347 . 1 1 33 33 TYR HD2 H 1 6.616 0.030 . 3 . . . . . 33 TYR HD2 . 11499 1 348 . 1 1 33 33 TYR HE1 H 1 6.520 0.030 . 3 . . . . . 33 TYR HE1 . 11499 1 349 . 1 1 33 33 TYR HE2 H 1 6.520 0.030 . 3 . . . . . 33 TYR HE2 . 11499 1 350 . 1 1 33 33 TYR C C 13 174.595 0.300 . 1 . . . . . 33 TYR C . 11499 1 351 . 1 1 33 33 TYR CA C 13 56.120 0.300 . 1 . . . . . 33 TYR CA . 11499 1 352 . 1 1 33 33 TYR CB C 13 44.521 0.300 . 1 . . . . . 33 TYR CB . 11499 1 353 . 1 1 33 33 TYR CD1 C 13 132.826 0.300 . 3 . . . . . 33 TYR CD1 . 11499 1 354 . 1 1 33 33 TYR CD2 C 13 132.826 0.300 . 3 . . . . . 33 TYR CD2 . 11499 1 355 . 1 1 33 33 TYR CE1 C 13 118.542 0.300 . 3 . . . . . 33 TYR CE1 . 11499 1 356 . 1 1 33 33 TYR CE2 C 13 118.542 0.300 . 3 . . . . . 33 TYR CE2 . 11499 1 357 . 1 1 33 33 TYR N N 15 119.920 0.300 . 1 . . . . . 33 TYR N . 11499 1 358 . 1 1 34 34 TYR H H 1 9.252 0.030 . 1 . . . . . 34 TYR H . 11499 1 359 . 1 1 34 34 TYR HA H 1 6.018 0.030 . 1 . . . . . 34 TYR HA . 11499 1 360 . 1 1 34 34 TYR HB2 H 1 3.011 0.030 . 2 . . . . . 34 TYR HB2 . 11499 1 361 . 1 1 34 34 TYR HB3 H 1 2.689 0.030 . 2 . . . . . 34 TYR HB3 . 11499 1 362 . 1 1 34 34 TYR HD1 H 1 5.953 0.030 . 3 . . . . . 34 TYR HD1 . 11499 1 363 . 1 1 34 34 TYR HD2 H 1 5.953 0.030 . 3 . . . . . 34 TYR HD2 . 11499 1 364 . 1 1 34 34 TYR HE1 H 1 6.250 0.030 . 3 . . . . . 34 TYR HE1 . 11499 1 365 . 1 1 34 34 TYR HE2 H 1 6.250 0.030 . 3 . . . . . 34 TYR HE2 . 11499 1 366 . 1 1 34 34 TYR C C 13 174.491 0.300 . 1 . . . . . 34 TYR C . 11499 1 367 . 1 1 34 34 TYR CA C 13 54.856 0.300 . 1 . . . . . 34 TYR CA . 11499 1 368 . 1 1 34 34 TYR CB C 13 41.207 0.300 . 1 . . . . . 34 TYR CB . 11499 1 369 . 1 1 34 34 TYR CD1 C 13 134.069 0.300 . 3 . . . . . 34 TYR CD1 . 11499 1 370 . 1 1 34 34 TYR CD2 C 13 134.069 0.300 . 3 . . . . . 34 TYR CD2 . 11499 1 371 . 1 1 34 34 TYR CE1 C 13 117.054 0.300 . 3 . . . . . 34 TYR CE1 . 11499 1 372 . 1 1 34 34 TYR CE2 C 13 117.054 0.300 . 3 . . . . . 34 TYR CE2 . 11499 1 373 . 1 1 34 34 TYR N N 15 115.268 0.300 . 1 . . . . . 34 TYR N . 11499 1 374 . 1 1 35 35 GLU H H 1 8.510 0.030 . 1 . . . . . 35 GLU H . 11499 1 375 . 1 1 35 35 GLU HA H 1 3.430 0.030 . 1 . . . . . 35 GLU HA . 11499 1 376 . 1 1 35 35 GLU HB2 H 1 1.801 0.030 . 2 . . . . . 35 GLU HB2 . 11499 1 377 . 1 1 35 35 GLU HB3 H 1 0.936 0.030 . 2 . . . . . 35 GLU HB3 . 11499 1 378 . 1 1 35 35 GLU HG2 H 1 1.793 0.030 . 2 . . . . . 35 GLU HG2 . 11499 1 379 . 1 1 35 35 GLU HG3 H 1 1.334 0.030 . 2 . . . . . 35 GLU HG3 . 11499 1 380 . 1 1 35 35 GLU C C 13 175.791 0.300 . 1 . . . . . 35 GLU C . 11499 1 381 . 1 1 35 35 GLU CA C 13 56.790 0.300 . 1 . . . . . 35 GLU CA . 11499 1 382 . 1 1 35 35 GLU CB C 13 30.370 0.300 . 1 . . . . . 35 GLU CB . 11499 1 383 . 1 1 35 35 GLU CG C 13 35.841 0.300 . 1 . . . . . 35 GLU CG . 11499 1 384 . 1 1 35 35 GLU N N 15 123.393 0.300 . 1 . . . . . 35 GLU N . 11499 1 385 . 1 1 36 36 GLY H H 1 8.123 0.030 . 1 . . . . . 36 GLY H . 11499 1 386 . 1 1 36 36 GLY HA2 H 1 4.390 0.030 . 2 . . . . . 36 GLY HA2 . 11499 1 387 . 1 1 36 36 GLY HA3 H 1 3.450 0.030 . 2 . . . . . 36 GLY HA3 . 11499 1 388 . 1 1 36 36 GLY C C 13 173.736 0.300 . 1 . . . . . 36 GLY C . 11499 1 389 . 1 1 36 36 GLY CA C 13 43.948 0.300 . 1 . . . . . 36 GLY CA . 11499 1 390 . 1 1 36 36 GLY N N 15 114.780 0.300 . 1 . . . . . 36 GLY N . 11499 1 391 . 1 1 37 37 ARG H H 1 8.502 0.030 . 1 . . . . . 37 ARG H . 11499 1 392 . 1 1 37 37 ARG HA H 1 4.045 0.030 . 1 . . . . . 37 ARG HA . 11499 1 393 . 1 1 37 37 ARG HB2 H 1 1.800 0.030 . 2 . . . . . 37 ARG HB2 . 11499 1 394 . 1 1 37 37 ARG HB3 H 1 1.800 0.030 . 2 . . . . . 37 ARG HB3 . 11499 1 395 . 1 1 37 37 ARG HD2 H 1 3.200 0.030 . 2 . . . . . 37 ARG HD2 . 11499 1 396 . 1 1 37 37 ARG HD3 H 1 3.200 0.030 . 2 . . . . . 37 ARG HD3 . 11499 1 397 . 1 1 37 37 ARG HG2 H 1 1.623 0.030 . 2 . . . . . 37 ARG HG2 . 11499 1 398 . 1 1 37 37 ARG HG3 H 1 1.623 0.030 . 2 . . . . . 37 ARG HG3 . 11499 1 399 . 1 1 37 37 ARG C C 13 176.951 0.300 . 1 . . . . . 37 ARG C . 11499 1 400 . 1 1 37 37 ARG CA C 13 58.281 0.300 . 1 . . . . . 37 ARG CA . 11499 1 401 . 1 1 37 37 ARG CB C 13 29.953 0.300 . 1 . . . . . 37 ARG CB . 11499 1 402 . 1 1 37 37 ARG CD C 13 43.298 0.300 . 1 . . . . . 37 ARG CD . 11499 1 403 . 1 1 37 37 ARG CG C 13 27.112 0.300 . 1 . . . . . 37 ARG CG . 11499 1 404 . 1 1 37 37 ARG N N 15 115.981 0.300 . 1 . . . . . 37 ARG N . 11499 1 405 . 1 1 38 38 ASN H H 1 8.631 0.030 . 1 . . . . . 38 ASN H . 11499 1 406 . 1 1 38 38 ASN HA H 1 4.689 0.030 . 1 . . . . . 38 ASN HA . 11499 1 407 . 1 1 38 38 ASN HB2 H 1 2.932 0.030 . 2 . . . . . 38 ASN HB2 . 11499 1 408 . 1 1 38 38 ASN HB3 H 1 2.789 0.030 . 2 . . . . . 38 ASN HB3 . 11499 1 409 . 1 1 38 38 ASN HD21 H 1 7.627 0.030 . 2 . . . . . 38 ASN HD21 . 11499 1 410 . 1 1 38 38 ASN HD22 H 1 6.902 0.030 . 2 . . . . . 38 ASN HD22 . 11499 1 411 . 1 1 38 38 ASN C C 13 173.996 0.300 . 1 . . . . . 38 ASN C . 11499 1 412 . 1 1 38 38 ASN CA C 13 53.138 0.300 . 1 . . . . . 38 ASN CA . 11499 1 413 . 1 1 38 38 ASN CB C 13 38.717 0.300 . 1 . . . . . 38 ASN CB . 11499 1 414 . 1 1 38 38 ASN N N 15 116.146 0.300 . 1 . . . . . 38 ASN N . 11499 1 415 . 1 1 38 38 ASN ND2 N 15 112.790 0.300 . 1 . . . . . 38 ASN ND2 . 11499 1 416 . 1 1 39 39 GLY H H 1 7.358 0.030 . 1 . . . . . 39 GLY H . 11499 1 417 . 1 1 39 39 GLY HA2 H 1 4.134 0.030 . 2 . . . . . 39 GLY HA2 . 11499 1 418 . 1 1 39 39 GLY HA3 H 1 3.607 0.030 . 2 . . . . . 39 GLY HA3 . 11499 1 419 . 1 1 39 39 GLY C C 13 172.046 0.300 . 1 . . . . . 39 GLY C . 11499 1 420 . 1 1 39 39 GLY CA C 13 44.598 0.300 . 1 . . . . . 39 GLY CA . 11499 1 421 . 1 1 39 39 GLY N N 15 107.241 0.300 . 1 . . . . . 39 GLY N . 11499 1 422 . 1 1 40 40 TRP H H 1 8.210 0.030 . 1 . . . . . 40 TRP H . 11499 1 423 . 1 1 40 40 TRP HA H 1 4.778 0.030 . 1 . . . . . 40 TRP HA . 11499 1 424 . 1 1 40 40 TRP HB2 H 1 2.700 0.030 . 2 . . . . . 40 TRP HB2 . 11499 1 425 . 1 1 40 40 TRP HB3 H 1 2.727 0.030 . 2 . . . . . 40 TRP HB3 . 11499 1 426 . 1 1 40 40 TRP HD1 H 1 7.091 0.030 . 1 . . . . . 40 TRP HD1 . 11499 1 427 . 1 1 40 40 TRP HE1 H 1 10.006 0.030 . 1 . . . . . 40 TRP HE1 . 11499 1 428 . 1 1 40 40 TRP HE3 H 1 7.086 0.030 . 1 . . . . . 40 TRP HE3 . 11499 1 429 . 1 1 40 40 TRP HH2 H 1 6.903 0.030 . 1 . . . . . 40 TRP HH2 . 11499 1 430 . 1 1 40 40 TRP HZ2 H 1 7.406 0.030 . 1 . . . . . 40 TRP HZ2 . 11499 1 431 . 1 1 40 40 TRP HZ3 H 1 6.746 0.030 . 1 . . . . . 40 TRP HZ3 . 11499 1 432 . 1 1 40 40 TRP C C 13 176.051 0.300 . 1 . . . . . 40 TRP C . 11499 1 433 . 1 1 40 40 TRP CA C 13 56.680 0.300 . 1 . . . . . 40 TRP CA . 11499 1 434 . 1 1 40 40 TRP CB C 13 30.966 0.300 . 1 . . . . . 40 TRP CB . 11499 1 435 . 1 1 40 40 TRP CD1 C 13 127.509 0.300 . 1 . . . . . 40 TRP CD1 . 11499 1 436 . 1 1 40 40 TRP CE3 C 13 119.454 0.300 . 1 . . . . . 40 TRP CE3 . 11499 1 437 . 1 1 40 40 TRP CH2 C 13 124.111 0.300 . 1 . . . . . 40 TRP CH2 . 11499 1 438 . 1 1 40 40 TRP CZ2 C 13 114.971 0.300 . 1 . . . . . 40 TRP CZ2 . 11499 1 439 . 1 1 40 40 TRP CZ3 C 13 122.221 0.300 . 1 . . . . . 40 TRP CZ3 . 11499 1 440 . 1 1 40 40 TRP N N 15 120.187 0.300 . 1 . . . . . 40 TRP N . 11499 1 441 . 1 1 40 40 TRP NE1 N 15 129.346 0.300 . 1 . . . . . 40 TRP NE1 . 11499 1 442 . 1 1 41 41 TRP H H 1 9.315 0.030 . 1 . . . . . 41 TRP H . 11499 1 443 . 1 1 41 41 TRP HA H 1 4.680 0.030 . 1 . . . . . 41 TRP HA . 11499 1 444 . 1 1 41 41 TRP HB2 H 1 1.780 0.030 . 2 . . . . . 41 TRP HB2 . 11499 1 445 . 1 1 41 41 TRP HB3 H 1 2.684 0.030 . 2 . . . . . 41 TRP HB3 . 11499 1 446 . 1 1 41 41 TRP HD1 H 1 6.854 0.030 . 1 . . . . . 41 TRP HD1 . 11499 1 447 . 1 1 41 41 TRP HE1 H 1 10.046 0.030 . 1 . . . . . 41 TRP HE1 . 11499 1 448 . 1 1 41 41 TRP HE3 H 1 7.143 0.030 . 1 . . . . . 41 TRP HE3 . 11499 1 449 . 1 1 41 41 TRP HH2 H 1 7.227 0.030 . 1 . . . . . 41 TRP HH2 . 11499 1 450 . 1 1 41 41 TRP HZ2 H 1 7.464 0.030 . 1 . . . . . 41 TRP HZ2 . 11499 1 451 . 1 1 41 41 TRP HZ3 H 1 7.690 0.030 . 1 . . . . . 41 TRP HZ3 . 11499 1 452 . 1 1 41 41 TRP C C 13 174.048 0.300 . 1 . . . . . 41 TRP C . 11499 1 453 . 1 1 41 41 TRP CA C 13 55.427 0.300 . 1 . . . . . 41 TRP CA . 11499 1 454 . 1 1 41 41 TRP CB C 13 31.017 0.300 . 1 . . . . . 41 TRP CB . 11499 1 455 . 1 1 41 41 TRP CD1 C 13 126.759 0.300 . 1 . . . . . 41 TRP CD1 . 11499 1 456 . 1 1 41 41 TRP CE3 C 13 121.904 0.300 . 1 . . . . . 41 TRP CE3 . 11499 1 457 . 1 1 41 41 TRP CH2 C 13 124.531 0.300 . 1 . . . . . 41 TRP CH2 . 11499 1 458 . 1 1 41 41 TRP CZ2 C 13 114.439 0.300 . 1 . . . . . 41 TRP CZ2 . 11499 1 459 . 1 1 41 41 TRP CZ3 C 13 121.066 0.300 . 1 . . . . . 41 TRP CZ3 . 11499 1 460 . 1 1 41 41 TRP N N 15 124.927 0.300 . 1 . . . . . 41 TRP N . 11499 1 461 . 1 1 41 41 TRP NE1 N 15 128.748 0.300 . 1 . . . . . 41 TRP NE1 . 11499 1 462 . 1 1 42 42 GLN H H 1 8.770 0.030 . 1 . . . . . 42 GLN H . 11499 1 463 . 1 1 42 42 GLN HA H 1 4.210 0.030 . 1 . . . . . 42 GLN HA . 11499 1 464 . 1 1 42 42 GLN HB2 H 1 1.790 0.030 . 2 . . . . . 42 GLN HB2 . 11499 1 465 . 1 1 42 42 GLN HB3 H 1 1.880 0.030 . 2 . . . . . 42 GLN HB3 . 11499 1 466 . 1 1 42 42 GLN HE21 H 1 7.585 0.030 . 2 . . . . . 42 GLN HE21 . 11499 1 467 . 1 1 42 42 GLN HE22 H 1 6.707 0.030 . 2 . . . . . 42 GLN HE22 . 11499 1 468 . 1 1 42 42 GLN HG2 H 1 2.770 0.030 . 2 . . . . . 42 GLN HG2 . 11499 1 469 . 1 1 42 42 GLN HG3 H 1 1.810 0.030 . 2 . . . . . 42 GLN HG3 . 11499 1 470 . 1 1 42 42 GLN C C 13 177.924 0.300 . 1 . . . . . 42 GLN C . 11499 1 471 . 1 1 42 42 GLN CA C 13 56.150 0.300 . 1 . . . . . 42 GLN CA . 11499 1 472 . 1 1 42 42 GLN CB C 13 29.660 0.300 . 1 . . . . . 42 GLN CB . 11499 1 473 . 1 1 42 42 GLN CG C 13 33.485 0.300 . 1 . . . . . 42 GLN CG . 11499 1 474 . 1 1 42 42 GLN N N 15 124.007 0.300 . 1 . . . . . 42 GLN N . 11499 1 475 . 1 1 42 42 GLN NE2 N 15 110.353 0.300 . 1 . . . . . 42 GLN NE2 . 11499 1 476 . 1 1 43 43 TYR H H 1 8.582 0.030 . 1 . . . . . 43 TYR H . 11499 1 477 . 1 1 43 43 TYR HA H 1 4.630 0.030 . 1 . . . . . 43 TYR HA . 11499 1 478 . 1 1 43 43 TYR HB2 H 1 3.120 0.030 . 2 . . . . . 43 TYR HB2 . 11499 1 479 . 1 1 43 43 TYR HB3 H 1 2.780 0.030 . 2 . . . . . 43 TYR HB3 . 11499 1 480 . 1 1 43 43 TYR HD1 H 1 7.137 0.030 . 3 . . . . . 43 TYR HD1 . 11499 1 481 . 1 1 43 43 TYR HD2 H 1 7.137 0.030 . 3 . . . . . 43 TYR HD2 . 11499 1 482 . 1 1 43 43 TYR HE1 H 1 6.550 0.030 . 3 . . . . . 43 TYR HE1 . 11499 1 483 . 1 1 43 43 TYR HE2 H 1 6.550 0.030 . 3 . . . . . 43 TYR HE2 . 11499 1 484 . 1 1 43 43 TYR C C 13 176.545 0.300 . 1 . . . . . 43 TYR C . 11499 1 485 . 1 1 43 43 TYR CA C 13 60.968 0.300 . 1 . . . . . 43 TYR CA . 11499 1 486 . 1 1 43 43 TYR CB C 13 40.118 0.300 . 1 . . . . . 43 TYR CB . 11499 1 487 . 1 1 43 43 TYR CD1 C 13 132.776 0.300 . 3 . . . . . 43 TYR CD1 . 11499 1 488 . 1 1 43 43 TYR CD2 C 13 132.776 0.300 . 3 . . . . . 43 TYR CD2 . 11499 1 489 . 1 1 43 43 TYR CE1 C 13 118.685 0.300 . 3 . . . . . 43 TYR CE1 . 11499 1 490 . 1 1 43 43 TYR CE2 C 13 118.685 0.300 . 3 . . . . . 43 TYR CE2 . 11499 1 491 . 1 1 43 43 TYR N N 15 125.976 0.300 . 1 . . . . . 43 TYR N . 11499 1 492 . 1 1 44 44 ASP H H 1 8.645 0.030 . 1 . . . . . 44 ASP H . 11499 1 493 . 1 1 44 44 ASP HA H 1 4.571 0.030 . 1 . . . . . 44 ASP HA . 11499 1 494 . 1 1 44 44 ASP HB2 H 1 3.174 0.030 . 2 . . . . . 44 ASP HB2 . 11499 1 495 . 1 1 44 44 ASP HB3 H 1 2.904 0.030 . 2 . . . . . 44 ASP HB3 . 11499 1 496 . 1 1 44 44 ASP C C 13 176.493 0.300 . 1 . . . . . 44 ASP C . 11499 1 497 . 1 1 44 44 ASP CA C 13 53.749 0.300 . 1 . . . . . 44 ASP CA . 11499 1 498 . 1 1 44 44 ASP CB C 13 41.389 0.300 . 1 . . . . . 44 ASP CB . 11499 1 499 . 1 1 44 44 ASP N N 15 118.051 0.300 . 1 . . . . . 44 ASP N . 11499 1 500 . 1 1 45 45 GLU H H 1 9.018 0.030 . 1 . . . . . 45 GLU H . 11499 1 501 . 1 1 45 45 GLU HA H 1 4.039 0.030 . 1 . . . . . 45 GLU HA . 11499 1 502 . 1 1 45 45 GLU HB2 H 1 2.160 0.030 . 2 . . . . . 45 GLU HB2 . 11499 1 503 . 1 1 45 45 GLU HB3 H 1 2.071 0.030 . 2 . . . . . 45 GLU HB3 . 11499 1 504 . 1 1 45 45 GLU HG2 H 1 2.310 0.030 . 2 . . . . . 45 GLU HG2 . 11499 1 505 . 1 1 45 45 GLU HG3 H 1 2.405 0.030 . 2 . . . . . 45 GLU HG3 . 11499 1 506 . 1 1 45 45 GLU C C 13 178.379 0.300 . 1 . . . . . 45 GLU C . 11499 1 507 . 1 1 45 45 GLU CA C 13 60.529 0.300 . 1 . . . . . 45 GLU CA . 11499 1 508 . 1 1 45 45 GLU CB C 13 29.810 0.300 . 1 . . . . . 45 GLU CB . 11499 1 509 . 1 1 45 45 GLU CG C 13 36.269 0.300 . 1 . . . . . 45 GLU CG . 11499 1 510 . 1 1 45 45 GLU N N 15 122.160 0.300 . 1 . . . . . 45 GLU N . 11499 1 511 . 1 1 46 46 ARG H H 1 8.348 0.030 . 1 . . . . . 46 ARG H . 11499 1 512 . 1 1 46 46 ARG HA H 1 4.002 0.030 . 1 . . . . . 46 ARG HA . 11499 1 513 . 1 1 46 46 ARG HB2 H 1 1.932 0.030 . 2 . . . . . 46 ARG HB2 . 11499 1 514 . 1 1 46 46 ARG HB3 H 1 1.932 0.030 . 2 . . . . . 46 ARG HB3 . 11499 1 515 . 1 1 46 46 ARG HD2 H 1 3.200 0.030 . 2 . . . . . 46 ARG HD2 . 11499 1 516 . 1 1 46 46 ARG HD3 H 1 3.200 0.030 . 2 . . . . . 46 ARG HD3 . 11499 1 517 . 1 1 46 46 ARG HG2 H 1 1.719 0.030 . 2 . . . . . 46 ARG HG2 . 11499 1 518 . 1 1 46 46 ARG HG3 H 1 1.590 0.030 . 2 . . . . . 46 ARG HG3 . 11499 1 519 . 1 1 46 46 ARG C C 13 178.964 0.300 . 1 . . . . . 46 ARG C . 11499 1 520 . 1 1 46 46 ARG CA C 13 59.684 0.300 . 1 . . . . . 46 ARG CA . 11499 1 521 . 1 1 46 46 ARG CB C 13 29.673 0.300 . 1 . . . . . 46 ARG CB . 11499 1 522 . 1 1 46 46 ARG CD C 13 43.300 0.300 . 1 . . . . . 46 ARG CD . 11499 1 523 . 1 1 46 46 ARG CG C 13 27.181 0.300 . 1 . . . . . 46 ARG CG . 11499 1 524 . 1 1 46 46 ARG N N 15 120.015 0.300 . 1 . . . . . 46 ARG N . 11499 1 525 . 1 1 47 47 THR H H 1 8.528 0.030 . 1 . . . . . 47 THR H . 11499 1 526 . 1 1 47 47 THR HA H 1 3.640 0.030 . 1 . . . . . 47 THR HA . 11499 1 527 . 1 1 47 47 THR HB H 1 3.842 0.030 . 1 . . . . . 47 THR HB . 11499 1 528 . 1 1 47 47 THR HG21 H 1 0.671 0.030 . 1 . . . . . 47 THR HG2 . 11499 1 529 . 1 1 47 47 THR HG22 H 1 0.671 0.030 . 1 . . . . . 47 THR HG2 . 11499 1 530 . 1 1 47 47 THR HG23 H 1 0.671 0.030 . 1 . . . . . 47 THR HG2 . 11499 1 531 . 1 1 47 47 THR C C 13 176.363 0.300 . 1 . . . . . 47 THR C . 11499 1 532 . 1 1 47 47 THR CA C 13 66.813 0.300 . 1 . . . . . 47 THR CA . 11499 1 533 . 1 1 47 47 THR CB C 13 67.993 0.300 . 1 . . . . . 47 THR CB . 11499 1 534 . 1 1 47 47 THR CG2 C 13 23.068 0.300 . 1 . . . . . 47 THR CG2 . 11499 1 535 . 1 1 47 47 THR N N 15 118.583 0.300 . 1 . . . . . 47 THR N . 11499 1 536 . 1 1 48 48 SER H H 1 8.502 0.030 . 1 . . . . . 48 SER H . 11499 1 537 . 1 1 48 48 SER HA H 1 4.027 0.030 . 1 . . . . . 48 SER HA . 11499 1 538 . 1 1 48 48 SER HB2 H 1 3.752 0.030 . 2 . . . . . 48 SER HB2 . 11499 1 539 . 1 1 48 48 SER HB3 H 1 4.158 0.030 . 2 . . . . . 48 SER HB3 . 11499 1 540 . 1 1 48 48 SER C C 13 174.647 0.300 . 1 . . . . . 48 SER C . 11499 1 541 . 1 1 48 48 SER CA C 13 63.321 0.300 . 1 . . . . . 48 SER CA . 11499 1 542 . 1 1 48 48 SER CB C 13 63.189 0.300 . 1 . . . . . 48 SER CB . 11499 1 543 . 1 1 48 48 SER N N 15 115.984 0.300 . 1 . . . . . 48 SER N . 11499 1 544 . 1 1 49 49 ARG H H 1 7.871 0.030 . 1 . . . . . 49 ARG H . 11499 1 545 . 1 1 49 49 ARG HA H 1 4.087 0.030 . 1 . . . . . 49 ARG HA . 11499 1 546 . 1 1 49 49 ARG HB2 H 1 1.996 0.030 . 2 . . . . . 49 ARG HB2 . 11499 1 547 . 1 1 49 49 ARG HB3 H 1 1.953 0.030 . 2 . . . . . 49 ARG HB3 . 11499 1 548 . 1 1 49 49 ARG HD2 H 1 3.238 0.030 . 2 . . . . . 49 ARG HD2 . 11499 1 549 . 1 1 49 49 ARG HD3 H 1 3.238 0.030 . 2 . . . . . 49 ARG HD3 . 11499 1 550 . 1 1 49 49 ARG HG2 H 1 1.846 0.030 . 2 . . . . . 49 ARG HG2 . 11499 1 551 . 1 1 49 49 ARG HG3 H 1 1.725 0.030 . 2 . . . . . 49 ARG HG3 . 11499 1 552 . 1 1 49 49 ARG C C 13 179.016 0.300 . 1 . . . . . 49 ARG C . 11499 1 553 . 1 1 49 49 ARG CA C 13 59.362 0.300 . 1 . . . . . 49 ARG CA . 11499 1 554 . 1 1 49 49 ARG CB C 13 29.995 0.300 . 1 . . . . . 49 ARG CB . 11499 1 555 . 1 1 49 49 ARG CD C 13 43.595 0.300 . 1 . . . . . 49 ARG CD . 11499 1 556 . 1 1 49 49 ARG CG C 13 27.586 0.300 . 1 . . . . . 49 ARG CG . 11499 1 557 . 1 1 49 49 ARG N N 15 119.733 0.300 . 1 . . . . . 49 ARG N . 11499 1 558 . 1 1 50 50 GLU H H 1 7.557 0.030 . 1 . . . . . 50 GLU H . 11499 1 559 . 1 1 50 50 GLU HA H 1 4.011 0.030 . 1 . . . . . 50 GLU HA . 11499 1 560 . 1 1 50 50 GLU HB2 H 1 2.087 0.030 . 2 . . . . . 50 GLU HB2 . 11499 1 561 . 1 1 50 50 GLU HB3 H 1 1.930 0.030 . 2 . . . . . 50 GLU HB3 . 11499 1 562 . 1 1 50 50 GLU HG2 H 1 2.343 0.030 . 2 . . . . . 50 GLU HG2 . 11499 1 563 . 1 1 50 50 GLU HG3 H 1 2.272 0.030 . 2 . . . . . 50 GLU HG3 . 11499 1 564 . 1 1 50 50 GLU C C 13 179.978 0.300 . 1 . . . . . 50 GLU C . 11499 1 565 . 1 1 50 50 GLU CA C 13 59.280 0.300 . 1 . . . . . 50 GLU CA . 11499 1 566 . 1 1 50 50 GLU CB C 13 29.047 0.300 . 1 . . . . . 50 GLU CB . 11499 1 567 . 1 1 50 50 GLU CG C 13 36.052 0.300 . 1 . . . . . 50 GLU CG . 11499 1 568 . 1 1 50 50 GLU N N 15 120.538 0.300 . 1 . . . . . 50 GLU N . 11499 1 569 . 1 1 51 51 LEU H H 1 7.942 0.030 . 1 . . . . . 51 LEU H . 11499 1 570 . 1 1 51 51 LEU HA H 1 3.301 0.030 . 1 . . . . . 51 LEU HA . 11499 1 571 . 1 1 51 51 LEU HB2 H 1 0.301 0.030 . 2 . . . . . 51 LEU HB2 . 11499 1 572 . 1 1 51 51 LEU HB3 H 1 -1.153 0.030 . 2 . . . . . 51 LEU HB3 . 11499 1 573 . 1 1 51 51 LEU HD11 H 1 0.023 0.030 . 2 . . . . . 51 LEU HD1 . 11499 1 574 . 1 1 51 51 LEU HD12 H 1 0.023 0.030 . 2 . . . . . 51 LEU HD1 . 11499 1 575 . 1 1 51 51 LEU HD13 H 1 0.023 0.030 . 2 . . . . . 51 LEU HD1 . 11499 1 576 . 1 1 51 51 LEU HD21 H 1 -0.229 0.030 . 2 . . . . . 51 LEU HD2 . 11499 1 577 . 1 1 51 51 LEU HD22 H 1 -0.229 0.030 . 2 . . . . . 51 LEU HD2 . 11499 1 578 . 1 1 51 51 LEU HD23 H 1 -0.229 0.030 . 2 . . . . . 51 LEU HD2 . 11499 1 579 . 1 1 51 51 LEU HG H 1 0.860 0.030 . 1 . . . . . 51 LEU HG . 11499 1 580 . 1 1 51 51 LEU C C 13 177.637 0.300 . 1 . . . . . 51 LEU C . 11499 1 581 . 1 1 51 51 LEU CA C 13 58.036 0.300 . 1 . . . . . 51 LEU CA . 11499 1 582 . 1 1 51 51 LEU CB C 13 38.652 0.300 . 1 . . . . . 51 LEU CB . 11499 1 583 . 1 1 51 51 LEU CD1 C 13 22.719 0.300 . 2 . . . . . 51 LEU CD1 . 11499 1 584 . 1 1 51 51 LEU CD2 C 13 25.429 0.300 . 2 . . . . . 51 LEU CD2 . 11499 1 585 . 1 1 51 51 LEU CG C 13 26.134 0.300 . 1 . . . . . 51 LEU CG . 11499 1 586 . 1 1 51 51 LEU N N 15 122.512 0.300 . 1 . . . . . 51 LEU N . 11499 1 587 . 1 1 52 52 GLU H H 1 8.105 0.030 . 1 . . . . . 52 GLU H . 11499 1 588 . 1 1 52 52 GLU HA H 1 4.447 0.030 . 1 . . . . . 52 GLU HA . 11499 1 589 . 1 1 52 52 GLU HB2 H 1 2.280 0.030 . 2 . . . . . 52 GLU HB2 . 11499 1 590 . 1 1 52 52 GLU HB3 H 1 1.910 0.030 . 2 . . . . . 52 GLU HB3 . 11499 1 591 . 1 1 52 52 GLU HG2 H 1 2.333 0.030 . 2 . . . . . 52 GLU HG2 . 11499 1 592 . 1 1 52 52 GLU HG3 H 1 2.300 0.030 . 2 . . . . . 52 GLU HG3 . 11499 1 593 . 1 1 52 52 GLU C C 13 179.588 0.300 . 1 . . . . . 52 GLU C . 11499 1 594 . 1 1 52 52 GLU CA C 13 58.587 0.300 . 1 . . . . . 52 GLU CA . 11499 1 595 . 1 1 52 52 GLU CB C 13 29.338 0.300 . 1 . . . . . 52 GLU CB . 11499 1 596 . 1 1 52 52 GLU CG C 13 33.860 0.300 . 1 . . . . . 52 GLU CG . 11499 1 597 . 1 1 52 52 GLU N N 15 119.178 0.300 . 1 . . . . . 52 GLU N . 11499 1 598 . 1 1 53 53 ASP H H 1 8.246 0.030 . 1 . . . . . 53 ASP H . 11499 1 599 . 1 1 53 53 ASP HA H 1 4.332 0.030 . 1 . . . . . 53 ASP HA . 11499 1 600 . 1 1 53 53 ASP HB2 H 1 2.773 0.030 . 2 . . . . . 53 ASP HB2 . 11499 1 601 . 1 1 53 53 ASP HB3 H 1 2.641 0.030 . 2 . . . . . 53 ASP HB3 . 11499 1 602 . 1 1 53 53 ASP C C 13 174.972 0.300 . 1 . . . . . 53 ASP C . 11499 1 603 . 1 1 53 53 ASP CA C 13 57.836 0.300 . 1 . . . . . 53 ASP CA . 11499 1 604 . 1 1 53 53 ASP CB C 13 42.048 0.300 . 1 . . . . . 53 ASP CB . 11499 1 605 . 1 1 53 53 ASP N N 15 120.404 0.300 . 1 . . . . . 53 ASP N . 11499 1 606 . 1 1 54 54 ALA H H 1 7.615 0.030 . 1 . . . . . 54 ALA H . 11499 1 607 . 1 1 54 54 ALA HA H 1 3.923 0.030 . 1 . . . . . 54 ALA HA . 11499 1 608 . 1 1 54 54 ALA HB1 H 1 1.369 0.030 . 1 . . . . . 54 ALA HB . 11499 1 609 . 1 1 54 54 ALA HB2 H 1 1.369 0.030 . 1 . . . . . 54 ALA HB . 11499 1 610 . 1 1 54 54 ALA HB3 H 1 1.369 0.030 . 1 . . . . . 54 ALA HB . 11499 1 611 . 1 1 54 54 ALA C C 13 179.146 0.300 . 1 . . . . . 54 ALA C . 11499 1 612 . 1 1 54 54 ALA CA C 13 55.400 0.300 . 1 . . . . . 54 ALA CA . 11499 1 613 . 1 1 54 54 ALA CB C 13 18.222 0.300 . 1 . . . . . 54 ALA CB . 11499 1 614 . 1 1 54 54 ALA N N 15 120.913 0.300 . 1 . . . . . 54 ALA N . 11499 1 615 . 1 1 55 55 PHE H H 1 9.026 0.030 . 1 . . . . . 55 PHE H . 11499 1 616 . 1 1 55 55 PHE HA H 1 4.232 0.030 . 1 . . . . . 55 PHE HA . 11499 1 617 . 1 1 55 55 PHE HB2 H 1 3.480 0.030 . 2 . . . . . 55 PHE HB2 . 11499 1 618 . 1 1 55 55 PHE HB3 H 1 3.432 0.030 . 2 . . . . . 55 PHE HB3 . 11499 1 619 . 1 1 55 55 PHE HD1 H 1 7.291 0.030 . 3 . . . . . 55 PHE HD1 . 11499 1 620 . 1 1 55 55 PHE HD2 H 1 7.291 0.030 . 3 . . . . . 55 PHE HD2 . 11499 1 621 . 1 1 55 55 PHE C C 13 180.238 0.300 . 1 . . . . . 55 PHE C . 11499 1 622 . 1 1 55 55 PHE CA C 13 61.390 0.300 . 1 . . . . . 55 PHE CA . 11499 1 623 . 1 1 55 55 PHE CB C 13 40.794 0.300 . 1 . . . . . 55 PHE CB . 11499 1 624 . 1 1 55 55 PHE CD1 C 13 131.374 0.300 . 3 . . . . . 55 PHE CD1 . 11499 1 625 . 1 1 55 55 PHE CD2 C 13 131.374 0.300 . 3 . . . . . 55 PHE CD2 . 11499 1 626 . 1 1 55 55 PHE N N 15 119.867 0.300 . 1 . . . . . 55 PHE N . 11499 1 627 . 1 1 56 56 SER H H 1 9.184 0.030 . 1 . . . . . 56 SER H . 11499 1 628 . 1 1 56 56 SER HA H 1 4.082 0.030 . 1 . . . . . 56 SER HA . 11499 1 629 . 1 1 56 56 SER HB2 H 1 4.169 0.030 . 2 . . . . . 56 SER HB2 . 11499 1 630 . 1 1 56 56 SER HB3 H 1 4.135 0.030 . 2 . . . . . 56 SER HB3 . 11499 1 631 . 1 1 56 56 SER C C 13 175.856 0.300 . 1 . . . . . 56 SER C . 11499 1 632 . 1 1 56 56 SER CA C 13 61.428 0.300 . 1 . . . . . 56 SER CA . 11499 1 633 . 1 1 56 56 SER CB C 13 63.256 0.300 . 1 . . . . . 56 SER CB . 11499 1 634 . 1 1 56 56 SER N N 15 117.306 0.300 . 1 . . . . . 56 SER N . 11499 1 635 . 1 1 57 57 LYS H H 1 7.486 0.030 . 1 . . . . . 57 LYS H . 11499 1 636 . 1 1 57 57 LYS HA H 1 4.286 0.030 . 1 . . . . . 57 LYS HA . 11499 1 637 . 1 1 57 57 LYS HB2 H 1 2.062 0.030 . 2 . . . . . 57 LYS HB2 . 11499 1 638 . 1 1 57 57 LYS HB3 H 1 1.702 0.030 . 2 . . . . . 57 LYS HB3 . 11499 1 639 . 1 1 57 57 LYS HD2 H 1 1.512 0.030 . 2 . . . . . 57 LYS HD2 . 11499 1 640 . 1 1 57 57 LYS HD3 H 1 1.590 0.030 . 2 . . . . . 57 LYS HD3 . 11499 1 641 . 1 1 57 57 LYS HE2 H 1 3.055 0.030 . 2 . . . . . 57 LYS HE2 . 11499 1 642 . 1 1 57 57 LYS HE3 H 1 2.923 0.030 . 2 . . . . . 57 LYS HE3 . 11499 1 643 . 1 1 57 57 LYS HG2 H 1 1.620 0.030 . 2 . . . . . 57 LYS HG2 . 11499 1 644 . 1 1 57 57 LYS HG3 H 1 1.408 0.030 . 2 . . . . . 57 LYS HG3 . 11499 1 645 . 1 1 57 57 LYS C C 13 176.870 0.300 . 1 . . . . . 57 LYS C . 11499 1 646 . 1 1 57 57 LYS CA C 13 56.541 0.300 . 1 . . . . . 57 LYS CA . 11499 1 647 . 1 1 57 57 LYS CB C 13 33.745 0.300 . 1 . . . . . 57 LYS CB . 11499 1 648 . 1 1 57 57 LYS CD C 13 29.228 0.300 . 1 . . . . . 57 LYS CD . 11499 1 649 . 1 1 57 57 LYS CE C 13 42.230 0.300 . 1 . . . . . 57 LYS CE . 11499 1 650 . 1 1 57 57 LYS CG C 13 26.424 0.300 . 1 . . . . . 57 LYS CG . 11499 1 651 . 1 1 57 57 LYS N N 15 119.889 0.300 . 1 . . . . . 57 LYS N . 11499 1 652 . 1 1 58 58 GLY H H 1 7.778 0.030 . 1 . . . . . 58 GLY H . 11499 1 653 . 1 1 58 58 GLY HA2 H 1 3.910 0.030 . 2 . . . . . 58 GLY HA2 . 11499 1 654 . 1 1 58 58 GLY HA3 H 1 3.759 0.030 . 2 . . . . . 58 GLY HA3 . 11499 1 655 . 1 1 58 58 GLY C C 13 175.271 0.300 . 1 . . . . . 58 GLY C . 11499 1 656 . 1 1 58 58 GLY CA C 13 46.100 0.300 . 1 . . . . . 58 GLY CA . 11499 1 657 . 1 1 58 58 GLY N N 15 108.816 0.300 . 1 . . . . . 58 GLY N . 11499 1 658 . 1 1 59 59 LYS H H 1 7.880 0.030 . 1 . . . . . 59 LYS H . 11499 1 659 . 1 1 59 59 LYS HA H 1 4.155 0.030 . 1 . . . . . 59 LYS HA . 11499 1 660 . 1 1 59 59 LYS HB2 H 1 1.915 0.030 . 2 . . . . . 59 LYS HB2 . 11499 1 661 . 1 1 59 59 LYS HB3 H 1 1.533 0.030 . 2 . . . . . 59 LYS HB3 . 11499 1 662 . 1 1 59 59 LYS HD2 H 1 1.762 0.030 . 2 . . . . . 59 LYS HD2 . 11499 1 663 . 1 1 59 59 LYS HD3 H 1 1.666 0.030 . 2 . . . . . 59 LYS HD3 . 11499 1 664 . 1 1 59 59 LYS HE2 H 1 2.962 0.030 . 2 . . . . . 59 LYS HE2 . 11499 1 665 . 1 1 59 59 LYS HE3 H 1 2.962 0.030 . 2 . . . . . 59 LYS HE3 . 11499 1 666 . 1 1 59 59 LYS HG2 H 1 1.471 0.030 . 2 . . . . . 59 LYS HG2 . 11499 1 667 . 1 1 59 59 LYS HG3 H 1 1.532 0.030 . 2 . . . . . 59 LYS HG3 . 11499 1 668 . 1 1 59 59 LYS C C 13 176.636 0.300 . 1 . . . . . 59 LYS C . 11499 1 669 . 1 1 59 59 LYS CA C 13 56.660 0.300 . 1 . . . . . 59 LYS CA . 11499 1 670 . 1 1 59 59 LYS CB C 13 32.675 0.300 . 1 . . . . . 59 LYS CB . 11499 1 671 . 1 1 59 59 LYS CD C 13 29.216 0.300 . 1 . . . . . 59 LYS CD . 11499 1 672 . 1 1 59 59 LYS CE C 13 42.233 0.300 . 1 . . . . . 59 LYS CE . 11499 1 673 . 1 1 59 59 LYS CG C 13 25.817 0.300 . 1 . . . . . 59 LYS CG . 11499 1 674 . 1 1 59 59 LYS N N 15 118.742 0.300 . 1 . . . . . 59 LYS N . 11499 1 675 . 1 1 60 60 LYS H H 1 8.648 0.030 . 1 . . . . . 60 LYS H . 11499 1 676 . 1 1 60 60 LYS HA H 1 4.161 0.030 . 1 . . . . . 60 LYS HA . 11499 1 677 . 1 1 60 60 LYS HB2 H 1 1.959 0.030 . 2 . . . . . 60 LYS HB2 . 11499 1 678 . 1 1 60 60 LYS HB3 H 1 1.790 0.030 . 2 . . . . . 60 LYS HB3 . 11499 1 679 . 1 1 60 60 LYS HD2 H 1 1.640 0.030 . 2 . . . . . 60 LYS HD2 . 11499 1 680 . 1 1 60 60 LYS HD3 H 1 1.640 0.030 . 2 . . . . . 60 LYS HD3 . 11499 1 681 . 1 1 60 60 LYS HE2 H 1 2.968 0.030 . 2 . . . . . 60 LYS HE2 . 11499 1 682 . 1 1 60 60 LYS HE3 H 1 2.968 0.030 . 2 . . . . . 60 LYS HE3 . 11499 1 683 . 1 1 60 60 LYS HG2 H 1 1.419 0.030 . 2 . . . . . 60 LYS HG2 . 11499 1 684 . 1 1 60 60 LYS HG3 H 1 1.564 0.030 . 2 . . . . . 60 LYS HG3 . 11499 1 685 . 1 1 60 60 LYS C C 13 176.753 0.300 . 1 . . . . . 60 LYS C . 11499 1 686 . 1 1 60 60 LYS CA C 13 57.619 0.300 . 1 . . . . . 60 LYS CA . 11499 1 687 . 1 1 60 60 LYS CB C 13 33.151 0.300 . 1 . . . . . 60 LYS CB . 11499 1 688 . 1 1 60 60 LYS CD C 13 28.980 0.300 . 1 . . . . . 60 LYS CD . 11499 1 689 . 1 1 60 60 LYS CE C 13 42.233 0.300 . 1 . . . . . 60 LYS CE . 11499 1 690 . 1 1 60 60 LYS CG C 13 25.549 0.300 . 1 . . . . . 60 LYS CG . 11499 1 691 . 1 1 60 60 LYS N N 15 119.532 0.300 . 1 . . . . . 60 LYS N . 11499 1 692 . 1 1 61 61 ASN H H 1 7.630 0.030 . 1 . . . . . 61 ASN H . 11499 1 693 . 1 1 61 61 ASN HA H 1 5.571 0.030 . 1 . . . . . 61 ASN HA . 11499 1 694 . 1 1 61 61 ASN HB2 H 1 2.567 0.030 . 2 . . . . . 61 ASN HB2 . 11499 1 695 . 1 1 61 61 ASN HB3 H 1 2.945 0.030 . 2 . . . . . 61 ASN HB3 . 11499 1 696 . 1 1 61 61 ASN HD21 H 1 6.905 0.030 . 2 . . . . . 61 ASN HD21 . 11499 1 697 . 1 1 61 61 ASN HD22 H 1 7.555 0.030 . 2 . . . . . 61 ASN HD22 . 11499 1 698 . 1 1 61 61 ASN C C 13 173.593 0.300 . 1 . . . . . 61 ASN C . 11499 1 699 . 1 1 61 61 ASN CA C 13 51.920 0.300 . 1 . . . . . 61 ASN CA . 11499 1 700 . 1 1 61 61 ASN CB C 13 42.058 0.300 . 1 . . . . . 61 ASN CB . 11499 1 701 . 1 1 61 61 ASN N N 15 111.849 0.300 . 1 . . . . . 61 ASN N . 11499 1 702 . 1 1 61 61 ASN ND2 N 15 114.231 0.300 . 1 . . . . . 61 ASN ND2 . 11499 1 703 . 1 1 62 62 THR H H 1 8.533 0.030 . 1 . . . . . 62 THR H . 11499 1 704 . 1 1 62 62 THR HA H 1 4.580 0.030 . 1 . . . . . 62 THR HA . 11499 1 705 . 1 1 62 62 THR HB H 1 3.896 0.030 . 1 . . . . . 62 THR HB . 11499 1 706 . 1 1 62 62 THR HG21 H 1 0.877 0.030 . 1 . . . . . 62 THR HG2 . 11499 1 707 . 1 1 62 62 THR HG22 H 1 0.877 0.030 . 1 . . . . . 62 THR HG2 . 11499 1 708 . 1 1 62 62 THR HG23 H 1 0.877 0.030 . 1 . . . . . 62 THR HG2 . 11499 1 709 . 1 1 62 62 THR C C 13 171.058 0.300 . 1 . . . . . 62 THR C . 11499 1 710 . 1 1 62 62 THR CA C 13 60.565 0.300 . 1 . . . . . 62 THR CA . 11499 1 711 . 1 1 62 62 THR CB C 13 69.921 0.300 . 1 . . . . . 62 THR CB . 11499 1 712 . 1 1 62 62 THR CG2 C 13 19.256 0.300 . 1 . . . . . 62 THR CG2 . 11499 1 713 . 1 1 62 62 THR N N 15 112.573 0.300 . 1 . . . . . 62 THR N . 11499 1 714 . 1 1 63 63 GLU H H 1 8.054 0.030 . 1 . . . . . 63 GLU H . 11499 1 715 . 1 1 63 63 GLU HA H 1 5.360 0.030 . 1 . . . . . 63 GLU HA . 11499 1 716 . 1 1 63 63 GLU HB2 H 1 1.862 0.030 . 2 . . . . . 63 GLU HB2 . 11499 1 717 . 1 1 63 63 GLU HB3 H 1 1.901 0.030 . 2 . . . . . 63 GLU HB3 . 11499 1 718 . 1 1 63 63 GLU HG2 H 1 2.230 0.030 . 2 . . . . . 63 GLU HG2 . 11499 1 719 . 1 1 63 63 GLU HG3 H 1 2.079 0.030 . 2 . . . . . 63 GLU HG3 . 11499 1 720 . 1 1 63 63 GLU C C 13 175.830 0.300 . 1 . . . . . 63 GLU C . 11499 1 721 . 1 1 63 63 GLU CA C 13 55.045 0.300 . 1 . . . . . 63 GLU CA . 11499 1 722 . 1 1 63 63 GLU CB C 13 32.640 0.300 . 1 . . . . . 63 GLU CB . 11499 1 723 . 1 1 63 63 GLU CG C 13 37.041 0.300 . 1 . . . . . 63 GLU CG . 11499 1 724 . 1 1 63 63 GLU N N 15 123.751 0.300 . 1 . . . . . 63 GLU N . 11499 1 725 . 1 1 64 64 MET H H 1 9.017 0.030 . 1 . . . . . 64 MET H . 11499 1 726 . 1 1 64 64 MET HA H 1 4.708 0.030 . 1 . . . . . 64 MET HA . 11499 1 727 . 1 1 64 64 MET HB2 H 1 1.844 0.030 . 2 . . . . . 64 MET HB2 . 11499 1 728 . 1 1 64 64 MET HB3 H 1 1.844 0.030 . 2 . . . . . 64 MET HB3 . 11499 1 729 . 1 1 64 64 MET HE1 H 1 1.633 0.030 . 1 . . . . . 64 MET HE . 11499 1 730 . 1 1 64 64 MET HE2 H 1 1.633 0.030 . 1 . . . . . 64 MET HE . 11499 1 731 . 1 1 64 64 MET HE3 H 1 1.633 0.030 . 1 . . . . . 64 MET HE . 11499 1 732 . 1 1 64 64 MET HG2 H 1 2.227 0.030 . 2 . . . . . 64 MET HG2 . 11499 1 733 . 1 1 64 64 MET HG3 H 1 2.121 0.030 . 2 . . . . . 64 MET HG3 . 11499 1 734 . 1 1 64 64 MET C C 13 173.138 0.300 . 1 . . . . . 64 MET C . 11499 1 735 . 1 1 64 64 MET CA C 13 54.590 0.300 . 1 . . . . . 64 MET CA . 11499 1 736 . 1 1 64 64 MET CB C 13 35.410 0.300 . 1 . . . . . 64 MET CB . 11499 1 737 . 1 1 64 64 MET CE C 13 17.971 0.300 . 1 . . . . . 64 MET CE . 11499 1 738 . 1 1 64 64 MET CG C 13 31.246 0.300 . 1 . . . . . 64 MET CG . 11499 1 739 . 1 1 64 64 MET N N 15 119.920 0.300 . 1 . . . . . 64 MET N . 11499 1 740 . 1 1 65 65 LEU H H 1 8.759 0.030 . 1 . . . . . 65 LEU H . 11499 1 741 . 1 1 65 65 LEU HA H 1 5.051 0.030 . 1 . . . . . 65 LEU HA . 11499 1 742 . 1 1 65 65 LEU HB2 H 1 1.591 0.030 . 2 . . . . . 65 LEU HB2 . 11499 1 743 . 1 1 65 65 LEU HB3 H 1 1.418 0.030 . 2 . . . . . 65 LEU HB3 . 11499 1 744 . 1 1 65 65 LEU HD11 H 1 0.732 0.030 . 2 . . . . . 65 LEU HD1 . 11499 1 745 . 1 1 65 65 LEU HD12 H 1 0.732 0.030 . 2 . . . . . 65 LEU HD1 . 11499 1 746 . 1 1 65 65 LEU HD13 H 1 0.732 0.030 . 2 . . . . . 65 LEU HD1 . 11499 1 747 . 1 1 65 65 LEU HD21 H 1 0.683 0.030 . 2 . . . . . 65 LEU HD2 . 11499 1 748 . 1 1 65 65 LEU HD22 H 1 0.683 0.030 . 2 . . . . . 65 LEU HD2 . 11499 1 749 . 1 1 65 65 LEU HD23 H 1 0.683 0.030 . 2 . . . . . 65 LEU HD2 . 11499 1 750 . 1 1 65 65 LEU HG H 1 1.367 0.030 . 1 . . . . . 65 LEU HG . 11499 1 751 . 1 1 65 65 LEU C C 13 176.818 0.300 . 1 . . . . . 65 LEU C . 11499 1 752 . 1 1 65 65 LEU CA C 13 54.096 0.300 . 1 . . . . . 65 LEU CA . 11499 1 753 . 1 1 65 65 LEU CB C 13 43.235 0.300 . 1 . . . . . 65 LEU CB . 11499 1 754 . 1 1 65 65 LEU CD1 C 13 24.983 0.300 . 2 . . . . . 65 LEU CD1 . 11499 1 755 . 1 1 65 65 LEU CD2 C 13 23.989 0.300 . 2 . . . . . 65 LEU CD2 . 11499 1 756 . 1 1 65 65 LEU CG C 13 27.227 0.300 . 1 . . . . . 65 LEU CG . 11499 1 757 . 1 1 65 65 LEU N N 15 125.797 0.300 . 1 . . . . . 65 LEU N . 11499 1 758 . 1 1 66 66 ILE H H 1 9.271 0.030 . 1 . . . . . 66 ILE H . 11499 1 759 . 1 1 66 66 ILE HA H 1 4.229 0.030 . 1 . . . . . 66 ILE HA . 11499 1 760 . 1 1 66 66 ILE HB H 1 1.827 0.030 . 1 . . . . . 66 ILE HB . 11499 1 761 . 1 1 66 66 ILE HD11 H 1 0.408 0.030 . 1 . . . . . 66 ILE HD1 . 11499 1 762 . 1 1 66 66 ILE HD12 H 1 0.408 0.030 . 1 . . . . . 66 ILE HD1 . 11499 1 763 . 1 1 66 66 ILE HD13 H 1 0.408 0.030 . 1 . . . . . 66 ILE HD1 . 11499 1 764 . 1 1 66 66 ILE HG12 H 1 1.240 0.030 . 2 . . . . . 66 ILE HG12 . 11499 1 765 . 1 1 66 66 ILE HG13 H 1 0.884 0.030 . 2 . . . . . 66 ILE HG13 . 11499 1 766 . 1 1 66 66 ILE HG21 H 1 0.773 0.030 . 1 . . . . . 66 ILE HG2 . 11499 1 767 . 1 1 66 66 ILE HG22 H 1 0.773 0.030 . 1 . . . . . 66 ILE HG2 . 11499 1 768 . 1 1 66 66 ILE HG23 H 1 0.773 0.030 . 1 . . . . . 66 ILE HG2 . 11499 1 769 . 1 1 66 66 ILE C C 13 176.129 0.300 . 1 . . . . . 66 ILE C . 11499 1 770 . 1 1 66 66 ILE CA C 13 61.333 0.300 . 1 . . . . . 66 ILE CA . 11499 1 771 . 1 1 66 66 ILE CB C 13 39.993 0.300 . 1 . . . . . 66 ILE CB . 11499 1 772 . 1 1 66 66 ILE CD1 C 13 12.912 0.300 . 1 . . . . . 66 ILE CD1 . 11499 1 773 . 1 1 66 66 ILE CG1 C 13 26.457 0.300 . 1 . . . . . 66 ILE CG1 . 11499 1 774 . 1 1 66 66 ILE CG2 C 13 17.004 0.300 . 1 . . . . . 66 ILE CG2 . 11499 1 775 . 1 1 66 66 ILE N N 15 126.122 0.300 . 1 . . . . . 66 ILE N . 11499 1 776 . 1 1 67 67 ALA H H 1 9.440 0.030 . 1 . . . . . 67 ALA H . 11499 1 777 . 1 1 67 67 ALA HA H 1 4.001 0.030 . 1 . . . . . 67 ALA HA . 11499 1 778 . 1 1 67 67 ALA HB1 H 1 1.493 0.030 . 1 . . . . . 67 ALA HB . 11499 1 779 . 1 1 67 67 ALA HB2 H 1 1.493 0.030 . 1 . . . . . 67 ALA HB . 11499 1 780 . 1 1 67 67 ALA HB3 H 1 1.493 0.030 . 1 . . . . . 67 ALA HB . 11499 1 781 . 1 1 67 67 ALA C C 13 176.571 0.300 . 1 . . . . . 67 ALA C . 11499 1 782 . 1 1 67 67 ALA CA C 13 52.928 0.300 . 1 . . . . . 67 ALA CA . 11499 1 783 . 1 1 67 67 ALA CB C 13 17.462 0.300 . 1 . . . . . 67 ALA CB . 11499 1 784 . 1 1 67 67 ALA N N 15 132.723 0.300 . 1 . . . . . 67 ALA N . 11499 1 785 . 1 1 68 68 GLY H H 1 8.151 0.030 . 1 . . . . . 68 GLY H . 11499 1 786 . 1 1 68 68 GLY HA2 H 1 3.941 0.030 . 2 . . . . . 68 GLY HA2 . 11499 1 787 . 1 1 68 68 GLY HA3 H 1 3.361 0.030 . 2 . . . . . 68 GLY HA3 . 11499 1 788 . 1 1 68 68 GLY C C 13 173.801 0.300 . 1 . . . . . 68 GLY C . 11499 1 789 . 1 1 68 68 GLY CA C 13 45.154 0.300 . 1 . . . . . 68 GLY CA . 11499 1 790 . 1 1 68 68 GLY N N 15 101.350 0.300 . 1 . . . . . 68 GLY N . 11499 1 791 . 1 1 69 69 PHE H H 1 8.007 0.030 . 1 . . . . . 69 PHE H . 11499 1 792 . 1 1 69 69 PHE HA H 1 4.772 0.030 . 1 . . . . . 69 PHE HA . 11499 1 793 . 1 1 69 69 PHE HB2 H 1 2.974 0.030 . 2 . . . . . 69 PHE HB2 . 11499 1 794 . 1 1 69 69 PHE HB3 H 1 2.679 0.030 . 2 . . . . . 69 PHE HB3 . 11499 1 795 . 1 1 69 69 PHE HD1 H 1 7.310 0.030 . 3 . . . . . 69 PHE HD1 . 11499 1 796 . 1 1 69 69 PHE HD2 H 1 7.310 0.030 . 3 . . . . . 69 PHE HD2 . 11499 1 797 . 1 1 69 69 PHE C C 13 173.788 0.300 . 1 . . . . . 69 PHE C . 11499 1 798 . 1 1 69 69 PHE CA C 13 56.680 0.300 . 1 . . . . . 69 PHE CA . 11499 1 799 . 1 1 69 69 PHE CB C 13 42.502 0.300 . 1 . . . . . 69 PHE CB . 11499 1 800 . 1 1 69 69 PHE CD1 C 13 132.081 0.300 . 3 . . . . . 69 PHE CD1 . 11499 1 801 . 1 1 69 69 PHE CD2 C 13 132.081 0.300 . 3 . . . . . 69 PHE CD2 . 11499 1 802 . 1 1 69 69 PHE N N 15 119.468 0.300 . 1 . . . . . 69 PHE N . 11499 1 803 . 1 1 70 70 LEU H H 1 8.434 0.030 . 1 . . . . . 70 LEU H . 11499 1 804 . 1 1 70 70 LEU HA H 1 4.847 0.030 . 1 . . . . . 70 LEU HA . 11499 1 805 . 1 1 70 70 LEU HB2 H 1 1.531 0.030 . 2 . . . . . 70 LEU HB2 . 11499 1 806 . 1 1 70 70 LEU HB3 H 1 1.468 0.030 . 2 . . . . . 70 LEU HB3 . 11499 1 807 . 1 1 70 70 LEU HD11 H 1 0.826 0.030 . 2 . . . . . 70 LEU HD1 . 11499 1 808 . 1 1 70 70 LEU HD12 H 1 0.826 0.030 . 2 . . . . . 70 LEU HD1 . 11499 1 809 . 1 1 70 70 LEU HD13 H 1 0.826 0.030 . 2 . . . . . 70 LEU HD1 . 11499 1 810 . 1 1 70 70 LEU HD21 H 1 0.786 0.030 . 2 . . . . . 70 LEU HD2 . 11499 1 811 . 1 1 70 70 LEU HD22 H 1 0.786 0.030 . 2 . . . . . 70 LEU HD2 . 11499 1 812 . 1 1 70 70 LEU HD23 H 1 0.786 0.030 . 2 . . . . . 70 LEU HD2 . 11499 1 813 . 1 1 70 70 LEU HG H 1 1.440 0.030 . 1 . . . . . 70 LEU HG . 11499 1 814 . 1 1 70 70 LEU C C 13 176.558 0.300 . 1 . . . . . 70 LEU C . 11499 1 815 . 1 1 70 70 LEU CA C 13 54.882 0.300 . 1 . . . . . 70 LEU CA . 11499 1 816 . 1 1 70 70 LEU CB C 13 43.289 0.300 . 1 . . . . . 70 LEU CB . 11499 1 817 . 1 1 70 70 LEU CD1 C 13 24.294 0.300 . 2 . . . . . 70 LEU CD1 . 11499 1 818 . 1 1 70 70 LEU CD2 C 13 24.774 0.300 . 2 . . . . . 70 LEU CD2 . 11499 1 819 . 1 1 70 70 LEU CG C 13 27.184 0.300 . 1 . . . . . 70 LEU CG . 11499 1 820 . 1 1 70 70 LEU N N 15 123.125 0.300 . 1 . . . . . 70 LEU N . 11499 1 821 . 1 1 71 71 TYR H H 1 9.585 0.030 . 1 . . . . . 71 TYR H . 11499 1 822 . 1 1 71 71 TYR HA H 1 4.831 0.030 . 1 . . . . . 71 TYR HA . 11499 1 823 . 1 1 71 71 TYR HB2 H 1 2.717 0.030 . 2 . . . . . 71 TYR HB2 . 11499 1 824 . 1 1 71 71 TYR HB3 H 1 2.510 0.030 . 2 . . . . . 71 TYR HB3 . 11499 1 825 . 1 1 71 71 TYR HD1 H 1 6.955 0.030 . 3 . . . . . 71 TYR HD1 . 11499 1 826 . 1 1 71 71 TYR HD2 H 1 6.955 0.030 . 3 . . . . . 71 TYR HD2 . 11499 1 827 . 1 1 71 71 TYR HE1 H 1 6.920 0.030 . 3 . . . . . 71 TYR HE1 . 11499 1 828 . 1 1 71 71 TYR HE2 H 1 6.920 0.030 . 3 . . . . . 71 TYR HE2 . 11499 1 829 . 1 1 71 71 TYR C C 13 174.243 0.300 . 1 . . . . . 71 TYR C . 11499 1 830 . 1 1 71 71 TYR CA C 13 57.205 0.300 . 1 . . . . . 71 TYR CA . 11499 1 831 . 1 1 71 71 TYR CB C 13 42.291 0.300 . 1 . . . . . 71 TYR CB . 11499 1 832 . 1 1 71 71 TYR CD1 C 13 133.308 0.300 . 3 . . . . . 71 TYR CD1 . 11499 1 833 . 1 1 71 71 TYR CD2 C 13 133.308 0.300 . 3 . . . . . 71 TYR CD2 . 11499 1 834 . 1 1 71 71 TYR CE1 C 13 118.559 0.300 . 3 . . . . . 71 TYR CE1 . 11499 1 835 . 1 1 71 71 TYR CE2 C 13 118.559 0.300 . 3 . . . . . 71 TYR CE2 . 11499 1 836 . 1 1 71 71 TYR N N 15 126.408 0.300 . 1 . . . . . 71 TYR N . 11499 1 837 . 1 1 72 72 VAL H H 1 9.013 0.030 . 1 . . . . . 72 VAL H . 11499 1 838 . 1 1 72 72 VAL HA H 1 4.241 0.030 . 1 . . . . . 72 VAL HA . 11499 1 839 . 1 1 72 72 VAL HB H 1 0.855 0.030 . 1 . . . . . 72 VAL HB . 11499 1 840 . 1 1 72 72 VAL HG11 H 1 0.707 0.030 . 2 . . . . . 72 VAL HG1 . 11499 1 841 . 1 1 72 72 VAL HG12 H 1 0.707 0.030 . 2 . . . . . 72 VAL HG1 . 11499 1 842 . 1 1 72 72 VAL HG13 H 1 0.707 0.030 . 2 . . . . . 72 VAL HG1 . 11499 1 843 . 1 1 72 72 VAL HG21 H 1 0.664 0.030 . 2 . . . . . 72 VAL HG2 . 11499 1 844 . 1 1 72 72 VAL HG22 H 1 0.664 0.030 . 2 . . . . . 72 VAL HG2 . 11499 1 845 . 1 1 72 72 VAL HG23 H 1 0.664 0.030 . 2 . . . . . 72 VAL HG2 . 11499 1 846 . 1 1 72 72 VAL C C 13 174.842 0.300 . 1 . . . . . 72 VAL C . 11499 1 847 . 1 1 72 72 VAL CA C 13 61.367 0.300 . 1 . . . . . 72 VAL CA . 11499 1 848 . 1 1 72 72 VAL CB C 13 33.497 0.300 . 1 . . . . . 72 VAL CB . 11499 1 849 . 1 1 72 72 VAL CG1 C 13 21.310 0.300 . 2 . . . . . 72 VAL CG1 . 11499 1 850 . 1 1 72 72 VAL CG2 C 13 20.685 0.300 . 2 . . . . . 72 VAL CG2 . 11499 1 851 . 1 1 72 72 VAL N N 15 120.454 0.300 . 1 . . . . . 72 VAL N . 11499 1 852 . 1 1 73 73 ALA H H 1 8.710 0.030 . 1 . . . . . 73 ALA H . 11499 1 853 . 1 1 73 73 ALA HA H 1 4.764 0.030 . 1 . . . . . 73 ALA HA . 11499 1 854 . 1 1 73 73 ALA HB1 H 1 0.974 0.030 . 1 . . . . . 73 ALA HB . 11499 1 855 . 1 1 73 73 ALA HB2 H 1 0.974 0.030 . 1 . . . . . 73 ALA HB . 11499 1 856 . 1 1 73 73 ALA HB3 H 1 0.974 0.030 . 1 . . . . . 73 ALA HB . 11499 1 857 . 1 1 73 73 ALA C C 13 174.764 0.300 . 1 . . . . . 73 ALA C . 11499 1 858 . 1 1 73 73 ALA CA C 13 50.470 0.300 . 1 . . . . . 73 ALA CA . 11499 1 859 . 1 1 73 73 ALA CB C 13 19.925 0.300 . 1 . . . . . 73 ALA CB . 11499 1 860 . 1 1 73 73 ALA N N 15 127.132 0.300 . 1 . . . . . 73 ALA N . 11499 1 861 . 1 1 74 74 ASP H H 1 9.252 0.030 . 1 . . . . . 74 ASP H . 11499 1 862 . 1 1 74 74 ASP HA H 1 4.951 0.030 . 1 . . . . . 74 ASP HA . 11499 1 863 . 1 1 74 74 ASP HB2 H 1 3.391 0.030 . 2 . . . . . 74 ASP HB2 . 11499 1 864 . 1 1 74 74 ASP HB3 H 1 2.706 0.030 . 2 . . . . . 74 ASP HB3 . 11499 1 865 . 1 1 74 74 ASP C C 13 177.273 0.300 . 1 . . . . . 74 ASP C . 11499 1 866 . 1 1 74 74 ASP CA C 13 52.588 0.300 . 1 . . . . . 74 ASP CA . 11499 1 867 . 1 1 74 74 ASP CB C 13 41.706 0.300 . 1 . . . . . 74 ASP CB . 11499 1 868 . 1 1 74 74 ASP N N 15 123.927 0.300 . 1 . . . . . 74 ASP N . 11499 1 869 . 1 1 75 75 LEU H H 1 8.537 0.030 . 1 . . . . . 75 LEU H . 11499 1 870 . 1 1 75 75 LEU HA H 1 4.586 0.030 . 1 . . . . . 75 LEU HA . 11499 1 871 . 1 1 75 75 LEU HB2 H 1 1.890 0.030 . 2 . . . . . 75 LEU HB2 . 11499 1 872 . 1 1 75 75 LEU HB3 H 1 1.837 0.030 . 2 . . . . . 75 LEU HB3 . 11499 1 873 . 1 1 75 75 LEU HD11 H 1 0.780 0.030 . 2 . . . . . 75 LEU HD1 . 11499 1 874 . 1 1 75 75 LEU HD12 H 1 0.780 0.030 . 2 . . . . . 75 LEU HD1 . 11499 1 875 . 1 1 75 75 LEU HD13 H 1 0.780 0.030 . 2 . . . . . 75 LEU HD1 . 11499 1 876 . 1 1 75 75 LEU HD21 H 1 0.819 0.030 . 2 . . . . . 75 LEU HD2 . 11499 1 877 . 1 1 75 75 LEU HD22 H 1 0.819 0.030 . 2 . . . . . 75 LEU HD2 . 11499 1 878 . 1 1 75 75 LEU HD23 H 1 0.819 0.030 . 2 . . . . . 75 LEU HD2 . 11499 1 879 . 1 1 75 75 LEU HG H 1 1.579 0.030 . 1 . . . . . 75 LEU HG . 11499 1 880 . 1 1 75 75 LEU C C 13 177.338 0.300 . 1 . . . . . 75 LEU C . 11499 1 881 . 1 1 75 75 LEU CA C 13 55.863 0.300 . 1 . . . . . 75 LEU CA . 11499 1 882 . 1 1 75 75 LEU CB C 13 40.860 0.300 . 1 . . . . . 75 LEU CB . 11499 1 883 . 1 1 75 75 LEU CD1 C 13 25.538 0.300 . 2 . . . . . 75 LEU CD1 . 11499 1 884 . 1 1 75 75 LEU CD2 C 13 24.102 0.300 . 2 . . . . . 75 LEU CD2 . 11499 1 885 . 1 1 75 75 LEU CG C 13 28.187 0.300 . 1 . . . . . 75 LEU CG . 11499 1 886 . 1 1 75 75 LEU N N 15 124.853 0.300 . 1 . . . . . 75 LEU N . 11499 1 887 . 1 1 76 76 GLU H H 1 8.493 0.030 . 1 . . . . . 76 GLU H . 11499 1 888 . 1 1 76 76 GLU HA H 1 4.395 0.030 . 1 . . . . . 76 GLU HA . 11499 1 889 . 1 1 76 76 GLU HB2 H 1 2.237 0.030 . 2 . . . . . 76 GLU HB2 . 11499 1 890 . 1 1 76 76 GLU HB3 H 1 2.160 0.030 . 2 . . . . . 76 GLU HB3 . 11499 1 891 . 1 1 76 76 GLU HG2 H 1 2.166 0.030 . 2 . . . . . 76 GLU HG2 . 11499 1 892 . 1 1 76 76 GLU HG3 H 1 2.375 0.030 . 2 . . . . . 76 GLU HG3 . 11499 1 893 . 1 1 76 76 GLU C C 13 177.820 0.300 . 1 . . . . . 76 GLU C . 11499 1 894 . 1 1 76 76 GLU CA C 13 58.573 0.300 . 1 . . . . . 76 GLU CA . 11499 1 895 . 1 1 76 76 GLU CB C 13 30.699 0.300 . 1 . . . . . 76 GLU CB . 11499 1 896 . 1 1 76 76 GLU CG C 13 36.718 0.300 . 1 . . . . . 76 GLU CG . 11499 1 897 . 1 1 76 76 GLU N N 15 120.465 0.300 . 1 . . . . . 76 GLU N . 11499 1 898 . 1 1 77 77 ASN H H 1 8.377 0.030 . 1 . . . . . 77 ASN H . 11499 1 899 . 1 1 77 77 ASN HA H 1 4.777 0.030 . 1 . . . . . 77 ASN HA . 11499 1 900 . 1 1 77 77 ASN HB2 H 1 2.820 0.030 . 2 . . . . . 77 ASN HB2 . 11499 1 901 . 1 1 77 77 ASN HB3 H 1 2.440 0.030 . 2 . . . . . 77 ASN HB3 . 11499 1 902 . 1 1 77 77 ASN HD21 H 1 9.123 0.030 . 2 . . . . . 77 ASN HD21 . 11499 1 903 . 1 1 77 77 ASN HD22 H 1 7.200 0.030 . 2 . . . . . 77 ASN HD22 . 11499 1 904 . 1 1 77 77 ASN C C 13 173.697 0.300 . 1 . . . . . 77 ASN C . 11499 1 905 . 1 1 77 77 ASN CA C 13 53.477 0.300 . 1 . . . . . 77 ASN CA . 11499 1 906 . 1 1 77 77 ASN CB C 13 39.907 0.300 . 1 . . . . . 77 ASN CB . 11499 1 907 . 1 1 77 77 ASN N N 15 114.989 0.300 . 1 . . . . . 77 ASN N . 11499 1 908 . 1 1 77 77 ASN ND2 N 15 119.363 0.300 . 1 . . . . . 77 ASN ND2 . 11499 1 909 . 1 1 78 78 MET H H 1 8.039 0.030 . 1 . . . . . 78 MET H . 11499 1 910 . 1 1 78 78 MET HA H 1 4.472 0.030 . 1 . . . . . 78 MET HA . 11499 1 911 . 1 1 78 78 MET HB2 H 1 2.510 0.030 . 2 . . . . . 78 MET HB2 . 11499 1 912 . 1 1 78 78 MET HB3 H 1 2.448 0.030 . 2 . . . . . 78 MET HB3 . 11499 1 913 . 1 1 78 78 MET HE1 H 1 2.182 0.030 . 1 . . . . . 78 MET HE . 11499 1 914 . 1 1 78 78 MET HE2 H 1 2.182 0.030 . 1 . . . . . 78 MET HE . 11499 1 915 . 1 1 78 78 MET HE3 H 1 2.182 0.030 . 1 . . . . . 78 MET HE . 11499 1 916 . 1 1 78 78 MET HG2 H 1 2.855 0.030 . 2 . . . . . 78 MET HG2 . 11499 1 917 . 1 1 78 78 MET HG3 H 1 2.510 0.030 . 2 . . . . . 78 MET HG3 . 11499 1 918 . 1 1 78 78 MET C C 13 176.298 0.300 . 1 . . . . . 78 MET C . 11499 1 919 . 1 1 78 78 MET CA C 13 55.471 0.300 . 1 . . . . . 78 MET CA . 11499 1 920 . 1 1 78 78 MET CB C 13 27.609 0.300 . 1 . . . . . 78 MET CB . 11499 1 921 . 1 1 78 78 MET CE C 13 17.811 0.300 . 1 . . . . . 78 MET CE . 11499 1 922 . 1 1 78 78 MET CG C 13 33.297 0.300 . 1 . . . . . 78 MET CG . 11499 1 923 . 1 1 78 78 MET N N 15 118.852 0.300 . 1 . . . . . 78 MET N . 11499 1 924 . 1 1 79 79 VAL H H 1 8.299 0.030 . 1 . . . . . 79 VAL H . 11499 1 925 . 1 1 79 79 VAL HA H 1 5.471 0.030 . 1 . . . . . 79 VAL HA . 11499 1 926 . 1 1 79 79 VAL HB H 1 2.110 0.030 . 1 . . . . . 79 VAL HB . 11499 1 927 . 1 1 79 79 VAL HG11 H 1 1.010 0.030 . 2 . . . . . 79 VAL HG1 . 11499 1 928 . 1 1 79 79 VAL HG12 H 1 1.010 0.030 . 2 . . . . . 79 VAL HG1 . 11499 1 929 . 1 1 79 79 VAL HG13 H 1 1.010 0.030 . 2 . . . . . 79 VAL HG1 . 11499 1 930 . 1 1 79 79 VAL HG21 H 1 1.000 0.030 . 2 . . . . . 79 VAL HG2 . 11499 1 931 . 1 1 79 79 VAL HG22 H 1 1.000 0.030 . 2 . . . . . 79 VAL HG2 . 11499 1 932 . 1 1 79 79 VAL HG23 H 1 1.000 0.030 . 2 . . . . . 79 VAL HG2 . 11499 1 933 . 1 1 79 79 VAL C C 13 173.398 0.300 . 1 . . . . . 79 VAL C . 11499 1 934 . 1 1 79 79 VAL CA C 13 59.527 0.300 . 1 . . . . . 79 VAL CA . 11499 1 935 . 1 1 79 79 VAL CB C 13 37.510 0.300 . 1 . . . . . 79 VAL CB . 11499 1 936 . 1 1 79 79 VAL CG1 C 13 22.123 0.300 . 2 . . . . . 79 VAL CG1 . 11499 1 937 . 1 1 79 79 VAL CG2 C 13 20.013 0.300 . 2 . . . . . 79 VAL CG2 . 11499 1 938 . 1 1 79 79 VAL N N 15 112.950 0.300 . 1 . . . . . 79 VAL N . 11499 1 939 . 1 1 80 80 GLN H H 1 9.662 0.030 . 1 . . . . . 80 GLN H . 11499 1 940 . 1 1 80 80 GLN HA H 1 5.892 0.030 . 1 . . . . . 80 GLN HA . 11499 1 941 . 1 1 80 80 GLN HB2 H 1 1.976 0.030 . 2 . . . . . 80 GLN HB2 . 11499 1 942 . 1 1 80 80 GLN HB3 H 1 1.976 0.030 . 2 . . . . . 80 GLN HB3 . 11499 1 943 . 1 1 80 80 GLN HE21 H 1 5.601 0.030 . 2 . . . . . 80 GLN HE21 . 11499 1 944 . 1 1 80 80 GLN HE22 H 1 6.797 0.030 . 2 . . . . . 80 GLN HE22 . 11499 1 945 . 1 1 80 80 GLN HG2 H 1 2.247 0.030 . 2 . . . . . 80 GLN HG2 . 11499 1 946 . 1 1 80 80 GLN HG3 H 1 2.180 0.030 . 2 . . . . . 80 GLN HG3 . 11499 1 947 . 1 1 80 80 GLN C C 13 175.414 0.300 . 1 . . . . . 80 GLN C . 11499 1 948 . 1 1 80 80 GLN CA C 13 53.539 0.300 . 1 . . . . . 80 GLN CA . 11499 1 949 . 1 1 80 80 GLN CB C 13 32.968 0.300 . 1 . . . . . 80 GLN CB . 11499 1 950 . 1 1 80 80 GLN CG C 13 33.661 0.300 . 1 . . . . . 80 GLN CG . 11499 1 951 . 1 1 80 80 GLN N N 15 120.119 0.300 . 1 . . . . . 80 GLN N . 11499 1 952 . 1 1 80 80 GLN NE2 N 15 108.764 0.300 . 1 . . . . . 80 GLN NE2 . 11499 1 953 . 1 1 81 81 TYR H H 1 8.751 0.030 . 1 . . . . . 81 TYR H . 11499 1 954 . 1 1 81 81 TYR HA H 1 5.289 0.030 . 1 . . . . . 81 TYR HA . 11499 1 955 . 1 1 81 81 TYR HB2 H 1 3.154 0.030 . 2 . . . . . 81 TYR HB2 . 11499 1 956 . 1 1 81 81 TYR HB3 H 1 3.094 0.030 . 2 . . . . . 81 TYR HB3 . 11499 1 957 . 1 1 81 81 TYR HD1 H 1 6.805 0.030 . 3 . . . . . 81 TYR HD1 . 11499 1 958 . 1 1 81 81 TYR HD2 H 1 6.805 0.030 . 3 . . . . . 81 TYR HD2 . 11499 1 959 . 1 1 81 81 TYR HE1 H 1 6.658 0.030 . 3 . . . . . 81 TYR HE1 . 11499 1 960 . 1 1 81 81 TYR HE2 H 1 6.658 0.030 . 3 . . . . . 81 TYR HE2 . 11499 1 961 . 1 1 81 81 TYR C C 13 173.762 0.300 . 1 . . . . . 81 TYR C . 11499 1 962 . 1 1 81 81 TYR CA C 13 55.948 0.300 . 1 . . . . . 81 TYR CA . 11499 1 963 . 1 1 81 81 TYR CB C 13 40.154 0.300 . 1 . . . . . 81 TYR CB . 11499 1 964 . 1 1 81 81 TYR CD1 C 13 134.160 0.300 . 3 . . . . . 81 TYR CD1 . 11499 1 965 . 1 1 81 81 TYR CD2 C 13 134.160 0.300 . 3 . . . . . 81 TYR CD2 . 11499 1 966 . 1 1 81 81 TYR CE1 C 13 117.308 0.300 . 3 . . . . . 81 TYR CE1 . 11499 1 967 . 1 1 81 81 TYR CE2 C 13 117.308 0.300 . 3 . . . . . 81 TYR CE2 . 11499 1 968 . 1 1 81 81 TYR N N 15 119.119 0.300 . 1 . . . . . 81 TYR N . 11499 1 969 . 1 1 82 82 ARG H H 1 8.879 0.030 . 1 . . . . . 82 ARG H . 11499 1 970 . 1 1 82 82 ARG HA H 1 4.010 0.030 . 1 . . . . . 82 ARG HA . 11499 1 971 . 1 1 82 82 ARG HB2 H 1 1.760 0.030 . 2 . . . . . 82 ARG HB2 . 11499 1 972 . 1 1 82 82 ARG HB3 H 1 1.627 0.030 . 2 . . . . . 82 ARG HB3 . 11499 1 973 . 1 1 82 82 ARG HD2 H 1 2.654 0.030 . 2 . . . . . 82 ARG HD2 . 11499 1 974 . 1 1 82 82 ARG HD3 H 1 2.654 0.030 . 2 . . . . . 82 ARG HD3 . 11499 1 975 . 1 1 82 82 ARG HE H 1 6.677 0.030 . 1 . . . . . 82 ARG HE . 11499 1 976 . 1 1 82 82 ARG HG2 H 1 1.063 0.030 . 2 . . . . . 82 ARG HG2 . 11499 1 977 . 1 1 82 82 ARG HG3 H 1 1.328 0.030 . 2 . . . . . 82 ARG HG3 . 11499 1 978 . 1 1 82 82 ARG C C 13 177.052 0.300 . 1 . . . . . 82 ARG C . 11499 1 979 . 1 1 82 82 ARG CA C 13 56.154 0.300 . 1 . . . . . 82 ARG CA . 11499 1 980 . 1 1 82 82 ARG CB C 13 30.603 0.300 . 1 . . . . . 82 ARG CB . 11499 1 981 . 1 1 82 82 ARG CD C 13 43.261 0.300 . 1 . . . . . 82 ARG CD . 11499 1 982 . 1 1 82 82 ARG CG C 13 27.640 0.300 . 1 . . . . . 82 ARG CG . 11499 1 983 . 1 1 82 82 ARG N N 15 121.523 0.300 . 1 . . . . . 82 ARG N . 11499 1 984 . 1 1 82 82 ARG NE N 15 117.582 0.300 . 1 . . . . . 82 ARG NE . 11499 1 985 . 1 1 83 83 ARG H H 1 8.447 0.030 . 1 . . . . . 83 ARG H . 11499 1 986 . 1 1 83 83 ARG HA H 1 3.961 0.030 . 1 . . . . . 83 ARG HA . 11499 1 987 . 1 1 83 83 ARG HB2 H 1 1.727 0.030 . 2 . . . . . 83 ARG HB2 . 11499 1 988 . 1 1 83 83 ARG HB3 H 1 1.518 0.030 . 2 . . . . . 83 ARG HB3 . 11499 1 989 . 1 1 83 83 ARG HD2 H 1 3.113 0.030 . 2 . . . . . 83 ARG HD2 . 11499 1 990 . 1 1 83 83 ARG HD3 H 1 3.113 0.030 . 2 . . . . . 83 ARG HD3 . 11499 1 991 . 1 1 83 83 ARG HG2 H 1 1.621 0.030 . 2 . . . . . 83 ARG HG2 . 11499 1 992 . 1 1 83 83 ARG HG3 H 1 1.621 0.030 . 2 . . . . . 83 ARG HG3 . 11499 1 993 . 1 1 83 83 ARG C C 13 176.740 0.300 . 1 . . . . . 83 ARG C . 11499 1 994 . 1 1 83 83 ARG CA C 13 59.019 0.300 . 1 . . . . . 83 ARG CA . 11499 1 995 . 1 1 83 83 ARG CB C 13 30.485 0.300 . 1 . . . . . 83 ARG CB . 11499 1 996 . 1 1 83 83 ARG CD C 13 43.484 0.300 . 1 . . . . . 83 ARG CD . 11499 1 997 . 1 1 83 83 ARG CG C 13 27.396 0.300 . 1 . . . . . 83 ARG CG . 11499 1 998 . 1 1 83 83 ARG N N 15 124.222 0.300 . 1 . . . . . 83 ARG N . 11499 1 999 . 1 1 84 84 ASN H H 1 8.700 0.030 . 1 . . . . . 84 ASN H . 11499 1 1000 . 1 1 84 84 ASN HA H 1 4.590 0.030 . 1 . . . . . 84 ASN HA . 11499 1 1001 . 1 1 84 84 ASN HB2 H 1 2.990 0.030 . 2 . . . . . 84 ASN HB2 . 11499 1 1002 . 1 1 84 84 ASN HB3 H 1 2.949 0.030 . 2 . . . . . 84 ASN HB3 . 11499 1 1003 . 1 1 84 84 ASN HD21 H 1 7.618 0.030 . 2 . . . . . 84 ASN HD21 . 11499 1 1004 . 1 1 84 84 ASN HD22 H 1 6.839 0.030 . 2 . . . . . 84 ASN HD22 . 11499 1 1005 . 1 1 84 84 ASN C C 13 174.556 0.300 . 1 . . . . . 84 ASN C . 11499 1 1006 . 1 1 84 84 ASN CA C 13 53.766 0.300 . 1 . . . . . 84 ASN CA . 11499 1 1007 . 1 1 84 84 ASN CB C 13 38.052 0.300 . 1 . . . . . 84 ASN CB . 11499 1 1008 . 1 1 84 84 ASN N N 15 114.873 0.300 . 1 . . . . . 84 ASN N . 11499 1 1009 . 1 1 84 84 ASN ND2 N 15 112.166 0.300 . 1 . . . . . 84 ASN ND2 . 11499 1 1010 . 1 1 85 85 GLU H H 1 7.764 0.030 . 1 . . . . . 85 GLU H . 11499 1 1011 . 1 1 85 85 GLU HA H 1 4.424 0.030 . 1 . . . . . 85 GLU HA . 11499 1 1012 . 1 1 85 85 GLU HB2 H 1 2.049 0.030 . 2 . . . . . 85 GLU HB2 . 11499 1 1013 . 1 1 85 85 GLU HB3 H 1 1.809 0.030 . 2 . . . . . 85 GLU HB3 . 11499 1 1014 . 1 1 85 85 GLU HG2 H 1 2.134 0.030 . 2 . . . . . 85 GLU HG2 . 11499 1 1015 . 1 1 85 85 GLU HG3 H 1 2.134 0.030 . 2 . . . . . 85 GLU HG3 . 11499 1 1016 . 1 1 85 85 GLU C C 13 175.583 0.300 . 1 . . . . . 85 GLU C . 11499 1 1017 . 1 1 85 85 GLU CA C 13 55.757 0.300 . 1 . . . . . 85 GLU CA . 11499 1 1018 . 1 1 85 85 GLU CB C 13 30.770 0.300 . 1 . . . . . 85 GLU CB . 11499 1 1019 . 1 1 85 85 GLU CG C 13 36.333 0.300 . 1 . . . . . 85 GLU CG . 11499 1 1020 . 1 1 85 85 GLU N N 15 119.119 0.300 . 1 . . . . . 85 GLU N . 11499 1 1021 . 1 1 86 86 HIS H H 1 8.570 0.030 . 1 . . . . . 86 HIS H . 11499 1 1022 . 1 1 86 86 HIS HA H 1 4.427 0.030 . 1 . . . . . 86 HIS HA . 11499 1 1023 . 1 1 86 86 HIS HB2 H 1 2.980 0.030 . 2 . . . . . 86 HIS HB2 . 11499 1 1024 . 1 1 86 86 HIS HB3 H 1 3.030 0.030 . 2 . . . . . 86 HIS HB3 . 11499 1 1025 . 1 1 86 86 HIS HD2 H 1 6.987 0.030 . 1 . . . . . 86 HIS HD2 . 11499 1 1026 . 1 1 86 86 HIS HE1 H 1 8.076 0.030 . 1 . . . . . 86 HIS HE1 . 11499 1 1027 . 1 1 86 86 HIS C C 13 175.648 0.300 . 1 . . . . . 86 HIS C . 11499 1 1028 . 1 1 86 86 HIS CA C 13 56.710 0.300 . 1 . . . . . 86 HIS CA . 11499 1 1029 . 1 1 86 86 HIS CB C 13 29.646 0.300 . 1 . . . . . 86 HIS CB . 11499 1 1030 . 1 1 86 86 HIS CD2 C 13 119.431 0.300 . 1 . . . . . 86 HIS CD2 . 11499 1 1031 . 1 1 86 86 HIS CE1 C 13 137.618 0.300 . 1 . . . . . 86 HIS CE1 . 11499 1 1032 . 1 1 86 86 HIS N N 15 120.989 0.300 . 1 . . . . . 86 HIS N . 11499 1 1033 . 1 1 87 87 GLY H H 1 8.433 0.030 . 1 . . . . . 87 GLY H . 11499 1 1034 . 1 1 87 87 GLY HA2 H 1 3.882 0.030 . 2 . . . . . 87 GLY HA2 . 11499 1 1035 . 1 1 87 87 GLY HA3 H 1 4.005 0.030 . 2 . . . . . 87 GLY HA3 . 11499 1 1036 . 1 1 87 87 GLY C C 13 173.918 0.300 . 1 . . . . . 87 GLY C . 11499 1 1037 . 1 1 87 87 GLY CA C 13 45.333 0.300 . 1 . . . . . 87 GLY CA . 11499 1 1038 . 1 1 87 87 GLY N N 15 108.167 0.300 . 1 . . . . . 87 GLY N . 11499 1 1039 . 1 1 88 88 ARG H H 1 8.182 0.030 . 1 . . . . . 88 ARG H . 11499 1 1040 . 1 1 88 88 ARG HA H 1 4.423 0.030 . 1 . . . . . 88 ARG HA . 11499 1 1041 . 1 1 88 88 ARG HB2 H 1 1.920 0.030 . 2 . . . . . 88 ARG HB2 . 11499 1 1042 . 1 1 88 88 ARG HB3 H 1 1.802 0.030 . 2 . . . . . 88 ARG HB3 . 11499 1 1043 . 1 1 88 88 ARG HD2 H 1 3.208 0.030 . 2 . . . . . 88 ARG HD2 . 11499 1 1044 . 1 1 88 88 ARG HD3 H 1 3.208 0.030 . 2 . . . . . 88 ARG HD3 . 11499 1 1045 . 1 1 88 88 ARG HG2 H 1 1.620 0.030 . 2 . . . . . 88 ARG HG2 . 11499 1 1046 . 1 1 88 88 ARG HG3 H 1 1.620 0.030 . 2 . . . . . 88 ARG HG3 . 11499 1 1047 . 1 1 88 88 ARG C C 13 175.700 0.300 . 1 . . . . . 88 ARG C . 11499 1 1048 . 1 1 88 88 ARG CA C 13 55.831 0.300 . 1 . . . . . 88 ARG CA . 11499 1 1049 . 1 1 88 88 ARG CB C 13 30.364 0.300 . 1 . . . . . 88 ARG CB . 11499 1 1050 . 1 1 88 88 ARG CD C 13 43.369 0.300 . 1 . . . . . 88 ARG CD . 11499 1 1051 . 1 1 88 88 ARG CG C 13 26.970 0.300 . 1 . . . . . 88 ARG CG . 11499 1 1052 . 1 1 88 88 ARG N N 15 121.523 0.300 . 1 . . . . . 88 ARG N . 11499 1 1053 . 1 1 89 89 ARG H H 1 8.444 0.030 . 1 . . . . . 89 ARG H . 11499 1 1054 . 1 1 89 89 ARG HA H 1 5.118 0.030 . 1 . . . . . 89 ARG HA . 11499 1 1055 . 1 1 89 89 ARG HB2 H 1 1.760 0.030 . 2 . . . . . 89 ARG HB2 . 11499 1 1056 . 1 1 89 89 ARG HB3 H 1 1.846 0.030 . 2 . . . . . 89 ARG HB3 . 11499 1 1057 . 1 1 89 89 ARG HD2 H 1 2.985 0.030 . 2 . . . . . 89 ARG HD2 . 11499 1 1058 . 1 1 89 89 ARG HD3 H 1 3.140 0.030 . 2 . . . . . 89 ARG HD3 . 11499 1 1059 . 1 1 89 89 ARG HG2 H 1 1.635 0.030 . 2 . . . . . 89 ARG HG2 . 11499 1 1060 . 1 1 89 89 ARG HG3 H 1 1.540 0.030 . 2 . . . . . 89 ARG HG3 . 11499 1 1061 . 1 1 89 89 ARG C C 13 175.843 0.300 . 1 . . . . . 89 ARG C . 11499 1 1062 . 1 1 89 89 ARG CA C 13 55.611 0.300 . 1 . . . . . 89 ARG CA . 11499 1 1063 . 1 1 89 89 ARG CB C 13 32.101 0.300 . 1 . . . . . 89 ARG CB . 11499 1 1064 . 1 1 89 89 ARG CD C 13 43.834 0.300 . 1 . . . . . 89 ARG CD . 11499 1 1065 . 1 1 89 89 ARG CG C 13 27.699 0.300 . 1 . . . . . 89 ARG CG . 11499 1 1066 . 1 1 89 89 ARG N N 15 123.660 0.300 . 1 . . . . . 89 ARG N . 11499 1 1067 . 1 1 90 90 ARG H H 1 8.812 0.030 . 1 . . . . . 90 ARG H . 11499 1 1068 . 1 1 90 90 ARG HA H 1 4.844 0.030 . 1 . . . . . 90 ARG HA . 11499 1 1069 . 1 1 90 90 ARG HB2 H 1 2.120 0.030 . 2 . . . . . 90 ARG HB2 . 11499 1 1070 . 1 1 90 90 ARG HB3 H 1 1.882 0.030 . 2 . . . . . 90 ARG HB3 . 11499 1 1071 . 1 1 90 90 ARG HD2 H 1 3.037 0.030 . 2 . . . . . 90 ARG HD2 . 11499 1 1072 . 1 1 90 90 ARG HD3 H 1 3.348 0.030 . 2 . . . . . 90 ARG HD3 . 11499 1 1073 . 1 1 90 90 ARG HG2 H 1 1.780 0.030 . 2 . . . . . 90 ARG HG2 . 11499 1 1074 . 1 1 90 90 ARG HG3 H 1 1.780 0.030 . 2 . . . . . 90 ARG HG3 . 11499 1 1075 . 1 1 90 90 ARG C C 13 175.115 0.300 . 1 . . . . . 90 ARG C . 11499 1 1076 . 1 1 90 90 ARG CA C 13 54.426 0.300 . 1 . . . . . 90 ARG CA . 11499 1 1077 . 1 1 90 90 ARG CB C 13 33.512 0.300 . 1 . . . . . 90 ARG CB . 11499 1 1078 . 1 1 90 90 ARG CD C 13 43.607 0.300 . 1 . . . . . 90 ARG CD . 11499 1 1079 . 1 1 90 90 ARG CG C 13 27.219 0.300 . 1 . . . . . 90 ARG CG . 11499 1 1080 . 1 1 90 90 ARG N N 15 122.057 0.300 . 1 . . . . . 90 ARG N . 11499 1 1081 . 1 1 91 91 LYS H H 1 9.165 0.030 . 1 . . . . . 91 LYS H . 11499 1 1082 . 1 1 91 91 LYS HA H 1 4.840 0.030 . 1 . . . . . 91 LYS HA . 11499 1 1083 . 1 1 91 91 LYS HB2 H 1 2.261 0.030 . 2 . . . . . 91 LYS HB2 . 11499 1 1084 . 1 1 91 91 LYS HB3 H 1 1.823 0.030 . 2 . . . . . 91 LYS HB3 . 11499 1 1085 . 1 1 91 91 LYS HD2 H 1 1.901 0.030 . 2 . . . . . 91 LYS HD2 . 11499 1 1086 . 1 1 91 91 LYS HD3 H 1 1.925 0.030 . 2 . . . . . 91 LYS HD3 . 11499 1 1087 . 1 1 91 91 LYS HE2 H 1 3.158 0.030 . 2 . . . . . 91 LYS HE2 . 11499 1 1088 . 1 1 91 91 LYS HE3 H 1 3.133 0.030 . 2 . . . . . 91 LYS HE3 . 11499 1 1089 . 1 1 91 91 LYS HG2 H 1 1.772 0.030 . 2 . . . . . 91 LYS HG2 . 11499 1 1090 . 1 1 91 91 LYS HG3 H 1 1.820 0.030 . 2 . . . . . 91 LYS HG3 . 11499 1 1091 . 1 1 91 91 LYS C C 13 175.427 0.300 . 1 . . . . . 91 LYS C . 11499 1 1092 . 1 1 91 91 LYS CA C 13 57.773 0.300 . 1 . . . . . 91 LYS CA . 11499 1 1093 . 1 1 91 91 LYS CB C 13 33.997 0.300 . 1 . . . . . 91 LYS CB . 11499 1 1094 . 1 1 91 91 LYS CD C 13 29.093 0.300 . 1 . . . . . 91 LYS CD . 11499 1 1095 . 1 1 91 91 LYS CE C 13 42.029 0.300 . 1 . . . . . 91 LYS CE . 11499 1 1096 . 1 1 91 91 LYS CG C 13 25.610 0.300 . 1 . . . . . 91 LYS CG . 11499 1 1097 . 1 1 91 91 LYS N N 15 123.217 0.300 . 1 . . . . . 91 LYS N . 11499 1 1098 . 1 1 92 92 ILE H H 1 7.877 0.030 . 1 . . . . . 92 ILE H . 11499 1 1099 . 1 1 92 92 ILE HA H 1 5.874 0.030 . 1 . . . . . 92 ILE HA . 11499 1 1100 . 1 1 92 92 ILE HB H 1 2.308 0.030 . 1 . . . . . 92 ILE HB . 11499 1 1101 . 1 1 92 92 ILE HD11 H 1 0.890 0.030 . 1 . . . . . 92 ILE HD1 . 11499 1 1102 . 1 1 92 92 ILE HD12 H 1 0.890 0.030 . 1 . . . . . 92 ILE HD1 . 11499 1 1103 . 1 1 92 92 ILE HD13 H 1 0.890 0.030 . 1 . . . . . 92 ILE HD1 . 11499 1 1104 . 1 1 92 92 ILE HG12 H 1 1.589 0.030 . 2 . . . . . 92 ILE HG12 . 11499 1 1105 . 1 1 92 92 ILE HG13 H 1 0.883 0.030 . 2 . . . . . 92 ILE HG13 . 11499 1 1106 . 1 1 92 92 ILE HG21 H 1 1.330 0.030 . 1 . . . . . 92 ILE HG2 . 11499 1 1107 . 1 1 92 92 ILE HG22 H 1 1.330 0.030 . 1 . . . . . 92 ILE HG2 . 11499 1 1108 . 1 1 92 92 ILE HG23 H 1 1.330 0.030 . 1 . . . . . 92 ILE HG2 . 11499 1 1109 . 1 1 92 92 ILE C C 13 174.868 0.300 . 1 . . . . . 92 ILE C . 11499 1 1110 . 1 1 92 92 ILE CA C 13 59.942 0.300 . 1 . . . . . 92 ILE CA . 11499 1 1111 . 1 1 92 92 ILE CB C 13 42.746 0.300 . 1 . . . . . 92 ILE CB . 11499 1 1112 . 1 1 92 92 ILE CD1 C 13 14.032 0.300 . 1 . . . . . 92 ILE CD1 . 11499 1 1113 . 1 1 92 92 ILE CG1 C 13 25.948 0.300 . 1 . . . . . 92 ILE CG1 . 11499 1 1114 . 1 1 92 92 ILE CG2 C 13 19.489 0.300 . 1 . . . . . 92 ILE CG2 . 11499 1 1115 . 1 1 92 92 ILE N N 15 114.246 0.300 . 1 . . . . . 92 ILE N . 11499 1 1116 . 1 1 93 93 LYS H H 1 9.121 0.030 . 1 . . . . . 93 LYS H . 11499 1 1117 . 1 1 93 93 LYS HA H 1 4.550 0.030 . 1 . . . . . 93 LYS HA . 11499 1 1118 . 1 1 93 93 LYS HB2 H 1 1.250 0.030 . 2 . . . . . 93 LYS HB2 . 11499 1 1119 . 1 1 93 93 LYS HB3 H 1 1.197 0.030 . 2 . . . . . 93 LYS HB3 . 11499 1 1120 . 1 1 93 93 LYS HD2 H 1 0.100 0.030 . 2 . . . . . 93 LYS HD2 . 11499 1 1121 . 1 1 93 93 LYS HD3 H 1 0.618 0.030 . 2 . . . . . 93 LYS HD3 . 11499 1 1122 . 1 1 93 93 LYS HE2 H 1 1.338 0.030 . 2 . . . . . 93 LYS HE2 . 11499 1 1123 . 1 1 93 93 LYS HE3 H 1 0.720 0.030 . 2 . . . . . 93 LYS HE3 . 11499 1 1124 . 1 1 93 93 LYS HG2 H 1 0.304 0.030 . 2 . . . . . 93 LYS HG2 . 11499 1 1125 . 1 1 93 93 LYS HG3 H 1 0.521 0.030 . 2 . . . . . 93 LYS HG3 . 11499 1 1126 . 1 1 93 93 LYS C C 13 171.682 0.300 . 1 . . . . . 93 LYS C . 11499 1 1127 . 1 1 93 93 LYS CA C 13 55.672 0.300 . 1 . . . . . 93 LYS CA . 11499 1 1128 . 1 1 93 93 LYS CB C 13 35.891 0.300 . 1 . . . . . 93 LYS CB . 11499 1 1129 . 1 1 93 93 LYS CD C 13 29.196 0.300 . 1 . . . . . 93 LYS CD . 11499 1 1130 . 1 1 93 93 LYS CE C 13 40.942 0.300 . 1 . . . . . 93 LYS CE . 11499 1 1131 . 1 1 93 93 LYS CG C 13 24.318 0.300 . 1 . . . . . 93 LYS CG . 11499 1 1132 . 1 1 93 93 LYS N N 15 117.516 0.300 . 1 . . . . . 93 LYS N . 11499 1 1133 . 1 1 94 94 ARG H H 1 7.840 0.030 . 1 . . . . . 94 ARG H . 11499 1 1134 . 1 1 94 94 ARG HA H 1 4.312 0.030 . 1 . . . . . 94 ARG HA . 11499 1 1135 . 1 1 94 94 ARG HB2 H 1 0.425 0.030 . 2 . . . . . 94 ARG HB2 . 11499 1 1136 . 1 1 94 94 ARG HB3 H 1 -1.050 0.030 . 2 . . . . . 94 ARG HB3 . 11499 1 1137 . 1 1 94 94 ARG HD2 H 1 1.700 0.030 . 2 . . . . . 94 ARG HD2 . 11499 1 1138 . 1 1 94 94 ARG HD3 H 1 1.783 0.030 . 2 . . . . . 94 ARG HD3 . 11499 1 1139 . 1 1 94 94 ARG HE H 1 5.849 0.030 . 1 . . . . . 94 ARG HE . 11499 1 1140 . 1 1 94 94 ARG HG2 H 1 -0.203 0.030 . 2 . . . . . 94 ARG HG2 . 11499 1 1141 . 1 1 94 94 ARG HG3 H 1 0.442 0.030 . 2 . . . . . 94 ARG HG3 . 11499 1 1142 . 1 1 94 94 ARG C C 13 175.362 0.300 . 1 . . . . . 94 ARG C . 11499 1 1143 . 1 1 94 94 ARG CA C 13 53.642 0.300 . 1 . . . . . 94 ARG CA . 11499 1 1144 . 1 1 94 94 ARG CB C 13 30.524 0.300 . 1 . . . . . 94 ARG CB . 11499 1 1145 . 1 1 94 94 ARG CD C 13 42.464 0.300 . 1 . . . . . 94 ARG CD . 11499 1 1146 . 1 1 94 94 ARG CG C 13 27.693 0.300 . 1 . . . . . 94 ARG CG . 11499 1 1147 . 1 1 94 94 ARG N N 15 124.586 0.300 . 1 . . . . . 94 ARG N . 11499 1 1148 . 1 1 95 95 ASP H H 1 9.152 0.030 . 1 . . . . . 95 ASP H . 11499 1 1149 . 1 1 95 95 ASP HA H 1 4.925 0.030 . 1 . . . . . 95 ASP HA . 11499 1 1150 . 1 1 95 95 ASP HB2 H 1 2.450 0.030 . 2 . . . . . 95 ASP HB2 . 11499 1 1151 . 1 1 95 95 ASP HB3 H 1 1.968 0.030 . 2 . . . . . 95 ASP HB3 . 11499 1 1152 . 1 1 95 95 ASP C C 13 174.204 0.300 . 1 . . . . . 95 ASP C . 11499 1 1153 . 1 1 95 95 ASP CA C 13 52.131 0.300 . 1 . . . . . 95 ASP CA . 11499 1 1154 . 1 1 95 95 ASP CB C 13 44.945 0.300 . 1 . . . . . 95 ASP CB . 11499 1 1155 . 1 1 95 95 ASP N N 15 126.998 0.300 . 1 . . . . . 95 ASP N . 11499 1 1156 . 1 1 96 96 ILE H H 1 8.520 0.030 . 1 . . . . . 96 ILE H . 11499 1 1157 . 1 1 96 96 ILE HA H 1 4.083 0.030 . 1 . . . . . 96 ILE HA . 11499 1 1158 . 1 1 96 96 ILE HB H 1 1.582 0.030 . 1 . . . . . 96 ILE HB . 11499 1 1159 . 1 1 96 96 ILE HD11 H 1 0.598 0.030 . 1 . . . . . 96 ILE HD1 . 11499 1 1160 . 1 1 96 96 ILE HD12 H 1 0.598 0.030 . 1 . . . . . 96 ILE HD1 . 11499 1 1161 . 1 1 96 96 ILE HD13 H 1 0.598 0.030 . 1 . . . . . 96 ILE HD1 . 11499 1 1162 . 1 1 96 96 ILE HG12 H 1 1.134 0.030 . 2 . . . . . 96 ILE HG12 . 11499 1 1163 . 1 1 96 96 ILE HG13 H 1 0.872 0.030 . 2 . . . . . 96 ILE HG13 . 11499 1 1164 . 1 1 96 96 ILE HG21 H 1 0.684 0.030 . 1 . . . . . 96 ILE HG2 . 11499 1 1165 . 1 1 96 96 ILE HG22 H 1 0.684 0.030 . 1 . . . . . 96 ILE HG2 . 11499 1 1166 . 1 1 96 96 ILE HG23 H 1 0.684 0.030 . 1 . . . . . 96 ILE HG2 . 11499 1 1167 . 1 1 96 96 ILE C C 13 176.116 0.300 . 1 . . . . . 96 ILE C . 11499 1 1168 . 1 1 96 96 ILE CA C 13 60.441 0.300 . 1 . . . . . 96 ILE CA . 11499 1 1169 . 1 1 96 96 ILE CB C 13 38.992 0.300 . 1 . . . . . 96 ILE CB . 11499 1 1170 . 1 1 96 96 ILE CD1 C 13 12.877 0.300 . 1 . . . . . 96 ILE CD1 . 11499 1 1171 . 1 1 96 96 ILE CG1 C 13 27.354 0.300 . 1 . . . . . 96 ILE CG1 . 11499 1 1172 . 1 1 96 96 ILE CG2 C 13 17.604 0.300 . 1 . . . . . 96 ILE CG2 . 11499 1 1173 . 1 1 96 96 ILE N N 15 119.920 0.300 . 1 . . . . . 96 ILE N . 11499 1 1174 . 1 1 97 97 ILE H H 1 8.046 0.030 . 1 . . . . . 97 ILE H . 11499 1 1175 . 1 1 97 97 ILE HA H 1 4.027 0.030 . 1 . . . . . 97 ILE HA . 11499 1 1176 . 1 1 97 97 ILE HB H 1 1.629 0.030 . 1 . . . . . 97 ILE HB . 11499 1 1177 . 1 1 97 97 ILE HD11 H 1 0.687 0.030 . 1 . . . . . 97 ILE HD1 . 11499 1 1178 . 1 1 97 97 ILE HD12 H 1 0.687 0.030 . 1 . . . . . 97 ILE HD1 . 11499 1 1179 . 1 1 97 97 ILE HD13 H 1 0.687 0.030 . 1 . . . . . 97 ILE HD1 . 11499 1 1180 . 1 1 97 97 ILE HG12 H 1 1.279 0.030 . 2 . . . . . 97 ILE HG12 . 11499 1 1181 . 1 1 97 97 ILE HG13 H 1 0.939 0.030 . 2 . . . . . 97 ILE HG13 . 11499 1 1182 . 1 1 97 97 ILE HG21 H 1 0.771 0.030 . 1 . . . . . 97 ILE HG2 . 11499 1 1183 . 1 1 97 97 ILE HG22 H 1 0.771 0.030 . 1 . . . . . 97 ILE HG2 . 11499 1 1184 . 1 1 97 97 ILE HG23 H 1 0.771 0.030 . 1 . . . . . 97 ILE HG2 . 11499 1 1185 . 1 1 97 97 ILE C C 13 175.154 0.300 . 1 . . . . . 97 ILE C . 11499 1 1186 . 1 1 97 97 ILE CA C 13 61.157 0.300 . 1 . . . . . 97 ILE CA . 11499 1 1187 . 1 1 97 97 ILE CB C 13 39.020 0.300 . 1 . . . . . 97 ILE CB . 11499 1 1188 . 1 1 97 97 ILE CD1 C 13 13.230 0.300 . 1 . . . . . 97 ILE CD1 . 11499 1 1189 . 1 1 97 97 ILE CG1 C 13 27.622 0.300 . 1 . . . . . 97 ILE CG1 . 11499 1 1190 . 1 1 97 97 ILE CG2 C 13 17.498 0.300 . 1 . . . . . 97 ILE CG2 . 11499 1 1191 . 1 1 97 97 ILE N N 15 124.842 0.300 . 1 . . . . . 97 ILE N . 11499 1 1192 . 1 1 98 98 ASP H H 1 8.181 0.030 . 1 . . . . . 98 ASP H . 11499 1 1193 . 1 1 98 98 ASP HA H 1 4.575 0.030 . 1 . . . . . 98 ASP HA . 11499 1 1194 . 1 1 98 98 ASP HB2 H 1 2.444 0.030 . 2 . . . . . 98 ASP HB2 . 11499 1 1195 . 1 1 98 98 ASP HB3 H 1 2.577 0.030 . 2 . . . . . 98 ASP HB3 . 11499 1 1196 . 1 1 98 98 ASP C C 13 175.362 0.300 . 1 . . . . . 98 ASP C . 11499 1 1197 . 1 1 98 98 ASP CA C 13 53.868 0.300 . 1 . . . . . 98 ASP CA . 11499 1 1198 . 1 1 98 98 ASP CB C 13 41.317 0.300 . 1 . . . . . 98 ASP CB . 11499 1 1199 . 1 1 98 98 ASP N N 15 124.728 0.300 . 1 . . . . . 98 ASP N . 11499 1 1200 . 1 1 99 99 ILE H H 1 7.938 0.030 . 1 . . . . . 99 ILE H . 11499 1 1201 . 1 1 99 99 ILE HA H 1 4.357 0.030 . 1 . . . . . 99 ILE HA . 11499 1 1202 . 1 1 99 99 ILE HB H 1 1.767 0.030 . 1 . . . . . 99 ILE HB . 11499 1 1203 . 1 1 99 99 ILE HD11 H 1 0.706 0.030 . 1 . . . . . 99 ILE HD1 . 11499 1 1204 . 1 1 99 99 ILE HD12 H 1 0.706 0.030 . 1 . . . . . 99 ILE HD1 . 11499 1 1205 . 1 1 99 99 ILE HD13 H 1 0.706 0.030 . 1 . . . . . 99 ILE HD1 . 11499 1 1206 . 1 1 99 99 ILE HG12 H 1 1.053 0.030 . 2 . . . . . 99 ILE HG12 . 11499 1 1207 . 1 1 99 99 ILE HG13 H 1 1.387 0.030 . 2 . . . . . 99 ILE HG13 . 11499 1 1208 . 1 1 99 99 ILE HG21 H 1 0.855 0.030 . 1 . . . . . 99 ILE HG2 . 11499 1 1209 . 1 1 99 99 ILE HG22 H 1 0.855 0.030 . 1 . . . . . 99 ILE HG2 . 11499 1 1210 . 1 1 99 99 ILE HG23 H 1 0.855 0.030 . 1 . . . . . 99 ILE HG2 . 11499 1 1211 . 1 1 99 99 ILE C C 13 174.387 0.300 . 1 . . . . . 99 ILE C . 11499 1 1212 . 1 1 99 99 ILE CA C 13 58.882 0.300 . 1 . . . . . 99 ILE CA . 11499 1 1213 . 1 1 99 99 ILE CB C 13 38.598 0.300 . 1 . . . . . 99 ILE CB . 11499 1 1214 . 1 1 99 99 ILE CD1 C 13 12.810 0.300 . 1 . . . . . 99 ILE CD1 . 11499 1 1215 . 1 1 99 99 ILE CG1 C 13 26.820 0.300 . 1 . . . . . 99 ILE CG1 . 11499 1 1216 . 1 1 99 99 ILE CG2 C 13 17.247 0.300 . 1 . . . . . 99 ILE CG2 . 11499 1 1217 . 1 1 99 99 ILE N N 15 122.591 0.300 . 1 . . . . . 99 ILE N . 11499 1 1218 . 1 1 100 100 PRO HA H 1 4.350 0.030 . 1 . . . . . 100 PRO HA . 11499 1 1219 . 1 1 100 100 PRO HB2 H 1 1.812 0.030 . 2 . . . . . 100 PRO HB2 . 11499 1 1220 . 1 1 100 100 PRO HB3 H 1 2.249 0.030 . 2 . . . . . 100 PRO HB3 . 11499 1 1221 . 1 1 100 100 PRO HD2 H 1 3.613 0.030 . 2 . . . . . 100 PRO HD2 . 11499 1 1222 . 1 1 100 100 PRO HD3 H 1 3.800 0.030 . 2 . . . . . 100 PRO HD3 . 11499 1 1223 . 1 1 100 100 PRO HG2 H 1 1.924 0.030 . 2 . . . . . 100 PRO HG2 . 11499 1 1224 . 1 1 100 100 PRO HG3 H 1 1.989 0.030 . 2 . . . . . 100 PRO HG3 . 11499 1 1225 . 1 1 100 100 PRO CA C 13 63.273 0.300 . 1 . . . . . 100 PRO CA . 11499 1 1226 . 1 1 100 100 PRO CB C 13 32.083 0.300 . 1 . . . . . 100 PRO CB . 11499 1 1227 . 1 1 100 100 PRO CD C 13 50.984 0.300 . 1 . . . . . 100 PRO CD . 11499 1 1228 . 1 1 100 100 PRO CG C 13 27.478 0.300 . 1 . . . . . 100 PRO CG . 11499 1 1229 . 1 1 101 101 LYS H H 1 8.371 0.030 . 1 . . . . . 101 LYS H . 11499 1 1230 . 1 1 101 101 LYS HA H 1 4.290 0.030 . 1 . . . . . 101 LYS HA . 11499 1 1231 . 1 1 101 101 LYS HB2 H 1 1.797 0.030 . 2 . . . . . 101 LYS HB2 . 11499 1 1232 . 1 1 101 101 LYS HB3 H 1 1.721 0.030 . 2 . . . . . 101 LYS HB3 . 11499 1 1233 . 1 1 101 101 LYS HD2 H 1 1.664 0.030 . 2 . . . . . 101 LYS HD2 . 11499 1 1234 . 1 1 101 101 LYS HD3 H 1 1.664 0.030 . 2 . . . . . 101 LYS HD3 . 11499 1 1235 . 1 1 101 101 LYS HE2 H 1 2.982 0.030 . 2 . . . . . 101 LYS HE2 . 11499 1 1236 . 1 1 101 101 LYS HE3 H 1 2.982 0.030 . 2 . . . . . 101 LYS HE3 . 11499 1 1237 . 1 1 101 101 LYS HG2 H 1 1.403 0.030 . 2 . . . . . 101 LYS HG2 . 11499 1 1238 . 1 1 101 101 LYS HG3 H 1 1.433 0.030 . 2 . . . . . 101 LYS HG3 . 11499 1 1239 . 1 1 101 101 LYS C C 13 176.636 0.300 . 1 . . . . . 101 LYS C . 11499 1 1240 . 1 1 101 101 LYS CA C 13 56.062 0.300 . 1 . . . . . 101 LYS CA . 11499 1 1241 . 1 1 101 101 LYS CB C 13 33.119 0.300 . 1 . . . . . 101 LYS CB . 11499 1 1242 . 1 1 101 101 LYS CD C 13 29.029 0.300 . 1 . . . . . 101 LYS CD . 11499 1 1243 . 1 1 101 101 LYS CE C 13 42.233 0.300 . 1 . . . . . 101 LYS CE . 11499 1 1244 . 1 1 101 101 LYS CG C 13 24.448 0.300 . 1 . . . . . 101 LYS CG . 11499 1 1245 . 1 1 101 101 LYS N N 15 121.687 0.300 . 1 . . . . . 101 LYS N . 11499 1 1246 . 1 1 102 102 LYS H H 1 8.360 0.030 . 1 . . . . . 102 LYS H . 11499 1 1247 . 1 1 102 102 LYS HA H 1 4.266 0.030 . 1 . . . . . 102 LYS HA . 11499 1 1248 . 1 1 102 102 LYS HB2 H 1 1.640 0.030 . 2 . . . . . 102 LYS HB2 . 11499 1 1249 . 1 1 102 102 LYS HB3 H 1 1.753 0.030 . 2 . . . . . 102 LYS HB3 . 11499 1 1250 . 1 1 102 102 LYS HD2 H 1 1.637 0.030 . 2 . . . . . 102 LYS HD2 . 11499 1 1251 . 1 1 102 102 LYS HD3 H 1 1.637 0.030 . 2 . . . . . 102 LYS HD3 . 11499 1 1252 . 1 1 102 102 LYS HE2 H 1 2.952 0.030 . 2 . . . . . 102 LYS HE2 . 11499 1 1253 . 1 1 102 102 LYS HE3 H 1 2.952 0.030 . 2 . . . . . 102 LYS HE3 . 11499 1 1254 . 1 1 102 102 LYS HG2 H 1 1.420 0.030 . 2 . . . . . 102 LYS HG2 . 11499 1 1255 . 1 1 102 102 LYS HG3 H 1 1.420 0.030 . 2 . . . . . 102 LYS HG3 . 11499 1 1256 . 1 1 102 102 LYS C C 13 177.000 0.300 . 1 . . . . . 102 LYS C . 11499 1 1257 . 1 1 102 102 LYS CA C 13 56.385 0.300 . 1 . . . . . 102 LYS CA . 11499 1 1258 . 1 1 102 102 LYS CB C 13 33.038 0.300 . 1 . . . . . 102 LYS CB . 11499 1 1259 . 1 1 102 102 LYS CD C 13 28.958 0.300 . 1 . . . . . 102 LYS CD . 11499 1 1260 . 1 1 102 102 LYS CE C 13 42.091 0.300 . 1 . . . . . 102 LYS CE . 11499 1 1261 . 1 1 102 102 LYS CG C 13 24.698 0.300 . 1 . . . . . 102 LYS CG . 11499 1 1262 . 1 1 102 102 LYS N N 15 122.450 0.300 . 1 . . . . . 102 LYS N . 11499 1 1263 . 1 1 103 103 GLY H H 1 8.355 0.030 . 1 . . . . . 103 GLY H . 11499 1 1264 . 1 1 103 103 GLY HA2 H 1 3.940 0.030 . 2 . . . . . 103 GLY HA2 . 11499 1 1265 . 1 1 103 103 GLY HA3 H 1 3.940 0.030 . 2 . . . . . 103 GLY HA3 . 11499 1 1266 . 1 1 103 103 GLY C C 13 173.892 0.300 . 1 . . . . . 103 GLY C . 11499 1 1267 . 1 1 103 103 GLY CA C 13 45.303 0.300 . 1 . . . . . 103 GLY CA . 11499 1 1268 . 1 1 103 103 GLY N N 15 110.121 0.300 . 1 . . . . . 103 GLY N . 11499 1 1269 . 1 1 104 104 VAL H H 1 8.035 0.030 . 1 . . . . . 104 VAL H . 11499 1 1270 . 1 1 104 104 VAL HA H 1 4.238 0.030 . 1 . . . . . 104 VAL HA . 11499 1 1271 . 1 1 104 104 VAL HB H 1 2.095 0.030 . 1 . . . . . 104 VAL HB . 11499 1 1272 . 1 1 104 104 VAL HG11 H 1 0.920 0.030 . 2 . . . . . 104 VAL HG1 . 11499 1 1273 . 1 1 104 104 VAL HG12 H 1 0.920 0.030 . 2 . . . . . 104 VAL HG1 . 11499 1 1274 . 1 1 104 104 VAL HG13 H 1 0.920 0.030 . 2 . . . . . 104 VAL HG1 . 11499 1 1275 . 1 1 104 104 VAL HG21 H 1 0.892 0.030 . 2 . . . . . 104 VAL HG2 . 11499 1 1276 . 1 1 104 104 VAL HG22 H 1 0.892 0.030 . 2 . . . . . 104 VAL HG2 . 11499 1 1277 . 1 1 104 104 VAL HG23 H 1 0.892 0.030 . 2 . . . . . 104 VAL HG2 . 11499 1 1278 . 1 1 104 104 VAL C C 13 176.311 0.300 . 1 . . . . . 104 VAL C . 11499 1 1279 . 1 1 104 104 VAL CA C 13 62.037 0.300 . 1 . . . . . 104 VAL CA . 11499 1 1280 . 1 1 104 104 VAL CB C 13 32.986 0.300 . 1 . . . . . 104 VAL CB . 11499 1 1281 . 1 1 104 104 VAL CG1 C 13 21.148 0.300 . 2 . . . . . 104 VAL CG1 . 11499 1 1282 . 1 1 104 104 VAL CG2 C 13 20.253 0.300 . 2 . . . . . 104 VAL CG2 . 11499 1 1283 . 1 1 104 104 VAL N N 15 118.852 0.300 . 1 . . . . . 104 VAL N . 11499 1 1284 . 1 1 105 105 SER H H 1 8.475 0.030 . 1 . . . . . 105 SER H . 11499 1 1285 . 1 1 105 105 SER HA H 1 4.533 0.030 . 1 . . . . . 105 SER HA . 11499 1 1286 . 1 1 105 105 SER HB2 H 1 3.858 0.030 . 2 . . . . . 105 SER HB2 . 11499 1 1287 . 1 1 105 105 SER HB3 H 1 3.858 0.030 . 2 . . . . . 105 SER HB3 . 11499 1 1288 . 1 1 105 105 SER C C 13 174.426 0.300 . 1 . . . . . 105 SER C . 11499 1 1289 . 1 1 105 105 SER CA C 13 58.295 0.300 . 1 . . . . . 105 SER CA . 11499 1 1290 . 1 1 105 105 SER CB C 13 64.087 0.300 . 1 . . . . . 105 SER CB . 11499 1 1291 . 1 1 105 105 SER N N 15 119.654 0.300 . 1 . . . . . 105 SER N . 11499 1 1292 . 1 1 106 106 GLY H H 1 8.239 0.030 . 1 . . . . . 106 GLY H . 11499 1 1293 . 1 1 106 106 GLY HA2 H 1 4.058 0.030 . 2 . . . . . 106 GLY HA2 . 11499 1 1294 . 1 1 106 106 GLY HA3 H 1 4.145 0.030 . 2 . . . . . 106 GLY HA3 . 11499 1 1295 . 1 1 106 106 GLY C C 13 171.760 0.300 . 1 . . . . . 106 GLY C . 11499 1 1296 . 1 1 106 106 GLY CA C 13 44.676 0.300 . 1 . . . . . 106 GLY CA . 11499 1 1297 . 1 1 106 106 GLY N N 15 110.838 0.300 . 1 . . . . . 106 GLY N . 11499 1 1298 . 1 1 107 107 PRO HA H 1 4.501 0.030 . 1 . . . . . 107 PRO HA . 11499 1 1299 . 1 1 107 107 PRO HB2 H 1 2.305 0.030 . 2 . . . . . 107 PRO HB2 . 11499 1 1300 . 1 1 107 107 PRO HB3 H 1 1.973 0.030 . 2 . . . . . 107 PRO HB3 . 11499 1 1301 . 1 1 107 107 PRO HD2 H 1 3.575 0.030 . 2 . . . . . 107 PRO HD2 . 11499 1 1302 . 1 1 107 107 PRO HD3 H 1 3.575 0.030 . 2 . . . . . 107 PRO HD3 . 11499 1 1303 . 1 1 107 107 PRO HG2 H 1 1.997 0.030 . 2 . . . . . 107 PRO HG2 . 11499 1 1304 . 1 1 107 107 PRO HG3 H 1 1.997 0.030 . 2 . . . . . 107 PRO HG3 . 11499 1 1305 . 1 1 107 107 PRO C C 13 177.103 0.300 . 1 . . . . . 107 PRO C . 11499 1 1306 . 1 1 107 107 PRO CA C 13 63.220 0.300 . 1 . . . . . 107 PRO CA . 11499 1 1307 . 1 1 107 107 PRO CB C 13 32.293 0.300 . 1 . . . . . 107 PRO CB . 11499 1 1308 . 1 1 107 107 PRO CD C 13 49.687 0.300 . 1 . . . . . 107 PRO CD . 11499 1 1309 . 1 1 107 107 PRO CG C 13 27.041 0.300 . 1 . . . . . 107 PRO CG . 11499 1 stop_ save_