data_27481 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27481 _Entry.Title ; Partial 1H, 13C, and 15N assignments of DFsc ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-05-15 _Entry.Accession_date 2018-05-15 _Entry.Last_release_date 2018-05-15 _Entry.Original_release_date 2018-05-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Alexander Volkov . N. . . 27481 2 Olga Makhlynets . . . . 27481 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27481 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 27481 '15N chemical shifts' 124 27481 '1H chemical shifts' 658 27481 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-03-03 2018-05-15 update BMRB 'update entry citation' 27481 1 . . 2019-10-22 2018-05-15 original author 'original release' 27481 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27481 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31509280 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Uno Ferro, a de novo designed protein, binds transition metals with high affinity and stabilizes semiquinone radical anion ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chemistry _Citation.Journal_name_full 'Chemistry (Weinheim an der Bergstrasse, Germany)' _Citation.Journal_volume 25 _Citation.Journal_issue 67 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1521-3765 _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 15252 _Citation.Page_last 15256 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jennifer Yoon J. H. . . 27481 1 2 Alona Kulesha A. V. . . 27481 1 3 Zsofia Lengyel-Zhand Z. . . . 27481 1 4 Alexander Volkov A. N. . . 27481 1 5 Joel Rempillo J. J. . . 27481 1 6 Areetha D'Souza A. . . . 27481 1 7 Christos Costeas C. . . . 27481 1 8 Cara Chester C. . . . 27481 1 9 Elizabeth Caselle E. R. . . 27481 1 10 Olga Makhlynets O. V. . . 27481 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27481 _Assembly.ID 1 _Assembly.Name DFsc _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 DFsc 1 $DFsc A . yes native no no . . . 27481 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DFsc _Entity.Sf_category entity _Entity.Sf_framecode DFsc _Entity.Entry_ID 27481 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DFsc _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 ; NDELRELLKAEQQAIKIYKE VLKKAKEGDEQELARLIQEI VKAEKQAVKVYKEAAEKARN PEKRQVIDKILEDEEKHIEW LKAASKQGNAEQFASLVQQI LQDEQRHVEEIEKKN ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _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 . ASN . 27481 1 2 . ASP . 27481 1 3 . GLU . 27481 1 4 . LEU . 27481 1 5 . ARG . 27481 1 6 . GLU . 27481 1 7 . LEU . 27481 1 8 . LEU . 27481 1 9 . LYS . 27481 1 10 . ALA . 27481 1 11 . GLU . 27481 1 12 . GLN . 27481 1 13 . GLN . 27481 1 14 . ALA . 27481 1 15 . ILE . 27481 1 16 . LYS . 27481 1 17 . ILE . 27481 1 18 . TYR . 27481 1 19 . LYS . 27481 1 20 . GLU . 27481 1 21 . VAL . 27481 1 22 . LEU . 27481 1 23 . LYS . 27481 1 24 . LYS . 27481 1 25 . ALA . 27481 1 26 . LYS . 27481 1 27 . GLU . 27481 1 28 . GLY . 27481 1 29 . ASP . 27481 1 30 . GLU . 27481 1 31 . GLN . 27481 1 32 . GLU . 27481 1 33 . LEU . 27481 1 34 . ALA . 27481 1 35 . ARG . 27481 1 36 . LEU . 27481 1 37 . ILE . 27481 1 38 . GLN . 27481 1 39 . GLU . 27481 1 40 . ILE . 27481 1 41 . VAL . 27481 1 42 . LYS . 27481 1 43 . ALA . 27481 1 44 . GLU . 27481 1 45 . LYS . 27481 1 46 . GLN . 27481 1 47 . ALA . 27481 1 48 . VAL . 27481 1 49 . LYS . 27481 1 50 . VAL . 27481 1 51 . TYR . 27481 1 52 . LYS . 27481 1 53 . GLU . 27481 1 54 . ALA . 27481 1 55 . ALA . 27481 1 56 . GLU . 27481 1 57 . LYS . 27481 1 58 . ALA . 27481 1 59 . ARG . 27481 1 60 . ASN . 27481 1 61 . PRO . 27481 1 62 . GLU . 27481 1 63 . LYS . 27481 1 64 . ARG . 27481 1 65 . GLN . 27481 1 66 . VAL . 27481 1 67 . ILE . 27481 1 68 . ASP . 27481 1 69 . LYS . 27481 1 70 . ILE . 27481 1 71 . LEU . 27481 1 72 . GLU . 27481 1 73 . ASP . 27481 1 74 . GLU . 27481 1 75 . GLU . 27481 1 76 . LYS . 27481 1 77 . HIS . 27481 1 78 . ILE . 27481 1 79 . GLU . 27481 1 80 . TRP . 27481 1 81 . LEU . 27481 1 82 . LYS . 27481 1 83 . ALA . 27481 1 84 . ALA . 27481 1 85 . SER . 27481 1 86 . LYS . 27481 1 87 . GLN . 27481 1 88 . GLY . 27481 1 89 . ASN . 27481 1 90 . ALA . 27481 1 91 . GLU . 27481 1 92 . GLN . 27481 1 93 . PHE . 27481 1 94 . ALA . 27481 1 95 . SER . 27481 1 96 . LEU . 27481 1 97 . VAL . 27481 1 98 . GLN . 27481 1 99 . GLN . 27481 1 100 . ILE . 27481 1 101 . LEU . 27481 1 102 . GLN . 27481 1 103 . ASP . 27481 1 104 . GLU . 27481 1 105 . GLN . 27481 1 106 . ARG . 27481 1 107 . HIS . 27481 1 108 . VAL . 27481 1 109 . GLU . 27481 1 110 . GLU . 27481 1 111 . ILE . 27481 1 112 . GLU . 27481 1 113 . LYS . 27481 1 114 . LYS . 27481 1 115 . ASN . 27481 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 . ASN 1 1 27481 1 . ASP 2 2 27481 1 . GLU 3 3 27481 1 . LEU 4 4 27481 1 . ARG 5 5 27481 1 . GLU 6 6 27481 1 . LEU 7 7 27481 1 . LEU 8 8 27481 1 . LYS 9 9 27481 1 . ALA 10 10 27481 1 . GLU 11 11 27481 1 . GLN 12 12 27481 1 . GLN 13 13 27481 1 . ALA 14 14 27481 1 . ILE 15 15 27481 1 . LYS 16 16 27481 1 . ILE 17 17 27481 1 . TYR 18 18 27481 1 . LYS 19 19 27481 1 . GLU 20 20 27481 1 . VAL 21 21 27481 1 . LEU 22 22 27481 1 . LYS 23 23 27481 1 . LYS 24 24 27481 1 . ALA 25 25 27481 1 . LYS 26 26 27481 1 . GLU 27 27 27481 1 . GLY 28 28 27481 1 . ASP 29 29 27481 1 . GLU 30 30 27481 1 . GLN 31 31 27481 1 . GLU 32 32 27481 1 . LEU 33 33 27481 1 . ALA 34 34 27481 1 . ARG 35 35 27481 1 . LEU 36 36 27481 1 . ILE 37 37 27481 1 . GLN 38 38 27481 1 . GLU 39 39 27481 1 . ILE 40 40 27481 1 . VAL 41 41 27481 1 . LYS 42 42 27481 1 . ALA 43 43 27481 1 . GLU 44 44 27481 1 . LYS 45 45 27481 1 . GLN 46 46 27481 1 . ALA 47 47 27481 1 . VAL 48 48 27481 1 . LYS 49 49 27481 1 . VAL 50 50 27481 1 . TYR 51 51 27481 1 . LYS 52 52 27481 1 . GLU 53 53 27481 1 . ALA 54 54 27481 1 . ALA 55 55 27481 1 . GLU 56 56 27481 1 . LYS 57 57 27481 1 . ALA 58 58 27481 1 . ARG 59 59 27481 1 . ASN 60 60 27481 1 . PRO 61 61 27481 1 . GLU 62 62 27481 1 . LYS 63 63 27481 1 . ARG 64 64 27481 1 . GLN 65 65 27481 1 . VAL 66 66 27481 1 . ILE 67 67 27481 1 . ASP 68 68 27481 1 . LYS 69 69 27481 1 . ILE 70 70 27481 1 . LEU 71 71 27481 1 . GLU 72 72 27481 1 . ASP 73 73 27481 1 . GLU 74 74 27481 1 . GLU 75 75 27481 1 . LYS 76 76 27481 1 . HIS 77 77 27481 1 . ILE 78 78 27481 1 . GLU 79 79 27481 1 . TRP 80 80 27481 1 . LEU 81 81 27481 1 . LYS 82 82 27481 1 . ALA 83 83 27481 1 . ALA 84 84 27481 1 . SER 85 85 27481 1 . LYS 86 86 27481 1 . GLN 87 87 27481 1 . GLY 88 88 27481 1 . ASN 89 89 27481 1 . ALA 90 90 27481 1 . GLU 91 91 27481 1 . GLN 92 92 27481 1 . PHE 93 93 27481 1 . ALA 94 94 27481 1 . SER 95 95 27481 1 . LEU 96 96 27481 1 . VAL 97 97 27481 1 . GLN 98 98 27481 1 . GLN 99 99 27481 1 . ILE 100 100 27481 1 . LEU 101 101 27481 1 . GLN 102 102 27481 1 . ASP 103 103 27481 1 . GLU 104 104 27481 1 . GLN 105 105 27481 1 . ARG 106 106 27481 1 . HIS 107 107 27481 1 . VAL 108 108 27481 1 . GLU 109 109 27481 1 . GLU 110 110 27481 1 . ILE 111 111 27481 1 . GLU 112 112 27481 1 . LYS 113 113 27481 1 . LYS 114 114 27481 1 . ASN 115 115 27481 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 27481 _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 $DFsc . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 27481 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 27481 _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 $DFsc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pMCSG49 . . . 27481 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27481 _Sample.ID 1 _Sample.Name . _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 DFsc '[U-99% 13C; U-99% 15N]' . . 1 $DFsc . . 0.8 . . mM . . . . 27481 1 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 27481 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 27481 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 27481 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 27481 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 27481 1 pH 6.0 . pH 27481 1 pressure 1 . atm 27481 1 temperature 300 . K 27481 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27481 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27481 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27481 1 . processing 27481 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27481 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27481 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27481 2 . 'data analysis' 27481 2 . 'peak picking' 27481 2 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 27481 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _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 27481 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . . . 27481 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 27481 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 1 14 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27481 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 27481 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 27481 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27481 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27481 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 27481 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27481 1 2 '3D HNCACB' . . . 27481 1 3 '3D CBCA(CO)NH' . . . 27481 1 4 '3D HNCA' . . . 27481 1 5 '3D HN(CO)CA' . . . 27481 1 6 '3D HNCO' . . . 27481 1 7 '3D HN(CA)CO' . . . 27481 1 8 '3D HBHA(CO)NH' . . . 27481 1 9 '3D HCCH-TOCSY' . . . 27481 1 10 '3D 1H-15N NOESY' . . . 27481 1 11 '3D 1H-13C NOESY' . . . 27481 1 12 '2D 1H-13C HSQC aliphatic' . . . 27481 1 13 '2D 1H-13C HSQC aromatic' . . . 27481 1 14 '2D (HB)CB(CGCD)HD' . . . 27481 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ASN HA H 1 4.762 0.04 . 1 . . . . . 1 ASN HA . 27481 1 2 . 1 . 1 1 1 ASN HB2 H 1 2.787 0.04 . 2 . . . . . 1 ASN HB2 . 27481 1 3 . 1 . 1 1 1 ASN HB3 H 1 2.847 0.04 . 2 . . . . . 1 ASN HB3 . 27481 1 4 . 1 . 1 1 1 ASN HD21 H 1 6.925 0.04 . 2 . . . . . 1 ASN HD21 . 27481 1 5 . 1 . 1 1 1 ASN HD22 H 1 7.667 0.04 . 2 . . . . . 1 ASN HD22 . 27481 1 6 . 1 . 1 1 1 ASN C C 13 175.324 0.4 . 1 . . . . . 1 ASN C . 27481 1 7 . 1 . 1 1 1 ASN CA C 13 53.487 0.40 . 1 . . . . . 1 ASN CA . 27481 1 8 . 1 . 1 1 1 ASN CB C 13 38.686 0.40 . 1 . . . . . 1 ASN CB . 27481 1 9 . 1 . 1 1 1 ASN ND2 N 15 112.967 0.2 . 1 . . . . . 1 ASN ND2 . 27481 1 10 . 1 . 1 2 2 ASP H H 1 8.491 0.04 . 1 . . . . . 2 ASP H . 27481 1 11 . 1 . 1 2 2 ASP HA H 1 4.485 0.04 . 1 . . . . . 2 ASP HA . 27481 1 12 . 1 . 1 2 2 ASP HB2 H 1 2.589 0.04 . 2 . . . . . 2 ASP HB2 . 27481 1 13 . 1 . 1 2 2 ASP HB3 H 1 2.704 0.04 . 2 . . . . . 2 ASP HB3 . 27481 1 14 . 1 . 1 2 2 ASP C C 13 177.353 0.4 . 1 . . . . . 2 ASP C . 27481 1 15 . 1 . 1 2 2 ASP CA C 13 55.616 0.40 . 1 . . . . . 2 ASP CA . 27481 1 16 . 1 . 1 2 2 ASP CB C 13 41.020 0.40 . 1 . . . . . 2 ASP CB . 27481 1 17 . 1 . 1 2 2 ASP N N 15 121.222 0.2 . 1 . . . . . 2 ASP N . 27481 1 18 . 1 . 1 3 3 GLU H H 1 8.841 0.04 . 1 . . . . . 3 GLU H . 27481 1 19 . 1 . 1 3 3 GLU HA H 1 4.131 0.04 . 1 . . . . . 3 GLU HA . 27481 1 20 . 1 . 1 3 3 GLU HB2 H 1 2.035 0.04 . 1 . . . . . 3 GLU HB2 . 27481 1 21 . 1 . 1 3 3 GLU HB3 H 1 2.035 0.04 . 1 . . . . . 3 GLU HB3 . 27481 1 22 . 1 . 1 3 3 GLU C C 13 178.048 0.4 . 1 . . . . . 3 GLU C . 27481 1 23 . 1 . 1 3 3 GLU CA C 13 58.945 0.40 . 1 . . . . . 3 GLU CA . 27481 1 24 . 1 . 1 3 3 GLU CB C 13 29.379 0.40 . 1 . . . . . 3 GLU CB . 27481 1 25 . 1 . 1 3 3 GLU N N 15 120.696 0.2 . 1 . . . . . 3 GLU N . 27481 1 26 . 1 . 1 4 4 LEU H H 1 8.207 0.04 . 1 . . . . . 4 LEU H . 27481 1 27 . 1 . 1 4 4 LEU HA H 1 4.356 0.04 . 1 . . . . . 4 LEU HA . 27481 1 28 . 1 . 1 4 4 LEU HB2 H 1 1.640 0.04 . 2 . . . . . 4 LEU HB2 . 27481 1 29 . 1 . 1 4 4 LEU HB3 H 1 1.781 0.04 . 2 . . . . . 4 LEU HB3 . 27481 1 30 . 1 . 1 4 4 LEU HG H 1 1.630 0.04 . 1 . . . . . 4 LEU HG . 27481 1 31 . 1 . 1 4 4 LEU HD11 H 1 0.811 0.04 . 2 . . . . . 4 LEU HD1* . 27481 1 32 . 1 . 1 4 4 LEU HD12 H 1 0.811 0.04 . 2 . . . . . 4 LEU HD1* . 27481 1 33 . 1 . 1 4 4 LEU HD13 H 1 0.811 0.04 . 2 . . . . . 4 LEU HD1* . 27481 1 34 . 1 . 1 4 4 LEU HD21 H 1 0.914 0.04 . 2 . . . . . 4 LEU HD2* . 27481 1 35 . 1 . 1 4 4 LEU HD22 H 1 0.914 0.04 . 2 . . . . . 4 LEU HD2* . 27481 1 36 . 1 . 1 4 4 LEU HD23 H 1 0.914 0.04 . 2 . . . . . 4 LEU HD2* . 27481 1 37 . 1 . 1 4 4 LEU C C 13 177.794 0.4 . 1 . . . . . 4 LEU C . 27481 1 38 . 1 . 1 4 4 LEU CA C 13 55.647 0.40 . 1 . . . . . 4 LEU CA . 27481 1 39 . 1 . 1 4 4 LEU CB C 13 41.322 0.40 . 1 . . . . . 4 LEU CB . 27481 1 40 . 1 . 1 4 4 LEU CG C 13 27.105 0.40 . 1 . . . . . 4 LEU CG . 27481 1 41 . 1 . 1 4 4 LEU CD1 C 13 23.475 0.40 . 2 . . . . . 4 LEU CD1 . 27481 1 42 . 1 . 1 4 4 LEU CD2 C 13 24.898 0.40 . 2 . . . . . 4 LEU CD2 . 27481 1 43 . 1 . 1 4 4 LEU N N 15 118.847 0.2 . 1 . . . . . 4 LEU N . 27481 1 44 . 1 . 1 5 5 ARG H H 1 7.685 0.04 . 1 . . . . . 5 ARG H . 27481 1 45 . 1 . 1 5 5 ARG HA H 1 3.899 0.04 . 1 . . . . . 5 ARG HA . 27481 1 46 . 1 . 1 5 5 ARG HB2 H 1 1.929 0.04 . 1 . . . . . 5 ARG HB2 . 27481 1 47 . 1 . 1 5 5 ARG HB3 H 1 1.929 0.04 . 1 . . . . . 5 ARG HB3 . 27481 1 48 . 1 . 1 5 5 ARG C C 13 179.004 0.4 . 1 . . . . . 5 ARG C . 27481 1 49 . 1 . 1 5 5 ARG CA C 13 59.845 0.40 . 1 . . . . . 5 ARG CA . 27481 1 50 . 1 . 1 5 5 ARG CB C 13 29.840 0.40 . 1 . . . . . 5 ARG CB . 27481 1 51 . 1 . 1 5 5 ARG N N 15 119.609 0.2 . 1 . . . . . 5 ARG N . 27481 1 52 . 1 . 1 6 6 GLU H H 1 8.327 0.04 . 1 . . . . . 6 GLU H . 27481 1 53 . 1 . 1 6 6 GLU HA H 1 3.991 0.04 . 1 . . . . . 6 GLU HA . 27481 1 54 . 1 . 1 6 6 GLU HB2 H 1 1.985 0.04 . 1 . . . . . 6 GLU HB2 . 27481 1 55 . 1 . 1 6 6 GLU HB3 H 1 1.985 0.04 . 1 . . . . . 6 GLU HB3 . 27481 1 56 . 1 . 1 6 6 GLU C C 13 179.306 0.4 . 1 . . . . . 6 GLU C . 27481 1 57 . 1 . 1 6 6 GLU CA C 13 59.099 0.40 . 1 . . . . . 6 GLU CA . 27481 1 58 . 1 . 1 6 6 GLU CB C 13 28.830 0.40 . 1 . . . . . 6 GLU CB . 27481 1 59 . 1 . 1 6 6 GLU N N 15 118.428 0.2 . 1 . . . . . 6 GLU N . 27481 1 60 . 1 . 1 7 7 LEU H H 1 7.761 0.04 . 1 . . . . . 7 LEU H . 27481 1 61 . 1 . 1 7 7 LEU HA H 1 4.017 0.04 . 1 . . . . . 7 LEU HA . 27481 1 62 . 1 . 1 7 7 LEU HG H 1 1.719 0.04 . 1 . . . . . 7 LEU HG . 27481 1 63 . 1 . 1 7 7 LEU HD11 H 1 0.625 0.04 . 2 . . . . . 7 LEU HD1* . 27481 1 64 . 1 . 1 7 7 LEU HD12 H 1 0.625 0.04 . 2 . . . . . 7 LEU HD1* . 27481 1 65 . 1 . 1 7 7 LEU HD13 H 1 0.625 0.04 . 2 . . . . . 7 LEU HD1* . 27481 1 66 . 1 . 1 7 7 LEU HD21 H 1 0.735 0.04 . 2 . . . . . 7 LEU HD2* . 27481 1 67 . 1 . 1 7 7 LEU HD22 H 1 0.735 0.04 . 2 . . . . . 7 LEU HD2* . 27481 1 68 . 1 . 1 7 7 LEU HD23 H 1 0.735 0.04 . 2 . . . . . 7 LEU HD2* . 27481 1 69 . 1 . 1 7 7 LEU C C 13 178.375 0.4 . 1 . . . . . 7 LEU C . 27481 1 70 . 1 . 1 7 7 LEU CA C 13 58.167 0.40 . 1 . . . . . 7 LEU CA . 27481 1 71 . 1 . 1 7 7 LEU CG C 13 27.155 0.40 . 1 . . . . . 7 LEU CG . 27481 1 72 . 1 . 1 7 7 LEU CD1 C 13 24.505 0.40 . 2 . . . . . 7 LEU CD1 . 27481 1 73 . 1 . 1 7 7 LEU CD2 C 13 25.973 0.40 . 2 . . . . . 7 LEU CD2 . 27481 1 74 . 1 . 1 7 7 LEU N N 15 121.691 0.2 . 1 . . . . . 7 LEU N . 27481 1 75 . 1 . 1 8 8 LEU H H 1 8.096 0.04 . 1 . . . . . 8 LEU H . 27481 1 76 . 1 . 1 8 8 LEU HA H 1 3.980 0.04 . 1 . . . . . 8 LEU HA . 27481 1 77 . 1 . 1 8 8 LEU HB2 H 1 1.621 0.04 . 2 . . . . . 8 LEU HB2 . 27481 1 78 . 1 . 1 8 8 LEU HB3 H 1 1.687 0.04 . 2 . . . . . 8 LEU HB3 . 27481 1 79 . 1 . 1 8 8 LEU HG H 1 1.623 0.04 . 1 . . . . . 8 LEU HG . 27481 1 80 . 1 . 1 8 8 LEU HD11 H 1 0.862 0.04 . 2 . . . . . 8 LEU HD1* . 27481 1 81 . 1 . 1 8 8 LEU HD12 H 1 0.862 0.04 . 2 . . . . . 8 LEU HD1* . 27481 1 82 . 1 . 1 8 8 LEU HD13 H 1 0.862 0.04 . 2 . . . . . 8 LEU HD1* . 27481 1 83 . 1 . 1 8 8 LEU HD21 H 1 0.899 0.04 . 2 . . . . . 8 LEU HD2* . 27481 1 84 . 1 . 1 8 8 LEU HD22 H 1 0.899 0.04 . 2 . . . . . 8 LEU HD2* . 27481 1 85 . 1 . 1 8 8 LEU HD23 H 1 0.899 0.04 . 2 . . . . . 8 LEU HD2* . 27481 1 86 . 1 . 1 8 8 LEU C C 13 178.965 0.4 . 1 . . . . . 8 LEU C . 27481 1 87 . 1 . 1 8 8 LEU CA C 13 58.197 0.40 . 1 . . . . . 8 LEU CA . 27481 1 88 . 1 . 1 8 8 LEU CB C 13 41.478 0.40 . 1 . . . . . 8 LEU CB . 27481 1 89 . 1 . 1 8 8 LEU CG C 13 27.031 0.40 . 1 . . . . . 8 LEU CG . 27481 1 90 . 1 . 1 8 8 LEU CD1 C 13 24.853 0.40 . 2 . . . . . 8 LEU CD1 . 27481 1 91 . 1 . 1 8 8 LEU CD2 C 13 24.683 0.40 . 2 . . . . . 8 LEU CD2 . 27481 1 92 . 1 . 1 8 8 LEU N N 15 119.583 0.2 . 1 . . . . . 8 LEU N . 27481 1 93 . 1 . 1 9 9 LYS H H 1 7.808 0.04 . 1 . . . . . 9 LYS H . 27481 1 94 . 1 . 1 9 9 LYS HA H 1 4.034 0.04 . 1 . . . . . 9 LYS HA . 27481 1 95 . 1 . 1 9 9 LYS HB2 H 1 1.863 0.04 . 1 . . . . . 9 LYS HB2 . 27481 1 96 . 1 . 1 9 9 LYS HB3 H 1 1.863 0.04 . 1 . . . . . 9 LYS HB3 . 27481 1 97 . 1 . 1 9 9 LYS C C 13 179.253 0.4 . 1 . . . . . 9 LYS C . 27481 1 98 . 1 . 1 9 9 LYS CA C 13 59.603 0.40 . 1 . . . . . 9 LYS CA . 27481 1 99 . 1 . 1 9 9 LYS CB C 13 32.212 0.40 . 1 . . . . . 9 LYS CB . 27481 1 100 . 1 . 1 9 9 LYS N N 15 118.666 0.2 . 1 . . . . . 9 LYS N . 27481 1 101 . 1 . 1 10 10 ALA H H 1 7.804 0.04 . 1 . . . . . 10 ALA H . 27481 1 102 . 1 . 1 10 10 ALA HA H 1 4.160 0.04 . 1 . . . . . 10 ALA HA . 27481 1 103 . 1 . 1 10 10 ALA HB1 H 1 1.545 0.04 . 1 . . . . . 10 ALA HB* . 27481 1 104 . 1 . 1 10 10 ALA HB2 H 1 1.545 0.04 . 1 . . . . . 10 ALA HB* . 27481 1 105 . 1 . 1 10 10 ALA HB3 H 1 1.545 0.04 . 1 . . . . . 10 ALA HB* . 27481 1 106 . 1 . 1 10 10 ALA C C 13 181.101 0.4 . 1 . . . . . 10 ALA C . 27481 1 107 . 1 . 1 10 10 ALA CA C 13 55.109 0.40 . 1 . . . . . 10 ALA CA . 27481 1 108 . 1 . 1 10 10 ALA CB C 13 18.055 0.40 . 1 . . . . . 10 ALA CB . 27481 1 109 . 1 . 1 10 10 ALA N N 15 122.180 0.2 . 1 . . . . . 10 ALA N . 27481 1 110 . 1 . 1 11 11 GLU H H 1 8.422 0.04 . 1 . . . . . 11 GLU H . 27481 1 111 . 1 . 1 11 11 GLU HA H 1 4.383 0.04 . 1 . . . . . 11 GLU HA . 27481 1 112 . 1 . 1 11 11 GLU C C 13 178.274 0.4 . 1 . . . . . 11 GLU C . 27481 1 113 . 1 . 1 11 11 GLU CA C 13 58.719 0.40 . 1 . . . . . 11 GLU CA . 27481 1 114 . 1 . 1 11 11 GLU N N 15 119.587 0.2 . 1 . . . . . 11 GLU N . 27481 1 115 . 1 . 1 12 12 GLN H H 1 8.399 0.04 . 1 . . . . . 12 GLN H . 27481 1 116 . 1 . 1 12 12 GLN HA H 1 3.980 0.04 . 1 . . . . . 12 GLN HA . 27481 1 117 . 1 . 1 12 12 GLN HB2 H 1 2.025 0.04 . 1 . . . . . 12 GLN HB2 . 27481 1 118 . 1 . 1 12 12 GLN HB3 H 1 2.025 0.04 . 1 . . . . . 12 GLN HB3 . 27481 1 119 . 1 . 1 12 12 GLN HE21 H 1 6.767 0.04 . 2 . . . . . 12 GLN HE21 . 27481 1 120 . 1 . 1 12 12 GLN HE22 H 1 7.254 0.04 . 2 . . . . . 12 GLN HE22 . 27481 1 121 . 1 . 1 12 12 GLN C C 13 179.566 0.4 . 1 . . . . . 12 GLN C . 27481 1 122 . 1 . 1 12 12 GLN CA C 13 59.022 0.40 . 1 . . . . . 12 GLN CA . 27481 1 123 . 1 . 1 12 12 GLN CB C 13 27.835 0.40 . 1 . . . . . 12 GLN CB . 27481 1 124 . 1 . 1 12 12 GLN N N 15 116.830 0.2 . 1 . . . . . 12 GLN N . 27481 1 125 . 1 . 1 12 12 GLN NE2 N 15 110.664 0.2 . 1 . . . . . 12 GLN NE2 . 27481 1 126 . 1 . 1 13 13 GLN H H 1 7.981 0.04 . 1 . . . . . 13 GLN H . 27481 1 127 . 1 . 1 13 13 GLN HA H 1 4.033 0.04 . 1 . . . . . 13 GLN HA . 27481 1 128 . 1 . 1 13 13 GLN HB2 H 1 2.130 0.04 . 1 . . . . . 13 GLN HB2 . 27481 1 129 . 1 . 1 13 13 GLN HB3 H 1 2.130 0.04 . 1 . . . . . 13 GLN HB3 . 27481 1 130 . 1 . 1 13 13 GLN HG2 H 1 2.397 0.04 . 1 . . . . . 13 GLN HG2 . 27481 1 131 . 1 . 1 13 13 GLN HG3 H 1 2.397 0.04 . 1 . . . . . 13 GLN HG3 . 27481 1 132 . 1 . 1 13 13 GLN HE21 H 1 6.856 0.04 . 2 . . . . . 13 GLN HE21 . 27481 1 133 . 1 . 1 13 13 GLN HE22 H 1 7.315 0.04 . 2 . . . . . 13 GLN HE22 . 27481 1 134 . 1 . 1 13 13 GLN C C 13 177.490 0.4 . 1 . . . . . 13 GLN C . 27481 1 135 . 1 . 1 13 13 GLN CA C 13 58.588 0.40 . 1 . . . . . 13 GLN CA . 27481 1 136 . 1 . 1 13 13 GLN CB C 13 28.087 0.40 . 1 . . . . . 13 GLN CB . 27481 1 137 . 1 . 1 13 13 GLN CG C 13 33.565 0.40 . 1 . . . . . 13 GLN CG . 27481 1 138 . 1 . 1 13 13 GLN N N 15 119.737 0.2 . 1 . . . . . 13 GLN N . 27481 1 139 . 1 . 1 13 13 GLN NE2 N 15 111.422 0.2 . 1 . . . . . 13 GLN NE2 . 27481 1 140 . 1 . 1 14 14 ALA H H 1 7.797 0.04 . 1 . . . . . 14 ALA H . 27481 1 141 . 1 . 1 14 14 ALA HA H 1 3.768 0.04 . 1 . . . . . 14 ALA HA . 27481 1 142 . 1 . 1 14 14 ALA HB1 H 1 1.392 0.04 . 1 . . . . . 14 ALA HB* . 27481 1 143 . 1 . 1 14 14 ALA HB2 H 1 1.392 0.04 . 1 . . . . . 14 ALA HB* . 27481 1 144 . 1 . 1 14 14 ALA HB3 H 1 1.392 0.04 . 1 . . . . . 14 ALA HB* . 27481 1 145 . 1 . 1 14 14 ALA C C 13 178.431 0.4 . 1 . . . . . 14 ALA C . 27481 1 146 . 1 . 1 14 14 ALA CA C 13 55.373 0.40 . 1 . . . . . 14 ALA CA . 27481 1 147 . 1 . 1 14 14 ALA CB C 13 17.333 0.40 . 1 . . . . . 14 ALA CB . 27481 1 148 . 1 . 1 14 14 ALA N N 15 122.984 0.2 . 1 . . . . . 14 ALA N . 27481 1 149 . 1 . 1 15 15 ILE H H 1 8.322 0.04 . 1 . . . . . 15 ILE H . 27481 1 150 . 1 . 1 15 15 ILE HA H 1 3.398 0.04 . 1 . . . . . 15 ILE HA . 27481 1 151 . 1 . 1 15 15 ILE HB H 1 1.807 0.04 . 1 . . . . . 15 ILE HB . 27481 1 152 . 1 . 1 15 15 ILE HG12 H 1 0.855 0.04 . 1 . . . . . 15 ILE HG12 . 27481 1 153 . 1 . 1 15 15 ILE HG13 H 1 0.855 0.04 . 1 . . . . . 15 ILE HG13 . 27481 1 154 . 1 . 1 15 15 ILE HG21 H 1 0.878 0.04 . 1 . . . . . 15 ILE HG2* . 27481 1 155 . 1 . 1 15 15 ILE HG22 H 1 0.878 0.04 . 1 . . . . . 15 ILE HG2* . 27481 1 156 . 1 . 1 15 15 ILE HG23 H 1 0.878 0.04 . 1 . . . . . 15 ILE HG2* . 27481 1 157 . 1 . 1 15 15 ILE HD11 H 1 0.772 0.04 . 1 . . . . . 15 ILE HD1* . 27481 1 158 . 1 . 1 15 15 ILE HD12 H 1 0.772 0.04 . 1 . . . . . 15 ILE HD1* . 27481 1 159 . 1 . 1 15 15 ILE HD13 H 1 0.772 0.04 . 1 . . . . . 15 ILE HD1* . 27481 1 160 . 1 . 1 15 15 ILE C C 13 177.043 0.4 . 1 . . . . . 15 ILE C . 27481 1 161 . 1 . 1 15 15 ILE CA C 13 66.187 0.40 . 1 . . . . . 15 ILE CA . 27481 1 162 . 1 . 1 15 15 ILE CB C 13 38.450 0.40 . 1 . . . . . 15 ILE CB . 27481 1 163 . 1 . 1 15 15 ILE CG1 C 13 31.390 0.40 . 1 . . . . . 15 ILE CG1 . 27481 1 164 . 1 . 1 15 15 ILE CG2 C 13 17.014 0.40 . 1 . . . . . 15 ILE CG2 . 27481 1 165 . 1 . 1 15 15 ILE CD1 C 13 13.873 0.40 . 1 . . . . . 15 ILE CD1 . 27481 1 166 . 1 . 1 15 15 ILE N N 15 116.491 0.2 . 1 . . . . . 15 ILE N . 27481 1 167 . 1 . 1 16 16 LYS H H 1 7.424 0.04 . 1 . . . . . 16 LYS H . 27481 1 168 . 1 . 1 16 16 LYS HA H 1 3.858 0.04 . 1 . . . . . 16 LYS HA . 27481 1 169 . 1 . 1 16 16 LYS HB2 H 1 1.915 0.04 . 1 . . . . . 16 LYS HB2 . 27481 1 170 . 1 . 1 16 16 LYS HB3 H 1 1.915 0.04 . 1 . . . . . 16 LYS HB3 . 27481 1 171 . 1 . 1 16 16 LYS C C 13 179.602 0.4 . 1 . . . . . 16 LYS C . 27481 1 172 . 1 . 1 16 16 LYS CA C 13 60.226 0.40 . 1 . . . . . 16 LYS CA . 27481 1 173 . 1 . 1 16 16 LYS CB C 13 32.484 0.40 . 1 . . . . . 16 LYS CB . 27481 1 174 . 1 . 1 16 16 LYS N N 15 118.187 0.2 . 1 . . . . . 16 LYS N . 27481 1 175 . 1 . 1 17 17 ILE H H 1 7.529 0.04 . 1 . . . . . 17 ILE H . 27481 1 176 . 1 . 1 17 17 ILE HA H 1 3.777 0.04 . 1 . . . . . 17 ILE HA . 27481 1 177 . 1 . 1 17 17 ILE HB H 1 1.823 0.04 . 1 . . . . . 17 ILE HB . 27481 1 178 . 1 . 1 17 17 ILE HG12 H 1 1.176 0.04 . 2 . . . . . 17 ILE HG12 . 27481 1 179 . 1 . 1 17 17 ILE HG13 H 1 1.567 0.04 . 2 . . . . . 17 ILE HG13 . 27481 1 180 . 1 . 1 17 17 ILE HG21 H 1 0.789 0.04 . 1 . . . . . 17 ILE HG2* . 27481 1 181 . 1 . 1 17 17 ILE HG22 H 1 0.789 0.04 . 1 . . . . . 17 ILE HG2* . 27481 1 182 . 1 . 1 17 17 ILE HG23 H 1 0.789 0.04 . 1 . . . . . 17 ILE HG2* . 27481 1 183 . 1 . 1 17 17 ILE HD11 H 1 0.766 0.04 . 1 . . . . . 17 ILE HD1* . 27481 1 184 . 1 . 1 17 17 ILE HD12 H 1 0.766 0.04 . 1 . . . . . 17 ILE HD1* . 27481 1 185 . 1 . 1 17 17 ILE HD13 H 1 0.766 0.04 . 1 . . . . . 17 ILE HD1* . 27481 1 186 . 1 . 1 17 17 ILE C C 13 178.719 0.4 . 1 . . . . . 17 ILE C . 27481 1 187 . 1 . 1 17 17 ILE CA C 13 64.261 0.40 . 1 . . . . . 17 ILE CA . 27481 1 188 . 1 . 1 17 17 ILE CB C 13 37.296 0.40 . 1 . . . . . 17 ILE CB . 27481 1 189 . 1 . 1 17 17 ILE CG1 C 13 28.528 0.40 . 1 . . . . . 17 ILE CG1 . 27481 1 190 . 1 . 1 17 17 ILE CG2 C 13 17.156 0.40 . 1 . . . . . 17 ILE CG2 . 27481 1 191 . 1 . 1 17 17 ILE CD1 C 13 12.764 0.40 . 1 . . . . . 17 ILE CD1 . 27481 1 192 . 1 . 1 17 17 ILE N N 15 119.863 0.2 . 1 . . . . . 17 ILE N . 27481 1 193 . 1 . 1 18 18 TYR H H 1 8.791 0.04 . 1 . . . . . 18 TYR H . 27481 1 194 . 1 . 1 18 18 TYR HA H 1 4.242 0.04 . 1 . . . . . 18 TYR HA . 27481 1 195 . 1 . 1 18 18 TYR HB2 H 1 2.857 0.04 . 2 . . . . . 18 TYR HB2 . 27481 1 196 . 1 . 1 18 18 TYR HB3 H 1 3.081 0.04 . 2 . . . . . 18 TYR HB3 . 27481 1 197 . 1 . 1 18 18 TYR HD1 H 1 6.745 0.04 . 3 . . . . . 18 TYR HD* . 27481 1 198 . 1 . 1 18 18 TYR HD2 H 1 6.745 0.04 . 3 . . . . . 18 TYR HD* . 27481 1 199 . 1 . 1 18 18 TYR C C 13 178.538 0.4 . 1 . . . . . 18 TYR C . 27481 1 200 . 1 . 1 18 18 TYR CA C 13 60.298 0.40 . 1 . . . . . 18 TYR CA . 27481 1 201 . 1 . 1 18 18 TYR CB C 13 36.690 0.40 . 1 . . . . . 18 TYR CB . 27481 1 202 . 1 . 1 18 18 TYR CD1 C 13 131.046 0.4 . 3 . . . . . 18 TYR CD* . 27481 1 203 . 1 . 1 18 18 TYR CD2 C 13 131.046 0.4 . 3 . . . . . 18 TYR CD* . 27481 1 204 . 1 . 1 18 18 TYR N N 15 120.301 0.2 . 1 . . . . . 18 TYR N . 27481 1 205 . 1 . 1 19 19 LYS H H 1 8.624 0.04 . 1 . . . . . 19 LYS H . 27481 1 206 . 1 . 1 19 19 LYS HA H 1 3.860 0.04 . 1 . . . . . 19 LYS HA . 27481 1 207 . 1 . 1 19 19 LYS HB2 H 1 1.797 0.04 . 2 . . . . . 19 LYS HB2 . 27481 1 208 . 1 . 1 19 19 LYS HB3 H 1 1.950 0.04 . 2 . . . . . 19 LYS HB3 . 27481 1 209 . 1 . 1 19 19 LYS C C 13 179.739 0.4 . 1 . . . . . 19 LYS C . 27481 1 210 . 1 . 1 19 19 LYS CA C 13 60.806 0.40 . 1 . . . . . 19 LYS CA . 27481 1 211 . 1 . 1 19 19 LYS CB C 13 32.839 0.40 . 1 . . . . . 19 LYS CB . 27481 1 212 . 1 . 1 19 19 LYS N N 15 117.460 0.2 . 1 . . . . . 19 LYS N . 27481 1 213 . 1 . 1 20 20 GLU H H 1 7.669 0.04 . 1 . . . . . 20 GLU H . 27481 1 214 . 1 . 1 20 20 GLU HA H 1 4.098 0.04 . 1 . . . . . 20 GLU HA . 27481 1 215 . 1 . 1 20 20 GLU HB2 H 1 2.120 0.04 . 2 . . . . . 20 GLU HB2 . 27481 1 216 . 1 . 1 20 20 GLU HB3 H 1 2.242 0.04 . 2 . . . . . 20 GLU HB3 . 27481 1 217 . 1 . 1 20 20 GLU C C 13 179.361 0.4 . 1 . . . . . 20 GLU C . 27481 1 218 . 1 . 1 20 20 GLU CA C 13 59.246 0.40 . 1 . . . . . 20 GLU CA . 27481 1 219 . 1 . 1 20 20 GLU CB C 13 29.277 0.40 . 1 . . . . . 20 GLU CB . 27481 1 220 . 1 . 1 20 20 GLU N N 15 120.930 0.2 . 1 . . . . . 20 GLU N . 27481 1 221 . 1 . 1 21 21 VAL H H 1 8.606 0.04 . 1 . . . . . 21 VAL H . 27481 1 222 . 1 . 1 21 21 VAL HA H 1 3.620 0.04 . 1 . . . . . 21 VAL HA . 27481 1 223 . 1 . 1 21 21 VAL HB H 1 2.319 0.04 . 1 . . . . . 21 VAL HB . 27481 1 224 . 1 . 1 21 21 VAL HG11 H 1 1.119 0.04 . 2 . . . . . 21 VAL HG1* . 27481 1 225 . 1 . 1 21 21 VAL HG12 H 1 1.119 0.04 . 2 . . . . . 21 VAL HG1* . 27481 1 226 . 1 . 1 21 21 VAL HG13 H 1 1.119 0.04 . 2 . . . . . 21 VAL HG1* . 27481 1 227 . 1 . 1 21 21 VAL HG21 H 1 1.135 0.04 . 2 . . . . . 21 VAL HG2* . 27481 1 228 . 1 . 1 21 21 VAL HG22 H 1 1.135 0.04 . 2 . . . . . 21 VAL HG2* . 27481 1 229 . 1 . 1 21 21 VAL HG23 H 1 1.135 0.04 . 2 . . . . . 21 VAL HG2* . 27481 1 230 . 1 . 1 21 21 VAL C C 13 177.599 0.4 . 1 . . . . . 21 VAL C . 27481 1 231 . 1 . 1 21 21 VAL CA C 13 66.690 0.40 . 1 . . . . . 21 VAL CA . 27481 1 232 . 1 . 1 21 21 VAL CB C 13 31.263 0.40 . 1 . . . . . 21 VAL CB . 27481 1 233 . 1 . 1 21 21 VAL CG1 C 13 22.751 0.40 . 2 . . . . . 21 VAL CG1 . 27481 1 234 . 1 . 1 21 21 VAL CG2 C 13 23.622 0.40 . 2 . . . . . 21 VAL CG2 . 27481 1 235 . 1 . 1 21 21 VAL N N 15 120.613 0.2 . 1 . . . . . 21 VAL N . 27481 1 236 . 1 . 1 22 22 LEU H H 1 8.310 0.04 . 1 . . . . . 22 LEU H . 27481 1 237 . 1 . 1 22 22 LEU HA H 1 3.864 0.04 . 1 . . . . . 22 LEU HA . 27481 1 238 . 1 . 1 22 22 LEU HB2 H 1 1.563 0.04 . 2 . . . . . 22 LEU HB2 . 27481 1 239 . 1 . 1 22 22 LEU HB3 H 1 1.838 0.04 . 2 . . . . . 22 LEU HB3 . 27481 1 240 . 1 . 1 22 22 LEU HG H 1 1.557 0.04 . 1 . . . . . 22 LEU HG . 27481 1 241 . 1 . 1 22 22 LEU HD11 H 1 0.806 0.04 . 2 . . . . . 22 LEU HD1* . 27481 1 242 . 1 . 1 22 22 LEU HD12 H 1 0.806 0.04 . 2 . . . . . 22 LEU HD1* . 27481 1 243 . 1 . 1 22 22 LEU HD13 H 1 0.806 0.04 . 2 . . . . . 22 LEU HD1* . 27481 1 244 . 1 . 1 22 22 LEU HD21 H 1 0.847 0.04 . 2 . . . . . 22 LEU HD2* . 27481 1 245 . 1 . 1 22 22 LEU HD22 H 1 0.847 0.04 . 2 . . . . . 22 LEU HD2* . 27481 1 246 . 1 . 1 22 22 LEU HD23 H 1 0.847 0.04 . 2 . . . . . 22 LEU HD2* . 27481 1 247 . 1 . 1 22 22 LEU C C 13 178.068 0.4 . 1 . . . . . 22 LEU C . 27481 1 248 . 1 . 1 22 22 LEU CA C 13 58.217 0.40 . 1 . . . . . 22 LEU CA . 27481 1 249 . 1 . 1 22 22 LEU CB C 13 41.588 0.40 . 1 . . . . . 22 LEU CB . 27481 1 250 . 1 . 1 22 22 LEU CG C 13 26.757 0.40 . 1 . . . . . 22 LEU CG . 27481 1 251 . 1 . 1 22 22 LEU CD1 C 13 25.702 0.40 . 2 . . . . . 22 LEU CD1 . 27481 1 252 . 1 . 1 22 22 LEU CD2 C 13 24.384 0.40 . 2 . . . . . 22 LEU CD2 . 27481 1 253 . 1 . 1 22 22 LEU N N 15 120.347 0.2 . 1 . . . . . 22 LEU N . 27481 1 254 . 1 . 1 23 23 LYS H H 1 7.344 0.04 . 1 . . . . . 23 LYS H . 27481 1 255 . 1 . 1 23 23 LYS HA H 1 3.934 0.04 . 1 . . . . . 23 LYS HA . 27481 1 256 . 1 . 1 23 23 LYS HB2 H 1 1.916 0.04 . 1 . . . . . 23 LYS HB2 . 27481 1 257 . 1 . 1 23 23 LYS HB3 H 1 1.916 0.04 . 1 . . . . . 23 LYS HB3 . 27481 1 258 . 1 . 1 23 23 LYS C C 13 179.125 0.4 . 1 . . . . . 23 LYS C . 27481 1 259 . 1 . 1 23 23 LYS CA C 13 59.572 0.40 . 1 . . . . . 23 LYS CA . 27481 1 260 . 1 . 1 23 23 LYS CB C 13 32.505 0.40 . 1 . . . . . 23 LYS CB . 27481 1 261 . 1 . 1 23 23 LYS N N 15 117.233 0.2 . 1 . . . . . 23 LYS N . 27481 1 262 . 1 . 1 24 24 LYS H H 1 7.741 0.04 . 1 . . . . . 24 LYS H . 27481 1 263 . 1 . 1 24 24 LYS HA H 1 4.131 0.04 . 1 . . . . . 24 LYS HA . 27481 1 264 . 1 . 1 24 24 LYS HB2 H 1 1.891 0.04 . 1 . . . . . 24 LYS HB2 . 27481 1 265 . 1 . 1 24 24 LYS HB3 H 1 1.891 0.04 . 1 . . . . . 24 LYS HB3 . 27481 1 266 . 1 . 1 24 24 LYS C C 13 179.264 0.4 . 1 . . . . . 24 LYS C . 27481 1 267 . 1 . 1 24 24 LYS CA C 13 58.130 0.40 . 1 . . . . . 24 LYS CA . 27481 1 268 . 1 . 1 24 24 LYS CB C 13 32.590 0.40 . 1 . . . . . 24 LYS CB . 27481 1 269 . 1 . 1 24 24 LYS N N 15 117.613 0.2 . 1 . . . . . 24 LYS N . 27481 1 270 . 1 . 1 25 25 ALA H H 1 8.772 0.04 . 1 . . . . . 25 ALA H . 27481 1 271 . 1 . 1 25 25 ALA HA H 1 3.995 0.04 . 1 . . . . . 25 ALA HA . 27481 1 272 . 1 . 1 25 25 ALA HB1 H 1 1.518 0.04 . 1 . . . . . 25 ALA HB* . 27481 1 273 . 1 . 1 25 25 ALA HB2 H 1 1.518 0.04 . 1 . . . . . 25 ALA HB* . 27481 1 274 . 1 . 1 25 25 ALA HB3 H 1 1.518 0.04 . 1 . . . . . 25 ALA HB* . 27481 1 275 . 1 . 1 25 25 ALA C C 13 179.415 0.4 . 1 . . . . . 25 ALA C . 27481 1 276 . 1 . 1 25 25 ALA CA C 13 54.698 0.40 . 1 . . . . . 25 ALA CA . 27481 1 277 . 1 . 1 25 25 ALA CB C 13 18.119 0.40 . 1 . . . . . 25 ALA CB . 27481 1 278 . 1 . 1 25 25 ALA N N 15 122.670 0.2 . 1 . . . . . 25 ALA N . 27481 1 279 . 1 . 1 26 26 LYS H H 1 7.861 0.04 . 1 . . . . . 26 LYS H . 27481 1 280 . 1 . 1 26 26 LYS HA H 1 4.089 0.04 . 1 . . . . . 26 LYS HA . 27481 1 281 . 1 . 1 26 26 LYS HB2 H 1 1.870 0.04 . 1 . . . . . 26 LYS HB2 . 27481 1 282 . 1 . 1 26 26 LYS HB3 H 1 1.870 0.04 . 1 . . . . . 26 LYS HB3 . 27481 1 283 . 1 . 1 26 26 LYS C C 13 177.640 0.4 . 1 . . . . . 26 LYS C . 27481 1 284 . 1 . 1 26 26 LYS CA C 13 57.939 0.40 . 1 . . . . . 26 LYS CA . 27481 1 285 . 1 . 1 26 26 LYS CB C 13 32.450 0.40 . 1 . . . . . 26 LYS CB . 27481 1 286 . 1 . 1 26 26 LYS N N 15 116.391 0.2 . 1 . . . . . 26 LYS N . 27481 1 287 . 1 . 1 27 27 GLU H H 1 7.718 0.04 . 1 . . . . . 27 GLU H . 27481 1 288 . 1 . 1 27 27 GLU HA H 1 4.243 0.04 . 1 . . . . . 27 GLU HA . 27481 1 289 . 1 . 1 27 27 GLU HB2 H 1 2.025 0.04 . 2 . . . . . 27 GLU HB2 . 27481 1 290 . 1 . 1 27 27 GLU HB3 H 1 2.100 0.04 . 2 . . . . . 27 GLU HB3 . 27481 1 291 . 1 . 1 27 27 GLU C C 13 177.705 0.4 . 1 . . . . . 27 GLU C . 27481 1 292 . 1 . 1 27 27 GLU CA C 13 56.962 0.40 . 1 . . . . . 27 GLU CA . 27481 1 293 . 1 . 1 27 27 GLU CB C 13 30.049 0.40 . 1 . . . . . 27 GLU CB . 27481 1 294 . 1 . 1 27 27 GLU N N 15 117.391 0.2 . 1 . . . . . 27 GLU N . 27481 1 295 . 1 . 1 28 28 GLY H H 1 7.738 0.04 . 1 . . . . . 28 GLY H . 27481 1 296 . 1 . 1 28 28 GLY HA2 H 1 3.860 0.04 . 2 . . . . . 28 GLY HA2 . 27481 1 297 . 1 . 1 28 28 GLY HA3 H 1 3.891 0.04 . 2 . . . . . 28 GLY HA3 . 27481 1 298 . 1 . 1 28 28 GLY C C 13 173.621 0.4 . 1 . . . . . 28 GLY C . 27481 1 299 . 1 . 1 28 28 GLY CA C 13 45.906 0.40 . 1 . . . . . 28 GLY CA . 27481 1 300 . 1 . 1 28 28 GLY N N 15 106.917 0.2 . 1 . . . . . 28 GLY N . 27481 1 301 . 1 . 1 29 29 ASP H H 1 8.101 0.04 . 1 . . . . . 29 ASP H . 27481 1 302 . 1 . 1 29 29 ASP HA H 1 4.694 0.04 . 1 . . . . . 29 ASP HA . 27481 1 303 . 1 . 1 29 29 ASP HB2 H 1 2.680 0.04 . 2 . . . . . 29 ASP HB2 . 27481 1 304 . 1 . 1 29 29 ASP HB3 H 1 2.824 0.04 . 2 . . . . . 29 ASP HB3 . 27481 1 305 . 1 . 1 29 29 ASP C C 13 176.925 0.4 . 1 . . . . . 29 ASP C . 27481 1 306 . 1 . 1 29 29 ASP CA C 13 53.214 0.40 . 1 . . . . . 29 ASP CA . 27481 1 307 . 1 . 1 29 29 ASP CB C 13 41.227 0.40 . 1 . . . . . 29 ASP CB . 27481 1 308 . 1 . 1 29 29 ASP N N 15 120.000 0.2 . 1 . . . . . 29 ASP N . 27481 1 309 . 1 . 1 30 30 GLU H H 1 8.792 0.04 . 1 . . . . . 30 GLU H . 27481 1 310 . 1 . 1 30 30 GLU HA H 1 3.966 0.04 . 1 . . . . . 30 GLU HA . 27481 1 311 . 1 . 1 30 30 GLU HB2 H 1 2.051 0.04 . 1 . . . . . 30 GLU HB2 . 27481 1 312 . 1 . 1 30 30 GLU HB3 H 1 2.051 0.04 . 1 . . . . . 30 GLU HB3 . 27481 1 313 . 1 . 1 30 30 GLU C C 13 178.520 0.4 . 1 . . . . . 30 GLU C . 27481 1 314 . 1 . 1 30 30 GLU CA C 13 59.372 0.40 . 1 . . . . . 30 GLU CA . 27481 1 315 . 1 . 1 30 30 GLU CB C 13 29.384 0.40 . 1 . . . . . 30 GLU CB . 27481 1 316 . 1 . 1 30 30 GLU N N 15 123.423 0.2 . 1 . . . . . 30 GLU N . 27481 1 317 . 1 . 1 31 31 GLN H H 1 8.396 0.04 . 1 . . . . . 31 GLN H . 27481 1 318 . 1 . 1 31 31 GLN HA H 1 4.128 0.04 . 1 . . . . . 31 GLN HA . 27481 1 319 . 1 . 1 31 31 GLN HB2 H 1 2.129 0.04 . 1 . . . . . 31 GLN HB2 . 27481 1 320 . 1 . 1 31 31 GLN HB3 H 1 2.129 0.04 . 1 . . . . . 31 GLN HB3 . 27481 1 321 . 1 . 1 31 31 GLN HE21 H 1 6.818 0.04 . 2 . . . . . 31 GLN HE21 . 27481 1 322 . 1 . 1 31 31 GLN HE22 H 1 7.673 0.04 . 2 . . . . . 31 GLN HE22 . 27481 1 323 . 1 . 1 31 31 GLN C C 13 177.944 0.4 . 1 . . . . . 31 GLN C . 27481 1 324 . 1 . 1 31 31 GLN CA C 13 58.127 0.40 . 1 . . . . . 31 GLN CA . 27481 1 325 . 1 . 1 31 31 GLN CB C 13 28.422 0.40 . 1 . . . . . 31 GLN CB . 27481 1 326 . 1 . 1 31 31 GLN N N 15 119.030 0.2 . 1 . . . . . 31 GLN N . 27481 1 327 . 1 . 1 31 31 GLN NE2 N 15 112.710 0.2 . 1 . . . . . 31 GLN NE2 . 27481 1 328 . 1 . 1 32 32 GLU H H 1 7.914 0.04 . 1 . . . . . 32 GLU H . 27481 1 329 . 1 . 1 32 32 GLU HA H 1 4.298 0.04 . 1 . . . . . 32 GLU HA . 27481 1 330 . 1 . 1 32 32 GLU HB2 H 1 2.018 0.04 . 1 . . . . . 32 GLU HB2 . 27481 1 331 . 1 . 1 32 32 GLU HB3 H 1 2.018 0.04 . 1 . . . . . 32 GLU HB3 . 27481 1 332 . 1 . 1 32 32 GLU C C 13 177.630 0.4 . 1 . . . . . 32 GLU C . 27481 1 333 . 1 . 1 32 32 GLU CA C 13 56.943 0.40 . 1 . . . . . 32 GLU CA . 27481 1 334 . 1 . 1 32 32 GLU CB C 13 29.741 0.40 . 1 . . . . . 32 GLU CB . 27481 1 335 . 1 . 1 32 32 GLU N N 15 120.130 0.2 . 1 . . . . . 32 GLU N . 27481 1 336 . 1 . 1 33 33 LEU H H 1 7.741 0.04 . 1 . . . . . 33 LEU H . 27481 1 337 . 1 . 1 33 33 LEU HA H 1 3.729 0.04 . 1 . . . . . 33 LEU HA . 27481 1 338 . 1 . 1 33 33 LEU HB2 H 1 1.513 0.04 . 1 . . . . . 33 LEU HB2 . 27481 1 339 . 1 . 1 33 33 LEU HB3 H 1 1.513 0.04 . 1 . . . . . 33 LEU HB3 . 27481 1 340 . 1 . 1 33 33 LEU HG H 1 1.356 0.04 . 1 . . . . . 33 LEU HG . 27481 1 341 . 1 . 1 33 33 LEU HD11 H 1 0.557 0.04 . 2 . . . . . 33 LEU HD1* . 27481 1 342 . 1 . 1 33 33 LEU HD12 H 1 0.557 0.04 . 2 . . . . . 33 LEU HD1* . 27481 1 343 . 1 . 1 33 33 LEU HD13 H 1 0.557 0.04 . 2 . . . . . 33 LEU HD1* . 27481 1 344 . 1 . 1 33 33 LEU HD21 H 1 0.592 0.04 . 2 . . . . . 33 LEU HD2* . 27481 1 345 . 1 . 1 33 33 LEU HD22 H 1 0.592 0.04 . 2 . . . . . 33 LEU HD2* . 27481 1 346 . 1 . 1 33 33 LEU HD23 H 1 0.592 0.04 . 2 . . . . . 33 LEU HD2* . 27481 1 347 . 1 . 1 33 33 LEU C C 13 177.654 0.4 . 1 . . . . . 33 LEU C . 27481 1 348 . 1 . 1 33 33 LEU CA C 13 58.506 0.40 . 1 . . . . . 33 LEU CA . 27481 1 349 . 1 . 1 33 33 LEU CB C 13 41.448 0.40 . 1 . . . . . 33 LEU CB . 27481 1 350 . 1 . 1 33 33 LEU CG C 13 26.652 0.40 . 1 . . . . . 33 LEU CG . 27481 1 351 . 1 . 1 33 33 LEU CD1 C 13 24.195 0.40 . 2 . . . . . 33 LEU CD1 . 27481 1 352 . 1 . 1 33 33 LEU CD2 C 13 24.679 0.40 . 2 . . . . . 33 LEU CD2 . 27481 1 353 . 1 . 1 33 33 LEU N N 15 120.525 0.2 . 1 . . . . . 33 LEU N . 27481 1 354 . 1 . 1 34 34 ALA H H 1 7.984 0.04 . 1 . . . . . 34 ALA H . 27481 1 355 . 1 . 1 34 34 ALA HA H 1 3.852 0.04 . 1 . . . . . 34 ALA HA . 27481 1 356 . 1 . 1 34 34 ALA HB1 H 1 1.402 0.04 . 1 . . . . . 34 ALA HB* . 27481 1 357 . 1 . 1 34 34 ALA HB2 H 1 1.402 0.04 . 1 . . . . . 34 ALA HB* . 27481 1 358 . 1 . 1 34 34 ALA HB3 H 1 1.402 0.04 . 1 . . . . . 34 ALA HB* . 27481 1 359 . 1 . 1 34 34 ALA C C 13 180.701 0.4 . 1 . . . . . 34 ALA C . 27481 1 360 . 1 . 1 34 34 ALA CA C 13 55.499 0.40 . 1 . . . . . 34 ALA CA . 27481 1 361 . 1 . 1 34 34 ALA CB C 13 17.809 0.40 . 1 . . . . . 34 ALA CB . 27481 1 362 . 1 . 1 34 34 ALA N N 15 118.540 0.2 . 1 . . . . . 34 ALA N . 27481 1 363 . 1 . 1 35 35 ARG H H 1 7.586 0.04 . 1 . . . . . 35 ARG H . 27481 1 364 . 1 . 1 35 35 ARG HA H 1 4.003 0.04 . 1 . . . . . 35 ARG HA . 27481 1 365 . 1 . 1 35 35 ARG HB2 H 1 1.920 0.04 . 1 . . . . . 35 ARG HB2 . 27481 1 366 . 1 . 1 35 35 ARG HB3 H 1 1.920 0.04 . 1 . . . . . 35 ARG HB3 . 27481 1 367 . 1 . 1 35 35 ARG C C 13 179.129 0.4 . 1 . . . . . 35 ARG C . 27481 1 368 . 1 . 1 35 35 ARG CA C 13 59.165 0.40 . 1 . . . . . 35 ARG CA . 27481 1 369 . 1 . 1 35 35 ARG CB C 13 30.096 0.40 . 1 . . . . . 35 ARG CB . 27481 1 370 . 1 . 1 35 35 ARG N N 15 118.253 0.2 . 1 . . . . . 35 ARG N . 27481 1 371 . 1 . 1 36 36 LEU H H 1 8.085 0.04 . 1 . . . . . 36 LEU H . 27481 1 372 . 1 . 1 36 36 LEU HA H 1 4.041 0.04 . 1 . . . . . 36 LEU HA . 27481 1 373 . 1 . 1 36 36 LEU HB2 H 1 1.472 0.04 . 2 . . . . . 36 LEU HB2 . 27481 1 374 . 1 . 1 36 36 LEU HB3 H 1 1.876 0.04 . 2 . . . . . 36 LEU HB3 . 27481 1 375 . 1 . 1 36 36 LEU HG H 1 1.866 0.04 . 1 . . . . . 36 LEU HG . 27481 1 376 . 1 . 1 36 36 LEU HD11 H 1 0.859 0.04 . 2 . . . . . 36 LEU HD1* . 27481 1 377 . 1 . 1 36 36 LEU HD12 H 1 0.859 0.04 . 2 . . . . . 36 LEU HD1* . 27481 1 378 . 1 . 1 36 36 LEU HD13 H 1 0.859 0.04 . 2 . . . . . 36 LEU HD1* . 27481 1 379 . 1 . 1 36 36 LEU HD21 H 1 0.884 0.04 . 2 . . . . . 36 LEU HD2* . 27481 1 380 . 1 . 1 36 36 LEU HD22 H 1 0.884 0.04 . 2 . . . . . 36 LEU HD2* . 27481 1 381 . 1 . 1 36 36 LEU HD23 H 1 0.884 0.04 . 2 . . . . . 36 LEU HD2* . 27481 1 382 . 1 . 1 36 36 LEU C C 13 179.335 0.4 . 1 . . . . . 36 LEU C . 27481 1 383 . 1 . 1 36 36 LEU CA C 13 57.890 0.40 . 1 . . . . . 36 LEU CA . 27481 1 384 . 1 . 1 36 36 LEU CB C 13 41.727 0.40 . 1 . . . . . 36 LEU CB . 27481 1 385 . 1 . 1 36 36 LEU CG C 13 26.646 0.40 . 1 . . . . . 36 LEU CG . 27481 1 386 . 1 . 1 36 36 LEU CD1 C 13 25.536 0.40 . 2 . . . . . 36 LEU CD1 . 27481 1 387 . 1 . 1 36 36 LEU CD2 C 13 22.863 0.40 . 2 . . . . . 36 LEU CD2 . 27481 1 388 . 1 . 1 36 36 LEU N N 15 120.818 0.2 . 1 . . . . . 36 LEU N . 27481 1 389 . 1 . 1 37 37 ILE H H 1 8.278 0.04 . 1 . . . . . 37 ILE H . 27481 1 390 . 1 . 1 37 37 ILE HA H 1 3.524 0.04 . 1 . . . . . 37 ILE HA . 27481 1 391 . 1 . 1 37 37 ILE HB H 1 1.719 0.04 . 1 . . . . . 37 ILE HB . 27481 1 392 . 1 . 1 37 37 ILE HG12 H 1 0.475 0.04 . 2 . . . . . 37 ILE HG12 . 27481 1 393 . 1 . 1 37 37 ILE HG13 H 1 1.234 0.04 . 2 . . . . . 37 ILE HG13 . 27481 1 394 . 1 . 1 37 37 ILE HG21 H 1 0.794 0.04 . 1 . . . . . 37 ILE HG2* . 27481 1 395 . 1 . 1 37 37 ILE HG22 H 1 0.794 0.04 . 1 . . . . . 37 ILE HG2* . 27481 1 396 . 1 . 1 37 37 ILE HG23 H 1 0.794 0.04 . 1 . . . . . 37 ILE HG2* . 27481 1 397 . 1 . 1 37 37 ILE HD11 H 1 0.466 0.04 . 1 . . . . . 37 ILE HD1* . 27481 1 398 . 1 . 1 37 37 ILE HD12 H 1 0.466 0.04 . 1 . . . . . 37 ILE HD1* . 27481 1 399 . 1 . 1 37 37 ILE HD13 H 1 0.466 0.04 . 1 . . . . . 37 ILE HD1* . 27481 1 400 . 1 . 1 37 37 ILE C C 13 177.978 0.4 . 1 . . . . . 37 ILE C . 27481 1 401 . 1 . 1 37 37 ILE CA C 13 65.844 0.40 . 1 . . . . . 37 ILE CA . 27481 1 402 . 1 . 1 37 37 ILE CB C 13 37.652 0.40 . 1 . . . . . 37 ILE CB . 27481 1 403 . 1 . 1 37 37 ILE CG1 C 13 29.666 0.40 . 1 . . . . . 37 ILE CG1 . 27481 1 404 . 1 . 1 37 37 ILE CG2 C 13 17.498 0.40 . 1 . . . . . 37 ILE CG2 . 27481 1 405 . 1 . 1 37 37 ILE CD1 C 13 13.114 0.40 . 1 . . . . . 37 ILE CD1 . 27481 1 406 . 1 . 1 37 37 ILE N N 15 118.704 0.2 . 1 . . . . . 37 ILE N . 27481 1 407 . 1 . 1 38 38 GLN H H 1 7.521 0.04 . 1 . . . . . 38 GLN H . 27481 1 408 . 1 . 1 38 38 GLN HA H 1 3.963 0.04 . 1 . . . . . 38 GLN HA . 27481 1 409 . 1 . 1 38 38 GLN HB2 H 1 2.201 0.04 . 1 . . . . . 38 GLN HB2 . 27481 1 410 . 1 . 1 38 38 GLN HB3 H 1 2.201 0.04 . 1 . . . . . 38 GLN HB3 . 27481 1 411 . 1 . 1 38 38 GLN HE21 H 1 6.799 0.04 . 2 . . . . . 38 GLN HE21 . 27481 1 412 . 1 . 1 38 38 GLN HE22 H 1 7.456 0.04 . 2 . . . . . 38 GLN HE22 . 27481 1 413 . 1 . 1 38 38 GLN C C 13 178.879 0.4 . 1 . . . . . 38 GLN C . 27481 1 414 . 1 . 1 38 38 GLN CA C 13 58.875 0.40 . 1 . . . . . 38 GLN CA . 27481 1 415 . 1 . 1 38 38 GLN CB C 13 27.948 0.40 . 1 . . . . . 38 GLN CB . 27481 1 416 . 1 . 1 38 38 GLN N N 15 116.855 0.2 . 1 . . . . . 38 GLN N . 27481 1 417 . 1 . 1 38 38 GLN NE2 N 15 111.757 0.2 . 1 . . . . . 38 GLN NE2 . 27481 1 418 . 1 . 1 39 39 GLU H H 1 7.965 0.04 . 1 . . . . . 39 GLU H . 27481 1 419 . 1 . 1 39 39 GLU HA H 1 4.051 0.04 . 1 . . . . . 39 GLU HA . 27481 1 420 . 1 . 1 39 39 GLU HB2 H 1 2.112 0.04 . 2 . . . . . 39 GLU HB2 . 27481 1 421 . 1 . 1 39 39 GLU HB3 H 1 2.247 0.04 . 2 . . . . . 39 GLU HB3 . 27481 1 422 . 1 . 1 39 39 GLU C C 13 179.757 0.4 . 1 . . . . . 39 GLU C . 27481 1 423 . 1 . 1 39 39 GLU CA C 13 59.535 0.40 . 1 . . . . . 39 GLU CA . 27481 1 424 . 1 . 1 39 39 GLU CB C 13 29.410 0.40 . 1 . . . . . 39 GLU CB . 27481 1 425 . 1 . 1 39 39 GLU N N 15 119.698 0.2 . 1 . . . . . 39 GLU N . 27481 1 426 . 1 . 1 40 40 ILE H H 1 8.111 0.04 . 1 . . . . . 40 ILE H . 27481 1 427 . 1 . 1 40 40 ILE HA H 1 3.951 0.04 . 1 . . . . . 40 ILE HA . 27481 1 428 . 1 . 1 40 40 ILE HB H 1 2.165 0.04 . 1 . . . . . 40 ILE HB . 27481 1 429 . 1 . 1 40 40 ILE HG12 H 1 1.343 0.04 . 2 . . . . . 40 ILE HG12 . 27481 1 430 . 1 . 1 40 40 ILE HG13 H 1 1.735 0.04 . 2 . . . . . 40 ILE HG13 . 27481 1 431 . 1 . 1 40 40 ILE HG21 H 1 1.006 0.04 . 1 . . . . . 40 ILE HG2* . 27481 1 432 . 1 . 1 40 40 ILE HG22 H 1 1.006 0.04 . 1 . . . . . 40 ILE HG2* . 27481 1 433 . 1 . 1 40 40 ILE HG23 H 1 1.006 0.04 . 1 . . . . . 40 ILE HG2* . 27481 1 434 . 1 . 1 40 40 ILE HD11 H 1 0.741 0.04 . 1 . . . . . 40 ILE HD1* . 27481 1 435 . 1 . 1 40 40 ILE HD12 H 1 0.741 0.04 . 1 . . . . . 40 ILE HD1* . 27481 1 436 . 1 . 1 40 40 ILE HD13 H 1 0.741 0.04 . 1 . . . . . 40 ILE HD1* . 27481 1 437 . 1 . 1 40 40 ILE C C 13 177.640 0.4 . 1 . . . . . 40 ILE C . 27481 1 438 . 1 . 1 40 40 ILE CA C 13 64.389 0.40 . 1 . . . . . 40 ILE CA . 27481 1 439 . 1 . 1 40 40 ILE CB C 13 37.033 0.40 . 1 . . . . . 40 ILE CB . 27481 1 440 . 1 . 1 40 40 ILE CG1 C 13 28.876 0.40 . 1 . . . . . 40 ILE CG1 . 27481 1 441 . 1 . 1 40 40 ILE CG2 C 13 18.921 0.40 . 1 . . . . . 40 ILE CG2 . 27481 1 442 . 1 . 1 40 40 ILE CD1 C 13 13.512 0.40 . 1 . . . . . 40 ILE CD1 . 27481 1 443 . 1 . 1 40 40 ILE N N 15 120.358 0.2 . 1 . . . . . 40 ILE N . 27481 1 444 . 1 . 1 41 41 VAL H H 1 8.552 0.04 . 1 . . . . . 41 VAL H . 27481 1 445 . 1 . 1 41 41 VAL HA H 1 3.471 0.04 . 1 . . . . . 41 VAL HA . 27481 1 446 . 1 . 1 41 41 VAL HB H 1 2.150 0.04 . 1 . . . . . 41 VAL HB . 27481 1 447 . 1 . 1 41 41 VAL HG11 H 1 0.931 0.04 . 2 . . . . . 41 VAL HG1* . 27481 1 448 . 1 . 1 41 41 VAL HG12 H 1 0.931 0.04 . 2 . . . . . 41 VAL HG1* . 27481 1 449 . 1 . 1 41 41 VAL HG13 H 1 0.931 0.04 . 2 . . . . . 41 VAL HG1* . 27481 1 450 . 1 . 1 41 41 VAL HG21 H 1 1.064 0.04 . 2 . . . . . 41 VAL HG2* . 27481 1 451 . 1 . 1 41 41 VAL HG22 H 1 1.064 0.04 . 2 . . . . . 41 VAL HG2* . 27481 1 452 . 1 . 1 41 41 VAL HG23 H 1 1.064 0.04 . 2 . . . . . 41 VAL HG2* . 27481 1 453 . 1 . 1 41 41 VAL C C 13 177.979 0.4 . 1 . . . . . 41 VAL C . 27481 1 454 . 1 . 1 41 41 VAL CA C 13 67.745 0.40 . 1 . . . . . 41 VAL CA . 27481 1 455 . 1 . 1 41 41 VAL CB C 13 31.624 0.40 . 1 . . . . . 41 VAL CB . 27481 1 456 . 1 . 1 41 41 VAL CG1 C 13 21.398 0.40 . 2 . . . . . 41 VAL CG1 . 27481 1 457 . 1 . 1 41 41 VAL CG2 C 13 24.122 0.40 . 2 . . . . . 41 VAL CG2 . 27481 1 458 . 1 . 1 41 41 VAL N N 15 121.809 0.2 . 1 . . . . . 41 VAL N . 27481 1 459 . 1 . 1 42 42 LYS H H 1 8.004 0.04 . 1 . . . . . 42 LYS H . 27481 1 460 . 1 . 1 42 42 LYS HA H 1 3.913 0.04 . 1 . . . . . 42 LYS HA . 27481 1 461 . 1 . 1 42 42 LYS HB2 H 1 1.906 0.04 . 1 . . . . . 42 LYS HB2 . 27481 1 462 . 1 . 1 42 42 LYS HB3 H 1 1.906 0.04 . 1 . . . . . 42 LYS HB3 . 27481 1 463 . 1 . 1 42 42 LYS C C 13 179.314 0.4 . 1 . . . . . 42 LYS C . 27481 1 464 . 1 . 1 42 42 LYS CA C 13 60.165 0.40 . 1 . . . . . 42 LYS CA . 27481 1 465 . 1 . 1 42 42 LYS CB C 13 32.511 0.40 . 1 . . . . . 42 LYS CB . 27481 1 466 . 1 . 1 42 42 LYS N N 15 118.613 0.2 . 1 . . . . . 42 LYS N . 27481 1 467 . 1 . 1 43 43 ALA H H 1 7.761 0.04 . 1 . . . . . 43 ALA H . 27481 1 468 . 1 . 1 43 43 ALA HA H 1 4.172 0.04 . 1 . . . . . 43 ALA HA . 27481 1 469 . 1 . 1 43 43 ALA HB1 H 1 1.607 0.04 . 1 . . . . . 43 ALA HB* . 27481 1 470 . 1 . 1 43 43 ALA HB2 H 1 1.607 0.04 . 1 . . . . . 43 ALA HB* . 27481 1 471 . 1 . 1 43 43 ALA HB3 H 1 1.607 0.04 . 1 . . . . . 43 ALA HB* . 27481 1 472 . 1 . 1 43 43 ALA C C 13 180.912 0.4 . 1 . . . . . 43 ALA C . 27481 1 473 . 1 . 1 43 43 ALA CA C 13 54.959 0.40 . 1 . . . . . 43 ALA CA . 27481 1 474 . 1 . 1 43 43 ALA CB C 13 18.495 0.40 . 1 . . . . . 43 ALA CB . 27481 1 475 . 1 . 1 43 43 ALA N N 15 121.914 0.2 . 1 . . . . . 43 ALA N . 27481 1 476 . 1 . 1 44 44 GLU H H 1 8.896 0.04 . 1 . . . . . 44 GLU H . 27481 1 477 . 1 . 1 44 44 GLU C C 13 178.381 0.4 . 1 . . . . . 44 GLU C . 27481 1 478 . 1 . 1 44 44 GLU N N 15 120.753 0.2 . 1 . . . . . 44 GLU N . 27481 1 479 . 1 . 1 45 45 LYS H H 1 8.463 0.04 . 1 . . . . . 45 LYS H . 27481 1 480 . 1 . 1 45 45 LYS HA H 1 3.853 0.04 . 1 . . . . . 45 LYS HA . 27481 1 481 . 1 . 1 45 45 LYS HB2 H 1 1.809 0.04 . 2 . . . . . 45 LYS HB2 . 27481 1 482 . 1 . 1 45 45 LYS HB3 H 1 1.936 0.04 . 2 . . . . . 45 LYS HB3 . 27481 1 483 . 1 . 1 45 45 LYS C C 13 179.959 0.4 . 1 . . . . . 45 LYS C . 27481 1 484 . 1 . 1 45 45 LYS CA C 13 60.031 0.40 . 1 . . . . . 45 LYS CA . 27481 1 485 . 1 . 1 45 45 LYS CB C 13 32.248 0.40 . 1 . . . . . 45 LYS CB . 27481 1 486 . 1 . 1 45 45 LYS N N 15 118.261 0.2 . 1 . . . . . 45 LYS N . 27481 1 487 . 1 . 1 46 46 GLN H H 1 7.591 0.04 . 1 . . . . . 46 GLN H . 27481 1 488 . 1 . 1 46 46 GLN HA H 1 4.066 0.04 . 1 . . . . . 46 GLN HA . 27481 1 489 . 1 . 1 46 46 GLN HB2 H 1 2.124 0.04 . 1 . . . . . 46 GLN HB2 . 27481 1 490 . 1 . 1 46 46 GLN HB3 H 1 2.124 0.04 . 1 . . . . . 46 GLN HB3 . 27481 1 491 . 1 . 1 46 46 GLN HE21 H 1 6.810 0.04 . 2 . . . . . 46 GLN HE21 . 27481 1 492 . 1 . 1 46 46 GLN HE22 H 1 7.355 0.04 . 2 . . . . . 46 GLN HE22 . 27481 1 493 . 1 . 1 46 46 GLN C C 13 177.577 0.4 . 1 . . . . . 46 GLN C . 27481 1 494 . 1 . 1 46 46 GLN CA C 13 58.287 0.40 . 1 . . . . . 46 GLN CA . 27481 1 495 . 1 . 1 46 46 GLN CB C 13 27.974 0.40 . 1 . . . . . 46 GLN CB . 27481 1 496 . 1 . 1 46 46 GLN N N 15 118.660 0.2 . 1 . . . . . 46 GLN N . 27481 1 497 . 1 . 1 46 46 GLN NE2 N 15 111.602 0.2 . 1 . . . . . 46 GLN NE2 . 27481 1 498 . 1 . 1 47 47 ALA H H 1 7.899 0.04 . 1 . . . . . 47 ALA H . 27481 1 499 . 1 . 1 47 47 ALA HA H 1 3.816 0.04 . 1 . . . . . 47 ALA HA . 27481 1 500 . 1 . 1 47 47 ALA HB1 H 1 1.387 0.04 . 1 . . . . . 47 ALA HB* . 27481 1 501 . 1 . 1 47 47 ALA HB2 H 1 1.387 0.04 . 1 . . . . . 47 ALA HB* . 27481 1 502 . 1 . 1 47 47 ALA HB3 H 1 1.387 0.04 . 1 . . . . . 47 ALA HB* . 27481 1 503 . 1 . 1 47 47 ALA C C 13 178.961 0.4 . 1 . . . . . 47 ALA C . 27481 1 504 . 1 . 1 47 47 ALA CA C 13 55.286 0.40 . 1 . . . . . 47 ALA CA . 27481 1 505 . 1 . 1 47 47 ALA CB C 13 17.637 0.40 . 1 . . . . . 47 ALA CB . 27481 1 506 . 1 . 1 47 47 ALA N N 15 123.499 0.2 . 1 . . . . . 47 ALA N . 27481 1 507 . 1 . 1 48 48 VAL H H 1 8.390 0.04 . 1 . . . . . 48 VAL H . 27481 1 508 . 1 . 1 48 48 VAL HA H 1 3.443 0.04 . 1 . . . . . 48 VAL HA . 27481 1 509 . 1 . 1 48 48 VAL HB H 1 2.073 0.04 . 1 . . . . . 48 VAL HB . 27481 1 510 . 1 . 1 48 48 VAL HG11 H 1 0.906 0.04 . 2 . . . . . 48 VAL HG1* . 27481 1 511 . 1 . 1 48 48 VAL HG12 H 1 0.906 0.04 . 2 . . . . . 48 VAL HG1* . 27481 1 512 . 1 . 1 48 48 VAL HG13 H 1 0.906 0.04 . 2 . . . . . 48 VAL HG1* . 27481 1 513 . 1 . 1 48 48 VAL HG21 H 1 1.030 0.04 . 2 . . . . . 48 VAL HG2* . 27481 1 514 . 1 . 1 48 48 VAL HG22 H 1 1.030 0.04 . 2 . . . . . 48 VAL HG2* . 27481 1 515 . 1 . 1 48 48 VAL HG23 H 1 1.030 0.04 . 2 . . . . . 48 VAL HG2* . 27481 1 516 . 1 . 1 48 48 VAL C C 13 177.089 0.4 . 1 . . . . . 48 VAL C . 27481 1 517 . 1 . 1 48 48 VAL CA C 13 66.820 0.40 . 1 . . . . . 48 VAL CA . 27481 1 518 . 1 . 1 48 48 VAL CB C 13 31.612 0.40 . 1 . . . . . 48 VAL CB . 27481 1 519 . 1 . 1 48 48 VAL CG1 C 13 21.258 0.40 . 2 . . . . . 48 VAL CG1 . 27481 1 520 . 1 . 1 48 48 VAL CG2 C 13 23.883 0.40 . 2 . . . . . 48 VAL CG2 . 27481 1 521 . 1 . 1 48 48 VAL N N 15 115.836 0.2 . 1 . . . . . 48 VAL N . 27481 1 522 . 1 . 1 49 49 LYS H H 1 7.214 0.04 . 1 . . . . . 49 LYS H . 27481 1 523 . 1 . 1 49 49 LYS HA H 1 3.894 0.04 . 1 . . . . . 49 LYS HA . 27481 1 524 . 1 . 1 49 49 LYS HB2 H 1 1.891 0.04 . 1 . . . . . 49 LYS HB2 . 27481 1 525 . 1 . 1 49 49 LYS HB3 H 1 1.891 0.04 . 1 . . . . . 49 LYS HB3 . 27481 1 526 . 1 . 1 49 49 LYS C C 13 179.282 0.4 . 1 . . . . . 49 LYS C . 27481 1 527 . 1 . 1 49 49 LYS CA C 13 60.067 0.40 . 1 . . . . . 49 LYS CA . 27481 1 528 . 1 . 1 49 49 LYS CB C 13 32.430 0.40 . 1 . . . . . 49 LYS CB . 27481 1 529 . 1 . 1 49 49 LYS N N 15 118.798 0.2 . 1 . . . . . 49 LYS N . 27481 1 530 . 1 . 1 50 50 VAL H H 1 7.420 0.04 . 1 . . . . . 50 VAL H . 27481 1 531 . 1 . 1 50 50 VAL HA H 1 3.674 0.04 . 1 . . . . . 50 VAL HA . 27481 1 532 . 1 . 1 50 50 VAL HB H 1 2.019 0.04 . 1 . . . . . 50 VAL HB . 27481 1 533 . 1 . 1 50 50 VAL HG11 H 1 0.762 0.04 . 2 . . . . . 50 VAL HG1* . 27481 1 534 . 1 . 1 50 50 VAL HG12 H 1 0.762 0.04 . 2 . . . . . 50 VAL HG1* . 27481 1 535 . 1 . 1 50 50 VAL HG13 H 1 0.762 0.04 . 2 . . . . . 50 VAL HG1* . 27481 1 536 . 1 . 1 50 50 VAL HG21 H 1 0.958 0.04 . 2 . . . . . 50 VAL HG2* . 27481 1 537 . 1 . 1 50 50 VAL HG22 H 1 0.958 0.04 . 2 . . . . . 50 VAL HG2* . 27481 1 538 . 1 . 1 50 50 VAL HG23 H 1 0.958 0.04 . 2 . . . . . 50 VAL HG2* . 27481 1 539 . 1 . 1 50 50 VAL C C 13 179.493 0.4 . 1 . . . . . 50 VAL C . 27481 1 540 . 1 . 1 50 50 VAL CA C 13 65.867 0.40 . 1 . . . . . 50 VAL CA . 27481 1 541 . 1 . 1 50 50 VAL CB C 13 31.370 0.40 . 1 . . . . . 50 VAL CB . 27481 1 542 . 1 . 1 50 50 VAL CG1 C 13 21.119 0.40 . 2 . . . . . 50 VAL CG1 . 27481 1 543 . 1 . 1 50 50 VAL CG2 C 13 22.129 0.40 . 2 . . . . . 50 VAL CG2 . 27481 1 544 . 1 . 1 50 50 VAL N N 15 119.084 0.2 . 1 . . . . . 50 VAL N . 27481 1 545 . 1 . 1 51 51 TYR H H 1 8.458 0.04 . 1 . . . . . 51 TYR H . 27481 1 546 . 1 . 1 51 51 TYR HA H 1 4.248 0.04 . 1 . . . . . 51 TYR HA . 27481 1 547 . 1 . 1 51 51 TYR HB2 H 1 2.879 0.04 . 2 . . . . . 51 TYR HB2 . 27481 1 548 . 1 . 1 51 51 TYR HB3 H 1 3.059 0.04 . 2 . . . . . 51 TYR HB3 . 27481 1 549 . 1 . 1 51 51 TYR HD1 H 1 6.791 0.04 . 3 . . . . . 51 TYR HD* . 27481 1 550 . 1 . 1 51 51 TYR HD2 H 1 6.791 0.04 . 3 . . . . . 51 TYR HD* . 27481 1 551 . 1 . 1 51 51 TYR C C 13 178.020 0.4 . 1 . . . . . 51 TYR C . 27481 1 552 . 1 . 1 51 51 TYR CA C 13 60.250 0.40 . 1 . . . . . 51 TYR CA . 27481 1 553 . 1 . 1 51 51 TYR CB C 13 37.183 0.40 . 1 . . . . . 51 TYR CB . 27481 1 554 . 1 . 1 51 51 TYR CD1 C 13 131.386 0.4 . 3 . . . . . 51 TYR CD* . 27481 1 555 . 1 . 1 51 51 TYR CD2 C 13 131.386 0.4 . 3 . . . . . 51 TYR CD* . 27481 1 556 . 1 . 1 51 51 TYR N N 15 121.026 0.2 . 1 . . . . . 51 TYR N . 27481 1 557 . 1 . 1 52 52 LYS H H 1 8.864 0.04 . 1 . . . . . 52 LYS H . 27481 1 558 . 1 . 1 52 52 LYS HA H 1 3.925 0.04 . 1 . . . . . 52 LYS HA . 27481 1 559 . 1 . 1 52 52 LYS HB2 H 1 1.874 0.04 . 1 . . . . . 52 LYS HB2 . 27481 1 560 . 1 . 1 52 52 LYS HB3 H 1 1.874 0.04 . 1 . . . . . 52 LYS HB3 . 27481 1 561 . 1 . 1 52 52 LYS C C 13 179.608 0.4 . 1 . . . . . 52 LYS C . 27481 1 562 . 1 . 1 52 52 LYS CA C 13 60.193 0.40 . 1 . . . . . 52 LYS CA . 27481 1 563 . 1 . 1 52 52 LYS CB C 13 32.407 0.40 . 1 . . . . . 52 LYS CB . 27481 1 564 . 1 . 1 52 52 LYS N N 15 119.296 0.2 . 1 . . . . . 52 LYS N . 27481 1 565 . 1 . 1 53 53 GLU H H 1 7.671 0.04 . 1 . . . . . 53 GLU H . 27481 1 566 . 1 . 1 53 53 GLU HA H 1 4.027 0.04 . 1 . . . . . 53 GLU HA . 27481 1 567 . 1 . 1 53 53 GLU HB2 H 1 1.978 0.04 . 2 . . . . . 53 GLU HB2 . 27481 1 568 . 1 . 1 53 53 GLU HB3 H 1 2.113 0.04 . 2 . . . . . 53 GLU HB3 . 27481 1 569 . 1 . 1 53 53 GLU C C 13 178.827 0.4 . 1 . . . . . 53 GLU C . 27481 1 570 . 1 . 1 53 53 GLU CA C 13 59.260 0.40 . 1 . . . . . 53 GLU CA . 27481 1 571 . 1 . 1 53 53 GLU CB C 13 29.172 0.40 . 1 . . . . . 53 GLU CB . 27481 1 572 . 1 . 1 53 53 GLU N N 15 119.525 0.2 . 1 . . . . . 53 GLU N . 27481 1 573 . 1 . 1 54 54 ALA H H 1 8.040 0.04 . 1 . . . . . 54 ALA H . 27481 1 574 . 1 . 1 54 54 ALA HA H 1 4.051 0.04 . 1 . . . . . 54 ALA HA . 27481 1 575 . 1 . 1 54 54 ALA HB1 H 1 1.511 0.04 . 1 . . . . . 54 ALA HB* . 27481 1 576 . 1 . 1 54 54 ALA HB2 H 1 1.511 0.04 . 1 . . . . . 54 ALA HB* . 27481 1 577 . 1 . 1 54 54 ALA HB3 H 1 1.511 0.04 . 1 . . . . . 54 ALA HB* . 27481 1 578 . 1 . 1 54 54 ALA C C 13 180.342 0.4 . 1 . . . . . 54 ALA C . 27481 1 579 . 1 . 1 54 54 ALA CA C 13 54.798 0.40 . 1 . . . . . 54 ALA CA . 27481 1 580 . 1 . 1 54 54 ALA CB C 13 18.318 0.40 . 1 . . . . . 54 ALA CB . 27481 1 581 . 1 . 1 54 54 ALA N N 15 121.377 0.2 . 1 . . . . . 54 ALA N . 27481 1 582 . 1 . 1 55 55 ALA H H 1 8.443 0.04 . 1 . . . . . 55 ALA H . 27481 1 583 . 1 . 1 55 55 ALA HA H 1 3.823 0.04 . 1 . . . . . 55 ALA HA . 27481 1 584 . 1 . 1 55 55 ALA HB1 H 1 1.449 0.04 . 1 . . . . . 55 ALA HB* . 27481 1 585 . 1 . 1 55 55 ALA HB2 H 1 1.449 0.04 . 1 . . . . . 55 ALA HB* . 27481 1 586 . 1 . 1 55 55 ALA HB3 H 1 1.449 0.04 . 1 . . . . . 55 ALA HB* . 27481 1 587 . 1 . 1 55 55 ALA C C 13 179.269 0.4 . 1 . . . . . 55 ALA C . 27481 1 588 . 1 . 1 55 55 ALA CA C 13 55.373 0.40 . 1 . . . . . 55 ALA CA . 27481 1 589 . 1 . 1 55 55 ALA CB C 13 17.657 0.40 . 1 . . . . . 55 ALA CB . 27481 1 590 . 1 . 1 55 55 ALA N N 15 120.872 0.2 . 1 . . . . . 55 ALA N . 27481 1 591 . 1 . 1 56 56 GLU H H 1 7.506 0.04 . 1 . . . . . 56 GLU H . 27481 1 592 . 1 . 1 56 56 GLU HA H 1 3.972 0.04 . 1 . . . . . 56 GLU HA . 27481 1 593 . 1 . 1 56 56 GLU HB2 H 1 2.085 0.04 . 1 . . . . . 56 GLU HB2 . 27481 1 594 . 1 . 1 56 56 GLU HB3 H 1 2.085 0.04 . 1 . . . . . 56 GLU HB3 . 27481 1 595 . 1 . 1 56 56 GLU C C 13 178.195 0.4 . 1 . . . . . 56 GLU C . 27481 1 596 . 1 . 1 56 56 GLU CA C 13 58.318 0.40 . 1 . . . . . 56 GLU CA . 27481 1 597 . 1 . 1 56 56 GLU CB C 13 29.652 0.40 . 1 . . . . . 56 GLU CB . 27481 1 598 . 1 . 1 56 56 GLU N N 15 115.090 0.2 . 1 . . . . . 56 GLU N . 27481 1 599 . 1 . 1 57 57 LYS H H 1 7.355 0.04 . 1 . . . . . 57 LYS H . 27481 1 600 . 1 . 1 57 57 LYS HA H 1 4.207 0.04 . 1 . . . . . 57 LYS HA . 27481 1 601 . 1 . 1 57 57 LYS HB2 H 1 1.739 0.04 . 2 . . . . . 57 LYS HB2 . 27481 1 602 . 1 . 1 57 57 LYS HB3 H 1 1.910 0.04 . 2 . . . . . 57 LYS HB3 . 27481 1 603 . 1 . 1 57 57 LYS C C 13 176.528 0.4 . 1 . . . . . 57 LYS C . 27481 1 604 . 1 . 1 57 57 LYS CA C 13 56.243 0.40 . 1 . . . . . 57 LYS CA . 27481 1 605 . 1 . 1 57 57 LYS CB C 13 33.481 0.40 . 1 . . . . . 57 LYS CB . 27481 1 606 . 1 . 1 57 57 LYS N N 15 115.876 0.2 . 1 . . . . . 57 LYS N . 27481 1 607 . 1 . 1 58 58 ALA H H 1 7.367 0.04 . 1 . . . . . 58 ALA H . 27481 1 608 . 1 . 1 58 58 ALA HA H 1 4.217 0.04 . 1 . . . . . 58 ALA HA . 27481 1 609 . 1 . 1 58 58 ALA HB1 H 1 1.280 0.04 . 1 . . . . . 58 ALA HB* . 27481 1 610 . 1 . 1 58 58 ALA HB2 H 1 1.280 0.04 . 1 . . . . . 58 ALA HB* . 27481 1 611 . 1 . 1 58 58 ALA HB3 H 1 1.280 0.04 . 1 . . . . . 58 ALA HB* . 27481 1 612 . 1 . 1 58 58 ALA C C 13 177.532 0.4 . 1 . . . . . 58 ALA C . 27481 1 613 . 1 . 1 58 58 ALA CA C 13 52.893 0.40 . 1 . . . . . 58 ALA CA . 27481 1 614 . 1 . 1 58 58 ALA CB C 13 18.103 0.40 . 1 . . . . . 58 ALA CB . 27481 1 615 . 1 . 1 58 58 ALA N N 15 123.223 0.2 . 1 . . . . . 58 ALA N . 27481 1 616 . 1 . 1 61 61 PRO HA H 1 4.185 0.04 . 1 . . . . . 61 PRO HA . 27481 1 617 . 1 . 1 61 61 PRO HB2 H 1 1.949 0.04 . 2 . . . . . 61 PRO HB2 . 27481 1 618 . 1 . 1 61 61 PRO HB3 H 1 2.333 0.04 . 2 . . . . . 61 PRO HB3 . 27481 1 619 . 1 . 1 61 61 PRO C C 13 178.649 0.4 . 1 . . . . . 61 PRO C . 27481 1 620 . 1 . 1 61 61 PRO CA C 13 65.197 0.40 . 1 . . . . . 61 PRO CA . 27481 1 621 . 1 . 1 61 61 PRO CB C 13 32.188 0.40 . 1 . . . . . 61 PRO CB . 27481 1 622 . 1 . 1 62 62 GLU H H 1 8.278 0.04 . 1 . . . . . 62 GLU H . 27481 1 623 . 1 . 1 62 62 GLU HA H 1 4.060 0.04 . 1 . . . . . 62 GLU HA . 27481 1 624 . 1 . 1 62 62 GLU HB2 H 1 1.982 0.04 . 2 . . . . . 62 GLU HB2 . 27481 1 625 . 1 . 1 62 62 GLU HB3 H 1 2.067 0.04 . 2 . . . . . 62 GLU HB3 . 27481 1 626 . 1 . 1 62 62 GLU C C 13 179.298 0.4 . 1 . . . . . 62 GLU C . 27481 1 627 . 1 . 1 62 62 GLU CA C 13 59.651 0.40 . 1 . . . . . 62 GLU CA . 27481 1 628 . 1 . 1 62 62 GLU CB C 13 29.010 0.40 . 1 . . . . . 62 GLU CB . 27481 1 629 . 1 . 1 62 62 GLU N N 15 118.225 0.2 . 1 . . . . . 62 GLU N . 27481 1 630 . 1 . 1 63 63 LYS H H 1 7.718 0.04 . 1 . . . . . 63 LYS H . 27481 1 631 . 1 . 1 63 63 LYS HA H 1 4.065 0.04 . 1 . . . . . 63 LYS HA . 27481 1 632 . 1 . 1 63 63 LYS HB2 H 1 1.760 0.04 . 1 . . . . . 63 LYS HB2 . 27481 1 633 . 1 . 1 63 63 LYS HB3 H 1 1.760 0.04 . 1 . . . . . 63 LYS HB3 . 27481 1 634 . 1 . 1 63 63 LYS C C 13 178.353 0.4 . 1 . . . . . 63 LYS C . 27481 1 635 . 1 . 1 63 63 LYS CA C 13 58.181 0.40 . 1 . . . . . 63 LYS CA . 27481 1 636 . 1 . 1 63 63 LYS CB C 13 32.166 0.40 . 1 . . . . . 63 LYS CB . 27481 1 637 . 1 . 1 63 63 LYS N N 15 118.683 0.2 . 1 . . . . . 63 LYS N . 27481 1 638 . 1 . 1 64 64 ARG H H 1 8.057 0.04 . 1 . . . . . 64 ARG H . 27481 1 639 . 1 . 1 64 64 ARG HA H 1 3.715 0.04 . 1 . . . . . 64 ARG HA . 27481 1 640 . 1 . 1 64 64 ARG HB2 H 1 1.799 0.04 . 2 . . . . . 64 ARG HB2 . 27481 1 641 . 1 . 1 64 64 ARG HB3 H 1 1.887 0.04 . 2 . . . . . 64 ARG HB3 . 27481 1 642 . 1 . 1 64 64 ARG C C 13 177.291 0.4 . 1 . . . . . 64 ARG C . 27481 1 643 . 1 . 1 64 64 ARG CA C 13 59.275 0.40 . 1 . . . . . 64 ARG CA . 27481 1 644 . 1 . 1 64 64 ARG CB C 13 29.454 0.40 . 1 . . . . . 64 ARG CB . 27481 1 645 . 1 . 1 64 64 ARG N N 15 118.827 0.2 . 1 . . . . . 64 ARG N . 27481 1 646 . 1 . 1 65 65 GLN H H 1 7.856 0.04 . 1 . . . . . 65 GLN H . 27481 1 647 . 1 . 1 65 65 GLN HA H 1 4.088 0.04 . 1 . . . . . 65 GLN HA . 27481 1 648 . 1 . 1 65 65 GLN HB2 H 1 2.100 0.04 . 1 . . . . . 65 GLN HB2 . 27481 1 649 . 1 . 1 65 65 GLN HB3 H 1 2.100 0.04 . 1 . . . . . 65 GLN HB3 . 27481 1 650 . 1 . 1 65 65 GLN C C 13 178.443 0.4 . 1 . . . . . 65 GLN C . 27481 1 651 . 1 . 1 65 65 GLN CA C 13 59.139 0.40 . 1 . . . . . 65 GLN CA . 27481 1 652 . 1 . 1 65 65 GLN CB C 13 28.392 0.40 . 1 . . . . . 65 GLN CB . 27481 1 653 . 1 . 1 65 65 GLN N N 15 116.482 0.2 . 1 . . . . . 65 GLN N . 27481 1 654 . 1 . 1 66 66 VAL H H 1 7.195 0.04 . 1 . . . . . 66 VAL H . 27481 1 655 . 1 . 1 66 66 VAL HA H 1 3.584 0.04 . 1 . . . . . 66 VAL HA . 27481 1 656 . 1 . 1 66 66 VAL HB H 1 2.174 0.04 . 1 . . . . . 66 VAL HB . 27481 1 657 . 1 . 1 66 66 VAL HG11 H 1 0.808 0.04 . 2 . . . . . 66 VAL HG1* . 27481 1 658 . 1 . 1 66 66 VAL HG12 H 1 0.808 0.04 . 2 . . . . . 66 VAL HG1* . 27481 1 659 . 1 . 1 66 66 VAL HG13 H 1 0.808 0.04 . 2 . . . . . 66 VAL HG1* . 27481 1 660 . 1 . 1 66 66 VAL HG21 H 1 1.049 0.04 . 2 . . . . . 66 VAL HG2* . 27481 1 661 . 1 . 1 66 66 VAL HG22 H 1 1.049 0.04 . 2 . . . . . 66 VAL HG2* . 27481 1 662 . 1 . 1 66 66 VAL HG23 H 1 1.049 0.04 . 2 . . . . . 66 VAL HG2* . 27481 1 663 . 1 . 1 66 66 VAL C C 13 177.911 0.4 . 1 . . . . . 66 VAL C . 27481 1 664 . 1 . 1 66 66 VAL CA C 13 65.958 0.40 . 1 . . . . . 66 VAL CA . 27481 1 665 . 1 . 1 66 66 VAL CB C 13 31.900 0.40 . 1 . . . . . 66 VAL CB . 27481 1 666 . 1 . 1 66 66 VAL CG1 C 13 21.080 0.40 . 2 . . . . . 66 VAL CG1 . 27481 1 667 . 1 . 1 66 66 VAL CG2 C 13 22.670 0.40 . 2 . . . . . 66 VAL CG2 . 27481 1 668 . 1 . 1 66 66 VAL N N 15 118.868 0.2 . 1 . . . . . 66 VAL N . 27481 1 669 . 1 . 1 67 67 ILE H H 1 7.554 0.04 . 1 . . . . . 67 ILE H . 27481 1 670 . 1 . 1 67 67 ILE HA H 1 3.315 0.04 . 1 . . . . . 67 ILE HA . 27481 1 671 . 1 . 1 67 67 ILE HB H 1 1.735 0.04 . 1 . . . . . 67 ILE HB . 27481 1 672 . 1 . 1 67 67 ILE HG12 H 1 0.745 0.04 . 2 . . . . . 67 ILE HG12 . 27481 1 673 . 1 . 1 67 67 ILE HG13 H 1 1.752 0.04 . 2 . . . . . 67 ILE HG13 . 27481 1 674 . 1 . 1 67 67 ILE HG21 H 1 0.899 0.04 . 1 . . . . . 67 ILE HG2* . 27481 1 675 . 1 . 1 67 67 ILE HG22 H 1 0.899 0.04 . 1 . . . . . 67 ILE HG2* . 27481 1 676 . 1 . 1 67 67 ILE HG23 H 1 0.899 0.04 . 1 . . . . . 67 ILE HG2* . 27481 1 677 . 1 . 1 67 67 ILE HD11 H 1 0.661 0.04 . 1 . . . . . 67 ILE HD1* . 27481 1 678 . 1 . 1 67 67 ILE HD12 H 1 0.661 0.04 . 1 . . . . . 67 ILE HD1* . 27481 1 679 . 1 . 1 67 67 ILE HD13 H 1 0.661 0.04 . 1 . . . . . 67 ILE HD1* . 27481 1 680 . 1 . 1 67 67 ILE C C 13 177.205 0.4 . 1 . . . . . 67 ILE C . 27481 1 681 . 1 . 1 67 67 ILE CA C 13 65.415 0.40 . 1 . . . . . 67 ILE CA . 27481 1 682 . 1 . 1 67 67 ILE CB C 13 37.984 0.40 . 1 . . . . . 67 ILE CB . 27481 1 683 . 1 . 1 67 67 ILE CG1 C 13 29.133 0.40 . 1 . . . . . 67 ILE CG1 . 27481 1 684 . 1 . 1 67 67 ILE CG2 C 13 18.919 0.40 . 1 . . . . . 67 ILE CG2 . 27481 1 685 . 1 . 1 67 67 ILE CD1 C 13 13.864 0.40 . 1 . . . . . 67 ILE CD1 . 27481 1 686 . 1 . 1 67 67 ILE N N 15 119.738 0.2 . 1 . . . . . 67 ILE N . 27481 1 687 . 1 . 1 68 68 ASP H H 1 8.684 0.04 . 1 . . . . . 68 ASP H . 27481 1 688 . 1 . 1 68 68 ASP HA H 1 4.285 0.04 . 1 . . . . . 68 ASP HA . 27481 1 689 . 1 . 1 68 68 ASP HB2 H 1 2.512 0.04 . 2 . . . . . 68 ASP HB2 . 27481 1 690 . 1 . 1 68 68 ASP HB3 H 1 2.661 0.04 . 2 . . . . . 68 ASP HB3 . 27481 1 691 . 1 . 1 68 68 ASP C C 13 179.403 0.4 . 1 . . . . . 68 ASP C . 27481 1 692 . 1 . 1 68 68 ASP CA C 13 57.676 0.40 . 1 . . . . . 68 ASP CA . 27481 1 693 . 1 . 1 68 68 ASP CB C 13 39.891 0.40 . 1 . . . . . 68 ASP CB . 27481 1 694 . 1 . 1 68 68 ASP N N 15 120.300 0.2 . 1 . . . . . 68 ASP N . 27481 1 695 . 1 . 1 69 69 LYS H H 1 7.507 0.04 . 1 . . . . . 69 LYS H . 27481 1 696 . 1 . 1 69 69 LYS HA H 1 4.001 0.04 . 1 . . . . . 69 LYS HA . 27481 1 697 . 1 . 1 69 69 LYS HB2 H 1 1.856 0.04 . 1 . . . . . 69 LYS HB2 . 27481 1 698 . 1 . 1 69 69 LYS HB3 H 1 1.856 0.04 . 1 . . . . . 69 LYS HB3 . 27481 1 699 . 1 . 1 69 69 LYS C C 13 178.788 0.4 . 1 . . . . . 69 LYS C . 27481 1 700 . 1 . 1 69 69 LYS CA C 13 58.659 0.40 . 1 . . . . . 69 LYS CA . 27481 1 701 . 1 . 1 69 69 LYS CB C 13 31.601 0.40 . 1 . . . . . 69 LYS CB . 27481 1 702 . 1 . 1 69 69 LYS N N 15 120.117 0.2 . 1 . . . . . 69 LYS N . 27481 1 703 . 1 . 1 70 70 ILE H H 1 7.541 0.04 . 1 . . . . . 70 ILE H . 27481 1 704 . 1 . 1 70 70 ILE HA H 1 2.739 0.04 . 1 . . . . . 70 ILE HA . 27481 1 705 . 1 . 1 70 70 ILE HB H 1 1.562 0.04 . 1 . . . . . 70 ILE HB . 27481 1 706 . 1 . 1 70 70 ILE HG12 H 1 -0.296 0.04 . 2 . . . . . 70 ILE HG12 . 27481 1 707 . 1 . 1 70 70 ILE HG13 H 1 1.487 0.04 . 2 . . . . . 70 ILE HG13 . 27481 1 708 . 1 . 1 70 70 ILE HG21 H 1 -0.081 0.04 . 1 . . . . . 70 ILE HG2* . 27481 1 709 . 1 . 1 70 70 ILE HG22 H 1 -0.081 0.04 . 1 . . . . . 70 ILE HG2* . 27481 1 710 . 1 . 1 70 70 ILE HG23 H 1 -0.081 0.04 . 1 . . . . . 70 ILE HG2* . 27481 1 711 . 1 . 1 70 70 ILE HD11 H 1 0.515 0.04 . 1 . . . . . 70 ILE HD1* . 27481 1 712 . 1 . 1 70 70 ILE HD12 H 1 0.515 0.04 . 1 . . . . . 70 ILE HD1* . 27481 1 713 . 1 . 1 70 70 ILE HD13 H 1 0.515 0.04 . 1 . . . . . 70 ILE HD1* . 27481 1 714 . 1 . 1 70 70 ILE C C 13 178.064 0.4 . 1 . . . . . 70 ILE C . 27481 1 715 . 1 . 1 70 70 ILE CA C 13 66.198 0.40 . 1 . . . . . 70 ILE CA . 27481 1 716 . 1 . 1 70 70 ILE CB C 13 37.153 0.40 . 1 . . . . . 70 ILE CB . 27481 1 717 . 1 . 1 70 70 ILE CG1 C 13 29.118 0.40 . 1 . . . . . 70 ILE CG1 . 27481 1 718 . 1 . 1 70 70 ILE CG2 C 13 15.889 0.40 . 1 . . . . . 70 ILE CG2 . 27481 1 719 . 1 . 1 70 70 ILE CD1 C 13 14.251 0.40 . 1 . . . . . 70 ILE CD1 . 27481 1 720 . 1 . 1 70 70 ILE N N 15 121.512 0.2 . 1 . . . . . 70 ILE N . 27481 1 721 . 1 . 1 71 71 LEU H H 1 8.371 0.04 . 1 . . . . . 71 LEU H . 27481 1 722 . 1 . 1 71 71 LEU HA H 1 3.719 0.04 . 1 . . . . . 71 LEU HA . 27481 1 723 . 1 . 1 71 71 LEU HB2 H 1 1.784 0.04 . 1 . . . . . 71 LEU HB2 . 27481 1 724 . 1 . 1 71 71 LEU HB3 H 1 1.784 0.04 . 1 . . . . . 71 LEU HB3 . 27481 1 725 . 1 . 1 71 71 LEU HG H 1 1.574 0.04 . 1 . . . . . 71 LEU HG . 27481 1 726 . 1 . 1 71 71 LEU HD11 H 1 0.883 0.04 . 2 . . . . . 71 LEU HD1* . 27481 1 727 . 1 . 1 71 71 LEU HD12 H 1 0.883 0.04 . 2 . . . . . 71 LEU HD1* . 27481 1 728 . 1 . 1 71 71 LEU HD13 H 1 0.883 0.04 . 2 . . . . . 71 LEU HD1* . 27481 1 729 . 1 . 1 71 71 LEU HD21 H 1 0.941 0.04 . 2 . . . . . 71 LEU HD2* . 27481 1 730 . 1 . 1 71 71 LEU HD22 H 1 0.941 0.04 . 2 . . . . . 71 LEU HD2* . 27481 1 731 . 1 . 1 71 71 LEU HD23 H 1 0.941 0.04 . 2 . . . . . 71 LEU HD2* . 27481 1 732 . 1 . 1 71 71 LEU C C 13 178.799 0.4 . 1 . . . . . 71 LEU C . 27481 1 733 . 1 . 1 71 71 LEU CA C 13 58.555 0.40 . 1 . . . . . 71 LEU CA . 27481 1 734 . 1 . 1 71 71 LEU CB C 13 41.637 0.40 . 1 . . . . . 71 LEU CB . 27481 1 735 . 1 . 1 71 71 LEU CG C 13 27.384 0.40 . 1 . . . . . 71 LEU CG . 27481 1 736 . 1 . 1 71 71 LEU CD1 C 13 25.577 0.40 . 2 . . . . . 71 LEU CD1 . 27481 1 737 . 1 . 1 71 71 LEU CD2 C 13 25.566 0.40 . 2 . . . . . 71 LEU CD2 . 27481 1 738 . 1 . 1 71 71 LEU N N 15 119.934 0.2 . 1 . . . . . 71 LEU N . 27481 1 739 . 1 . 1 72 72 GLU H H 1 7.806 0.04 . 1 . . . . . 72 GLU H . 27481 1 740 . 1 . 1 72 72 GLU HA H 1 3.901 0.04 . 1 . . . . . 72 GLU HA . 27481 1 741 . 1 . 1 72 72 GLU HB2 H 1 2.019 0.04 . 1 . . . . . 72 GLU HB2 . 27481 1 742 . 1 . 1 72 72 GLU HB3 H 1 2.019 0.04 . 1 . . . . . 72 GLU HB3 . 27481 1 743 . 1 . 1 72 72 GLU C C 13 179.601 0.4 . 1 . . . . . 72 GLU C . 27481 1 744 . 1 . 1 72 72 GLU CA C 13 59.430 0.40 . 1 . . . . . 72 GLU CA . 27481 1 745 . 1 . 1 72 72 GLU CB C 13 29.547 0.40 . 1 . . . . . 72 GLU CB . 27481 1 746 . 1 . 1 72 72 GLU N N 15 119.405 0.2 . 1 . . . . . 72 GLU N . 27481 1 747 . 1 . 1 73 73 ASP H H 1 7.760 0.04 . 1 . . . . . 73 ASP H . 27481 1 748 . 1 . 1 73 73 ASP HA H 1 4.079 0.04 . 1 . . . . . 73 ASP HA . 27481 1 749 . 1 . 1 73 73 ASP HB2 H 1 2.950 0.04 . 1 . . . . . 73 ASP HB2 . 27481 1 750 . 1 . 1 73 73 ASP HB3 H 1 2.950 0.04 . 1 . . . . . 73 ASP HB3 . 27481 1 751 . 1 . 1 73 73 ASP C C 13 177.640 0.4 . 1 . . . . . 73 ASP C . 27481 1 752 . 1 . 1 73 73 ASP CA C 13 56.738 0.40 . 1 . . . . . 73 ASP CA . 27481 1 753 . 1 . 1 73 73 ASP CB C 13 40.254 0.40 . 1 . . . . . 73 ASP CB . 27481 1 754 . 1 . 1 73 73 ASP N N 15 119.902 0.2 . 1 . . . . . 73 ASP N . 27481 1 755 . 1 . 1 74 74 GLU H H 1 8.309 0.04 . 1 . . . . . 74 GLU H . 27481 1 756 . 1 . 1 74 74 GLU HA H 1 3.625 0.04 . 1 . . . . . 74 GLU HA . 27481 1 757 . 1 . 1 74 74 GLU HB2 H 1 2.007 0.04 . 2 . . . . . 74 GLU HB2 . 27481 1 758 . 1 . 1 74 74 GLU HB3 H 1 2.143 0.04 . 2 . . . . . 74 GLU HB3 . 27481 1 759 . 1 . 1 74 74 GLU C C 13 178.450 0.4 . 1 . . . . . 74 GLU C . 27481 1 760 . 1 . 1 74 74 GLU CA C 13 58.332 0.40 . 1 . . . . . 74 GLU CA . 27481 1 761 . 1 . 1 74 74 GLU CB C 13 27.974 0.40 . 1 . . . . . 74 GLU CB . 27481 1 762 . 1 . 1 74 74 GLU N N 15 118.436 0.2 . 1 . . . . . 74 GLU N . 27481 1 763 . 1 . 1 75 75 GLU H H 1 7.944 0.04 . 1 . . . . . 75 GLU H . 27481 1 764 . 1 . 1 75 75 GLU HA H 1 3.887 0.04 . 1 . . . . . 75 GLU HA . 27481 1 765 . 1 . 1 75 75 GLU HB2 H 1 1.945 0.04 . 1 . . . . . 75 GLU HB2 . 27481 1 766 . 1 . 1 75 75 GLU HB3 H 1 1.945 0.04 . 1 . . . . . 75 GLU HB3 . 27481 1 767 . 1 . 1 75 75 GLU C C 13 179.717 0.4 . 1 . . . . . 75 GLU C . 27481 1 768 . 1 . 1 75 75 GLU CA C 13 59.637 0.40 . 1 . . . . . 75 GLU CA . 27481 1 769 . 1 . 1 75 75 GLU CB C 13 28.930 0.40 . 1 . . . . . 75 GLU CB . 27481 1 770 . 1 . 1 75 75 GLU N N 15 117.770 0.2 . 1 . . . . . 75 GLU N . 27481 1 771 . 1 . 1 76 76 LYS H H 1 7.345 0.04 . 1 . . . . . 76 LYS H . 27481 1 772 . 1 . 1 76 76 LYS HA H 1 3.692 0.04 . 1 . . . . . 76 LYS HA . 27481 1 773 . 1 . 1 76 76 LYS HB2 H 1 1.260 0.04 . 2 . . . . . 76 LYS HB2 . 27481 1 774 . 1 . 1 76 76 LYS HB3 H 1 1.519 0.04 . 2 . . . . . 76 LYS HB3 . 27481 1 775 . 1 . 1 76 76 LYS C C 13 177.277 0.4 . 1 . . . . . 76 LYS C . 27481 1 776 . 1 . 1 76 76 LYS CA C 13 59.005 0.40 . 1 . . . . . 76 LYS CA . 27481 1 777 . 1 . 1 76 76 LYS CB C 13 30.912 0.40 . 1 . . . . . 76 LYS CB . 27481 1 778 . 1 . 1 76 76 LYS N N 15 120.646 0.2 . 1 . . . . . 76 LYS N . 27481 1 779 . 1 . 1 77 77 HIS H H 1 7.794 0.04 . 1 . . . . . 77 HIS H . 27481 1 780 . 1 . 1 77 77 HIS HA H 1 3.751 0.04 . 1 . . . . . 77 HIS HA . 27481 1 781 . 1 . 1 77 77 HIS HB2 H 1 2.465 0.04 . 2 . . . . . 77 HIS HB2 . 27481 1 782 . 1 . 1 77 77 HIS HB3 H 1 2.819 0.04 . 2 . . . . . 77 HIS HB3 . 27481 1 783 . 1 . 1 77 77 HIS C C 13 177.098 0.4 . 1 . . . . . 77 HIS C . 27481 1 784 . 1 . 1 77 77 HIS CA C 13 56.733 0.40 . 1 . . . . . 77 HIS CA . 27481 1 785 . 1 . 1 77 77 HIS CB C 13 28.500 0.40 . 1 . . . . . 77 HIS CB . 27481 1 786 . 1 . 1 77 77 HIS N N 15 115.335 0.2 . 1 . . . . . 77 HIS N . 27481 1 787 . 1 . 1 78 78 ILE H H 1 7.810 0.04 . 1 . . . . . 78 ILE H . 27481 1 788 . 1 . 1 78 78 ILE HA H 1 3.663 0.04 . 1 . . . . . 78 ILE HA . 27481 1 789 . 1 . 1 78 78 ILE HB H 1 2.018 0.04 . 1 . . . . . 78 ILE HB . 27481 1 790 . 1 . 1 78 78 ILE HG12 H 1 1.111 0.04 . 2 . . . . . 78 ILE HG12 . 27481 1 791 . 1 . 1 78 78 ILE HG13 H 1 1.742 0.04 . 2 . . . . . 78 ILE HG13 . 27481 1 792 . 1 . 1 78 78 ILE HG21 H 1 0.903 0.04 . 1 . . . . . 78 ILE HG2* . 27481 1 793 . 1 . 1 78 78 ILE HG22 H 1 0.903 0.04 . 1 . . . . . 78 ILE HG2* . 27481 1 794 . 1 . 1 78 78 ILE HG23 H 1 0.903 0.04 . 1 . . . . . 78 ILE HG2* . 27481 1 795 . 1 . 1 78 78 ILE HD11 H 1 0.794 0.04 . 1 . . . . . 78 ILE HD1* . 27481 1 796 . 1 . 1 78 78 ILE HD12 H 1 0.794 0.04 . 1 . . . . . 78 ILE HD1* . 27481 1 797 . 1 . 1 78 78 ILE HD13 H 1 0.794 0.04 . 1 . . . . . 78 ILE HD1* . 27481 1 798 . 1 . 1 78 78 ILE C C 13 178.048 0.4 . 1 . . . . . 78 ILE C . 27481 1 799 . 1 . 1 78 78 ILE CA C 13 65.197 0.40 . 1 . . . . . 78 ILE CA . 27481 1 800 . 1 . 1 78 78 ILE CB C 13 37.257 0.40 . 1 . . . . . 78 ILE CB . 27481 1 801 . 1 . 1 78 78 ILE CG1 C 13 29.674 0.40 . 1 . . . . . 78 ILE CG1 . 27481 1 802 . 1 . 1 78 78 ILE CG2 C 13 17.534 0.40 . 1 . . . . . 78 ILE CG2 . 27481 1 803 . 1 . 1 78 78 ILE CD1 C 13 12.684 0.40 . 1 . . . . . 78 ILE CD1 . 27481 1 804 . 1 . 1 78 78 ILE N N 15 117.928 0.2 . 1 . . . . . 78 ILE N . 27481 1 805 . 1 . 1 79 79 GLU H H 1 7.505 0.04 . 1 . . . . . 79 GLU H . 27481 1 806 . 1 . 1 79 79 GLU HA H 1 4.039 0.04 . 1 . . . . . 79 GLU HA . 27481 1 807 . 1 . 1 79 79 GLU HB2 H 1 2.180 0.04 . 1 . . . . . 79 GLU HB2 . 27481 1 808 . 1 . 1 79 79 GLU HB3 H 1 2.180 0.04 . 1 . . . . . 79 GLU HB3 . 27481 1 809 . 1 . 1 79 79 GLU C C 13 180.644 0.4 . 1 . . . . . 79 GLU C . 27481 1 810 . 1 . 1 79 79 GLU CA C 13 59.705 0.40 . 1 . . . . . 79 GLU CA . 27481 1 811 . 1 . 1 79 79 GLU CB C 13 28.740 0.40 . 1 . . . . . 79 GLU CB . 27481 1 812 . 1 . 1 79 79 GLU N N 15 120.675 0.2 . 1 . . . . . 79 GLU N . 27481 1 813 . 1 . 1 80 80 TRP H H 1 8.825 0.04 . 1 . . . . . 80 TRP H . 27481 1 814 . 1 . 1 80 80 TRP HA H 1 4.703 0.04 . 1 . . . . . 80 TRP HA . 27481 1 815 . 1 . 1 80 80 TRP HB2 H 1 3.229 0.04 . 2 . . . . . 80 TRP HB2 . 27481 1 816 . 1 . 1 80 80 TRP HB3 H 1 3.680 0.04 . 2 . . . . . 80 TRP HB3 . 27481 1 817 . 1 . 1 80 80 TRP HD1 H 1 7.150 0.04 . 1 . . . . . 80 TRP HD1 . 27481 1 818 . 1 . 1 80 80 TRP HE1 H 1 10.198 0.04 . 1 . . . . . 80 TRP HE1 . 27481 1 819 . 1 . 1 80 80 TRP HE3 H 1 7.201 0.04 . 1 . . . . . 80 TRP HE3 . 27481 1 820 . 1 . 1 80 80 TRP HZ2 H 1 7.507 0.04 . 1 . . . . . 80 TRP HZ2 . 27481 1 821 . 1 . 1 80 80 TRP HZ3 H 1 6.683 0.04 . 1 . . . . . 80 TRP HZ3 . 27481 1 822 . 1 . 1 80 80 TRP HH2 H 1 7.306 0.04 . 1 . . . . . 80 TRP HH2 . 27481 1 823 . 1 . 1 80 80 TRP C C 13 180.166 0.4 . 1 . . . . . 80 TRP C . 27481 1 824 . 1 . 1 80 80 TRP CA C 13 57.763 0.40 . 1 . . . . . 80 TRP CA . 27481 1 825 . 1 . 1 80 80 TRP CB C 13 29.371 0.40 . 1 . . . . . 80 TRP CB . 27481 1 826 . 1 . 1 80 80 TRP CD1 C 13 125.185 0.4 . 1 . . . . . 80 TRP CD1 . 27481 1 827 . 1 . 1 80 80 TRP CE3 C 13 119.418 0.4 . 1 . . . . . 80 TRP CE3 . 27481 1 828 . 1 . 1 80 80 TRP CZ2 C 13 114.974 0.4 . 1 . . . . . 80 TRP CZ2 . 27481 1 829 . 1 . 1 80 80 TRP CZ3 C 13 121.475 0.4 . 1 . . . . . 80 TRP CZ3 . 27481 1 830 . 1 . 1 80 80 TRP CH2 C 13 124.564 0.4 . 1 . . . . . 80 TRP CH2 . 27481 1 831 . 1 . 1 80 80 TRP N N 15 121.103 0.2 . 1 . . . . . 80 TRP N . 27481 1 832 . 1 . 1 80 80 TRP NE1 N 15 128.627 0.2 . 1 . . . . . 80 TRP NE1 . 27481 1 833 . 1 . 1 81 81 LEU H H 1 8.556 0.04 . 1 . . . . . 81 LEU H . 27481 1 834 . 1 . 1 81 81 LEU HA H 1 4.040 0.04 . 1 . . . . . 81 LEU HA . 27481 1 835 . 1 . 1 81 81 LEU HB2 H 1 1.420 0.04 . 2 . . . . . 81 LEU HB2 . 27481 1 836 . 1 . 1 81 81 LEU HB3 H 1 2.064 0.04 . 2 . . . . . 81 LEU HB3 . 27481 1 837 . 1 . 1 81 81 LEU HG H 1 1.978 0.04 . 1 . . . . . 81 LEU HG . 27481 1 838 . 1 . 1 81 81 LEU HD11 H 1 0.919 0.04 . 2 . . . . . 81 LEU HD1* . 27481 1 839 . 1 . 1 81 81 LEU HD12 H 1 0.919 0.04 . 2 . . . . . 81 LEU HD1* . 27481 1 840 . 1 . 1 81 81 LEU HD13 H 1 0.919 0.04 . 2 . . . . . 81 LEU HD1* . 27481 1 841 . 1 . 1 81 81 LEU HD21 H 1 0.964 0.04 . 2 . . . . . 81 LEU HD2* . 27481 1 842 . 1 . 1 81 81 LEU HD22 H 1 0.964 0.04 . 2 . . . . . 81 LEU HD2* . 27481 1 843 . 1 . 1 81 81 LEU HD23 H 1 0.964 0.04 . 2 . . . . . 81 LEU HD2* . 27481 1 844 . 1 . 1 81 81 LEU C C 13 179.063 0.4 . 1 . . . . . 81 LEU C . 27481 1 845 . 1 . 1 81 81 LEU CA C 13 57.920 0.40 . 1 . . . . . 81 LEU CA . 27481 1 846 . 1 . 1 81 81 LEU CB C 13 42.070 0.40 . 1 . . . . . 81 LEU CB . 27481 1 847 . 1 . 1 81 81 LEU CG C 13 27.214 0.40 . 1 . . . . . 81 LEU CG . 27481 1 848 . 1 . 1 81 81 LEU CD1 C 13 26.219 0.40 . 2 . . . . . 81 LEU CD1 . 27481 1 849 . 1 . 1 81 81 LEU CD2 C 13 23.491 0.40 . 2 . . . . . 81 LEU CD2 . 27481 1 850 . 1 . 1 81 81 LEU N N 15 120.554 0.2 . 1 . . . . . 81 LEU N . 27481 1 851 . 1 . 1 82 82 LYS H H 1 8.411 0.04 . 1 . . . . . 82 LYS H . 27481 1 852 . 1 . 1 82 82 LYS C C 13 179.935 0.4 . 1 . . . . . 82 LYS C . 27481 1 853 . 1 . 1 82 82 LYS N N 15 120.819 0.2 . 1 . . . . . 82 LYS N . 27481 1 854 . 1 . 1 83 83 ALA HA H 1 4.199 0.04 . 1 . . . . . 83 ALA HA . 27481 1 855 . 1 . 1 83 83 ALA HB1 H 1 1.560 0.04 . 1 . . . . . 83 ALA HB* . 27481 1 856 . 1 . 1 83 83 ALA HB2 H 1 1.560 0.04 . 1 . . . . . 83 ALA HB* . 27481 1 857 . 1 . 1 83 83 ALA HB3 H 1 1.560 0.04 . 1 . . . . . 83 ALA HB* . 27481 1 858 . 1 . 1 83 83 ALA C C 13 180.157 0.4 . 1 . . . . . 83 ALA C . 27481 1 859 . 1 . 1 83 83 ALA CA C 13 54.786 0.40 . 1 . . . . . 83 ALA CA . 27481 1 860 . 1 . 1 83 83 ALA CB C 13 18.017 0.40 . 1 . . . . . 83 ALA CB . 27481 1 861 . 1 . 1 84 84 ALA H H 1 8.097 0.04 . 1 . . . . . 84 ALA H . 27481 1 862 . 1 . 1 84 84 ALA HA H 1 4.212 0.04 . 1 . . . . . 84 ALA HA . 27481 1 863 . 1 . 1 84 84 ALA HB1 H 1 1.483 0.04 . 1 . . . . . 84 ALA HB* . 27481 1 864 . 1 . 1 84 84 ALA HB2 H 1 1.483 0.04 . 1 . . . . . 84 ALA HB* . 27481 1 865 . 1 . 1 84 84 ALA HB3 H 1 1.483 0.04 . 1 . . . . . 84 ALA HB* . 27481 1 866 . 1 . 1 84 84 ALA C C 13 179.471 0.4 . 1 . . . . . 84 ALA C . 27481 1 867 . 1 . 1 84 84 ALA CA C 13 54.187 0.40 . 1 . . . . . 84 ALA CA . 27481 1 868 . 1 . 1 84 84 ALA CB C 13 18.194 0.40 . 1 . . . . . 84 ALA CB . 27481 1 869 . 1 . 1 84 84 ALA N N 15 121.183 0.2 . 1 . . . . . 84 ALA N . 27481 1 870 . 1 . 1 85 85 SER H H 1 8.030 0.04 . 1 . . . . . 85 SER H . 27481 1 871 . 1 . 1 85 85 SER HA H 1 4.050 0.04 . 1 . . . . . 85 SER HA . 27481 1 872 . 1 . 1 85 85 SER HB2 H 1 3.948 0.04 . 1 . . . . . 85 SER HB2 . 27481 1 873 . 1 . 1 85 85 SER HB3 H 1 3.948 0.04 . 1 . . . . . 85 SER HB3 . 27481 1 874 . 1 . 1 85 85 SER C C 13 175.260 0.4 . 1 . . . . . 85 SER C . 27481 1 875 . 1 . 1 85 85 SER CA C 13 60.796 0.40 . 1 . . . . . 85 SER CA . 27481 1 876 . 1 . 1 85 85 SER CB C 13 63.184 0.40 . 1 . . . . . 85 SER CB . 27481 1 877 . 1 . 1 85 85 SER N N 15 112.571 0.2 . 1 . . . . . 85 SER N . 27481 1 878 . 1 . 1 86 86 LYS H H 1 7.405 0.04 . 1 . . . . . 86 LYS H . 27481 1 879 . 1 . 1 86 86 LYS HA H 1 4.222 0.04 . 1 . . . . . 86 LYS HA . 27481 1 880 . 1 . 1 86 86 LYS HB2 H 1 1.861 0.04 . 1 . . . . . 86 LYS HB2 . 27481 1 881 . 1 . 1 86 86 LYS HB3 H 1 1.861 0.04 . 1 . . . . . 86 LYS HB3 . 27481 1 882 . 1 . 1 86 86 LYS C C 13 177.110 0.4 . 1 . . . . . 86 LYS C . 27481 1 883 . 1 . 1 86 86 LYS CA C 13 57.378 0.40 . 1 . . . . . 86 LYS CA . 27481 1 884 . 1 . 1 86 86 LYS CB C 13 32.812 0.40 . 1 . . . . . 86 LYS CB . 27481 1 885 . 1 . 1 86 86 LYS N N 15 120.105 0.2 . 1 . . . . . 86 LYS N . 27481 1 886 . 1 . 1 87 87 GLN H H 1 7.755 0.04 . 1 . . . . . 87 GLN H . 27481 1 887 . 1 . 1 87 87 GLN HA H 1 4.301 0.04 . 1 . . . . . 87 GLN HA . 27481 1 888 . 1 . 1 87 87 GLN HB2 H 1 2.058 0.04 . 1 . . . . . 87 GLN HB2 . 27481 1 889 . 1 . 1 87 87 GLN HB3 H 1 2.058 0.04 . 1 . . . . . 87 GLN HB3 . 27481 1 890 . 1 . 1 87 87 GLN HE21 H 1 6.769 0.04 . 2 . . . . . 87 GLN HE21 . 27481 1 891 . 1 . 1 87 87 GLN HE22 H 1 7.424 0.04 . 2 . . . . . 87 GLN HE22 . 27481 1 892 . 1 . 1 87 87 GLN C C 13 176.342 0.4 . 1 . . . . . 87 GLN C . 27481 1 893 . 1 . 1 87 87 GLN CA C 13 56.467 0.40 . 1 . . . . . 87 GLN CA . 27481 1 894 . 1 . 1 87 87 GLN CB C 13 29.699 0.40 . 1 . . . . . 87 GLN CB . 27481 1 895 . 1 . 1 87 87 GLN N N 15 117.202 0.2 . 1 . . . . . 87 GLN N . 27481 1 896 . 1 . 1 87 87 GLN NE2 N 15 111.494 0.2 . 1 . . . . . 87 GLN NE2 . 27481 1 897 . 1 . 1 88 88 GLY H H 1 8.091 0.04 . 1 . . . . . 88 GLY H . 27481 1 898 . 1 . 1 88 88 GLY HA2 H 1 3.862 0.04 . 1 . . . . . 88 GLY HA2 . 27481 1 899 . 1 . 1 88 88 GLY HA3 H 1 3.862 0.04 . 1 . . . . . 88 GLY HA3 . 27481 1 900 . 1 . 1 88 88 GLY C C 13 173.282 0.4 . 1 . . . . . 88 GLY C . 27481 1 901 . 1 . 1 88 88 GLY CA C 13 46.292 0.40 . 1 . . . . . 88 GLY CA . 27481 1 902 . 1 . 1 88 88 GLY N N 15 108.067 0.2 . 1 . . . . . 88 GLY N . 27481 1 903 . 1 . 1 89 89 ASN H H 1 8.115 0.04 . 1 . . . . . 89 ASN H . 27481 1 904 . 1 . 1 89 89 ASN HA H 1 4.849 0.04 . 1 . . . . . 89 ASN HA . 27481 1 905 . 1 . 1 89 89 ASN HB2 H 1 2.865 0.04 . 1 . . . . . 89 ASN HB2 . 27481 1 906 . 1 . 1 89 89 ASN HB3 H 1 2.865 0.04 . 1 . . . . . 89 ASN HB3 . 27481 1 907 . 1 . 1 89 89 ASN C C 13 175.479 0.4 . 1 . . . . . 89 ASN C . 27481 1 908 . 1 . 1 89 89 ASN CA C 13 52.138 0.40 . 1 . . . . . 89 ASN CA . 27481 1 909 . 1 . 1 89 89 ASN CB C 13 40.105 0.40 . 1 . . . . . 89 ASN CB . 27481 1 910 . 1 . 1 89 89 ASN N N 15 118.097 0.2 . 1 . . . . . 89 ASN N . 27481 1 911 . 1 . 1 90 90 ALA H H 1 9.154 0.04 . 1 . . . . . 90 ALA H . 27481 1 912 . 1 . 1 90 90 ALA HA H 1 4.043 0.04 . 1 . . . . . 90 ALA HA . 27481 1 913 . 1 . 1 90 90 ALA HB1 H 1 1.474 0.04 . 1 . . . . . 90 ALA HB* . 27481 1 914 . 1 . 1 90 90 ALA HB2 H 1 1.474 0.04 . 1 . . . . . 90 ALA HB* . 27481 1 915 . 1 . 1 90 90 ALA HB3 H 1 1.474 0.04 . 1 . . . . . 90 ALA HB* . 27481 1 916 . 1 . 1 90 90 ALA C C 13 179.360 0.4 . 1 . . . . . 90 ALA C . 27481 1 917 . 1 . 1 90 90 ALA CA C 13 55.908 0.40 . 1 . . . . . 90 ALA CA . 27481 1 918 . 1 . 1 90 90 ALA CB C 13 18.496 0.40 . 1 . . . . . 90 ALA CB . 27481 1 919 . 1 . 1 90 90 ALA N N 15 126.925 0.2 . 1 . . . . . 90 ALA N . 27481 1 920 . 1 . 1 91 91 GLU H H 1 8.384 0.04 . 1 . . . . . 91 GLU H . 27481 1 921 . 1 . 1 91 91 GLU HA H 1 4.046 0.04 . 1 . . . . . 91 GLU HA . 27481 1 922 . 1 . 1 91 91 GLU HB2 H 1 2.069 0.04 . 1 . . . . . 91 GLU HB2 . 27481 1 923 . 1 . 1 91 91 GLU HB3 H 1 2.069 0.04 . 1 . . . . . 91 GLU HB3 . 27481 1 924 . 1 . 1 91 91 GLU C C 13 179.422 0.4 . 1 . . . . . 91 GLU C . 27481 1 925 . 1 . 1 91 91 GLU CA C 13 59.733 0.40 . 1 . . . . . 91 GLU CA . 27481 1 926 . 1 . 1 91 91 GLU CB C 13 29.055 0.40 . 1 . . . . . 91 GLU CB . 27481 1 927 . 1 . 1 91 91 GLU N N 15 119.760 0.2 . 1 . . . . . 91 GLU N . 27481 1 928 . 1 . 1 92 92 GLN H H 1 8.263 0.04 . 1 . . . . . 92 GLN H . 27481 1 929 . 1 . 1 92 92 GLN HA H 1 4.056 0.04 . 1 . . . . . 92 GLN HA . 27481 1 930 . 1 . 1 92 92 GLN HB2 H 1 2.005 0.04 . 2 . . . . . 92 GLN HB2 . 27481 1 931 . 1 . 1 92 92 GLN HB3 H 1 2.079 0.04 . 2 . . . . . 92 GLN HB3 . 27481 1 932 . 1 . 1 92 92 GLN HE21 H 1 6.633 0.04 . 2 . . . . . 92 GLN HE21 . 27481 1 933 . 1 . 1 92 92 GLN HE22 H 1 7.363 0.04 . 2 . . . . . 92 GLN HE22 . 27481 1 934 . 1 . 1 92 92 GLN C C 13 179.036 0.4 . 1 . . . . . 92 GLN C . 27481 1 935 . 1 . 1 92 92 GLN CA C 13 58.233 0.40 . 1 . . . . . 92 GLN CA . 27481 1 936 . 1 . 1 92 92 GLN CB C 13 28.264 0.40 . 1 . . . . . 92 GLN CB . 27481 1 937 . 1 . 1 92 92 GLN N N 15 119.917 0.2 . 1 . . . . . 92 GLN N . 27481 1 938 . 1 . 1 92 92 GLN NE2 N 15 110.623 0.2 . 1 . . . . . 92 GLN NE2 . 27481 1 939 . 1 . 1 93 93 PHE H H 1 8.316 0.04 . 1 . . . . . 93 PHE H . 27481 1 940 . 1 . 1 93 93 PHE HA H 1 4.181 0.04 . 1 . . . . . 93 PHE HA . 27481 1 941 . 1 . 1 93 93 PHE HB2 H 1 3.001 0.04 . 2 . . . . . 93 PHE HB2 . 27481 1 942 . 1 . 1 93 93 PHE HB3 H 1 3.253 0.04 . 2 . . . . . 93 PHE HB3 . 27481 1 943 . 1 . 1 93 93 PHE HD1 H 1 6.998 0.04 . 3 . . . . . 93 PHE HD* . 27481 1 944 . 1 . 1 93 93 PHE HD2 H 1 6.998 0.04 . 3 . . . . . 93 PHE HD* . 27481 1 945 . 1 . 1 93 93 PHE C C 13 176.377 0.4 . 1 . . . . . 93 PHE C . 27481 1 946 . 1 . 1 93 93 PHE CA C 13 61.234 0.40 . 1 . . . . . 93 PHE CA . 27481 1 947 . 1 . 1 93 93 PHE CB C 13 39.182 0.40 . 1 . . . . . 93 PHE CB . 27481 1 948 . 1 . 1 93 93 PHE CD1 C 13 131.455 0.4 . 3 . . . . . 93 PHE CD* . 27481 1 949 . 1 . 1 93 93 PHE CD2 C 13 131.455 0.4 . 3 . . . . . 93 PHE CD* . 27481 1 950 . 1 . 1 93 93 PHE N N 15 120.721 0.2 . 1 . . . . . 93 PHE N . 27481 1 951 . 1 . 1 94 94 ALA H H 1 8.367 0.04 . 1 . . . . . 94 ALA H . 27481 1 952 . 1 . 1 94 94 ALA HA H 1 3.552 0.04 . 1 . . . . . 94 ALA HA . 27481 1 953 . 1 . 1 94 94 ALA HB1 H 1 1.368 0.04 . 1 . . . . . 94 ALA HB* . 27481 1 954 . 1 . 1 94 94 ALA HB2 H 1 1.368 0.04 . 1 . . . . . 94 ALA HB* . 27481 1 955 . 1 . 1 94 94 ALA HB3 H 1 1.368 0.04 . 1 . . . . . 94 ALA HB* . 27481 1 956 . 1 . 1 94 94 ALA C C 13 179.502 0.4 . 1 . . . . . 94 ALA C . 27481 1 957 . 1 . 1 94 94 ALA CA C 13 55.609 0.40 . 1 . . . . . 94 ALA CA . 27481 1 958 . 1 . 1 94 94 ALA CB C 13 17.499 0.40 . 1 . . . . . 94 ALA CB . 27481 1 959 . 1 . 1 94 94 ALA N N 15 120.729 0.2 . 1 . . . . . 94 ALA N . 27481 1 960 . 1 . 1 95 95 SER H H 1 7.650 0.04 . 1 . . . . . 95 SER H . 27481 1 961 . 1 . 1 95 95 SER HA H 1 4.042 0.04 . 1 . . . . . 95 SER HA . 27481 1 962 . 1 . 1 95 95 SER HB2 H 1 3.824 0.04 . 2 . . . . . 95 SER HB2 . 27481 1 963 . 1 . 1 95 95 SER HB3 H 1 3.848 0.04 . 2 . . . . . 95 SER HB3 . 27481 1 964 . 1 . 1 95 95 SER C C 13 176.817 0.4 . 1 . . . . . 95 SER C . 27481 1 965 . 1 . 1 95 95 SER CA C 13 61.535 0.40 . 1 . . . . . 95 SER CA . 27481 1 966 . 1 . 1 95 95 SER CB C 13 62.586 0.40 . 1 . . . . . 95 SER CB . 27481 1 967 . 1 . 1 95 95 SER N N 15 112.424 0.2 . 1 . . . . . 95 SER N . 27481 1 968 . 1 . 1 96 96 LEU H H 1 7.742 0.04 . 1 . . . . . 96 LEU H . 27481 1 969 . 1 . 1 96 96 LEU HA H 1 3.943 0.04 . 1 . . . . . 96 LEU HA . 27481 1 970 . 1 . 1 96 96 LEU HB2 H 1 1.622 0.04 . 2 . . . . . 96 LEU HB2 . 27481 1 971 . 1 . 1 96 96 LEU HB3 H 1 1.730 0.04 . 2 . . . . . 96 LEU HB3 . 27481 1 972 . 1 . 1 96 96 LEU HG H 1 1.502 0.04 . 1 . . . . . 96 LEU HG . 27481 1 973 . 1 . 1 96 96 LEU HD11 H 1 0.742 0.04 . 2 . . . . . 96 LEU HD1* . 27481 1 974 . 1 . 1 96 96 LEU HD12 H 1 0.742 0.04 . 2 . . . . . 96 LEU HD1* . 27481 1 975 . 1 . 1 96 96 LEU HD13 H 1 0.742 0.04 . 2 . . . . . 96 LEU HD1* . 27481 1 976 . 1 . 1 96 96 LEU HD21 H 1 0.801 0.04 . 2 . . . . . 96 LEU HD2* . 27481 1 977 . 1 . 1 96 96 LEU HD22 H 1 0.801 0.04 . 2 . . . . . 96 LEU HD2* . 27481 1 978 . 1 . 1 96 96 LEU HD23 H 1 0.801 0.04 . 2 . . . . . 96 LEU HD2* . 27481 1 979 . 1 . 1 96 96 LEU C C 13 178.657 0.4 . 1 . . . . . 96 LEU C . 27481 1 980 . 1 . 1 96 96 LEU CA C 13 57.826 0.40 . 1 . . . . . 96 LEU CA . 27481 1 981 . 1 . 1 96 96 LEU CB C 13 41.568 0.40 . 1 . . . . . 96 LEU CB . 27481 1 982 . 1 . 1 96 96 LEU CG C 13 27.024 0.40 . 1 . . . . . 96 LEU CG . 27481 1 983 . 1 . 1 96 96 LEU CD1 C 13 25.425 0.40 . 2 . . . . . 96 LEU CD1 . 27481 1 984 . 1 . 1 96 96 LEU CD2 C 13 25.292 0.40 . 2 . . . . . 96 LEU CD2 . 27481 1 985 . 1 . 1 96 96 LEU N N 15 124.382 0.2 . 1 . . . . . 96 LEU N . 27481 1 986 . 1 . 1 97 97 VAL H H 1 8.212 0.04 . 1 . . . . . 97 VAL H . 27481 1 987 . 1 . 1 97 97 VAL HA H 1 3.098 0.04 . 1 . . . . . 97 VAL HA . 27481 1 988 . 1 . 1 97 97 VAL HB H 1 1.741 0.04 . 1 . . . . . 97 VAL HB . 27481 1 989 . 1 . 1 97 97 VAL HG11 H 1 0.237 0.04 . 2 . . . . . 97 VAL HG1* . 27481 1 990 . 1 . 1 97 97 VAL HG12 H 1 0.237 0.04 . 2 . . . . . 97 VAL HG1* . 27481 1 991 . 1 . 1 97 97 VAL HG13 H 1 0.237 0.04 . 2 . . . . . 97 VAL HG1* . 27481 1 992 . 1 . 1 97 97 VAL HG21 H 1 0.751 0.04 . 2 . . . . . 97 VAL HG2* . 27481 1 993 . 1 . 1 97 97 VAL HG22 H 1 0.751 0.04 . 2 . . . . . 97 VAL HG2* . 27481 1 994 . 1 . 1 97 97 VAL HG23 H 1 0.751 0.04 . 2 . . . . . 97 VAL HG2* . 27481 1 995 . 1 . 1 97 97 VAL C C 13 177.450 0.4 . 1 . . . . . 97 VAL C . 27481 1 996 . 1 . 1 97 97 VAL CA C 13 66.958 0.40 . 1 . . . . . 97 VAL CA . 27481 1 997 . 1 . 1 97 97 VAL CB C 13 30.563 0.40 . 1 . . . . . 97 VAL CB . 27481 1 998 . 1 . 1 97 97 VAL CG1 C 13 23.729 0.40 . 2 . . . . . 97 VAL CG1 . 27481 1 999 . 1 . 1 97 97 VAL CG2 C 13 23.092 0.40 . 2 . . . . . 97 VAL CG2 . 27481 1 1000 . 1 . 1 97 97 VAL N N 15 119.193 0.2 . 1 . . . . . 97 VAL N . 27481 1 1001 . 1 . 1 98 98 GLN H H 1 7.936 0.04 . 1 . . . . . 98 GLN H . 27481 1 1002 . 1 . 1 98 98 GLN HA H 1 3.877 0.04 . 1 . . . . . 98 GLN HA . 27481 1 1003 . 1 . 1 98 98 GLN HB2 H 1 2.092 0.04 . 1 . . . . . 98 GLN HB2 . 27481 1 1004 . 1 . 1 98 98 GLN HB3 H 1 2.092 0.04 . 1 . . . . . 98 GLN HB3 . 27481 1 1005 . 1 . 1 98 98 GLN HE21 H 1 6.753 0.04 . 2 . . . . . 98 GLN HE21 . 27481 1 1006 . 1 . 1 98 98 GLN HE22 H 1 7.168 0.04 . 2 . . . . . 98 GLN HE22 . 27481 1 1007 . 1 . 1 98 98 GLN C C 13 178.208 0.4 . 1 . . . . . 98 GLN C . 27481 1 1008 . 1 . 1 98 98 GLN CA C 13 59.575 0.40 . 1 . . . . . 98 GLN CA . 27481 1 1009 . 1 . 1 98 98 GLN CB C 13 28.094 0.40 . 1 . . . . . 98 GLN CB . 27481 1 1010 . 1 . 1 98 98 GLN N N 15 118.641 0.2 . 1 . . . . . 98 GLN N . 27481 1 1011 . 1 . 1 98 98 GLN NE2 N 15 111.120 0.2 . 1 . . . . . 98 GLN NE2 . 27481 1 1012 . 1 . 1 99 99 GLN H H 1 7.597 0.04 . 1 . . . . . 99 GLN H . 27481 1 1013 . 1 . 1 99 99 GLN HA H 1 3.934 0.04 . 1 . . . . . 99 GLN HA . 27481 1 1014 . 1 . 1 99 99 GLN HB2 H 1 2.112 0.04 . 1 . . . . . 99 GLN HB2 . 27481 1 1015 . 1 . 1 99 99 GLN HB3 H 1 2.112 0.04 . 1 . . . . . 99 GLN HB3 . 27481 1 1016 . 1 . 1 99 99 GLN HE21 H 1 6.537 0.04 . 2 . . . . . 99 GLN HE21 . 27481 1 1017 . 1 . 1 99 99 GLN HE22 H 1 7.127 0.04 . 2 . . . . . 99 GLN HE22 . 27481 1 1018 . 1 . 1 99 99 GLN C C 13 178.522 0.4 . 1 . . . . . 99 GLN C . 27481 1 1019 . 1 . 1 99 99 GLN CA C 13 58.943 0.40 . 1 . . . . . 99 GLN CA . 27481 1 1020 . 1 . 1 99 99 GLN CB C 13 28.505 0.40 . 1 . . . . . 99 GLN CB . 27481 1 1021 . 1 . 1 99 99 GLN N N 15 120.077 0.2 . 1 . . . . . 99 GLN N . 27481 1 1022 . 1 . 1 99 99 GLN NE2 N 15 112.883 0.2 . 1 . . . . . 99 GLN NE2 . 27481 1 1023 . 1 . 1 100 100 ILE H H 1 8.316 0.04 . 1 . . . . . 100 ILE H . 27481 1 1024 . 1 . 1 100 100 ILE HA H 1 2.938 0.04 . 1 . . . . . 100 ILE HA . 27481 1 1025 . 1 . 1 100 100 ILE HB H 1 1.530 0.04 . 1 . . . . . 100 ILE HB . 27481 1 1026 . 1 . 1 100 100 ILE HG12 H 1 -0.209 0.04 . 2 . . . . . 100 ILE HG12 . 27481 1 1027 . 1 . 1 100 100 ILE HG13 H 1 1.527 0.04 . 2 . . . . . 100 ILE HG13 . 27481 1 1028 . 1 . 1 100 100 ILE HG21 H 1 -0.019 0.04 . 1 . . . . . 100 ILE HG2* . 27481 1 1029 . 1 . 1 100 100 ILE HG22 H 1 -0.019 0.04 . 1 . . . . . 100 ILE HG2* . 27481 1 1030 . 1 . 1 100 100 ILE HG23 H 1 -0.019 0.04 . 1 . . . . . 100 ILE HG2* . 27481 1 1031 . 1 . 1 100 100 ILE HD11 H 1 0.600 0.04 . 1 . . . . . 100 ILE HD1* . 27481 1 1032 . 1 . 1 100 100 ILE HD12 H 1 0.600 0.04 . 1 . . . . . 100 ILE HD1* . 27481 1 1033 . 1 . 1 100 100 ILE HD13 H 1 0.600 0.04 . 1 . . . . . 100 ILE HD1* . 27481 1 1034 . 1 . 1 100 100 ILE C C 13 177.902 0.4 . 1 . . . . . 100 ILE C . 27481 1 1035 . 1 . 1 100 100 ILE CA C 13 66.476 0.40 . 1 . . . . . 100 ILE CA . 27481 1 1036 . 1 . 1 100 100 ILE CB C 13 37.277 0.40 . 1 . . . . . 100 ILE CB . 27481 1 1037 . 1 . 1 100 100 ILE CG1 C 13 29.637 0.40 . 1 . . . . . 100 ILE CG1 . 27481 1 1038 . 1 . 1 100 100 ILE CG2 C 13 15.811 0.40 . 1 . . . . . 100 ILE CG2 . 27481 1 1039 . 1 . 1 100 100 ILE CD1 C 13 13.630 0.40 . 1 . . . . . 100 ILE CD1 . 27481 1 1040 . 1 . 1 100 100 ILE N N 15 121.442 0.2 . 1 . . . . . 100 ILE N . 27481 1 1041 . 1 . 1 101 101 LEU H H 1 8.511 0.04 . 1 . . . . . 101 LEU H . 27481 1 1042 . 1 . 1 101 101 LEU HA H 1 3.768 0.04 . 1 . . . . . 101 LEU HA . 27481 1 1043 . 1 . 1 101 101 LEU HB2 H 1 1.600 0.04 . 2 . . . . . 101 LEU HB2 . 27481 1 1044 . 1 . 1 101 101 LEU HB3 H 1 1.739 0.04 . 2 . . . . . 101 LEU HB3 . 27481 1 1045 . 1 . 1 101 101 LEU HG H 1 1.507 0.04 . 1 . . . . . 101 LEU HG . 27481 1 1046 . 1 . 1 101 101 LEU HD11 H 1 0.858 0.04 . 2 . . . . . 101 LEU HD1* . 27481 1 1047 . 1 . 1 101 101 LEU HD12 H 1 0.858 0.04 . 2 . . . . . 101 LEU HD1* . 27481 1 1048 . 1 . 1 101 101 LEU HD13 H 1 0.858 0.04 . 2 . . . . . 101 LEU HD1* . 27481 1 1049 . 1 . 1 101 101 LEU HD21 H 1 0.974 0.04 . 2 . . . . . 101 LEU HD2* . 27481 1 1050 . 1 . 1 101 101 LEU HD22 H 1 0.974 0.04 . 2 . . . . . 101 LEU HD2* . 27481 1 1051 . 1 . 1 101 101 LEU HD23 H 1 0.974 0.04 . 2 . . . . . 101 LEU HD2* . 27481 1 1052 . 1 . 1 101 101 LEU C C 13 178.942 0.4 . 1 . . . . . 101 LEU C . 27481 1 1053 . 1 . 1 101 101 LEU CA C 13 58.726 0.40 . 1 . . . . . 101 LEU CA . 27481 1 1054 . 1 . 1 101 101 LEU CB C 13 41.967 0.40 . 1 . . . . . 101 LEU CB . 27481 1 1055 . 1 . 1 101 101 LEU CG C 13 27.926 0.40 . 1 . . . . . 101 LEU CG . 27481 1 1056 . 1 . 1 101 101 LEU CD1 C 13 26.061 0.40 . 2 . . . . . 101 LEU CD1 . 27481 1 1057 . 1 . 1 101 101 LEU CD2 C 13 26.351 0.40 . 2 . . . . . 101 LEU CD2 . 27481 1 1058 . 1 . 1 101 101 LEU N N 15 119.826 0.2 . 1 . . . . . 101 LEU N . 27481 1 1059 . 1 . 1 102 102 GLN H H 1 7.920 0.04 . 1 . . . . . 102 GLN H . 27481 1 1060 . 1 . 1 102 102 GLN HA H 1 4.007 0.04 . 1 . . . . . 102 GLN HA . 27481 1 1061 . 1 . 1 102 102 GLN HB2 H 1 2.112 0.04 . 2 . . . . . 102 GLN HB2 . 27481 1 1062 . 1 . 1 102 102 GLN HB3 H 1 2.198 0.04 . 2 . . . . . 102 GLN HB3 . 27481 1 1063 . 1 . 1 102 102 GLN HE21 H 1 6.796 0.04 . 2 . . . . . 102 GLN HE21 . 27481 1 1064 . 1 . 1 102 102 GLN HE22 H 1 7.357 0.04 . 2 . . . . . 102 GLN HE22 . 27481 1 1065 . 1 . 1 102 102 GLN C C 13 179.159 0.4 . 1 . . . . . 102 GLN C . 27481 1 1066 . 1 . 1 102 102 GLN CA C 13 59.149 0.40 . 1 . . . . . 102 GLN CA . 27481 1 1067 . 1 . 1 102 102 GLN CB C 13 28.213 0.40 . 1 . . . . . 102 GLN CB . 27481 1 1068 . 1 . 1 102 102 GLN N N 15 118.983 0.2 . 1 . . . . . 102 GLN N . 27481 1 1069 . 1 . 1 102 102 GLN NE2 N 15 111.367 0.2 . 1 . . . . . 102 GLN NE2 . 27481 1 1070 . 1 . 1 103 103 ASP H H 1 8.056 0.04 . 1 . . . . . 103 ASP H . 27481 1 1071 . 1 . 1 103 103 ASP HA H 1 4.234 0.04 . 1 . . . . . 103 ASP HA . 27481 1 1072 . 1 . 1 103 103 ASP HB2 H 1 2.299 0.04 . 2 . . . . . 103 ASP HB2 . 27481 1 1073 . 1 . 1 103 103 ASP HB3 H 1 3.196 0.04 . 2 . . . . . 103 ASP HB3 . 27481 1 1074 . 1 . 1 103 103 ASP C C 13 177.848 0.4 . 1 . . . . . 103 ASP C . 27481 1 1075 . 1 . 1 103 103 ASP CA C 13 57.046 0.40 . 1 . . . . . 103 ASP CA . 27481 1 1076 . 1 . 1 103 103 ASP CB C 13 40.095 0.40 . 1 . . . . . 103 ASP CB . 27481 1 1077 . 1 . 1 103 103 ASP N N 15 120.775 0.2 . 1 . . . . . 103 ASP N . 27481 1 1078 . 1 . 1 104 104 GLU H H 1 8.428 0.04 . 1 . . . . . 104 GLU H . 27481 1 1079 . 1 . 1 104 104 GLU HA H 1 3.859 0.04 . 1 . . . . . 104 GLU HA . 27481 1 1080 . 1 . 1 104 104 GLU HB2 H 1 2.223 0.04 . 2 . . . . . 104 GLU HB2 . 27481 1 1081 . 1 . 1 104 104 GLU HB3 H 1 2.696 0.04 . 2 . . . . . 104 GLU HB3 . 27481 1 1082 . 1 . 1 104 104 GLU C C 13 178.552 0.4 . 1 . . . . . 104 GLU C . 27481 1 1083 . 1 . 1 104 104 GLU CA C 13 58.235 0.40 . 1 . . . . . 104 GLU CA . 27481 1 1084 . 1 . 1 104 104 GLU CB C 13 28.418 0.40 . 1 . . . . . 104 GLU CB . 27481 1 1085 . 1 . 1 104 104 GLU N N 15 117.422 0.2 . 1 . . . . . 104 GLU N . 27481 1 1086 . 1 . 1 105 105 GLN H H 1 8.308 0.04 . 1 . . . . . 105 GLN H . 27481 1 1087 . 1 . 1 105 105 GLN HA H 1 3.933 0.04 . 1 . . . . . 105 GLN HA . 27481 1 1088 . 1 . 1 105 105 GLN HB2 H 1 2.028 0.04 . 2 . . . . . 105 GLN HB2 . 27481 1 1089 . 1 . 1 105 105 GLN HB3 H 1 2.172 0.04 . 2 . . . . . 105 GLN HB3 . 27481 1 1090 . 1 . 1 105 105 GLN HE21 H 1 6.735 0.04 . 2 . . . . . 105 GLN HE21 . 27481 1 1091 . 1 . 1 105 105 GLN HE22 H 1 7.443 0.04 . 2 . . . . . 105 GLN HE22 . 27481 1 1092 . 1 . 1 105 105 GLN C C 13 178.742 0.4 . 1 . . . . . 105 GLN C . 27481 1 1093 . 1 . 1 105 105 GLN CA C 13 58.892 0.40 . 1 . . . . . 105 GLN CA . 27481 1 1094 . 1 . 1 105 105 GLN CB C 13 27.859 0.40 . 1 . . . . . 105 GLN CB . 27481 1 1095 . 1 . 1 105 105 GLN N N 15 118.035 0.2 . 1 . . . . . 105 GLN N . 27481 1 1096 . 1 . 1 105 105 GLN NE2 N 15 110.797 0.2 . 1 . . . . . 105 GLN NE2 . 27481 1 1097 . 1 . 1 106 106 ARG H H 1 7.677 0.04 . 1 . . . . . 106 ARG H . 27481 1 1098 . 1 . 1 106 106 ARG HA H 1 4.099 0.04 . 1 . . . . . 106 ARG HA . 27481 1 1099 . 1 . 1 106 106 ARG HB2 H 1 1.857 0.04 . 2 . . . . . 106 ARG HB2 . 27481 1 1100 . 1 . 1 106 106 ARG HB3 H 1 1.947 0.04 . 2 . . . . . 106 ARG HB3 . 27481 1 1101 . 1 . 1 106 106 ARG C C 13 178.863 0.4 . 1 . . . . . 106 ARG C . 27481 1 1102 . 1 . 1 106 106 ARG CA C 13 59.300 0.40 . 1 . . . . . 106 ARG CA . 27481 1 1103 . 1 . 1 106 106 ARG CB C 13 29.278 0.40 . 1 . . . . . 106 ARG CB . 27481 1 1104 . 1 . 1 106 106 ARG N N 15 120.318 0.2 . 1 . . . . . 106 ARG N . 27481 1 1105 . 1 . 1 107 107 HIS H H 1 8.000 0.04 . 1 . . . . . 107 HIS H . 27481 1 1106 . 1 . 1 107 107 HIS HA H 1 4.515 0.04 . 1 . . . . . 107 HIS HA . 27481 1 1107 . 1 . 1 107 107 HIS HB2 H 1 2.878 0.04 . 2 . . . . . 107 HIS HB2 . 27481 1 1108 . 1 . 1 107 107 HIS HB3 H 1 3.717 0.04 . 2 . . . . . 107 HIS HB3 . 27481 1 1109 . 1 . 1 107 107 HIS C C 13 177.030 0.4 . 1 . . . . . 107 HIS C . 27481 1 1110 . 1 . 1 107 107 HIS CA C 13 56.817 0.40 . 1 . . . . . 107 HIS CA . 27481 1 1111 . 1 . 1 107 107 HIS CB C 13 28.675 0.40 . 1 . . . . . 107 HIS CB . 27481 1 1112 . 1 . 1 107 107 HIS N N 15 117.264 0.2 . 1 . . . . . 107 HIS N . 27481 1 1113 . 1 . 1 108 108 VAL H H 1 7.890 0.04 . 1 . . . . . 108 VAL H . 27481 1 1114 . 1 . 1 108 108 VAL HA H 1 3.414 0.04 . 1 . . . . . 108 VAL HA . 27481 1 1115 . 1 . 1 108 108 VAL HB H 1 2.162 0.04 . 1 . . . . . 108 VAL HB . 27481 1 1116 . 1 . 1 108 108 VAL HG11 H 1 0.860 0.04 . 2 . . . . . 108 VAL HG1* . 27481 1 1117 . 1 . 1 108 108 VAL HG12 H 1 0.860 0.04 . 2 . . . . . 108 VAL HG1* . 27481 1 1118 . 1 . 1 108 108 VAL HG13 H 1 0.860 0.04 . 2 . . . . . 108 VAL HG1* . 27481 1 1119 . 1 . 1 108 108 VAL HG21 H 1 0.995 0.04 . 2 . . . . . 108 VAL HG2* . 27481 1 1120 . 1 . 1 108 108 VAL HG22 H 1 0.995 0.04 . 2 . . . . . 108 VAL HG2* . 27481 1 1121 . 1 . 1 108 108 VAL HG23 H 1 0.995 0.04 . 2 . . . . . 108 VAL HG2* . 27481 1 1122 . 1 . 1 108 108 VAL C C 13 177.339 0.4 . 1 . . . . . 108 VAL C . 27481 1 1123 . 1 . 1 108 108 VAL CA C 13 67.275 0.40 . 1 . . . . . 108 VAL CA . 27481 1 1124 . 1 . 1 108 108 VAL CB C 13 31.671 0.40 . 1 . . . . . 108 VAL CB . 27481 1 1125 . 1 . 1 108 108 VAL CG1 C 13 21.149 0.40 . 2 . . . . . 108 VAL CG1 . 27481 1 1126 . 1 . 1 108 108 VAL CG2 C 13 23.385 0.40 . 2 . . . . . 108 VAL CG2 . 27481 1 1127 . 1 . 1 108 108 VAL N N 15 117.995 0.2 . 1 . . . . . 108 VAL N . 27481 1 1128 . 1 . 1 109 109 GLU H H 1 7.661 0.04 . 1 . . . . . 109 GLU H . 27481 1 1129 . 1 . 1 109 109 GLU HA H 1 3.997 0.04 . 1 . . . . . 109 GLU HA . 27481 1 1130 . 1 . 1 109 109 GLU HB2 H 1 2.045 0.04 . 2 . . . . . 109 GLU HB2 . 27481 1 1131 . 1 . 1 109 109 GLU HB3 H 1 2.190 0.04 . 2 . . . . . 109 GLU HB3 . 27481 1 1132 . 1 . 1 109 109 GLU C C 13 179.410 0.4 . 1 . . . . . 109 GLU C . 27481 1 1133 . 1 . 1 109 109 GLU CA C 13 59.162 0.40 . 1 . . . . . 109 GLU CA . 27481 1 1134 . 1 . 1 109 109 GLU CB C 13 29.421 0.40 . 1 . . . . . 109 GLU CB . 27481 1 1135 . 1 . 1 109 109 GLU N N 15 118.249 0.2 . 1 . . . . . 109 GLU N . 27481 1 1136 . 1 . 1 110 110 GLU H H 1 8.164 0.04 . 1 . . . . . 110 GLU H . 27481 1 1137 . 1 . 1 110 110 GLU HA H 1 3.976 0.04 . 1 . . . . . 110 GLU HA . 27481 1 1138 . 1 . 1 110 110 GLU HB2 H 1 2.011 0.04 . 2 . . . . . 110 GLU HB2 . 27481 1 1139 . 1 . 1 110 110 GLU HB3 H 1 2.235 0.04 . 2 . . . . . 110 GLU HB3 . 27481 1 1140 . 1 . 1 110 110 GLU C C 13 179.240 0.4 . 1 . . . . . 110 GLU C . 27481 1 1141 . 1 . 1 110 110 GLU CA C 13 59.056 0.40 . 1 . . . . . 110 GLU CA . 27481 1 1142 . 1 . 1 110 110 GLU CB C 13 29.585 0.40 . 1 . . . . . 110 GLU CB . 27481 1 1143 . 1 . 1 110 110 GLU N N 15 118.217 0.2 . 1 . . . . . 110 GLU N . 27481 1 1144 . 1 . 1 111 111 ILE H H 1 8.154 0.04 . 1 . . . . . 111 ILE H . 27481 1 1145 . 1 . 1 111 111 ILE HA H 1 3.641 0.04 . 1 . . . . . 111 ILE HA . 27481 1 1146 . 1 . 1 111 111 ILE HB H 1 1.936 0.04 . 1 . . . . . 111 ILE HB . 27481 1 1147 . 1 . 1 111 111 ILE HG12 H 1 0.990 0.04 . 2 . . . . . 111 ILE HG12 . 27481 1 1148 . 1 . 1 111 111 ILE HG13 H 1 1.720 0.04 . 2 . . . . . 111 ILE HG13 . 27481 1 1149 . 1 . 1 111 111 ILE HG21 H 1 0.857 0.04 . 1 . . . . . 111 ILE HG2* . 27481 1 1150 . 1 . 1 111 111 ILE HG22 H 1 0.857 0.04 . 1 . . . . . 111 ILE HG2* . 27481 1 1151 . 1 . 1 111 111 ILE HG23 H 1 0.857 0.04 . 1 . . . . . 111 ILE HG2* . 27481 1 1152 . 1 . 1 111 111 ILE HD11 H 1 0.694 0.04 . 1 . . . . . 111 ILE HD1* . 27481 1 1153 . 1 . 1 111 111 ILE HD12 H 1 0.694 0.04 . 1 . . . . . 111 ILE HD1* . 27481 1 1154 . 1 . 1 111 111 ILE HD13 H 1 0.694 0.04 . 1 . . . . . 111 ILE HD1* . 27481 1 1155 . 1 . 1 111 111 ILE C C 13 177.904 0.4 . 1 . . . . . 111 ILE C . 27481 1 1156 . 1 . 1 111 111 ILE CA C 13 64.391 0.40 . 1 . . . . . 111 ILE CA . 27481 1 1157 . 1 . 1 111 111 ILE CB C 13 38.040 0.40 . 1 . . . . . 111 ILE CB . 27481 1 1158 . 1 . 1 111 111 ILE CG1 C 13 28.860 0.40 . 1 . . . . . 111 ILE CG1 . 27481 1 1159 . 1 . 1 111 111 ILE CG2 C 13 18.556 0.40 . 1 . . . . . 111 ILE CG2 . 27481 1 1160 . 1 . 1 111 111 ILE CD1 C 13 13.512 0.40 . 1 . . . . . 111 ILE CD1 . 27481 1 1161 . 1 . 1 111 111 ILE N N 15 118.812 0.2 . 1 . . . . . 111 ILE N . 27481 1 1162 . 1 . 1 112 112 GLU H H 1 8.220 0.04 . 1 . . . . . 112 GLU H . 27481 1 1163 . 1 . 1 112 112 GLU HA H 1 4.056 0.04 . 1 . . . . . 112 GLU HA . 27481 1 1164 . 1 . 1 112 112 GLU HB2 H 1 2.007 0.04 . 1 . . . . . 112 GLU HB2 . 27481 1 1165 . 1 . 1 112 112 GLU HB3 H 1 2.007 0.04 . 1 . . . . . 112 GLU HB3 . 27481 1 1166 . 1 . 1 112 112 GLU C C 13 177.614 0.4 . 1 . . . . . 112 GLU C . 27481 1 1167 . 1 . 1 112 112 GLU CA C 13 58.262 0.40 . 1 . . . . . 112 GLU CA . 27481 1 1168 . 1 . 1 112 112 GLU CB C 13 29.981 0.40 . 1 . . . . . 112 GLU CB . 27481 1 1169 . 1 . 1 112 112 GLU N N 15 117.981 0.2 . 1 . . . . . 112 GLU N . 27481 1 1170 . 1 . 1 113 113 LYS H H 1 7.472 0.04 . 1 . . . . . 113 LYS H . 27481 1 1171 . 1 . 1 113 113 LYS HA H 1 4.124 0.04 . 1 . . . . . 113 LYS HA . 27481 1 1172 . 1 . 1 113 113 LYS HB2 H 1 1.853 0.04 . 1 . . . . . 113 LYS HB2 . 27481 1 1173 . 1 . 1 113 113 LYS HB3 H 1 1.853 0.04 . 1 . . . . . 113 LYS HB3 . 27481 1 1174 . 1 . 1 113 113 LYS C C 13 177.007 0.4 . 1 . . . . . 113 LYS C . 27481 1 1175 . 1 . 1 113 113 LYS CA C 13 57.599 0.40 . 1 . . . . . 113 LYS CA . 27481 1 1176 . 1 . 1 113 113 LYS CB C 13 32.776 0.40 . 1 . . . . . 113 LYS CB . 27481 1 1177 . 1 . 1 113 113 LYS N N 15 118.591 0.2 . 1 . . . . . 113 LYS N . 27481 1 1178 . 1 . 1 114 114 LYS H H 1 7.955 0.04 . 1 . . . . . 114 LYS H . 27481 1 1179 . 1 . 1 114 114 LYS HA H 1 4.335 0.04 . 1 . . . . . 114 LYS HA . 27481 1 1180 . 1 . 1 114 114 LYS HB2 H 1 1.755 0.04 . 2 . . . . . 114 LYS HB2 . 27481 1 1181 . 1 . 1 114 114 LYS HB3 H 1 1.878 0.04 . 2 . . . . . 114 LYS HB3 . 27481 1 1182 . 1 . 1 114 114 LYS C C 13 175.373 0.4 . 1 . . . . . 114 LYS C . 27481 1 1183 . 1 . 1 114 114 LYS CA C 13 55.703 0.40 . 1 . . . . . 114 LYS CA . 27481 1 1184 . 1 . 1 114 114 LYS CB C 13 32.768 0.40 . 1 . . . . . 114 LYS CB . 27481 1 1185 . 1 . 1 114 114 LYS N N 15 121.245 0.2 . 1 . . . . . 114 LYS N . 27481 1 1186 . 1 . 1 115 115 ASN H H 1 7.806 0.04 . 1 . . . . . 115 ASN H . 27481 1 1187 . 1 . 1 115 115 ASN HA H 1 4.403 0.04 . 1 . . . . . 115 ASN HA . 27481 1 1188 . 1 . 1 115 115 ASN HB2 H 1 2.622 0.04 . 2 . . . . . 115 ASN HB2 . 27481 1 1189 . 1 . 1 115 115 ASN HB3 H 1 2.715 0.04 . 2 . . . . . 115 ASN HB3 . 27481 1 1190 . 1 . 1 115 115 ASN HD21 H 1 6.710 0.04 . 2 . . . . . 115 ASN HD21 . 27481 1 1191 . 1 . 1 115 115 ASN HD22 H 1 7.479 0.04 . 2 . . . . . 115 ASN HD22 . 27481 1 1192 . 1 . 1 115 115 ASN C C 13 179.55 0.4 . 1 . . . . . 115 ASN C . 27481 1 1193 . 1 . 1 115 115 ASN CA C 13 54.923 0.40 . 1 . . . . . 115 ASN CA . 27481 1 1194 . 1 . 1 115 115 ASN CB C 13 40.460 0.40 . 1 . . . . . 115 ASN CB . 27481 1 1195 . 1 . 1 115 115 ASN N N 15 124.878 0.2 . 1 . . . . . 115 ASN N . 27481 1 1196 . 1 . 1 115 115 ASN ND2 N 15 112.343 0.2 . 1 . . . . . 115 ASN ND2 . 27481 1 stop_ save_