data_30209 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30209 _Entry.Title ; NMR structure of the precursor protein PawS1 comprising SFTI-1 and a seed storage albumin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-14 _Entry.Accession_date 2016-12-14 _Entry.Last_release_date 2017-02-02 _Entry.Original_release_date 2017-02-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 B. Franke B. . . . 30209 2 A. James A. M. . . 30209 3 M. Mobli M. . . . 30209 4 M. Colgrave M. L. . . 30209 5 J. Mylne J. S. . . 30209 6 K. Rosengren K. J. . . 30209 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PLANT PROTEIN' . 30209 SFTI-1 . 30209 'Structure from MOLMOL' . 30209 'seed storage albumin' . 30209 'trypsin inhibitor' . 30209 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30209 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 482 30209 '15N chemical shifts' 109 30209 '1H chemical shifts' 765 30209 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-02-20 . original BMRB . 30209 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5U87 'BMRB Entry Tracking System' 30209 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30209 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR structure of the precursor protein PawS1 comprising SFTI-1 and a seed storage albumin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 B. Franke B. . . . 30209 1 2 A. James A. M. . . 30209 1 3 M. Mobli M. . . . 30209 1 4 M. Colgrave M. L. . . 30209 1 5 J. Mylne J. S. . . 30209 1 6 K. Rosengren K. J. . . 30209 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30209 _Assembly.ID 1 _Assembly.Name 'Preproalbumin PawS1' _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 entity_1 1 $entity_1 A A yes . . . . . . 30209 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30209 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GRCTKSIPPICFPDGLDNPR GCQIRIQQLNHCQMHLTSFD YKLRMAVENPKQQQHLSLCC NQLQEVEKQCQCEAIKQVVE QAQKQLQQGQGGQQQVQQMV KKAQMLPNQCNLQCSI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 36-151' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13280.334 _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 . GLY . 30209 1 2 . ARG . 30209 1 3 . CYS . 30209 1 4 . THR . 30209 1 5 . LYS . 30209 1 6 . SER . 30209 1 7 . ILE . 30209 1 8 . PRO . 30209 1 9 . PRO . 30209 1 10 . ILE . 30209 1 11 . CYS . 30209 1 12 . PHE . 30209 1 13 . PRO . 30209 1 14 . ASP . 30209 1 15 . GLY . 30209 1 16 . LEU . 30209 1 17 . ASP . 30209 1 18 . ASN . 30209 1 19 . PRO . 30209 1 20 . ARG . 30209 1 21 . GLY . 30209 1 22 . CYS . 30209 1 23 . GLN . 30209 1 24 . ILE . 30209 1 25 . ARG . 30209 1 26 . ILE . 30209 1 27 . GLN . 30209 1 28 . GLN . 30209 1 29 . LEU . 30209 1 30 . ASN . 30209 1 31 . HIS . 30209 1 32 . CYS . 30209 1 33 . GLN . 30209 1 34 . MET . 30209 1 35 . HIS . 30209 1 36 . LEU . 30209 1 37 . THR . 30209 1 38 . SER . 30209 1 39 . PHE . 30209 1 40 . ASP . 30209 1 41 . TYR . 30209 1 42 . LYS . 30209 1 43 . LEU . 30209 1 44 . ARG . 30209 1 45 . MET . 30209 1 46 . ALA . 30209 1 47 . VAL . 30209 1 48 . GLU . 30209 1 49 . ASN . 30209 1 50 . PRO . 30209 1 51 . LYS . 30209 1 52 . GLN . 30209 1 53 . GLN . 30209 1 54 . GLN . 30209 1 55 . HIS . 30209 1 56 . LEU . 30209 1 57 . SER . 30209 1 58 . LEU . 30209 1 59 . CYS . 30209 1 60 . CYS . 30209 1 61 . ASN . 30209 1 62 . GLN . 30209 1 63 . LEU . 30209 1 64 . GLN . 30209 1 65 . GLU . 30209 1 66 . VAL . 30209 1 67 . GLU . 30209 1 68 . LYS . 30209 1 69 . GLN . 30209 1 70 . CYS . 30209 1 71 . GLN . 30209 1 72 . CYS . 30209 1 73 . GLU . 30209 1 74 . ALA . 30209 1 75 . ILE . 30209 1 76 . LYS . 30209 1 77 . GLN . 30209 1 78 . VAL . 30209 1 79 . VAL . 30209 1 80 . GLU . 30209 1 81 . GLN . 30209 1 82 . ALA . 30209 1 83 . GLN . 30209 1 84 . LYS . 30209 1 85 . GLN . 30209 1 86 . LEU . 30209 1 87 . GLN . 30209 1 88 . GLN . 30209 1 89 . GLY . 30209 1 90 . GLN . 30209 1 91 . GLY . 30209 1 92 . GLY . 30209 1 93 . GLN . 30209 1 94 . GLN . 30209 1 95 . GLN . 30209 1 96 . VAL . 30209 1 97 . GLN . 30209 1 98 . GLN . 30209 1 99 . MET . 30209 1 100 . VAL . 30209 1 101 . LYS . 30209 1 102 . LYS . 30209 1 103 . ALA . 30209 1 104 . GLN . 30209 1 105 . MET . 30209 1 106 . LEU . 30209 1 107 . PRO . 30209 1 108 . ASN . 30209 1 109 . GLN . 30209 1 110 . CYS . 30209 1 111 . ASN . 30209 1 112 . LEU . 30209 1 113 . GLN . 30209 1 114 . CYS . 30209 1 115 . SER . 30209 1 116 . ILE . 30209 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30209 1 . ARG 2 2 30209 1 . CYS 3 3 30209 1 . THR 4 4 30209 1 . LYS 5 5 30209 1 . SER 6 6 30209 1 . ILE 7 7 30209 1 . PRO 8 8 30209 1 . PRO 9 9 30209 1 . ILE 10 10 30209 1 . CYS 11 11 30209 1 . PHE 12 12 30209 1 . PRO 13 13 30209 1 . ASP 14 14 30209 1 . GLY 15 15 30209 1 . LEU 16 16 30209 1 . ASP 17 17 30209 1 . ASN 18 18 30209 1 . PRO 19 19 30209 1 . ARG 20 20 30209 1 . GLY 21 21 30209 1 . CYS 22 22 30209 1 . GLN 23 23 30209 1 . ILE 24 24 30209 1 . ARG 25 25 30209 1 . ILE 26 26 30209 1 . GLN 27 27 30209 1 . GLN 28 28 30209 1 . LEU 29 29 30209 1 . ASN 30 30 30209 1 . HIS 31 31 30209 1 . CYS 32 32 30209 1 . GLN 33 33 30209 1 . MET 34 34 30209 1 . HIS 35 35 30209 1 . LEU 36 36 30209 1 . THR 37 37 30209 1 . SER 38 38 30209 1 . PHE 39 39 30209 1 . ASP 40 40 30209 1 . TYR 41 41 30209 1 . LYS 42 42 30209 1 . LEU 43 43 30209 1 . ARG 44 44 30209 1 . MET 45 45 30209 1 . ALA 46 46 30209 1 . VAL 47 47 30209 1 . GLU 48 48 30209 1 . ASN 49 49 30209 1 . PRO 50 50 30209 1 . LYS 51 51 30209 1 . GLN 52 52 30209 1 . GLN 53 53 30209 1 . GLN 54 54 30209 1 . HIS 55 55 30209 1 . LEU 56 56 30209 1 . SER 57 57 30209 1 . LEU 58 58 30209 1 . CYS 59 59 30209 1 . CYS 60 60 30209 1 . ASN 61 61 30209 1 . GLN 62 62 30209 1 . LEU 63 63 30209 1 . GLN 64 64 30209 1 . GLU 65 65 30209 1 . VAL 66 66 30209 1 . GLU 67 67 30209 1 . LYS 68 68 30209 1 . GLN 69 69 30209 1 . CYS 70 70 30209 1 . GLN 71 71 30209 1 . CYS 72 72 30209 1 . GLU 73 73 30209 1 . ALA 74 74 30209 1 . ILE 75 75 30209 1 . LYS 76 76 30209 1 . GLN 77 77 30209 1 . VAL 78 78 30209 1 . VAL 79 79 30209 1 . GLU 80 80 30209 1 . GLN 81 81 30209 1 . ALA 82 82 30209 1 . GLN 83 83 30209 1 . LYS 84 84 30209 1 . GLN 85 85 30209 1 . LEU 86 86 30209 1 . GLN 87 87 30209 1 . GLN 88 88 30209 1 . GLY 89 89 30209 1 . GLN 90 90 30209 1 . GLY 91 91 30209 1 . GLY 92 92 30209 1 . GLN 93 93 30209 1 . GLN 94 94 30209 1 . GLN 95 95 30209 1 . VAL 96 96 30209 1 . GLN 97 97 30209 1 . GLN 98 98 30209 1 . MET 99 99 30209 1 . VAL 100 100 30209 1 . LYS 101 101 30209 1 . LYS 102 102 30209 1 . ALA 103 103 30209 1 . GLN 104 104 30209 1 . MET 105 105 30209 1 . LEU 106 106 30209 1 . PRO 107 107 30209 1 . ASN 108 108 30209 1 . GLN 109 109 30209 1 . CYS 110 110 30209 1 . ASN 111 111 30209 1 . LEU 112 112 30209 1 . GLN 113 113 30209 1 . CYS 114 114 30209 1 . SER 115 115 30209 1 . ILE 116 116 30209 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 30209 _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 $entity_1 . 4232 organism . 'Helianthus annuus' 'Common sunflower' . . Eukaryota Viridiplantae Helianthus annuus . . . . . . . . . . . PawS1 . 30209 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 30209 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30209 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30209 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '3.9 mg/mL [U-13C; U-15N] Proalbumin PawS1, 90% H2O/10% D2O' _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 'Proalbumin PawS1' '[U-13C; U-15N]' . . 1 $entity_1 . . 3.9 . . mg/mL . . . . 30209 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 30209 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 30209 1 pH 4.62 . pH 30209 1 pressure 1 . bar 30209 1 temperature 298 . K 30209 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30209 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30209 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30209 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30209 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30209 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30209 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30209 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30209 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30209 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30209 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30209 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30209 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30209 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30209 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 30209 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 30209 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30209 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30209 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30209 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30209 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30209 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30209 1 7 '3D H(CC)(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30209 1 8 '3D (H)CC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30209 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30209 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30209 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30209 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30209 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.765 internal indirect 0.25144953 . . . . . 30209 1 H 1 water protons . . . . ppm 4.765 internal direct 1.0 . . . . . 30209 1 N 15 water protons . . . . ppm 4.765 internal indirect 0.10132912 . . . . . 30209 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30209 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 30209 1 2 '2D 1H-13C HSQC' . . . 30209 1 3 '3D HNCACB' . . . 30209 1 4 '3D CBCA(CO)NH' . . . 30209 1 5 '3D HNCO' . . . 30209 1 6 '3D HBHA(CO)NH' . . . 30209 1 7 '3D H(CC)(CO)NH-TOCSY' . . . 30209 1 8 '3D (H)CC(CO)NH-TOCSY' . . . 30209 1 9 '3D 1H-15N NOESY' . . . 30209 1 10 '3D 1H-13C NOESY aliphatic' . . . 30209 1 11 '3D 1H-13C NOESY aromatic' . . . 30209 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.805 0.000 . . . . . A 1 GLY HA2 . 30209 1 2 . 1 1 1 1 GLY HA3 H 1 3.805 0.000 . . . . . A 1 GLY HA3 . 30209 1 3 . 1 1 1 1 GLY CA C 13 43.446 0.003 . . . . . A 1 GLY CA . 30209 1 4 . 1 1 1 1 GLY N N 15 120.567 0.000 . . . . . A 1 GLY N . 30209 1 5 . 1 1 2 2 ARG H H 1 8.650 0.001 . . . . . A 2 ARG H . 30209 1 6 . 1 1 2 2 ARG HA H 1 4.470 0.001 . . . . . A 2 ARG HA . 30209 1 7 . 1 1 2 2 ARG HB2 H 1 1.836 0.001 . . . . . A 2 ARG HB2 . 30209 1 8 . 1 1 2 2 ARG HB3 H 1 1.766 0.001 . . . . . A 2 ARG HB3 . 30209 1 9 . 1 1 2 2 ARG HG2 H 1 1.610 0.001 . . . . . A 2 ARG HG2 . 30209 1 10 . 1 1 2 2 ARG HG3 H 1 1.540 0.001 . . . . . A 2 ARG HG3 . 30209 1 11 . 1 1 2 2 ARG HD2 H 1 3.127 0.000 . . . . . A 2 ARG HD2 . 30209 1 12 . 1 1 2 2 ARG HD3 H 1 3.127 0.000 . . . . . A 2 ARG HD3 . 30209 1 13 . 1 1 2 2 ARG C C 13 175.383 0.000 . . . . . A 2 ARG C . 30209 1 14 . 1 1 2 2 ARG CA C 13 56.235 0.010 . . . . . A 2 ARG CA . 30209 1 15 . 1 1 2 2 ARG CB C 13 31.517 0.001 . . . . . A 2 ARG CB . 30209 1 16 . 1 1 2 2 ARG CG C 13 27.346 0.004 . . . . . A 2 ARG CG . 30209 1 17 . 1 1 2 2 ARG CD C 13 43.483 0.002 . . . . . A 2 ARG CD . 30209 1 18 . 1 1 2 2 ARG N N 15 120.943 0.002 . . . . . A 2 ARG N . 30209 1 19 . 1 1 3 3 CYS H H 1 8.446 0.000 . . . . . A 3 CYS H . 30209 1 20 . 1 1 3 3 CYS HA H 1 5.624 0.001 . . . . . A 3 CYS HA . 30209 1 21 . 1 1 3 3 CYS HB2 H 1 3.031 0.000 . . . . . A 3 CYS HB2 . 30209 1 22 . 1 1 3 3 CYS HB3 H 1 2.779 0.001 . . . . . A 3 CYS HB3 . 30209 1 23 . 1 1 3 3 CYS C C 13 175.183 0.000 . . . . . A 3 CYS C . 30209 1 24 . 1 1 3 3 CYS CA C 13 55.445 0.002 . . . . . A 3 CYS CA . 30209 1 25 . 1 1 3 3 CYS CB C 13 48.472 0.001 . . . . . A 3 CYS CB . 30209 1 26 . 1 1 3 3 CYS N N 15 119.417 0.000 . . . . . A 3 CYS N . 30209 1 27 . 1 1 4 4 THR H H 1 8.945 0.001 . . . . . A 4 THR H . 30209 1 28 . 1 1 4 4 THR HA H 1 4.317 0.000 . . . . . A 4 THR HA . 30209 1 29 . 1 1 4 4 THR HB H 1 4.473 0.000 . . . . . A 4 THR HB . 30209 1 30 . 1 1 4 4 THR HG21 H 1 1.361 0.005 . . . . . A 4 THR HG21 . 30209 1 31 . 1 1 4 4 THR HG22 H 1 1.361 0.005 . . . . . A 4 THR HG22 . 30209 1 32 . 1 1 4 4 THR HG23 H 1 1.361 0.005 . . . . . A 4 THR HG23 . 30209 1 33 . 1 1 4 4 THR C C 13 174.116 0.000 . . . . . A 4 THR C . 30209 1 34 . 1 1 4 4 THR CA C 13 61.661 0.019 . . . . . A 4 THR CA . 30209 1 35 . 1 1 4 4 THR CB C 13 70.555 0.003 . . . . . A 4 THR CB . 30209 1 36 . 1 1 4 4 THR CG2 C 13 22.457 0.003 . . . . . A 4 THR CG2 . 30209 1 37 . 1 1 4 4 THR N N 15 114.447 0.000 . . . . . A 4 THR N . 30209 1 38 . 1 1 5 5 LYS H H 1 8.488 0.001 . . . . . A 5 LYS H . 30209 1 39 . 1 1 5 5 LYS HA H 1 4.387 0.004 . . . . . A 5 LYS HA . 30209 1 40 . 1 1 5 5 LYS HB2 H 1 1.928 0.001 . . . . . A 5 LYS HB2 . 30209 1 41 . 1 1 5 5 LYS HB3 H 1 1.608 0.001 . . . . . A 5 LYS HB3 . 30209 1 42 . 1 1 5 5 LYS HG2 H 1 1.198 0.000 . . . . . A 5 LYS HG2 . 30209 1 43 . 1 1 5 5 LYS HG3 H 1 1.198 0.000 . . . . . A 5 LYS HG3 . 30209 1 44 . 1 1 5 5 LYS HD2 H 1 1.419 0.001 . . . . . A 5 LYS HD2 . 30209 1 45 . 1 1 5 5 LYS HD3 H 1 1.335 0.001 . . . . . A 5 LYS HD3 . 30209 1 46 . 1 1 5 5 LYS HE2 H 1 2.923 0.000 . . . . . A 5 LYS HE2 . 30209 1 47 . 1 1 5 5 LYS HE3 H 1 2.923 0.000 . . . . . A 5 LYS HE3 . 30209 1 48 . 1 1 5 5 LYS C C 13 176.164 0.000 . . . . . A 5 LYS C . 30209 1 49 . 1 1 5 5 LYS CA C 13 55.343 0.015 . . . . . A 5 LYS CA . 30209 1 50 . 1 1 5 5 LYS CB C 13 31.083 0.004 . . . . . A 5 LYS CB . 30209 1 51 . 1 1 5 5 LYS CG C 13 24.921 0.001 . . . . . A 5 LYS CG . 30209 1 52 . 1 1 5 5 LYS CD C 13 29.116 0.000 . . . . . A 5 LYS CD . 30209 1 53 . 1 1 5 5 LYS CE C 13 42.302 0.001 . . . . . A 5 LYS CE . 30209 1 54 . 1 1 5 5 LYS N N 15 119.878 0.000 . . . . . A 5 LYS N . 30209 1 55 . 1 1 6 6 SER H H 1 7.244 0.001 . . . . . A 6 SER H . 30209 1 56 . 1 1 6 6 SER HA H 1 4.301 0.000 . . . . . A 6 SER HA . 30209 1 57 . 1 1 6 6 SER HB2 H 1 3.772 0.000 . . . . . A 6 SER HB2 . 30209 1 58 . 1 1 6 6 SER HB3 H 1 3.659 0.000 . . . . . A 6 SER HB3 . 30209 1 59 . 1 1 6 6 SER C C 13 172.185 0.000 . . . . . A 6 SER C . 30209 1 60 . 1 1 6 6 SER CA C 13 57.543 0.008 . . . . . A 6 SER CA . 30209 1 61 . 1 1 6 6 SER CB C 13 65.475 0.002 . . . . . A 6 SER CB . 30209 1 62 . 1 1 6 6 SER N N 15 114.257 0.000 . . . . . A 6 SER N . 30209 1 63 . 1 1 7 7 ILE H H 1 8.166 0.003 . . . . . A 7 ILE H . 30209 1 64 . 1 1 7 7 ILE HA H 1 4.196 0.000 . . . . . A 7 ILE HA . 30209 1 65 . 1 1 7 7 ILE HB H 1 1.694 0.001 . . . . . A 7 ILE HB . 30209 1 66 . 1 1 7 7 ILE HG12 H 1 1.341 0.001 . . . . . A 7 ILE HG12 . 30209 1 67 . 1 1 7 7 ILE HG13 H 1 0.961 0.001 . . . . . A 7 ILE HG13 . 30209 1 68 . 1 1 7 7 ILE HG21 H 1 0.747 0.000 . . . . . A 7 ILE HG21 . 30209 1 69 . 1 1 7 7 ILE HG22 H 1 0.747 0.000 . . . . . A 7 ILE HG22 . 30209 1 70 . 1 1 7 7 ILE HG23 H 1 0.747 0.000 . . . . . A 7 ILE HG23 . 30209 1 71 . 1 1 7 7 ILE HD11 H 1 0.746 0.000 . . . . . A 7 ILE HD11 . 30209 1 72 . 1 1 7 7 ILE HD12 H 1 0.746 0.000 . . . . . A 7 ILE HD12 . 30209 1 73 . 1 1 7 7 ILE HD13 H 1 0.746 0.000 . . . . . A 7 ILE HD13 . 30209 1 74 . 1 1 7 7 ILE CA C 13 61.345 0.004 . . . . . A 7 ILE CA . 30209 1 75 . 1 1 7 7 ILE CB C 13 39.671 0.004 . . . . . A 7 ILE CB . 30209 1 76 . 1 1 7 7 ILE CG1 C 13 27.182 0.024 . . . . . A 7 ILE CG1 . 30209 1 77 . 1 1 7 7 ILE CG2 C 13 17.442 0.001 . . . . . A 7 ILE CG2 . 30209 1 78 . 1 1 7 7 ILE CD1 C 13 12.537 0.006 . . . . . A 7 ILE CD1 . 30209 1 79 . 1 1 7 7 ILE N N 15 119.391 0.000 . . . . . A 7 ILE N . 30209 1 80 . 1 1 8 8 PRO HA H 1 4.985 0.000 . . . . . A 8 PRO HA . 30209 1 81 . 1 1 8 8 PRO HB2 H 1 1.918 0.000 . . . . . A 8 PRO HB2 . 30209 1 82 . 1 1 8 8 PRO HB3 H 1 2.341 0.000 . . . . . A 8 PRO HB3 . 30209 1 83 . 1 1 8 8 PRO HG2 H 1 1.733 0.000 . . . . . A 8 PRO HG2 . 30209 1 84 . 1 1 8 8 PRO HG3 H 1 1.843 0.000 . . . . . A 8 PRO HG3 . 30209 1 85 . 1 1 8 8 PRO HD2 H 1 3.415 0.000 . . . . . A 8 PRO HD2 . 30209 1 86 . 1 1 8 8 PRO HD3 H 1 3.499 0.000 . . . . . A 8 PRO HD3 . 30209 1 87 . 1 1 8 8 PRO CA C 13 61.969 0.001 . . . . . A 8 PRO CA . 30209 1 88 . 1 1 8 8 PRO CB C 13 33.395 0.001 . . . . . A 8 PRO CB . 30209 1 89 . 1 1 8 8 PRO CG C 13 24.898 0.000 . . . . . A 8 PRO CG . 30209 1 90 . 1 1 8 8 PRO CD C 13 50.477 0.000 . . . . . A 8 PRO CD . 30209 1 91 . 1 1 9 9 PRO HA H 1 4.113 0.000 . . . . . A 9 PRO HA . 30209 1 92 . 1 1 9 9 PRO HB2 H 1 2.322 0.004 . . . . . A 9 PRO HB2 . 30209 1 93 . 1 1 9 9 PRO HB3 H 1 2.322 0.004 . . . . . A 9 PRO HB3 . 30209 1 94 . 1 1 9 9 PRO HG2 H 1 1.993 0.001 . . . . . A 9 PRO HG2 . 30209 1 95 . 1 1 9 9 PRO HG3 H 1 1.718 0.000 . . . . . A 9 PRO HG3 . 30209 1 96 . 1 1 9 9 PRO HD2 H 1 3.710 0.001 . . . . . A 9 PRO HD2 . 30209 1 97 . 1 1 9 9 PRO HD3 H 1 3.593 0.001 . . . . . A 9 PRO HD3 . 30209 1 98 . 1 1 9 9 PRO C C 13 176.472 0.000 . . . . . A 9 PRO C . 30209 1 99 . 1 1 9 9 PRO CA C 13 63.302 0.005 . . . . . A 9 PRO CA . 30209 1 100 . 1 1 9 9 PRO CB C 13 32.383 0.003 . . . . . A 9 PRO CB . 30209 1 101 . 1 1 9 9 PRO CG C 13 27.205 0.001 . . . . . A 9 PRO CG . 30209 1 102 . 1 1 9 9 PRO CD C 13 50.786 0.000 . . . . . A 9 PRO CD . 30209 1 103 . 1 1 10 10 ILE H H 1 7.769 0.001 . . . . . A 10 ILE H . 30209 1 104 . 1 1 10 10 ILE HA H 1 4.073 0.001 . . . . . A 10 ILE HA . 30209 1 105 . 1 1 10 10 ILE HB H 1 1.690 0.000 . . . . . A 10 ILE HB . 30209 1 106 . 1 1 10 10 ILE HG12 H 1 1.309 0.001 . . . . . A 10 ILE HG12 . 30209 1 107 . 1 1 10 10 ILE HG13 H 1 0.924 0.001 . . . . . A 10 ILE HG13 . 30209 1 108 . 1 1 10 10 ILE HG21 H 1 0.490 0.001 . . . . . A 10 ILE HG21 . 30209 1 109 . 1 1 10 10 ILE HG22 H 1 0.490 0.001 . . . . . A 10 ILE HG22 . 30209 1 110 . 1 1 10 10 ILE HG23 H 1 0.490 0.001 . . . . . A 10 ILE HG23 . 30209 1 111 . 1 1 10 10 ILE HD11 H 1 0.669 0.000 . . . . . A 10 ILE HD11 . 30209 1 112 . 1 1 10 10 ILE HD12 H 1 0.669 0.000 . . . . . A 10 ILE HD12 . 30209 1 113 . 1 1 10 10 ILE HD13 H 1 0.669 0.000 . . . . . A 10 ILE HD13 . 30209 1 114 . 1 1 10 10 ILE C C 13 175.684 0.000 . . . . . A 10 ILE C . 30209 1 115 . 1 1 10 10 ILE CA C 13 60.513 0.005 . . . . . A 10 ILE CA . 30209 1 116 . 1 1 10 10 ILE CB C 13 38.400 0.030 . . . . . A 10 ILE CB . 30209 1 117 . 1 1 10 10 ILE CG1 C 13 27.068 0.004 . . . . . A 10 ILE CG1 . 30209 1 118 . 1 1 10 10 ILE CG2 C 13 17.450 0.002 . . . . . A 10 ILE CG2 . 30209 1 119 . 1 1 10 10 ILE CD1 C 13 12.645 0.000 . . . . . A 10 ILE CD1 . 30209 1 120 . 1 1 10 10 ILE N N 15 122.296 0.000 . . . . . A 10 ILE N . 30209 1 121 . 1 1 11 11 CYS H H 1 8.475 0.001 . . . . . A 11 CYS H . 30209 1 122 . 1 1 11 11 CYS HA H 1 5.211 0.000 . . . . . A 11 CYS HA . 30209 1 123 . 1 1 11 11 CYS HB2 H 1 2.763 0.001 . . . . . A 11 CYS HB2 . 30209 1 124 . 1 1 11 11 CYS HB3 H 1 2.763 0.001 . . . . . A 11 CYS HB3 . 30209 1 125 . 1 1 11 11 CYS C C 13 173.409 0.000 . . . . . A 11 CYS C . 30209 1 126 . 1 1 11 11 CYS CA C 13 55.033 0.009 . . . . . A 11 CYS CA . 30209 1 127 . 1 1 11 11 CYS CB C 13 46.367 0.026 . . . . . A 11 CYS CB . 30209 1 128 . 1 1 11 11 CYS N N 15 124.174 0.000 . . . . . A 11 CYS N . 30209 1 129 . 1 1 12 12 PHE H H 1 8.608 0.001 . . . . . A 12 PHE H . 30209 1 130 . 1 1 12 12 PHE HA H 1 4.820 0.000 . . . . . A 12 PHE HA . 30209 1 131 . 1 1 12 12 PHE HB2 H 1 3.152 0.000 . . . . . A 12 PHE HB2 . 30209 1 132 . 1 1 12 12 PHE HB3 H 1 2.766 0.000 . . . . . A 12 PHE HB3 . 30209 1 133 . 1 1 12 12 PHE HD1 H 1 7.189 0.000 . . . . . A 12 PHE HD1 . 30209 1 134 . 1 1 12 12 PHE HD2 H 1 7.189 0.000 . . . . . A 12 PHE HD2 . 30209 1 135 . 1 1 12 12 PHE HE1 H 1 7.158 0.000 . . . . . A 12 PHE HE1 . 30209 1 136 . 1 1 12 12 PHE HE2 H 1 7.158 0.000 . . . . . A 12 PHE HE2 . 30209 1 137 . 1 1 12 12 PHE CA C 13 55.789 0.000 . . . . . A 12 PHE CA . 30209 1 138 . 1 1 12 12 PHE CB C 13 39.690 0.001 . . . . . A 12 PHE CB . 30209 1 139 . 1 1 12 12 PHE CD2 C 13 132.052 0.015 . . . . . A 12 PHE CD2 . 30209 1 140 . 1 1 12 12 PHE CE1 C 13 131.711 0.004 . . . . . A 12 PHE CE1 . 30209 1 141 . 1 1 12 12 PHE N N 15 122.506 0.000 . . . . . A 12 PHE N . 30209 1 142 . 1 1 13 13 PRO HA H 1 4.415 0.001 . . . . . A 13 PRO HA . 30209 1 143 . 1 1 13 13 PRO HB2 H 1 2.254 0.000 . . . . . A 13 PRO HB2 . 30209 1 144 . 1 1 13 13 PRO HB3 H 1 2.254 0.000 . . . . . A 13 PRO HB3 . 30209 1 145 . 1 1 13 13 PRO HG2 H 1 2.011 0.001 . . . . . A 13 PRO HG2 . 30209 1 146 . 1 1 13 13 PRO HG3 H 1 1.911 0.000 . . . . . A 13 PRO HG3 . 30209 1 147 . 1 1 13 13 PRO HD2 H 1 3.796 0.001 . . . . . A 13 PRO HD2 . 30209 1 148 . 1 1 13 13 PRO HD3 H 1 3.714 0.001 . . . . . A 13 PRO HD3 . 30209 1 149 . 1 1 13 13 PRO C C 13 176.655 0.000 . . . . . A 13 PRO C . 30209 1 150 . 1 1 13 13 PRO CA C 13 63.309 0.001 . . . . . A 13 PRO CA . 30209 1 151 . 1 1 13 13 PRO CB C 13 32.224 0.003 . . . . . A 13 PRO CB . 30209 1 152 . 1 1 13 13 PRO CG C 13 27.432 0.005 . . . . . A 13 PRO CG . 30209 1 153 . 1 1 13 13 PRO CD C 13 50.919 0.015 . . . . . A 13 PRO CD . 30209 1 154 . 1 1 14 14 ASP H H 1 8.454 0.001 . . . . . A 14 ASP H . 30209 1 155 . 1 1 14 14 ASP HA H 1 4.521 0.000 . . . . . A 14 ASP HA . 30209 1 156 . 1 1 14 14 ASP HB2 H 1 2.647 0.000 . . . . . A 14 ASP HB2 . 30209 1 157 . 1 1 14 14 ASP HB3 H 1 2.547 0.001 . . . . . A 14 ASP HB3 . 30209 1 158 . 1 1 14 14 ASP C C 13 176.746 0.000 . . . . . A 14 ASP C . 30209 1 159 . 1 1 14 14 ASP CA C 13 54.650 0.006 . . . . . A 14 ASP CA . 30209 1 160 . 1 1 14 14 ASP CB C 13 41.314 0.003 . . . . . A 14 ASP CB . 30209 1 161 . 1 1 14 14 ASP N N 15 120.162 0.000 . . . . . A 14 ASP N . 30209 1 162 . 1 1 15 15 GLY H H 1 8.315 0.001 . . . . . A 15 GLY H . 30209 1 163 . 1 1 15 15 GLY HA2 H 1 3.903 0.000 . . . . . A 15 GLY HA2 . 30209 1 164 . 1 1 15 15 GLY HA3 H 1 3.903 0.000 . . . . . A 15 GLY HA3 . 30209 1 165 . 1 1 15 15 GLY C C 13 174.174 0.000 . . . . . A 15 GLY C . 30209 1 166 . 1 1 15 15 GLY CA C 13 45.637 0.015 . . . . . A 15 GLY CA . 30209 1 167 . 1 1 15 15 GLY N N 15 108.586 0.000 . . . . . A 15 GLY N . 30209 1 168 . 1 1 16 16 LEU H H 1 8.056 0.001 . . . . . A 16 LEU H . 30209 1 169 . 1 1 16 16 LEU HA H 1 4.264 0.000 . . . . . A 16 LEU HA . 30209 1 170 . 1 1 16 16 LEU HB2 H 1 1.520 0.000 . . . . . A 16 LEU HB2 . 30209 1 171 . 1 1 16 16 LEU HB3 H 1 1.520 0.000 . . . . . A 16 LEU HB3 . 30209 1 172 . 1 1 16 16 LEU HG H 1 1.487 0.000 . . . . . A 16 LEU HG . 30209 1 173 . 1 1 16 16 LEU HD11 H 1 0.755 0.000 . . . . . A 16 LEU HD11 . 30209 1 174 . 1 1 16 16 LEU HD12 H 1 0.755 0.000 . . . . . A 16 LEU HD12 . 30209 1 175 . 1 1 16 16 LEU HD13 H 1 0.755 0.000 . . . . . A 16 LEU HD13 . 30209 1 176 . 1 1 16 16 LEU HD21 H 1 0.829 0.000 . . . . . A 16 LEU HD21 . 30209 1 177 . 1 1 16 16 LEU HD22 H 1 0.829 0.000 . . . . . A 16 LEU HD22 . 30209 1 178 . 1 1 16 16 LEU HD23 H 1 0.829 0.000 . . . . . A 16 LEU HD23 . 30209 1 179 . 1 1 16 16 LEU C C 13 177.046 0.000 . . . . . A 16 LEU C . 30209 1 180 . 1 1 16 16 LEU CA C 13 55.189 0.001 . . . . . A 16 LEU CA . 30209 1 181 . 1 1 16 16 LEU CB C 13 42.385 0.002 . . . . . A 16 LEU CB . 30209 1 182 . 1 1 16 16 LEU CG C 13 27.068 0.002 . . . . . A 16 LEU CG . 30209 1 183 . 1 1 16 16 LEU CD1 C 13 23.564 0.001 . . . . . A 16 LEU CD1 . 30209 1 184 . 1 1 16 16 LEU CD2 C 13 25.006 0.005 . . . . . A 16 LEU CD2 . 30209 1 185 . 1 1 16 16 LEU N N 15 121.122 0.000 . . . . . A 16 LEU N . 30209 1 186 . 1 1 17 17 ASP H H 1 8.269 0.001 . . . . . A 17 ASP H . 30209 1 187 . 1 1 17 17 ASP HA H 1 4.452 0.000 . . . . . A 17 ASP HA . 30209 1 188 . 1 1 17 17 ASP HB2 H 1 2.610 0.000 . . . . . A 17 ASP HB2 . 30209 1 189 . 1 1 17 17 ASP HB3 H 1 2.499 0.016 . . . . . A 17 ASP HB3 . 30209 1 190 . 1 1 17 17 ASP C C 13 175.326 0.000 . . . . . A 17 ASP C . 30209 1 191 . 1 1 17 17 ASP CA C 13 54.162 0.002 . . . . . A 17 ASP CA . 30209 1 192 . 1 1 17 17 ASP CB C 13 40.767 0.001 . . . . . A 17 ASP CB . 30209 1 193 . 1 1 17 17 ASP N N 15 120.161 0.001 . . . . . A 17 ASP N . 30209 1 194 . 1 1 18 18 ASN H H 1 8.181 0.001 . . . . . A 18 ASN H . 30209 1 195 . 1 1 18 18 ASN HA H 1 3.627 0.000 . . . . . A 18 ASN HA . 30209 1 196 . 1 1 18 18 ASN HB2 H 1 2.542 0.000 . . . . . A 18 ASN HB2 . 30209 1 197 . 1 1 18 18 ASN HB3 H 1 2.737 0.000 . . . . . A 18 ASN HB3 . 30209 1 198 . 1 1 18 18 ASN CA C 13 51.461 0.008 . . . . . A 18 ASN CA . 30209 1 199 . 1 1 18 18 ASN CB C 13 38.860 0.003 . . . . . A 18 ASN CB . 30209 1 200 . 1 1 18 18 ASN N N 15 118.813 0.000 . . . . . A 18 ASN N . 30209 1 201 . 1 1 19 19 PRO HA H 1 4.311 0.001 . . . . . A 19 PRO HA . 30209 1 202 . 1 1 19 19 PRO HB2 H 1 2.170 0.001 . . . . . A 19 PRO HB2 . 30209 1 203 . 1 1 19 19 PRO HB3 H 1 2.170 0.001 . . . . . A 19 PRO HB3 . 30209 1 204 . 1 1 19 19 PRO HG2 H 1 1.944 0.000 . . . . . A 19 PRO HG2 . 30209 1 205 . 1 1 19 19 PRO HG3 H 1 1.846 0.000 . . . . . A 19 PRO HG3 . 30209 1 206 . 1 1 19 19 PRO HD2 H 1 3.611 0.007 . . . . . A 19 PRO HD2 . 30209 1 207 . 1 1 19 19 PRO HD3 H 1 3.611 0.007 . . . . . A 19 PRO HD3 . 30209 1 208 . 1 1 19 19 PRO C C 13 177.343 0.000 . . . . . A 19 PRO C . 30209 1 209 . 1 1 19 19 PRO CA C 13 63.861 0.002 . . . . . A 19 PRO CA . 30209 1 210 . 1 1 19 19 PRO CB C 13 31.997 0.012 . . . . . A 19 PRO CB . 30209 1 211 . 1 1 19 19 PRO CG C 13 27.368 0.002 . . . . . A 19 PRO CG . 30209 1 212 . 1 1 19 19 PRO CD C 13 50.851 0.001 . . . . . A 19 PRO CD . 30209 1 213 . 1 1 20 20 ARG H H 1 8.275 0.002 . . . . . A 20 ARG H . 30209 1 214 . 1 1 20 20 ARG HA H 1 4.208 0.000 . . . . . A 20 ARG HA . 30209 1 215 . 1 1 20 20 ARG HB2 H 1 1.801 0.000 . . . . . A 20 ARG HB2 . 30209 1 216 . 1 1 20 20 ARG HB3 H 1 1.707 0.000 . . . . . A 20 ARG HB3 . 30209 1 217 . 1 1 20 20 ARG HG2 H 1 1.555 0.000 . . . . . A 20 ARG HG2 . 30209 1 218 . 1 1 20 20 ARG HG3 H 1 1.555 0.000 . . . . . A 20 ARG HG3 . 30209 1 219 . 1 1 20 20 ARG HD2 H 1 3.111 0.000 . . . . . A 20 ARG HD2 . 30209 1 220 . 1 1 20 20 ARG HD3 H 1 3.111 0.000 . . . . . A 20 ARG HD3 . 30209 1 221 . 1 1 20 20 ARG C C 13 176.943 0.000 . . . . . A 20 ARG C . 30209 1 222 . 1 1 20 20 ARG CA C 13 56.333 0.002 . . . . . A 20 ARG CA . 30209 1 223 . 1 1 20 20 ARG CB C 13 30.482 0.004 . . . . . A 20 ARG CB . 30209 1 224 . 1 1 20 20 ARG CG C 13 27.356 0.001 . . . . . A 20 ARG CG . 30209 1 225 . 1 1 20 20 ARG CD C 13 43.466 0.001 . . . . . A 20 ARG CD . 30209 1 226 . 1 1 20 20 ARG N N 15 119.529 0.001 . . . . . A 20 ARG N . 30209 1 227 . 1 1 21 21 GLY H H 1 8.092 0.001 . . . . . A 21 GLY H . 30209 1 228 . 1 1 21 21 GLY HA2 H 1 3.826 0.000 . . . . . A 21 GLY HA2 . 30209 1 229 . 1 1 21 21 GLY HA3 H 1 3.880 0.001 . . . . . A 21 GLY HA3 . 30209 1 230 . 1 1 21 21 GLY C C 13 174.447 0.000 . . . . . A 21 GLY C . 30209 1 231 . 1 1 21 21 GLY CA C 13 45.431 0.002 . . . . . A 21 GLY CA . 30209 1 232 . 1 1 21 21 GLY N N 15 108.432 0.000 . . . . . A 21 GLY N . 30209 1 233 . 1 1 22 22 CYS H H 1 8.285 0.002 . . . . . A 22 CYS H . 30209 1 234 . 1 1 22 22 CYS HA H 1 4.534 0.000 . . . . . A 22 CYS HA . 30209 1 235 . 1 1 22 22 CYS HB2 H 1 2.892 0.000 . . . . . A 22 CYS HB2 . 30209 1 236 . 1 1 22 22 CYS HB3 H 1 2.674 0.000 . . . . . A 22 CYS HB3 . 30209 1 237 . 1 1 22 22 CYS C C 13 174.435 0.000 . . . . . A 22 CYS C . 30209 1 238 . 1 1 22 22 CYS CA C 13 55.683 0.002 . . . . . A 22 CYS CA . 30209 1 239 . 1 1 22 22 CYS CB C 13 40.877 0.007 . . . . . A 22 CYS CB . 30209 1 240 . 1 1 22 22 CYS N N 15 118.023 0.005 . . . . . A 22 CYS N . 30209 1 241 . 1 1 23 23 GLN H H 1 8.830 0.002 . . . . . A 23 GLN H . 30209 1 242 . 1 1 23 23 GLN HA H 1 4.383 0.000 . . . . . A 23 GLN HA . 30209 1 243 . 1 1 23 23 GLN HB2 H 1 1.906 0.000 . . . . . A 23 GLN HB2 . 30209 1 244 . 1 1 23 23 GLN HB3 H 1 1.906 0.000 . . . . . A 23 GLN HB3 . 30209 1 245 . 1 1 23 23 GLN HG2 H 1 2.234 0.000 . . . . . A 23 GLN HG2 . 30209 1 246 . 1 1 23 23 GLN HG3 H 1 2.141 0.000 . . . . . A 23 GLN HG3 . 30209 1 247 . 1 1 23 23 GLN C C 13 174.636 0.000 . . . . . A 23 GLN C . 30209 1 248 . 1 1 23 23 GLN CA C 13 55.156 0.005 . . . . . A 23 GLN CA . 30209 1 249 . 1 1 23 23 GLN CB C 13 28.585 0.002 . . . . . A 23 GLN CB . 30209 1 250 . 1 1 23 23 GLN CG C 13 33.689 0.000 . . . . . A 23 GLN CG . 30209 1 251 . 1 1 23 23 GLN N N 15 124.616 0.000 . . . . . A 23 GLN N . 30209 1 252 . 1 1 24 24 ILE H H 1 8.386 0.002 . . . . . A 24 ILE H . 30209 1 253 . 1 1 24 24 ILE HA H 1 4.070 0.000 . . . . . A 24 ILE HA . 30209 1 254 . 1 1 24 24 ILE HB H 1 1.800 0.000 . . . . . A 24 ILE HB . 30209 1 255 . 1 1 24 24 ILE HG12 H 1 1.113 0.000 . . . . . A 24 ILE HG12 . 30209 1 256 . 1 1 24 24 ILE HG13 H 1 1.170 0.000 . . . . . A 24 ILE HG13 . 30209 1 257 . 1 1 24 24 ILE HG21 H 1 0.639 0.001 . . . . . A 24 ILE HG21 . 30209 1 258 . 1 1 24 24 ILE HG22 H 1 0.639 0.001 . . . . . A 24 ILE HG22 . 30209 1 259 . 1 1 24 24 ILE HG23 H 1 0.639 0.001 . . . . . A 24 ILE HG23 . 30209 1 260 . 1 1 24 24 ILE HD11 H 1 0.645 0.000 . . . . . A 24 ILE HD11 . 30209 1 261 . 1 1 24 24 ILE HD12 H 1 0.645 0.000 . . . . . A 24 ILE HD12 . 30209 1 262 . 1 1 24 24 ILE HD13 H 1 0.645 0.000 . . . . . A 24 ILE HD13 . 30209 1 263 . 1 1 24 24 ILE C C 13 175.842 0.000 . . . . . A 24 ILE C . 30209 1 264 . 1 1 24 24 ILE CA C 13 59.106 0.003 . . . . . A 24 ILE CA . 30209 1 265 . 1 1 24 24 ILE CB C 13 38.341 0.003 . . . . . A 24 ILE CB . 30209 1 266 . 1 1 24 24 ILE CG1 C 13 27.505 0.005 . . . . . A 24 ILE CG1 . 30209 1 267 . 1 1 24 24 ILE CG2 C 13 17.988 0.001 . . . . . A 24 ILE CG2 . 30209 1 268 . 1 1 24 24 ILE CD1 C 13 11.916 0.000 . . . . . A 24 ILE CD1 . 30209 1 269 . 1 1 24 24 ILE N N 15 124.498 0.001 . . . . . A 24 ILE N . 30209 1 270 . 1 1 25 25 ARG H H 1 8.843 0.003 . . . . . A 25 ARG H . 30209 1 271 . 1 1 25 25 ARG HA H 1 4.496 0.000 . . . . . A 25 ARG HA . 30209 1 272 . 1 1 25 25 ARG HB2 H 1 1.720 0.000 . . . . . A 25 ARG HB2 . 30209 1 273 . 1 1 25 25 ARG HB3 H 1 1.720 0.000 . . . . . A 25 ARG HB3 . 30209 1 274 . 1 1 25 25 ARG HG2 H 1 1.581 0.000 . . . . . A 25 ARG HG2 . 30209 1 275 . 1 1 25 25 ARG HG3 H 1 1.514 0.000 . . . . . A 25 ARG HG3 . 30209 1 276 . 1 1 25 25 ARG HD2 H 1 3.112 0.001 . . . . . A 25 ARG HD2 . 30209 1 277 . 1 1 25 25 ARG HD3 H 1 3.112 0.001 . . . . . A 25 ARG HD3 . 30209 1 278 . 1 1 25 25 ARG C C 13 177.063 0.000 . . . . . A 25 ARG C . 30209 1 279 . 1 1 25 25 ARG CA C 13 54.645 0.002 . . . . . A 25 ARG CA . 30209 1 280 . 1 1 25 25 ARG CB C 13 29.428 0.000 . . . . . A 25 ARG CB . 30209 1 281 . 1 1 25 25 ARG CG C 13 27.062 0.002 . . . . . A 25 ARG CG . 30209 1 282 . 1 1 25 25 ARG CD C 13 43.471 0.001 . . . . . A 25 ARG CD . 30209 1 283 . 1 1 25 25 ARG N N 15 128.364 0.002 . . . . . A 25 ARG N . 30209 1 284 . 1 1 26 26 ILE H H 1 8.459 0.003 . . . . . A 26 ILE H . 30209 1 285 . 1 1 26 26 ILE HA H 1 3.619 0.000 . . . . . A 26 ILE HA . 30209 1 286 . 1 1 26 26 ILE HB H 1 1.788 0.005 . . . . . A 26 ILE HB . 30209 1 287 . 1 1 26 26 ILE HG12 H 1 1.218 0.001 . . . . . A 26 ILE HG12 . 30209 1 288 . 1 1 26 26 ILE HG13 H 1 1.280 0.000 . . . . . A 26 ILE HG13 . 30209 1 289 . 1 1 26 26 ILE HG21 H 1 0.805 0.001 . . . . . A 26 ILE HG21 . 30209 1 290 . 1 1 26 26 ILE HG22 H 1 0.805 0.001 . . . . . A 26 ILE HG22 . 30209 1 291 . 1 1 26 26 ILE HG23 H 1 0.805 0.001 . . . . . A 26 ILE HG23 . 30209 1 292 . 1 1 26 26 ILE HD11 H 1 0.678 0.000 . . . . . A 26 ILE HD11 . 30209 1 293 . 1 1 26 26 ILE HD12 H 1 0.678 0.000 . . . . . A 26 ILE HD12 . 30209 1 294 . 1 1 26 26 ILE HD13 H 1 0.678 0.000 . . . . . A 26 ILE HD13 . 30209 1 295 . 1 1 26 26 ILE C C 13 177.926 0.000 . . . . . A 26 ILE C . 30209 1 296 . 1 1 26 26 ILE CA C 13 63.306 0.003 . . . . . A 26 ILE CA . 30209 1 297 . 1 1 26 26 ILE CB C 13 38.018 0.003 . . . . . A 26 ILE CB . 30209 1 298 . 1 1 26 26 ILE CG1 C 13 28.471 0.007 . . . . . A 26 ILE CG1 . 30209 1 299 . 1 1 26 26 ILE CG2 C 13 18.240 0.004 . . . . . A 26 ILE CG2 . 30209 1 300 . 1 1 26 26 ILE CD1 C 13 13.555 0.004 . . . . . A 26 ILE CD1 . 30209 1 301 . 1 1 26 26 ILE N N 15 125.485 0.000 . . . . . A 26 ILE N . 30209 1 302 . 1 1 27 27 GLN H H 1 9.030 0.004 . . . . . A 27 GLN H . 30209 1 303 . 1 1 27 27 GLN HA H 1 3.989 0.000 . . . . . A 27 GLN HA . 30209 1 304 . 1 1 27 27 GLN HB2 H 1 1.958 0.000 . . . . . A 27 GLN HB2 . 30209 1 305 . 1 1 27 27 GLN HB3 H 1 1.958 0.000 . . . . . A 27 GLN HB3 . 30209 1 306 . 1 1 27 27 GLN HG2 H 1 2.388 0.000 . . . . . A 27 GLN HG2 . 30209 1 307 . 1 1 27 27 GLN HG3 H 1 2.388 0.000 . . . . . A 27 GLN HG3 . 30209 1 308 . 1 1 27 27 GLN C C 13 177.604 0.000 . . . . . A 27 GLN C . 30209 1 309 . 1 1 27 27 GLN CA C 13 58.918 0.001 . . . . . A 27 GLN CA . 30209 1 310 . 1 1 27 27 GLN CB C 13 27.710 0.030 . . . . . A 27 GLN CB . 30209 1 311 . 1 1 27 27 GLN CG C 13 34.098 0.000 . . . . . A 27 GLN CG . 30209 1 312 . 1 1 27 27 GLN N N 15 121.643 0.000 . . . . . A 27 GLN N . 30209 1 313 . 1 1 28 28 GLN H H 1 7.599 0.000 . . . . . A 28 GLN H . 30209 1 314 . 1 1 28 28 GLN HA H 1 4.316 0.000 . . . . . A 28 GLN HA . 30209 1 315 . 1 1 28 28 GLN HB2 H 1 2.047 0.000 . . . . . A 28 GLN HB2 . 30209 1 316 . 1 1 28 28 GLN HB3 H 1 2.047 0.000 . . . . . A 28 GLN HB3 . 30209 1 317 . 1 1 28 28 GLN HG2 H 1 2.400 0.000 . . . . . A 28 GLN HG2 . 30209 1 318 . 1 1 28 28 GLN HG3 H 1 2.266 0.000 . . . . . A 28 GLN HG3 . 30209 1 319 . 1 1 28 28 GLN C C 13 174.804 0.000 . . . . . A 28 GLN C . 30209 1 320 . 1 1 28 28 GLN CA C 13 56.107 0.004 . . . . . A 28 GLN CA . 30209 1 321 . 1 1 28 28 GLN CB C 13 28.253 0.004 . . . . . A 28 GLN CB . 30209 1 322 . 1 1 28 28 GLN CG C 13 34.945 0.001 . . . . . A 28 GLN CG . 30209 1 323 . 1 1 28 28 GLN N N 15 115.692 0.000 . . . . . A 28 GLN N . 30209 1 324 . 1 1 29 29 LEU H H 1 7.431 0.001 . . . . . A 29 LEU H . 30209 1 325 . 1 1 29 29 LEU HA H 1 4.619 0.000 . . . . . A 29 LEU HA . 30209 1 326 . 1 1 29 29 LEU HB2 H 1 1.471 0.000 . . . . . A 29 LEU HB2 . 30209 1 327 . 1 1 29 29 LEU HB3 H 1 1.471 0.000 . . . . . A 29 LEU HB3 . 30209 1 328 . 1 1 29 29 LEU HG H 1 0.667 0.004 . . . . . A 29 LEU HG . 30209 1 329 . 1 1 29 29 LEU HD11 H 1 0.675 0.000 . . . . . A 29 LEU HD11 . 30209 1 330 . 1 1 29 29 LEU HD12 H 1 0.675 0.000 . . . . . A 29 LEU HD12 . 30209 1 331 . 1 1 29 29 LEU HD13 H 1 0.675 0.000 . . . . . A 29 LEU HD13 . 30209 1 332 . 1 1 29 29 LEU C C 13 178.910 0.000 . . . . . A 29 LEU C . 30209 1 333 . 1 1 29 29 LEU CA C 13 53.507 0.002 . . . . . A 29 LEU CA . 30209 1 334 . 1 1 29 29 LEU CB C 13 42.673 0.002 . . . . . A 29 LEU CB . 30209 1 335 . 1 1 29 29 LEU CG C 13 27.291 0.000 . . . . . A 29 LEU CG . 30209 1 336 . 1 1 29 29 LEU CD1 C 13 23.963 0.000 . . . . . A 29 LEU CD1 . 30209 1 337 . 1 1 29 29 LEU N N 15 118.941 0.000 . . . . . A 29 LEU N . 30209 1 338 . 1 1 30 30 ASN H H 1 7.899 0.001 . . . . . A 30 ASN H . 30209 1 339 . 1 1 30 30 ASN HA H 1 4.340 0.006 . . . . . A 30 ASN HA . 30209 1 340 . 1 1 30 30 ASN HB2 H 1 2.742 0.000 . . . . . A 30 ASN HB2 . 30209 1 341 . 1 1 30 30 ASN HB3 H 1 2.659 0.001 . . . . . A 30 ASN HB3 . 30209 1 342 . 1 1 30 30 ASN C C 13 177.708 0.000 . . . . . A 30 ASN C . 30209 1 343 . 1 1 30 30 ASN CA C 13 57.551 0.002 . . . . . A 30 ASN CA . 30209 1 344 . 1 1 30 30 ASN CB C 13 36.596 0.001 . . . . . A 30 ASN CB . 30209 1 345 . 1 1 30 30 ASN N N 15 119.688 0.000 . . . . . A 30 ASN N . 30209 1 346 . 1 1 31 31 HIS H H 1 9.584 0.005 . . . . . A 31 HIS H . 30209 1 347 . 1 1 31 31 HIS HA H 1 4.260 0.000 . . . . . A 31 HIS HA . 30209 1 348 . 1 1 31 31 HIS HB2 H 1 3.289 0.000 . . . . . A 31 HIS HB2 . 30209 1 349 . 1 1 31 31 HIS HB3 H 1 2.798 0.001 . . . . . A 31 HIS HB3 . 30209 1 350 . 1 1 31 31 HIS HD2 H 1 6.515 0.000 . . . . . A 31 HIS HD2 . 30209 1 351 . 1 1 31 31 HIS HE1 H 1 7.897 0.001 . . . . . A 31 HIS HE1 . 30209 1 352 . 1 1 31 31 HIS C C 13 178.523 0.000 . . . . . A 31 HIS C . 30209 1 353 . 1 1 31 31 HIS CA C 13 61.218 0.004 . . . . . A 31 HIS CA . 30209 1 354 . 1 1 31 31 HIS CB C 13 28.762 0.009 . . . . . A 31 HIS CB . 30209 1 355 . 1 1 31 31 HIS CD2 C 13 116.271 0.011 . . . . . A 31 HIS CD2 . 30209 1 356 . 1 1 31 31 HIS CE1 C 13 139.872 0.003 . . . . . A 31 HIS CE1 . 30209 1 357 . 1 1 31 31 HIS N N 15 120.161 0.000 . . . . . A 31 HIS N . 30209 1 358 . 1 1 32 32 CYS H H 1 7.703 0.001 . . . . . A 32 CYS H . 30209 1 359 . 1 1 32 32 CYS HA H 1 4.616 0.001 . . . . . A 32 CYS HA . 30209 1 360 . 1 1 32 32 CYS HB2 H 1 3.268 0.000 . . . . . A 32 CYS HB2 . 30209 1 361 . 1 1 32 32 CYS HB3 H 1 2.793 0.001 . . . . . A 32 CYS HB3 . 30209 1 362 . 1 1 32 32 CYS C C 13 175.981 0.000 . . . . . A 32 CYS C . 30209 1 363 . 1 1 32 32 CYS CA C 13 56.861 0.002 . . . . . A 32 CYS CA . 30209 1 364 . 1 1 32 32 CYS CB C 13 39.048 0.006 . . . . . A 32 CYS CB . 30209 1 365 . 1 1 32 32 CYS N N 15 118.285 0.000 . . . . . A 32 CYS N . 30209 1 366 . 1 1 33 33 GLN H H 1 7.694 0.001 . . . . . A 33 GLN H . 30209 1 367 . 1 1 33 33 GLN HA H 1 3.577 0.000 . . . . . A 33 GLN HA . 30209 1 368 . 1 1 33 33 GLN HB2 H 1 1.958 0.000 . . . . . A 33 GLN HB2 . 30209 1 369 . 1 1 33 33 GLN HB3 H 1 1.958 0.000 . . . . . A 33 GLN HB3 . 30209 1 370 . 1 1 33 33 GLN HG2 H 1 2.208 0.000 . . . . . A 33 GLN HG2 . 30209 1 371 . 1 1 33 33 GLN HG3 H 1 2.106 0.000 . . . . . A 33 GLN HG3 . 30209 1 372 . 1 1 33 33 GLN C C 13 178.344 0.000 . . . . . A 33 GLN C . 30209 1 373 . 1 1 33 33 GLN CA C 13 60.754 0.002 . . . . . A 33 GLN CA . 30209 1 374 . 1 1 33 33 GLN CB C 13 27.957 0.006 . . . . . A 33 GLN CB . 30209 1 375 . 1 1 33 33 GLN CG C 13 33.786 0.002 . . . . . A 33 GLN CG . 30209 1 376 . 1 1 33 33 GLN N N 15 121.723 0.000 . . . . . A 33 GLN N . 30209 1 377 . 1 1 34 34 MET H H 1 7.999 0.001 . . . . . A 34 MET H . 30209 1 378 . 1 1 34 34 MET HA H 1 4.052 0.000 . . . . . A 34 MET HA . 30209 1 379 . 1 1 34 34 MET HB2 H 1 2.005 0.000 . . . . . A 34 MET HB2 . 30209 1 380 . 1 1 34 34 MET HB3 H 1 2.109 0.001 . . . . . A 34 MET HB3 . 30209 1 381 . 1 1 34 34 MET HG2 H 1 2.346 0.000 . . . . . A 34 MET HG2 . 30209 1 382 . 1 1 34 34 MET HG3 H 1 2.454 0.000 . . . . . A 34 MET HG3 . 30209 1 383 . 1 1 34 34 MET C C 13 179.205 0.000 . . . . . A 34 MET C . 30209 1 384 . 1 1 34 34 MET CA C 13 59.220 0.027 . . . . . A 34 MET CA . 30209 1 385 . 1 1 34 34 MET CB C 13 28.028 0.024 . . . . . A 34 MET CB . 30209 1 386 . 1 1 34 34 MET CG C 13 34.110 0.000 . . . . . A 34 MET CG . 30209 1 387 . 1 1 34 34 MET N N 15 117.461 0.009 . . . . . A 34 MET N . 30209 1 388 . 1 1 35 35 HIS H H 1 7.725 0.003 . . . . . A 35 HIS H . 30209 1 389 . 1 1 35 35 HIS HA H 1 4.375 0.003 . . . . . A 35 HIS HA . 30209 1 390 . 1 1 35 35 HIS HB2 H 1 3.247 0.010 . . . . . A 35 HIS HB2 . 30209 1 391 . 1 1 35 35 HIS HB3 H 1 3.020 0.000 . . . . . A 35 HIS HB3 . 30209 1 392 . 1 1 35 35 HIS HD2 H 1 7.011 0.000 . . . . . A 35 HIS HD2 . 30209 1 393 . 1 1 35 35 HIS HE1 H 1 8.316 0.000 . . . . . A 35 HIS HE1 . 30209 1 394 . 1 1 35 35 HIS C C 13 176.743 0.000 . . . . . A 35 HIS C . 30209 1 395 . 1 1 35 35 HIS CA C 13 59.716 0.002 . . . . . A 35 HIS CA . 30209 1 396 . 1 1 35 35 HIS CB C 13 31.349 0.049 . . . . . A 35 HIS CB . 30209 1 397 . 1 1 35 35 HIS CD2 C 13 119.941 0.006 . . . . . A 35 HIS CD2 . 30209 1 398 . 1 1 35 35 HIS CE1 C 13 138.717 0.016 . . . . . A 35 HIS CE1 . 30209 1 399 . 1 1 35 35 HIS N N 15 117.816 0.001 . . . . . A 35 HIS N . 30209 1 400 . 1 1 36 36 LEU H H 1 7.721 0.001 . . . . . A 36 LEU H . 30209 1 401 . 1 1 36 36 LEU HA H 1 3.732 0.000 . . . . . A 36 LEU HA . 30209 1 402 . 1 1 36 36 LEU HB2 H 1 1.760 0.000 . . . . . A 36 LEU HB2 . 30209 1 403 . 1 1 36 36 LEU HB3 H 1 1.334 0.000 . . . . . A 36 LEU HB3 . 30209 1 404 . 1 1 36 36 LEU HG H 1 0.735 0.000 . . . . . A 36 LEU HG . 30209 1 405 . 1 1 36 36 LEU HD11 H 1 0.748 0.000 . . . . . A 36 LEU HD11 . 30209 1 406 . 1 1 36 36 LEU HD12 H 1 0.748 0.000 . . . . . A 36 LEU HD12 . 30209 1 407 . 1 1 36 36 LEU HD13 H 1 0.748 0.000 . . . . . A 36 LEU HD13 . 30209 1 408 . 1 1 36 36 LEU HD21 H 1 0.748 0.000 . . . . . A 36 LEU HD21 . 30209 1 409 . 1 1 36 36 LEU HD22 H 1 0.748 0.000 . . . . . A 36 LEU HD22 . 30209 1 410 . 1 1 36 36 LEU HD23 H 1 0.748 0.000 . . . . . A 36 LEU HD23 . 30209 1 411 . 1 1 36 36 LEU C C 13 177.041 0.000 . . . . . A 36 LEU C . 30209 1 412 . 1 1 36 36 LEU CA C 13 56.978 0.007 . . . . . A 36 LEU CA . 30209 1 413 . 1 1 36 36 LEU CB C 13 41.926 0.003 . . . . . A 36 LEU CB . 30209 1 414 . 1 1 36 36 LEU CG C 13 26.451 0.001 . . . . . A 36 LEU CG . 30209 1 415 . 1 1 36 36 LEU CD1 C 13 22.933 0.001 . . . . . A 36 LEU CD1 . 30209 1 416 . 1 1 36 36 LEU CD2 C 13 22.933 0.001 . . . . . A 36 LEU CD2 . 30209 1 417 . 1 1 36 36 LEU N N 15 114.456 0.000 . . . . . A 36 LEU N . 30209 1 418 . 1 1 37 37 THR H H 1 7.419 0.001 . . . . . A 37 THR H . 30209 1 419 . 1 1 37 37 THR HA H 1 4.203 0.001 . . . . . A 37 THR HA . 30209 1 420 . 1 1 37 37 THR HB H 1 4.316 0.001 . . . . . A 37 THR HB . 30209 1 421 . 1 1 37 37 THR HG21 H 1 1.101 0.000 . . . . . A 37 THR HG21 . 30209 1 422 . 1 1 37 37 THR HG22 H 1 1.101 0.000 . . . . . A 37 THR HG22 . 30209 1 423 . 1 1 37 37 THR HG23 H 1 1.101 0.000 . . . . . A 37 THR HG23 . 30209 1 424 . 1 1 37 37 THR C C 13 174.009 0.000 . . . . . A 37 THR C . 30209 1 425 . 1 1 37 37 THR CA C 13 61.523 0.025 . . . . . A 37 THR CA . 30209 1 426 . 1 1 37 37 THR CB C 13 69.680 0.080 . . . . . A 37 THR CB . 30209 1 427 . 1 1 37 37 THR CG2 C 13 21.475 0.001 . . . . . A 37 THR CG2 . 30209 1 428 . 1 1 37 37 THR N N 15 104.649 0.000 . . . . . A 37 THR N . 30209 1 429 . 1 1 38 38 SER H H 1 7.043 0.001 . . . . . A 38 SER H . 30209 1 430 . 1 1 38 38 SER HA H 1 4.291 0.001 . . . . . A 38 SER HA . 30209 1 431 . 1 1 38 38 SER HB2 H 1 3.806 0.001 . . . . . A 38 SER HB2 . 30209 1 432 . 1 1 38 38 SER HB3 H 1 3.806 0.001 . . . . . A 38 SER HB3 . 30209 1 433 . 1 1 38 38 SER C C 13 173.593 0.000 . . . . . A 38 SER C . 30209 1 434 . 1 1 38 38 SER CA C 13 58.406 0.006 . . . . . A 38 SER CA . 30209 1 435 . 1 1 38 38 SER CB C 13 63.563 0.004 . . . . . A 38 SER CB . 30209 1 436 . 1 1 38 38 SER N N 15 116.668 0.000 . . . . . A 38 SER N . 30209 1 437 . 1 1 39 39 PHE H H 1 8.008 0.000 . . . . . A 39 PHE H . 30209 1 438 . 1 1 39 39 PHE HA H 1 4.479 0.001 . . . . . A 39 PHE HA . 30209 1 439 . 1 1 39 39 PHE HB2 H 1 2.840 0.001 . . . . . A 39 PHE HB2 . 30209 1 440 . 1 1 39 39 PHE HB3 H 1 2.702 0.000 . . . . . A 39 PHE HB3 . 30209 1 441 . 1 1 39 39 PHE HD1 H 1 6.974 0.000 . . . . . A 39 PHE HD1 . 30209 1 442 . 1 1 39 39 PHE HD2 H 1 6.974 0.000 . . . . . A 39 PHE HD2 . 30209 1 443 . 1 1 39 39 PHE HE1 H 1 7.082 0.001 . . . . . A 39 PHE HE1 . 30209 1 444 . 1 1 39 39 PHE HE2 H 1 7.082 0.001 . . . . . A 39 PHE HE2 . 30209 1 445 . 1 1 39 39 PHE C C 13 174.710 0.000 . . . . . A 39 PHE C . 30209 1 446 . 1 1 39 39 PHE CA C 13 57.373 0.004 . . . . . A 39 PHE CA . 30209 1 447 . 1 1 39 39 PHE CB C 13 40.197 0.018 . . . . . A 39 PHE CB . 30209 1 448 . 1 1 39 39 PHE CD1 C 13 132.050 0.011 . . . . . A 39 PHE CD1 . 30209 1 449 . 1 1 39 39 PHE CE1 C 13 129.461 0.007 . . . . . A 39 PHE CE1 . 30209 1 450 . 1 1 39 39 PHE N N 15 122.662 0.000 . . . . . A 39 PHE N . 30209 1 451 . 1 1 40 40 ASP H H 1 8.225 0.002 . . . . . A 40 ASP H . 30209 1 452 . 1 1 40 40 ASP HA H 1 4.510 0.003 . . . . . A 40 ASP HA . 30209 1 453 . 1 1 40 40 ASP HB2 H 1 2.593 0.002 . . . . . A 40 ASP HB2 . 30209 1 454 . 1 1 40 40 ASP HB3 H 1 2.428 0.002 . . . . . A 40 ASP HB3 . 30209 1 455 . 1 1 40 40 ASP C C 13 176.013 0.000 . . . . . A 40 ASP C . 30209 1 456 . 1 1 40 40 ASP CA C 13 53.706 0.021 . . . . . A 40 ASP CA . 30209 1 457 . 1 1 40 40 ASP CB C 13 41.154 0.012 . . . . . A 40 ASP CB . 30209 1 458 . 1 1 40 40 ASP N N 15 122.188 0.000 . . . . . A 40 ASP N . 30209 1 459 . 1 1 41 41 TYR H H 1 8.081 0.002 . . . . . A 41 TYR H . 30209 1 460 . 1 1 41 41 TYR HA H 1 4.340 0.000 . . . . . A 41 TYR HA . 30209 1 461 . 1 1 41 41 TYR HB2 H 1 3.001 0.000 . . . . . A 41 TYR HB2 . 30209 1 462 . 1 1 41 41 TYR HB3 H 1 2.881 0.000 . . . . . A 41 TYR HB3 . 30209 1 463 . 1 1 41 41 TYR HD1 H 1 7.057 0.001 . . . . . A 41 TYR HD1 . 30209 1 464 . 1 1 41 41 TYR HD2 H 1 7.057 0.001 . . . . . A 41 TYR HD2 . 30209 1 465 . 1 1 41 41 TYR HE1 H 1 6.731 0.000 . . . . . A 41 TYR HE1 . 30209 1 466 . 1 1 41 41 TYR HE2 H 1 6.731 0.000 . . . . . A 41 TYR HE2 . 30209 1 467 . 1 1 41 41 TYR C C 13 175.992 0.000 . . . . . A 41 TYR C . 30209 1 468 . 1 1 41 41 TYR CA C 13 58.993 0.052 . . . . . A 41 TYR CA . 30209 1 469 . 1 1 41 41 TYR CB C 13 38.340 0.005 . . . . . A 41 TYR CB . 30209 1 470 . 1 1 41 41 TYR CD1 C 13 133.362 0.018 . . . . . A 41 TYR CD1 . 30209 1 471 . 1 1 41 41 TYR CE1 C 13 118.338 0.007 . . . . . A 41 TYR CE1 . 30209 1 472 . 1 1 41 41 TYR N N 15 121.812 0.000 . . . . . A 41 TYR N . 30209 1 473 . 1 1 42 42 LYS H H 1 8.091 0.001 . . . . . A 42 LYS H . 30209 1 474 . 1 1 42 42 LYS HA H 1 4.097 0.000 . . . . . A 42 LYS HA . 30209 1 475 . 1 1 42 42 LYS HB2 H 1 1.692 0.005 . . . . . A 42 LYS HB2 . 30209 1 476 . 1 1 42 42 LYS HB3 H 1 1.690 0.000 . . . . . A 42 LYS HB3 . 30209 1 477 . 1 1 42 42 LYS HG2 H 1 1.214 0.000 . . . . . A 42 LYS HG2 . 30209 1 478 . 1 1 42 42 LYS HG3 H 1 1.214 0.000 . . . . . A 42 LYS HG3 . 30209 1 479 . 1 1 42 42 LYS HD2 H 1 1.558 0.000 . . . . . A 42 LYS HD2 . 30209 1 480 . 1 1 42 42 LYS HD3 H 1 1.558 0.000 . . . . . A 42 LYS HD3 . 30209 1 481 . 1 1 42 42 LYS HE2 H 1 2.894 0.000 . . . . . A 42 LYS HE2 . 30209 1 482 . 1 1 42 42 LYS HE3 H 1 2.894 0.000 . . . . . A 42 LYS HE3 . 30209 1 483 . 1 1 42 42 LYS C C 13 176.641 0.000 . . . . . A 42 LYS C . 30209 1 484 . 1 1 42 42 LYS CA C 13 56.931 0.003 . . . . . A 42 LYS CA . 30209 1 485 . 1 1 42 42 LYS CB C 13 32.603 0.006 . . . . . A 42 LYS CB . 30209 1 486 . 1 1 42 42 LYS CG C 13 25.022 0.002 . . . . . A 42 LYS CG . 30209 1 487 . 1 1 42 42 LYS CD C 13 29.113 0.002 . . . . . A 42 LYS CD . 30209 1 488 . 1 1 42 42 LYS CE C 13 42.257 0.002 . . . . . A 42 LYS CE . 30209 1 489 . 1 1 42 42 LYS N N 15 121.033 0.025 . . . . . A 42 LYS N . 30209 1 490 . 1 1 43 43 LEU H H 1 7.824 0.002 . . . . . A 43 LEU H . 30209 1 491 . 1 1 43 43 LEU HA H 1 4.162 0.006 . . . . . A 43 LEU HA . 30209 1 492 . 1 1 43 43 LEU HB2 H 1 1.490 0.000 . . . . . A 43 LEU HB2 . 30209 1 493 . 1 1 43 43 LEU HB3 H 1 1.548 0.000 . . . . . A 43 LEU HB3 . 30209 1 494 . 1 1 43 43 LEU HG H 1 1.595 0.001 . . . . . A 43 LEU HG . 30209 1 495 . 1 1 43 43 LEU HD11 H 1 0.818 0.000 . . . . . A 43 LEU HD11 . 30209 1 496 . 1 1 43 43 LEU HD12 H 1 0.818 0.000 . . . . . A 43 LEU HD12 . 30209 1 497 . 1 1 43 43 LEU HD13 H 1 0.818 0.000 . . . . . A 43 LEU HD13 . 30209 1 498 . 1 1 43 43 LEU HD21 H 1 0.818 0.000 . . . . . A 43 LEU HD21 . 30209 1 499 . 1 1 43 43 LEU HD22 H 1 0.818 0.000 . . . . . A 43 LEU HD22 . 30209 1 500 . 1 1 43 43 LEU HD23 H 1 0.818 0.000 . . . . . A 43 LEU HD23 . 30209 1 501 . 1 1 43 43 LEU C C 13 177.127 0.000 . . . . . A 43 LEU C . 30209 1 502 . 1 1 43 43 LEU CA C 13 55.340 0.003 . . . . . A 43 LEU CA . 30209 1 503 . 1 1 43 43 LEU CB C 13 42.152 0.002 . . . . . A 43 LEU CB . 30209 1 504 . 1 1 43 43 LEU CG C 13 27.009 0.009 . . . . . A 43 LEU CG . 30209 1 505 . 1 1 43 43 LEU CD1 C 13 23.837 0.004 . . . . . A 43 LEU CD1 . 30209 1 506 . 1 1 43 43 LEU CD2 C 13 24.893 0.002 . . . . . A 43 LEU CD2 . 30209 1 507 . 1 1 43 43 LEU N N 15 120.935 0.000 . . . . . A 43 LEU N . 30209 1 508 . 1 1 44 44 ARG H H 1 8.116 0.003 . . . . . A 44 ARG H . 30209 1 509 . 1 1 44 44 ARG HA H 1 4.115 0.000 . . . . . A 44 ARG HA . 30209 1 510 . 1 1 44 44 ARG HB2 H 1 1.714 0.000 . . . . . A 44 ARG HB2 . 30209 1 511 . 1 1 44 44 ARG HB3 H 1 1.783 0.001 . . . . . A 44 ARG HB3 . 30209 1 512 . 1 1 44 44 ARG HG2 H 1 1.516 0.006 . . . . . A 44 ARG HG2 . 30209 1 513 . 1 1 44 44 ARG HG3 H 1 1.590 0.000 . . . . . A 44 ARG HG3 . 30209 1 514 . 1 1 44 44 ARG HD2 H 1 3.096 0.001 . . . . . A 44 ARG HD2 . 30209 1 515 . 1 1 44 44 ARG HD3 H 1 3.096 0.001 . . . . . A 44 ARG HD3 . 30209 1 516 . 1 1 44 44 ARG C C 13 176.141 0.000 . . . . . A 44 ARG C . 30209 1 517 . 1 1 44 44 ARG CA C 13 56.671 0.015 . . . . . A 44 ARG CA . 30209 1 518 . 1 1 44 44 ARG CB C 13 30.056 0.000 . . . . . A 44 ARG CB . 30209 1 519 . 1 1 44 44 ARG CG C 13 27.179 0.003 . . . . . A 44 ARG CG . 30209 1 520 . 1 1 44 44 ARG CD C 13 43.492 0.001 . . . . . A 44 ARG CD . 30209 1 521 . 1 1 44 44 ARG N N 15 120.161 0.001 . . . . . A 44 ARG N . 30209 1 522 . 1 1 45 45 MET H H 1 8.091 0.002 . . . . . A 45 MET H . 30209 1 523 . 1 1 45 45 MET HA H 1 4.346 0.000 . . . . . A 45 MET HA . 30209 1 524 . 1 1 45 45 MET HB2 H 1 1.994 0.000 . . . . . A 45 MET HB2 . 30209 1 525 . 1 1 45 45 MET HB3 H 1 1.885 0.000 . . . . . A 45 MET HB3 . 30209 1 526 . 1 1 45 45 MET HG2 H 1 2.482 0.000 . . . . . A 45 MET HG2 . 30209 1 527 . 1 1 45 45 MET HG3 H 1 2.401 0.000 . . . . . A 45 MET HG3 . 30209 1 528 . 1 1 45 45 MET C C 13 175.625 0.000 . . . . . A 45 MET C . 30209 1 529 . 1 1 45 45 MET CA C 13 55.558 0.002 . . . . . A 45 MET CA . 30209 1 530 . 1 1 45 45 MET CB C 13 33.082 0.001 . . . . . A 45 MET CB . 30209 1 531 . 1 1 45 45 MET CG C 13 32.107 0.001 . . . . . A 45 MET CG . 30209 1 532 . 1 1 45 45 MET N N 15 119.631 0.000 . . . . . A 45 MET N . 30209 1 533 . 1 1 46 46 ALA H H 1 8.158 0.001 . . . . . A 46 ALA H . 30209 1 534 . 1 1 46 46 ALA HA H 1 4.228 0.001 . . . . . A 46 ALA HA . 30209 1 535 . 1 1 46 46 ALA HB1 H 1 1.309 0.001 . . . . . A 46 ALA HB1 . 30209 1 536 . 1 1 46 46 ALA HB2 H 1 1.309 0.001 . . . . . A 46 ALA HB2 . 30209 1 537 . 1 1 46 46 ALA HB3 H 1 1.309 0.001 . . . . . A 46 ALA HB3 . 30209 1 538 . 1 1 46 46 ALA C C 13 177.596 0.000 . . . . . A 46 ALA C . 30209 1 539 . 1 1 46 46 ALA CA C 13 52.776 0.017 . . . . . A 46 ALA CA . 30209 1 540 . 1 1 46 46 ALA CB C 13 19.238 0.021 . . . . . A 46 ALA CB . 30209 1 541 . 1 1 46 46 ALA N N 15 124.179 0.000 . . . . . A 46 ALA N . 30209 1 542 . 1 1 47 47 VAL H H 1 7.831 0.001 . . . . . A 47 VAL H . 30209 1 543 . 1 1 47 47 VAL HA H 1 3.988 0.000 . . . . . A 47 VAL HA . 30209 1 544 . 1 1 47 47 VAL HB H 1 1.981 0.000 . . . . . A 47 VAL HB . 30209 1 545 . 1 1 47 47 VAL HG11 H 1 0.834 0.001 . . . . . A 47 VAL HG11 . 30209 1 546 . 1 1 47 47 VAL HG12 H 1 0.834 0.001 . . . . . A 47 VAL HG12 . 30209 1 547 . 1 1 47 47 VAL HG13 H 1 0.834 0.001 . . . . . A 47 VAL HG13 . 30209 1 548 . 1 1 47 47 VAL HG21 H 1 0.834 0.001 . . . . . A 47 VAL HG21 . 30209 1 549 . 1 1 47 47 VAL HG22 H 1 0.834 0.001 . . . . . A 47 VAL HG22 . 30209 1 550 . 1 1 47 47 VAL HG23 H 1 0.834 0.001 . . . . . A 47 VAL HG23 . 30209 1 551 . 1 1 47 47 VAL C C 13 175.985 0.000 . . . . . A 47 VAL C . 30209 1 552 . 1 1 47 47 VAL CA C 13 62.324 0.006 . . . . . A 47 VAL CA . 30209 1 553 . 1 1 47 47 VAL CB C 13 32.863 0.003 . . . . . A 47 VAL CB . 30209 1 554 . 1 1 47 47 VAL CG1 C 13 20.605 0.007 . . . . . A 47 VAL CG1 . 30209 1 555 . 1 1 47 47 VAL CG2 C 13 21.127 0.003 . . . . . A 47 VAL CG2 . 30209 1 556 . 1 1 47 47 VAL N N 15 117.771 0.020 . . . . . A 47 VAL N . 30209 1 557 . 1 1 48 48 GLU H H 1 8.331 0.002 . . . . . A 48 GLU H . 30209 1 558 . 1 1 48 48 GLU HA H 1 4.179 0.000 . . . . . A 48 GLU HA . 30209 1 559 . 1 1 48 48 GLU HB2 H 1 1.912 0.000 . . . . . A 48 GLU HB2 . 30209 1 560 . 1 1 48 48 GLU HB3 H 1 1.828 0.001 . . . . . A 48 GLU HB3 . 30209 1 561 . 1 1 48 48 GLU HG2 H 1 2.175 0.000 . . . . . A 48 GLU HG2 . 30209 1 562 . 1 1 48 48 GLU HG3 H 1 2.175 0.000 . . . . . A 48 GLU HG3 . 30209 1 563 . 1 1 48 48 GLU C C 13 175.788 0.000 . . . . . A 48 GLU C . 30209 1 564 . 1 1 48 48 GLU CA C 13 56.465 0.004 . . . . . A 48 GLU CA . 30209 1 565 . 1 1 48 48 GLU CB C 13 30.093 0.008 . . . . . A 48 GLU CB . 30209 1 566 . 1 1 48 48 GLU CG C 13 35.852 0.001 . . . . . A 48 GLU CG . 30209 1 567 . 1 1 48 48 GLU N N 15 123.019 0.000 . . . . . A 48 GLU N . 30209 1 568 . 1 1 49 49 ASN H H 1 8.311 0.001 . . . . . A 49 ASN H . 30209 1 569 . 1 1 49 49 ASN HA H 1 4.846 0.000 . . . . . A 49 ASN HA . 30209 1 570 . 1 1 49 49 ASN HB2 H 1 2.542 0.000 . . . . . A 49 ASN HB2 . 30209 1 571 . 1 1 49 49 ASN HB3 H 1 2.737 0.000 . . . . . A 49 ASN HB3 . 30209 1 572 . 1 1 49 49 ASN CA C 13 51.209 0.000 . . . . . A 49 ASN CA . 30209 1 573 . 1 1 49 49 ASN CB C 13 39.090 0.006 . . . . . A 49 ASN CB . 30209 1 574 . 1 1 49 49 ASN N N 15 120.374 0.000 . . . . . A 49 ASN N . 30209 1 575 . 1 1 50 50 PRO HA H 1 4.285 0.001 . . . . . A 50 PRO HA . 30209 1 576 . 1 1 50 50 PRO HB2 H 1 2.237 0.001 . . . . . A 50 PRO HB2 . 30209 1 577 . 1 1 50 50 PRO HB3 H 1 2.237 0.001 . . . . . A 50 PRO HB3 . 30209 1 578 . 1 1 50 50 PRO HG2 H 1 1.943 0.000 . . . . . A 50 PRO HG2 . 30209 1 579 . 1 1 50 50 PRO HG3 H 1 1.855 0.000 . . . . . A 50 PRO HG3 . 30209 1 580 . 1 1 50 50 PRO HD2 H 1 3.722 0.003 . . . . . A 50 PRO HD2 . 30209 1 581 . 1 1 50 50 PRO HD3 H 1 3.722 0.003 . . . . . A 50 PRO HD3 . 30209 1 582 . 1 1 50 50 PRO C C 13 177.842 0.000 . . . . . A 50 PRO C . 30209 1 583 . 1 1 50 50 PRO CA C 13 64.520 0.003 . . . . . A 50 PRO CA . 30209 1 584 . 1 1 50 50 PRO CB C 13 32.191 0.003 . . . . . A 50 PRO CB . 30209 1 585 . 1 1 50 50 PRO CG C 13 27.383 0.007 . . . . . A 50 PRO CG . 30209 1 586 . 1 1 50 50 PRO CD C 13 51.092 0.006 . . . . . A 50 PRO CD . 30209 1 587 . 1 1 51 51 LYS H H 1 8.127 0.001 . . . . . A 51 LYS H . 30209 1 588 . 1 1 51 51 LYS HA H 1 4.097 0.000 . . . . . A 51 LYS HA . 30209 1 589 . 1 1 51 51 LYS HB2 H 1 1.731 0.000 . . . . . A 51 LYS HB2 . 30209 1 590 . 1 1 51 51 LYS HB3 H 1 1.731 0.000 . . . . . A 51 LYS HB3 . 30209 1 591 . 1 1 51 51 LYS HG2 H 1 1.413 0.000 . . . . . A 51 LYS HG2 . 30209 1 592 . 1 1 51 51 LYS HG3 H 1 1.311 0.000 . . . . . A 51 LYS HG3 . 30209 1 593 . 1 1 51 51 LYS HD2 H 1 1.570 0.000 . . . . . A 51 LYS HD2 . 30209 1 594 . 1 1 51 51 LYS HD3 H 1 1.570 0.000 . . . . . A 51 LYS HD3 . 30209 1 595 . 1 1 51 51 LYS HE2 H 1 2.894 0.000 . . . . . A 51 LYS HE2 . 30209 1 596 . 1 1 51 51 LYS HE3 H 1 2.894 0.000 . . . . . A 51 LYS HE3 . 30209 1 597 . 1 1 51 51 LYS C C 13 177.500 0.000 . . . . . A 51 LYS C . 30209 1 598 . 1 1 51 51 LYS CA C 13 57.330 0.011 . . . . . A 51 LYS CA . 30209 1 599 . 1 1 51 51 LYS CB C 13 32.302 0.033 . . . . . A 51 LYS CB . 30209 1 600 . 1 1 51 51 LYS CG C 13 25.256 0.003 . . . . . A 51 LYS CG . 30209 1 601 . 1 1 51 51 LYS CD C 13 28.965 0.001 . . . . . A 51 LYS CD . 30209 1 602 . 1 1 51 51 LYS CE C 13 42.259 0.017 . . . . . A 51 LYS CE . 30209 1 603 . 1 1 51 51 LYS N N 15 118.100 0.000 . . . . . A 51 LYS N . 30209 1 604 . 1 1 52 52 GLN H H 1 7.871 0.002 . . . . . A 52 GLN H . 30209 1 605 . 1 1 52 52 GLN HA H 1 4.204 0.000 . . . . . A 52 GLN HA . 30209 1 606 . 1 1 52 52 GLN HB2 H 1 2.100 0.000 . . . . . A 52 GLN HB2 . 30209 1 607 . 1 1 52 52 GLN HB3 H 1 1.953 0.000 . . . . . A 52 GLN HB3 . 30209 1 608 . 1 1 52 52 GLN HG2 H 1 2.292 0.000 . . . . . A 52 GLN HG2 . 30209 1 609 . 1 1 52 52 GLN HG3 H 1 2.292 0.000 . . . . . A 52 GLN HG3 . 30209 1 610 . 1 1 52 52 GLN C C 13 176.514 0.000 . . . . . A 52 GLN C . 30209 1 611 . 1 1 52 52 GLN CA C 13 56.474 0.007 . . . . . A 52 GLN CA . 30209 1 612 . 1 1 52 52 GLN CB C 13 29.219 0.003 . . . . . A 52 GLN CB . 30209 1 613 . 1 1 52 52 GLN CG C 13 34.078 0.004 . . . . . A 52 GLN CG . 30209 1 614 . 1 1 52 52 GLN N N 15 118.730 0.000 . . . . . A 52 GLN N . 30209 1 615 . 1 1 53 53 GLN H H 1 8.062 0.002 . . . . . A 53 GLN H . 30209 1 616 . 1 1 53 53 GLN HA H 1 4.305 0.000 . . . . . A 53 GLN HA . 30209 1 617 . 1 1 53 53 GLN HB2 H 1 2.084 0.000 . . . . . A 53 GLN HB2 . 30209 1 618 . 1 1 53 53 GLN HB3 H 1 1.881 0.000 . . . . . A 53 GLN HB3 . 30209 1 619 . 1 1 53 53 GLN HG2 H 1 2.246 0.001 . . . . . A 53 GLN HG2 . 30209 1 620 . 1 1 53 53 GLN HG3 H 1 2.246 0.001 . . . . . A 53 GLN HG3 . 30209 1 621 . 1 1 53 53 GLN C C 13 176.809 0.000 . . . . . A 53 GLN C . 30209 1 622 . 1 1 53 53 GLN CA C 13 56.023 0.002 . . . . . A 53 GLN CA . 30209 1 623 . 1 1 53 53 GLN CB C 13 28.871 0.024 . . . . . A 53 GLN CB . 30209 1 624 . 1 1 53 53 GLN CG C 13 33.958 0.000 . . . . . A 53 GLN CG . 30209 1 625 . 1 1 53 53 GLN N N 15 120.161 0.002 . . . . . A 53 GLN N . 30209 1 626 . 1 1 54 54 GLN H H 1 8.238 0.002 . . . . . A 54 GLN H . 30209 1 627 . 1 1 54 54 GLN HA H 1 4.042 0.000 . . . . . A 54 GLN HA . 30209 1 628 . 1 1 54 54 GLN HB2 H 1 1.855 0.000 . . . . . A 54 GLN HB2 . 30209 1 629 . 1 1 54 54 GLN HB3 H 1 1.855 0.000 . . . . . A 54 GLN HB3 . 30209 1 630 . 1 1 54 54 GLN HG2 H 1 2.126 0.001 . . . . . A 54 GLN HG2 . 30209 1 631 . 1 1 54 54 GLN HG3 H 1 2.126 0.001 . . . . . A 54 GLN HG3 . 30209 1 632 . 1 1 54 54 GLN C C 13 176.977 0.000 . . . . . A 54 GLN C . 30209 1 633 . 1 1 54 54 GLN CA C 13 57.579 0.019 . . . . . A 54 GLN CA . 30209 1 634 . 1 1 54 54 GLN CB C 13 28.748 0.043 . . . . . A 54 GLN CB . 30209 1 635 . 1 1 54 54 GLN CG C 13 33.505 0.000 . . . . . A 54 GLN CG . 30209 1 636 . 1 1 54 54 GLN N N 15 120.671 0.000 . . . . . A 54 GLN N . 30209 1 637 . 1 1 55 55 HIS H H 1 8.717 0.002 . . . . . A 55 HIS H . 30209 1 638 . 1 1 55 55 HIS HA H 1 4.416 0.001 . . . . . A 55 HIS HA . 30209 1 639 . 1 1 55 55 HIS HB2 H 1 3.796 0.001 . . . . . A 55 HIS HB2 . 30209 1 640 . 1 1 55 55 HIS HB3 H 1 3.166 0.001 . . . . . A 55 HIS HB3 . 30209 1 641 . 1 1 55 55 HIS HD2 H 1 7.231 0.001 . . . . . A 55 HIS HD2 . 30209 1 642 . 1 1 55 55 HIS HE1 H 1 8.473 0.000 . . . . . A 55 HIS HE1 . 30209 1 643 . 1 1 55 55 HIS C C 13 175.967 0.000 . . . . . A 55 HIS C . 30209 1 644 . 1 1 55 55 HIS CA C 13 58.349 0.030 . . . . . A 55 HIS CA . 30209 1 645 . 1 1 55 55 HIS CB C 13 30.032 0.013 . . . . . A 55 HIS CB . 30209 1 646 . 1 1 55 55 HIS CD2 C 13 119.902 0.029 . . . . . A 55 HIS CD2 . 30209 1 647 . 1 1 55 55 HIS CE1 C 13 139.160 0.018 . . . . . A 55 HIS CE1 . 30209 1 648 . 1 1 55 55 HIS N N 15 116.016 0.000 . . . . . A 55 HIS N . 30209 1 649 . 1 1 56 56 LEU H H 1 7.608 0.001 . . . . . A 56 LEU H . 30209 1 650 . 1 1 56 56 LEU HA H 1 3.247 0.001 . . . . . A 56 LEU HA . 30209 1 651 . 1 1 56 56 LEU HB2 H 1 1.672 0.001 . . . . . A 56 LEU HB2 . 30209 1 652 . 1 1 56 56 LEU HB3 H 1 1.006 0.001 . . . . . A 56 LEU HB3 . 30209 1 653 . 1 1 56 56 LEU HG H 1 1.143 0.001 . . . . . A 56 LEU HG . 30209 1 654 . 1 1 56 56 LEU HD11 H 1 0.160 0.001 . . . . . A 56 LEU HD11 . 30209 1 655 . 1 1 56 56 LEU HD12 H 1 0.160 0.001 . . . . . A 56 LEU HD12 . 30209 1 656 . 1 1 56 56 LEU HD13 H 1 0.160 0.001 . . . . . A 56 LEU HD13 . 30209 1 657 . 1 1 56 56 LEU HD21 H 1 0.525 0.000 . . . . . A 56 LEU HD21 . 30209 1 658 . 1 1 56 56 LEU HD22 H 1 0.525 0.000 . . . . . A 56 LEU HD22 . 30209 1 659 . 1 1 56 56 LEU HD23 H 1 0.525 0.000 . . . . . A 56 LEU HD23 . 30209 1 660 . 1 1 56 56 LEU C C 13 176.771 0.000 . . . . . A 56 LEU C . 30209 1 661 . 1 1 56 56 LEU CA C 13 59.146 0.016 . . . . . A 56 LEU CA . 30209 1 662 . 1 1 56 56 LEU CB C 13 41.043 0.006 . . . . . A 56 LEU CB . 30209 1 663 . 1 1 56 56 LEU CG C 13 26.077 0.000 . . . . . A 56 LEU CG . 30209 1 664 . 1 1 56 56 LEU CD1 C 13 22.180 0.004 . . . . . A 56 LEU CD1 . 30209 1 665 . 1 1 56 56 LEU CD2 C 13 22.292 0.095 . . . . . A 56 LEU CD2 . 30209 1 666 . 1 1 56 56 LEU N N 15 121.670 0.000 . . . . . A 56 LEU N . 30209 1 667 . 1 1 57 57 SER H H 1 8.169 0.002 . . . . . A 57 SER H . 30209 1 668 . 1 1 57 57 SER HA H 1 3.708 0.000 . . . . . A 57 SER HA . 30209 1 669 . 1 1 57 57 SER HB2 H 1 3.832 0.000 . . . . . A 57 SER HB2 . 30209 1 670 . 1 1 57 57 SER HB3 H 1 3.832 0.000 . . . . . A 57 SER HB3 . 30209 1 671 . 1 1 57 57 SER C C 13 177.451 0.000 . . . . . A 57 SER C . 30209 1 672 . 1 1 57 57 SER CA C 13 62.046 0.016 . . . . . A 57 SER CA . 30209 1 673 . 1 1 57 57 SER CB C 13 62.047 0.007 . . . . . A 57 SER CB . 30209 1 674 . 1 1 57 57 SER N N 15 113.592 0.005 . . . . . A 57 SER N . 30209 1 675 . 1 1 58 58 LEU H H 1 7.457 0.007 . . . . . A 58 LEU H . 30209 1 676 . 1 1 58 58 LEU HA H 1 3.894 0.001 . . . . . A 58 LEU HA . 30209 1 677 . 1 1 58 58 LEU HB2 H 1 0.680 0.000 . . . . . A 58 LEU HB2 . 30209 1 678 . 1 1 58 58 LEU HB3 H 1 1.034 0.001 . . . . . A 58 LEU HB3 . 30209 1 679 . 1 1 58 58 LEU HG H 1 0.624 0.000 . . . . . A 58 LEU HG . 30209 1 680 . 1 1 58 58 LEU HD11 H 1 0.177 0.003 . . . . . A 58 LEU HD11 . 30209 1 681 . 1 1 58 58 LEU HD12 H 1 0.177 0.003 . . . . . A 58 LEU HD12 . 30209 1 682 . 1 1 58 58 LEU HD13 H 1 0.177 0.003 . . . . . A 58 LEU HD13 . 30209 1 683 . 1 1 58 58 LEU HD21 H 1 0.193 0.001 . . . . . A 58 LEU HD21 . 30209 1 684 . 1 1 58 58 LEU HD22 H 1 0.193 0.001 . . . . . A 58 LEU HD22 . 30209 1 685 . 1 1 58 58 LEU HD23 H 1 0.193 0.001 . . . . . A 58 LEU HD23 . 30209 1 686 . 1 1 58 58 LEU C C 13 179.260 0.000 . . . . . A 58 LEU C . 30209 1 687 . 1 1 58 58 LEU CA C 13 57.651 0.002 . . . . . A 58 LEU CA . 30209 1 688 . 1 1 58 58 LEU CB C 13 41.642 0.007 . . . . . A 58 LEU CB . 30209 1 689 . 1 1 58 58 LEU CG C 13 26.171 0.004 . . . . . A 58 LEU CG . 30209 1 690 . 1 1 58 58 LEU CD1 C 13 22.213 0.001 . . . . . A 58 LEU CD1 . 30209 1 691 . 1 1 58 58 LEU CD2 C 13 25.048 0.019 . . . . . A 58 LEU CD2 . 30209 1 692 . 1 1 58 58 LEU N N 15 120.019 0.000 . . . . . A 58 LEU N . 30209 1 693 . 1 1 59 59 CYS H H 1 8.244 0.003 . . . . . A 59 CYS H . 30209 1 694 . 1 1 59 59 CYS HA H 1 4.535 0.001 . . . . . A 59 CYS HA . 30209 1 695 . 1 1 59 59 CYS HB2 H 1 3.210 0.000 . . . . . A 59 CYS HB2 . 30209 1 696 . 1 1 59 59 CYS HB3 H 1 2.777 0.000 . . . . . A 59 CYS HB3 . 30209 1 697 . 1 1 59 59 CYS C C 13 176.211 0.000 . . . . . A 59 CYS C . 30209 1 698 . 1 1 59 59 CYS CA C 13 58.175 0.001 . . . . . A 59 CYS CA . 30209 1 699 . 1 1 59 59 CYS CB C 13 37.175 0.007 . . . . . A 59 CYS CB . 30209 1 700 . 1 1 59 59 CYS N N 15 119.137 0.000 . . . . . A 59 CYS N . 30209 1 701 . 1 1 60 60 CYS H H 1 8.682 0.002 . . . . . A 60 CYS H . 30209 1 702 . 1 1 60 60 CYS HA H 1 4.420 0.000 . . . . . A 60 CYS HA . 30209 1 703 . 1 1 60 60 CYS HB2 H 1 3.058 0.001 . . . . . A 60 CYS HB2 . 30209 1 704 . 1 1 60 60 CYS HB3 H 1 2.814 0.001 . . . . . A 60 CYS HB3 . 30209 1 705 . 1 1 60 60 CYS C C 13 177.394 0.000 . . . . . A 60 CYS C . 30209 1 706 . 1 1 60 60 CYS CA C 13 55.388 0.031 . . . . . A 60 CYS CA . 30209 1 707 . 1 1 60 60 CYS CB C 13 32.148 0.015 . . . . . A 60 CYS CB . 30209 1 708 . 1 1 60 60 CYS N N 15 116.915 0.000 . . . . . A 60 CYS N . 30209 1 709 . 1 1 61 61 ASN H H 1 7.846 0.001 . . . . . A 61 ASN H . 30209 1 710 . 1 1 61 61 ASN HA H 1 4.316 0.001 . . . . . A 61 ASN HA . 30209 1 711 . 1 1 61 61 ASN HB2 H 1 2.785 0.001 . . . . . A 61 ASN HB2 . 30209 1 712 . 1 1 61 61 ASN HB3 H 1 2.873 0.001 . . . . . A 61 ASN HB3 . 30209 1 713 . 1 1 61 61 ASN C C 13 177.739 0.000 . . . . . A 61 ASN C . 30209 1 714 . 1 1 61 61 ASN CA C 13 56.720 0.003 . . . . . A 61 ASN CA . 30209 1 715 . 1 1 61 61 ASN CB C 13 38.296 0.001 . . . . . A 61 ASN CB . 30209 1 716 . 1 1 61 61 ASN N N 15 118.434 0.000 . . . . . A 61 ASN N . 30209 1 717 . 1 1 62 62 GLN H H 1 8.077 0.001 . . . . . A 62 GLN H . 30209 1 718 . 1 1 62 62 GLN HA H 1 4.071 0.001 . . . . . A 62 GLN HA . 30209 1 719 . 1 1 62 62 GLN HB2 H 1 2.350 0.002 . . . . . A 62 GLN HB2 . 30209 1 720 . 1 1 62 62 GLN HB3 H 1 2.625 0.002 . . . . . A 62 GLN HB3 . 30209 1 721 . 1 1 62 62 GLN HG2 H 1 2.867 0.001 . . . . . A 62 GLN HG2 . 30209 1 722 . 1 1 62 62 GLN HG3 H 1 2.867 0.001 . . . . . A 62 GLN HG3 . 30209 1 723 . 1 1 62 62 GLN C C 13 180.533 0.000 . . . . . A 62 GLN C . 30209 1 724 . 1 1 62 62 GLN CA C 13 60.070 0.002 . . . . . A 62 GLN CA . 30209 1 725 . 1 1 62 62 GLN CB C 13 28.033 0.003 . . . . . A 62 GLN CB . 30209 1 726 . 1 1 62 62 GLN CG C 13 36.400 0.007 . . . . . A 62 GLN CG . 30209 1 727 . 1 1 62 62 GLN N N 15 119.905 0.000 . . . . . A 62 GLN N . 30209 1 728 . 1 1 63 63 LEU H H 1 8.730 0.003 . . . . . A 63 LEU H . 30209 1 729 . 1 1 63 63 LEU HA H 1 3.955 0.001 . . . . . A 63 LEU HA . 30209 1 730 . 1 1 63 63 LEU HB2 H 1 1.170 0.000 . . . . . A 63 LEU HB2 . 30209 1 731 . 1 1 63 63 LEU HB3 H 1 1.999 0.000 . . . . . A 63 LEU HB3 . 30209 1 732 . 1 1 63 63 LEU HG H 1 0.859 0.000 . . . . . A 63 LEU HG . 30209 1 733 . 1 1 63 63 LEU HD11 H 1 0.859 0.000 . . . . . A 63 LEU HD11 . 30209 1 734 . 1 1 63 63 LEU HD12 H 1 0.859 0.000 . . . . . A 63 LEU HD12 . 30209 1 735 . 1 1 63 63 LEU HD13 H 1 0.859 0.000 . . . . . A 63 LEU HD13 . 30209 1 736 . 1 1 63 63 LEU HD21 H 1 0.761 0.000 . . . . . A 63 LEU HD21 . 30209 1 737 . 1 1 63 63 LEU HD22 H 1 0.761 0.000 . . . . . A 63 LEU HD22 . 30209 1 738 . 1 1 63 63 LEU HD23 H 1 0.761 0.000 . . . . . A 63 LEU HD23 . 30209 1 739 . 1 1 63 63 LEU C C 13 179.257 0.000 . . . . . A 63 LEU C . 30209 1 740 . 1 1 63 63 LEU CA C 13 58.038 0.001 . . . . . A 63 LEU CA . 30209 1 741 . 1 1 63 63 LEU CB C 13 42.567 0.005 . . . . . A 63 LEU CB . 30209 1 742 . 1 1 63 63 LEU CG C 13 27.067 0.000 . . . . . A 63 LEU CG . 30209 1 743 . 1 1 63 63 LEU CD1 C 13 24.258 0.041 . . . . . A 63 LEU CD1 . 30209 1 744 . 1 1 63 63 LEU CD2 C 13 23.992 0.068 . . . . . A 63 LEU CD2 . 30209 1 745 . 1 1 63 63 LEU N N 15 120.543 0.000 . . . . . A 63 LEU N . 30209 1 746 . 1 1 64 64 GLN H H 1 7.911 0.004 . . . . . A 64 GLN H . 30209 1 747 . 1 1 64 64 GLN HA H 1 4.026 0.000 . . . . . A 64 GLN HA . 30209 1 748 . 1 1 64 64 GLN HB2 H 1 2.048 0.000 . . . . . A 64 GLN HB2 . 30209 1 749 . 1 1 64 64 GLN HB3 H 1 2.048 0.000 . . . . . A 64 GLN HB3 . 30209 1 750 . 1 1 64 64 GLN HG2 H 1 2.354 0.000 . . . . . A 64 GLN HG2 . 30209 1 751 . 1 1 64 64 GLN HG3 H 1 2.354 0.000 . . . . . A 64 GLN HG3 . 30209 1 752 . 1 1 64 64 GLN C C 13 176.706 0.000 . . . . . A 64 GLN C . 30209 1 753 . 1 1 64 64 GLN CA C 13 57.576 0.006 . . . . . A 64 GLN CA . 30209 1 754 . 1 1 64 64 GLN CB C 13 28.129 0.037 . . . . . A 64 GLN CB . 30209 1 755 . 1 1 64 64 GLN CG C 13 34.241 0.003 . . . . . A 64 GLN CG . 30209 1 756 . 1 1 64 64 GLN N N 15 115.766 0.000 . . . . . A 64 GLN N . 30209 1 757 . 1 1 65 65 GLU H H 1 7.678 0.003 . . . . . A 65 GLU H . 30209 1 758 . 1 1 65 65 GLU HA H 1 4.183 0.002 . . . . . A 65 GLU HA . 30209 1 759 . 1 1 65 65 GLU HB2 H 1 2.210 0.004 . . . . . A 65 GLU HB2 . 30209 1 760 . 1 1 65 65 GLU HB3 H 1 2.020 0.001 . . . . . A 65 GLU HB3 . 30209 1 761 . 1 1 65 65 GLU HG2 H 1 2.536 0.006 . . . . . A 65 GLU HG2 . 30209 1 762 . 1 1 65 65 GLU HG3 H 1 2.336 0.000 . . . . . A 65 GLU HG3 . 30209 1 763 . 1 1 65 65 GLU C C 13 176.857 0.000 . . . . . A 65 GLU C . 30209 1 764 . 1 1 65 65 GLU CA C 13 56.384 0.002 . . . . . A 65 GLU CA . 30209 1 765 . 1 1 65 65 GLU CB C 13 29.266 0.001 . . . . . A 65 GLU CB . 30209 1 766 . 1 1 65 65 GLU CG C 13 35.077 0.005 . . . . . A 65 GLU CG . 30209 1 767 . 1 1 65 65 GLU N N 15 117.836 0.001 . . . . . A 65 GLU N . 30209 1 768 . 1 1 66 66 VAL H H 1 7.379 0.001 . . . . . A 66 VAL H . 30209 1 769 . 1 1 66 66 VAL HA H 1 3.784 0.001 . . . . . A 66 VAL HA . 30209 1 770 . 1 1 66 66 VAL HB H 1 2.253 0.002 . . . . . A 66 VAL HB . 30209 1 771 . 1 1 66 66 VAL HG11 H 1 0.994 0.000 . . . . . A 66 VAL HG11 . 30209 1 772 . 1 1 66 66 VAL HG12 H 1 0.994 0.000 . . . . . A 66 VAL HG12 . 30209 1 773 . 1 1 66 66 VAL HG13 H 1 0.994 0.000 . . . . . A 66 VAL HG13 . 30209 1 774 . 1 1 66 66 VAL HG21 H 1 0.917 0.001 . . . . . A 66 VAL HG21 . 30209 1 775 . 1 1 66 66 VAL HG22 H 1 0.917 0.001 . . . . . A 66 VAL HG22 . 30209 1 776 . 1 1 66 66 VAL HG23 H 1 0.917 0.001 . . . . . A 66 VAL HG23 . 30209 1 777 . 1 1 66 66 VAL C C 13 175.298 0.000 . . . . . A 66 VAL C . 30209 1 778 . 1 1 66 66 VAL CA C 13 62.275 0.001 . . . . . A 66 VAL CA . 30209 1 779 . 1 1 66 66 VAL CB C 13 31.979 0.003 . . . . . A 66 VAL CB . 30209 1 780 . 1 1 66 66 VAL CG2 C 13 21.205 0.006 . . . . . A 66 VAL CG2 . 30209 1 781 . 1 1 66 66 VAL N N 15 122.848 0.000 . . . . . A 66 VAL N . 30209 1 782 . 1 1 67 67 GLU H H 1 8.603 0.003 . . . . . A 67 GLU H . 30209 1 783 . 1 1 67 67 GLU HA H 1 4.005 0.001 . . . . . A 67 GLU HA . 30209 1 784 . 1 1 67 67 GLU HB2 H 1 1.993 0.001 . . . . . A 67 GLU HB2 . 30209 1 785 . 1 1 67 67 GLU HB3 H 1 1.865 0.000 . . . . . A 67 GLU HB3 . 30209 1 786 . 1 1 67 67 GLU HG2 H 1 2.291 0.000 . . . . . A 67 GLU HG2 . 30209 1 787 . 1 1 67 67 GLU HG3 H 1 2.291 0.000 . . . . . A 67 GLU HG3 . 30209 1 788 . 1 1 67 67 GLU C C 13 178.827 0.000 . . . . . A 67 GLU C . 30209 1 789 . 1 1 67 67 GLU CA C 13 57.663 0.016 . . . . . A 67 GLU CA . 30209 1 790 . 1 1 67 67 GLU CB C 13 29.617 0.004 . . . . . A 67 GLU CB . 30209 1 791 . 1 1 67 67 GLU CG C 13 36.161 0.001 . . . . . A 67 GLU CG . 30209 1 792 . 1 1 67 67 GLU N N 15 126.754 0.000 . . . . . A 67 GLU N . 30209 1 793 . 1 1 68 68 LYS H H 1 8.571 0.003 . . . . . A 68 LYS H . 30209 1 794 . 1 1 68 68 LYS HA H 1 3.708 0.000 . . . . . A 68 LYS HA . 30209 1 795 . 1 1 68 68 LYS HB2 H 1 1.849 0.001 . . . . . A 68 LYS HB2 . 30209 1 796 . 1 1 68 68 LYS HB3 H 1 1.773 0.001 . . . . . A 68 LYS HB3 . 30209 1 797 . 1 1 68 68 LYS HG2 H 1 1.419 0.000 . . . . . A 68 LYS HG2 . 30209 1 798 . 1 1 68 68 LYS HG3 H 1 1.489 0.000 . . . . . A 68 LYS HG3 . 30209 1 799 . 1 1 68 68 LYS HD2 H 1 1.648 0.003 . . . . . A 68 LYS HD2 . 30209 1 800 . 1 1 68 68 LYS HD3 H 1 1.648 0.003 . . . . . A 68 LYS HD3 . 30209 1 801 . 1 1 68 68 LYS HE2 H 1 2.986 0.001 . . . . . A 68 LYS HE2 . 30209 1 802 . 1 1 68 68 LYS HE3 H 1 2.986 0.001 . . . . . A 68 LYS HE3 . 30209 1 803 . 1 1 68 68 LYS C C 13 178.939 0.000 . . . . . A 68 LYS C . 30209 1 804 . 1 1 68 68 LYS CA C 13 60.758 0.003 . . . . . A 68 LYS CA . 30209 1 805 . 1 1 68 68 LYS CB C 13 32.727 0.003 . . . . . A 68 LYS CB . 30209 1 806 . 1 1 68 68 LYS CG C 13 24.863 0.001 . . . . . A 68 LYS CG . 30209 1 807 . 1 1 68 68 LYS CD C 13 29.129 0.000 . . . . . A 68 LYS CD . 30209 1 808 . 1 1 68 68 LYS CE C 13 42.285 0.001 . . . . . A 68 LYS CE . 30209 1 809 . 1 1 68 68 LYS N N 15 124.602 0.002 . . . . . A 68 LYS N . 30209 1 810 . 1 1 69 69 GLN H H 1 9.123 0.004 . . . . . A 69 GLN H . 30209 1 811 . 1 1 69 69 GLN HA H 1 4.275 0.001 . . . . . A 69 GLN HA . 30209 1 812 . 1 1 69 69 GLN HB2 H 1 2.099 0.000 . . . . . A 69 GLN HB2 . 30209 1 813 . 1 1 69 69 GLN HB3 H 1 2.099 0.000 . . . . . A 69 GLN HB3 . 30209 1 814 . 1 1 69 69 GLN HG2 H 1 2.459 0.009 . . . . . A 69 GLN HG2 . 30209 1 815 . 1 1 69 69 GLN HG3 H 1 2.369 0.000 . . . . . A 69 GLN HG3 . 30209 1 816 . 1 1 69 69 GLN C C 13 176.956 0.000 . . . . . A 69 GLN C . 30209 1 817 . 1 1 69 69 GLN CA C 13 57.946 0.011 . . . . . A 69 GLN CA . 30209 1 818 . 1 1 69 69 GLN CB C 13 27.320 0.003 . . . . . A 69 GLN CB . 30209 1 819 . 1 1 69 69 GLN CG C 13 33.494 0.001 . . . . . A 69 GLN CG . 30209 1 820 . 1 1 69 69 GLN N N 15 115.284 0.000 . . . . . A 69 GLN N . 30209 1 821 . 1 1 70 70 CYS H H 1 8.461 0.001 . . . . . A 70 CYS H . 30209 1 822 . 1 1 70 70 CYS HA H 1 4.901 0.001 . . . . . A 70 CYS HA . 30209 1 823 . 1 1 70 70 CYS HB2 H 1 3.075 0.001 . . . . . A 70 CYS HB2 . 30209 1 824 . 1 1 70 70 CYS HB3 H 1 2.645 0.001 . . . . . A 70 CYS HB3 . 30209 1 825 . 1 1 70 70 CYS C C 13 175.381 0.000 . . . . . A 70 CYS C . 30209 1 826 . 1 1 70 70 CYS CA C 13 54.851 0.005 . . . . . A 70 CYS CA . 30209 1 827 . 1 1 70 70 CYS CB C 13 42.402 0.012 . . . . . A 70 CYS CB . 30209 1 828 . 1 1 70 70 CYS N N 15 116.877 0.000 . . . . . A 70 CYS N . 30209 1 829 . 1 1 71 71 GLN H H 1 7.380 0.001 . . . . . A 71 GLN H . 30209 1 830 . 1 1 71 71 GLN HA H 1 3.606 0.001 . . . . . A 71 GLN HA . 30209 1 831 . 1 1 71 71 GLN HB2 H 1 2.223 0.000 . . . . . A 71 GLN HB2 . 30209 1 832 . 1 1 71 71 GLN HB3 H 1 1.697 0.001 . . . . . A 71 GLN HB3 . 30209 1 833 . 1 1 71 71 GLN HG2 H 1 2.595 0.000 . . . . . A 71 GLN HG2 . 30209 1 834 . 1 1 71 71 GLN HG3 H 1 2.485 0.000 . . . . . A 71 GLN HG3 . 30209 1 835 . 1 1 71 71 GLN C C 13 176.630 0.000 . . . . . A 71 GLN C . 30209 1 836 . 1 1 71 71 GLN CA C 13 61.107 0.002 . . . . . A 71 GLN CA . 30209 1 837 . 1 1 71 71 GLN CB C 13 28.208 0.004 . . . . . A 71 GLN CB . 30209 1 838 . 1 1 71 71 GLN CG C 13 35.295 0.011 . . . . . A 71 GLN CG . 30209 1 839 . 1 1 71 71 GLN N N 15 121.917 0.000 . . . . . A 71 GLN N . 30209 1 840 . 1 1 72 72 CYS H H 1 8.320 0.002 . . . . . A 72 CYS H . 30209 1 841 . 1 1 72 72 CYS HA H 1 4.487 0.001 . . . . . A 72 CYS HA . 30209 1 842 . 1 1 72 72 CYS HB2 H 1 3.032 0.000 . . . . . A 72 CYS HB2 . 30209 1 843 . 1 1 72 72 CYS HB3 H 1 2.780 0.001 . . . . . A 72 CYS HB3 . 30209 1 844 . 1 1 72 72 CYS C C 13 177.106 0.000 . . . . . A 72 CYS C . 30209 1 845 . 1 1 72 72 CYS CA C 13 62.901 0.002 . . . . . A 72 CYS CA . 30209 1 846 . 1 1 72 72 CYS CB C 13 37.439 0.015 . . . . . A 72 CYS CB . 30209 1 847 . 1 1 72 72 CYS N N 15 115.865 0.000 . . . . . A 72 CYS N . 30209 1 848 . 1 1 73 73 GLU H H 1 8.074 0.002 . . . . . A 73 GLU H . 30209 1 849 . 1 1 73 73 GLU HA H 1 3.952 0.000 . . . . . A 73 GLU HA . 30209 1 850 . 1 1 73 73 GLU HB2 H 1 2.065 0.001 . . . . . A 73 GLU HB2 . 30209 1 851 . 1 1 73 73 GLU HB3 H 1 1.938 0.000 . . . . . A 73 GLU HB3 . 30209 1 852 . 1 1 73 73 GLU HG2 H 1 2.271 0.000 . . . . . A 73 GLU HG2 . 30209 1 853 . 1 1 73 73 GLU HG3 H 1 2.271 0.000 . . . . . A 73 GLU HG3 . 30209 1 854 . 1 1 73 73 GLU C C 13 178.294 0.000 . . . . . A 73 GLU C . 30209 1 855 . 1 1 73 73 GLU CA C 13 58.815 0.010 . . . . . A 73 GLU CA . 30209 1 856 . 1 1 73 73 GLU CB C 13 28.233 0.018 . . . . . A 73 GLU CB . 30209 1 857 . 1 1 73 73 GLU CG C 13 35.243 0.012 . . . . . A 73 GLU CG . 30209 1 858 . 1 1 73 73 GLU N N 15 123.038 0.014 . . . . . A 73 GLU N . 30209 1 859 . 1 1 74 74 ALA H H 1 8.180 0.001 . . . . . A 74 ALA H . 30209 1 860 . 1 1 74 74 ALA HA H 1 3.798 0.001 . . . . . A 74 ALA HA . 30209 1 861 . 1 1 74 74 ALA HB1 H 1 1.457 0.001 . . . . . A 74 ALA HB1 . 30209 1 862 . 1 1 74 74 ALA HB2 H 1 1.457 0.001 . . . . . A 74 ALA HB2 . 30209 1 863 . 1 1 74 74 ALA HB3 H 1 1.457 0.001 . . . . . A 74 ALA HB3 . 30209 1 864 . 1 1 74 74 ALA C C 13 178.839 0.000 . . . . . A 74 ALA C . 30209 1 865 . 1 1 74 74 ALA CA C 13 55.583 0.002 . . . . . A 74 ALA CA . 30209 1 866 . 1 1 74 74 ALA CB C 13 17.947 0.008 . . . . . A 74 ALA CB . 30209 1 867 . 1 1 74 74 ALA N N 15 121.015 0.000 . . . . . A 74 ALA N . 30209 1 868 . 1 1 75 75 ILE H H 1 7.097 0.001 . . . . . A 75 ILE H . 30209 1 869 . 1 1 75 75 ILE HA H 1 3.277 0.001 . . . . . A 75 ILE HA . 30209 1 870 . 1 1 75 75 ILE HB H 1 1.938 0.001 . . . . . A 75 ILE HB . 30209 1 871 . 1 1 75 75 ILE HG12 H 1 1.318 0.010 . . . . . A 75 ILE HG12 . 30209 1 872 . 1 1 75 75 ILE HG13 H 1 1.159 0.001 . . . . . A 75 ILE HG13 . 30209 1 873 . 1 1 75 75 ILE HG21 H 1 0.788 0.001 . . . . . A 75 ILE HG21 . 30209 1 874 . 1 1 75 75 ILE HG22 H 1 0.788 0.001 . . . . . A 75 ILE HG22 . 30209 1 875 . 1 1 75 75 ILE HG23 H 1 0.788 0.001 . . . . . A 75 ILE HG23 . 30209 1 876 . 1 1 75 75 ILE HD11 H 1 0.768 0.001 . . . . . A 75 ILE HD11 . 30209 1 877 . 1 1 75 75 ILE HD12 H 1 0.768 0.001 . . . . . A 75 ILE HD12 . 30209 1 878 . 1 1 75 75 ILE HD13 H 1 0.768 0.001 . . . . . A 75 ILE HD13 . 30209 1 879 . 1 1 75 75 ILE C C 13 177.301 0.000 . . . . . A 75 ILE C . 30209 1 880 . 1 1 75 75 ILE CA C 13 66.368 0.012 . . . . . A 75 ILE CA . 30209 1 881 . 1 1 75 75 ILE CB C 13 37.785 0.007 . . . . . A 75 ILE CB . 30209 1 882 . 1 1 75 75 ILE CG1 C 13 29.514 0.132 . . . . . A 75 ILE CG1 . 30209 1 883 . 1 1 75 75 ILE CG2 C 13 18.264 0.010 . . . . . A 75 ILE CG2 . 30209 1 884 . 1 1 75 75 ILE CD1 C 13 14.163 0.001 . . . . . A 75 ILE CD1 . 30209 1 885 . 1 1 75 75 ILE N N 15 115.620 0.000 . . . . . A 75 ILE N . 30209 1 886 . 1 1 76 76 LYS H H 1 7.647 0.003 . . . . . A 76 LYS H . 30209 1 887 . 1 1 76 76 LYS HA H 1 3.626 0.000 . . . . . A 76 LYS HA . 30209 1 888 . 1 1 76 76 LYS HB2 H 1 1.868 0.000 . . . . . A 76 LYS HB2 . 30209 1 889 . 1 1 76 76 LYS HB3 H 1 1.868 0.000 . . . . . A 76 LYS HB3 . 30209 1 890 . 1 1 76 76 LYS HG2 H 1 1.115 0.001 . . . . . A 76 LYS HG2 . 30209 1 891 . 1 1 76 76 LYS HG3 H 1 1.115 0.001 . . . . . A 76 LYS HG3 . 30209 1 892 . 1 1 76 76 LYS HD2 H 1 1.545 0.000 . . . . . A 76 LYS HD2 . 30209 1 893 . 1 1 76 76 LYS HD3 H 1 1.545 0.000 . . . . . A 76 LYS HD3 . 30209 1 894 . 1 1 76 76 LYS C C 13 179.247 0.000 . . . . . A 76 LYS C . 30209 1 895 . 1 1 76 76 LYS CA C 13 60.727 0.003 . . . . . A 76 LYS CA . 30209 1 896 . 1 1 76 76 LYS CB C 13 32.069 0.010 . . . . . A 76 LYS CB . 30209 1 897 . 1 1 76 76 LYS CG C 13 25.606 0.006 . . . . . A 76 LYS CG . 30209 1 898 . 1 1 76 76 LYS CD C 13 29.763 0.009 . . . . . A 76 LYS CD . 30209 1 899 . 1 1 76 76 LYS CE C 13 42.135 0.000 . . . . . A 76 LYS CE . 30209 1 900 . 1 1 76 76 LYS N N 15 118.374 0.000 . . . . . A 76 LYS N . 30209 1 901 . 1 1 77 77 GLN H H 1 8.049 0.002 . . . . . A 77 GLN H . 30209 1 902 . 1 1 77 77 GLN HA H 1 4.001 0.000 . . . . . A 77 GLN HA . 30209 1 903 . 1 1 77 77 GLN HB2 H 1 2.068 0.000 . . . . . A 77 GLN HB2 . 30209 1 904 . 1 1 77 77 GLN HB3 H 1 1.910 0.000 . . . . . A 77 GLN HB3 . 30209 1 905 . 1 1 77 77 GLN HG2 H 1 2.485 0.000 . . . . . A 77 GLN HG2 . 30209 1 906 . 1 1 77 77 GLN HG3 H 1 2.271 0.000 . . . . . A 77 GLN HG3 . 30209 1 907 . 1 1 77 77 GLN C C 13 179.299 0.000 . . . . . A 77 GLN C . 30209 1 908 . 1 1 77 77 GLN CA C 13 59.479 0.003 . . . . . A 77 GLN CA . 30209 1 909 . 1 1 77 77 GLN CB C 13 28.009 0.004 . . . . . A 77 GLN CB . 30209 1 910 . 1 1 77 77 GLN CG C 13 34.392 0.000 . . . . . A 77 GLN CG . 30209 1 911 . 1 1 77 77 GLN N N 15 117.749 0.009 . . . . . A 77 GLN N . 30209 1 912 . 1 1 78 78 VAL H H 1 8.085 0.003 . . . . . A 78 VAL H . 30209 1 913 . 1 1 78 78 VAL HA H 1 3.604 0.000 . . . . . A 78 VAL HA . 30209 1 914 . 1 1 78 78 VAL HB H 1 2.102 0.000 . . . . . A 78 VAL HB . 30209 1 915 . 1 1 78 78 VAL HG11 H 1 0.786 0.001 . . . . . A 78 VAL HG11 . 30209 1 916 . 1 1 78 78 VAL HG12 H 1 0.786 0.001 . . . . . A 78 VAL HG12 . 30209 1 917 . 1 1 78 78 VAL HG13 H 1 0.786 0.001 . . . . . A 78 VAL HG13 . 30209 1 918 . 1 1 78 78 VAL HG21 H 1 0.936 0.000 . . . . . A 78 VAL HG21 . 30209 1 919 . 1 1 78 78 VAL HG22 H 1 0.936 0.000 . . . . . A 78 VAL HG22 . 30209 1 920 . 1 1 78 78 VAL HG23 H 1 0.936 0.000 . . . . . A 78 VAL HG23 . 30209 1 921 . 1 1 78 78 VAL C C 13 177.821 0.000 . . . . . A 78 VAL C . 30209 1 922 . 1 1 78 78 VAL CA C 13 66.495 0.016 . . . . . A 78 VAL CA . 30209 1 923 . 1 1 78 78 VAL CB C 13 31.045 0.007 . . . . . A 78 VAL CB . 30209 1 924 . 1 1 78 78 VAL CG1 C 13 22.074 0.004 . . . . . A 78 VAL CG1 . 30209 1 925 . 1 1 78 78 VAL CG2 C 13 23.846 0.001 . . . . . A 78 VAL CG2 . 30209 1 926 . 1 1 78 78 VAL N N 15 121.145 0.000 . . . . . A 78 VAL N . 30209 1 927 . 1 1 79 79 VAL H H 1 8.493 0.002 . . . . . A 79 VAL H . 30209 1 928 . 1 1 79 79 VAL HA H 1 3.468 0.000 . . . . . A 79 VAL HA . 30209 1 929 . 1 1 79 79 VAL HB H 1 2.183 0.000 . . . . . A 79 VAL HB . 30209 1 930 . 1 1 79 79 VAL HG11 H 1 0.897 0.000 . . . . . A 79 VAL HG11 . 30209 1 931 . 1 1 79 79 VAL HG12 H 1 0.897 0.000 . . . . . A 79 VAL HG12 . 30209 1 932 . 1 1 79 79 VAL HG13 H 1 0.897 0.000 . . . . . A 79 VAL HG13 . 30209 1 933 . 1 1 79 79 VAL HG21 H 1 0.792 0.001 . . . . . A 79 VAL HG21 . 30209 1 934 . 1 1 79 79 VAL HG22 H 1 0.792 0.001 . . . . . A 79 VAL HG22 . 30209 1 935 . 1 1 79 79 VAL HG23 H 1 0.792 0.001 . . . . . A 79 VAL HG23 . 30209 1 936 . 1 1 79 79 VAL C C 13 177.433 0.000 . . . . . A 79 VAL C . 30209 1 937 . 1 1 79 79 VAL CA C 13 66.910 0.011 . . . . . A 79 VAL CA . 30209 1 938 . 1 1 79 79 VAL CB C 13 31.201 0.041 . . . . . A 79 VAL CB . 30209 1 939 . 1 1 79 79 VAL CG1 C 13 24.538 0.001 . . . . . A 79 VAL CG1 . 30209 1 940 . 1 1 79 79 VAL CG2 C 13 21.199 0.000 . . . . . A 79 VAL CG2 . 30209 1 941 . 1 1 79 79 VAL N N 15 122.434 0.003 . . . . . A 79 VAL N . 30209 1 942 . 1 1 80 80 GLU H H 1 7.851 0.006 . . . . . A 80 GLU H . 30209 1 943 . 1 1 80 80 GLU HA H 1 3.898 0.000 . . . . . A 80 GLU HA . 30209 1 944 . 1 1 80 80 GLU HB2 H 1 2.022 0.000 . . . . . A 80 GLU HB2 . 30209 1 945 . 1 1 80 80 GLU HB3 H 1 2.022 0.000 . . . . . A 80 GLU HB3 . 30209 1 946 . 1 1 80 80 GLU HG2 H 1 2.331 0.000 . . . . . A 80 GLU HG2 . 30209 1 947 . 1 1 80 80 GLU HG3 H 1 2.151 0.000 . . . . . A 80 GLU HG3 . 30209 1 948 . 1 1 80 80 GLU C C 13 179.240 0.000 . . . . . A 80 GLU C . 30209 1 949 . 1 1 80 80 GLU CA C 13 59.464 0.025 . . . . . A 80 GLU CA . 30209 1 950 . 1 1 80 80 GLU CB C 13 28.912 0.001 . . . . . A 80 GLU CB . 30209 1 951 . 1 1 80 80 GLU CG C 13 35.638 0.003 . . . . . A 80 GLU CG . 30209 1 952 . 1 1 80 80 GLU N N 15 118.726 0.001 . . . . . A 80 GLU N . 30209 1 953 . 1 1 81 81 GLN H H 1 7.570 0.002 . . . . . A 81 GLN H . 30209 1 954 . 1 1 81 81 GLN HA H 1 3.934 0.000 . . . . . A 81 GLN HA . 30209 1 955 . 1 1 81 81 GLN HB2 H 1 2.063 0.001 . . . . . A 81 GLN HB2 . 30209 1 956 . 1 1 81 81 GLN HB3 H 1 1.962 0.000 . . . . . A 81 GLN HB3 . 30209 1 957 . 1 1 81 81 GLN HG2 H 1 2.376 0.000 . . . . . A 81 GLN HG2 . 30209 1 958 . 1 1 81 81 GLN HG3 H 1 2.272 0.000 . . . . . A 81 GLN HG3 . 30209 1 959 . 1 1 81 81 GLN C C 13 178.627 0.000 . . . . . A 81 GLN C . 30209 1 960 . 1 1 81 81 GLN CA C 13 58.443 0.012 . . . . . A 81 GLN CA . 30209 1 961 . 1 1 81 81 GLN CB C 13 27.934 0.008 . . . . . A 81 GLN CB . 30209 1 962 . 1 1 81 81 GLN CG C 13 33.466 0.006 . . . . . A 81 GLN CG . 30209 1 963 . 1 1 81 81 GLN N N 15 117.712 0.000 . . . . . A 81 GLN N . 30209 1 964 . 1 1 82 82 ALA H H 1 8.737 0.004 . . . . . A 82 ALA H . 30209 1 965 . 1 1 82 82 ALA HA H 1 3.897 0.000 . . . . . A 82 ALA HA . 30209 1 966 . 1 1 82 82 ALA HB1 H 1 1.339 0.000 . . . . . A 82 ALA HB1 . 30209 1 967 . 1 1 82 82 ALA HB2 H 1 1.339 0.000 . . . . . A 82 ALA HB2 . 30209 1 968 . 1 1 82 82 ALA HB3 H 1 1.339 0.000 . . . . . A 82 ALA HB3 . 30209 1 969 . 1 1 82 82 ALA C C 13 179.386 0.000 . . . . . A 82 ALA C . 30209 1 970 . 1 1 82 82 ALA CA C 13 55.062 0.007 . . . . . A 82 ALA CA . 30209 1 971 . 1 1 82 82 ALA CB C 13 18.432 0.003 . . . . . A 82 ALA CB . 30209 1 972 . 1 1 82 82 ALA N N 15 123.097 0.000 . . . . . A 82 ALA N . 30209 1 973 . 1 1 83 83 GLN H H 1 8.762 0.001 . . . . . A 83 GLN H . 30209 1 974 . 1 1 83 83 GLN HA H 1 3.632 0.001 . . . . . A 83 GLN HA . 30209 1 975 . 1 1 83 83 GLN HB2 H 1 2.059 0.000 . . . . . A 83 GLN HB2 . 30209 1 976 . 1 1 83 83 GLN HB3 H 1 2.059 0.000 . . . . . A 83 GLN HB3 . 30209 1 977 . 1 1 83 83 GLN HG2 H 1 2.204 0.000 . . . . . A 83 GLN HG2 . 30209 1 978 . 1 1 83 83 GLN HG3 H 1 2.204 0.000 . . . . . A 83 GLN HG3 . 30209 1 979 . 1 1 83 83 GLN C C 13 177.569 0.000 . . . . . A 83 GLN C . 30209 1 980 . 1 1 83 83 GLN CA C 13 59.871 0.018 . . . . . A 83 GLN CA . 30209 1 981 . 1 1 83 83 GLN CB C 13 27.927 0.008 . . . . . A 83 GLN CB . 30209 1 982 . 1 1 83 83 GLN CG C 13 34.049 0.001 . . . . . A 83 GLN CG . 30209 1 983 . 1 1 83 83 GLN N N 15 117.827 0.000 . . . . . A 83 GLN N . 30209 1 984 . 1 1 84 84 LYS H H 1 7.351 0.004 . . . . . A 84 LYS H . 30209 1 985 . 1 1 84 84 LYS HA H 1 3.928 0.001 . . . . . A 84 LYS HA . 30209 1 986 . 1 1 84 84 LYS HB2 H 1 1.825 0.000 . . . . . A 84 LYS HB2 . 30209 1 987 . 1 1 84 84 LYS HB3 H 1 1.825 0.000 . . . . . A 84 LYS HB3 . 30209 1 988 . 1 1 84 84 LYS HG2 H 1 1.359 0.001 . . . . . A 84 LYS HG2 . 30209 1 989 . 1 1 84 84 LYS HG3 H 1 1.359 0.001 . . . . . A 84 LYS HG3 . 30209 1 990 . 1 1 84 84 LYS HD2 H 1 1.553 0.006 . . . . . A 84 LYS HD2 . 30209 1 991 . 1 1 84 84 LYS HD3 H 1 1.553 0.006 . . . . . A 84 LYS HD3 . 30209 1 992 . 1 1 84 84 LYS HE2 H 1 2.873 0.000 . . . . . A 84 LYS HE2 . 30209 1 993 . 1 1 84 84 LYS HE3 H 1 2.873 0.000 . . . . . A 84 LYS HE3 . 30209 1 994 . 1 1 84 84 LYS C C 13 178.756 0.000 . . . . . A 84 LYS C . 30209 1 995 . 1 1 84 84 LYS CA C 13 59.192 0.008 . . . . . A 84 LYS CA . 30209 1 996 . 1 1 84 84 LYS CB C 13 32.286 0.014 . . . . . A 84 LYS CB . 30209 1 997 . 1 1 84 84 LYS CG C 13 25.304 0.008 . . . . . A 84 LYS CG . 30209 1 998 . 1 1 84 84 LYS CD C 13 29.357 0.011 . . . . . A 84 LYS CD . 30209 1 999 . 1 1 84 84 LYS CE C 13 42.275 0.003 . . . . . A 84 LYS CE . 30209 1 1000 . 1 1 84 84 LYS N N 15 117.674 0.003 . . . . . A 84 LYS N . 30209 1 1001 . 1 1 85 85 GLN H H 1 7.585 0.003 . . . . . A 85 GLN H . 30209 1 1002 . 1 1 85 85 GLN HA H 1 4.027 0.000 . . . . . A 85 GLN HA . 30209 1 1003 . 1 1 85 85 GLN HB2 H 1 2.061 0.000 . . . . . A 85 GLN HB2 . 30209 1 1004 . 1 1 85 85 GLN HB3 H 1 2.061 0.000 . . . . . A 85 GLN HB3 . 30209 1 1005 . 1 1 85 85 GLN HG2 H 1 2.345 0.000 . . . . . A 85 GLN HG2 . 30209 1 1006 . 1 1 85 85 GLN HG3 H 1 2.213 0.001 . . . . . A 85 GLN HG3 . 30209 1 1007 . 1 1 85 85 GLN C C 13 178.557 0.000 . . . . . A 85 GLN C . 30209 1 1008 . 1 1 85 85 GLN CA C 13 58.200 0.011 . . . . . A 85 GLN CA . 30209 1 1009 . 1 1 85 85 GLN CB C 13 28.757 0.007 . . . . . A 85 GLN CB . 30209 1 1010 . 1 1 85 85 GLN CG C 13 33.792 0.004 . . . . . A 85 GLN CG . 30209 1 1011 . 1 1 85 85 GLN N N 15 117.371 0.000 . . . . . A 85 GLN N . 30209 1 1012 . 1 1 86 86 LEU H H 1 8.010 0.003 . . . . . A 86 LEU H . 30209 1 1013 . 1 1 86 86 LEU HA H 1 4.123 0.001 . . . . . A 86 LEU HA . 30209 1 1014 . 1 1 86 86 LEU HB2 H 1 1.332 0.001 . . . . . A 86 LEU HB2 . 30209 1 1015 . 1 1 86 86 LEU HB3 H 1 1.694 0.000 . . . . . A 86 LEU HB3 . 30209 1 1016 . 1 1 86 86 LEU HG H 1 0.756 0.000 . . . . . A 86 LEU HG . 30209 1 1017 . 1 1 86 86 LEU HD11 H 1 0.838 0.001 . . . . . A 86 LEU HD11 . 30209 1 1018 . 1 1 86 86 LEU HD12 H 1 0.838 0.001 . . . . . A 86 LEU HD12 . 30209 1 1019 . 1 1 86 86 LEU HD13 H 1 0.838 0.001 . . . . . A 86 LEU HD13 . 30209 1 1020 . 1 1 86 86 LEU HD21 H 1 0.756 0.000 . . . . . A 86 LEU HD21 . 30209 1 1021 . 1 1 86 86 LEU HD22 H 1 0.756 0.000 . . . . . A 86 LEU HD22 . 30209 1 1022 . 1 1 86 86 LEU HD23 H 1 0.756 0.000 . . . . . A 86 LEU HD23 . 30209 1 1023 . 1 1 86 86 LEU C C 13 178.888 0.000 . . . . . A 86 LEU C . 30209 1 1024 . 1 1 86 86 LEU CA C 13 56.634 0.009 . . . . . A 86 LEU CA . 30209 1 1025 . 1 1 86 86 LEU CB C 13 42.412 0.008 . . . . . A 86 LEU CB . 30209 1 1026 . 1 1 86 86 LEU CG C 13 26.511 0.008 . . . . . A 86 LEU CG . 30209 1 1027 . 1 1 86 86 LEU CD1 C 13 23.250 0.000 . . . . . A 86 LEU CD1 . 30209 1 1028 . 1 1 86 86 LEU CD2 C 13 22.657 0.004 . . . . . A 86 LEU CD2 . 30209 1 1029 . 1 1 86 86 LEU N N 15 118.851 0.000 . . . . . A 86 LEU N . 30209 1 1030 . 1 1 87 87 GLN H H 1 8.030 0.005 . . . . . A 87 GLN H . 30209 1 1031 . 1 1 87 87 GLN HA H 1 3.917 0.000 . . . . . A 87 GLN HA . 30209 1 1032 . 1 1 87 87 GLN HB2 H 1 2.128 0.000 . . . . . A 87 GLN HB2 . 30209 1 1033 . 1 1 87 87 GLN HB3 H 1 2.128 0.000 . . . . . A 87 GLN HB3 . 30209 1 1034 . 1 1 87 87 GLN HG2 H 1 2.512 0.000 . . . . . A 87 GLN HG2 . 30209 1 1035 . 1 1 87 87 GLN HG3 H 1 2.512 0.000 . . . . . A 87 GLN HG3 . 30209 1 1036 . 1 1 87 87 GLN C C 13 177.131 0.000 . . . . . A 87 GLN C . 30209 1 1037 . 1 1 87 87 GLN CA C 13 57.640 0.004 . . . . . A 87 GLN CA . 30209 1 1038 . 1 1 87 87 GLN CB C 13 27.730 0.003 . . . . . A 87 GLN CB . 30209 1 1039 . 1 1 87 87 GLN CG C 13 33.751 0.009 . . . . . A 87 GLN CG . 30209 1 1040 . 1 1 87 87 GLN N N 15 117.765 0.011 . . . . . A 87 GLN N . 30209 1 1041 . 1 1 88 88 GLN H H 1 7.171 0.001 . . . . . A 88 GLN H . 30209 1 1042 . 1 1 88 88 GLN HA H 1 4.227 0.010 . . . . . A 88 GLN HA . 30209 1 1043 . 1 1 88 88 GLN HB2 H 1 2.127 0.000 . . . . . A 88 GLN HB2 . 30209 1 1044 . 1 1 88 88 GLN HB3 H 1 1.990 0.001 . . . . . A 88 GLN HB3 . 30209 1 1045 . 1 1 88 88 GLN HG2 H 1 2.428 0.000 . . . . . A 88 GLN HG2 . 30209 1 1046 . 1 1 88 88 GLN HG3 H 1 2.335 0.000 . . . . . A 88 GLN HG3 . 30209 1 1047 . 1 1 88 88 GLN C C 13 176.677 0.000 . . . . . A 88 GLN C . 30209 1 1048 . 1 1 88 88 GLN CA C 13 56.399 0.008 . . . . . A 88 GLN CA . 30209 1 1049 . 1 1 88 88 GLN CB C 13 29.035 0.025 . . . . . A 88 GLN CB . 30209 1 1050 . 1 1 88 88 GLN CG C 13 34.093 0.008 . . . . . A 88 GLN CG . 30209 1 1051 . 1 1 88 88 GLN N N 15 115.447 0.000 . . . . . A 88 GLN N . 30209 1 1052 . 1 1 89 89 GLY H H 1 7.833 0.000 . . . . . A 89 GLY H . 30209 1 1053 . 1 1 89 89 GLY HA2 H 1 4.093 0.000 . . . . . A 89 GLY HA2 . 30209 1 1054 . 1 1 89 89 GLY HA3 H 1 3.860 0.000 . . . . . A 89 GLY HA3 . 30209 1 1055 . 1 1 89 89 GLY C C 13 174.314 0.000 . . . . . A 89 GLY C . 30209 1 1056 . 1 1 89 89 GLY CA C 13 44.903 0.005 . . . . . A 89 GLY CA . 30209 1 1057 . 1 1 89 89 GLY N N 15 107.818 0.000 . . . . . A 89 GLY N . 30209 1 1058 . 1 1 90 90 GLN H H 1 8.391 0.001 . . . . . A 90 GLN H . 30209 1 1059 . 1 1 90 90 GLN HA H 1 4.185 0.001 . . . . . A 90 GLN HA . 30209 1 1060 . 1 1 90 90 GLN HB2 H 1 2.088 0.000 . . . . . A 90 GLN HB2 . 30209 1 1061 . 1 1 90 90 GLN HB3 H 1 1.966 0.000 . . . . . A 90 GLN HB3 . 30209 1 1062 . 1 1 90 90 GLN HG2 H 1 2.296 0.000 . . . . . A 90 GLN HG2 . 30209 1 1063 . 1 1 90 90 GLN HG3 H 1 2.296 0.000 . . . . . A 90 GLN HG3 . 30209 1 1064 . 1 1 90 90 GLN C C 13 177.173 0.000 . . . . . A 90 GLN C . 30209 1 1065 . 1 1 90 90 GLN CA C 13 56.879 0.014 . . . . . A 90 GLN CA . 30209 1 1066 . 1 1 90 90 GLN CB C 13 28.534 0.008 . . . . . A 90 GLN CB . 30209 1 1067 . 1 1 90 90 GLN CG C 13 33.891 0.003 . . . . . A 90 GLN CG . 30209 1 1068 . 1 1 90 90 GLN N N 15 119.417 0.000 . . . . . A 90 GLN N . 30209 1 1069 . 1 1 91 91 GLY H H 1 8.654 0.004 . . . . . A 91 GLY H . 30209 1 1070 . 1 1 91 91 GLY HA2 H 1 3.926 0.000 . . . . . A 91 GLY HA2 . 30209 1 1071 . 1 1 91 91 GLY HA3 H 1 3.752 0.000 . . . . . A 91 GLY HA3 . 30209 1 1072 . 1 1 91 91 GLY C C 13 175.293 0.000 . . . . . A 91 GLY C . 30209 1 1073 . 1 1 91 91 GLY CA C 13 45.961 0.003 . . . . . A 91 GLY CA . 30209 1 1074 . 1 1 91 91 GLY N N 15 109.929 0.000 . . . . . A 91 GLY N . 30209 1 1075 . 1 1 92 92 GLY H H 1 8.019 0.001 . . . . . A 92 GLY H . 30209 1 1076 . 1 1 92 92 GLY HA2 H 1 3.974 0.000 . . . . . A 92 GLY HA2 . 30209 1 1077 . 1 1 92 92 GLY HA3 H 1 3.906 0.000 . . . . . A 92 GLY HA3 . 30209 1 1078 . 1 1 92 92 GLY C C 13 175.056 0.000 . . . . . A 92 GLY C . 30209 1 1079 . 1 1 92 92 GLY CA C 13 46.162 0.022 . . . . . A 92 GLY CA . 30209 1 1080 . 1 1 92 92 GLY N N 15 108.276 0.000 . . . . . A 92 GLY N . 30209 1 1081 . 1 1 93 93 GLN H H 1 8.505 0.003 . . . . . A 93 GLN H . 30209 1 1082 . 1 1 93 93 GLN HA H 1 3.947 0.000 . . . . . A 93 GLN HA . 30209 1 1083 . 1 1 93 93 GLN HB2 H 1 2.018 0.000 . . . . . A 93 GLN HB2 . 30209 1 1084 . 1 1 93 93 GLN HB3 H 1 2.018 0.000 . . . . . A 93 GLN HB3 . 30209 1 1085 . 1 1 93 93 GLN HG2 H 1 2.342 0.000 . . . . . A 93 GLN HG2 . 30209 1 1086 . 1 1 93 93 GLN HG3 H 1 2.342 0.000 . . . . . A 93 GLN HG3 . 30209 1 1087 . 1 1 93 93 GLN C C 13 178.346 0.000 . . . . . A 93 GLN C . 30209 1 1088 . 1 1 93 93 GLN CA C 13 58.913 0.006 . . . . . A 93 GLN CA . 30209 1 1089 . 1 1 93 93 GLN CB C 13 28.236 0.004 . . . . . A 93 GLN CB . 30209 1 1090 . 1 1 93 93 GLN CG C 13 33.805 0.000 . . . . . A 93 GLN CG . 30209 1 1091 . 1 1 93 93 GLN N N 15 120.175 0.000 . . . . . A 93 GLN N . 30209 1 1092 . 1 1 94 94 GLN H H 1 8.456 0.002 . . . . . A 94 GLN H . 30209 1 1093 . 1 1 94 94 GLN HA H 1 4.043 0.000 . . . . . A 94 GLN HA . 30209 1 1094 . 1 1 94 94 GLN HB2 H 1 2.014 0.000 . . . . . A 94 GLN HB2 . 30209 1 1095 . 1 1 94 94 GLN HB3 H 1 2.014 0.000 . . . . . A 94 GLN HB3 . 30209 1 1096 . 1 1 94 94 GLN HG2 H 1 2.342 0.000 . . . . . A 94 GLN HG2 . 30209 1 1097 . 1 1 94 94 GLN HG3 H 1 2.342 0.000 . . . . . A 94 GLN HG3 . 30209 1 1098 . 1 1 94 94 GLN C C 13 178.420 0.000 . . . . . A 94 GLN C . 30209 1 1099 . 1 1 94 94 GLN CA C 13 58.920 0.035 . . . . . A 94 GLN CA . 30209 1 1100 . 1 1 94 94 GLN CB C 13 27.994 0.003 . . . . . A 94 GLN CB . 30209 1 1101 . 1 1 94 94 GLN CG C 13 34.263 0.005 . . . . . A 94 GLN CG . 30209 1 1102 . 1 1 94 94 GLN N N 15 118.569 0.000 . . . . . A 94 GLN N . 30209 1 1103 . 1 1 95 95 GLN H H 1 7.684 0.001 . . . . . A 95 GLN H . 30209 1 1104 . 1 1 95 95 GLN HA H 1 3.880 0.001 . . . . . A 95 GLN HA . 30209 1 1105 . 1 1 95 95 GLN HB2 H 1 1.938 0.003 . . . . . A 95 GLN HB2 . 30209 1 1106 . 1 1 95 95 GLN HB3 H 1 1.828 0.000 . . . . . A 95 GLN HB3 . 30209 1 1107 . 1 1 95 95 GLN HG2 H 1 2.124 0.000 . . . . . A 95 GLN HG2 . 30209 1 1108 . 1 1 95 95 GLN HG3 H 1 1.997 0.000 . . . . . A 95 GLN HG3 . 30209 1 1109 . 1 1 95 95 GLN C C 13 178.593 0.000 . . . . . A 95 GLN C . 30209 1 1110 . 1 1 95 95 GLN CA C 13 58.958 0.015 . . . . . A 95 GLN CA . 30209 1 1111 . 1 1 95 95 GLN CB C 13 28.340 0.029 . . . . . A 95 GLN CB . 30209 1 1112 . 1 1 95 95 GLN CG C 13 34.403 0.001 . . . . . A 95 GLN CG . 30209 1 1113 . 1 1 95 95 GLN N N 15 118.501 0.000 . . . . . A 95 GLN N . 30209 1 1114 . 1 1 96 96 VAL H H 1 7.956 0.001 . . . . . A 96 VAL H . 30209 1 1115 . 1 1 96 96 VAL HA H 1 3.400 0.001 . . . . . A 96 VAL HA . 30209 1 1116 . 1 1 96 96 VAL HB H 1 2.017 0.000 . . . . . A 96 VAL HB . 30209 1 1117 . 1 1 96 96 VAL HG11 H 1 0.926 0.000 . . . . . A 96 VAL HG11 . 30209 1 1118 . 1 1 96 96 VAL HG12 H 1 0.926 0.000 . . . . . A 96 VAL HG12 . 30209 1 1119 . 1 1 96 96 VAL HG13 H 1 0.926 0.000 . . . . . A 96 VAL HG13 . 30209 1 1120 . 1 1 96 96 VAL HG21 H 1 0.815 0.000 . . . . . A 96 VAL HG21 . 30209 1 1121 . 1 1 96 96 VAL HG22 H 1 0.815 0.000 . . . . . A 96 VAL HG22 . 30209 1 1122 . 1 1 96 96 VAL HG23 H 1 0.815 0.000 . . . . . A 96 VAL HG23 . 30209 1 1123 . 1 1 96 96 VAL C C 13 178.202 0.000 . . . . . A 96 VAL C . 30209 1 1124 . 1 1 96 96 VAL CA C 13 67.172 0.011 . . . . . A 96 VAL CA . 30209 1 1125 . 1 1 96 96 VAL CB C 13 31.584 0.001 . . . . . A 96 VAL CB . 30209 1 1126 . 1 1 96 96 VAL CG1 C 13 22.962 0.008 . . . . . A 96 VAL CG1 . 30209 1 1127 . 1 1 96 96 VAL CG2 C 13 21.189 0.003 . . . . . A 96 VAL CG2 . 30209 1 1128 . 1 1 96 96 VAL N N 15 120.368 0.000 . . . . . A 96 VAL N . 30209 1 1129 . 1 1 97 97 GLN H H 1 7.496 0.004 . . . . . A 97 GLN H . 30209 1 1130 . 1 1 97 97 GLN HA H 1 3.780 0.000 . . . . . A 97 GLN HA . 30209 1 1131 . 1 1 97 97 GLN HB2 H 1 1.245 0.000 . . . . . A 97 GLN HB2 . 30209 1 1132 . 1 1 97 97 GLN HB3 H 1 0.982 0.000 . . . . . A 97 GLN HB3 . 30209 1 1133 . 1 1 97 97 GLN HG2 H 1 2.151 0.001 . . . . . A 97 GLN HG2 . 30209 1 1134 . 1 1 97 97 GLN HG3 H 1 2.348 0.002 . . . . . A 97 GLN HG3 . 30209 1 1135 . 1 1 97 97 GLN CA C 13 59.186 0.000 . . . . . A 97 GLN CA . 30209 1 1136 . 1 1 97 97 GLN CB C 13 32.324 0.004 . . . . . A 97 GLN CB . 30209 1 1137 . 1 1 97 97 GLN CG C 13 32.126 0.000 . . . . . A 97 GLN CG . 30209 1 1138 . 1 1 97 97 GLN N N 15 119.162 0.000 . . . . . A 97 GLN N . 30209 1 1139 . 1 1 98 98 GLN HA H 1 3.985 0.001 . . . . . A 98 GLN HA . 30209 1 1140 . 1 1 98 98 GLN HB2 H 1 2.062 0.001 . . . . . A 98 GLN HB2 . 30209 1 1141 . 1 1 98 98 GLN HB3 H 1 2.062 0.001 . . . . . A 98 GLN HB3 . 30209 1 1142 . 1 1 98 98 GLN HG2 H 1 2.431 0.000 . . . . . A 98 GLN HG2 . 30209 1 1143 . 1 1 98 98 GLN HG3 H 1 2.318 0.000 . . . . . A 98 GLN HG3 . 30209 1 1144 . 1 1 98 98 GLN C C 13 178.115 0.000 . . . . . A 98 GLN C . 30209 1 1145 . 1 1 98 98 GLN CA C 13 58.682 0.002 . . . . . A 98 GLN CA . 30209 1 1146 . 1 1 98 98 GLN CB C 13 28.663 0.005 . . . . . A 98 GLN CB . 30209 1 1147 . 1 1 98 98 GLN CG C 13 34.378 0.005 . . . . . A 98 GLN CG . 30209 1 1148 . 1 1 99 99 MET H H 1 7.969 0.003 . . . . . A 99 MET H . 30209 1 1149 . 1 1 99 99 MET HA H 1 3.956 0.000 . . . . . A 99 MET HA . 30209 1 1150 . 1 1 99 99 MET HB2 H 1 2.114 0.000 . . . . . A 99 MET HB2 . 30209 1 1151 . 1 1 99 99 MET HB3 H 1 2.346 0.000 . . . . . A 99 MET HB3 . 30209 1 1152 . 1 1 99 99 MET HG2 H 1 2.482 0.000 . . . . . A 99 MET HG2 . 30209 1 1153 . 1 1 99 99 MET HG3 H 1 2.482 0.000 . . . . . A 99 MET HG3 . 30209 1 1154 . 1 1 99 99 MET C C 13 177.879 0.000 . . . . . A 99 MET C . 30209 1 1155 . 1 1 99 99 MET CA C 13 59.843 0.034 . . . . . A 99 MET CA . 30209 1 1156 . 1 1 99 99 MET CB C 13 30.830 0.010 . . . . . A 99 MET CB . 30209 1 1157 . 1 1 99 99 MET CG C 13 32.899 0.008 . . . . . A 99 MET CG . 30209 1 1158 . 1 1 99 99 MET N N 15 122.282 0.000 . . . . . A 99 MET N . 30209 1 1159 . 1 1 100 100 VAL H H 1 8.401 0.001 . . . . . A 100 VAL H . 30209 1 1160 . 1 1 100 100 VAL HA H 1 3.418 0.002 . . . . . A 100 VAL HA . 30209 1 1161 . 1 1 100 100 VAL HB H 1 2.021 0.000 . . . . . A 100 VAL HB . 30209 1 1162 . 1 1 100 100 VAL HG11 H 1 0.950 0.000 . . . . . A 100 VAL HG11 . 30209 1 1163 . 1 1 100 100 VAL HG12 H 1 0.950 0.000 . . . . . A 100 VAL HG12 . 30209 1 1164 . 1 1 100 100 VAL HG13 H 1 0.950 0.000 . . . . . A 100 VAL HG13 . 30209 1 1165 . 1 1 100 100 VAL HG21 H 1 0.830 0.000 . . . . . A 100 VAL HG21 . 30209 1 1166 . 1 1 100 100 VAL HG22 H 1 0.830 0.000 . . . . . A 100 VAL HG22 . 30209 1 1167 . 1 1 100 100 VAL HG23 H 1 0.830 0.000 . . . . . A 100 VAL HG23 . 30209 1 1168 . 1 1 100 100 VAL C C 13 177.320 0.000 . . . . . A 100 VAL C . 30209 1 1169 . 1 1 100 100 VAL CA C 13 67.204 0.004 . . . . . A 100 VAL CA . 30209 1 1170 . 1 1 100 100 VAL CB C 13 31.586 0.009 . . . . . A 100 VAL CB . 30209 1 1171 . 1 1 100 100 VAL CG1 C 13 23.820 0.001 . . . . . A 100 VAL CG1 . 30209 1 1172 . 1 1 100 100 VAL CG2 C 13 21.503 0.002 . . . . . A 100 VAL CG2 . 30209 1 1173 . 1 1 100 100 VAL N N 15 120.650 0.000 . . . . . A 100 VAL N . 30209 1 1174 . 1 1 101 101 LYS H H 1 7.998 0.001 . . . . . A 101 LYS H . 30209 1 1175 . 1 1 101 101 LYS HA H 1 3.901 0.000 . . . . . A 101 LYS HA . 30209 1 1176 . 1 1 101 101 LYS HB2 H 1 1.852 0.000 . . . . . A 101 LYS HB2 . 30209 1 1177 . 1 1 101 101 LYS HB3 H 1 1.852 0.000 . . . . . A 101 LYS HB3 . 30209 1 1178 . 1 1 101 101 LYS HG2 H 1 1.496 0.001 . . . . . A 101 LYS HG2 . 30209 1 1179 . 1 1 101 101 LYS HG3 H 1 1.397 0.000 . . . . . A 101 LYS HG3 . 30209 1 1180 . 1 1 101 101 LYS HD2 H 1 1.634 0.001 . . . . . A 101 LYS HD2 . 30209 1 1181 . 1 1 101 101 LYS HD3 H 1 1.634 0.001 . . . . . A 101 LYS HD3 . 30209 1 1182 . 1 1 101 101 LYS HE2 H 1 2.895 0.000 . . . . . A 101 LYS HE2 . 30209 1 1183 . 1 1 101 101 LYS HE3 H 1 2.895 0.000 . . . . . A 101 LYS HE3 . 30209 1 1184 . 1 1 101 101 LYS C C 13 179.660 0.000 . . . . . A 101 LYS C . 30209 1 1185 . 1 1 101 101 LYS CA C 13 59.197 0.002 . . . . . A 101 LYS CA . 30209 1 1186 . 1 1 101 101 LYS CB C 13 31.947 0.009 . . . . . A 101 LYS CB . 30209 1 1187 . 1 1 101 101 LYS CG C 13 25.180 0.009 . . . . . A 101 LYS CG . 30209 1 1188 . 1 1 101 101 LYS CD C 13 28.816 0.001 . . . . . A 101 LYS CD . 30209 1 1189 . 1 1 101 101 LYS CE C 13 42.309 0.001 . . . . . A 101 LYS CE . 30209 1 1190 . 1 1 101 101 LYS N N 15 117.440 0.012 . . . . . A 101 LYS N . 30209 1 1191 . 1 1 102 102 LYS H H 1 7.715 0.004 . . . . . A 102 LYS H . 30209 1 1192 . 1 1 102 102 LYS HA H 1 3.987 0.000 . . . . . A 102 LYS HA . 30209 1 1193 . 1 1 102 102 LYS HB2 H 1 1.541 0.000 . . . . . A 102 LYS HB2 . 30209 1 1194 . 1 1 102 102 LYS HB3 H 1 1.974 0.000 . . . . . A 102 LYS HB3 . 30209 1 1195 . 1 1 102 102 LYS HG2 H 1 1.269 0.000 . . . . . A 102 LYS HG2 . 30209 1 1196 . 1 1 102 102 LYS HG3 H 1 1.269 0.000 . . . . . A 102 LYS HG3 . 30209 1 1197 . 1 1 102 102 LYS HD2 H 1 1.541 0.000 . . . . . A 102 LYS HD2 . 30209 1 1198 . 1 1 102 102 LYS HD3 H 1 1.541 0.000 . . . . . A 102 LYS HD3 . 30209 1 1199 . 1 1 102 102 LYS HE2 H 1 2.455 0.000 . . . . . A 102 LYS HE2 . 30209 1 1200 . 1 1 102 102 LYS HE3 H 1 2.569 0.000 . . . . . A 102 LYS HE3 . 30209 1 1201 . 1 1 102 102 LYS C C 13 180.731 0.000 . . . . . A 102 LYS C . 30209 1 1202 . 1 1 102 102 LYS CA C 13 59.732 0.010 . . . . . A 102 LYS CA . 30209 1 1203 . 1 1 102 102 LYS CB C 13 33.309 0.004 . . . . . A 102 LYS CB . 30209 1 1204 . 1 1 102 102 LYS CG C 13 25.977 0.009 . . . . . A 102 LYS CG . 30209 1 1205 . 1 1 102 102 LYS CD C 13 30.108 0.002 . . . . . A 102 LYS CD . 30209 1 1206 . 1 1 102 102 LYS CE C 13 42.041 0.003 . . . . . A 102 LYS CE . 30209 1 1207 . 1 1 102 102 LYS N N 15 117.817 0.000 . . . . . A 102 LYS N . 30209 1 1208 . 1 1 103 103 ALA H H 1 8.698 0.002 . . . . . A 103 ALA H . 30209 1 1209 . 1 1 103 103 ALA HA H 1 3.852 0.007 . . . . . A 103 ALA HA . 30209 1 1210 . 1 1 103 103 ALA HB1 H 1 1.361 0.001 . . . . . A 103 ALA HB1 . 30209 1 1211 . 1 1 103 103 ALA HB2 H 1 1.361 0.001 . . . . . A 103 ALA HB2 . 30209 1 1212 . 1 1 103 103 ALA HB3 H 1 1.361 0.001 . . . . . A 103 ALA HB3 . 30209 1 1213 . 1 1 103 103 ALA C C 13 178.927 0.000 . . . . . A 103 ALA C . 30209 1 1214 . 1 1 103 103 ALA CA C 13 55.582 0.003 . . . . . A 103 ALA CA . 30209 1 1215 . 1 1 103 103 ALA CB C 13 18.636 0.012 . . . . . A 103 ALA CB . 30209 1 1216 . 1 1 103 103 ALA N N 15 124.560 0.000 . . . . . A 103 ALA N . 30209 1 1217 . 1 1 104 104 GLN H H 1 8.129 0.001 . . . . . A 104 GLN H . 30209 1 1218 . 1 1 104 104 GLN HA H 1 3.814 0.002 . . . . . A 104 GLN HA . 30209 1 1219 . 1 1 104 104 GLN HB2 H 1 2.237 0.000 . . . . . A 104 GLN HB2 . 30209 1 1220 . 1 1 104 104 GLN HB3 H 1 2.047 0.001 . . . . . A 104 GLN HB3 . 30209 1 1221 . 1 1 104 104 GLN HG2 H 1 2.621 0.000 . . . . . A 104 GLN HG2 . 30209 1 1222 . 1 1 104 104 GLN HG3 H 1 2.346 0.001 . . . . . A 104 GLN HG3 . 30209 1 1223 . 1 1 104 104 GLN C C 13 178.064 0.000 . . . . . A 104 GLN C . 30209 1 1224 . 1 1 104 104 GLN CA C 13 58.382 0.006 . . . . . A 104 GLN CA . 30209 1 1225 . 1 1 104 104 GLN CB C 13 28.488 0.005 . . . . . A 104 GLN CB . 30209 1 1226 . 1 1 104 104 GLN CG C 13 34.533 0.003 . . . . . A 104 GLN CG . 30209 1 1227 . 1 1 104 104 GLN N N 15 114.070 0.000 . . . . . A 104 GLN N . 30209 1 1228 . 1 1 105 105 MET H H 1 7.256 0.002 . . . . . A 105 MET H . 30209 1 1229 . 1 1 105 105 MET HA H 1 4.408 0.001 . . . . . A 105 MET HA . 30209 1 1230 . 1 1 105 105 MET HB2 H 1 2.101 0.001 . . . . . A 105 MET HB2 . 30209 1 1231 . 1 1 105 105 MET HB3 H 1 1.965 0.001 . . . . . A 105 MET HB3 . 30209 1 1232 . 1 1 105 105 MET HG2 H 1 2.812 0.001 . . . . . A 105 MET HG2 . 30209 1 1233 . 1 1 105 105 MET HG3 H 1 2.563 0.003 . . . . . A 105 MET HG3 . 30209 1 1234 . 1 1 105 105 MET C C 13 176.650 0.000 . . . . . A 105 MET C . 30209 1 1235 . 1 1 105 105 MET CA C 13 56.376 0.004 . . . . . A 105 MET CA . 30209 1 1236 . 1 1 105 105 MET CB C 13 33.960 0.012 . . . . . A 105 MET CB . 30209 1 1237 . 1 1 105 105 MET CG C 13 32.067 0.004 . . . . . A 105 MET CG . 30209 1 1238 . 1 1 105 105 MET N N 15 115.093 0.000 . . . . . A 105 MET N . 30209 1 1239 . 1 1 106 106 LEU H H 1 7.411 0.001 . . . . . A 106 LEU H . 30209 1 1240 . 1 1 106 106 LEU HA H 1 4.459 0.001 . . . . . A 106 LEU HA . 30209 1 1241 . 1 1 106 106 LEU HB2 H 1 2.102 0.003 . . . . . A 106 LEU HB2 . 30209 1 1242 . 1 1 106 106 LEU HB3 H 1 1.253 0.001 . . . . . A 106 LEU HB3 . 30209 1 1243 . 1 1 106 106 LEU HG H 1 0.911 0.000 . . . . . A 106 LEU HG . 30209 1 1244 . 1 1 106 106 LEU HD11 H 1 0.823 0.000 . . . . . A 106 LEU HD11 . 30209 1 1245 . 1 1 106 106 LEU HD12 H 1 0.823 0.000 . . . . . A 106 LEU HD12 . 30209 1 1246 . 1 1 106 106 LEU HD13 H 1 0.823 0.000 . . . . . A 106 LEU HD13 . 30209 1 1247 . 1 1 106 106 LEU CA C 13 59.114 0.000 . . . . . A 106 LEU CA . 30209 1 1248 . 1 1 106 106 LEU CB C 13 40.937 0.004 . . . . . A 106 LEU CB . 30209 1 1249 . 1 1 106 106 LEU CG C 13 26.155 0.000 . . . . . A 106 LEU CG . 30209 1 1250 . 1 1 106 106 LEU CD1 C 13 24.322 0.000 . . . . . A 106 LEU CD1 . 30209 1 1251 . 1 1 106 106 LEU N N 15 119.692 0.001 . . . . . A 106 LEU N . 30209 1 1252 . 1 1 107 107 PRO HA H 1 3.857 0.001 . . . . . A 107 PRO HA . 30209 1 1253 . 1 1 107 107 PRO HB2 H 1 2.435 0.000 . . . . . A 107 PRO HB2 . 30209 1 1254 . 1 1 107 107 PRO HB3 H 1 2.178 0.001 . . . . . A 107 PRO HB3 . 30209 1 1255 . 1 1 107 107 PRO HG2 H 1 1.537 0.001 . . . . . A 107 PRO HG2 . 30209 1 1256 . 1 1 107 107 PRO HG3 H 1 2.178 0.000 . . . . . A 107 PRO HG3 . 30209 1 1257 . 1 1 107 107 PRO HD2 H 1 3.610 0.001 . . . . . A 107 PRO HD2 . 30209 1 1258 . 1 1 107 107 PRO HD3 H 1 3.767 0.000 . . . . . A 107 PRO HD3 . 30209 1 1259 . 1 1 107 107 PRO C C 13 178.240 0.000 . . . . . A 107 PRO C . 30209 1 1260 . 1 1 107 107 PRO CA C 13 67.158 0.003 . . . . . A 107 PRO CA . 30209 1 1261 . 1 1 107 107 PRO CB C 13 31.077 0.008 . . . . . A 107 PRO CB . 30209 1 1262 . 1 1 107 107 PRO CG C 13 29.400 0.008 . . . . . A 107 PRO CG . 30209 1 1263 . 1 1 107 107 PRO CD C 13 50.264 0.001 . . . . . A 107 PRO CD . 30209 1 1264 . 1 1 108 108 ASN H H 1 7.726 0.000 . . . . . A 108 ASN H . 30209 1 1265 . 1 1 108 108 ASN HA H 1 4.576 0.001 . . . . . A 108 ASN HA . 30209 1 1266 . 1 1 108 108 ASN HB2 H 1 2.785 0.001 . . . . . A 108 ASN HB2 . 30209 1 1267 . 1 1 108 108 ASN HB3 H 1 2.891 0.001 . . . . . A 108 ASN HB3 . 30209 1 1268 . 1 1 108 108 ASN C C 13 178.878 0.000 . . . . . A 108 ASN C . 30209 1 1269 . 1 1 108 108 ASN CA C 13 56.079 0.035 . . . . . A 108 ASN CA . 30209 1 1270 . 1 1 108 108 ASN CB C 13 39.017 0.017 . . . . . A 108 ASN CB . 30209 1 1271 . 1 1 108 108 ASN N N 15 113.917 0.000 . . . . . A 108 ASN N . 30209 1 1272 . 1 1 109 109 GLN H H 1 8.353 0.002 . . . . . A 109 GLN H . 30209 1 1273 . 1 1 109 109 GLN HA H 1 3.921 0.001 . . . . . A 109 GLN HA . 30209 1 1274 . 1 1 109 109 GLN HB2 H 1 1.748 0.000 . . . . . A 109 GLN HB2 . 30209 1 1275 . 1 1 109 109 GLN HB3 H 1 2.302 0.005 . . . . . A 109 GLN HB3 . 30209 1 1276 . 1 1 109 109 GLN HG2 H 1 2.431 0.001 . . . . . A 109 GLN HG2 . 30209 1 1277 . 1 1 109 109 GLN HG3 H 1 2.431 0.001 . . . . . A 109 GLN HG3 . 30209 1 1278 . 1 1 109 109 GLN C C 13 178.393 0.000 . . . . . A 109 GLN C . 30209 1 1279 . 1 1 109 109 GLN CA C 13 59.060 0.029 . . . . . A 109 GLN CA . 30209 1 1280 . 1 1 109 109 GLN CB C 13 29.134 0.031 . . . . . A 109 GLN CB . 30209 1 1281 . 1 1 109 109 GLN CG C 13 34.620 0.003 . . . . . A 109 GLN CG . 30209 1 1282 . 1 1 109 109 GLN N N 15 119.131 0.000 . . . . . A 109 GLN N . 30209 1 1283 . 1 1 110 110 CYS H H 1 8.386 0.002 . . . . . A 110 CYS H . 30209 1 1284 . 1 1 110 110 CYS HA H 1 4.839 0.001 . . . . . A 110 CYS HA . 30209 1 1285 . 1 1 110 110 CYS HB2 H 1 3.225 0.001 . . . . . A 110 CYS HB2 . 30209 1 1286 . 1 1 110 110 CYS HB3 H 1 2.318 0.001 . . . . . A 110 CYS HB3 . 30209 1 1287 . 1 1 110 110 CYS C C 13 174.130 0.000 . . . . . A 110 CYS C . 30209 1 1288 . 1 1 110 110 CYS CA C 13 50.916 0.020 . . . . . A 110 CYS CA . 30209 1 1289 . 1 1 110 110 CYS CB C 13 34.432 0.015 . . . . . A 110 CYS CB . 30209 1 1290 . 1 1 110 110 CYS N N 15 111.988 0.000 . . . . . A 110 CYS N . 30209 1 1291 . 1 1 111 111 ASN H H 1 7.670 0.002 . . . . . A 111 ASN H . 30209 1 1292 . 1 1 111 111 ASN HA H 1 4.388 0.001 . . . . . A 111 ASN HA . 30209 1 1293 . 1 1 111 111 ASN HB2 H 1 3.056 0.000 . . . . . A 111 ASN HB2 . 30209 1 1294 . 1 1 111 111 ASN HB3 H 1 2.634 0.000 . . . . . A 111 ASN HB3 . 30209 1 1295 . 1 1 111 111 ASN C C 13 174.227 0.000 . . . . . A 111 ASN C . 30209 1 1296 . 1 1 111 111 ASN CA C 13 54.533 0.010 . . . . . A 111 ASN CA . 30209 1 1297 . 1 1 111 111 ASN CB C 13 36.794 0.017 . . . . . A 111 ASN CB . 30209 1 1298 . 1 1 111 111 ASN N N 15 117.418 0.000 . . . . . A 111 ASN N . 30209 1 1299 . 1 1 112 112 LEU H H 1 8.861 0.003 . . . . . A 112 LEU H . 30209 1 1300 . 1 1 112 112 LEU HA H 1 4.532 0.001 . . . . . A 112 LEU HA . 30209 1 1301 . 1 1 112 112 LEU HB2 H 1 1.635 0.000 . . . . . A 112 LEU HB2 . 30209 1 1302 . 1 1 112 112 LEU HB3 H 1 1.521 0.000 . . . . . A 112 LEU HB3 . 30209 1 1303 . 1 1 112 112 LEU HG H 1 1.499 0.000 . . . . . A 112 LEU HG . 30209 1 1304 . 1 1 112 112 LEU HD11 H 1 0.621 0.003 . . . . . A 112 LEU HD11 . 30209 1 1305 . 1 1 112 112 LEU HD12 H 1 0.621 0.003 . . . . . A 112 LEU HD12 . 30209 1 1306 . 1 1 112 112 LEU HD13 H 1 0.621 0.003 . . . . . A 112 LEU HD13 . 30209 1 1307 . 1 1 112 112 LEU HD21 H 1 0.620 0.004 . . . . . A 112 LEU HD21 . 30209 1 1308 . 1 1 112 112 LEU HD22 H 1 0.620 0.004 . . . . . A 112 LEU HD22 . 30209 1 1309 . 1 1 112 112 LEU HD23 H 1 0.620 0.004 . . . . . A 112 LEU HD23 . 30209 1 1310 . 1 1 112 112 LEU C C 13 177.421 0.000 . . . . . A 112 LEU C . 30209 1 1311 . 1 1 112 112 LEU CA C 13 53.601 0.020 . . . . . A 112 LEU CA . 30209 1 1312 . 1 1 112 112 LEU CB C 13 42.745 0.041 . . . . . A 112 LEU CB . 30209 1 1313 . 1 1 112 112 LEU CG C 13 27.041 0.002 . . . . . A 112 LEU CG . 30209 1 1314 . 1 1 112 112 LEU CD1 C 13 21.773 0.048 . . . . . A 112 LEU CD1 . 30209 1 1315 . 1 1 112 112 LEU CD2 C 13 21.779 0.000 . . . . . A 112 LEU CD2 . 30209 1 1316 . 1 1 112 112 LEU N N 15 116.729 0.000 . . . . . A 112 LEU N . 30209 1 1317 . 1 1 113 113 GLN H H 1 8.686 0.002 . . . . . A 113 GLN H . 30209 1 1318 . 1 1 113 113 GLN HA H 1 4.368 0.000 . . . . . A 113 GLN HA . 30209 1 1319 . 1 1 113 113 GLN HB2 H 1 2.098 0.001 . . . . . A 113 GLN HB2 . 30209 1 1320 . 1 1 113 113 GLN HB3 H 1 1.825 0.001 . . . . . A 113 GLN HB3 . 30209 1 1321 . 1 1 113 113 GLN HG2 H 1 2.244 0.000 . . . . . A 113 GLN HG2 . 30209 1 1322 . 1 1 113 113 GLN HG3 H 1 2.244 0.000 . . . . . A 113 GLN HG3 . 30209 1 1323 . 1 1 113 113 GLN C C 13 174.858 0.000 . . . . . A 113 GLN C . 30209 1 1324 . 1 1 113 113 GLN CA C 13 55.291 0.018 . . . . . A 113 GLN CA . 30209 1 1325 . 1 1 113 113 GLN CB C 13 27.842 0.015 . . . . . A 113 GLN CB . 30209 1 1326 . 1 1 113 113 GLN CG C 13 34.268 0.004 . . . . . A 113 GLN CG . 30209 1 1327 . 1 1 113 113 GLN N N 15 120.896 0.000 . . . . . A 113 GLN N . 30209 1 1328 . 1 1 114 114 CYS H H 1 7.448 0.001 . . . . . A 114 CYS H . 30209 1 1329 . 1 1 114 114 CYS HA H 1 4.833 0.001 . . . . . A 114 CYS HA . 30209 1 1330 . 1 1 114 114 CYS HB2 H 1 3.195 0.001 . . . . . A 114 CYS HB2 . 30209 1 1331 . 1 1 114 114 CYS HB3 H 1 3.059 0.000 . . . . . A 114 CYS HB3 . 30209 1 1332 . 1 1 114 114 CYS C C 13 171.792 0.000 . . . . . A 114 CYS C . 30209 1 1333 . 1 1 114 114 CYS CA C 13 53.495 0.021 . . . . . A 114 CYS CA . 30209 1 1334 . 1 1 114 114 CYS CB C 13 43.133 0.007 . . . . . A 114 CYS CB . 30209 1 1335 . 1 1 114 114 CYS N N 15 115.876 0.002 . . . . . A 114 CYS N . 30209 1 1336 . 1 1 115 115 SER H H 1 8.335 0.000 . . . . . A 115 SER H . 30209 1 1337 . 1 1 115 115 SER HA H 1 4.604 0.002 . . . . . A 115 SER HA . 30209 1 1338 . 1 1 115 115 SER HB2 H 1 3.686 0.000 . . . . . A 115 SER HB2 . 30209 1 1339 . 1 1 115 115 SER HB3 H 1 3.724 0.012 . . . . . A 115 SER HB3 . 30209 1 1340 . 1 1 115 115 SER C C 13 173.045 0.000 . . . . . A 115 SER C . 30209 1 1341 . 1 1 115 115 SER CA C 13 57.274 0.052 . . . . . A 115 SER CA . 30209 1 1342 . 1 1 115 115 SER CB C 13 65.395 0.011 . . . . . A 115 SER CB . 30209 1 1343 . 1 1 115 115 SER N N 15 115.657 0.000 . . . . . A 115 SER N . 30209 1 1344 . 1 1 116 116 ILE H H 1 7.836 0.005 . . . . . A 116 ILE H . 30209 1 1345 . 1 1 116 116 ILE HA H 1 4.034 0.000 . . . . . A 116 ILE HA . 30209 1 1346 . 1 1 116 116 ILE HB H 1 1.745 0.001 . . . . . A 116 ILE HB . 30209 1 1347 . 1 1 116 116 ILE HG12 H 1 0.970 0.000 . . . . . A 116 ILE HG12 . 30209 1 1348 . 1 1 116 116 ILE HG13 H 1 1.332 0.000 . . . . . A 116 ILE HG13 . 30209 1 1349 . 1 1 116 116 ILE HD11 H 1 0.735 0.000 . . . . . A 116 ILE HD11 . 30209 1 1350 . 1 1 116 116 ILE HD12 H 1 0.735 0.000 . . . . . A 116 ILE HD12 . 30209 1 1351 . 1 1 116 116 ILE HD13 H 1 0.735 0.000 . . . . . A 116 ILE HD13 . 30209 1 1352 . 1 1 116 116 ILE CA C 13 62.669 0.001 . . . . . A 116 ILE CA . 30209 1 1353 . 1 1 116 116 ILE CB C 13 39.556 0.008 . . . . . A 116 ILE CB . 30209 1 1354 . 1 1 116 116 ILE CG1 C 13 27.468 0.000 . . . . . A 116 ILE CG1 . 30209 1 1355 . 1 1 116 116 ILE CD1 C 13 18.477 0.000 . . . . . A 116 ILE CD1 . 30209 1 1356 . 1 1 116 116 ILE N N 15 125.001 0.000 . . . . . A 116 ILE N . 30209 1 stop_ save_