data_36045 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36045 _Entry.Title ; Solution structure of E.coli HdeA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-14 _Entry.Accession_date 2018-01-18 _Entry.Last_release_date 2018-01-18 _Entry.Original_release_date 2018-01-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 C. Yang C. . . . 36045 2 Y. Hu Y. . . . 36045 3 C. Jin C. . . . 36045 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 36045 'periplasmic protein' . 36045 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36045 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 345 36045 '15N chemical shifts' 92 36045 '1H chemical shifts' 547 36045 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-07-10 . original BMRB . 36045 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5WYO 'BMRB Entry Tracking System' 36045 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36045 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.7b00724 _Citation.PubMed_ID 29016106 _Citation.Full_citation . _Citation.Title ; Characterizations of the Interactions between Escherichia coli Periplasmic Chaperone HdeA and Its Native Substrates during Acid Stress ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 56 _Citation.Journal_issue 43 _Citation.Journal_ASTM BICHAW _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0033 _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 5748 _Citation.Page_last 5757 _Citation.Year 2017 _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 X. Yu X. C. . . 36045 1 2 C. Yang C. . . . 36045 1 3 J. Ding J. . . . 36045 1 4 X. Niu X. . . . 36045 1 5 Y. Hu Y. . . . 36045 1 6 C. Jin C. . . . 36045 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36045 _Assembly.ID 1 _Assembly.Name 'Acid stress chaperone HdeA' _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 . . . . . . 36045 1 2 entity_2 1 $entity_1 B B yes . . . . . . 36045 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 entity_1 1 CYS 18 18 SG . 1 entity_1 1 CYS 66 66 SG . . . 18 CYS . . . . 66 CYS . 36045 1 2 disulfide single . 2 entity_2 1 CYS 18 18 SG . 2 entity_2 1 CYS 66 66 SG . . . 107 CYS . . . . 155 CYS . 36045 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 18 18 HG . 18 . . 36045 1 2 . 1 1 CYS 66 66 HG . 66 . . 36045 1 3 . 2 1 CYS 18 18 HG . 107 . . 36045 1 4 . 2 1 CYS 66 66 HG . 155 . . 36045 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36045 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Acid stress chaperone HdeA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADAQKAADNKKPVNSWTCED FLAVDESFQPTAVGFAEALN NKDKPEDAVLDVQGIATVTP AIVQACTQDKQANFKDKVKG EWDKIKKDM ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9752.882 _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 1 ALA . 36045 1 2 2 ASP . 36045 1 3 3 ALA . 36045 1 4 4 GLN . 36045 1 5 5 LYS . 36045 1 6 6 ALA . 36045 1 7 7 ALA . 36045 1 8 8 ASP . 36045 1 9 9 ASN . 36045 1 10 10 LYS . 36045 1 11 11 LYS . 36045 1 12 12 PRO . 36045 1 13 13 VAL . 36045 1 14 14 ASN . 36045 1 15 15 SER . 36045 1 16 16 TRP . 36045 1 17 17 THR . 36045 1 18 18 CYS . 36045 1 19 19 GLU . 36045 1 20 20 ASP . 36045 1 21 21 PHE . 36045 1 22 22 LEU . 36045 1 23 23 ALA . 36045 1 24 24 VAL . 36045 1 25 25 ASP . 36045 1 26 26 GLU . 36045 1 27 27 SER . 36045 1 28 28 PHE . 36045 1 29 29 GLN . 36045 1 30 30 PRO . 36045 1 31 31 THR . 36045 1 32 32 ALA . 36045 1 33 33 VAL . 36045 1 34 34 GLY . 36045 1 35 35 PHE . 36045 1 36 36 ALA . 36045 1 37 37 GLU . 36045 1 38 38 ALA . 36045 1 39 39 LEU . 36045 1 40 40 ASN . 36045 1 41 41 ASN . 36045 1 42 42 LYS . 36045 1 43 43 ASP . 36045 1 44 44 LYS . 36045 1 45 45 PRO . 36045 1 46 46 GLU . 36045 1 47 47 ASP . 36045 1 48 48 ALA . 36045 1 49 49 VAL . 36045 1 50 50 LEU . 36045 1 51 51 ASP . 36045 1 52 52 VAL . 36045 1 53 53 GLN . 36045 1 54 54 GLY . 36045 1 55 55 ILE . 36045 1 56 56 ALA . 36045 1 57 57 THR . 36045 1 58 58 VAL . 36045 1 59 59 THR . 36045 1 60 60 PRO . 36045 1 61 61 ALA . 36045 1 62 62 ILE . 36045 1 63 63 VAL . 36045 1 64 64 GLN . 36045 1 65 65 ALA . 36045 1 66 66 CYS . 36045 1 67 67 THR . 36045 1 68 68 GLN . 36045 1 69 69 ASP . 36045 1 70 70 LYS . 36045 1 71 71 GLN . 36045 1 72 72 ALA . 36045 1 73 73 ASN . 36045 1 74 74 PHE . 36045 1 75 75 LYS . 36045 1 76 76 ASP . 36045 1 77 77 LYS . 36045 1 78 78 VAL . 36045 1 79 79 LYS . 36045 1 80 80 GLY . 36045 1 81 81 GLU . 36045 1 82 82 TRP . 36045 1 83 83 ASP . 36045 1 84 84 LYS . 36045 1 85 85 ILE . 36045 1 86 86 LYS . 36045 1 87 87 LYS . 36045 1 88 88 ASP . 36045 1 89 89 MET . 36045 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 . ALA 1 1 36045 1 . ASP 2 2 36045 1 . ALA 3 3 36045 1 . GLN 4 4 36045 1 . LYS 5 5 36045 1 . ALA 6 6 36045 1 . ALA 7 7 36045 1 . ASP 8 8 36045 1 . ASN 9 9 36045 1 . LYS 10 10 36045 1 . LYS 11 11 36045 1 . PRO 12 12 36045 1 . VAL 13 13 36045 1 . ASN 14 14 36045 1 . SER 15 15 36045 1 . TRP 16 16 36045 1 . THR 17 17 36045 1 . CYS 18 18 36045 1 . GLU 19 19 36045 1 . ASP 20 20 36045 1 . PHE 21 21 36045 1 . LEU 22 22 36045 1 . ALA 23 23 36045 1 . VAL 24 24 36045 1 . ASP 25 25 36045 1 . GLU 26 26 36045 1 . SER 27 27 36045 1 . PHE 28 28 36045 1 . GLN 29 29 36045 1 . PRO 30 30 36045 1 . THR 31 31 36045 1 . ALA 32 32 36045 1 . VAL 33 33 36045 1 . GLY 34 34 36045 1 . PHE 35 35 36045 1 . ALA 36 36 36045 1 . GLU 37 37 36045 1 . ALA 38 38 36045 1 . LEU 39 39 36045 1 . ASN 40 40 36045 1 . ASN 41 41 36045 1 . LYS 42 42 36045 1 . ASP 43 43 36045 1 . LYS 44 44 36045 1 . PRO 45 45 36045 1 . GLU 46 46 36045 1 . ASP 47 47 36045 1 . ALA 48 48 36045 1 . VAL 49 49 36045 1 . LEU 50 50 36045 1 . ASP 51 51 36045 1 . VAL 52 52 36045 1 . GLN 53 53 36045 1 . GLY 54 54 36045 1 . ILE 55 55 36045 1 . ALA 56 56 36045 1 . THR 57 57 36045 1 . VAL 58 58 36045 1 . THR 59 59 36045 1 . PRO 60 60 36045 1 . ALA 61 61 36045 1 . ILE 62 62 36045 1 . VAL 63 63 36045 1 . GLN 64 64 36045 1 . ALA 65 65 36045 1 . CYS 66 66 36045 1 . THR 67 67 36045 1 . GLN 68 68 36045 1 . ASP 69 69 36045 1 . LYS 70 70 36045 1 . GLN 71 71 36045 1 . ALA 72 72 36045 1 . ASN 73 73 36045 1 . PHE 74 74 36045 1 . LYS 75 75 36045 1 . ASP 76 76 36045 1 . LYS 77 77 36045 1 . VAL 78 78 36045 1 . LYS 79 79 36045 1 . GLY 80 80 36045 1 . GLU 81 81 36045 1 . TRP 82 82 36045 1 . ASP 83 83 36045 1 . LYS 84 84 36045 1 . ILE 85 85 36045 1 . LYS 86 86 36045 1 . LYS 87 87 36045 1 . ASP 88 88 36045 1 . MET 89 89 36045 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 36045 _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 . 83334 organism . 'Escherichia coli O157:H7' 'Escherichia coli O157:H7' . . Bacteria . Escherichia 'Escherichia coli' O157:H7 . . . . . . . . . . 'hdeA, Z4922, ECs4390' . 36045 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 36045 _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 . . . vector . . . . . . 36045 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36045 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2.0 mM [U-99% 13C; U-99% 15N] HdeA, 20 mM sodium citrate, 20 mM sodium phosphate, 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 HdeA '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 2.0 . . mM . . . . 36045 1 2 'sodium citrate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36045 1 3 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36045 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36045 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36045 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 36045 _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' 180 . mM 36045 1 pH 3.0 . pH 36045 1 pressure 1 . atm 36045 1 temperature 298 . K 36045 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36045 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36045 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36045 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36045 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36045 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36045 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36045 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36045 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36045 3 'peak picking' 36045 3 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 36045 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36045 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 36045 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36045 _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 AvanceIII . 600 . . . 36045 1 2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 36045 1 3 NMR_spectrometer_3 Bruker AvanceIII . 800 . . . 36045 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 36045 _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 . . . . . . . . . . . . . . . . 36045 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36045 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36045 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36045 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36045 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36045 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36045 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36045 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36045 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36045 1 11 '3D 13C/15N-filtered 13C-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 36045 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 36045 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 36045 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 36045 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 36045 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 36045 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36045 1 2 '3D HNCO' 1 $sample_1 isotropic 36045 1 3 '3D HNCA' 1 $sample_1 isotropic 36045 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36045 1 5 '3D HNCACB' 1 $sample_1 isotropic 36045 1 6 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36045 1 7 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36045 1 8 '3D HCCH-COSY' 1 $sample_1 isotropic 36045 1 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36045 1 10 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36045 1 11 '3D 13C/15N-filtered 13C-edited NOESY' 1 $sample_1 isotropic 36045 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.106 . . . . . . . A 1 ALA HA . 36045 1 2 . 1 1 1 1 ALA HB1 H 1 1.533 . . . . . . . A 1 ALA HB1 . 36045 1 3 . 1 1 1 1 ALA HB2 H 1 1.533 . . . . . . . A 1 ALA HB2 . 36045 1 4 . 1 1 1 1 ALA HB3 H 1 1.533 . . . . . . . A 1 ALA HB3 . 36045 1 5 . 1 1 1 1 ALA C C 13 173.632 . . . . . . . A 1 ALA C . 36045 1 6 . 1 1 1 1 ALA CA C 13 51.894 . . . . . . . A 1 ALA CA . 36045 1 7 . 1 1 1 1 ALA CB C 13 19.341 . . . . . . . A 1 ALA CB . 36045 1 8 . 1 1 2 2 ASP H H 1 8.763 . . . . . . . A 2 ASP H . 36045 1 9 . 1 1 2 2 ASP HA H 1 4.702 . . . . . . . A 2 ASP HA . 36045 1 10 . 1 1 2 2 ASP HB2 H 1 2.748 . . . . . . . A 2 ASP HB2 . 36045 1 11 . 1 1 2 2 ASP HB3 H 1 2.858 . . . . . . . A 2 ASP HB3 . 36045 1 12 . 1 1 2 2 ASP C C 13 175.339 . . . . . . . A 2 ASP C . 36045 1 13 . 1 1 2 2 ASP CA C 13 53.583 . . . . . . . A 2 ASP CA . 36045 1 14 . 1 1 2 2 ASP CB C 13 39.508 . . . . . . . A 2 ASP CB . 36045 1 15 . 1 1 2 2 ASP N N 15 120.530 . . . . . . . A 2 ASP N . 36045 1 16 . 1 1 3 3 ALA H H 1 8.518 . . . . . . . A 3 ALA H . 36045 1 17 . 1 1 3 3 ALA HA H 1 4.293 . . . . . . . A 3 ALA HA . 36045 1 18 . 1 1 3 3 ALA HB1 H 1 1.400 . . . . . . . A 3 ALA HB1 . 36045 1 19 . 1 1 3 3 ALA HB2 H 1 1.400 . . . . . . . A 3 ALA HB2 . 36045 1 20 . 1 1 3 3 ALA HB3 H 1 1.400 . . . . . . . A 3 ALA HB3 . 36045 1 21 . 1 1 3 3 ALA C C 13 177.977 . . . . . . . A 3 ALA C . 36045 1 22 . 1 1 3 3 ALA CA C 13 53.126 . . . . . . . A 3 ALA CA . 36045 1 23 . 1 1 3 3 ALA CB C 13 19.200 . . . . . . . A 3 ALA CB . 36045 1 24 . 1 1 3 3 ALA N N 15 126.117 . . . . . . . A 3 ALA N . 36045 1 25 . 1 1 4 4 GLN H H 1 8.336 . . . . . . . A 4 GLN H . 36045 1 26 . 1 1 4 4 GLN HA H 1 4.260 . . . . . . . A 4 GLN HA . 36045 1 27 . 1 1 4 4 GLN HB2 H 1 1.999 . . . . . . . A 4 GLN HB2 . 36045 1 28 . 1 1 4 4 GLN HB3 H 1 2.072 . . . . . . . A 4 GLN HB3 . 36045 1 29 . 1 1 4 4 GLN HG2 H 1 2.515 . . . . . . . A 4 GLN HG2 . 36045 1 30 . 1 1 4 4 GLN HG3 H 1 2.360 . . . . . . . A 4 GLN HG3 . 36045 1 31 . 1 1 4 4 GLN HE21 H 1 7.536 . . . . . . . A 4 GLN HE21 . 36045 1 32 . 1 1 4 4 GLN HE22 H 1 6.870 . . . . . . . A 4 GLN HE22 . 36045 1 33 . 1 1 4 4 GLN C C 13 176.231 . . . . . . . A 4 GLN C . 36045 1 34 . 1 1 4 4 GLN CA C 13 56.343 . . . . . . . A 4 GLN CA . 36045 1 35 . 1 1 4 4 GLN CB C 13 29.260 . . . . . . . A 4 GLN CB . 36045 1 36 . 1 1 4 4 GLN CG C 13 33.989 . . . . . . . A 4 GLN CG . 36045 1 37 . 1 1 4 4 GLN N N 15 119.990 . . . . . . . A 4 GLN N . 36045 1 38 . 1 1 4 4 GLN NE2 N 15 113.358 . . . . . . . A 4 GLN NE2 . 36045 1 39 . 1 1 5 5 LYS H H 1 8.211 . . . . . . . A 5 LYS H . 36045 1 40 . 1 1 5 5 LYS HA H 1 4.249 . . . . . . . A 5 LYS HA . 36045 1 41 . 1 1 5 5 LYS HB2 H 1 1.743 . . . . . . . A 5 LYS HB2 . 36045 1 42 . 1 1 5 5 LYS HB3 H 1 1.812 . . . . . . . A 5 LYS HB3 . 36045 1 43 . 1 1 5 5 LYS HG2 H 1 1.483 . . . . . . . A 5 LYS HG2 . 36045 1 44 . 1 1 5 5 LYS HG3 H 1 1.404 . . . . . . . A 5 LYS HG3 . 36045 1 45 . 1 1 5 5 LYS HD2 H 1 1.642 . . . . . . . A 5 LYS HD2 . 36045 1 46 . 1 1 5 5 LYS HD3 H 1 1.670 . . . . . . . A 5 LYS HD3 . 36045 1 47 . 1 1 5 5 LYS HE3 H 1 2.997 . . . . . . . A 5 LYS HE3 . 36045 1 48 . 1 1 5 5 LYS C C 13 176.541 . . . . . . . A 5 LYS C . 36045 1 49 . 1 1 5 5 LYS CA C 13 56.527 . . . . . . . A 5 LYS CA . 36045 1 50 . 1 1 5 5 LYS CB C 13 32.962 . . . . . . . A 5 LYS CB . 36045 1 51 . 1 1 5 5 LYS CG C 13 24.936 . . . . . . . A 5 LYS CG . 36045 1 52 . 1 1 5 5 LYS CD C 13 29.159 . . . . . . . A 5 LYS CD . 36045 1 53 . 1 1 5 5 LYS CE C 13 42.231 . . . . . . . A 5 LYS CE . 36045 1 54 . 1 1 5 5 LYS N N 15 123.063 . . . . . . . A 5 LYS N . 36045 1 55 . 1 1 6 6 ALA H H 1 8.220 . . . . . . . A 6 ALA H . 36045 1 56 . 1 1 6 6 ALA HA H 1 4.260 . . . . . . . A 6 ALA HA . 36045 1 57 . 1 1 6 6 ALA HB1 H 1 1.345 . . . . . . . A 6 ALA HB1 . 36045 1 58 . 1 1 6 6 ALA HB2 H 1 1.345 . . . . . . . A 6 ALA HB2 . 36045 1 59 . 1 1 6 6 ALA HB3 H 1 1.345 . . . . . . . A 6 ALA HB3 . 36045 1 60 . 1 1 6 6 ALA C C 13 177.666 . . . . . . . A 6 ALA C . 36045 1 61 . 1 1 6 6 ALA CA C 13 52.697 . . . . . . . A 6 ALA CA . 36045 1 62 . 1 1 6 6 ALA CB C 13 19.222 . . . . . . . A 6 ALA CB . 36045 1 63 . 1 1 6 6 ALA N N 15 125.533 . . . . . . . A 6 ALA N . 36045 1 64 . 1 1 7 7 ALA H H 1 8.201 . . . . . . . A 7 ALA H . 36045 1 65 . 1 1 7 7 ALA HA H 1 4.238 . . . . . . . A 7 ALA HA . 36045 1 66 . 1 1 7 7 ALA HB1 H 1 1.345 . . . . . . . A 7 ALA HB1 . 36045 1 67 . 1 1 7 7 ALA HB2 H 1 1.345 . . . . . . . A 7 ALA HB2 . 36045 1 68 . 1 1 7 7 ALA HB3 H 1 1.345 . . . . . . . A 7 ALA HB3 . 36045 1 69 . 1 1 7 7 ALA C C 13 177.821 . . . . . . . A 7 ALA C . 36045 1 70 . 1 1 7 7 ALA CA C 13 52.738 . . . . . . . A 7 ALA CA . 36045 1 71 . 1 1 7 7 ALA CB C 13 19.300 . . . . . . . A 7 ALA CB . 36045 1 72 . 1 1 7 7 ALA N N 15 123.752 . . . . . . . A 7 ALA N . 36045 1 73 . 1 1 8 8 ASP H H 1 8.300 . . . . . . . A 8 ASP H . 36045 1 74 . 1 1 8 8 ASP HA H 1 4.602 . . . . . . . A 8 ASP HA . 36045 1 75 . 1 1 8 8 ASP HB2 H 1 2.881 . . . . . . . A 8 ASP HB2 . 36045 1 76 . 1 1 8 8 ASP HB3 H 1 2.770 . . . . . . . A 8 ASP HB3 . 36045 1 77 . 1 1 8 8 ASP C C 13 175.184 . . . . . . . A 8 ASP C . 36045 1 78 . 1 1 8 8 ASP CA C 13 53.598 . . . . . . . A 8 ASP CA . 36045 1 79 . 1 1 8 8 ASP CB C 13 38.731 . . . . . . . A 8 ASP CB . 36045 1 80 . 1 1 8 8 ASP N N 15 119.094 . . . . . . . A 8 ASP N . 36045 1 81 . 1 1 9 9 ASN H H 1 8.376 . . . . . . . A 9 ASN H . 36045 1 82 . 1 1 9 9 ASN HA H 1 4.669 . . . . . . . A 9 ASN HA . 36045 1 83 . 1 1 9 9 ASN HB2 H 1 2.748 . . . . . . . A 9 ASN HB2 . 36045 1 84 . 1 1 9 9 ASN HB3 H 1 2.902 . . . . . . . A 9 ASN HB3 . 36045 1 85 . 1 1 9 9 ASN HD21 H 1 7.279 . . . . . . . A 9 ASN HD21 . 36045 1 86 . 1 1 9 9 ASN HD22 H 1 6.342 . . . . . . . A 9 ASN HD22 . 36045 1 87 . 1 1 9 9 ASN C C 13 175.416 . . . . . . . A 9 ASN C . 36045 1 88 . 1 1 9 9 ASN CA C 13 53.611 . . . . . . . A 9 ASN CA . 36045 1 89 . 1 1 9 9 ASN CB C 13 38.600 . . . . . . . A 9 ASN CB . 36045 1 90 . 1 1 9 9 ASN N N 15 120.032 . . . . . . . A 9 ASN N . 36045 1 91 . 1 1 9 9 ASN ND2 N 15 111.375 . . . . . . . A 9 ASN ND2 . 36045 1 92 . 1 1 10 10 LYS H H 1 8.280 . . . . . . . A 10 LYS H . 36045 1 93 . 1 1 10 10 LYS HA H 1 4.404 . . . . . . . A 10 LYS HA . 36045 1 94 . 1 1 10 10 LYS HB2 H 1 1.765 . . . . . . . A 10 LYS HB2 . 36045 1 95 . 1 1 10 10 LYS HB3 H 1 1.975 . . . . . . . A 10 LYS HB3 . 36045 1 96 . 1 1 10 10 LYS HG2 H 1 1.401 . . . . . . . A 10 LYS HG2 . 36045 1 97 . 1 1 10 10 LYS HG3 H 1 1.482 . . . . . . . A 10 LYS HG3 . 36045 1 98 . 1 1 10 10 LYS HD2 H 1 1.684 . . . . . . . A 10 LYS HD2 . 36045 1 99 . 1 1 10 10 LYS HD3 H 1 1.636 . . . . . . . A 10 LYS HD3 . 36045 1 100 . 1 1 10 10 LYS HE3 H 1 3.013 . . . . . . . A 10 LYS HE3 . 36045 1 101 . 1 1 10 10 LYS C C 13 175.804 . . . . . . . A 10 LYS C . 36045 1 102 . 1 1 10 10 LYS CA C 13 56.000 . . . . . . . A 10 LYS CA . 36045 1 103 . 1 1 10 10 LYS CB C 13 32.859 . . . . . . . A 10 LYS CB . 36045 1 104 . 1 1 10 10 LYS CG C 13 25.017 . . . . . . . A 10 LYS CG . 36045 1 105 . 1 1 10 10 LYS CD C 13 29.042 . . . . . . . A 10 LYS CD . 36045 1 106 . 1 1 10 10 LYS CE C 13 42.294 . . . . . . . A 10 LYS CE . 36045 1 107 . 1 1 10 10 LYS N N 15 121.853 . . . . . . . A 10 LYS N . 36045 1 108 . 1 1 11 11 LYS H H 1 8.157 . . . . . . . A 11 LYS H . 36045 1 109 . 1 1 11 11 LYS HA H 1 4.582 . . . . . . . A 11 LYS HA . 36045 1 110 . 1 1 11 11 LYS HB3 H 1 1.881 . . . . . . . A 11 LYS HB3 . 36045 1 111 . 1 1 11 11 LYS CA C 13 54.600 . . . . . . . A 11 LYS CA . 36045 1 112 . 1 1 11 11 LYS CB C 13 33.800 . . . . . . . A 11 LYS CB . 36045 1 113 . 1 1 11 11 LYS N N 15 123.265 . . . . . . . A 11 LYS N . 36045 1 114 . 1 1 12 12 PRO HA H 1 4.282 . . . . . . . A 12 PRO HA . 36045 1 115 . 1 1 12 12 PRO HB2 H 1 1.918 . . . . . . . A 12 PRO HB2 . 36045 1 116 . 1 1 12 12 PRO HB3 H 1 2.204 . . . . . . . A 12 PRO HB3 . 36045 1 117 . 1 1 12 12 PRO HG2 H 1 1.944 . . . . . . . A 12 PRO HG2 . 36045 1 118 . 1 1 12 12 PRO HG3 H 1 2.254 . . . . . . . A 12 PRO HG3 . 36045 1 119 . 1 1 12 12 PRO HD2 H 1 4.095 . . . . . . . A 12 PRO HD2 . 36045 1 120 . 1 1 12 12 PRO HD3 H 1 3.708 . . . . . . . A 12 PRO HD3 . 36045 1 121 . 1 1 12 12 PRO C C 13 178.132 . . . . . . . A 12 PRO C . 36045 1 122 . 1 1 12 12 PRO CA C 13 63.700 . . . . . . . A 12 PRO CA . 36045 1 123 . 1 1 12 12 PRO CB C 13 32.800 . . . . . . . A 12 PRO CB . 36045 1 124 . 1 1 12 12 PRO CG C 13 28.200 . . . . . . . A 12 PRO CG . 36045 1 125 . 1 1 12 12 PRO CD C 13 51.339 . . . . . . . A 12 PRO CD . 36045 1 126 . 1 1 13 13 VAL H H 1 7.739 . . . . . . . A 13 VAL H . 36045 1 127 . 1 1 13 13 VAL HA H 1 2.251 . . . . . . . A 13 VAL HA . 36045 1 128 . 1 1 13 13 VAL HB H 1 1.544 . . . . . . . A 13 VAL HB . 36045 1 129 . 1 1 13 13 VAL HG11 H 1 0.216 . . . . . . . A 13 VAL HG11 . 36045 1 130 . 1 1 13 13 VAL HG12 H 1 0.216 . . . . . . . A 13 VAL HG12 . 36045 1 131 . 1 1 13 13 VAL HG13 H 1 0.216 . . . . . . . A 13 VAL HG13 . 36045 1 132 . 1 1 13 13 VAL HG21 H 1 0.580 . . . . . . . A 13 VAL HG21 . 36045 1 133 . 1 1 13 13 VAL HG22 H 1 0.580 . . . . . . . A 13 VAL HG22 . 36045 1 134 . 1 1 13 13 VAL HG23 H 1 0.580 . . . . . . . A 13 VAL HG23 . 36045 1 135 . 1 1 13 13 VAL C C 13 178.054 . . . . . . . A 13 VAL C . 36045 1 136 . 1 1 13 13 VAL CA C 13 65.400 . . . . . . . A 13 VAL CA . 36045 1 137 . 1 1 13 13 VAL CB C 13 31.055 . . . . . . . A 13 VAL CB . 36045 1 138 . 1 1 13 13 VAL CG1 C 13 23.894 . . . . . . . A 13 VAL CG1 . 36045 1 139 . 1 1 13 13 VAL CG2 C 13 20.524 . . . . . . . A 13 VAL CG2 . 36045 1 140 . 1 1 13 13 VAL N N 15 125.990 . . . . . . . A 13 VAL N . 36045 1 141 . 1 1 14 14 ASN H H 1 9.879 . . . . . . . A 14 ASN H . 36045 1 142 . 1 1 14 14 ASN HA H 1 4.508 . . . . . . . A 14 ASN HA . 36045 1 143 . 1 1 14 14 ASN HB2 H 1 2.756 . . . . . . . A 14 ASN HB2 . 36045 1 144 . 1 1 14 14 ASN HB3 H 1 2.854 . . . . . . . A 14 ASN HB3 . 36045 1 145 . 1 1 14 14 ASN HD21 H 1 7.374 . . . . . . . A 14 ASN HD21 . 36045 1 146 . 1 1 14 14 ASN HD22 H 1 7.005 . . . . . . . A 14 ASN HD22 . 36045 1 147 . 1 1 14 14 ASN C C 13 176.076 . . . . . . . A 14 ASN C . 36045 1 148 . 1 1 14 14 ASN CA C 13 55.500 . . . . . . . A 14 ASN CA . 36045 1 149 . 1 1 14 14 ASN CB C 13 37.903 . . . . . . . A 14 ASN CB . 36045 1 150 . 1 1 14 14 ASN N N 15 121.623 . . . . . . . A 14 ASN N . 36045 1 151 . 1 1 14 14 ASN ND2 N 15 109.445 . . . . . . . A 14 ASN ND2 . 36045 1 152 . 1 1 15 15 SER H H 1 8.397 . . . . . . . A 15 SER H . 36045 1 153 . 1 1 15 15 SER HA H 1 4.787 . . . . . . . A 15 SER HA . 36045 1 154 . 1 1 15 15 SER HB2 H 1 4.181 . . . . . . . A 15 SER HB2 . 36045 1 155 . 1 1 15 15 SER HB3 H 1 4.078 . . . . . . . A 15 SER HB3 . 36045 1 156 . 1 1 15 15 SER C C 13 174.796 . . . . . . . A 15 SER C . 36045 1 157 . 1 1 15 15 SER CA C 13 58.426 . . . . . . . A 15 SER CA . 36045 1 158 . 1 1 15 15 SER CB C 13 64.862 . . . . . . . A 15 SER CB . 36045 1 159 . 1 1 15 15 SER N N 15 114.295 . . . . . . . A 15 SER N . 36045 1 160 . 1 1 16 16 TRP H H 1 8.174 . . . . . . . A 16 TRP H . 36045 1 161 . 1 1 16 16 TRP HA H 1 5.066 . . . . . . . A 16 TRP HA . 36045 1 162 . 1 1 16 16 TRP HB2 H 1 3.530 . . . . . . . A 16 TRP HB2 . 36045 1 163 . 1 1 16 16 TRP HB3 H 1 3.745 . . . . . . . A 16 TRP HB3 . 36045 1 164 . 1 1 16 16 TRP C C 13 179.257 . . . . . . . A 16 TRP C . 36045 1 165 . 1 1 16 16 TRP CA C 13 57.500 . . . . . . . A 16 TRP CA . 36045 1 166 . 1 1 16 16 TRP CB C 13 30.318 . . . . . . . A 16 TRP CB . 36045 1 167 . 1 1 16 16 TRP N N 15 124.000 . . . . . . . A 16 TRP N . 36045 1 168 . 1 1 17 17 THR H H 1 9.828 . . . . . . . A 17 THR H . 36045 1 169 . 1 1 17 17 THR HA H 1 5.270 . . . . . . . A 17 THR HA . 36045 1 170 . 1 1 17 17 THR HB H 1 4.862 . . . . . . . A 17 THR HB . 36045 1 171 . 1 1 17 17 THR HG21 H 1 1.416 . . . . . . . A 17 THR HG21 . 36045 1 172 . 1 1 17 17 THR HG22 H 1 1.416 . . . . . . . A 17 THR HG22 . 36045 1 173 . 1 1 17 17 THR HG23 H 1 1.416 . . . . . . . A 17 THR HG23 . 36045 1 174 . 1 1 17 17 THR C C 13 177.977 . . . . . . . A 17 THR C . 36045 1 175 . 1 1 17 17 THR CA C 13 60.458 . . . . . . . A 17 THR CA . 36045 1 176 . 1 1 17 17 THR CB C 13 72.800 . . . . . . . A 17 THR CB . 36045 1 177 . 1 1 17 17 THR CG2 C 13 22.209 . . . . . . . A 17 THR CG2 . 36045 1 178 . 1 1 17 17 THR N N 15 115.011 . . . . . . . A 17 THR N . 36045 1 179 . 1 1 18 18 CYS H H 1 9.489 . . . . . . . A 18 CYS H . 36045 1 180 . 1 1 18 18 CYS HA H 1 4.615 . . . . . . . A 18 CYS HA . 36045 1 181 . 1 1 18 18 CYS HB2 H 1 3.133 . . . . . . . A 18 CYS HB2 . 36045 1 182 . 1 1 18 18 CYS HB3 H 1 3.337 . . . . . . . A 18 CYS HB3 . 36045 1 183 . 1 1 18 18 CYS C C 13 176.309 . . . . . . . A 18 CYS C . 36045 1 184 . 1 1 18 18 CYS CA C 13 59.769 . . . . . . . A 18 CYS CA . 36045 1 185 . 1 1 18 18 CYS CB C 13 33.371 . . . . . . . A 18 CYS CB . 36045 1 186 . 1 1 18 18 CYS N N 15 122.450 . . . . . . . A 18 CYS N . 36045 1 187 . 1 1 19 19 GLU H H 1 8.618 . . . . . . . A 19 GLU H . 36045 1 188 . 1 1 19 19 GLU HA H 1 3.993 . . . . . . . A 19 GLU HA . 36045 1 189 . 1 1 19 19 GLU HB2 H 1 1.989 . . . . . . . A 19 GLU HB2 . 36045 1 190 . 1 1 19 19 GLU HB3 H 1 2.064 . . . . . . . A 19 GLU HB3 . 36045 1 191 . 1 1 19 19 GLU HG2 H 1 2.493 . . . . . . . A 19 GLU HG2 . 36045 1 192 . 1 1 19 19 GLU HG3 H 1 2.358 . . . . . . . A 19 GLU HG3 . 36045 1 193 . 1 1 19 19 GLU CA C 13 59.759 . . . . . . . A 19 GLU CA . 36045 1 194 . 1 1 19 19 GLU CB C 13 28.120 . . . . . . . A 19 GLU CB . 36045 1 195 . 1 1 19 19 GLU CG C 13 32.700 . . . . . . . A 19 GLU CG . 36045 1 196 . 1 1 19 19 GLU N N 15 121.466 . . . . . . . A 19 GLU N . 36045 1 197 . 1 1 20 20 ASP H H 1 7.473 . . . . . . . A 20 ASP H . 36045 1 198 . 1 1 20 20 ASP HA H 1 3.949 . . . . . . . A 20 ASP HA . 36045 1 199 . 1 1 20 20 ASP HB2 H 1 1.286 . . . . . . . A 20 ASP HB2 . 36045 1 200 . 1 1 20 20 ASP HB3 H 1 2.747 . . . . . . . A 20 ASP HB3 . 36045 1 201 . 1 1 20 20 ASP C C 13 178.054 . . . . . . . A 20 ASP C . 36045 1 202 . 1 1 20 20 ASP CA C 13 57.734 . . . . . . . A 20 ASP CA . 36045 1 203 . 1 1 20 20 ASP CB C 13 39.765 . . . . . . . A 20 ASP CB . 36045 1 204 . 1 1 20 20 ASP N N 15 119.611 . . . . . . . A 20 ASP N . 36045 1 205 . 1 1 21 21 PHE H H 1 7.300 . . . . . . . A 21 PHE H . 36045 1 206 . 1 1 21 21 PHE HA H 1 4.164 . . . . . . . A 21 PHE HA . 36045 1 207 . 1 1 21 21 PHE HB2 H 1 2.231 . . . . . . . A 21 PHE HB2 . 36045 1 208 . 1 1 21 21 PHE HB3 H 1 3.090 . . . . . . . A 21 PHE HB3 . 36045 1 209 . 1 1 21 21 PHE CA C 13 59.589 . . . . . . . A 21 PHE CA . 36045 1 210 . 1 1 21 21 PHE CB C 13 39.100 . . . . . . . A 21 PHE CB . 36045 1 211 . 1 1 21 21 PHE N N 15 119.608 . . . . . . . A 21 PHE N . 36045 1 212 . 1 1 22 22 LEU H H 1 8.172 . . . . . . . A 22 LEU H . 36045 1 213 . 1 1 22 22 LEU HA H 1 3.509 . . . . . . . A 22 LEU HA . 36045 1 214 . 1 1 22 22 LEU HB2 H 1 1.426 . . . . . . . A 22 LEU HB2 . 36045 1 215 . 1 1 22 22 LEU HB3 H 1 1.748 . . . . . . . A 22 LEU HB3 . 36045 1 216 . 1 1 22 22 LEU HG H 1 1.939 . . . . . . . A 22 LEU HG . 36045 1 217 . 1 1 22 22 LEU HD11 H 1 0.892 . . . . . . . A 22 LEU HD11 . 36045 1 218 . 1 1 22 22 LEU HD12 H 1 0.892 . . . . . . . A 22 LEU HD12 . 36045 1 219 . 1 1 22 22 LEU HD13 H 1 0.892 . . . . . . . A 22 LEU HD13 . 36045 1 220 . 1 1 22 22 LEU HD21 H 1 0.783 . . . . . . . A 22 LEU HD21 . 36045 1 221 . 1 1 22 22 LEU HD22 H 1 0.783 . . . . . . . A 22 LEU HD22 . 36045 1 222 . 1 1 22 22 LEU HD23 H 1 0.783 . . . . . . . A 22 LEU HD23 . 36045 1 223 . 1 1 22 22 LEU C C 13 177.007 . . . . . . . A 22 LEU C . 36045 1 224 . 1 1 22 22 LEU CA C 13 56.310 . . . . . . . A 22 LEU CA . 36045 1 225 . 1 1 22 22 LEU CB C 13 41.105 . . . . . . . A 22 LEU CB . 36045 1 226 . 1 1 22 22 LEU CG C 13 26.768 . . . . . . . A 22 LEU CG . 36045 1 227 . 1 1 22 22 LEU CD1 C 13 22.302 . . . . . . . A 22 LEU CD1 . 36045 1 228 . 1 1 22 22 LEU CD2 C 13 25.781 . . . . . . . A 22 LEU CD2 . 36045 1 229 . 1 1 22 22 LEU N N 15 118.551 . . . . . . . A 22 LEU N . 36045 1 230 . 1 1 23 23 ALA H H 1 6.998 . . . . . . . A 23 ALA H . 36045 1 231 . 1 1 23 23 ALA HA H 1 4.132 . . . . . . . A 23 ALA HA . 36045 1 232 . 1 1 23 23 ALA HB1 H 1 1.308 . . . . . . . A 23 ALA HB1 . 36045 1 233 . 1 1 23 23 ALA HB2 H 1 1.308 . . . . . . . A 23 ALA HB2 . 36045 1 234 . 1 1 23 23 ALA HB3 H 1 1.308 . . . . . . . A 23 ALA HB3 . 36045 1 235 . 1 1 23 23 ALA C C 13 178.209 . . . . . . . A 23 ALA C . 36045 1 236 . 1 1 23 23 ALA CA C 13 52.200 . . . . . . . A 23 ALA CA . 36045 1 237 . 1 1 23 23 ALA CB C 13 18.800 . . . . . . . A 23 ALA CB . 36045 1 238 . 1 1 23 23 ALA N N 15 119.195 . . . . . . . A 23 ALA N . 36045 1 239 . 1 1 24 24 VAL H H 1 7.249 . . . . . . . A 24 VAL H . 36045 1 240 . 1 1 24 24 VAL HA H 1 3.681 . . . . . . . A 24 VAL HA . 36045 1 241 . 1 1 24 24 VAL HB H 1 2.091 . . . . . . . A 24 VAL HB . 36045 1 242 . 1 1 24 24 VAL HG11 H 1 1.074 . . . . . . . A 24 VAL HG11 . 36045 1 243 . 1 1 24 24 VAL HG12 H 1 1.074 . . . . . . . A 24 VAL HG12 . 36045 1 244 . 1 1 24 24 VAL HG13 H 1 1.074 . . . . . . . A 24 VAL HG13 . 36045 1 245 . 1 1 24 24 VAL HG21 H 1 1.119 . . . . . . . A 24 VAL HG21 . 36045 1 246 . 1 1 24 24 VAL HG22 H 1 1.119 . . . . . . . A 24 VAL HG22 . 36045 1 247 . 1 1 24 24 VAL HG23 H 1 1.119 . . . . . . . A 24 VAL HG23 . 36045 1 248 . 1 1 24 24 VAL C C 13 175.533 . . . . . . . A 24 VAL C . 36045 1 249 . 1 1 24 24 VAL CA C 13 62.800 . . . . . . . A 24 VAL CA . 36045 1 250 . 1 1 24 24 VAL CB C 13 31.900 . . . . . . . A 24 VAL CB . 36045 1 251 . 1 1 24 24 VAL CG1 C 13 23.894 . . . . . . . A 24 VAL CG1 . 36045 1 252 . 1 1 24 24 VAL CG2 C 13 21.834 . . . . . . . A 24 VAL CG2 . 36045 1 253 . 1 1 24 24 VAL N N 15 122.256 . . . . . . . A 24 VAL N . 36045 1 254 . 1 1 25 25 ASP H H 1 8.605 . . . . . . . A 25 ASP H . 36045 1 255 . 1 1 25 25 ASP HA H 1 4.336 . . . . . . . A 25 ASP HA . 36045 1 256 . 1 1 25 25 ASP HB2 H 1 2.779 . . . . . . . A 25 ASP HB2 . 36045 1 257 . 1 1 25 25 ASP HB3 H 1 2.854 . . . . . . . A 25 ASP HB3 . 36045 1 258 . 1 1 25 25 ASP C C 13 177.783 . . . . . . . A 25 ASP C . 36045 1 259 . 1 1 25 25 ASP CA C 13 54.927 . . . . . . . A 25 ASP CA . 36045 1 260 . 1 1 25 25 ASP CB C 13 40.921 . . . . . . . A 25 ASP CB . 36045 1 261 . 1 1 25 25 ASP N N 15 126.121 . . . . . . . A 25 ASP N . 36045 1 262 . 1 1 26 26 GLU H H 1 8.857 . . . . . . . A 26 GLU H . 36045 1 263 . 1 1 26 26 GLU HA H 1 3.799 . . . . . . . A 26 GLU HA . 36045 1 264 . 1 1 26 26 GLU HB2 H 1 2.081 . . . . . . . A 26 GLU HB2 . 36045 1 265 . 1 1 26 26 GLU HB3 H 1 2.173 . . . . . . . A 26 GLU HB3 . 36045 1 266 . 1 1 26 26 GLU HG2 H 1 2.491 . . . . . . . A 26 GLU HG2 . 36045 1 267 . 1 1 26 26 GLU HG3 H 1 2.574 . . . . . . . A 26 GLU HG3 . 36045 1 268 . 1 1 26 26 GLU C C 13 178.946 . . . . . . . A 26 GLU C . 36045 1 269 . 1 1 26 26 GLU CA C 13 60.275 . . . . . . . A 26 GLU CA . 36045 1 270 . 1 1 26 26 GLU CB C 13 27.995 . . . . . . . A 26 GLU CB . 36045 1 271 . 1 1 26 26 GLU CG C 13 33.161 . . . . . . . A 26 GLU CG . 36045 1 272 . 1 1 26 26 GLU N N 15 125.906 . . . . . . . A 26 GLU N . 36045 1 273 . 1 1 27 27 SER H H 1 8.497 . . . . . . . A 27 SER H . 36045 1 274 . 1 1 27 27 SER HA H 1 4.110 . . . . . . . A 27 SER HA . 36045 1 275 . 1 1 27 27 SER HB3 H 1 3.649 . . . . . . . A 27 SER HB3 . 36045 1 276 . 1 1 27 27 SER C C 13 175.610 . . . . . . . A 27 SER C . 36045 1 277 . 1 1 27 27 SER CA C 13 61.186 . . . . . . . A 27 SER CA . 36045 1 278 . 1 1 27 27 SER CB C 13 62.815 . . . . . . . A 27 SER CB . 36045 1 279 . 1 1 27 27 SER N N 15 113.732 . . . . . . . A 27 SER N . 36045 1 280 . 1 1 28 28 PHE H H 1 8.278 . . . . . . . A 28 PHE H . 36045 1 281 . 1 1 28 28 PHE HA H 1 4.733 . . . . . . . A 28 PHE HA . 36045 1 282 . 1 1 28 28 PHE HB2 H 1 3.371 . . . . . . . A 28 PHE HB2 . 36045 1 283 . 1 1 28 28 PHE HB3 H 1 2.800 . . . . . . . A 28 PHE HB3 . 36045 1 284 . 1 1 28 28 PHE C C 13 174.679 . . . . . . . A 28 PHE C . 36045 1 285 . 1 1 28 28 PHE CA C 13 58.193 . . . . . . . A 28 PHE CA . 36045 1 286 . 1 1 28 28 PHE CB C 13 40.939 . . . . . . . A 28 PHE CB . 36045 1 287 . 1 1 28 28 PHE N N 15 118.805 . . . . . . . A 28 PHE N . 36045 1 288 . 1 1 29 29 GLN H H 1 7.828 . . . . . . . A 29 GLN H . 36045 1 289 . 1 1 29 29 GLN HA H 1 4.224 . . . . . . . A 29 GLN HA . 36045 1 290 . 1 1 29 29 GLN HB2 H 1 2.504 . . . . . . . A 29 GLN HB2 . 36045 1 291 . 1 1 29 29 GLN HB3 H 1 1.846 . . . . . . . A 29 GLN HB3 . 36045 1 292 . 1 1 29 29 GLN HG2 H 1 1.582 . . . . . . . A 29 GLN HG2 . 36045 1 293 . 1 1 29 29 GLN HG3 H 1 2.423 . . . . . . . A 29 GLN HG3 . 36045 1 294 . 1 1 29 29 GLN CA C 13 62.259 . . . . . . . A 29 GLN CA . 36045 1 295 . 1 1 29 29 GLN CB C 13 25.590 . . . . . . . A 29 GLN CB . 36045 1 296 . 1 1 29 29 GLN CG C 13 35.700 . . . . . . . A 29 GLN CG . 36045 1 297 . 1 1 29 29 GLN N N 15 123.580 . . . . . . . A 29 GLN N . 36045 1 298 . 1 1 30 30 PRO HA H 1 4.722 . . . . . . . A 30 PRO HA . 36045 1 299 . 1 1 30 30 PRO HB2 H 1 2.006 . . . . . . . A 30 PRO HB2 . 36045 1 300 . 1 1 30 30 PRO HB3 H 1 2.371 . . . . . . . A 30 PRO HB3 . 36045 1 301 . 1 1 30 30 PRO HG2 H 1 2.218 . . . . . . . A 30 PRO HG2 . 36045 1 302 . 1 1 30 30 PRO HG3 H 1 2.125 . . . . . . . A 30 PRO HG3 . 36045 1 303 . 1 1 30 30 PRO HD2 H 1 3.694 . . . . . . . A 30 PRO HD2 . 36045 1 304 . 1 1 30 30 PRO HD3 H 1 3.948 . . . . . . . A 30 PRO HD3 . 36045 1 305 . 1 1 30 30 PRO C C 13 178.287 . . . . . . . A 30 PRO C . 36045 1 306 . 1 1 30 30 PRO CA C 13 65.900 . . . . . . . A 30 PRO CA . 36045 1 307 . 1 1 30 30 PRO CB C 13 30.900 . . . . . . . A 30 PRO CB . 36045 1 308 . 1 1 30 30 PRO CG C 13 28.574 . . . . . . . A 30 PRO CG . 36045 1 309 . 1 1 30 30 PRO CD C 13 50.480 . . . . . . . A 30 PRO CD . 36045 1 310 . 1 1 31 31 THR H H 1 7.035 . . . . . . . A 31 THR H . 36045 1 311 . 1 1 31 31 THR HA H 1 4.529 . . . . . . . A 31 THR HA . 36045 1 312 . 1 1 31 31 THR HB H 1 4.175 . . . . . . . A 31 THR HB . 36045 1 313 . 1 1 31 31 THR HG21 H 1 1.364 . . . . . . . A 31 THR HG21 . 36045 1 314 . 1 1 31 31 THR HG22 H 1 1.364 . . . . . . . A 31 THR HG22 . 36045 1 315 . 1 1 31 31 THR HG23 H 1 1.364 . . . . . . . A 31 THR HG23 . 36045 1 316 . 1 1 31 31 THR C C 13 176.309 . . . . . . . A 31 THR C . 36045 1 317 . 1 1 31 31 THR CA C 13 67.143 . . . . . . . A 31 THR CA . 36045 1 318 . 1 1 31 31 THR CB C 13 67.920 . . . . . . . A 31 THR CB . 36045 1 319 . 1 1 31 31 THR CG2 C 13 23.145 . . . . . . . A 31 THR CG2 . 36045 1 320 . 1 1 31 31 THR N N 15 113.882 . . . . . . . A 31 THR N . 36045 1 321 . 1 1 32 32 ALA H H 1 8.302 . . . . . . . A 32 ALA H . 36045 1 322 . 1 1 32 32 ALA HA H 1 4.196 . . . . . . . A 32 ALA HA . 36045 1 323 . 1 1 32 32 ALA HB1 H 1 1.855 . . . . . . . A 32 ALA HB1 . 36045 1 324 . 1 1 32 32 ALA HB2 H 1 1.855 . . . . . . . A 32 ALA HB2 . 36045 1 325 . 1 1 32 32 ALA HB3 H 1 1.855 . . . . . . . A 32 ALA HB3 . 36045 1 326 . 1 1 32 32 ALA C C 13 178.714 . . . . . . . A 32 ALA C . 36045 1 327 . 1 1 32 32 ALA CA C 13 55.800 . . . . . . . A 32 ALA CA . 36045 1 328 . 1 1 32 32 ALA CB C 13 18.200 . . . . . . . A 32 ALA CB . 36045 1 329 . 1 1 32 32 ALA N N 15 125.320 . . . . . . . A 32 ALA N . 36045 1 330 . 1 1 33 33 VAL H H 1 8.168 . . . . . . . A 33 VAL H . 36045 1 331 . 1 1 33 33 VAL HA H 1 3.584 . . . . . . . A 33 VAL HA . 36045 1 332 . 1 1 33 33 VAL HB H 1 2.467 . . . . . . . A 33 VAL HB . 36045 1 333 . 1 1 33 33 VAL HG11 H 1 1.326 . . . . . . . A 33 VAL HG11 . 36045 1 334 . 1 1 33 33 VAL HG12 H 1 1.326 . . . . . . . A 33 VAL HG12 . 36045 1 335 . 1 1 33 33 VAL HG13 H 1 1.326 . . . . . . . A 33 VAL HG13 . 36045 1 336 . 1 1 33 33 VAL HG21 H 1 0.929 . . . . . . . A 33 VAL HG21 . 36045 1 337 . 1 1 33 33 VAL HG22 H 1 0.929 . . . . . . . A 33 VAL HG22 . 36045 1 338 . 1 1 33 33 VAL HG23 H 1 0.929 . . . . . . . A 33 VAL HG23 . 36045 1 339 . 1 1 33 33 VAL C C 13 178.015 . . . . . . . A 33 VAL C . 36045 1 340 . 1 1 33 33 VAL CA C 13 67.655 . . . . . . . A 33 VAL CA . 36045 1 341 . 1 1 33 33 VAL CB C 13 31.676 . . . . . . . A 33 VAL CB . 36045 1 342 . 1 1 33 33 VAL CG1 C 13 24.736 . . . . . . . A 33 VAL CG1 . 36045 1 343 . 1 1 33 33 VAL CG2 C 13 21.366 . . . . . . . A 33 VAL CG2 . 36045 1 344 . 1 1 33 33 VAL N N 15 118.807 . . . . . . . A 33 VAL N . 36045 1 345 . 1 1 34 34 GLY H H 1 8.978 . . . . . . . A 34 GLY H . 36045 1 346 . 1 1 34 34 GLY HA2 H 1 3.692 . . . . . . . A 34 GLY HA2 . 36045 1 347 . 1 1 34 34 GLY HA3 H 1 3.842 . . . . . . . A 34 GLY HA3 . 36045 1 348 . 1 1 34 34 GLY C C 13 174.097 . . . . . . . A 34 GLY C . 36045 1 349 . 1 1 34 34 GLY CA C 13 47.593 . . . . . . . A 34 GLY CA . 36045 1 350 . 1 1 34 34 GLY N N 15 106.221 . . . . . . . A 34 GLY N . 36045 1 351 . 1 1 35 35 PHE H H 1 8.507 . . . . . . . A 35 PHE H . 36045 1 352 . 1 1 35 35 PHE HA H 1 3.681 . . . . . . . A 35 PHE HA . 36045 1 353 . 1 1 35 35 PHE HB2 H 1 2.994 . . . . . . . A 35 PHE HB2 . 36045 1 354 . 1 1 35 35 PHE HB3 H 1 3.187 . . . . . . . A 35 PHE HB3 . 36045 1 355 . 1 1 35 35 PHE C C 13 176.658 . . . . . . . A 35 PHE C . 36045 1 356 . 1 1 35 35 PHE CA C 13 61.402 . . . . . . . A 35 PHE CA . 36045 1 357 . 1 1 35 35 PHE CB C 13 40.860 . . . . . . . A 35 PHE CB . 36045 1 358 . 1 1 35 35 PHE N N 15 123.272 . . . . . . . A 35 PHE N . 36045 1 359 . 1 1 36 36 ALA H H 1 8.075 . . . . . . . A 36 ALA H . 36045 1 360 . 1 1 36 36 ALA HA H 1 3.724 . . . . . . . A 36 ALA HA . 36045 1 361 . 1 1 36 36 ALA HB1 H 1 1.232 . . . . . . . A 36 ALA HB1 . 36045 1 362 . 1 1 36 36 ALA HB2 H 1 1.232 . . . . . . . A 36 ALA HB2 . 36045 1 363 . 1 1 36 36 ALA HB3 H 1 1.232 . . . . . . . A 36 ALA HB3 . 36045 1 364 . 1 1 36 36 ALA C C 13 179.412 . . . . . . . A 36 ALA C . 36045 1 365 . 1 1 36 36 ALA CA C 13 55.434 . . . . . . . A 36 ALA CA . 36045 1 366 . 1 1 36 36 ALA CB C 13 18.096 . . . . . . . A 36 ALA CB . 36045 1 367 . 1 1 36 36 ALA N N 15 118.800 . . . . . . . A 36 ALA N . 36045 1 368 . 1 1 37 37 GLU H H 1 8.313 . . . . . . . A 37 GLU H . 36045 1 369 . 1 1 37 37 GLU HA H 1 3.743 . . . . . . . A 37 GLU HA . 36045 1 370 . 1 1 37 37 GLU HB2 H 1 1.779 . . . . . . . A 37 GLU HB2 . 36045 1 371 . 1 1 37 37 GLU HB3 H 1 1.715 . . . . . . . A 37 GLU HB3 . 36045 1 372 . 1 1 37 37 GLU HG2 H 1 1.505 . . . . . . . A 37 GLU HG2 . 36045 1 373 . 1 1 37 37 GLU HG3 H 1 1.345 . . . . . . . A 37 GLU HG3 . 36045 1 374 . 1 1 37 37 GLU C C 13 178.403 . . . . . . . A 37 GLU C . 36045 1 375 . 1 1 37 37 GLU CA C 13 58.673 . . . . . . . A 37 GLU CA . 36045 1 376 . 1 1 37 37 GLU CB C 13 27.324 . . . . . . . A 37 GLU CB . 36045 1 377 . 1 1 37 37 GLU CG C 13 31.570 . . . . . . . A 37 GLU CG . 36045 1 378 . 1 1 37 37 GLU N N 15 117.839 . . . . . . . A 37 GLU N . 36045 1 379 . 1 1 38 38 ALA H H 1 7.928 . . . . . . . A 38 ALA H . 36045 1 380 . 1 1 38 38 ALA HA H 1 3.176 . . . . . . . A 38 ALA HA . 36045 1 381 . 1 1 38 38 ALA HB1 H 1 0.287 . . . . . . . A 38 ALA HB1 . 36045 1 382 . 1 1 38 38 ALA HB2 H 1 0.287 . . . . . . . A 38 ALA HB2 . 36045 1 383 . 1 1 38 38 ALA HB3 H 1 0.287 . . . . . . . A 38 ALA HB3 . 36045 1 384 . 1 1 38 38 ALA C C 13 179.878 . . . . . . . A 38 ALA C . 36045 1 385 . 1 1 38 38 ALA CA C 13 55.021 . . . . . . . A 38 ALA CA . 36045 1 386 . 1 1 38 38 ALA CB C 13 18.068 . . . . . . . A 38 ALA CB . 36045 1 387 . 1 1 38 38 ALA N N 15 123.070 . . . . . . . A 38 ALA N . 36045 1 388 . 1 1 39 39 LEU H H 1 7.480 . . . . . . . A 39 LEU H . 36045 1 389 . 1 1 39 39 LEU HA H 1 3.530 . . . . . . . A 39 LEU HA . 36045 1 390 . 1 1 39 39 LEU HB2 H 1 1.260 . . . . . . . A 39 LEU HB2 . 36045 1 391 . 1 1 39 39 LEU HB3 H 1 1.500 . . . . . . . A 39 LEU HB3 . 36045 1 392 . 1 1 39 39 LEU HG H 1 0.663 . . . . . . . A 39 LEU HG . 36045 1 393 . 1 1 39 39 LEU HD11 H 1 0.554 . . . . . . . A 39 LEU HD11 . 36045 1 394 . 1 1 39 39 LEU HD12 H 1 0.554 . . . . . . . A 39 LEU HD12 . 36045 1 395 . 1 1 39 39 LEU HD13 H 1 0.554 . . . . . . . A 39 LEU HD13 . 36045 1 396 . 1 1 39 39 LEU C C 13 178.365 . . . . . . . A 39 LEU C . 36045 1 397 . 1 1 39 39 LEU CA C 13 57.028 . . . . . . . A 39 LEU CA . 36045 1 398 . 1 1 39 39 LEU CB C 13 42.503 . . . . . . . A 39 LEU CB . 36045 1 399 . 1 1 39 39 LEU CG C 13 25.299 . . . . . . . A 39 LEU CG . 36045 1 400 . 1 1 39 39 LEU CD1 C 13 23.769 . . . . . . . A 39 LEU CD1 . 36045 1 401 . 1 1 39 39 LEU N N 15 115.090 . . . . . . . A 39 LEU N . 36045 1 402 . 1 1 40 40 ASN H H 1 7.212 . . . . . . . A 40 ASN H . 36045 1 403 . 1 1 40 40 ASN HA H 1 4.550 . . . . . . . A 40 ASN HA . 36045 1 404 . 1 1 40 40 ASN HB2 H 1 2.611 . . . . . . . A 40 ASN HB2 . 36045 1 405 . 1 1 40 40 ASN HB3 H 1 2.729 . . . . . . . A 40 ASN HB3 . 36045 1 406 . 1 1 40 40 ASN CA C 13 54.033 . . . . . . . A 40 ASN CA . 36045 1 407 . 1 1 40 40 ASN CB C 13 39.528 . . . . . . . A 40 ASN CB . 36045 1 408 . 1 1 40 40 ASN N N 15 114.134 . . . . . . . A 40 ASN N . 36045 1 409 . 1 1 41 41 ASN H H 1 7.480 . . . . . . . A 41 ASN H . 36045 1 410 . 1 1 41 41 ASN HA H 1 4.669 . . . . . . . A 41 ASN HA . 36045 1 411 . 1 1 41 41 ASN HB2 H 1 2.618 . . . . . . . A 41 ASN HB2 . 36045 1 412 . 1 1 41 41 ASN HB3 H 1 2.789 . . . . . . . A 41 ASN HB3 . 36045 1 413 . 1 1 41 41 ASN HD21 H 1 7.277 . . . . . . . A 41 ASN HD21 . 36045 1 414 . 1 1 41 41 ASN HD22 H 1 6.803 . . . . . . . A 41 ASN HD22 . 36045 1 415 . 1 1 41 41 ASN C C 13 175.494 . . . . . . . A 41 ASN C . 36045 1 416 . 1 1 41 41 ASN CA C 13 53.653 . . . . . . . A 41 ASN CA . 36045 1 417 . 1 1 41 41 ASN CB C 13 39.921 . . . . . . . A 41 ASN CB . 36045 1 418 . 1 1 41 41 ASN N N 15 119.505 . . . . . . . A 41 ASN N . 36045 1 419 . 1 1 41 41 ASN ND2 N 15 113.533 . . . . . . . A 41 ASN ND2 . 36045 1 420 . 1 1 42 42 LYS H H 1 7.886 . . . . . . . A 42 LYS H . 36045 1 421 . 1 1 42 42 LYS HA H 1 4.014 . . . . . . . A 42 LYS HA . 36045 1 422 . 1 1 42 42 LYS HB2 H 1 1.781 . . . . . . . A 42 LYS HB2 . 36045 1 423 . 1 1 42 42 LYS HB3 H 1 1.885 . . . . . . . A 42 LYS HB3 . 36045 1 424 . 1 1 42 42 LYS HG3 H 1 1.467 . . . . . . . A 42 LYS HG3 . 36045 1 425 . 1 1 42 42 LYS HD3 H 1 1.575 . . . . . . . A 42 LYS HD3 . 36045 1 426 . 1 1 42 42 LYS HE3 H 1 2.978 . . . . . . . A 42 LYS HE3 . 36045 1 427 . 1 1 42 42 LYS C C 13 176.464 . . . . . . . A 42 LYS C . 36045 1 428 . 1 1 42 42 LYS CA C 13 57.932 . . . . . . . A 42 LYS CA . 36045 1 429 . 1 1 42 42 LYS CB C 13 32.171 . . . . . . . A 42 LYS CB . 36045 1 430 . 1 1 42 42 LYS CG C 13 25.111 . . . . . . . A 42 LYS CG . 36045 1 431 . 1 1 42 42 LYS CD C 13 29.136 . . . . . . . A 42 LYS CD . 36045 1 432 . 1 1 42 42 LYS CE C 13 42.055 . . . . . . . A 42 LYS CE . 36045 1 433 . 1 1 42 42 LYS N N 15 120.775 . . . . . . . A 42 LYS N . 36045 1 434 . 1 1 43 43 ASP H H 1 8.207 . . . . . . . A 43 ASP H . 36045 1 435 . 1 1 43 43 ASP HA H 1 4.551 . . . . . . . A 43 ASP HA . 36045 1 436 . 1 1 43 43 ASP HB2 H 1 2.599 . . . . . . . A 43 ASP HB2 . 36045 1 437 . 1 1 43 43 ASP HB3 H 1 2.704 . . . . . . . A 43 ASP HB3 . 36045 1 438 . 1 1 43 43 ASP C C 13 176.037 . . . . . . . A 43 ASP C . 36045 1 439 . 1 1 43 43 ASP CA C 13 54.259 . . . . . . . A 43 ASP CA . 36045 1 440 . 1 1 43 43 ASP CB C 13 39.048 . . . . . . . A 43 ASP CB . 36045 1 441 . 1 1 43 43 ASP N N 15 118.525 . . . . . . . A 43 ASP N . 36045 1 442 . 1 1 44 44 LYS H H 1 8.108 . . . . . . . A 44 LYS H . 36045 1 443 . 1 1 44 44 LYS HA H 1 4.595 . . . . . . . A 44 LYS HA . 36045 1 444 . 1 1 44 44 LYS HB2 H 1 1.647 . . . . . . . A 44 LYS HB2 . 36045 1 445 . 1 1 44 44 LYS HB3 H 1 1.903 . . . . . . . A 44 LYS HB3 . 36045 1 446 . 1 1 44 44 LYS HG2 H 1 1.620 . . . . . . . A 44 LYS HG2 . 36045 1 447 . 1 1 44 44 LYS HG3 H 1 1.437 . . . . . . . A 44 LYS HG3 . 36045 1 448 . 1 1 44 44 LYS HD2 H 1 1.696 . . . . . . . A 44 LYS HD2 . 36045 1 449 . 1 1 44 44 LYS HD3 H 1 1.674 . . . . . . . A 44 LYS HD3 . 36045 1 450 . 1 1 44 44 LYS HE2 H 1 2.930 . . . . . . . A 44 LYS HE2 . 36045 1 451 . 1 1 44 44 LYS HE3 H 1 3.001 . . . . . . . A 44 LYS HE3 . 36045 1 452 . 1 1 44 44 LYS CA C 13 54.294 . . . . . . . A 44 LYS CA . 36045 1 453 . 1 1 44 44 LYS CB C 13 31.913 . . . . . . . A 44 LYS CB . 36045 1 454 . 1 1 44 44 LYS CG C 13 24.796 . . . . . . . A 44 LYS CG . 36045 1 455 . 1 1 44 44 LYS CD C 13 29.488 . . . . . . . A 44 LYS CD . 36045 1 456 . 1 1 44 44 LYS CE C 13 42.267 . . . . . . . A 44 LYS CE . 36045 1 457 . 1 1 44 44 LYS N N 15 121.454 . . . . . . . A 44 LYS N . 36045 1 458 . 1 1 45 45 PRO HA H 1 4.132 . . . . . . . A 45 PRO HA . 36045 1 459 . 1 1 45 45 PRO HB2 H 1 1.894 . . . . . . . A 45 PRO HB2 . 36045 1 460 . 1 1 45 45 PRO HB3 H 1 2.124 . . . . . . . A 45 PRO HB3 . 36045 1 461 . 1 1 45 45 PRO HG2 H 1 2.117 . . . . . . . A 45 PRO HG2 . 36045 1 462 . 1 1 45 45 PRO HG3 H 1 1.991 . . . . . . . A 45 PRO HG3 . 36045 1 463 . 1 1 45 45 PRO HD2 H 1 3.793 . . . . . . . A 45 PRO HD2 . 36045 1 464 . 1 1 45 45 PRO HD3 H 1 3.696 . . . . . . . A 45 PRO HD3 . 36045 1 465 . 1 1 45 45 PRO C C 13 177.899 . . . . . . . A 45 PRO C . 36045 1 466 . 1 1 45 45 PRO CA C 13 65.800 . . . . . . . A 45 PRO CA . 36045 1 467 . 1 1 45 45 PRO CB C 13 31.900 . . . . . . . A 45 PRO CB . 36045 1 468 . 1 1 45 45 PRO CG C 13 27.826 . . . . . . . A 45 PRO CG . 36045 1 469 . 1 1 45 45 PRO CD C 13 50.199 . . . . . . . A 45 PRO CD . 36045 1 470 . 1 1 46 46 GLU H H 1 8.994 . . . . . . . A 46 GLU H . 36045 1 471 . 1 1 46 46 GLU HA H 1 4.105 . . . . . . . A 46 GLU HA . 36045 1 472 . 1 1 46 46 GLU HB2 H 1 2.088 . . . . . . . A 46 GLU HB2 . 36045 1 473 . 1 1 46 46 GLU HB3 H 1 2.028 . . . . . . . A 46 GLU HB3 . 36045 1 474 . 1 1 46 46 GLU HG2 H 1 2.363 . . . . . . . A 46 GLU HG2 . 36045 1 475 . 1 1 46 46 GLU HG3 H 1 2.453 . . . . . . . A 46 GLU HG3 . 36045 1 476 . 1 1 46 46 GLU C C 13 175.649 . . . . . . . A 46 GLU C . 36045 1 477 . 1 1 46 46 GLU CA C 13 58.187 . . . . . . . A 46 GLU CA . 36045 1 478 . 1 1 46 46 GLU CB C 13 27.748 . . . . . . . A 46 GLU CB . 36045 1 479 . 1 1 46 46 GLU CG C 13 34.004 . . . . . . . A 46 GLU CG . 36045 1 480 . 1 1 46 46 GLU N N 15 115.454 . . . . . . . A 46 GLU N . 36045 1 481 . 1 1 47 47 ASP H H 1 7.703 . . . . . . . A 47 ASP H . 36045 1 482 . 1 1 47 47 ASP HA H 1 4.894 . . . . . . . A 47 ASP HA . 36045 1 483 . 1 1 47 47 ASP HB2 H 1 2.671 . . . . . . . A 47 ASP HB2 . 36045 1 484 . 1 1 47 47 ASP HB3 H 1 3.026 . . . . . . . A 47 ASP HB3 . 36045 1 485 . 1 1 47 47 ASP C C 13 175.339 . . . . . . . A 47 ASP C . 36045 1 486 . 1 1 47 47 ASP CA C 13 52.837 . . . . . . . A 47 ASP CA . 36045 1 487 . 1 1 47 47 ASP CB C 13 40.709 . . . . . . . A 47 ASP CB . 36045 1 488 . 1 1 47 47 ASP N N 15 116.363 . . . . . . . A 47 ASP N . 36045 1 489 . 1 1 48 48 ALA H H 1 7.130 . . . . . . . A 48 ALA H . 36045 1 490 . 1 1 48 48 ALA HA H 1 4.325 . . . . . . . A 48 ALA HA . 36045 1 491 . 1 1 48 48 ALA HB1 H 1 1.426 . . . . . . . A 48 ALA HB1 . 36045 1 492 . 1 1 48 48 ALA HB2 H 1 1.426 . . . . . . . A 48 ALA HB2 . 36045 1 493 . 1 1 48 48 ALA HB3 H 1 1.426 . . . . . . . A 48 ALA HB3 . 36045 1 494 . 1 1 48 48 ALA C C 13 176.774 . . . . . . . A 48 ALA C . 36045 1 495 . 1 1 48 48 ALA CA C 13 53.784 . . . . . . . A 48 ALA CA . 36045 1 496 . 1 1 48 48 ALA CB C 13 20.111 . . . . . . . A 48 ALA CB . 36045 1 497 . 1 1 48 48 ALA N N 15 123.477 . . . . . . . A 48 ALA N . 36045 1 498 . 1 1 49 49 VAL H H 1 8.536 . . . . . . . A 49 VAL H . 36045 1 499 . 1 1 49 49 VAL HA H 1 4.078 . . . . . . . A 49 VAL HA . 36045 1 500 . 1 1 49 49 VAL HB H 1 2.027 . . . . . . . A 49 VAL HB . 36045 1 501 . 1 1 49 49 VAL HG11 H 1 0.815 . . . . . . . A 49 VAL HG11 . 36045 1 502 . 1 1 49 49 VAL HG12 H 1 0.815 . . . . . . . A 49 VAL HG12 . 36045 1 503 . 1 1 49 49 VAL HG13 H 1 0.815 . . . . . . . A 49 VAL HG13 . 36045 1 504 . 1 1 49 49 VAL HG21 H 1 0.895 . . . . . . . A 49 VAL HG21 . 36045 1 505 . 1 1 49 49 VAL HG22 H 1 0.895 . . . . . . . A 49 VAL HG22 . 36045 1 506 . 1 1 49 49 VAL HG23 H 1 0.895 . . . . . . . A 49 VAL HG23 . 36045 1 507 . 1 1 49 49 VAL C C 13 174.175 . . . . . . . A 49 VAL C . 36045 1 508 . 1 1 49 49 VAL CA C 13 61.231 . . . . . . . A 49 VAL CA . 36045 1 509 . 1 1 49 49 VAL CB C 13 34.543 . . . . . . . A 49 VAL CB . 36045 1 510 . 1 1 49 49 VAL CG1 C 13 21.460 . . . . . . . A 49 VAL CG1 . 36045 1 511 . 1 1 49 49 VAL CG2 C 13 20.524 . . . . . . . A 49 VAL CG2 . 36045 1 512 . 1 1 49 49 VAL N N 15 123.734 . . . . . . . A 49 VAL N . 36045 1 513 . 1 1 50 50 LEU H H 1 8.912 . . . . . . . A 50 LEU H . 36045 1 514 . 1 1 50 50 LEU HA H 1 3.690 . . . . . . . A 50 LEU HA . 36045 1 515 . 1 1 50 50 LEU HB2 H 1 -0.063 . . . . . . . A 50 LEU HB2 . 36045 1 516 . 1 1 50 50 LEU HB3 H 1 1.440 . . . . . . . A 50 LEU HB3 . 36045 1 517 . 1 1 50 50 LEU HG H 1 0.597 . . . . . . . A 50 LEU HG . 36045 1 518 . 1 1 50 50 LEU HD11 H 1 0.263 . . . . . . . A 50 LEU HD11 . 36045 1 519 . 1 1 50 50 LEU HD12 H 1 0.263 . . . . . . . A 50 LEU HD12 . 36045 1 520 . 1 1 50 50 LEU HD13 H 1 0.263 . . . . . . . A 50 LEU HD13 . 36045 1 521 . 1 1 50 50 LEU C C 13 173.865 . . . . . . . A 50 LEU C . 36045 1 522 . 1 1 50 50 LEU CA C 13 53.630 . . . . . . . A 50 LEU CA . 36045 1 523 . 1 1 50 50 LEU CB C 13 42.020 . . . . . . . A 50 LEU CB . 36045 1 524 . 1 1 50 50 LEU CG C 13 26.609 . . . . . . . A 50 LEU CG . 36045 1 525 . 1 1 50 50 LEU CD1 C 13 23.291 . . . . . . . A 50 LEU CD1 . 36045 1 526 . 1 1 50 50 LEU N N 15 128.603 . . . . . . . A 50 LEU N . 36045 1 527 . 1 1 51 51 ASP H H 1 8.583 . . . . . . . A 51 ASP H . 36045 1 528 . 1 1 51 51 ASP HA H 1 4.905 . . . . . . . A 51 ASP HA . 36045 1 529 . 1 1 51 51 ASP HB2 H 1 2.650 . . . . . . . A 51 ASP HB2 . 36045 1 530 . 1 1 51 51 ASP HB3 H 1 3.283 . . . . . . . A 51 ASP HB3 . 36045 1 531 . 1 1 51 51 ASP C C 13 175.921 . . . . . . . A 51 ASP C . 36045 1 532 . 1 1 51 51 ASP CA C 13 51.306 . . . . . . . A 51 ASP CA . 36045 1 533 . 1 1 51 51 ASP CB C 13 39.308 . . . . . . . A 51 ASP CB . 36045 1 534 . 1 1 51 51 ASP N N 15 128.151 . . . . . . . A 51 ASP N . 36045 1 535 . 1 1 52 52 VAL H H 1 8.371 . . . . . . . A 52 VAL H . 36045 1 536 . 1 1 52 52 VAL HA H 1 3.308 . . . . . . . A 52 VAL HA . 36045 1 537 . 1 1 52 52 VAL HB H 1 1.727 . . . . . . . A 52 VAL HB . 36045 1 538 . 1 1 52 52 VAL HG11 H 1 0.508 . . . . . . . A 52 VAL HG11 . 36045 1 539 . 1 1 52 52 VAL HG12 H 1 0.508 . . . . . . . A 52 VAL HG12 . 36045 1 540 . 1 1 52 52 VAL HG13 H 1 0.508 . . . . . . . A 52 VAL HG13 . 36045 1 541 . 1 1 52 52 VAL HG21 H 1 0.903 . . . . . . . A 52 VAL HG21 . 36045 1 542 . 1 1 52 52 VAL HG22 H 1 0.903 . . . . . . . A 52 VAL HG22 . 36045 1 543 . 1 1 52 52 VAL HG23 H 1 0.903 . . . . . . . A 52 VAL HG23 . 36045 1 544 . 1 1 52 52 VAL C C 13 177.201 . . . . . . . A 52 VAL C . 36045 1 545 . 1 1 52 52 VAL CA C 13 67.061 . . . . . . . A 52 VAL CA . 36045 1 546 . 1 1 52 52 VAL CB C 13 31.228 . . . . . . . A 52 VAL CB . 36045 1 547 . 1 1 52 52 VAL CG1 C 13 21.460 . . . . . . . A 52 VAL CG1 . 36045 1 548 . 1 1 52 52 VAL CG2 C 13 19.494 . . . . . . . A 52 VAL CG2 . 36045 1 549 . 1 1 52 52 VAL N N 15 123.882 . . . . . . . A 52 VAL N . 36045 1 550 . 1 1 53 53 GLN H H 1 8.304 . . . . . . . A 53 GLN H . 36045 1 551 . 1 1 53 53 GLN HA H 1 3.971 . . . . . . . A 53 GLN HA . 36045 1 552 . 1 1 53 53 GLN HB2 H 1 2.071 . . . . . . . A 53 GLN HB2 . 36045 1 553 . 1 1 53 53 GLN HB3 H 1 2.004 . . . . . . . A 53 GLN HB3 . 36045 1 554 . 1 1 53 53 GLN HG3 H 1 2.364 . . . . . . . A 53 GLN HG3 . 36045 1 555 . 1 1 53 53 GLN HE21 H 1 7.494 . . . . . . . A 53 GLN HE21 . 36045 1 556 . 1 1 53 53 GLN HE22 H 1 6.869 . . . . . . . A 53 GLN HE22 . 36045 1 557 . 1 1 53 53 GLN C C 13 179.334 . . . . . . . A 53 GLN C . 36045 1 558 . 1 1 53 53 GLN CA C 13 58.800 . . . . . . . A 53 GLN CA . 36045 1 559 . 1 1 53 53 GLN CB C 13 27.900 . . . . . . . A 53 GLN CB . 36045 1 560 . 1 1 53 53 GLN CG C 13 34.004 . . . . . . . A 53 GLN CG . 36045 1 561 . 1 1 53 53 GLN N N 15 120.029 . . . . . . . A 53 GLN N . 36045 1 562 . 1 1 53 53 GLN NE2 N 15 112.386 . . . . . . . A 53 GLN NE2 . 36045 1 563 . 1 1 54 54 GLY H H 1 8.009 . . . . . . . A 54 GLY H . 36045 1 564 . 1 1 54 54 GLY HA2 H 1 3.552 . . . . . . . A 54 GLY HA2 . 36045 1 565 . 1 1 54 54 GLY HA3 H 1 3.692 . . . . . . . A 54 GLY HA3 . 36045 1 566 . 1 1 54 54 GLY C C 13 175.571 . . . . . . . A 54 GLY C . 36045 1 567 . 1 1 54 54 GLY CA C 13 47.818 . . . . . . . A 54 GLY CA . 36045 1 568 . 1 1 54 54 GLY N N 15 110.275 . . . . . . . A 54 GLY N . 36045 1 569 . 1 1 55 55 ILE H H 1 8.305 . . . . . . . A 55 ILE H . 36045 1 570 . 1 1 55 55 ILE HA H 1 3.799 . . . . . . . A 55 ILE HA . 36045 1 571 . 1 1 55 55 ILE HB H 1 2.070 . . . . . . . A 55 ILE HB . 36045 1 572 . 1 1 55 55 ILE HG12 H 1 1.875 . . . . . . . A 55 ILE HG12 . 36045 1 573 . 1 1 55 55 ILE HG13 H 1 1.207 . . . . . . . A 55 ILE HG13 . 36045 1 574 . 1 1 55 55 ILE HG21 H 1 1.064 . . . . . . . A 55 ILE HG21 . 36045 1 575 . 1 1 55 55 ILE HG22 H 1 1.064 . . . . . . . A 55 ILE HG22 . 36045 1 576 . 1 1 55 55 ILE HG23 H 1 1.064 . . . . . . . A 55 ILE HG23 . 36045 1 577 . 1 1 55 55 ILE HD11 H 1 0.766 . . . . . . . A 55 ILE HD11 . 36045 1 578 . 1 1 55 55 ILE HD12 H 1 0.766 . . . . . . . A 55 ILE HD12 . 36045 1 579 . 1 1 55 55 ILE HD13 H 1 0.766 . . . . . . . A 55 ILE HD13 . 36045 1 580 . 1 1 55 55 ILE C C 13 179.296 . . . . . . . A 55 ILE C . 36045 1 581 . 1 1 55 55 ILE CA C 13 65.149 . . . . . . . A 55 ILE CA . 36045 1 582 . 1 1 55 55 ILE CB C 13 37.510 . . . . . . . A 55 ILE CB . 36045 1 583 . 1 1 55 55 ILE CG1 C 13 29.417 . . . . . . . A 55 ILE CG1 . 36045 1 584 . 1 1 55 55 ILE CG2 C 13 18.558 . . . . . . . A 55 ILE CG2 . 36045 1 585 . 1 1 55 55 ILE CD1 C 13 12.797 . . . . . . . A 55 ILE CD1 . 36045 1 586 . 1 1 55 55 ILE N N 15 123.271 . . . . . . . A 55 ILE N . 36045 1 587 . 1 1 56 56 ALA H H 1 8.660 . . . . . . . A 56 ALA H . 36045 1 588 . 1 1 56 56 ALA HA H 1 4.282 . . . . . . . A 56 ALA HA . 36045 1 589 . 1 1 56 56 ALA HB1 H 1 1.544 . . . . . . . A 56 ALA HB1 . 36045 1 590 . 1 1 56 56 ALA HB2 H 1 1.544 . . . . . . . A 56 ALA HB2 . 36045 1 591 . 1 1 56 56 ALA HB3 H 1 1.544 . . . . . . . A 56 ALA HB3 . 36045 1 592 . 1 1 56 56 ALA C C 13 179.994 . . . . . . . A 56 ALA C . 36045 1 593 . 1 1 56 56 ALA CA C 13 55.200 . . . . . . . A 56 ALA CA . 36045 1 594 . 1 1 56 56 ALA CB C 13 18.577 . . . . . . . A 56 ALA CB . 36045 1 595 . 1 1 56 56 ALA N N 15 124.863 . . . . . . . A 56 ALA N . 36045 1 596 . 1 1 57 57 THR H H 1 8.053 . . . . . . . A 57 THR H . 36045 1 597 . 1 1 57 57 THR HA H 1 4.110 . . . . . . . A 57 THR HA . 36045 1 598 . 1 1 57 57 THR HB H 1 4.250 . . . . . . . A 57 THR HB . 36045 1 599 . 1 1 57 57 THR HG21 H 1 1.245 . . . . . . . A 57 THR HG21 . 36045 1 600 . 1 1 57 57 THR HG22 H 1 1.245 . . . . . . . A 57 THR HG22 . 36045 1 601 . 1 1 57 57 THR HG23 H 1 1.245 . . . . . . . A 57 THR HG23 . 36045 1 602 . 1 1 57 57 THR C C 13 176.347 . . . . . . . A 57 THR C . 36045 1 603 . 1 1 57 57 THR CA C 13 66.025 . . . . . . . A 57 THR CA . 36045 1 604 . 1 1 57 57 THR CB C 13 69.495 . . . . . . . A 57 THR CB . 36045 1 605 . 1 1 57 57 THR CG2 C 13 21.741 . . . . . . . A 57 THR CG2 . 36045 1 606 . 1 1 57 57 THR N N 15 113.728 . . . . . . . A 57 THR N . 36045 1 607 . 1 1 58 58 VAL H H 1 8.654 . . . . . . . A 58 VAL H . 36045 1 608 . 1 1 58 58 VAL HA H 1 4.167 . . . . . . . A 58 VAL HA . 36045 1 609 . 1 1 58 58 VAL HB H 1 2.167 . . . . . . . A 58 VAL HB . 36045 1 610 . 1 1 58 58 VAL HG11 H 1 1.038 . . . . . . . A 58 VAL HG11 . 36045 1 611 . 1 1 58 58 VAL HG12 H 1 1.038 . . . . . . . A 58 VAL HG12 . 36045 1 612 . 1 1 58 58 VAL HG13 H 1 1.038 . . . . . . . A 58 VAL HG13 . 36045 1 613 . 1 1 58 58 VAL HG21 H 1 1.057 . . . . . . . A 58 VAL HG21 . 36045 1 614 . 1 1 58 58 VAL HG22 H 1 1.057 . . . . . . . A 58 VAL HG22 . 36045 1 615 . 1 1 58 58 VAL HG23 H 1 1.057 . . . . . . . A 58 VAL HG23 . 36045 1 616 . 1 1 58 58 VAL C C 13 177.084 . . . . . . . A 58 VAL C . 36045 1 617 . 1 1 58 58 VAL CA C 13 64.200 . . . . . . . A 58 VAL CA . 36045 1 618 . 1 1 58 58 VAL CB C 13 32.300 . . . . . . . A 58 VAL CB . 36045 1 619 . 1 1 58 58 VAL CG1 C 13 22.677 . . . . . . . A 58 VAL CG1 . 36045 1 620 . 1 1 58 58 VAL CG2 C 13 21.834 . . . . . . . A 58 VAL CG2 . 36045 1 621 . 1 1 58 58 VAL N N 15 119.010 . . . . . . . A 58 VAL N . 36045 1 622 . 1 1 59 59 THR H H 1 8.066 . . . . . . . A 59 THR H . 36045 1 623 . 1 1 59 59 THR HA H 1 4.143 . . . . . . . A 59 THR HA . 36045 1 624 . 1 1 59 59 THR HB H 1 4.589 . . . . . . . A 59 THR HB . 36045 1 625 . 1 1 59 59 THR HG21 H 1 1.337 . . . . . . . A 59 THR HG21 . 36045 1 626 . 1 1 59 59 THR HG22 H 1 1.337 . . . . . . . A 59 THR HG22 . 36045 1 627 . 1 1 59 59 THR HG23 H 1 1.337 . . . . . . . A 59 THR HG23 . 36045 1 628 . 1 1 59 59 THR CA C 13 72.000 . . . . . . . A 59 THR CA . 36045 1 629 . 1 1 59 59 THR CB C 13 66.278 . . . . . . . A 59 THR CB . 36045 1 630 . 1 1 59 59 THR CG2 C 13 21.801 . . . . . . . A 59 THR CG2 . 36045 1 631 . 1 1 59 59 THR N N 15 119.411 . . . . . . . A 59 THR N . 36045 1 632 . 1 1 60 60 PRO HA H 1 4.433 . . . . . . . A 60 PRO HA . 36045 1 633 . 1 1 60 60 PRO HB2 H 1 1.973 . . . . . . . A 60 PRO HB2 . 36045 1 634 . 1 1 60 60 PRO HB3 H 1 2.435 . . . . . . . A 60 PRO HB3 . 36045 1 635 . 1 1 60 60 PRO HG2 H 1 2.120 . . . . . . . A 60 PRO HG2 . 36045 1 636 . 1 1 60 60 PRO HG3 H 1 2.216 . . . . . . . A 60 PRO HG3 . 36045 1 637 . 1 1 60 60 PRO HD2 H 1 3.647 . . . . . . . A 60 PRO HD2 . 36045 1 638 . 1 1 60 60 PRO HD3 H 1 3.929 . . . . . . . A 60 PRO HD3 . 36045 1 639 . 1 1 60 60 PRO C C 13 179.373 . . . . . . . A 60 PRO C . 36045 1 640 . 1 1 60 60 PRO CA C 13 66.000 . . . . . . . A 60 PRO CA . 36045 1 641 . 1 1 60 60 PRO CB C 13 30.900 . . . . . . . A 60 PRO CB . 36045 1 642 . 1 1 60 60 PRO CG C 13 28.200 . . . . . . . A 60 PRO CG . 36045 1 643 . 1 1 60 60 PRO CD C 13 50.480 . . . . . . . A 60 PRO CD . 36045 1 644 . 1 1 61 61 ALA H H 1 6.893 . . . . . . . A 61 ALA H . 36045 1 645 . 1 1 61 61 ALA HA H 1 4.347 . . . . . . . A 61 ALA HA . 36045 1 646 . 1 1 61 61 ALA HB1 H 1 1.597 . . . . . . . A 61 ALA HB1 . 36045 1 647 . 1 1 61 61 ALA HB2 H 1 1.597 . . . . . . . A 61 ALA HB2 . 36045 1 648 . 1 1 61 61 ALA HB3 H 1 1.597 . . . . . . . A 61 ALA HB3 . 36045 1 649 . 1 1 61 61 ALA C C 13 181.003 . . . . . . . A 61 ALA C . 36045 1 650 . 1 1 61 61 ALA CA C 13 54.962 . . . . . . . A 61 ALA CA . 36045 1 651 . 1 1 61 61 ALA CB C 13 18.050 . . . . . . . A 61 ALA CB . 36045 1 652 . 1 1 61 61 ALA N N 15 121.014 . . . . . . . A 61 ALA N . 36045 1 653 . 1 1 62 62 ILE H H 1 8.458 . . . . . . . A 62 ILE H . 36045 1 654 . 1 1 62 62 ILE HA H 1 3.756 . . . . . . . A 62 ILE HA . 36045 1 655 . 1 1 62 62 ILE HB H 1 2.124 . . . . . . . A 62 ILE HB . 36045 1 656 . 1 1 62 62 ILE HG12 H 1 0.870 . . . . . . . A 62 ILE HG12 . 36045 1 657 . 1 1 62 62 ILE HG13 H 1 1.783 . . . . . . . A 62 ILE HG13 . 36045 1 658 . 1 1 62 62 ILE HG21 H 1 0.801 . . . . . . . A 62 ILE HG21 . 36045 1 659 . 1 1 62 62 ILE HG22 H 1 0.801 . . . . . . . A 62 ILE HG22 . 36045 1 660 . 1 1 62 62 ILE HG23 H 1 0.801 . . . . . . . A 62 ILE HG23 . 36045 1 661 . 1 1 62 62 ILE HD11 H 1 0.937 . . . . . . . A 62 ILE HD11 . 36045 1 662 . 1 1 62 62 ILE HD12 H 1 0.937 . . . . . . . A 62 ILE HD12 . 36045 1 663 . 1 1 62 62 ILE HD13 H 1 0.937 . . . . . . . A 62 ILE HD13 . 36045 1 664 . 1 1 62 62 ILE C C 13 178.132 . . . . . . . A 62 ILE C . 36045 1 665 . 1 1 62 62 ILE CA C 13 65.106 . . . . . . . A 62 ILE CA . 36045 1 666 . 1 1 62 62 ILE CB C 13 37.640 . . . . . . . A 62 ILE CB . 36045 1 667 . 1 1 62 62 ILE CG1 C 13 30.259 . . . . . . . A 62 ILE CG1 . 36045 1 668 . 1 1 62 62 ILE CG2 C 13 18.839 . . . . . . . A 62 ILE CG2 . 36045 1 669 . 1 1 62 62 ILE CD1 C 13 17.296 . . . . . . . A 62 ILE CD1 . 36045 1 670 . 1 1 62 62 ILE N N 15 122.469 . . . . . . . A 62 ILE N . 36045 1 671 . 1 1 63 63 VAL H H 1 8.837 . . . . . . . A 63 VAL H . 36045 1 672 . 1 1 63 63 VAL HA H 1 3.702 . . . . . . . A 63 VAL HA . 36045 1 673 . 1 1 63 63 VAL HB H 1 2.360 . . . . . . . A 63 VAL HB . 36045 1 674 . 1 1 63 63 VAL HG11 H 1 1.155 . . . . . . . A 63 VAL HG11 . 36045 1 675 . 1 1 63 63 VAL HG12 H 1 1.155 . . . . . . . A 63 VAL HG12 . 36045 1 676 . 1 1 63 63 VAL HG13 H 1 1.155 . . . . . . . A 63 VAL HG13 . 36045 1 677 . 1 1 63 63 VAL HG21 H 1 0.928 . . . . . . . A 63 VAL HG21 . 36045 1 678 . 1 1 63 63 VAL HG22 H 1 0.928 . . . . . . . A 63 VAL HG22 . 36045 1 679 . 1 1 63 63 VAL HG23 H 1 0.928 . . . . . . . A 63 VAL HG23 . 36045 1 680 . 1 1 63 63 VAL C C 13 179.257 . . . . . . . A 63 VAL C . 36045 1 681 . 1 1 63 63 VAL CA C 13 68.400 . . . . . . . A 63 VAL CA . 36045 1 682 . 1 1 63 63 VAL CB C 13 31.800 . . . . . . . A 63 VAL CB . 36045 1 683 . 1 1 63 63 VAL CG1 C 13 23.145 . . . . . . . A 63 VAL CG1 . 36045 1 684 . 1 1 63 63 VAL CG2 C 13 20.992 . . . . . . . A 63 VAL CG2 . 36045 1 685 . 1 1 63 63 VAL N N 15 123.066 . . . . . . . A 63 VAL N . 36045 1 686 . 1 1 64 64 GLN H H 1 8.087 . . . . . . . A 64 GLN H . 36045 1 687 . 1 1 64 64 GLN HA H 1 4.143 . . . . . . . A 64 GLN HA . 36045 1 688 . 1 1 64 64 GLN HB3 H 1 2.220 . . . . . . . A 64 GLN HB3 . 36045 1 689 . 1 1 64 64 GLN HG2 H 1 2.493 . . . . . . . A 64 GLN HG2 . 36045 1 690 . 1 1 64 64 GLN HG3 H 1 2.462 . . . . . . . A 64 GLN HG3 . 36045 1 691 . 1 1 64 64 GLN C C 13 178.675 . . . . . . . A 64 GLN C . 36045 1 692 . 1 1 64 64 GLN CA C 13 59.600 . . . . . . . A 64 GLN CA . 36045 1 693 . 1 1 64 64 GLN CB C 13 28.300 . . . . . . . A 64 GLN CB . 36045 1 694 . 1 1 64 64 GLN CG C 13 33.817 . . . . . . . A 64 GLN CG . 36045 1 695 . 1 1 64 64 GLN N N 15 120.549 . . . . . . . A 64 GLN N . 36045 1 696 . 1 1 65 65 ALA H H 1 8.434 . . . . . . . A 65 ALA H . 36045 1 697 . 1 1 65 65 ALA HA H 1 4.228 . . . . . . . A 65 ALA HA . 36045 1 698 . 1 1 65 65 ALA HB1 H 1 1.544 . . . . . . . A 65 ALA HB1 . 36045 1 699 . 1 1 65 65 ALA HB2 H 1 1.544 . . . . . . . A 65 ALA HB2 . 36045 1 700 . 1 1 65 65 ALA HB3 H 1 1.544 . . . . . . . A 65 ALA HB3 . 36045 1 701 . 1 1 65 65 ALA C C 13 181.856 . . . . . . . A 65 ALA C . 36045 1 702 . 1 1 65 65 ALA CA C 13 55.200 . . . . . . . A 65 ALA CA . 36045 1 703 . 1 1 65 65 ALA CB C 13 18.800 . . . . . . . A 65 ALA CB . 36045 1 704 . 1 1 65 65 ALA N N 15 122.873 . . . . . . . A 65 ALA N . 36045 1 705 . 1 1 66 66 CYS H H 1 9.207 . . . . . . . A 66 CYS H . 36045 1 706 . 1 1 66 66 CYS HA H 1 5.012 . . . . . . . A 66 CYS HA . 36045 1 707 . 1 1 66 66 CYS HB2 H 1 3.122 . . . . . . . A 66 CYS HB2 . 36045 1 708 . 1 1 66 66 CYS HB3 H 1 3.573 . . . . . . . A 66 CYS HB3 . 36045 1 709 . 1 1 66 66 CYS C C 13 176.580 . . . . . . . A 66 CYS C . 36045 1 710 . 1 1 66 66 CYS CA C 13 52.500 . . . . . . . A 66 CYS CA . 36045 1 711 . 1 1 66 66 CYS CB C 13 31.200 . . . . . . . A 66 CYS CB . 36045 1 712 . 1 1 66 66 CYS N N 15 115.350 . . . . . . . A 66 CYS N . 36045 1 713 . 1 1 67 67 THR H H 1 8.301 . . . . . . . A 67 THR H . 36045 1 714 . 1 1 67 67 THR HA H 1 3.842 . . . . . . . A 67 THR HA . 36045 1 715 . 1 1 67 67 THR HB H 1 4.443 . . . . . . . A 67 THR HB . 36045 1 716 . 1 1 67 67 THR HG21 H 1 1.313 . . . . . . . A 67 THR HG21 . 36045 1 717 . 1 1 67 67 THR HG22 H 1 1.313 . . . . . . . A 67 THR HG22 . 36045 1 718 . 1 1 67 67 THR HG23 H 1 1.313 . . . . . . . A 67 THR HG23 . 36045 1 719 . 1 1 67 67 THR C C 13 175.378 . . . . . . . A 67 THR C . 36045 1 720 . 1 1 67 67 THR CA C 13 66.958 . . . . . . . A 67 THR CA . 36045 1 721 . 1 1 67 67 THR CB C 13 69.200 . . . . . . . A 67 THR CB . 36045 1 722 . 1 1 67 67 THR CG2 C 13 21.286 . . . . . . . A 67 THR CG2 . 36045 1 723 . 1 1 67 67 THR N N 15 117.164 . . . . . . . A 67 THR N . 36045 1 724 . 1 1 68 68 GLN H H 1 7.271 . . . . . . . A 68 GLN H . 36045 1 725 . 1 1 68 68 GLN HA H 1 4.282 . . . . . . . A 68 GLN HA . 36045 1 726 . 1 1 68 68 GLN HB2 H 1 2.059 . . . . . . . A 68 GLN HB2 . 36045 1 727 . 1 1 68 68 GLN HB3 H 1 2.274 . . . . . . . A 68 GLN HB3 . 36045 1 728 . 1 1 68 68 GLN HG2 H 1 2.544 . . . . . . . A 68 GLN HG2 . 36045 1 729 . 1 1 68 68 GLN HG3 H 1 2.490 . . . . . . . A 68 GLN HG3 . 36045 1 730 . 1 1 68 68 GLN HE21 H 1 7.460 . . . . . . . A 68 GLN HE21 . 36045 1 731 . 1 1 68 68 GLN HE22 H 1 6.858 . . . . . . . A 68 GLN HE22 . 36045 1 732 . 1 1 68 68 GLN C C 13 175.804 . . . . . . . A 68 GLN C . 36045 1 733 . 1 1 68 68 GLN CA C 13 56.606 . . . . . . . A 68 GLN CA . 36045 1 734 . 1 1 68 68 GLN CB C 13 29.240 . . . . . . . A 68 GLN CB . 36045 1 735 . 1 1 68 68 GLN CG C 13 33.910 . . . . . . . A 68 GLN CG . 36045 1 736 . 1 1 68 68 GLN N N 15 117.988 . . . . . . . A 68 GLN N . 36045 1 737 . 1 1 68 68 GLN NE2 N 15 112.623 . . . . . . . A 68 GLN NE2 . 36045 1 738 . 1 1 69 69 ASP H H 1 7.352 . . . . . . . A 69 ASP H . 36045 1 739 . 1 1 69 69 ASP HA H 1 4.980 . . . . . . . A 69 ASP HA . 36045 1 740 . 1 1 69 69 ASP HB2 H 1 2.650 . . . . . . . A 69 ASP HB2 . 36045 1 741 . 1 1 69 69 ASP HB3 H 1 2.951 . . . . . . . A 69 ASP HB3 . 36045 1 742 . 1 1 69 69 ASP C C 13 174.834 . . . . . . . A 69 ASP C . 36045 1 743 . 1 1 69 69 ASP CA C 13 51.986 . . . . . . . A 69 ASP CA . 36045 1 744 . 1 1 69 69 ASP CB C 13 39.161 . . . . . . . A 69 ASP CB . 36045 1 745 . 1 1 69 69 ASP N N 15 119.622 . . . . . . . A 69 ASP N . 36045 1 746 . 1 1 70 70 LYS H H 1 8.507 . . . . . . . A 70 LYS H . 36045 1 747 . 1 1 70 70 LYS HA H 1 4.089 . . . . . . . A 70 LYS HA . 36045 1 748 . 1 1 70 70 LYS HB3 H 1 1.823 . . . . . . . A 70 LYS HB3 . 36045 1 749 . 1 1 70 70 LYS HG2 H 1 1.719 . . . . . . . A 70 LYS HG2 . 36045 1 750 . 1 1 70 70 LYS HG3 H 1 1.432 . . . . . . . A 70 LYS HG3 . 36045 1 751 . 1 1 70 70 LYS HD2 H 1 1.655 . . . . . . . A 70 LYS HD2 . 36045 1 752 . 1 1 70 70 LYS HD3 H 1 1.773 . . . . . . . A 70 LYS HD3 . 36045 1 753 . 1 1 70 70 LYS HE3 H 1 3.051 . . . . . . . A 70 LYS HE3 . 36045 1 754 . 1 1 70 70 LYS C C 13 177.550 . . . . . . . A 70 LYS C . 36045 1 755 . 1 1 70 70 LYS CA C 13 60.500 . . . . . . . A 70 LYS CA . 36045 1 756 . 1 1 70 70 LYS CB C 13 33.325 . . . . . . . A 70 LYS CB . 36045 1 757 . 1 1 70 70 LYS CG C 13 26.702 . . . . . . . A 70 LYS CG . 36045 1 758 . 1 1 70 70 LYS CD C 13 29.791 . . . . . . . A 70 LYS CD . 36045 1 759 . 1 1 70 70 LYS CE C 13 42.429 . . . . . . . A 70 LYS CE . 36045 1 760 . 1 1 70 70 LYS N N 15 122.264 . . . . . . . A 70 LYS N . 36045 1 761 . 1 1 71 71 GLN H H 1 8.231 . . . . . . . A 71 GLN H . 36045 1 762 . 1 1 71 71 GLN HA H 1 4.529 . . . . . . . A 71 GLN HA . 36045 1 763 . 1 1 71 71 GLN HB2 H 1 2.059 . . . . . . . A 71 GLN HB2 . 36045 1 764 . 1 1 71 71 GLN HB3 H 1 2.371 . . . . . . . A 71 GLN HB3 . 36045 1 765 . 1 1 71 71 GLN HG2 H 1 2.364 . . . . . . . A 71 GLN HG2 . 36045 1 766 . 1 1 71 71 GLN HG3 H 1 2.460 . . . . . . . A 71 GLN HG3 . 36045 1 767 . 1 1 71 71 GLN HE21 H 1 7.565 . . . . . . . A 71 GLN HE21 . 36045 1 768 . 1 1 71 71 GLN HE22 H 1 6.856 . . . . . . . A 71 GLN HE22 . 36045 1 769 . 1 1 71 71 GLN C C 13 176.231 . . . . . . . A 71 GLN C . 36045 1 770 . 1 1 71 71 GLN CA C 13 55.600 . . . . . . . A 71 GLN CA . 36045 1 771 . 1 1 71 71 GLN CB C 13 28.293 . . . . . . . A 71 GLN CB . 36045 1 772 . 1 1 71 71 GLN CG C 13 34.472 . . . . . . . A 71 GLN CG . 36045 1 773 . 1 1 71 71 GLN N N 15 113.676 . . . . . . . A 71 GLN N . 36045 1 774 . 1 1 71 71 GLN NE2 N 15 113.185 . . . . . . . A 71 GLN NE2 . 36045 1 775 . 1 1 72 72 ALA H H 1 7.350 . . . . . . . A 72 ALA H . 36045 1 776 . 1 1 72 72 ALA HA H 1 4.110 . . . . . . . A 72 ALA HA . 36045 1 777 . 1 1 72 72 ALA HB1 H 1 1.544 . . . . . . . A 72 ALA HB1 . 36045 1 778 . 1 1 72 72 ALA HB2 H 1 1.544 . . . . . . . A 72 ALA HB2 . 36045 1 779 . 1 1 72 72 ALA HB3 H 1 1.544 . . . . . . . A 72 ALA HB3 . 36045 1 780 . 1 1 72 72 ALA C C 13 176.541 . . . . . . . A 72 ALA C . 36045 1 781 . 1 1 72 72 ALA CA C 13 51.900 . . . . . . . A 72 ALA CA . 36045 1 782 . 1 1 72 72 ALA CB C 13 20.200 . . . . . . . A 72 ALA CB . 36045 1 783 . 1 1 72 72 ALA N N 15 122.057 . . . . . . . A 72 ALA N . 36045 1 784 . 1 1 73 73 ASN H H 1 8.774 . . . . . . . A 73 ASN H . 36045 1 785 . 1 1 73 73 ASN HA H 1 4.721 . . . . . . . A 73 ASN HA . 36045 1 786 . 1 1 73 73 ASN HB2 H 1 2.700 . . . . . . . A 73 ASN HB2 . 36045 1 787 . 1 1 73 73 ASN HB3 H 1 2.960 . . . . . . . A 73 ASN HB3 . 36045 1 788 . 1 1 73 73 ASN HD21 H 1 8.025 . . . . . . . A 73 ASN HD21 . 36045 1 789 . 1 1 73 73 ASN HD22 H 1 6.731 . . . . . . . A 73 ASN HD22 . 36045 1 790 . 1 1 73 73 ASN C C 13 176.571 . . . . . . . A 73 ASN C . 36045 1 791 . 1 1 73 73 ASN CA C 13 55.446 . . . . . . . A 73 ASN CA . 36045 1 792 . 1 1 73 73 ASN CB C 13 40.438 . . . . . . . A 73 ASN CB . 36045 1 793 . 1 1 73 73 ASN N N 15 119.936 . . . . . . . A 73 ASN N . 36045 1 794 . 1 1 73 73 ASN ND2 N 15 113.022 . . . . . . . A 73 ASN ND2 . 36045 1 795 . 1 1 74 74 PHE H H 1 8.485 . . . . . . . A 74 PHE H . 36045 1 796 . 1 1 74 74 PHE HA H 1 4.282 . . . . . . . A 74 PHE HA . 36045 1 797 . 1 1 74 74 PHE HB2 H 1 3.070 . . . . . . . A 74 PHE HB2 . 36045 1 798 . 1 1 74 74 PHE HB3 H 1 3.148 . . . . . . . A 74 PHE HB3 . 36045 1 799 . 1 1 74 74 PHE C C 13 176.037 . . . . . . . A 74 PHE C . 36045 1 800 . 1 1 74 74 PHE CA C 13 60.500 . . . . . . . A 74 PHE CA . 36045 1 801 . 1 1 74 74 PHE CB C 13 39.100 . . . . . . . A 74 PHE CB . 36045 1 802 . 1 1 74 74 PHE N N 15 129.366 . . . . . . . A 74 PHE N . 36045 1 803 . 1 1 75 75 LYS H H 1 9.840 . . . . . . . A 75 LYS H . 36045 1 804 . 1 1 75 75 LYS HA H 1 3.241 . . . . . . . A 75 LYS HA . 36045 1 805 . 1 1 75 75 LYS HB2 H 1 1.683 . . . . . . . A 75 LYS HB2 . 36045 1 806 . 1 1 75 75 LYS HB3 H 1 1.930 . . . . . . . A 75 LYS HB3 . 36045 1 807 . 1 1 75 75 LYS HG2 H 1 1.666 . . . . . . . A 75 LYS HG2 . 36045 1 808 . 1 1 75 75 LYS HG3 H 1 1.352 . . . . . . . A 75 LYS HG3 . 36045 1 809 . 1 1 75 75 LYS HD2 H 1 1.562 . . . . . . . A 75 LYS HD2 . 36045 1 810 . 1 1 75 75 LYS HD3 H 1 1.493 . . . . . . . A 75 LYS HD3 . 36045 1 811 . 1 1 75 75 LYS HE2 H 1 2.918 . . . . . . . A 75 LYS HE2 . 36045 1 812 . 1 1 75 75 LYS HE3 H 1 2.949 . . . . . . . A 75 LYS HE3 . 36045 1 813 . 1 1 75 75 LYS C C 13 178.791 . . . . . . . A 75 LYS C . 36045 1 814 . 1 1 75 75 LYS CA C 13 59.700 . . . . . . . A 75 LYS CA . 36045 1 815 . 1 1 75 75 LYS CB C 13 30.300 . . . . . . . A 75 LYS CB . 36045 1 816 . 1 1 75 75 LYS CG C 13 23.707 . . . . . . . A 75 LYS CG . 36045 1 817 . 1 1 75 75 LYS CD C 13 29.323 . . . . . . . A 75 LYS CD . 36045 1 818 . 1 1 75 75 LYS CE C 13 42.288 . . . . . . . A 75 LYS CE . 36045 1 819 . 1 1 75 75 LYS N N 15 122.868 . . . . . . . A 75 LYS N . 36045 1 820 . 1 1 76 76 ASP H H 1 8.518 . . . . . . . A 76 ASP H . 36045 1 821 . 1 1 76 76 ASP HA H 1 4.443 . . . . . . . A 76 ASP HA . 36045 1 822 . 1 1 76 76 ASP HB2 H 1 2.811 . . . . . . . A 76 ASP HB2 . 36045 1 823 . 1 1 76 76 ASP HB3 H 1 2.940 . . . . . . . A 76 ASP HB3 . 36045 1 824 . 1 1 76 76 ASP C C 13 179.373 . . . . . . . A 76 ASP C . 36045 1 825 . 1 1 76 76 ASP CA C 13 56.861 . . . . . . . A 76 ASP CA . 36045 1 826 . 1 1 76 76 ASP CB C 13 38.820 . . . . . . . A 76 ASP CB . 36045 1 827 . 1 1 76 76 ASP N N 15 121.376 . . . . . . . A 76 ASP N . 36045 1 828 . 1 1 77 77 LYS H H 1 7.720 . . . . . . . A 77 LYS H . 36045 1 829 . 1 1 77 77 LYS HA H 1 4.228 . . . . . . . A 77 LYS HA . 36045 1 830 . 1 1 77 77 LYS HB2 H 1 1.640 . . . . . . . A 77 LYS HB2 . 36045 1 831 . 1 1 77 77 LYS HB3 H 1 2.134 . . . . . . . A 77 LYS HB3 . 36045 1 832 . 1 1 77 77 LYS HG2 H 1 1.613 . . . . . . . A 77 LYS HG2 . 36045 1 833 . 1 1 77 77 LYS HG3 H 1 1.423 . . . . . . . A 77 LYS HG3 . 36045 1 834 . 1 1 77 77 LYS HD2 H 1 1.555 . . . . . . . A 77 LYS HD2 . 36045 1 835 . 1 1 77 77 LYS HD3 H 1 1.781 . . . . . . . A 77 LYS HD3 . 36045 1 836 . 1 1 77 77 LYS HE2 H 1 2.950 . . . . . . . A 77 LYS HE2 . 36045 1 837 . 1 1 77 77 LYS HE3 H 1 2.830 . . . . . . . A 77 LYS HE3 . 36045 1 838 . 1 1 77 77 LYS C C 13 179.296 . . . . . . . A 77 LYS C . 36045 1 839 . 1 1 77 77 LYS CA C 13 57.500 . . . . . . . A 77 LYS CA . 36045 1 840 . 1 1 77 77 LYS CB C 13 31.200 . . . . . . . A 77 LYS CB . 36045 1 841 . 1 1 77 77 LYS CG C 13 24.362 . . . . . . . A 77 LYS CG . 36045 1 842 . 1 1 77 77 LYS CD C 13 28.262 . . . . . . . A 77 LYS CD . 36045 1 843 . 1 1 77 77 LYS CE C 13 42.295 . . . . . . . A 77 LYS CE . 36045 1 844 . 1 1 77 77 LYS N N 15 123.069 . . . . . . . A 77 LYS N . 36045 1 845 . 1 1 78 78 VAL H H 1 8.092 . . . . . . . A 78 VAL H . 36045 1 846 . 1 1 78 78 VAL HA H 1 3.283 . . . . . . . A 78 VAL HA . 36045 1 847 . 1 1 78 78 VAL HB H 1 1.759 . . . . . . . A 78 VAL HB . 36045 1 848 . 1 1 78 78 VAL HG11 H 1 0.079 . . . . . . . A 78 VAL HG11 . 36045 1 849 . 1 1 78 78 VAL HG12 H 1 0.079 . . . . . . . A 78 VAL HG12 . 36045 1 850 . 1 1 78 78 VAL HG13 H 1 0.079 . . . . . . . A 78 VAL HG13 . 36045 1 851 . 1 1 78 78 VAL HG21 H 1 0.703 . . . . . . . A 78 VAL HG21 . 36045 1 852 . 1 1 78 78 VAL HG22 H 1 0.703 . . . . . . . A 78 VAL HG22 . 36045 1 853 . 1 1 78 78 VAL HG23 H 1 0.703 . . . . . . . A 78 VAL HG23 . 36045 1 854 . 1 1 78 78 VAL C C 13 177.084 . . . . . . . A 78 VAL C . 36045 1 855 . 1 1 78 78 VAL CA C 13 66.727 . . . . . . . A 78 VAL CA . 36045 1 856 . 1 1 78 78 VAL CB C 13 31.400 . . . . . . . A 78 VAL CB . 36045 1 857 . 1 1 78 78 VAL CG1 C 13 23.519 . . . . . . . A 78 VAL CG1 . 36045 1 858 . 1 1 78 78 VAL CG2 C 13 20.898 . . . . . . . A 78 VAL CG2 . 36045 1 859 . 1 1 78 78 VAL N N 15 120.633 . . . . . . . A 78 VAL N . 36045 1 860 . 1 1 79 79 LYS H H 1 7.720 . . . . . . . A 79 LYS H . 36045 1 861 . 1 1 79 79 LYS HA H 1 3.992 . . . . . . . A 79 LYS HA . 36045 1 862 . 1 1 79 79 LYS HB3 H 1 1.844 . . . . . . . A 79 LYS HB3 . 36045 1 863 . 1 1 79 79 LYS HG2 H 1 1.357 . . . . . . . A 79 LYS HG2 . 36045 1 864 . 1 1 79 79 LYS HG3 H 1 1.495 . . . . . . . A 79 LYS HG3 . 36045 1 865 . 1 1 79 79 LYS HD2 H 1 1.521 . . . . . . . A 79 LYS HD2 . 36045 1 866 . 1 1 79 79 LYS HD3 H 1 1.616 . . . . . . . A 79 LYS HD3 . 36045 1 867 . 1 1 79 79 LYS HE2 H 1 2.920 . . . . . . . A 79 LYS HE2 . 36045 1 868 . 1 1 79 79 LYS HE3 H 1 2.950 . . . . . . . A 79 LYS HE3 . 36045 1 869 . 1 1 79 79 LYS C C 13 179.024 . . . . . . . A 79 LYS C . 36045 1 870 . 1 1 79 79 LYS CA C 13 59.774 . . . . . . . A 79 LYS CA . 36045 1 871 . 1 1 79 79 LYS CB C 13 32.400 . . . . . . . A 79 LYS CB . 36045 1 872 . 1 1 79 79 LYS CG C 13 24.736 . . . . . . . A 79 LYS CG . 36045 1 873 . 1 1 79 79 LYS CD C 13 29.511 . . . . . . . A 79 LYS CD . 36045 1 874 . 1 1 79 79 LYS CE C 13 42.335 . . . . . . . A 79 LYS CE . 36045 1 875 . 1 1 79 79 LYS N N 15 118.748 . . . . . . . A 79 LYS N . 36045 1 876 . 1 1 80 80 GLY H H 1 7.973 . . . . . . . A 80 GLY H . 36045 1 877 . 1 1 80 80 GLY HA2 H 1 3.885 . . . . . . . A 80 GLY HA2 . 36045 1 878 . 1 1 80 80 GLY HA3 H 1 3.982 . . . . . . . A 80 GLY HA3 . 36045 1 879 . 1 1 80 80 GLY C C 13 177.046 . . . . . . . A 80 GLY C . 36045 1 880 . 1 1 80 80 GLY CA C 13 47.100 . . . . . . . A 80 GLY CA . 36045 1 881 . 1 1 80 80 GLY N N 15 104.476 . . . . . . . A 80 GLY N . 36045 1 882 . 1 1 81 81 GLU H H 1 8.045 . . . . . . . A 81 GLU H . 36045 1 883 . 1 1 81 81 GLU HA H 1 4.239 . . . . . . . A 81 GLU HA . 36045 1 884 . 1 1 81 81 GLU HB2 H 1 1.920 . . . . . . . A 81 GLU HB2 . 36045 1 885 . 1 1 81 81 GLU HB3 H 1 2.059 . . . . . . . A 81 GLU HB3 . 36045 1 886 . 1 1 81 81 GLU HG2 H 1 2.107 . . . . . . . A 81 GLU HG2 . 36045 1 887 . 1 1 81 81 GLU HG3 H 1 2.570 . . . . . . . A 81 GLU HG3 . 36045 1 888 . 1 1 81 81 GLU C C 13 178.442 . . . . . . . A 81 GLU C . 36045 1 889 . 1 1 81 81 GLU CA C 13 57.800 . . . . . . . A 81 GLU CA . 36045 1 890 . 1 1 81 81 GLU CB C 13 28.246 . . . . . . . A 81 GLU CB . 36045 1 891 . 1 1 81 81 GLU CG C 13 33.442 . . . . . . . A 81 GLU CG . 36045 1 892 . 1 1 81 81 GLU N N 15 119.495 . . . . . . . A 81 GLU N . 36045 1 893 . 1 1 82 82 TRP H H 1 8.877 . . . . . . . A 82 TRP H . 36045 1 894 . 1 1 82 82 TRP HA H 1 4.164 . . . . . . . A 82 TRP HA . 36045 1 895 . 1 1 82 82 TRP HB3 H 1 3.288 . . . . . . . A 82 TRP HB3 . 36045 1 896 . 1 1 82 82 TRP C C 13 178.054 . . . . . . . A 82 TRP C . 36045 1 897 . 1 1 82 82 TRP CA C 13 60.541 . . . . . . . A 82 TRP CA . 36045 1 898 . 1 1 82 82 TRP CB C 13 28.900 . . . . . . . A 82 TRP CB . 36045 1 899 . 1 1 82 82 TRP N N 15 122.496 . . . . . . . A 82 TRP N . 36045 1 900 . 1 1 83 83 ASP H H 1 8.195 . . . . . . . A 83 ASP H . 36045 1 901 . 1 1 83 83 ASP HA H 1 4.390 . . . . . . . A 83 ASP HA . 36045 1 902 . 1 1 83 83 ASP HB2 H 1 2.832 . . . . . . . A 83 ASP HB2 . 36045 1 903 . 1 1 83 83 ASP HB3 H 1 2.929 . . . . . . . A 83 ASP HB3 . 36045 1 904 . 1 1 83 83 ASP C C 13 177.356 . . . . . . . A 83 ASP C . 36045 1 905 . 1 1 83 83 ASP CA C 13 56.151 . . . . . . . A 83 ASP CA . 36045 1 906 . 1 1 83 83 ASP CB C 13 38.838 . . . . . . . A 83 ASP CB . 36045 1 907 . 1 1 83 83 ASP N N 15 115.969 . . . . . . . A 83 ASP N . 36045 1 908 . 1 1 84 84 LYS H H 1 7.362 . . . . . . . A 84 LYS H . 36045 1 909 . 1 1 84 84 LYS HA H 1 4.110 . . . . . . . A 84 LYS HA . 36045 1 910 . 1 1 84 84 LYS HB3 H 1 1.909 . . . . . . . A 84 LYS HB3 . 36045 1 911 . 1 1 84 84 LYS HG2 H 1 1.393 . . . . . . . A 84 LYS HG2 . 36045 1 912 . 1 1 84 84 LYS HG3 H 1 1.590 . . . . . . . A 84 LYS HG3 . 36045 1 913 . 1 1 84 84 LYS HD2 H 1 1.594 . . . . . . . A 84 LYS HD2 . 36045 1 914 . 1 1 84 84 LYS HD3 H 1 1.675 . . . . . . . A 84 LYS HD3 . 36045 1 915 . 1 1 84 84 LYS HE3 H 1 2.961 . . . . . . . A 84 LYS HE3 . 36045 1 916 . 1 1 84 84 LYS C C 13 178.054 . . . . . . . A 84 LYS C . 36045 1 917 . 1 1 84 84 LYS CA C 13 58.475 . . . . . . . A 84 LYS CA . 36045 1 918 . 1 1 84 84 LYS CB C 13 33.000 . . . . . . . A 84 LYS CB . 36045 1 919 . 1 1 84 84 LYS CG C 13 25.204 . . . . . . . A 84 LYS CG . 36045 1 920 . 1 1 84 84 LYS CD C 13 29.417 . . . . . . . A 84 LYS CD . 36045 1 921 . 1 1 84 84 LYS CE C 13 42.242 . . . . . . . A 84 LYS CE . 36045 1 922 . 1 1 84 84 LYS N N 15 118.604 . . . . . . . A 84 LYS N . 36045 1 923 . 1 1 85 85 ILE H H 1 7.503 . . . . . . . A 85 ILE H . 36045 1 924 . 1 1 85 85 ILE HA H 1 4.057 . . . . . . . A 85 ILE HA . 36045 1 925 . 1 1 85 85 ILE HB H 1 1.780 . . . . . . . A 85 ILE HB . 36045 1 926 . 1 1 85 85 ILE HG12 H 1 1.139 . . . . . . . A 85 ILE HG12 . 36045 1 927 . 1 1 85 85 ILE HG13 H 1 1.236 . . . . . . . A 85 ILE HG13 . 36045 1 928 . 1 1 85 85 ILE HG21 H 1 0.737 . . . . . . . A 85 ILE HG21 . 36045 1 929 . 1 1 85 85 ILE HG22 H 1 0.737 . . . . . . . A 85 ILE HG22 . 36045 1 930 . 1 1 85 85 ILE HG23 H 1 0.737 . . . . . . . A 85 ILE HG23 . 36045 1 931 . 1 1 85 85 ILE HD11 H 1 0.508 . . . . . . . A 85 ILE HD11 . 36045 1 932 . 1 1 85 85 ILE HD12 H 1 0.508 . . . . . . . A 85 ILE HD12 . 36045 1 933 . 1 1 85 85 ILE HD13 H 1 0.508 . . . . . . . A 85 ILE HD13 . 36045 1 934 . 1 1 85 85 ILE C C 13 177.356 . . . . . . . A 85 ILE C . 36045 1 935 . 1 1 85 85 ILE CA C 13 62.400 . . . . . . . A 85 ILE CA . 36045 1 936 . 1 1 85 85 ILE CB C 13 38.195 . . . . . . . A 85 ILE CB . 36045 1 937 . 1 1 85 85 ILE CG1 C 13 27.826 . . . . . . . A 85 ILE CG1 . 36045 1 938 . 1 1 85 85 ILE CG2 C 13 17.715 . . . . . . . A 85 ILE CG2 . 36045 1 939 . 1 1 85 85 ILE CD1 C 13 13.128 . . . . . . . A 85 ILE CD1 . 36045 1 940 . 1 1 85 85 ILE N N 15 117.184 . . . . . . . A 85 ILE N . 36045 1 941 . 1 1 86 86 LYS H H 1 7.928 . . . . . . . A 86 LYS H . 36045 1 942 . 1 1 86 86 LYS HA H 1 3.992 . . . . . . . A 86 LYS HA . 36045 1 943 . 1 1 86 86 LYS HB2 H 1 1.510 . . . . . . . A 86 LYS HB2 . 36045 1 944 . 1 1 86 86 LYS HB3 H 1 1.558 . . . . . . . A 86 LYS HB3 . 36045 1 945 . 1 1 86 86 LYS HG2 H 1 1.177 . . . . . . . A 86 LYS HG2 . 36045 1 946 . 1 1 86 86 LYS HG3 H 1 1.616 . . . . . . . A 86 LYS HG3 . 36045 1 947 . 1 1 86 86 LYS HD2 H 1 1.535 . . . . . . . A 86 LYS HD2 . 36045 1 948 . 1 1 86 86 LYS HD3 H 1 1.501 . . . . . . . A 86 LYS HD3 . 36045 1 949 . 1 1 86 86 LYS HE2 H 1 2.951 . . . . . . . A 86 LYS HE2 . 36045 1 950 . 1 1 86 86 LYS HE3 H 1 2.831 . . . . . . . A 86 LYS HE3 . 36045 1 951 . 1 1 86 86 LYS C C 13 177.084 . . . . . . . A 86 LYS C . 36045 1 952 . 1 1 86 86 LYS CA C 13 57.073 . . . . . . . A 86 LYS CA . 36045 1 953 . 1 1 86 86 LYS CB C 13 31.953 . . . . . . . A 86 LYS CB . 36045 1 954 . 1 1 86 86 LYS CG C 13 24.268 . . . . . . . A 86 LYS CG . 36045 1 955 . 1 1 86 86 LYS CD C 13 28.949 . . . . . . . A 86 LYS CD . 36045 1 956 . 1 1 86 86 LYS CE C 13 42.055 . . . . . . . A 86 LYS CE . 36045 1 957 . 1 1 86 86 LYS N N 15 122.569 . . . . . . . A 86 LYS N . 36045 1 958 . 1 1 87 87 LYS H H 1 7.841 . . . . . . . A 87 LYS H . 36045 1 959 . 1 1 87 87 LYS HA H 1 4.218 . . . . . . . A 87 LYS HA . 36045 1 960 . 1 1 87 87 LYS HB2 H 1 1.742 . . . . . . . A 87 LYS HB2 . 36045 1 961 . 1 1 87 87 LYS HB3 H 1 1.812 . . . . . . . A 87 LYS HB3 . 36045 1 962 . 1 1 87 87 LYS HG3 H 1 1.408 . . . . . . . A 87 LYS HG3 . 36045 1 963 . 1 1 87 87 LYS HD3 H 1 1.663 . . . . . . . A 87 LYS HD3 . 36045 1 964 . 1 1 87 87 LYS HE2 H 1 2.949 . . . . . . . A 87 LYS HE2 . 36045 1 965 . 1 1 87 87 LYS HE3 H 1 2.991 . . . . . . . A 87 LYS HE3 . 36045 1 966 . 1 1 87 87 LYS C C 13 176.503 . . . . . . . A 87 LYS C . 36045 1 967 . 1 1 87 87 LYS CA C 13 57.029 . . . . . . . A 87 LYS CA . 36045 1 968 . 1 1 87 87 LYS CB C 13 32.457 . . . . . . . A 87 LYS CB . 36045 1 969 . 1 1 87 87 LYS CG C 13 24.924 . . . . . . . A 87 LYS CG . 36045 1 970 . 1 1 87 87 LYS CD C 13 29.042 . . . . . . . A 87 LYS CD . 36045 1 971 . 1 1 87 87 LYS CE C 13 42.055 . . . . . . . A 87 LYS CE . 36045 1 972 . 1 1 87 87 LYS N N 15 120.434 . . . . . . . A 87 LYS N . 36045 1 973 . 1 1 88 88 ASP H H 1 8.135 . . . . . . . A 88 ASP H . 36045 1 974 . 1 1 88 88 ASP HA H 1 4.722 . . . . . . . A 88 ASP HA . 36045 1 975 . 1 1 88 88 ASP HB2 H 1 2.789 . . . . . . . A 88 ASP HB2 . 36045 1 976 . 1 1 88 88 ASP HB3 H 1 2.961 . . . . . . . A 88 ASP HB3 . 36045 1 977 . 1 1 88 88 ASP C C 13 174.679 . . . . . . . A 88 ASP C . 36045 1 978 . 1 1 88 88 ASP CA C 13 53.382 . . . . . . . A 88 ASP CA . 36045 1 979 . 1 1 88 88 ASP CB C 13 38.857 . . . . . . . A 88 ASP CB . 36045 1 980 . 1 1 88 88 ASP N N 15 119.211 . . . . . . . A 88 ASP N . 36045 1 981 . 1 1 89 89 MET H H 1 7.824 . . . . . . . A 89 MET H . 36045 1 982 . 1 1 89 89 MET CA C 13 56.300 . . . . . . . A 89 MET CA . 36045 1 983 . 1 1 89 89 MET CB C 13 33.557 . . . . . . . A 89 MET CB . 36045 1 984 . 1 1 89 89 MET N N 15 123.433 . . . . . . . A 89 MET N . 36045 1 stop_ save_