data_17667 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17667 _Entry.Title ; 1H, 13C & 13N chemical shift assignments for Toxoplasma gondii Microneme protein 4 (MIC4) residues 410-491 (apple domain 5) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-25 _Entry.Accession_date 2011-05-25 _Entry.Last_release_date 2011-06-24 _Entry.Original_release_date 2011-06-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Steve Matthews . . Prof. 17667 2 Simpson Pete . . Dr. 17667 3 Marchant Jan . . Dr. 17667 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17667 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 17667 '15N chemical shifts' 73 17667 '1H chemical shifts' 452 17667 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-06-24 2011-05-25 original author . 17667 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LL4 'BMRB Entry Tracking System' 17667 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17667 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'TgMIC4-apple5 assignments' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ben Cowper . . . 17667 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17667 _Assembly.ID 1 _Assembly.Name 'TgMIC4-apple5 monomer' _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 TgMIC4-apple5 1 $TgMIC4-apple5 A . yes native no no . . . 17667 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 79 79 SG . . . . . . . . . . 17667 1 2 disulfide single . 1 . 1 CYS 35 35 SG . 1 . 1 CYS 57 57 SG . . . . . . . . . . 17667 1 3 disulfide single . 1 . 1 CYS 39 39 SG . 1 . 1 CYS 45 45 SG . . . . . . . . . . 17667 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TgMIC4-apple5 _Entity.Sf_category entity _Entity.Sf_framecode TgMIC4-apple5 _Entity.Entry_ID 17667 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TgMIC4-apple5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SPDFHDEVECVHTGNIGSKA QTIGEVKRASSLSECRARCQ AEKECSHYTYNVKSGLCYPK RGKPQFYKYLGDMTGSRTCD TS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment TgMIC4-apple5 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LL3 . "The Solution Structure Of Tgmic4 Apple-5 Domain" . . . . . 100.00 82 100.00 100.00 4.31e-53 . . . . 17667 1 2 no PDB 2LL4 . "Haddock Structure Of Tgmic4-A5LACTO-N-Biose Complex, Based On Noe- Derived Distance Restraints" . . . . . 100.00 82 100.00 100.00 4.31e-53 . . . . 17667 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 17667 1 2 . PRO . 17667 1 3 . ASP . 17667 1 4 . PHE . 17667 1 5 . HIS . 17667 1 6 . ASP . 17667 1 7 . GLU . 17667 1 8 . VAL . 17667 1 9 . GLU . 17667 1 10 . CYS . 17667 1 11 . VAL . 17667 1 12 . HIS . 17667 1 13 . THR . 17667 1 14 . GLY . 17667 1 15 . ASN . 17667 1 16 . ILE . 17667 1 17 . GLY . 17667 1 18 . SER . 17667 1 19 . LYS . 17667 1 20 . ALA . 17667 1 21 . GLN . 17667 1 22 . THR . 17667 1 23 . ILE . 17667 1 24 . GLY . 17667 1 25 . GLU . 17667 1 26 . VAL . 17667 1 27 . LYS . 17667 1 28 . ARG . 17667 1 29 . ALA . 17667 1 30 . SER . 17667 1 31 . SER . 17667 1 32 . LEU . 17667 1 33 . SER . 17667 1 34 . GLU . 17667 1 35 . CYS . 17667 1 36 . ARG . 17667 1 37 . ALA . 17667 1 38 . ARG . 17667 1 39 . CYS . 17667 1 40 . GLN . 17667 1 41 . ALA . 17667 1 42 . GLU . 17667 1 43 . LYS . 17667 1 44 . GLU . 17667 1 45 . CYS . 17667 1 46 . SER . 17667 1 47 . HIS . 17667 1 48 . TYR . 17667 1 49 . THR . 17667 1 50 . TYR . 17667 1 51 . ASN . 17667 1 52 . VAL . 17667 1 53 . LYS . 17667 1 54 . SER . 17667 1 55 . GLY . 17667 1 56 . LEU . 17667 1 57 . CYS . 17667 1 58 . TYR . 17667 1 59 . PRO . 17667 1 60 . LYS . 17667 1 61 . ARG . 17667 1 62 . GLY . 17667 1 63 . LYS . 17667 1 64 . PRO . 17667 1 65 . GLN . 17667 1 66 . PHE . 17667 1 67 . TYR . 17667 1 68 . LYS . 17667 1 69 . TYR . 17667 1 70 . LEU . 17667 1 71 . GLY . 17667 1 72 . ASP . 17667 1 73 . MET . 17667 1 74 . THR . 17667 1 75 . GLY . 17667 1 76 . SER . 17667 1 77 . ARG . 17667 1 78 . THR . 17667 1 79 . CYS . 17667 1 80 . ASP . 17667 1 81 . THR . 17667 1 82 . SER . 17667 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 . SER 1 1 17667 1 . PRO 2 2 17667 1 . ASP 3 3 17667 1 . PHE 4 4 17667 1 . HIS 5 5 17667 1 . ASP 6 6 17667 1 . GLU 7 7 17667 1 . VAL 8 8 17667 1 . GLU 9 9 17667 1 . CYS 10 10 17667 1 . VAL 11 11 17667 1 . HIS 12 12 17667 1 . THR 13 13 17667 1 . GLY 14 14 17667 1 . ASN 15 15 17667 1 . ILE 16 16 17667 1 . GLY 17 17 17667 1 . SER 18 18 17667 1 . LYS 19 19 17667 1 . ALA 20 20 17667 1 . GLN 21 21 17667 1 . THR 22 22 17667 1 . ILE 23 23 17667 1 . GLY 24 24 17667 1 . GLU 25 25 17667 1 . VAL 26 26 17667 1 . LYS 27 27 17667 1 . ARG 28 28 17667 1 . ALA 29 29 17667 1 . SER 30 30 17667 1 . SER 31 31 17667 1 . LEU 32 32 17667 1 . SER 33 33 17667 1 . GLU 34 34 17667 1 . CYS 35 35 17667 1 . ARG 36 36 17667 1 . ALA 37 37 17667 1 . ARG 38 38 17667 1 . CYS 39 39 17667 1 . GLN 40 40 17667 1 . ALA 41 41 17667 1 . GLU 42 42 17667 1 . LYS 43 43 17667 1 . GLU 44 44 17667 1 . CYS 45 45 17667 1 . SER 46 46 17667 1 . HIS 47 47 17667 1 . TYR 48 48 17667 1 . THR 49 49 17667 1 . TYR 50 50 17667 1 . ASN 51 51 17667 1 . VAL 52 52 17667 1 . LYS 53 53 17667 1 . SER 54 54 17667 1 . GLY 55 55 17667 1 . LEU 56 56 17667 1 . CYS 57 57 17667 1 . TYR 58 58 17667 1 . PRO 59 59 17667 1 . LYS 60 60 17667 1 . ARG 61 61 17667 1 . GLY 62 62 17667 1 . LYS 63 63 17667 1 . PRO 64 64 17667 1 . GLN 65 65 17667 1 . PHE 66 66 17667 1 . TYR 67 67 17667 1 . LYS 68 68 17667 1 . TYR 69 69 17667 1 . LEU 70 70 17667 1 . GLY 71 71 17667 1 . ASP 72 72 17667 1 . MET 73 73 17667 1 . THR 74 74 17667 1 . GLY 75 75 17667 1 . SER 76 76 17667 1 . ARG 77 77 17667 1 . THR 78 78 17667 1 . CYS 79 79 17667 1 . ASP 80 80 17667 1 . THR 81 81 17667 1 . SER 82 82 17667 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 17667 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TgMIC4-apple5 . 5811 organism . 'Toxoplasma gondii' 'Toxoplasma gondii' . . Eukaryota . Toxoplasma gondii . . . . . . . . . . . . . . . . . . . . . 17667 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 17667 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TgMIC4-apple5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET-32 Xa/LIC' . . . . . . 17667 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17667 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TgMIC4-apple5 '[U-98% 13C; U-98% 15N]' . . 1 $TgMIC4-apple5 . . . 100 200 mM . . . . 17667 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17667 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17667 1 4 H20 'natural abundance' . . . . . . 90 . . % . . . . 17667 1 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 17667 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17667 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TgMIC4-apple5 '[U-98% 13C; U-98% 15N]' . . 1 $TgMIC4-apple5 . . 100-200 . . mM . . . . 17667 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17667 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17667 2 4 H20 'natural abundance' . . . . . . 90 . . % . . . . 17667 2 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 17667 2 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 17667 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.7 . M 17667 1 pH 6.5 . pH 17667 1 pressure 1 . atm 17667 1 temperature 303 . K 17667 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17667 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17667 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17667 1 'data analysis' 17667 1 'peak picking' 17667 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17667 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17667 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17667 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 17667 1 2 spectrometer_2 Bruker Avance . 800 . . . 17667 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 17667 _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 . . . . . . . . . . . . . . . . . . . . . 17667 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17667 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17667 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17667 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17667 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17667 1 7 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17667 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17667 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17667 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17667 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17667 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 17667 1 H 1 water protons . . . . ppm 4.725 external direct 1.000000000 . . . . . . . . . 17667 1 N 15 water protons . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 17667 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17667 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17667 1 2 '3D CBCA(CO)NH' . . . 17667 1 3 '3D HNCACB' . . . 17667 1 4 '3D HN(CO)CA' . . . 17667 1 5 '3D HNCA' . . . 17667 1 6 '3D HBHA(CO)NH' . . . 17667 1 7 '3D C(CO)NH' . . . 17667 1 8 '3D HCCH-TOCSY' . . . 17667 1 9 '3D 1H-15N NOESY' . . . 17667 1 10 '3D 1H-13C NOESY' . . . 17667 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 HIS C C 13 174.436 . . 1 . . . . 5 H C . 17667 1 2 . 1 1 5 5 HIS CA C 13 56.372 . . 1 . . . . 5 H CA . 17667 1 3 . 1 1 5 5 HIS CB C 13 30.120 . . 1 . . . . 5 H CB . 17667 1 4 . 1 1 6 6 ASP H H 1 8.157 . . 1 . . . . 6 D HN . 17667 1 5 . 1 1 6 6 ASP HA H 1 4.56 . . 1 . . . . 6 D HA . 17667 1 6 . 1 1 6 6 ASP HB2 H 1 2.7 . . 2 . . . . 6 D HB1 . 17667 1 7 . 1 1 6 6 ASP HB3 H 1 2.61 . . 2 . . . . 6 D HB2 . 17667 1 8 . 1 1 6 6 ASP C C 13 176.052 . . 1 . . . . 6 D C . 17667 1 9 . 1 1 6 6 ASP CA C 13 54.589 . . 1 . . . . 6 D CA . 17667 1 10 . 1 1 6 6 ASP CB C 13 41.565 . . 1 . . . . 6 D CB . 17667 1 11 . 1 1 6 6 ASP N N 15 121.137 . . 1 . . . . 6 D N . 17667 1 12 . 1 1 7 7 GLU H H 1 8.310 . . 1 . . . . 7 E HN . 17667 1 13 . 1 1 7 7 GLU CA C 13 56.684 . . 1 . . . . 7 E CA . 17667 1 14 . 1 1 7 7 GLU CB C 13 30.642 . . 1 . . . . 7 E CB . 17667 1 15 . 1 1 7 7 GLU N N 15 120.657 . . 1 . . . . 7 E N . 17667 1 16 . 1 1 8 8 VAL H H 1 8.187 . . 1 . . . . 8 V HN . 17667 1 17 . 1 1 8 8 VAL HA H 1 4.09 . . 1 . . . . 8 V HA . 17667 1 18 . 1 1 8 8 VAL HB H 1 2.07 . . 1 . . . . 8 V HB . 17667 1 19 . 1 1 8 8 VAL HG11 H 1 0.92 . . 2 . . . . 8 V HG11 . 17667 1 20 . 1 1 8 8 VAL HG12 H 1 0.92 . . 2 . . . . 8 V HG11 . 17667 1 21 . 1 1 8 8 VAL HG13 H 1 0.92 . . 2 . . . . 8 V HG11 . 17667 1 22 . 1 1 8 8 VAL HG21 H 1 0.92 . . 2 . . . . 8 V HG21 . 17667 1 23 . 1 1 8 8 VAL HG22 H 1 0.92 . . 2 . . . . 8 V HG21 . 17667 1 24 . 1 1 8 8 VAL HG23 H 1 0.92 . . 2 . . . . 8 V HG21 . 17667 1 25 . 1 1 8 8 VAL C C 13 176.033 . . 1 . . . . 8 V C . 17667 1 26 . 1 1 8 8 VAL CA C 13 62.418 . . 1 . . . . 8 V CA . 17667 1 27 . 1 1 8 8 VAL CB C 13 32.728 . . 1 . . . . 8 V CB . 17667 1 28 . 1 1 8 8 VAL CG1 C 13 21.0 . . 2 . . . . 8 V CG1 . 17667 1 29 . 1 1 8 8 VAL CG2 C 13 21.0 . . 2 . . . . 8 V CG2 . 17667 1 30 . 1 1 8 8 VAL N N 15 120.844 . . 1 . . . . 8 V N . 17667 1 31 . 1 1 9 9 GLU H H 1 8.479 . . 1 . . . . 9 E HN . 17667 1 32 . 1 1 9 9 GLU C C 13 175.884 . . 1 . . . . 9 E C . 17667 1 33 . 1 1 9 9 GLU CA C 13 57.057 . . 1 . . . . 9 E CA . 17667 1 34 . 1 1 9 9 GLU CB C 13 29.971 . . 1 . . . . 9 E CB . 17667 1 35 . 1 1 9 9 GLU CG C 13 35.9 . . 1 . . . . 9 E CG . 17667 1 36 . 1 1 9 9 GLU N N 15 123.333 . . 1 . . . . 9 E N . 17667 1 37 . 1 1 11 11 VAL C C 13 174.795 . . 1 . . . . 11 V C . 17667 1 38 . 1 1 11 11 VAL CA C 13 61.534 . . 1 . . . . 11 V CA . 17667 1 39 . 1 1 11 11 VAL CB C 13 34.000 . . 1 . . . . 11 V CB . 17667 1 40 . 1 1 12 12 HIS H H 1 8.949 . . 1 . . . . 12 H HN . 17667 1 41 . 1 1 12 12 HIS HA H 1 4.74 . . 1 . . . . 12 H HA . 17667 1 42 . 1 1 12 12 HIS HB2 H 1 2.98 . . 1 . . . . 12 H HB1 . 17667 1 43 . 1 1 12 12 HIS C C 13 175.003 . . 1 . . . . 12 H C . 17667 1 44 . 1 1 12 12 HIS CA C 13 55.416 . . 1 . . . . 12 H CA . 17667 1 45 . 1 1 12 12 HIS CB C 13 30.195 . . 1 . . . . 12 H CB . 17667 1 46 . 1 1 12 12 HIS N N 15 126.122 . . 1 . . . . 12 H N . 17667 1 47 . 1 1 13 13 THR H H 1 8.288 . . 1 . . . . 13 T HN . 17667 1 48 . 1 1 13 13 THR HA H 1 4.43 . . 1 . . . . 13 T HA . 17667 1 49 . 1 1 13 13 THR HB H 1 4.31 . . 1 . . . . 13 T HB . 17667 1 50 . 1 1 13 13 THR HG21 H 1 1.21 . . 1 . . . . 13 T HG21 . 17667 1 51 . 1 1 13 13 THR HG22 H 1 1.21 . . 1 . . . . 13 T HG21 . 17667 1 52 . 1 1 13 13 THR HG23 H 1 1.21 . . 1 . . . . 13 T HG21 . 17667 1 53 . 1 1 13 13 THR C C 13 172.467 . . 1 . . . . 13 T C . 17667 1 54 . 1 1 13 13 THR CA C 13 61.683 . . 1 . . . . 13 T CA . 17667 1 55 . 1 1 13 13 THR CB C 13 69.891 . . 1 . . . . 13 T CB . 17667 1 56 . 1 1 13 13 THR CG2 C 13 21.6 . . 1 . . . . 13 T CG2 . 17667 1 57 . 1 1 13 13 THR N N 15 114.233 . . 1 . . . . 13 T N . 17667 1 58 . 1 1 14 14 GLY H H 1 8.706 . . 1 . . . . 14 G HN . 17667 1 59 . 1 1 14 14 GLY HA2 H 1 4.29 . . 2 . . . . 14 G HA1 . 17667 1 60 . 1 1 14 14 GLY HA3 H 1 3.67 . . 2 . . . . 14 G HA2 . 17667 1 61 . 1 1 14 14 GLY C C 13 174.108 . . 1 . . . . 14 G C . 17667 1 62 . 1 1 14 14 GLY CA C 13 46.984 . . 1 . . . . 14 G CA . 17667 1 63 . 1 1 14 14 GLY N N 15 111.187 . . 1 . . . . 14 G N . 17667 1 64 . 1 1 15 15 ASN H H 1 8.385 . . 1 . . . . 15 N HN . 17667 1 65 . 1 1 15 15 ASN HA H 1 4.92 . . 1 . . . . 15 N HA . 17667 1 66 . 1 1 15 15 ASN HB2 H 1 3.25 . . 2 . . . . 15 N HB1 . 17667 1 67 . 1 1 15 15 ASN HB3 H 1 2.68 . . 2 . . . . 15 N HB2 . 17667 1 68 . 1 1 15 15 ASN C C 13 174.332 . . 1 . . . . 15 N C . 17667 1 69 . 1 1 15 15 ASN CA C 13 55.042 . . 1 . . . . 15 N CA . 17667 1 70 . 1 1 15 15 ASN CB C 13 36.94 . . 1 . . . . 15 N CB . 17667 1 71 . 1 1 15 15 ASN N N 15 117.800 . . 1 . . . . 15 N N . 17667 1 72 . 1 1 16 16 ILE H H 1 7.206 . . 1 . . . . 16 I HN . 17667 1 73 . 1 1 16 16 ILE HA H 1 4.70 . . 1 . . . . 16 I HA . 17667 1 74 . 1 1 16 16 ILE HB H 1 1.61 . . 1 . . . . 16 I HB . 17667 1 75 . 1 1 16 16 ILE HG12 H 1 1.19 . . 2 . . . . 16 I HG11 . 17667 1 76 . 1 1 16 16 ILE HG13 H 1 1.09 . . 2 . . . . 16 I HG12 . 17667 1 77 . 1 1 16 16 ILE HG21 H 1 0.63 . . 1 . . . . 16 I HG21 . 17667 1 78 . 1 1 16 16 ILE HG22 H 1 0.63 . . 1 . . . . 16 I HG21 . 17667 1 79 . 1 1 16 16 ILE HG23 H 1 0.63 . . 1 . . . . 16 I HG21 . 17667 1 80 . 1 1 16 16 ILE HD11 H 1 0.53 . . 1 . . . . 16 I HD11 . 17667 1 81 . 1 1 16 16 ILE HD12 H 1 0.53 . . 1 . . . . 16 I HD11 . 17667 1 82 . 1 1 16 16 ILE HD13 H 1 0.53 . . 1 . . . . 16 I HD11 . 17667 1 83 . 1 1 16 16 ILE C C 13 175.078 . . 1 . . . . 16 I C . 17667 1 84 . 1 1 16 16 ILE CA C 13 58.549 . . 1 . . . . 16 I CA . 17667 1 85 . 1 1 16 16 ILE CB C 13 39.447 . . 1 . . . . 16 I CB . 17667 1 86 . 1 1 16 16 ILE CG1 C 13 26.3 . . 1 . . . . 16 I CG1 . 17667 1 87 . 1 1 16 16 ILE CG2 C 13 18.2 . . 1 . . . . 16 I CG2 . 17667 1 88 . 1 1 16 16 ILE CD1 C 13 10.9 . . 1 . . . . 16 I CD1 . 17667 1 89 . 1 1 16 16 ILE N N 15 119.365 . . 1 . . . . 16 I N . 17667 1 90 . 1 1 17 17 GLY H H 1 8.814 . . 1 . . . . 17 G HN . 17667 1 91 . 1 1 17 17 GLY HA2 H 1 4.25 . . 2 . . . . 17 G HA1 . 17667 1 92 . 1 1 17 17 GLY HA3 H 1 3.66 . . 2 . . . . 17 G HA2 . 17667 1 93 . 1 1 17 17 GLY C C 13 172.750 . . 1 . . . . 17 G C . 17667 1 94 . 1 1 17 17 GLY CA C 13 44.223 . . 1 . . . . 17 G CA . 17667 1 95 . 1 1 17 17 GLY N N 15 116.651 . . 1 . . . . 17 G N . 17667 1 96 . 1 1 18 18 SER H H 1 7.266 . . 1 . . . . 18 S HN . 17667 1 97 . 1 1 18 18 SER HA H 1 5.56 . . 1 . . . . 18 S HA . 17667 1 98 . 1 1 18 18 SER HB2 H 1 3.66 . . 2 . . . . 18 S HB1 . 17667 1 99 . 1 1 18 18 SER HB3 H 1 3.66 . . 2 . . . . 18 S HB2 . 17667 1 100 . 1 1 18 18 SER C C 13 175.585 . . 1 . . . . 18 S C . 17667 1 101 . 1 1 18 18 SER CA C 13 54.371 . . 1 . . . . 18 S CA . 17667 1 102 . 1 1 18 18 SER CB C 13 65.340 . . 1 . . . . 18 S CB . 17667 1 103 . 1 1 18 18 SER N N 15 107.852 . . 1 . . . . 18 S N . 17667 1 104 . 1 1 19 19 LYS H H 1 9.292 . . 1 . . . . 19 K HN . 17667 1 105 . 1 1 19 19 LYS HA H 1 4.38 . . 1 . . . . 19 K HA . 17667 1 106 . 1 1 19 19 LYS HB2 H 1 1.85 . . 2 . . . . 19 K HB1 . 17667 1 107 . 1 1 19 19 LYS HB3 H 1 1.52 . . 2 . . . . 19 K HB2 . 17667 1 108 . 1 1 19 19 LYS HG2 H 1 1.07 . . 2 . . . . 19 K HG1 . 17667 1 109 . 1 1 19 19 LYS HG3 H 1 0.95 . . 2 . . . . 19 K HG2 . 17667 1 110 . 1 1 19 19 LYS HD2 H 1 1.27 . . 2 . . . . 19 K HD1 . 17667 1 111 . 1 1 19 19 LYS HD3 H 1 1.27 . . 2 . . . . 19 K HD2 . 17667 1 112 . 1 1 19 19 LYS HE2 H 1 2.38 . . 2 . . . . 19 K HE1 . 17667 1 113 . 1 1 19 19 LYS HE3 H 1 2.29 . . 2 . . . . 19 K HE2 . 17667 1 114 . 1 1 19 19 LYS C C 13 175.675 . . 1 . . . . 19 K C . 17667 1 115 . 1 1 19 19 LYS CA C 13 55.789 . . 1 . . . . 19 K CA . 17667 1 116 . 1 1 19 19 LYS CB C 13 32.284 . . 1 . . . . 19 K CB . 17667 1 117 . 1 1 19 19 LYS CG C 13 25.5 . . 1 . . . . 19 K CG . 17667 1 118 . 1 1 19 19 LYS CD C 13 28.9 . . 1 . . . . 19 K CD . 17667 1 119 . 1 1 19 19 LYS CE C 13 41.2 . . 1 . . . . 19 K CE . 17667 1 120 . 1 1 19 19 LYS N N 15 127.211 . . 1 . . . . 19 K N . 17667 1 121 . 1 1 20 20 ALA H H 1 7.720 . . 1 . . . . 20 A HN . 17667 1 122 . 1 1 20 20 ALA HA H 1 4.2 . . 1 . . . . 20 A HA . 17667 1 123 . 1 1 20 20 ALA HB1 H 1 1.69 . . 1 . . . . 20 A HB1 . 17667 1 124 . 1 1 20 20 ALA HB2 H 1 1.69 . . 1 . . . . 20 A HB1 . 17667 1 125 . 1 1 20 20 ALA HB3 H 1 1.69 . . 1 . . . . 20 A HB1 . 17667 1 126 . 1 1 20 20 ALA C C 13 175.675 . . 1 . . . . 20 A C . 17667 1 127 . 1 1 20 20 ALA CA C 13 52.804 . . 1 . . . . 20 A CA . 17667 1 128 . 1 1 20 20 ALA CB C 13 20.345 . . 1 . . . . 20 A CB . 17667 1 129 . 1 1 20 20 ALA N N 15 121.840 . . 1 . . . . 20 A N . 17667 1 130 . 1 1 21 21 GLN H H 1 8.422 . . 1 . . . . 21 Q HN . 17667 1 131 . 1 1 21 21 GLN HA H 1 4.03 . . 1 . . . . 21 Q HA . 17667 1 132 . 1 1 21 21 GLN HB2 H 1 1.96 . . 2 . . . . 21 Q HB1 . 17667 1 133 . 1 1 21 21 GLN HB3 H 1 1.96 . . 2 . . . . 21 Q HB2 . 17667 1 134 . 1 1 21 21 GLN HG2 H 1 2.41 . . 2 . . . . 21 Q HG1 . 17667 1 135 . 1 1 21 21 GLN HG3 H 1 2.48 . . 2 . . . . 21 Q HG2 . 17667 1 136 . 1 1 21 21 GLN C C 13 175.451 . . 1 . . . . 21 Q C . 17667 1 137 . 1 1 21 21 GLN CA C 13 57.057 . . 1 . . . . 21 Q CA . 17667 1 138 . 1 1 21 21 GLN CB C 13 29.747 . . 1 . . . . 21 Q CB . 17667 1 139 . 1 1 21 21 GLN CG C 13 33.9 . . 1 . . . . 21 Q CG . 17667 1 140 . 1 1 21 21 GLN N N 15 120.576 . . 1 . . . . 21 Q N . 17667 1 141 . 1 1 22 22 THR H H 1 8.419 . . 1 . . . . 22 T HN . 17667 1 142 . 1 1 22 22 THR HA H 1 4.77 . . 1 . . . . 22 T HA . 17667 1 143 . 1 1 22 22 THR HB H 1 4.1 . . 1 . . . . 22 T HB . 17667 1 144 . 1 1 22 22 THR HG21 H 1 1.36 . . 1 . . . . 22 T HG21 . 17667 1 145 . 1 1 22 22 THR HG22 H 1 1.36 . . 1 . . . . 22 T HG21 . 17667 1 146 . 1 1 22 22 THR HG23 H 1 1.36 . . 1 . . . . 22 T HG21 . 17667 1 147 . 1 1 22 22 THR C C 13 174.720 . . 1 . . . . 22 T C . 17667 1 148 . 1 1 22 22 THR CA C 13 62.280 . . 1 . . . . 22 T CA . 17667 1 149 . 1 1 22 22 THR CB C 13 69.891 . . 1 . . . . 22 T CB . 17667 1 150 . 1 1 22 22 THR CG2 C 13 23.5 . . 1 . . . . 22 T CG2 . 17667 1 151 . 1 1 22 22 THR N N 15 122.967 . . 1 . . . . 22 T N . 17667 1 152 . 1 1 23 23 ILE H H 1 9.007 . . 1 . . . . 23 I HN . 17667 1 153 . 1 1 23 23 ILE HA H 1 4.124 . . 1 . . . . 23 I HA . 17667 1 154 . 1 1 23 23 ILE HB H 1 1.51 . . 1 . . . . 23 I HB . 17667 1 155 . 1 1 23 23 ILE HG12 H 1 0.76 . . 2 . . . . 23 I HG11 . 17667 1 156 . 1 1 23 23 ILE HG13 H 1 1.48 . . 2 . . . . 23 I HG12 . 17667 1 157 . 1 1 23 23 ILE HG21 H 1 0.76 . . 1 . . . . 23 I HG21 . 17667 1 158 . 1 1 23 23 ILE HG22 H 1 0.76 . . 1 . . . . 23 I HG21 . 17667 1 159 . 1 1 23 23 ILE HG23 H 1 0.76 . . 1 . . . . 23 I HG21 . 17667 1 160 . 1 1 23 23 ILE HD11 H 1 0.60 . . 1 . . . . 23 I HD11 . 17667 1 161 . 1 1 23 23 ILE HD12 H 1 0.60 . . 1 . . . . 23 I HD11 . 17667 1 162 . 1 1 23 23 ILE HD13 H 1 0.60 . . 1 . . . . 23 I HD11 . 17667 1 163 . 1 1 23 23 ILE C C 13 174.630 . . 1 . . . . 23 I C . 17667 1 164 . 1 1 23 23 ILE CA C 13 60.361 . . 1 . . . . 23 I CA . 17667 1 165 . 1 1 23 23 ILE CB C 13 40.567 . . 1 . . . . 23 I CB . 17667 1 166 . 1 1 23 23 ILE CG1 C 13 27.0 . . 1 . . . . 23 I CG1 . 17667 1 167 . 1 1 23 23 ILE CG2 C 13 17.4 . . 1 . . . . 23 I CG2 . 17667 1 168 . 1 1 23 23 ILE CD1 C 13 14.9 . . 1 . . . . 23 I CD1 . 17667 1 169 . 1 1 23 23 ILE N N 15 128.189 . . 1 . . . . 23 I N . 17667 1 170 . 1 1 24 24 GLY H H 1 8.168 . . 1 . . . . 24 G HN . 17667 1 171 . 1 1 24 24 GLY HA2 H 1 3.97 . . 2 . . . . 24 G HA1 . 17667 1 172 . 1 1 24 24 GLY HA3 H 1 3.75 . . 2 . . . . 24 G HA2 . 17667 1 173 . 1 1 24 24 GLY C C 13 172.944 . . 1 . . . . 24 G C . 17667 1 174 . 1 1 24 24 GLY CA C 13 44.596 . . 1 . . . . 24 G CA . 17667 1 175 . 1 1 24 24 GLY N N 15 111.782 . . 1 . . . . 24 G N . 17667 1 176 . 1 1 25 25 GLU H H 1 8.186 . . 1 . . . . 25 E HN . 17667 1 177 . 1 1 25 25 GLU HA H 1 4.28 . . 1 . . . . 25 E HA . 17667 1 178 . 1 1 25 25 GLU HB2 H 1 1.88 . . 2 . . . . 25 E HB1 . 17667 1 179 . 1 1 25 25 GLU HB3 H 1 1.87 . . 2 . . . . 25 E HB2 . 17667 1 180 . 1 1 25 25 GLU HG2 H 1 2.14 . . 2 . . . . 25 E HG1 . 17667 1 181 . 1 1 25 25 GLU HG3 H 1 2.28 . . 2 . . . . 25 E HG2 . 17667 1 182 . 1 1 25 25 GLU C C 13 176.719 . . 1 . . . . 25 E C . 17667 1 183 . 1 1 25 25 GLU CA C 13 55.639 . . 1 . . . . 25 E CA . 17667 1 184 . 1 1 25 25 GLU CB C 13 31.016 . . 1 . . . . 25 E CB . 17667 1 185 . 1 1 25 25 GLU CG C 13 36.4 . . 1 . . . . 25 E CG . 17667 1 186 . 1 1 25 25 GLU N N 15 119.285 . . 1 . . . . 25 E N . 17667 1 187 . 1 1 26 26 VAL H H 1 8.584 . . 1 . . . . 26 V HN . 17667 1 188 . 1 1 26 26 VAL HA H 1 4.012 . . 1 . . . . 26 V HA . 17667 1 189 . 1 1 26 26 VAL HB H 1 1.89 . . 1 . . . . 26 V HB . 17667 1 190 . 1 1 26 26 VAL HG11 H 1 0.42 . . 2 . . . . 26 V HG11 . 17667 1 191 . 1 1 26 26 VAL HG12 H 1 0.42 . . 2 . . . . 26 V HG11 . 17667 1 192 . 1 1 26 26 VAL HG13 H 1 0.42 . . 2 . . . . 26 V HG11 . 17667 1 193 . 1 1 26 26 VAL HG21 H 1 0.94 . . 2 . . . . 26 V HG21 . 17667 1 194 . 1 1 26 26 VAL HG22 H 1 0.94 . . 2 . . . . 26 V HG21 . 17667 1 195 . 1 1 26 26 VAL HG23 H 1 0.94 . . 2 . . . . 26 V HG21 . 17667 1 196 . 1 1 26 26 VAL C C 13 175.033 . . 1 . . . . 26 V C . 17667 1 197 . 1 1 26 26 VAL CA C 13 63.444 . . 1 . . . . 26 V CA . 17667 1 198 . 1 1 26 26 VAL CB C 13 31.592 . . 1 . . . . 26 V CB . 17667 1 199 . 1 1 26 26 VAL CG1 C 13 21.0 . . 2 . . . . 26 V CG1 . 17667 1 200 . 1 1 26 26 VAL CG2 C 13 22.7 . . 2 . . . . 26 V CG2 . 17667 1 201 . 1 1 26 26 VAL N N 15 126.700 . . 1 . . . . 26 V N . 17667 1 202 . 1 1 27 27 LYS H H 1 8.052 . . 1 . . . . 27 K HN . 17667 1 203 . 1 1 27 27 LYS HA H 1 4.66 . . 1 . . . . 27 K HA . 17667 1 204 . 1 1 27 27 LYS HB2 H 1 1.93 . . 2 . . . . 27 K HB1 . 17667 1 205 . 1 1 27 27 LYS HB3 H 1 1.65 . . 2 . . . . 27 K HB2 . 17667 1 206 . 1 1 27 27 LYS HG2 H 1 1.37 . . 2 . . . . 27 K HG1 . 17667 1 207 . 1 1 27 27 LYS HG3 H 1 1.35 . . 2 . . . . 27 K HG2 . 17667 1 208 . 1 1 27 27 LYS HD2 H 1 1.68 . . 2 . . . . 27 K HD1 . 17667 1 209 . 1 1 27 27 LYS HD3 H 1 1.68 . . 2 . . . . 27 K HD2 . 17667 1 210 . 1 1 27 27 LYS HE2 H 1 2.9 . . 2 . . . . 27 K HE1 . 17667 1 211 . 1 1 27 27 LYS HE3 H 1 2.9 . . 2 . . . . 27 K HE2 . 17667 1 212 . 1 1 27 27 LYS C C 13 176.108 . . 1 . . . . 27 K C . 17667 1 213 . 1 1 27 27 LYS CA C 13 53.998 . . 1 . . . . 27 K CA . 17667 1 214 . 1 1 27 27 LYS CB C 13 36.463 . . 1 . . . . 27 K CB . 17667 1 215 . 1 1 27 27 LYS CG C 13 24.4 . . 1 . . . . 27 K CG . 17667 1 216 . 1 1 27 27 LYS CD C 13 29.1 . . 1 . . . . 27 K CD . 17667 1 217 . 1 1 27 27 LYS CE C 13 42.1 . . 1 . . . . 27 K CE . 17667 1 218 . 1 1 27 27 LYS N N 15 126.282 . . 1 . . . . 27 K N . 17667 1 219 . 1 1 28 28 ARG H H 1 8.685 . . 1 . . . . 28 R HN . 17667 1 220 . 1 1 28 28 ARG HA H 1 4.61 . . 1 . . . . 28 R HA . 17667 1 221 . 1 1 28 28 ARG HB2 H 1 1.75 . . 2 . . . . 28 R HB1 . 17667 1 222 . 1 1 28 28 ARG HB3 H 1 1.75 . . 2 . . . . 28 R HB2 . 17667 1 223 . 1 1 28 28 ARG HG2 H 1 1.61 . . 2 . . . . 28 R HG1 . 17667 1 224 . 1 1 28 28 ARG HG3 H 1 1.61 . . 2 . . . . 28 R HG2 . 17667 1 225 . 1 1 28 28 ARG HD2 H 1 3.22 . . 2 . . . . 28 R HD1 . 17667 1 226 . 1 1 28 28 ARG HD3 H 1 3.22 . . 2 . . . . 28 R HD2 . 17667 1 227 . 1 1 28 28 ARG C C 13 177.048 . . 1 . . . . 28 R C . 17667 1 228 . 1 1 28 28 ARG CA C 13 57.057 . . 1 . . . . 28 R CA . 17667 1 229 . 1 1 28 28 ARG CB C 13 31.090 . . 1 . . . . 28 R CB . 17667 1 230 . 1 1 28 28 ARG CG C 13 27.1 . . 1 . . . . 28 R CG . 17667 1 231 . 1 1 28 28 ARG CD C 13 43.2 . . 1 . . . . 28 R CD . 17667 1 232 . 1 1 28 28 ARG N N 15 122.239 . . 1 . . . . 28 R N . 17667 1 233 . 1 1 29 29 ALA H H 1 9.559 . . 1 . . . . 29 A HN . 17667 1 234 . 1 1 29 29 ALA HA H 1 4.89 . . 1 . . . . 29 A HA . 17667 1 235 . 1 1 29 29 ALA HB1 H 1 1.40 . . 1 . . . . 29 A HB1 . 17667 1 236 . 1 1 29 29 ALA HB2 H 1 1.40 . . 1 . . . . 29 A HB1 . 17667 1 237 . 1 1 29 29 ALA HB3 H 1 1.40 . . 1 . . . . 29 A HB1 . 17667 1 238 . 1 1 29 29 ALA C C 13 177.122 . . 1 . . . . 29 A C . 17667 1 239 . 1 1 29 29 ALA CA C 13 50.715 . . 1 . . . . 29 A CA . 17667 1 240 . 1 1 29 29 ALA CB C 13 22.435 . . 1 . . . . 29 A CB . 17667 1 241 . 1 1 29 29 ALA N N 15 126.043 . . 1 . . . . 29 A N . 17667 1 242 . 1 1 30 30 SER HA H 1 4.37 . . 1 . . . . 30 S HA . 17667 1 243 . 1 1 30 30 SER HB2 H 1 3.98 . . 2 . . . . 30 S HB1 . 17667 1 244 . 1 1 30 30 SER HB3 H 1 3.98 . . 2 . . . . 30 S HB2 . 17667 1 245 . 1 1 30 30 SER C C 13 173.184 . . 1 . . . . 30 S C . 17667 1 246 . 1 1 30 30 SER CA C 13 60.170 . . 1 . . . . 30 S CA . 17667 1 247 . 1 1 30 30 SER CB C 13 64.046 . . 1 . . . . 30 S CB . 17667 1 248 . 1 1 31 31 SER H H 1 7.154 . . 1 . . . . 31 S HN . 17667 1 249 . 1 1 31 31 SER HA H 1 4.5 . . 1 . . . . 31 S HA . 17667 1 250 . 1 1 31 31 SER HB2 H 1 4.00 . . 2 . . . . 31 S HB1 . 17667 1 251 . 1 1 31 31 SER HB3 H 1 4.10 . . 2 . . . . 31 S HB2 . 17667 1 252 . 1 1 31 31 SER C C 13 173.153 . . 1 . . . . 31 S C . 17667 1 253 . 1 1 31 31 SER CA C 13 56.527 . . 1 . . . . 31 S CA . 17667 1 254 . 1 1 31 31 SER CB C 13 65.984 . . 1 . . . . 31 S CB . 17667 1 255 . 1 1 31 31 SER N N 15 110.737 . . 1 . . . . 31 S N . 17667 1 256 . 1 1 32 32 LEU H H 1 8.731 . . 1 . . . . 32 L HN . 17667 1 257 . 1 1 32 32 LEU HA H 1 3.06 . . 1 . . . . 32 L HA . 17667 1 258 . 1 1 32 32 LEU HB2 H 1 1.69 . . 2 . . . . 32 L HB1 . 17667 1 259 . 1 1 32 32 LEU HB3 H 1 1.57 . . 2 . . . . 32 L HB2 . 17667 1 260 . 1 1 32 32 LEU HG H 1 1.61 . . 1 . . . . 32 L HG . 17667 1 261 . 1 1 32 32 LEU HD11 H 1 1.05 . . 2 . . . . 32 L HD11 . 17667 1 262 . 1 1 32 32 LEU HD12 H 1 1.05 . . 2 . . . . 32 L HD11 . 17667 1 263 . 1 1 32 32 LEU HD13 H 1 1.05 . . 2 . . . . 32 L HD11 . 17667 1 264 . 1 1 32 32 LEU HD21 H 1 0.93 . . 2 . . . . 32 L HD21 . 17667 1 265 . 1 1 32 32 LEU HD22 H 1 0.93 . . 2 . . . . 32 L HD21 . 17667 1 266 . 1 1 32 32 LEU HD23 H 1 0.93 . . 2 . . . . 32 L HD21 . 17667 1 267 . 1 1 32 32 LEU C C 13 178.625 . . 1 . . . . 32 L C . 17667 1 268 . 1 1 32 32 LEU CA C 13 57.845 . . 1 . . . . 32 L CA . 17667 1 269 . 1 1 32 32 LEU CB C 13 42.030 . . 1 . . . . 32 L CB . 17667 1 270 . 1 1 32 32 LEU CG C 13 26.7 . . 1 . . . . 32 L CG . 17667 1 271 . 1 1 32 32 LEU CD1 C 13 25.7 . . 2 . . . . 32 L CD1 . 17667 1 272 . 1 1 32 32 LEU CD2 C 13 26.1 . . 2 . . . . 32 L CD2 . 17667 1 273 . 1 1 32 32 LEU N N 15 122.752 . . 1 . . . . 32 L N . 17667 1 274 . 1 1 33 33 SER H H 1 8.221 . . 1 . . . . 33 S HN . 17667 1 275 . 1 1 33 33 SER HA H 1 3.87 . . 1 . . . . 33 S HA . 17667 1 276 . 1 1 33 33 SER HB2 H 1 3.79 . . 2 . . . . 33 S HB1 . 17667 1 277 . 1 1 33 33 SER HB3 H 1 3.79 . . 2 . . . . 33 S HB2 . 17667 1 278 . 1 1 33 33 SER C C 13 177.003 . . 1 . . . . 33 S C . 17667 1 279 . 1 1 33 33 SER CA C 13 61.721 . . 1 . . . . 33 S CA . 17667 1 280 . 1 1 33 33 SER CB C 13 62.5 . . 1 . . . . 33 S CB . 17667 1 281 . 1 1 33 33 SER N N 15 113.328 . . 1 . . . . 33 S N . 17667 1 282 . 1 1 34 34 GLU H H 1 7.815 . . 1 . . . . 34 E HN . 17667 1 283 . 1 1 34 34 GLU HA H 1 4.04 . . 1 . . . . 34 E HA . 17667 1 284 . 1 1 34 34 GLU HB2 H 1 1.98 . . 2 . . . . 34 E HB1 . 17667 1 285 . 1 1 34 34 GLU HB3 H 1 1.95 . . 2 . . . . 34 E HB2 . 17667 1 286 . 1 1 34 34 GLU HG2 H 1 2.4 . . 2 . . . . 34 E HG1 . 17667 1 287 . 1 1 34 34 GLU HG3 H 1 2.13 . . 2 . . . . 34 E HG2 . 17667 1 288 . 1 1 34 34 GLU C C 13 178.197 . . 1 . . . . 34 E C . 17667 1 289 . 1 1 34 34 GLU CA C 13 58.98 . . 1 . . . . 34 E CA . 17667 1 290 . 1 1 34 34 GLU CB C 13 29.782 . . 1 . . . . 34 E CB . 17667 1 291 . 1 1 34 34 GLU CG C 13 36.6 . . 1 . . . . 34 E CG . 17667 1 292 . 1 1 34 34 GLU N N 15 123.940 . . 1 . . . . 34 E N . 17667 1 293 . 1 1 35 35 CYS H H 1 7.423 . . 1 . . . . 35 C HN . 17667 1 294 . 1 1 35 35 CYS HA H 1 4.47 . . 1 . . . . 35 C HA . 17667 1 295 . 1 1 35 35 CYS HB2 H 1 2.66 . . 2 . . . . 35 C HB1 . 17667 1 296 . 1 1 35 35 CYS HB3 H 1 2.66 . . 2 . . . . 35 C HB2 . 17667 1 297 . 1 1 35 35 CYS C C 13 174.719 . . 1 . . . . 35 C C . 17667 1 298 . 1 1 35 35 CYS CA C 13 56.139 . . 1 . . . . 35 C CA . 17667 1 299 . 1 1 35 35 CYS CB C 13 35.519 . . 1 . . . . 35 C CB . 17667 1 300 . 1 1 35 35 CYS N N 15 118.374 . . 1 . . . . 35 C N . 17667 1 301 . 1 1 36 36 ARG H H 1 8.191 . . 1 . . . . 36 R HN . 17667 1 302 . 1 1 36 36 ARG HA H 1 2.45 . . 1 . . . . 36 R HA . 17667 1 303 . 1 1 36 36 ARG HB2 H 1 1.76 . . 2 . . . . 36 R HB1 . 17667 1 304 . 1 1 36 36 ARG HB3 H 1 1.43 . . 2 . . . . 36 R HB2 . 17667 1 305 . 1 1 36 36 ARG HG2 H 1 1.26 . . 2 . . . . 36 R HG1 . 17667 1 306 . 1 1 36 36 ARG HG3 H 1 1.26 . . 2 . . . . 36 R HG2 . 17667 1 307 . 1 1 36 36 ARG HD2 H 1 3.22 . . 2 . . . . 36 R HD1 . 17667 1 308 . 1 1 36 36 ARG HD3 H 1 3.22 . . 2 . . . . 36 R HD2 . 17667 1 309 . 1 1 36 36 ARG C C 13 178.435 . . 1 . . . . 36 R C . 17667 1 310 . 1 1 36 36 ARG CA C 13 59.370 . . 1 . . . . 36 R CA . 17667 1 311 . 1 1 36 36 ARG CB C 13 28.852 . . 1 . . . . 36 R CB . 17667 1 312 . 1 1 36 36 ARG CG C 13 26.9 . . 1 . . . . 36 R CG . 17667 1 313 . 1 1 36 36 ARG CD C 13 43.4 . . 1 . . . . 36 R CD . 17667 1 314 . 1 1 36 36 ARG N N 15 120.865 . . 1 . . . . 36 R N . 17667 1 315 . 1 1 37 37 ALA H H 1 7.75 . . 1 . . . . 37 A HN . 17667 1 316 . 1 1 37 37 ALA HA H 1 4.05 . . 1 . . . . 37 A HA . 17667 1 317 . 1 1 37 37 ALA HB1 H 1 1.46 . . 1 . . . . 37 A HB1 . 17667 1 318 . 1 1 37 37 ALA HB2 H 1 1.46 . . 1 . . . . 37 A HB1 . 17667 1 319 . 1 1 37 37 ALA HB3 H 1 1.46 . . 1 . . . . 37 A HB1 . 17667 1 320 . 1 1 37 37 ALA C C 13 180.405 . . 1 . . . . 37 A C . 17667 1 321 . 1 1 37 37 ALA CA C 13 55.192 . . 1 . . . . 37 A CA . 17667 1 322 . 1 1 37 37 ALA CB C 13 17.734 . . 1 . . . . 37 A CB . 17667 1 323 . 1 1 37 37 ALA N N 15 121.230 . . 1 . . . . 37 A N . 17667 1 324 . 1 1 38 38 ARG H H 1 7.771 . . 1 . . . . 38 R HN . 17667 1 325 . 1 1 38 38 ARG HA H 1 4.05 . . 1 . . . . 38 R HA . 17667 1 326 . 1 1 38 38 ARG HB2 H 1 2.14 . . 2 . . . . 38 R HB1 . 17667 1 327 . 1 1 38 38 ARG HB3 H 1 1.96 . . 2 . . . . 38 R HB2 . 17667 1 328 . 1 1 38 38 ARG HG2 H 1 1.72 . . 2 . . . . 38 R HG1 . 17667 1 329 . 1 1 38 38 ARG HG3 H 1 1.96 . . 2 . . . . 38 R HG2 . 17667 1 330 . 1 1 38 38 ARG HD2 H 1 3.14 . . 2 . . . . 38 R HD1 . 17667 1 331 . 1 1 38 38 ARG HD3 H 1 3.37 . . 2 . . . . 38 R HD2 . 17667 1 332 . 1 1 38 38 ARG C C 13 179.092 . . 1 . . . . 38 R C . 17667 1 333 . 1 1 38 38 ARG CA C 13 59.519 . . 1 . . . . 38 R CA . 17667 1 334 . 1 1 38 38 ARG CB C 13 29.747 . . 1 . . . . 38 R CB . 17667 1 335 . 1 1 38 38 ARG CG C 13 26.9 . . 1 . . . . 38 R CG . 17667 1 336 . 1 1 38 38 ARG CD C 13 43.9 . . 1 . . . . 38 R CD . 17667 1 337 . 1 1 38 38 ARG N N 15 120.562 . . 1 . . . . 38 R N . 17667 1 338 . 1 1 39 39 CYS H H 1 7.712 . . 1 . . . . 39 C HN . 17667 1 339 . 1 1 39 39 CYS HA H 1 4.39 . . 1 . . . . 39 C HA . 17667 1 340 . 1 1 39 39 CYS HB2 H 1 2.79 . . 2 . . . . 39 C HB1 . 17667 1 341 . 1 1 39 39 CYS HB3 H 1 3.22 . . 2 . . . . 39 C HB2 . 17667 1 342 . 1 1 39 39 CYS C C 13 175.884 . . 1 . . . . 39 C C . 17667 1 343 . 1 1 39 39 CYS CA C 13 58.326 . . 1 . . . . 39 C CA . 17667 1 344 . 1 1 39 39 CYS CB C 13 41.462 . . 1 . . . . 39 C CB . 17667 1 345 . 1 1 39 39 CYS N N 15 115.961 . . 1 . . . . 39 C N . 17667 1 346 . 1 1 40 40 GLN H H 1 8.398 . . 1 . . . . 40 Q HN . 17667 1 347 . 1 1 40 40 GLN HA H 1 3.813 . . 1 . . . . 40 Q HA . 17667 1 348 . 1 1 40 40 GLN HB2 H 1 2.10 . . 2 . . . . 40 Q HB1 . 17667 1 349 . 1 1 40 40 GLN HB3 H 1 2.10 . . 2 . . . . 40 Q HB2 . 17667 1 350 . 1 1 40 40 GLN HG2 H 1 2.31 . . 2 . . . . 40 Q HG1 . 17667 1 351 . 1 1 40 40 GLN HG3 H 1 2.51 . . 2 . . . . 40 Q HG2 . 17667 1 352 . 1 1 40 40 GLN C C 13 176.958 . . 1 . . . . 40 Q C . 17667 1 353 . 1 1 40 40 GLN CA C 13 58.251 . . 1 . . . . 40 Q CA . 17667 1 354 . 1 1 40 40 GLN CB C 13 27.73 . . 1 . . . . 40 Q CB . 17667 1 355 . 1 1 40 40 GLN CG C 13 34.3 . . 1 . . . . 40 Q CG . 17667 1 356 . 1 1 40 40 GLN N N 15 116.460 . . 1 . . . . 40 Q N . 17667 1 357 . 1 1 41 41 ALA H H 1 7.333 . . 1 . . . . 41 A HN . 17667 1 358 . 1 1 41 41 ALA HA H 1 4.24 . . 1 . . . . 41 A HA . 17667 1 359 . 1 1 41 41 ALA HB1 H 1 1.52 . . 1 . . . . 41 A HB1 . 17667 1 360 . 1 1 41 41 ALA HB2 H 1 1.52 . . 1 . . . . 41 A HB1 . 17667 1 361 . 1 1 41 41 ALA HB3 H 1 1.52 . . 1 . . . . 41 A HB1 . 17667 1 362 . 1 1 41 41 ALA C C 13 177.033 . . 1 . . . . 41 A C . 17667 1 363 . 1 1 41 41 ALA CA C 13 53.102 . . 1 . . . . 41 A CA . 17667 1 364 . 1 1 41 41 ALA CB C 13 19.002 . . 1 . . . . 41 A CB . 17667 1 365 . 1 1 41 41 ALA N N 15 118.732 . . 1 . . . . 41 A N . 17667 1 366 . 1 1 42 42 GLU H H 1 7.736 . . 1 . . . . 42 E HN . 17667 1 367 . 1 1 42 42 GLU HA H 1 4.66 . . 1 . . . . 42 E HA . 17667 1 368 . 1 1 42 42 GLU HB2 H 1 2.11 . . 2 . . . . 42 E HB1 . 17667 1 369 . 1 1 42 42 GLU HB3 H 1 2.11 . . 2 . . . . 42 E HB2 . 17667 1 370 . 1 1 42 42 GLU HG2 H 1 2.40 . . 2 . . . . 42 E HG1 . 17667 1 371 . 1 1 42 42 GLU HG3 H 1 2.07 . . 2 . . . . 42 E HG2 . 17667 1 372 . 1 1 42 42 GLU C C 13 176.496 . . 1 . . . . 42 E C . 17667 1 373 . 1 1 42 42 GLU CA C 13 54.296 . . 1 . . . . 42 E CA . 17667 1 374 . 1 1 42 42 GLU CB C 13 30.792 . . 1 . . . . 42 E CB . 17667 1 375 . 1 1 42 42 GLU CG C 13 35.0 . . 1 . . . . 42 E CG . 17667 1 376 . 1 1 42 42 GLU N N 15 120.472 . . 1 . . . . 42 E N . 17667 1 377 . 1 1 43 43 LYS H H 1 8.890 . . 1 . . . . 43 K HN . 17667 1 378 . 1 1 43 43 LYS HA H 1 4.04 . . 1 . . . . 43 K HA . 17667 1 379 . 1 1 43 43 LYS HB2 H 1 1.86 . . 2 . . . . 43 K HB1 . 17667 1 380 . 1 1 43 43 LYS HB3 H 1 1.96 . . 2 . . . . 43 K HB2 . 17667 1 381 . 1 1 43 43 LYS HG2 H 1 1.52 . . 2 . . . . 43 K HG1 . 17667 1 382 . 1 1 43 43 LYS HG3 H 1 1.54 . . 2 . . . . 43 K HG2 . 17667 1 383 . 1 1 43 43 LYS HD2 H 1 1.74 . . 2 . . . . 43 K HD1 . 17667 1 384 . 1 1 43 43 LYS HD3 H 1 1.74 . . 2 . . . . 43 K HD2 . 17667 1 385 . 1 1 43 43 LYS HE2 H 1 3.05 . . 2 . . . . 43 K HE1 . 17667 1 386 . 1 1 43 43 LYS HE3 H 1 3.05 . . 2 . . . . 43 K HE2 . 17667 1 387 . 1 1 43 43 LYS C C 13 178.003 . . 1 . . . . 43 K C . 17667 1 388 . 1 1 43 43 LYS CA C 13 59.743 . . 1 . . . . 43 K CA . 17667 1 389 . 1 1 43 43 LYS CB C 13 32.657 . . 1 . . . . 43 K CB . 17667 1 390 . 1 1 43 43 LYS CG C 13 24.6 . . 1 . . . . 43 K CG . 17667 1 391 . 1 1 43 43 LYS CD C 13 29.0 . . 1 . . . . 43 K CD . 17667 1 392 . 1 1 43 43 LYS CE C 13 41.8 . . 1 . . . . 43 K CE . 17667 1 393 . 1 1 43 43 LYS N N 15 128.833 . . 1 . . . . 43 K N . 17667 1 394 . 1 1 44 44 GLU H H 1 8.917 . . 1 . . . . 44 E HN . 17667 1 395 . 1 1 44 44 GLU HA H 1 4.36 . . 1 . . . . 44 E HA . 17667 1 396 . 1 1 44 44 GLU HB2 H 1 2.31 . . 2 . . . . 44 E HB1 . 17667 1 397 . 1 1 44 44 GLU HB3 H 1 1.87 . . 2 . . . . 44 E HB2 . 17667 1 398 . 1 1 44 44 GLU HG2 H 1 2.26 . . 2 . . . . 44 E HG1 . 17667 1 399 . 1 1 44 44 GLU HG3 H 1 2.26 . . 2 . . . . 44 E HG2 . 17667 1 400 . 1 1 44 44 GLU C C 13 176.078 . . 1 . . . . 44 E C . 17667 1 401 . 1 1 44 44 GLU CA C 13 56.162 . . 1 . . . . 44 E CA . 17667 1 402 . 1 1 44 44 GLU CB C 13 30.046 . . 1 . . . . 44 E CB . 17667 1 403 . 1 1 44 44 GLU CG C 13 37.2 . . 1 . . . . 44 E CG . 17667 1 404 . 1 1 44 44 GLU N N 15 113.761 . . 1 . . . . 44 E N . 17667 1 405 . 1 1 45 45 CYS H H 1 7.642 . . 1 . . . . 45 C HN . 17667 1 406 . 1 1 45 45 CYS HA H 1 4.71 . . 1 . . . . 45 C HA . 17667 1 407 . 1 1 45 45 CYS HB2 H 1 4.01 . . 2 . . . . 45 C HB1 . 17667 1 408 . 1 1 45 45 CYS HB3 H 1 3.23 . . 2 . . . . 45 C HB2 . 17667 1 409 . 1 1 45 45 CYS C C 13 174.228 . . 1 . . . . 45 C C . 17667 1 410 . 1 1 45 45 CYS CA C 13 56.386 . . 1 . . . . 45 C CA . 17667 1 411 . 1 1 45 45 CYS CB C 13 44.596 . . 1 . . . . 45 C CB . 17667 1 412 . 1 1 45 45 CYS N N 15 118.165 . . 1 . . . . 45 C N . 17667 1 413 . 1 1 46 46 SER H H 1 9.717 . . 1 . . . . 46 S HN . 17667 1 414 . 1 1 46 46 SER HA H 1 4.86 . . 1 . . . . 46 S HA . 17667 1 415 . 1 1 46 46 SER HB2 H 1 4.33 . . 2 . . . . 46 S HB1 . 17667 1 416 . 1 1 46 46 SER HB3 H 1 4.13 . . 2 . . . . 46 S HB2 . 17667 1 417 . 1 1 46 46 SER C C 13 176.152 . . 1 . . . . 46 S C . 17667 1 418 . 1 1 46 46 SER CA C 13 58.027 . . 1 . . . . 46 S CA . 17667 1 419 . 1 1 46 46 SER CB C 13 65.713 . . 1 . . . . 46 S CB . 17667 1 420 . 1 1 46 46 SER N N 15 125.842 . . 1 . . . . 46 S N . 17667 1 421 . 1 1 47 47 HIS H H 1 8.725 . . 1 . . . . 47 H HN . 17667 1 422 . 1 1 47 47 HIS HA H 1 5.06 . . 1 . . . . 47 H HA . 17667 1 423 . 1 1 47 47 HIS HB2 H 1 3.55 . . 2 . . . . 47 H HB1 . 17667 1 424 . 1 1 47 47 HIS HB3 H 1 3.25 . . 2 . . . . 47 H HB2 . 17667 1 425 . 1 1 47 47 HIS HD1 H 1 11.65 . . 1 . . . . 47 H HD1 . 17667 1 426 . 1 1 47 47 HIS HD2 H 1 6.34 . . 1 . . . . 47 H HD2 . 17667 1 427 . 1 1 47 47 HIS HE1 H 1 6.74 . . 1 . . . . 47 H HE1 . 17667 1 428 . 1 1 47 47 HIS HE2 H 1 11.65 . . 1 . . . . 47 H HE2 . 17667 1 429 . 1 1 47 47 HIS C C 13 182.539 . . 1 . . . . 47 H C . 17667 1 430 . 1 1 47 47 HIS CA C 13 55.789 . . 1 . . . . 47 H CA . 17667 1 431 . 1 1 47 47 HIS CB C 13 28.56 . . 1 . . . . 47 H CB . 17667 1 432 . 1 1 47 47 HIS CD2 C 13 126.3 . . 1 . . . . 47 H CD2 . 17667 1 433 . 1 1 47 47 HIS CE1 C 13 138.6 . . 1 . . . . 47 H CE1 . 17667 1 434 . 1 1 47 47 HIS N N 15 121.863 . . 1 . . . . 47 H N . 17667 1 435 . 1 1 47 47 HIS ND1 N 15 169.3 . . 1 . . . . 47 H ND1 . 17667 1 436 . 1 1 47 47 HIS NE2 N 15 169.3 . . 1 . . . . 47 H NE2 . 17667 1 437 . 1 1 48 48 TYR H H 1 8.680 . . 1 . . . . 48 Y HN . 17667 1 438 . 1 1 48 48 TYR HA H 1 5.52 . . 1 . . . . 48 Y HA . 17667 1 439 . 1 1 48 48 TYR HB2 H 1 2.72 . . 2 . . . . 48 Y HB1 . 17667 1 440 . 1 1 48 48 TYR HB3 H 1 2.79 . . 2 . . . . 48 Y HB2 . 17667 1 441 . 1 1 48 48 TYR HD1 H 1 6.77 . . 3 . . . . 48 Y HD1 . 17667 1 442 . 1 1 48 48 TYR HD2 H 1 6.77 . . 3 . . . . 48 Y HD2 . 17667 1 443 . 1 1 48 48 TYR HE1 H 1 6.58 . . 3 . . . . 48 Y HE1 . 17667 1 444 . 1 1 48 48 TYR HE2 H 1 6.58 . . 3 . . . . 48 Y HE2 . 17667 1 445 . 1 1 48 48 TYR C C 13 172.482 . . 1 . . . . 48 Y C . 17667 1 446 . 1 1 48 48 TYR CA C 13 54.520 . . 1 . . . . 48 Y CA . 17667 1 447 . 1 1 48 48 TYR CB C 13 40.865 . . 1 . . . . 48 Y CB . 17667 1 448 . 1 1 48 48 TYR CD1 C 13 132.7 . . 3 . . . . 48 Y CD1 . 17667 1 449 . 1 1 48 48 TYR CD2 C 13 132.7 . . 3 . . . . 48 Y CD2 . 17667 1 450 . 1 1 48 48 TYR CE1 C 13 116.9 . . 3 . . . . 48 Y CE1 . 17667 1 451 . 1 1 48 48 TYR CE2 C 13 47.3 . . 3 . . . . 48 Y CE2 . 17667 1 452 . 1 1 48 48 TYR N N 15 114.233 . . 1 . . . . 48 Y N . 17667 1 453 . 1 1 49 49 THR H H 1 8.466 . . 1 . . . . 49 T HN . 17667 1 454 . 1 1 49 49 THR HA H 1 5.54 . . 1 . . . . 49 T HA . 17667 1 455 . 1 1 49 49 THR HB H 1 3.66 . . 1 . . . . 49 T HB . 17667 1 456 . 1 1 49 49 THR HG21 H 1 1.25 . . 1 . . . . 49 T HG21 . 17667 1 457 . 1 1 49 49 THR HG22 H 1 1.25 . . 1 . . . . 49 T HG21 . 17667 1 458 . 1 1 49 49 THR HG23 H 1 1.25 . . 1 . . . . 49 T HG21 . 17667 1 459 . 1 1 49 49 THR C C 13 172.497 . . 1 . . . . 49 T C . 17667 1 460 . 1 1 49 49 THR CA C 13 61.833 . . 1 . . . . 49 T CA . 17667 1 461 . 1 1 49 49 THR CB C 13 72.204 . . 1 . . . . 49 T CB . 17667 1 462 . 1 1 49 49 THR CG2 C 13 23.2 . . 1 . . . . 49 T CG2 . 17667 1 463 . 1 1 49 49 THR N N 15 117.868 . . 1 . . . . 49 T N . 17667 1 464 . 1 1 50 50 TYR H H 1 9.865 . . 1 . . . . 50 Y HN . 17667 1 465 . 1 1 50 50 TYR HA H 1 5.79 . . 1 . . . . 50 Y HA . 17667 1 466 . 1 1 50 50 TYR HB2 H 1 3.13 . . 2 . . . . 50 Y HB1 . 17667 1 467 . 1 1 50 50 TYR HB3 H 1 2.91 . . 2 . . . . 50 Y HB2 . 17667 1 468 . 1 1 50 50 TYR HD1 H 1 6.91 . . 3 . . . . 50 Y HD1 . 17667 1 469 . 1 1 50 50 TYR HD2 H 1 6.91 . . 3 . . . . 50 Y HD2 . 17667 1 470 . 1 1 50 50 TYR HE1 H 1 6.79 . . 3 . . . . 50 Y HE1 . 17667 1 471 . 1 1 50 50 TYR HE2 H 1 6.79 . . 3 . . . . 50 Y HE2 . 17667 1 472 . 1 1 50 50 TYR C C 13 173.123 . . 1 . . . . 50 Y C . 17667 1 473 . 1 1 50 50 TYR CA C 13 55.192 . . 1 . . . . 50 Y CA . 17667 1 474 . 1 1 50 50 TYR CB C 13 43.626 . . 1 . . . . 50 Y CB . 17667 1 475 . 1 1 50 50 TYR CD1 C 13 131.1 . . 3 . . . . 50 Y CD1 . 17667 1 476 . 1 1 50 50 TYR CD2 C 13 131.1 . . 3 . . . . 50 Y CD2 . 17667 1 477 . 1 1 50 50 TYR CE1 C 13 117.2 . . 3 . . . . 50 Y CE1 . 17667 1 478 . 1 1 50 50 TYR CE2 C 13 117.2 . . 3 . . . . 50 Y CE2 . 17667 1 479 . 1 1 50 50 TYR N N 15 129.736 . . 1 . . . . 50 Y N . 17667 1 480 . 1 1 51 51 ASN H H 1 8.111 . . 1 . . . . 51 N HN . 17667 1 481 . 1 1 51 51 ASN HA H 1 5.62 . . 1 . . . . 51 N HA . 17667 1 482 . 1 1 51 51 ASN HB2 H 1 3.05 . . 2 . . . . 51 N HB1 . 17667 1 483 . 1 1 51 51 ASN HB3 H 1 2.83 . . 2 . . . . 51 N HB2 . 17667 1 484 . 1 1 51 51 ASN HD21 H 1 9.60 . . 2 . . . . 51 N HD21 . 17667 1 485 . 1 1 51 51 ASN HD22 H 1 7.15 . . 2 . . . . 51 N HD22 . 17667 1 486 . 1 1 51 51 ASN C C 13 175.272 . . 1 . . . . 51 N C . 17667 1 487 . 1 1 51 51 ASN CA C 13 52.505 . . 1 . . . . 51 N CA . 17667 1 488 . 1 1 51 51 ASN CB C 13 41.089 . . 1 . . . . 51 N CB . 17667 1 489 . 1 1 51 51 ASN N N 15 126.737 . . 1 . . . . 51 N N . 17667 1 490 . 1 1 51 51 ASN ND2 N 15 118.3 . . 1 . . . . 51 N ND2 . 17667 1 491 . 1 1 52 52 VAL H H 1 8.489 . . 1 . . . . 52 V HN . 17667 1 492 . 1 1 52 52 VAL HA H 1 3.69 . . 1 . . . . 52 V HA . 17667 1 493 . 1 1 52 52 VAL HB H 1 2.33 . . 1 . . . . 52 V HB . 17667 1 494 . 1 1 52 52 VAL HG11 H 1 1.16 . . 2 . . . . 52 V HG11 . 17667 1 495 . 1 1 52 52 VAL HG12 H 1 1.16 . . 2 . . . . 52 V HG11 . 17667 1 496 . 1 1 52 52 VAL HG13 H 1 1.16 . . 2 . . . . 52 V HG11 . 17667 1 497 . 1 1 52 52 VAL HG21 H 1 1.19 . . 2 . . . . 52 V HG21 . 17667 1 498 . 1 1 52 52 VAL HG22 H 1 1.19 . . 2 . . . . 52 V HG21 . 17667 1 499 . 1 1 52 52 VAL HG23 H 1 1.19 . . 2 . . . . 52 V HG21 . 17667 1 500 . 1 1 52 52 VAL C C 13 176.943 . . 1 . . . . 52 V C . 17667 1 501 . 1 1 52 52 VAL CA C 13 63.698 . . 1 . . . . 52 V CA . 17667 1 502 . 1 1 52 52 VAL CB C 13 31.836 . . 1 . . . . 52 V CB . 17667 1 503 . 1 1 52 52 VAL CG1 C 13 20.2 . . 2 . . . . 52 V CG1 . 17667 1 504 . 1 1 52 52 VAL CG2 C 13 21.5 . . 2 . . . . 52 V CG2 . 17667 1 505 . 1 1 52 52 VAL N N 15 120.584 . . 1 . . . . 52 V N . 17667 1 506 . 1 1 53 53 LYS H H 1 7.844 . . 1 . . . . 53 K HN . 17667 1 507 . 1 1 53 53 LYS HA H 1 4.37 . . 1 . . . . 53 K HA . 17667 1 508 . 1 1 53 53 LYS HB2 H 1 1.95 . . 2 . . . . 53 K HB1 . 17667 1 509 . 1 1 53 53 LYS HB3 H 1 2.06 . . 2 . . . . 53 K HB2 . 17667 1 510 . 1 1 53 53 LYS HG2 H 1 1.42 . . 2 . . . . 53 K HG1 . 17667 1 511 . 1 1 53 53 LYS HG3 H 1 1.47 . . 2 . . . . 53 K HG2 . 17667 1 512 . 1 1 53 53 LYS HD2 H 1 1.68 . . 2 . . . . 53 K HD1 . 17667 1 513 . 1 1 53 53 LYS HD3 H 1 1.68 . . 2 . . . . 53 K HD2 . 17667 1 514 . 1 1 53 53 LYS HE2 H 1 3.0 . . 2 . . . . 53 K HE1 . 17667 1 515 . 1 1 53 53 LYS HE3 H 1 3.0 . . 2 . . . . 53 K HE2 . 17667 1 516 . 1 1 53 53 LYS C C 13 177.883 . . 1 . . . . 53 K C . 17667 1 517 . 1 1 53 53 LYS CA C 13 57.654 . . 1 . . . . 53 K CA . 17667 1 518 . 1 1 53 53 LYS CB C 13 32.583 . . 1 . . . . 53 K CB . 17667 1 519 . 1 1 53 53 LYS CG C 13 24.7 . . 1 . . . . 53 K CG . 17667 1 520 . 1 1 53 53 LYS CD C 13 28.5 . . 1 . . . . 53 K CD . 17667 1 521 . 1 1 53 53 LYS CE C 13 41.7 . . 1 . . . . 53 K CE . 17667 1 522 . 1 1 53 53 LYS N N 15 119.982 . . 1 . . . . 53 K N . 17667 1 523 . 1 1 54 54 SER H H 1 8.843 . . 1 . . . . 54 S HN . 17667 1 524 . 1 1 54 54 SER HA H 1 4.42 . . 1 . . . . 54 S HA . 17667 1 525 . 1 1 54 54 SER HB2 H 1 3.98 . . 2 . . . . 54 S HB1 . 17667 1 526 . 1 1 54 54 SER HB3 H 1 3.87 . . 2 . . . . 54 S HB2 . 17667 1 527 . 1 1 54 54 SER C C 13 176.108 . . 1 . . . . 54 S C . 17667 1 528 . 1 1 54 54 SER CA C 13 58.326 . . 1 . . . . 54 S CA . 17667 1 529 . 1 1 54 54 SER CB C 13 64.444 . . 1 . . . . 54 S CB . 17667 1 530 . 1 1 54 54 SER N N 15 114.167 . . 1 . . . . 54 S N . 17667 1 531 . 1 1 55 55 GLY H H 1 8.207 . . 1 . . . . 55 G HN . 17667 1 532 . 1 1 55 55 GLY HA2 H 1 4.19 . . 2 . . . . 55 G HA1 . 17667 1 533 . 1 1 55 55 GLY HA3 H 1 3.74 . . 2 . . . . 55 G HA2 . 17667 1 534 . 1 1 55 55 GLY C C 13 173.108 . . 1 . . . . 55 G C . 17667 1 535 . 1 1 55 55 GLY CA C 13 46.014 . . 1 . . . . 55 G CA . 17667 1 536 . 1 1 55 55 GLY N N 15 112.983 . . 1 . . . . 55 G N . 17667 1 537 . 1 1 56 56 LEU H H 1 7.645 . . 1 . . . . 56 L HN . 17667 1 538 . 1 1 56 56 LEU HA H 1 4.03 . . 1 . . . . 56 L HA . 17667 1 539 . 1 1 56 56 LEU HB2 H 1 1.68 . . 2 . . . . 56 L HB1 . 17667 1 540 . 1 1 56 56 LEU HB3 H 1 0.68 . . 2 . . . . 56 L HB2 . 17667 1 541 . 1 1 56 56 LEU HG H 1 1.46 . . 1 . . . . 56 L HG . 17667 1 542 . 1 1 56 56 LEU HD11 H 1 0.86 . . 2 . . . . 56 L HD11 . 17667 1 543 . 1 1 56 56 LEU HD12 H 1 0.86 . . 2 . . . . 56 L HD11 . 17667 1 544 . 1 1 56 56 LEU HD13 H 1 0.86 . . 2 . . . . 56 L HD11 . 17667 1 545 . 1 1 56 56 LEU HD21 H 1 0.58 . . 2 . . . . 56 L HD21 . 17667 1 546 . 1 1 56 56 LEU HD22 H 1 0.58 . . 2 . . . . 56 L HD21 . 17667 1 547 . 1 1 56 56 LEU HD23 H 1 0.58 . . 2 . . . . 56 L HD21 . 17667 1 548 . 1 1 56 56 LEU C C 13 174.168 . . 1 . . . . 56 L C . 17667 1 549 . 1 1 56 56 LEU CA C 13 56.012 . . 1 . . . . 56 L CA . 17667 1 550 . 1 1 56 56 LEU CB C 13 42.357 . . 1 . . . . 56 L CB . 17667 1 551 . 1 1 56 56 LEU CG C 13 26.4 . . 1 . . . . 56 L CG . 17667 1 552 . 1 1 56 56 LEU CD1 C 13 24.9 . . 2 . . . . 56 L CD1 . 17667 1 553 . 1 1 56 56 LEU CD2 C 13 22.4 . . 2 . . . . 56 L CD2 . 17667 1 554 . 1 1 56 56 LEU N N 15 118.971 . . 1 . . . . 56 L N . 17667 1 555 . 1 1 57 57 CYS H H 1 7.222 . . 1 . . . . 57 C HN . 17667 1 556 . 1 1 57 57 CYS HA H 1 5.638 . . 1 . . . . 57 C HA . 17667 1 557 . 1 1 57 57 CYS HB2 H 1 3.06 . . 2 . . . . 57 C HB1 . 17667 1 558 . 1 1 57 57 CYS HB3 H 1 2.90 . . 2 . . . . 57 C HB2 . 17667 1 559 . 1 1 57 57 CYS C C 13 172.497 . . 1 . . . . 57 C C . 17667 1 560 . 1 1 57 57 CYS CA C 13 53.923 . . 1 . . . . 57 C CA . 17667 1 561 . 1 1 57 57 CYS CB C 13 40.194 . . 1 . . . . 57 C CB . 17667 1 562 . 1 1 57 57 CYS N N 15 117.419 . . 1 . . . . 57 C N . 17667 1 563 . 1 1 58 58 TYR H H 1 10.107 . . 1 . . . . 58 Y HN . 17667 1 564 . 1 1 58 58 TYR HA H 1 5.01 . . 1 . . . . 58 Y HA . 17667 1 565 . 1 1 58 58 TYR HB2 H 1 3.46 . . 2 . . . . 58 Y HB1 . 17667 1 566 . 1 1 58 58 TYR HB3 H 1 2.78 . . 2 . . . . 58 Y HB2 . 17667 1 567 . 1 1 58 58 TYR HD1 H 1 7.23 . . 3 . . . . 58 Y HD1 . 17667 1 568 . 1 1 58 58 TYR HD2 H 1 7.23 . . 3 . . . . 58 Y HD2 . 17667 1 569 . 1 1 58 58 TYR HE1 H 1 6.69 . . 3 . . . . 58 Y HE1 . 17667 1 570 . 1 1 58 58 TYR HE2 H 1 6.69 . . 3 . . . . 58 Y HE2 . 17667 1 571 . 1 1 58 58 TYR C C 13 172.467 . . 1 . . . . 58 Y C . 17667 1 572 . 1 1 58 58 TYR CA C 13 53.9 . . 1 . . . . 58 Y CA . 17667 1 573 . 1 1 58 58 TYR CB C 13 39.224 . . 1 . . . . 58 Y CB . 17667 1 574 . 1 1 58 58 TYR CD1 C 13 133.4 . . 3 . . . . 58 Y CD1 . 17667 1 575 . 1 1 58 58 TYR CD2 C 13 133.4 . . 3 . . . . 58 Y CD2 . 17667 1 576 . 1 1 58 58 TYR CE1 C 13 117.6 . . 3 . . . . 58 Y CE1 . 17667 1 577 . 1 1 58 58 TYR CE2 C 13 117.6 . . 3 . . . . 58 Y CE2 . 17667 1 578 . 1 1 58 58 TYR N N 15 128.589 . . 1 . . . . 58 Y N . 17667 1 579 . 1 1 59 59 PRO HA H 1 4.64 . . 1 . . . . 59 P HA . 17667 1 580 . 1 1 59 59 PRO HB2 H 1 2.37 . . 2 . . . . 59 P HB1 . 17667 1 581 . 1 1 59 59 PRO HB3 H 1 2.15 . . 2 . . . . 59 P HB2 . 17667 1 582 . 1 1 59 59 PRO HG2 H 1 2.44 . . 2 . . . . 59 P HG1 . 17667 1 583 . 1 1 59 59 PRO HG3 H 1 1.66 . . 2 . . . . 59 P HG2 . 17667 1 584 . 1 1 59 59 PRO HD2 H 1 3.82 . . 2 . . . . 59 P HD1 . 17667 1 585 . 1 1 59 59 PRO HD3 H 1 4.05 . . 2 . . . . 59 P HD2 . 17667 1 586 . 1 1 59 59 PRO C C 13 175.973 . . 1 . . . . 59 P C . 17667 1 587 . 1 1 59 59 PRO CA C 13 63.5 . . 1 . . . . 59 P CA . 17667 1 588 . 1 1 59 59 PRO CB C 13 32.284 . . 1 . . . . 59 P CB . 17667 1 589 . 1 1 59 59 PRO CG C 13 27.7 . . 1 . . . . 59 P CG . 17667 1 590 . 1 1 59 59 PRO CD C 13 51.4 . . 1 . . . . 59 P CD . 17667 1 591 . 1 1 60 60 LYS H H 1 9.077 . . 1 . . . . 60 K HN . 17667 1 592 . 1 1 60 60 LYS HA H 1 5.20 . . 1 . . . . 60 K HA . 17667 1 593 . 1 1 60 60 LYS HB2 H 1 0.03 . . 2 . . . . 60 K HB1 . 17667 1 594 . 1 1 60 60 LYS HB3 H 1 1.03 . . 2 . . . . 60 K HB2 . 17667 1 595 . 1 1 60 60 LYS HG2 H 1 1.05 . . 2 . . . . 60 K HG1 . 17667 1 596 . 1 1 60 60 LYS HG3 H 1 1.18 . . 2 . . . . 60 K HG2 . 17667 1 597 . 1 1 60 60 LYS HD2 H 1 1.1 . . 2 . . . . 60 K HD1 . 17667 1 598 . 1 1 60 60 LYS HD3 H 1 1.23 . . 2 . . . . 60 K HD2 . 17667 1 599 . 1 1 60 60 LYS HE2 H 1 2.81 . . 2 . . . . 60 K HE1 . 17667 1 600 . 1 1 60 60 LYS HE3 H 1 3.35 . . 2 . . . . 60 K HE2 . 17667 1 601 . 1 1 60 60 LYS C C 13 174.407 . . 1 . . . . 60 K C . 17667 1 602 . 1 1 60 60 LYS CA C 13 55.042 . . 1 . . . . 60 K CA . 17667 1 603 . 1 1 60 60 LYS CB C 13 35.940 . . 1 . . . . 60 K CB . 17667 1 604 . 1 1 60 60 LYS CG C 13 24.7 . . 1 . . . . 60 K CG . 17667 1 605 . 1 1 60 60 LYS CD C 13 29.7 . . 1 . . . . 60 K CD . 17667 1 606 . 1 1 60 60 LYS CE C 13 43.5 . . 1 . . . . 60 K CE . 17667 1 607 . 1 1 60 60 LYS N N 15 124.051 . . 1 . . . . 60 K N . 17667 1 608 . 1 1 61 61 ARG H H 1 8.039 . . 1 . . . . 61 R HN . 17667 1 609 . 1 1 61 61 ARG HA H 1 5.28 . . 1 . . . . 61 R HA . 17667 1 610 . 1 1 61 61 ARG HB2 H 1 1.92 . . 2 . . . . 61 R HB1 . 17667 1 611 . 1 1 61 61 ARG HB3 H 1 1.64 . . 2 . . . . 61 R HB2 . 17667 1 612 . 1 1 61 61 ARG HG2 H 1 1.52 . . 2 . . . . 61 R HG1 . 17667 1 613 . 1 1 61 61 ARG HG3 H 1 1.56 . . 2 . . . . 61 R HG2 . 17667 1 614 . 1 1 61 61 ARG HD2 H 1 3.16 . . 2 . . . . 61 R HD1 . 17667 1 615 . 1 1 61 61 ARG HD3 H 1 3.19 . . 2 . . . . 61 R HD2 . 17667 1 616 . 1 1 61 61 ARG C C 13 176.600 . . 1 . . . . 61 R C . 17667 1 617 . 1 1 61 61 ARG CA C 13 53.102 . . 1 . . . . 61 R CA . 17667 1 618 . 1 1 61 61 ARG CB C 13 34.448 . . 1 . . . . 61 R CB . 17667 1 619 . 1 1 61 61 ARG CG C 13 26.2 . . 1 . . . . 61 R CG . 17667 1 620 . 1 1 61 61 ARG CD C 13 43.5 . . 1 . . . . 61 R CD . 17667 1 621 . 1 1 61 61 ARG N N 15 116.032 . . 1 . . . . 61 R N . 17667 1 622 . 1 1 62 62 GLY H H 1 8.831 . . 1 . . . . 62 G HN . 17667 1 623 . 1 1 62 62 GLY HA2 H 1 4.14 . . 2 . . . . 62 G HA1 . 17667 1 624 . 1 1 62 62 GLY HA3 H 1 3.87 . . 2 . . . . 62 G HA2 . 17667 1 625 . 1 1 62 62 GLY C C 13 174.660 . . 1 . . . . 62 G C . 17667 1 626 . 1 1 62 62 GLY CA C 13 44.521 . . 1 . . . . 62 G CA . 17667 1 627 . 1 1 62 62 GLY N N 15 106.234 . . 1 . . . . 62 G N . 17667 1 628 . 1 1 63 63 LYS H H 1 8.341 . . 1 . . . . 63 K HN . 17667 1 629 . 1 1 63 63 LYS HA H 1 4.37 . . 1 . . . . 63 K HA . 17667 1 630 . 1 1 63 63 LYS HB2 H 1 1.65 . . 2 . . . . 63 K HB1 . 17667 1 631 . 1 1 63 63 LYS HB3 H 1 1.65 . . 2 . . . . 63 K HB2 . 17667 1 632 . 1 1 63 63 LYS HG2 H 1 1.46 . . 2 . . . . 63 K HG1 . 17667 1 633 . 1 1 63 63 LYS HG3 H 1 1.46 . . 2 . . . . 63 K HG2 . 17667 1 634 . 1 1 63 63 LYS HD2 H 1 1.68 . . 2 . . . . 63 K HD1 . 17667 1 635 . 1 1 63 63 LYS HD3 H 1 1.68 . . 2 . . . . 63 K HD2 . 17667 1 636 . 1 1 63 63 LYS HE2 H 1 2.98 . . 2 . . . . 63 K HE1 . 17667 1 637 . 1 1 63 63 LYS HE3 H 1 2.98 . . 2 . . . . 63 K HE2 . 17667 1 638 . 1 1 63 63 LYS CA C 13 54.371 . . 1 . . . . 63 K CA . 17667 1 639 . 1 1 63 63 LYS CB C 13 32.657 . . 1 . . . . 63 K CB . 17667 1 640 . 1 1 63 63 LYS CG C 13 24.5 . . 1 . . . . 63 K CG . 17667 1 641 . 1 1 63 63 LYS CD C 13 28.9 . . 1 . . . . 63 K CD . 17667 1 642 . 1 1 63 63 LYS CE C 13 41.8 . . 1 . . . . 63 K CE . 17667 1 643 . 1 1 63 63 LYS N N 15 121.546 . . 1 . . . . 63 K N . 17667 1 644 . 1 1 64 64 PRO HA H 1 3.58 . . 1 . . . . 64 P HA . 17667 1 645 . 1 1 64 64 PRO HB2 H 1 0.36 . . 2 . . . . 64 P HB1 . 17667 1 646 . 1 1 64 64 PRO HB3 H 1 0.56 . . 2 . . . . 64 P HB2 . 17667 1 647 . 1 1 64 64 PRO HG2 H 1 1.54 . . 2 . . . . 64 P HG1 . 17667 1 648 . 1 1 64 64 PRO HG3 H 1 0.42 . . 2 . . . . 64 P HG2 . 17667 1 649 . 1 1 64 64 PRO HD2 H 1 3.26 . . 2 . . . . 64 P HD1 . 17667 1 650 . 1 1 64 64 PRO HD3 H 1 3.49 . . 2 . . . . 64 P HD2 . 17667 1 651 . 1 1 64 64 PRO C C 13 175.929 . . 1 . . . . 64 P C . 17667 1 652 . 1 1 64 64 PRO CA C 13 62.952 . . 1 . . . . 64 P CA . 17667 1 653 . 1 1 64 64 PRO CB C 13 31.463 . . 1 . . . . 64 P CB . 17667 1 654 . 1 1 64 64 PRO CG C 13 26.37 . . 1 . . . . 64 P CG . 17667 1 655 . 1 1 64 64 PRO CD C 13 50.1 . . 1 . . . . 64 P CD . 17667 1 656 . 1 1 65 65 GLN H H 1 6.998 . . 1 . . . . 65 Q HN . 17667 1 657 . 1 1 65 65 GLN HA H 1 4.51 . . 1 . . . . 65 Q HA . 17667 1 658 . 1 1 65 65 GLN HB2 H 1 1.98 . . 2 . . . . 65 Q HB1 . 17667 1 659 . 1 1 65 65 GLN HB3 H 1 1.55 . . 2 . . . . 65 Q HB2 . 17667 1 660 . 1 1 65 65 GLN HG2 H 1 2.15 . . 2 . . . . 65 Q HG1 . 17667 1 661 . 1 1 65 65 GLN HG3 H 1 2.19 . . 2 . . . . 65 Q HG2 . 17667 1 662 . 1 1 65 65 GLN C C 13 175.600 . . 1 . . . . 65 Q C . 17667 1 663 . 1 1 65 65 GLN CA C 13 53.475 . . 1 . . . . 65 Q CA . 17667 1 664 . 1 1 65 65 GLN CB C 13 31.463 . . 1 . . . . 65 Q CB . 17667 1 665 . 1 1 65 65 GLN CG C 13 32.3 . . 1 . . . . 65 Q CG . 17667 1 666 . 1 1 65 65 GLN N N 15 122.330 . . 1 . . . . 65 Q N . 17667 1 667 . 1 1 66 66 PHE H H 1 8.332 . . 1 . . . . 66 F HN . 17667 1 668 . 1 1 66 66 PHE HA H 1 5.59 . . 1 . . . . 66 F HA . 17667 1 669 . 1 1 66 66 PHE HB2 H 1 3.07 . . 2 . . . . 66 F HB1 . 17667 1 670 . 1 1 66 66 PHE HB3 H 1 2.86 . . 2 . . . . 66 F HB2 . 17667 1 671 . 1 1 66 66 PHE HD1 H 1 7.18 . . 3 . . . . 66 F HD1 . 17667 1 672 . 1 1 66 66 PHE HD2 H 1 7.18 . . 3 . . . . 66 F HD2 . 17667 1 673 . 1 1 66 66 PHE HE1 H 1 7.00 . . 3 . . . . 66 F HE1 . 17667 1 674 . 1 1 66 66 PHE HE2 H 1 7.00 . . 3 . . . . 66 F HE2 . 17667 1 675 . 1 1 66 66 PHE C C 13 176.660 . . 1 . . . . 66 F C . 17667 1 676 . 1 1 66 66 PHE CA C 13 58.176 . . 1 . . . . 66 F CA . 17667 1 677 . 1 1 66 66 PHE CB C 13 39.8 . . 1 . . . . 66 F CB . 17667 1 678 . 1 1 66 66 PHE CD1 C 13 129.9 . . 3 . . . . 66 F CD1 . 17667 1 679 . 1 1 66 66 PHE CD2 C 13 129.9 . . 3 . . . . 66 F CD2 . 17667 1 680 . 1 1 66 66 PHE CE1 C 13 129.8 . . 3 . . . . 66 F CE1 . 17667 1 681 . 1 1 66 66 PHE CE2 C 13 129.8 . . 3 . . . . 66 F CE2 . 17667 1 682 . 1 1 66 66 PHE N N 15 123.218 . . 1 . . . . 66 F N . 17667 1 683 . 1 1 67 67 TYR H H 1 8.622 . . 1 . . . . 67 Y HN . 17667 1 684 . 1 1 67 67 TYR HA H 1 4.87 . . 1 . . . . 67 Y HA . 17667 1 685 . 1 1 67 67 TYR HB2 H 1 3.13 . . 2 . . . . 67 Y HB1 . 17667 1 686 . 1 1 67 67 TYR HB3 H 1 3.07 . . 2 . . . . 67 Y HB2 . 17667 1 687 . 1 1 67 67 TYR HD1 H 1 7.06 . . 3 . . . . 67 Y HD1 . 17667 1 688 . 1 1 67 67 TYR HD2 H 1 7.06 . . 3 . . . . 67 Y HD2 . 17667 1 689 . 1 1 67 67 TYR HE1 H 1 6.53 . . 3 . . . . 67 Y HE1 . 17667 1 690 . 1 1 67 67 TYR HE2 H 1 6.53 . . 3 . . . . 67 Y HE2 . 17667 1 691 . 1 1 67 67 TYR C C 13 172.228 . . 1 . . . . 67 Y C . 17667 1 692 . 1 1 67 67 TYR CA C 13 56.012 . . 1 . . . . 67 Y CA . 17667 1 693 . 1 1 67 67 TYR CB C 13 40.417 . . 1 . . . . 67 Y CB . 17667 1 694 . 1 1 67 67 TYR CD1 C 13 132.6 . . 3 . . . . 67 Y CD1 . 17667 1 695 . 1 1 67 67 TYR CD2 C 13 132.6 . . 3 . . . . 67 Y CD2 . 17667 1 696 . 1 1 67 67 TYR CE1 C 13 116.9 . . 3 . . . . 67 Y CE1 . 17667 1 697 . 1 1 67 67 TYR CE2 C 13 116.9 . . 3 . . . . 67 Y CE2 . 17667 1 698 . 1 1 67 67 TYR N N 15 119.988 . . 1 . . . . 67 Y N . 17667 1 699 . 1 1 68 68 LYS H H 1 8.431 . . 1 . . . . 68 K HN . 17667 1 700 . 1 1 68 68 LYS HA H 1 4.85 . . 1 . . . . 68 K HA . 17667 1 701 . 1 1 68 68 LYS HB2 H 1 1.76 . . 2 . . . . 68 K HB1 . 17667 1 702 . 1 1 68 68 LYS HB3 H 1 1.76 . . 2 . . . . 68 K HB2 . 17667 1 703 . 1 1 68 68 LYS HG2 H 1 1.31 . . 2 . . . . 68 K HG1 . 17667 1 704 . 1 1 68 68 LYS HG3 H 1 1.57 . . 2 . . . . 68 K HG2 . 17667 1 705 . 1 1 68 68 LYS HD2 H 1 1.71 . . 2 . . . . 68 K HD1 . 17667 1 706 . 1 1 68 68 LYS HD3 H 1 1.71 . . 2 . . . . 68 K HD2 . 17667 1 707 . 1 1 68 68 LYS HE2 H 1 3.01 . . 2 . . . . 68 K HE1 . 17667 1 708 . 1 1 68 68 LYS HE3 H 1 3.21 . . 2 . . . . 68 K HE2 . 17667 1 709 . 1 1 68 68 LYS C C 13 175.824 . . 1 . . . . 68 K C . 17667 1 710 . 1 1 68 68 LYS CA C 13 55.714 . . 1 . . . . 68 K CA . 17667 1 711 . 1 1 68 68 LYS CB C 13 32.881 . . 1 . . . . 68 K CB . 17667 1 712 . 1 1 68 68 LYS CG C 13 24.6 . . 1 . . . . 68 K CG . 17667 1 713 . 1 1 68 68 LYS CD C 13 28.9 . . 1 . . . . 68 K CD . 17667 1 714 . 1 1 68 68 LYS CE C 13 41.7 . . 1 . . . . 68 K CE . 17667 1 715 . 1 1 68 68 LYS N N 15 121.648 . . 1 . . . . 68 K N . 17667 1 716 . 1 1 69 69 TYR H H 1 7.808 . . 1 . . . . 69 Y HN . 17667 1 717 . 1 1 69 69 TYR HA H 1 4.10 . . 1 . . . . 69 Y HA . 17667 1 718 . 1 1 69 69 TYR HB2 H 1 2.70 . . 2 . . . . 69 Y HB1 . 17667 1 719 . 1 1 69 69 TYR HB3 H 1 2.39 . . 2 . . . . 69 Y HB2 . 17667 1 720 . 1 1 69 69 TYR HD1 H 1 6.97 . . 3 . . . . 69 Y HD1 . 17667 1 721 . 1 1 69 69 TYR HD2 H 1 6.97 . . 3 . . . . 69 Y HD2 . 17667 1 722 . 1 1 69 69 TYR HE1 H 1 6.79 . . 3 . . . . 69 Y HE1 . 17667 1 723 . 1 1 69 69 TYR HE2 H 1 6.79 . . 3 . . . . 69 Y HE2 . 17667 1 724 . 1 1 69 69 TYR C C 13 174.839 . . 1 . . . . 69 Y C . 17667 1 725 . 1 1 69 69 TYR CA C 13 59.594 . . 1 . . . . 69 Y CA . 17667 1 726 . 1 1 69 69 TYR CB C 13 40.194 . . 1 . . . . 69 Y CB . 17667 1 727 . 1 1 69 69 TYR CD1 C 13 132.9 . . 3 . . . . 69 Y CD1 . 17667 1 728 . 1 1 69 69 TYR CD2 C 13 132.9 . . 3 . . . . 69 Y CD2 . 17667 1 729 . 1 1 69 69 TYR CE1 C 13 116.9 . . 3 . . . . 69 Y CE1 . 17667 1 730 . 1 1 69 69 TYR CE2 C 13 116.9 . . 3 . . . . 69 Y CE2 . 17667 1 731 . 1 1 69 69 TYR N N 15 126.386 . . 1 . . . . 69 Y N . 17667 1 732 . 1 1 70 70 LEU H H 1 7.711 . . 1 . . . . 70 L HN . 17667 1 733 . 1 1 70 70 LEU HA H 1 3.76 . . 1 . . . . 70 L HA . 17667 1 734 . 1 1 70 70 LEU HB2 H 1 1.31 . . 2 . . . . 70 L HB1 . 17667 1 735 . 1 1 70 70 LEU HB3 H 1 1.31 . . 2 . . . . 70 L HB2 . 17667 1 736 . 1 1 70 70 LEU HG H 1 1.39 . . 1 . . . . 70 L HG . 17667 1 737 . 1 1 70 70 LEU HD11 H 1 0.82 . . 2 . . . . 70 L HD11 . 17667 1 738 . 1 1 70 70 LEU HD12 H 1 0.82 . . 2 . . . . 70 L HD11 . 17667 1 739 . 1 1 70 70 LEU HD13 H 1 0.82 . . 2 . . . . 70 L HD11 . 17667 1 740 . 1 1 70 70 LEU HD21 H 1 0.79 . . 2 . . . . 70 L HD21 . 17667 1 741 . 1 1 70 70 LEU HD22 H 1 0.79 . . 2 . . . . 70 L HD21 . 17667 1 742 . 1 1 70 70 LEU HD23 H 1 0.79 . . 2 . . . . 70 L HD21 . 17667 1 743 . 1 1 70 70 LEU C C 13 177.227 . . 1 . . . . 70 L C . 17667 1 744 . 1 1 70 70 LEU CA C 13 57.057 . . 1 . . . . 70 L CA . 17667 1 745 . 1 1 70 70 LEU CB C 13 41.238 . . 1 . . . . 70 L CB . 17667 1 746 . 1 1 70 70 LEU CG C 13 26.8 . . 1 . . . . 70 L CG . 17667 1 747 . 1 1 70 70 LEU CD1 C 13 23.6 . . 2 . . . . 70 L CD1 . 17667 1 748 . 1 1 70 70 LEU CD2 C 13 24.1 . . 2 . . . . 70 L CD2 . 17667 1 749 . 1 1 70 70 LEU N N 15 128.629 . . 1 . . . . 70 L N . 17667 1 750 . 1 1 71 71 GLY H H 1 9.272 . . 1 . . . . 71 G HN . 17667 1 751 . 1 1 71 71 GLY HA2 H 1 4.18 . . 2 . . . . 71 G HA1 . 17667 1 752 . 1 1 71 71 GLY HA3 H 1 3.81 . . 2 . . . . 71 G HA2 . 17667 1 753 . 1 1 71 71 GLY C C 13 173.646 . . 1 . . . . 71 G C . 17667 1 754 . 1 1 71 71 GLY CA C 13 45.268 . . 1 . . . . 71 G CA . 17667 1 755 . 1 1 71 71 GLY N N 15 114.781 . . 1 . . . . 71 G N . 17667 1 756 . 1 1 72 72 ASP H H 1 7.680 . . 1 . . . . 72 D HN . 17667 1 757 . 1 1 72 72 ASP HA H 1 5.04 . . 1 . . . . 72 D HA . 17667 1 758 . 1 1 72 72 ASP HB2 H 1 2.53 . . 2 . . . . 72 D HB1 . 17667 1 759 . 1 1 72 72 ASP HB3 H 1 2.31 . . 2 . . . . 72 D HB2 . 17667 1 760 . 1 1 72 72 ASP C C 13 176.824 . . 1 . . . . 72 D C . 17667 1 761 . 1 1 72 72 ASP CA C 13 55.639 . . 1 . . . . 72 D CA . 17667 1 762 . 1 1 72 72 ASP CB C 13 41.089 . . 1 . . . . 72 D CB . 17667 1 763 . 1 1 72 72 ASP N N 15 122.560 . . 1 . . . . 72 D N . 17667 1 764 . 1 1 73 73 MET H H 1 8.826 . . 1 . . . . 73 M HN . 17667 1 765 . 1 1 73 73 MET HA H 1 5.29 . . 1 . . . . 73 M HA . 17667 1 766 . 1 1 73 73 MET HB2 H 1 2.0 . . 2 . . . . 73 M HB1 . 17667 1 767 . 1 1 73 73 MET HB3 H 1 2.30 . . 2 . . . . 73 M HB2 . 17667 1 768 . 1 1 73 73 MET HG2 H 1 2.85 . . 2 . . . . 73 M HG1 . 17667 1 769 . 1 1 73 73 MET HG3 H 1 2.85 . . 2 . . . . 73 M HG2 . 17667 1 770 . 1 1 73 73 MET C C 13 175.720 . . 1 . . . . 73 M C . 17667 1 771 . 1 1 73 73 MET CA C 13 55.117 . . 1 . . . . 73 M CA . 17667 1 772 . 1 1 73 73 MET CB C 13 36.313 . . 1 . . . . 73 M CB . 17667 1 773 . 1 1 73 73 MET CG C 13 32.5 . . 1 . . . . 73 M CG . 17667 1 774 . 1 1 73 73 MET N N 15 118.999 . . 1 . . . . 73 M N . 17667 1 775 . 1 1 74 74 THR H H 1 8.411 . . 1 . . . . 74 T HN . 17667 1 776 . 1 1 74 74 THR HA H 1 5.83 . . 1 . . . . 74 T HA . 17667 1 777 . 1 1 74 74 THR HB H 1 3.73 . . 1 . . . . 74 T HB . 17667 1 778 . 1 1 74 74 THR HG21 H 1 1.29 . . 1 . . . . 74 T HG21 . 17667 1 779 . 1 1 74 74 THR HG22 H 1 1.29 . . 1 . . . . 74 T HG21 . 17667 1 780 . 1 1 74 74 THR HG23 H 1 1.29 . . 1 . . . . 74 T HG21 . 17667 1 781 . 1 1 74 74 THR C C 13 173.690 . . 1 . . . . 74 T C . 17667 1 782 . 1 1 74 74 THR CA C 13 61.460 . . 1 . . . . 74 T CA . 17667 1 783 . 1 1 74 74 THR CB C 13 71.831 . . 1 . . . . 74 T CB . 17667 1 784 . 1 1 74 74 THR CG2 C 13 21.5 . . 1 . . . . 74 T CG2 . 17667 1 785 . 1 1 74 74 THR N N 15 118.609 . . 1 . . . . 74 T N . 17667 1 786 . 1 1 75 75 GLY H H 1 8.230 . . 1 . . . . 75 G HN . 17667 1 787 . 1 1 75 75 GLY HA2 H 1 5.07 . . 2 . . . . 75 G HA1 . 17667 1 788 . 1 1 75 75 GLY HA3 H 1 3.31 . . 2 . . . . 75 G HA2 . 17667 1 789 . 1 1 75 75 GLY C C 13 171.766 . . 1 . . . . 75 G C . 17667 1 790 . 1 1 75 75 GLY CA C 13 43.924 . . 1 . . . . 75 G CA . 17667 1 791 . 1 1 75 75 GLY N N 15 113.677 . . 1 . . . . 75 G N . 17667 1 792 . 1 1 76 76 SER H H 1 7.808 . . 1 . . . . 76 S HN . 17667 1 793 . 1 1 76 76 SER HA H 1 4.38 . . 1 . . . . 76 S HA . 17667 1 794 . 1 1 76 76 SER HB2 H 1 3.20 . . 2 . . . . 76 S HB1 . 17667 1 795 . 1 1 76 76 SER HB3 H 1 3.05 . . 2 . . . . 76 S HB2 . 17667 1 796 . 1 1 76 76 SER C C 13 174.615 . . 1 . . . . 76 S C . 17667 1 797 . 1 1 76 76 SER CA C 13 57.803 . . 1 . . . . 76 S CA . 17667 1 798 . 1 1 76 76 SER CB C 13 64.743 . . 1 . . . . 76 S CB . 17667 1 799 . 1 1 76 76 SER N N 15 112.778 . . 1 . . . . 76 S N . 17667 1 800 . 1 1 77 77 ARG H H 1 7.927 . . 1 . . . . 77 R HN . 17667 1 801 . 1 1 77 77 ARG HA H 1 3.99 . . 1 . . . . 77 R HA . 17667 1 802 . 1 1 77 77 ARG HB2 H 1 1.97 . . 2 . . . . 77 R HB1 . 17667 1 803 . 1 1 77 77 ARG HB3 H 1 1.92 . . 2 . . . . 77 R HB2 . 17667 1 804 . 1 1 77 77 ARG HG2 H 1 1.71 . . 2 . . . . 77 R HG1 . 17667 1 805 . 1 1 77 77 ARG HG3 H 1 1.71 . . 2 . . . . 77 R HG2 . 17667 1 806 . 1 1 77 77 ARG HD2 H 1 3.24 . . 2 . . . . 77 R HD1 . 17667 1 807 . 1 1 77 77 ARG HD3 H 1 3.67 . . 2 . . . . 77 R HD2 . 17667 1 808 . 1 1 77 77 ARG C C 13 175.735 . . 1 . . . . 77 R C . 17667 1 809 . 1 1 77 77 ARG CA C 13 60.490 . . 1 . . . . 77 R CA . 17667 1 810 . 1 1 77 77 ARG CB C 13 30.642 . . 1 . . . . 77 R CB . 17667 1 811 . 1 1 77 77 ARG CG C 13 27.3 . . 1 . . . . 77 R CG . 17667 1 812 . 1 1 77 77 ARG CD C 13 42.9 . . 1 . . . . 77 R CD . 17667 1 813 . 1 1 77 77 ARG N N 15 123.400 . . 1 . . . . 77 R N . 17667 1 814 . 1 1 78 78 THR H H 1 7.863 . . 1 . . . . 78 T HN . 17667 1 815 . 1 1 78 78 THR HA H 1 4.51 . . 1 . . . . 78 T HA . 17667 1 816 . 1 1 78 78 THR HG21 H 1 1.22 . . 1 . . . . 78 T HG21 . 17667 1 817 . 1 1 78 78 THR HG22 H 1 1.22 . . 1 . . . . 78 T HG21 . 17667 1 818 . 1 1 78 78 THR HG23 H 1 1.22 . . 1 . . . . 78 T HG21 . 17667 1 819 . 1 1 78 78 THR C C 13 173.690 . . 1 . . . . 78 T C . 17667 1 820 . 1 1 78 78 THR CA C 13 59.669 . . 1 . . . . 78 T CA . 17667 1 821 . 1 1 78 78 THR CB C 13 70.264 . . 1 . . . . 78 T CB . 17667 1 822 . 1 1 78 78 THR N N 15 106.934 . . 1 . . . . 78 T N . 17667 1 823 . 1 1 80 80 ASP HA H 1 4.72 . . 1 . . . . 80 D HA . 17667 1 824 . 1 1 80 80 ASP HB2 H 1 2.79 . . 2 . . . . 80 D HB1 . 17667 1 825 . 1 1 80 80 ASP HB3 H 1 2.65 . . 2 . . . . 80 D HB2 . 17667 1 826 . 1 1 80 80 ASP C C 13 176.182 . . 1 . . . . 80 D C . 17667 1 827 . 1 1 80 80 ASP CA C 13 54.669 . . 1 . . . . 80 D CA . 17667 1 828 . 1 1 80 80 ASP CB C 13 41.313 . . 1 . . . . 80 D CB . 17667 1 829 . 1 1 81 81 THR H H 1 8.090 . . 1 . . . . 81 T HN . 17667 1 830 . 1 1 81 81 THR HA H 1 4.41 . . 1 . . . . 81 T HA . 17667 1 831 . 1 1 81 81 THR C C 13 173.899 . . 1 . . . . 81 T C . 17667 1 832 . 1 1 81 81 THR CA C 13 61.683 . . 1 . . . . 81 T CA . 17667 1 833 . 1 1 81 81 THR CB C 13 69.667 . . 1 . . . . 81 T CB . 17667 1 834 . 1 1 81 81 THR CG2 C 13 21.35 . . 1 . . . . 81 T CG2 . 17667 1 835 . 1 1 81 81 THR N N 15 113.693 . . 1 . . . . 81 T N . 17667 1 836 . 1 1 82 82 SER H H 1 7.986 . . 1 . . . . 82 S HN . 17667 1 837 . 1 1 82 82 SER C C 13 178.749 . . 1 . . . . 82 S C . 17667 1 838 . 1 1 82 82 SER CA C 13 60.191 . . 1 . . . . 82 S CA . 17667 1 839 . 1 1 82 82 SER CB C 13 64.892 . . 1 . . . . 82 S CB . 17667 1 840 . 1 1 82 82 SER N N 15 123.528 . . 1 . . . . 82 S N . 17667 1 stop_ save_