data_17766 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17766 _Entry.Title ; Secondary structure of subunit E (E133-222) from Saccharomyces cerevisiae V1VO ATPase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-07 _Entry.Accession_date 2011-07-07 _Entry.Last_release_date . _Entry.Original_release_date . _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 rishikesan sankaranarayanan . . . 17766 2 gerhard grueber . . . 17766 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17766 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 17766 '15N chemical shifts' 89 17766 '1H chemical shifts' 568 17766 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-02-15 2011-07-07 update BMRB 'update entry citation' 17766 1 . . 2011-08-16 2011-07-07 original author 'original release' 17766 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17766 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21826517 _Citation.Full_citation . _Citation.Title 'Structural elements of the C-terminal domain of subunit E (E133-222) from the Saccharomyces cerevisiae V1V0 ATPase determined by solution NMR spectroscopy' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bioenerg. Biomembr.' _Citation.Journal_name_full 'Journal of bioenergetics and biomembranes' _Citation.Journal_volume 43 _Citation.Journal_issue 5 _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 447 _Citation.Page_last 455 _Citation.Year 2011 _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 Sankaranarayanan Rishikesan . . . 17766 1 2 Gerhard Gruber . . . 17766 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17766 _Assembly.ID 1 _Assembly.Name E133-222 _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 V-ATPase 1 $E133-222 A . yes native no no . . . 17766 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E133-222 _Entity.Sf_category entity _Entity.Sf_framecode E133-222 _Entity.Entry_ID 17766 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E133-222 _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 ; MVLEPKAIVKALERDVDLIE SMKDDIMREYGEKAQRAPLE EIVISNDYLNKDLVSGGVVV SNASDKIEINNTLEERLKLL SEEALPAIRLEL ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 3J9T . "Yeast V-atpase State 1" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 2 no PDB 3J9U . "Yeast V-atpase State 2" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 3 no PDB 3J9V . "Yeast V-atpase State 3" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 4 no PDB 4DL0 . "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 5 no PDB 4EFA . "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase - Second Conformation" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 6 no DBJ GAA26638 . "K7_Vma4p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 7 no EMBL CAA89978 . "VMA4 [Saccharomyces cerevisiae]" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 8 no EMBL CAA99654 . "VMA4 [Saccharomyces cerevisiae]" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 9 no EMBL CAY86613 . "Vma4p [Saccharomyces cerevisiae EC1118]" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 10 no GB AAA35209 . "vacuolar membrane ATPase [Saccharomyces cerevisiae]" . . . . . 98.91 233 98.90 100.00 1.22e-52 . . . . 17766 1 11 no GB AHY77605 . "Vma4p [Saccharomyces cerevisiae YJM993]" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 12 no GB AJP41835 . "Vma4p [Saccharomyces cerevisiae YJM1078]" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 13 no GB AJT71258 . "Vma4p [Saccharomyces cerevisiae YJM189]" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 14 no GB AJT71746 . "Vma4p [Saccharomyces cerevisiae YJM193]" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 15 no REF NP_014977 . "H(+)-transporting V1 sector ATPase subunit E [Saccharomyces cerevisiae S288c]" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 16 no SP P22203 . "RecName: Full=V-type proton ATPase subunit E; Short=V-ATPase subunit E; AltName: Full=V-ATPase 27 kDa subunit; AltName: Full=Va" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 1 17 no TPG DAA11094 . "TPA: H(+)-transporting V1 sector ATPase subunit E [Saccharomyces cerevisiae S288c]" . . . . . 98.91 233 98.90 100.00 1.42e-52 . . . . 17766 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 . MET . 17766 1 2 . VAL . 17766 1 3 . LEU . 17766 1 4 . GLU . 17766 1 5 . PRO . 17766 1 6 . LYS . 17766 1 7 . ALA . 17766 1 8 . ILE . 17766 1 9 . VAL . 17766 1 10 . LYS . 17766 1 11 . ALA . 17766 1 12 . LEU . 17766 1 13 . GLU . 17766 1 14 . ARG . 17766 1 15 . ASP . 17766 1 16 . VAL . 17766 1 17 . ASP . 17766 1 18 . LEU . 17766 1 19 . ILE . 17766 1 20 . GLU . 17766 1 21 . SER . 17766 1 22 . MET . 17766 1 23 . LYS . 17766 1 24 . ASP . 17766 1 25 . ASP . 17766 1 26 . ILE . 17766 1 27 . MET . 17766 1 28 . ARG . 17766 1 29 . GLU . 17766 1 30 . TYR . 17766 1 31 . GLY . 17766 1 32 . GLU . 17766 1 33 . LYS . 17766 1 34 . ALA . 17766 1 35 . GLN . 17766 1 36 . ARG . 17766 1 37 . ALA . 17766 1 38 . PRO . 17766 1 39 . LEU . 17766 1 40 . GLU . 17766 1 41 . GLU . 17766 1 42 . ILE . 17766 1 43 . VAL . 17766 1 44 . ILE . 17766 1 45 . SER . 17766 1 46 . ASN . 17766 1 47 . ASP . 17766 1 48 . TYR . 17766 1 49 . LEU . 17766 1 50 . ASN . 17766 1 51 . LYS . 17766 1 52 . ASP . 17766 1 53 . LEU . 17766 1 54 . VAL . 17766 1 55 . SER . 17766 1 56 . GLY . 17766 1 57 . GLY . 17766 1 58 . VAL . 17766 1 59 . VAL . 17766 1 60 . VAL . 17766 1 61 . SER . 17766 1 62 . ASN . 17766 1 63 . ALA . 17766 1 64 . SER . 17766 1 65 . ASP . 17766 1 66 . LYS . 17766 1 67 . ILE . 17766 1 68 . GLU . 17766 1 69 . ILE . 17766 1 70 . ASN . 17766 1 71 . ASN . 17766 1 72 . THR . 17766 1 73 . LEU . 17766 1 74 . GLU . 17766 1 75 . GLU . 17766 1 76 . ARG . 17766 1 77 . LEU . 17766 1 78 . LYS . 17766 1 79 . LEU . 17766 1 80 . LEU . 17766 1 81 . SER . 17766 1 82 . GLU . 17766 1 83 . GLU . 17766 1 84 . ALA . 17766 1 85 . LEU . 17766 1 86 . PRO . 17766 1 87 . ALA . 17766 1 88 . ILE . 17766 1 89 . ARG . 17766 1 90 . LEU . 17766 1 91 . GLU . 17766 1 92 . LEU . 17766 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 . MET 1 1 17766 1 . VAL 2 2 17766 1 . LEU 3 3 17766 1 . GLU 4 4 17766 1 . PRO 5 5 17766 1 . LYS 6 6 17766 1 . ALA 7 7 17766 1 . ILE 8 8 17766 1 . VAL 9 9 17766 1 . LYS 10 10 17766 1 . ALA 11 11 17766 1 . LEU 12 12 17766 1 . GLU 13 13 17766 1 . ARG 14 14 17766 1 . ASP 15 15 17766 1 . VAL 16 16 17766 1 . ASP 17 17 17766 1 . LEU 18 18 17766 1 . ILE 19 19 17766 1 . GLU 20 20 17766 1 . SER 21 21 17766 1 . MET 22 22 17766 1 . LYS 23 23 17766 1 . ASP 24 24 17766 1 . ASP 25 25 17766 1 . ILE 26 26 17766 1 . MET 27 27 17766 1 . ARG 28 28 17766 1 . GLU 29 29 17766 1 . TYR 30 30 17766 1 . GLY 31 31 17766 1 . GLU 32 32 17766 1 . LYS 33 33 17766 1 . ALA 34 34 17766 1 . GLN 35 35 17766 1 . ARG 36 36 17766 1 . ALA 37 37 17766 1 . PRO 38 38 17766 1 . LEU 39 39 17766 1 . GLU 40 40 17766 1 . GLU 41 41 17766 1 . ILE 42 42 17766 1 . VAL 43 43 17766 1 . ILE 44 44 17766 1 . SER 45 45 17766 1 . ASN 46 46 17766 1 . ASP 47 47 17766 1 . TYR 48 48 17766 1 . LEU 49 49 17766 1 . ASN 50 50 17766 1 . LYS 51 51 17766 1 . ASP 52 52 17766 1 . LEU 53 53 17766 1 . VAL 54 54 17766 1 . SER 55 55 17766 1 . GLY 56 56 17766 1 . GLY 57 57 17766 1 . VAL 58 58 17766 1 . VAL 59 59 17766 1 . VAL 60 60 17766 1 . SER 61 61 17766 1 . ASN 62 62 17766 1 . ALA 63 63 17766 1 . SER 64 64 17766 1 . ASP 65 65 17766 1 . LYS 66 66 17766 1 . ILE 67 67 17766 1 . GLU 68 68 17766 1 . ILE 69 69 17766 1 . ASN 70 70 17766 1 . ASN 71 71 17766 1 . THR 72 72 17766 1 . LEU 73 73 17766 1 . GLU 74 74 17766 1 . GLU 75 75 17766 1 . ARG 76 76 17766 1 . LEU 77 77 17766 1 . LYS 78 78 17766 1 . LEU 79 79 17766 1 . LEU 80 80 17766 1 . SER 81 81 17766 1 . GLU 82 82 17766 1 . GLU 83 83 17766 1 . ALA 84 84 17766 1 . LEU 85 85 17766 1 . PRO 86 86 17766 1 . ALA 87 87 17766 1 . ILE 88 88 17766 1 . ARG 89 89 17766 1 . LEU 90 90 17766 1 . GLU 91 91 17766 1 . LEU 92 92 17766 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 17766 _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 $E133-222 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17766 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 17766 _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 $E133-222 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET9d . . . . . . 17766 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17766 _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 E133-222 '[U-13C; U-15N]' . . 1 $E133-222 . . 0.5 . . mM . . . . 17766 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17766 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17766 1 4 Na2PO4 'natural abundance' . . . . . . 25 . . mM . . . . 17766 1 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17766 1 6 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 17766 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 17766 _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' 200 . mM 17766 1 pH 6.0 . pH 17766 1 pressure 1 . atm 17766 1 temperature 293 . K 17766 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17766 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17766 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17766 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17766 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17766 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17766 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17766 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17766 _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 . 600 . . . 17766 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 17766 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17766 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17766 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17766 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17766 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17766 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 17766 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17766 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17766 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17766 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 17766 _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' . . . 17766 1 2 '3D CBCA(CO)NH' . . . 17766 1 3 '3D HNCACB' . . . 17766 1 4 '3D HNCO' . . . 17766 1 5 '3D 1H-15N NOESY' . . . 17766 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.50 0.02 . 1 . . . . 1 MET H . 17766 1 2 . 1 1 1 1 MET HA H 1 4.30 0.40 . 1 . . . . 1 MET HA . 17766 1 3 . 1 1 1 1 MET HB2 H 1 1.87 0.20 . 1 . . . . 1 MET HB2 . 17766 1 4 . 1 1 1 1 MET HB3 H 1 1.87 0.20 . 1 . . . . 1 MET HB3 . 17766 1 5 . 1 1 1 1 MET HG2 H 1 2.38 0.20 . 1 . . . . 1 MET HG2 . 17766 1 6 . 1 1 1 1 MET HG3 H 1 2.38 0.20 . 1 . . . . 1 MET HG3 . 17766 1 7 . 1 1 1 1 MET C C 13 173.0 0.40 . 1 . . . . 1 MET C . 17766 1 8 . 1 1 1 1 MET CA C 13 56.00 0.40 . 1 . . . . 1 MET CA . 17766 1 9 . 1 1 1 1 MET CB C 13 33.00 0.40 . 1 . . . . 1 MET CB . 17766 1 10 . 1 1 1 1 MET N N 15 121.1 0.40 . 1 . . . . 1 MET N . 17766 1 11 . 1 1 2 2 VAL H H 1 8.08 0.02 . 1 . . . . 2 VAL H . 17766 1 12 . 1 1 2 2 VAL HA H 1 3.98 0.40 . 1 . . . . 2 VAL HA . 17766 1 13 . 1 1 2 2 VAL HB H 1 1.91 0.02 . 1 . . . . 2 VAL HB . 17766 1 14 . 1 1 2 2 VAL C C 13 172.9 0.40 . 1 . . . . 2 VAL C . 17766 1 15 . 1 1 2 2 VAL CA C 13 63.30 0.40 . 1 . . . . 2 VAL CA . 17766 1 16 . 1 1 2 2 VAL CB C 13 32.02 0.40 . 1 . . . . 2 VAL CB . 17766 1 17 . 1 1 2 2 VAL N N 15 122.3 0.40 . 1 . . . . 2 VAL N . 17766 1 18 . 1 1 3 3 LEU H H 1 8.26 0.02 . 1 . . . . 3 LEU H . 17766 1 19 . 1 1 3 3 LEU HA H 1 4.17 0.40 . 1 . . . . 3 LEU HA . 17766 1 20 . 1 1 3 3 LEU HB2 H 1 1.46 0.02 . 1 . . . . 3 LEU HB2 . 17766 1 21 . 1 1 3 3 LEU HB3 H 1 1.46 0.02 . 1 . . . . 3 LEU HB3 . 17766 1 22 . 1 1 3 3 LEU HG H 1 1.45 0.02 . 1 . . . . 3 LEU HG . 17766 1 23 . 1 1 3 3 LEU C C 13 174.6 0.40 . 1 . . . . 3 LEU C . 17766 1 24 . 1 1 3 3 LEU CA C 13 55.50 0.40 . 1 . . . . 3 LEU CA . 17766 1 25 . 1 1 3 3 LEU CB C 13 41.90 0.40 . 1 . . . . 3 LEU CB . 17766 1 26 . 1 1 3 3 LEU N N 15 126.5 0.40 . 1 . . . . 3 LEU N . 17766 1 27 . 1 1 4 4 GLU H H 1 8.23 0.02 . 1 . . . . 4 GLU H . 17766 1 28 . 1 1 4 4 GLU HA H 1 4.14 0.40 . 1 . . . . 4 GLU HA . 17766 1 29 . 1 1 4 4 GLU HB2 H 1 2.04 0.02 . 1 . . . . 4 GLU HB2 . 17766 1 30 . 1 1 4 4 GLU HB3 H 1 2.04 0.02 . 1 . . . . 4 GLU HB3 . 17766 1 31 . 1 1 4 4 GLU HG2 H 1 2.24 0.02 . 1 . . . . 4 GLU HG2 . 17766 1 32 . 1 1 4 4 GLU HG3 H 1 2.24 0.02 . 1 . . . . 4 GLU HG3 . 17766 1 33 . 1 1 4 4 GLU C C 13 174.1 0.40 . 1 . . . . 4 GLU C . 17766 1 34 . 1 1 4 4 GLU CA C 13 56.60 0.40 . 1 . . . . 4 GLU CA . 17766 1 35 . 1 1 4 4 GLU CB C 13 28.39 0.40 . 1 . . . . 4 GLU CB . 17766 1 36 . 1 1 4 4 GLU N N 15 121.6 0.40 . 1 . . . . 4 GLU N . 17766 1 37 . 1 1 5 5 PRO HA H 1 4.26 0.02 . 1 . . . . 5 PRO HA . 17766 1 38 . 1 1 5 5 PRO HB2 H 1 2.16 0.40 . 1 . . . . 5 PRO HB2 . 17766 1 39 . 1 1 5 5 PRO HB3 H 1 2.16 0.02 . 1 . . . . 5 PRO HB3 . 17766 1 40 . 1 1 5 5 PRO HG2 H 1 1.90 0.02 . 1 . . . . 5 PRO HG2 . 17766 1 41 . 1 1 5 5 PRO HG3 H 1 1.90 0.02 . 1 . . . . 5 PRO HG3 . 17766 1 42 . 1 1 5 5 PRO HD2 H 1 3.65 0.02 . 1 . . . . 5 PRO HD2 . 17766 1 43 . 1 1 5 5 PRO C C 13 174.1 0.40 . 1 . . . . 5 PRO C . 17766 1 44 . 1 1 5 5 PRO CA C 13 62.00 0.40 . 1 . . . . 5 PRO CA . 17766 1 45 . 1 1 5 5 PRO CB C 13 31.87 0.40 . 1 . . . . 5 PRO CB . 17766 1 46 . 1 1 6 6 LYS H H 1 8.30 0.02 . 1 . . . . 6 LYS H . 17766 1 47 . 1 1 6 6 LYS HA H 1 4.17 0.40 . 1 . . . . 6 LYS HA . 17766 1 48 . 1 1 6 6 LYS HB2 H 1 1.70 0.02 . 1 . . . . 6 LYS HB2 . 17766 1 49 . 1 1 6 6 LYS HB3 H 1 1.70 0.02 . 1 . . . . 6 LYS HB3 . 17766 1 50 . 1 1 6 6 LYS HG2 H 1 1.32 0.02 . 1 . . . . 6 LYS HG2 . 17766 1 51 . 1 1 6 6 LYS HG3 H 1 1.32 0.02 . 1 . . . . 6 LYS HG3 . 17766 1 52 . 1 1 6 6 LYS HD2 H 1 1.60 0.02 . 1 . . . . 6 LYS HD2 . 17766 1 53 . 1 1 6 6 LYS HD3 H 1 1.61 0.02 . 1 . . . . 6 LYS HD3 . 17766 1 54 . 1 1 6 6 LYS HE2 H 1 2.87 0.02 . 1 . . . . 6 LYS HE2 . 17766 1 55 . 1 1 6 6 LYS HE3 H 1 2.87 0.02 . 1 . . . . 6 LYS HE3 . 17766 1 56 . 1 1 6 6 LYS C C 13 173.2 0.40 . 1 . . . . 6 LYS C . 17766 1 57 . 1 1 6 6 LYS CA C 13 55.02 0.40 . 1 . . . . 6 LYS CA . 17766 1 58 . 1 1 6 6 LYS CB C 13 31.31 0.40 . 1 . . . . 6 LYS CB . 17766 1 59 . 1 1 6 6 LYS N N 15 120.8 0.40 . 1 . . . . 6 LYS N . 17766 1 60 . 1 1 7 7 ALA H H 1 8.21 0.02 . 1 . . . . 7 ALA H . 17766 1 61 . 1 1 7 7 ALA HA H 1 4.00 0.40 . 1 . . . . 7 ALA HA . 17766 1 62 . 1 1 7 7 ALA HB1 H 1 1.25 0.02 . 1 . . . . 7 ALA HB . 17766 1 63 . 1 1 7 7 ALA HB2 H 1 1.25 0.02 . 1 . . . . 7 ALA HB . 17766 1 64 . 1 1 7 7 ALA HB3 H 1 1.25 0.02 . 1 . . . . 7 ALA HB . 17766 1 65 . 1 1 7 7 ALA CA C 13 51.00 0.40 . 1 . . . . 7 ALA CA . 17766 1 66 . 1 1 7 7 ALA CB C 13 18.04 0.40 . 1 . . . . 7 ALA CB . 17766 1 67 . 1 1 7 7 ALA N N 15 125.5 0.40 . 1 . . . . 7 ALA N . 17766 1 68 . 1 1 8 8 ILE H H 1 7.97 0.02 . 1 . . . . 8 ILE H . 17766 1 69 . 1 1 8 8 ILE HA H 1 4.02 0.40 . 1 . . . . 8 ILE HA . 17766 1 70 . 1 1 8 8 ILE HB H 1 1.68 0.02 . 1 . . . . 8 ILE HB . 17766 1 71 . 1 1 8 8 ILE HG12 H 1 1.04 0.02 . 1 . . . . 8 ILE HG12 . 17766 1 72 . 1 1 8 8 ILE HG13 H 1 1.04 0.02 . 1 . . . . 8 ILE HG13 . 17766 1 73 . 1 1 8 8 ILE HG21 H 1 0.74 0.02 . 1 . . . . 8 ILE HD . 17766 1 74 . 1 1 8 8 ILE HG22 H 1 0.74 0.02 . 1 . . . . 8 ILE HD . 17766 1 75 . 1 1 8 8 ILE HG23 H 1 0.74 0.02 . 1 . . . . 8 ILE HD . 17766 1 76 . 1 1 8 8 ILE C C 13 173.2 0.40 . 1 . . . . 8 ILE C . 17766 1 77 . 1 1 8 8 ILE CA C 13 61.00 0.40 . 1 . . . . 8 ILE CA . 17766 1 78 . 1 1 8 8 ILE CB C 13 37.62 0.40 . 1 . . . . 8 ILE CB . 17766 1 79 . 1 1 8 8 ILE N N 15 120.1 0.40 . 1 . . . . 8 ILE N . 17766 1 80 . 1 1 9 9 VAL H H 1 8.19 0.02 . 1 . . . . 9 VAL H . 17766 1 81 . 1 1 9 9 VAL HA H 1 4.02 0.40 . 1 . . . . 9 VAL HA . 17766 1 82 . 1 1 9 9 VAL HB H 1 1.87 0.02 . 1 . . . . 9 VAL HB . 17766 1 83 . 1 1 9 9 VAL HG11 H 1 0.75 0.02 . 1 . . . . 9 VAL HG1 . 17766 1 84 . 1 1 9 9 VAL HG12 H 1 0.75 0.02 . 1 . . . . 9 VAL HG1 . 17766 1 85 . 1 1 9 9 VAL HG13 H 1 0.75 0.02 . 1 . . . . 9 VAL HG1 . 17766 1 86 . 1 1 9 9 VAL HG21 H 1 0.75 0.02 . 1 . . . . 9 VAL HG2 . 17766 1 87 . 1 1 9 9 VAL HG22 H 1 0.75 0.02 . 1 . . . . 9 VAL HG2 . 17766 1 88 . 1 1 9 9 VAL HG23 H 1 0.75 0.02 . 1 . . . . 9 VAL HG2 . 17766 1 89 . 1 1 9 9 VAL C C 13 174.2 0.40 . 1 . . . . 9 VAL C . 17766 1 90 . 1 1 9 9 VAL CA C 13 61.38 0.40 . 1 . . . . 9 VAL CA . 17766 1 91 . 1 1 9 9 VAL CB C 13 31.54 0.40 . 1 . . . . 9 VAL CB . 17766 1 92 . 1 1 9 9 VAL N N 15 125.9 0.40 . 1 . . . . 9 VAL N . 17766 1 93 . 1 1 10 10 LYS H H 1 8.20 0.02 . 1 . . . . 10 LYS H . 17766 1 94 . 1 1 10 10 LYS HA H 1 4.15 0.40 . 1 . . . . 10 LYS HA . 17766 1 95 . 1 1 10 10 LYS HB2 H 1 1.75 0.02 . 1 . . . . 10 LYS HB2 . 17766 1 96 . 1 1 10 10 LYS HB3 H 1 1.75 0.02 . 1 . . . . 10 LYS HB3 . 17766 1 97 . 1 1 10 10 LYS HG2 H 1 1.35 0.02 . 1 . . . . 10 LYS HG2 . 17766 1 98 . 1 1 10 10 LYS HG3 H 1 1.34 0.02 . 1 . . . . 10 LYS HG3 . 17766 1 99 . 1 1 10 10 LYS HD2 H 1 1.60 0.02 . 1 . . . . 10 LYS HD2 . 17766 1 100 . 1 1 10 10 LYS HD3 H 1 1.60 0.02 . 1 . . . . 10 LYS HD3 . 17766 1 101 . 1 1 10 10 LYS HE2 H 1 2.90 0.02 . 1 . . . . 10 LYS HE2 . 17766 1 102 . 1 1 10 10 LYS HE3 H 1 2.90 0.02 . 1 . . . . 10 LYS HE3 . 17766 1 103 . 1 1 10 10 LYS C C 13 173.6 0.40 . 1 . . . . 10 LYS C . 17766 1 104 . 1 1 10 10 LYS CA C 13 56.32 0.40 . 1 . . . . 10 LYS CA . 17766 1 105 . 1 1 10 10 LYS CB C 13 32.91 0.40 . 1 . . . . 10 LYS CB . 17766 1 106 . 1 1 10 10 LYS N N 15 121.9 0.40 . 1 . . . . 10 LYS N . 17766 1 107 . 1 1 11 11 ALA H H 1 8.12 0.02 . 1 . . . . 11 ALA H . 17766 1 108 . 1 1 11 11 ALA HA H 1 3.94 0.40 . 1 . . . . 11 ALA HA . 17766 1 109 . 1 1 11 11 ALA HB1 H 1 1.23 0.02 . 1 . . . . 11 ALA HB . 17766 1 110 . 1 1 11 11 ALA HB2 H 1 1.23 0.02 . 1 . . . . 11 ALA HB . 17766 1 111 . 1 1 11 11 ALA HB3 H 1 1.23 0.02 . 1 . . . . 11 ALA HB . 17766 1 112 . 1 1 11 11 ALA C C 13 175.6 0.40 . 1 . . . . 11 ALA C . 17766 1 113 . 1 1 11 11 ALA CA C 13 52.60 0.40 . 1 . . . . 11 ALA CA . 17766 1 114 . 1 1 11 11 ALA CB C 13 18.12 0.40 . 1 . . . . 11 ALA CB . 17766 1 115 . 1 1 11 11 ALA N N 15 124.9 0.40 . 1 . . . . 11 ALA N . 17766 1 116 . 1 1 12 12 LEU H H 1 8.12 0.02 . 1 . . . . 12 LEU H . 17766 1 117 . 1 1 12 12 LEU HA H 1 4.26 0.40 . 1 . . . . 12 LEU HA . 17766 1 118 . 1 1 12 12 LEU HB2 H 1 1.48 0.02 . 1 . . . . 12 LEU HB2 . 17766 1 119 . 1 1 12 12 LEU HB3 H 1 1.48 0.02 . 1 . . . . 12 LEU HB3 . 17766 1 120 . 1 1 12 12 LEU HG H 1 1.48 0.02 . 1 . . . . 12 LEU HG . 17766 1 121 . 1 1 12 12 LEU C C 13 174.6 0.40 . 1 . . . . 12 LEU C . 17766 1 122 . 1 1 12 12 LEU CA C 13 55.50 0.40 . 1 . . . . 12 LEU CA . 17766 1 123 . 1 1 12 12 LEU CB C 13 41.90 0.40 . 1 . . . . 12 LEU CB . 17766 1 124 . 1 1 12 12 LEU N N 15 121.2 0.40 . 1 . . . . 12 LEU N . 17766 1 125 . 1 1 13 13 GLU H H 1 8.23 0.02 . 1 . . . . 13 GLU H . 17766 1 126 . 1 1 13 13 GLU HA H 1 4.15 0.40 . 1 . . . . 13 GLU HA . 17766 1 127 . 1 1 13 13 GLU HB2 H 1 2.10 0.02 . 1 . . . . 13 GLU HB2 . 17766 1 128 . 1 1 13 13 GLU HB3 H 1 2.08 0.02 . 1 . . . . 13 GLU HB3 . 17766 1 129 . 1 1 13 13 GLU HG2 H 1 2.14 0.02 . 1 . . . . 13 GLU HG2 . 17766 1 130 . 1 1 13 13 GLU HG3 H 1 2.14 0.02 . 1 . . . . 13 GLU HG3 . 17766 1 131 . 1 1 13 13 GLU C C 13 174.1 0.40 . 1 . . . . 13 GLU C . 17766 1 132 . 1 1 13 13 GLU CA C 13 56.60 0.40 . 1 . . . . 13 GLU CA . 17766 1 133 . 1 1 13 13 GLU CB C 13 28.39 0.40 . 1 . . . . 13 GLU CB . 17766 1 134 . 1 1 13 13 GLU N N 15 123.4 0.40 . 1 . . . . 13 GLU N . 17766 1 135 . 1 1 14 14 ARG H H 1 8.23 0.02 . 1 . . . . 14 ARG H . 17766 1 136 . 1 1 14 14 ARG HA H 1 4.29 0.40 . 1 . . . . 14 ARG HA . 17766 1 137 . 1 1 14 14 ARG HB2 H 1 1.73 0.02 . 1 . . . . 14 ARG HB2 . 17766 1 138 . 1 1 14 14 ARG HB3 H 1 1.74 0.02 . 1 . . . . 14 ARG HB3 . 17766 1 139 . 1 1 14 14 ARG HG2 H 1 1.53 0.02 . 1 . . . . 14 ARG HG2 . 17766 1 140 . 1 1 14 14 ARG HG3 H 1 1.54 0.02 . 1 . . . . 14 ARG HG3 . 17766 1 141 . 1 1 14 14 ARG HD2 H 1 3.08 0.02 . 1 . . . . 14 ARG HD2 . 17766 1 142 . 1 1 14 14 ARG HD3 H 1 3.09 0.02 . 1 . . . . 14 ARG HD3 . 17766 1 143 . 1 1 14 14 ARG C C 13 173.6 0.40 . 1 . . . . 14 ARG C . 17766 1 144 . 1 1 14 14 ARG CA C 13 56.00 0.40 . 1 . . . . 14 ARG CA . 17766 1 145 . 1 1 14 14 ARG CB C 13 29.33 0.40 . 1 . . . . 14 ARG CB . 17766 1 146 . 1 1 14 14 ARG N N 15 122.1 0.40 . 1 . . . . 14 ARG N . 17766 1 147 . 1 1 15 15 ASP H H 1 8.38 0.02 . 1 . . . . 15 ASP H . 17766 1 148 . 1 1 15 15 ASP HA H 1 4.48 0.40 . 1 . . . . 15 ASP HA . 17766 1 149 . 1 1 15 15 ASP HB2 H 1 2.67 0.02 . 1 . . . . 15 ASP HB2 . 17766 1 150 . 1 1 15 15 ASP HB3 H 1 2.67 0.02 . 1 . . . . 15 ASP HB3 . 17766 1 151 . 1 1 15 15 ASP C C 13 173.7 0.40 . 1 . . . . 15 ASP C . 17766 1 152 . 1 1 15 15 ASP CA C 13 54.20 0.40 . 1 . . . . 15 ASP CA . 17766 1 153 . 1 1 15 15 ASP CB C 13 39.74 0.40 . 1 . . . . 15 ASP CB . 17766 1 154 . 1 1 15 15 ASP N N 15 125.5 0.40 . 1 . . . . 15 ASP N . 17766 1 155 . 1 1 16 16 VAL H H 1 7.92 0.02 . 1 . . . . 16 VAL H . 17766 1 156 . 1 1 16 16 VAL HA H 1 3.93 0.40 . 1 . . . . 16 VAL HA . 17766 1 157 . 1 1 16 16 VAL HB H 1 1.98 0.02 . 1 . . . . 16 VAL HB . 17766 1 158 . 1 1 16 16 VAL CA C 13 62.90 0.40 . 1 . . . . 16 VAL CA . 17766 1 159 . 1 1 16 16 VAL CB C 13 31.50 0.40 . 1 . . . . 16 VAL CB . 17766 1 160 . 1 1 16 16 VAL N N 15 119.3 0.40 . 1 . . . . 16 VAL N . 17766 1 161 . 1 1 17 17 ASP H H 1 8.21 0.02 . 1 . . . . 17 ASP H . 17766 1 162 . 1 1 17 17 ASP HA H 1 4.48 0.40 . 1 . . . . 17 ASP HA . 17766 1 163 . 1 1 17 17 ASP HB2 H 1 2.61 0.02 . 1 . . . . 17 ASP HB2 . 17766 1 164 . 1 1 17 17 ASP HB3 H 1 2.52 0.02 . 1 . . . . 17 ASP HB3 . 17766 1 165 . 1 1 17 17 ASP C C 13 173.7 0.40 . 1 . . . . 17 ASP C . 17766 1 166 . 1 1 17 17 ASP CA C 13 54.18 0.40 . 1 . . . . 17 ASP CA . 17766 1 167 . 1 1 17 17 ASP CB C 13 40.00 0.40 . 1 . . . . 17 ASP CB . 17766 1 168 . 1 1 17 17 ASP N N 15 122.6 0.40 . 1 . . . . 17 ASP N . 17766 1 169 . 1 1 18 18 LEU H H 1 7.94 0.02 . 1 . . . . 18 LEU H . 17766 1 170 . 1 1 18 18 LEU HA H 1 4.09 0.40 . 1 . . . . 18 LEU HA . 17766 1 171 . 1 1 18 18 LEU HB2 H 1 1.48 0.02 . 1 . . . . 18 LEU HB2 . 17766 1 172 . 1 1 18 18 LEU HB3 H 1 1.48 0.02 . 1 . . . . 18 LEU HB3 . 17766 1 173 . 1 1 18 18 LEU HG H 1 1.48 0.02 . 1 . . . . 18 LEU HG . 17766 1 174 . 1 1 18 18 LEU C C 13 174.2 0.40 . 1 . . . . 18 LEU C . 17766 1 175 . 1 1 18 18 LEU CA C 13 55.11 0.40 . 1 . . . . 18 LEU CA . 17766 1 176 . 1 1 18 18 LEU CB C 13 40.89 0.40 . 1 . . . . 18 LEU CB . 17766 1 177 . 1 1 18 18 LEU N N 15 122.5 0.40 . 1 . . . . 18 LEU N . 17766 1 178 . 1 1 19 19 ILE H H 1 7.82 0.02 . 1 . . . . 19 ILE H . 17766 1 179 . 1 1 19 19 ILE HA H 1 3.90 0.40 . 1 . . . . 19 ILE HA . 17766 1 180 . 1 1 19 19 ILE HB H 1 1.82 0.02 . 1 . . . . 19 ILE HB . 17766 1 181 . 1 1 19 19 ILE HG12 H 1 1.14 0.02 . 1 . . . . 19 ILE HG12 . 17766 1 182 . 1 1 19 19 ILE HG13 H 1 1.06 0.02 . 1 . . . . 19 ILE HG13 . 17766 1 183 . 1 1 19 19 ILE C C 13 174.3 0.40 . 1 . . . . 19 ILE C . 17766 1 184 . 1 1 19 19 ILE CA C 13 62.14 0.40 . 1 . . . . 19 ILE CA . 17766 1 185 . 1 1 19 19 ILE CB C 13 37.95 0.40 . 1 . . . . 19 ILE CB . 17766 1 186 . 1 1 19 19 ILE N N 15 120.9 0.40 . 1 . . . . 19 ILE N . 17766 1 187 . 1 1 20 20 GLU H H 1 8.32 0.02 . 1 . . . . 20 GLU H . 17766 1 188 . 1 1 20 20 GLU HA H 1 4.10 0.40 . 1 . . . . 20 GLU HA . 17766 1 189 . 1 1 20 20 GLU HB2 H 1 2.13 0.02 . 1 . . . . 20 GLU HB2 . 17766 1 190 . 1 1 20 20 GLU HB3 H 1 2.13 0.02 . 1 . . . . 20 GLU HB3 . 17766 1 191 . 1 1 20 20 GLU C C 13 174.4 0.40 . 1 . . . . 20 GLU C . 17766 1 192 . 1 1 20 20 GLU CA C 13 56.40 0.40 . 1 . . . . 20 GLU CA . 17766 1 193 . 1 1 20 20 GLU CB C 13 28.67 0.40 . 1 . . . . 20 GLU CB . 17766 1 194 . 1 1 20 20 GLU N N 15 123.5 0.40 . 1 . . . . 20 GLU N . 17766 1 195 . 1 1 21 21 SER H H 1 8.13 0.02 . 1 . . . . 21 SER H . 17766 1 196 . 1 1 21 21 SER HA H 1 4.27 0.40 . 1 . . . . 21 SER HA . 17766 1 197 . 1 1 21 21 SER HB2 H 1 3.79 0.02 . 1 . . . . 21 SER HB2 . 17766 1 198 . 1 1 21 21 SER HB3 H 1 3.79 0.02 . 1 . . . . 21 SER HB3 . 17766 1 199 . 1 1 21 21 SER CA C 13 58.16 0.40 . 1 . . . . 21 SER CA . 17766 1 200 . 1 1 21 21 SER CB C 13 62.56 0.40 . 1 . . . . 21 SER CB . 17766 1 201 . 1 1 21 21 SER N N 15 115.7 0.40 . 1 . . . . 21 SER N . 17766 1 202 . 1 1 22 22 MET H H 1 8.10 0.02 . 1 . . . . 22 MET H . 17766 1 203 . 1 1 22 22 MET HA H 1 4.47 0.02 . 1 . . . . 22 MET HA . 17766 1 204 . 1 1 22 22 MET HB2 H 1 2.06 0.02 . 1 . . . . 22 MET HB2 . 17766 1 205 . 1 1 22 22 MET HB3 H 1 2.06 0.02 . 1 . . . . 22 MET HB3 . 17766 1 206 . 1 1 22 22 MET HG2 H 1 2.55 0.02 . 1 . . . . 22 MET HG2 . 17766 1 207 . 1 1 22 22 MET HG3 H 1 2.55 0.02 . 1 . . . . 22 MET HG3 . 17766 1 208 . 1 1 22 22 MET CA C 13 55.84 0.40 . 1 . . . . 22 MET CA . 17766 1 209 . 1 1 22 22 MET CB C 13 31.72 0.40 . 1 . . . . 22 MET CB . 17766 1 210 . 1 1 22 22 MET N N 15 121.6 0.40 . 1 . . . . 22 MET N . 17766 1 211 . 1 1 23 23 LYS H H 1 8.14 0.02 . 1 . . . . 23 LYS H . 17766 1 212 . 1 1 23 23 LYS HA H 1 4.13 0.40 . 1 . . . . 23 LYS HA . 17766 1 213 . 1 1 23 23 LYS HB2 H 1 1.70 0.02 . 1 . . . . 23 LYS HB2 . 17766 1 214 . 1 1 23 23 LYS HB3 H 1 1.70 0.02 . 1 . . . . 23 LYS HB3 . 17766 1 215 . 1 1 23 23 LYS HG2 H 1 1.29 0.02 . 1 . . . . 23 LYS HG2 . 17766 1 216 . 1 1 23 23 LYS HG3 H 1 1.29 0.02 . 1 . . . . 23 LYS HG3 . 17766 1 217 . 1 1 23 23 LYS HD2 H 1 1.54 0.02 . 1 . . . . 23 LYS HD2 . 17766 1 218 . 1 1 23 23 LYS HD3 H 1 1.54 0.02 . 1 . . . . 23 LYS HD3 . 17766 1 219 . 1 1 23 23 LYS HE2 H 1 2.86 0.02 . 1 . . . . 23 LYS HE2 . 17766 1 220 . 1 1 23 23 LYS HE3 H 1 2.86 0.02 . 1 . . . . 23 LYS HE3 . 17766 1 221 . 1 1 23 23 LYS C C 13 173.6 0.40 . 1 . . . . 23 LYS C . 17766 1 222 . 1 1 23 23 LYS CA C 13 56.36 0.40 . 1 . . . . 23 LYS CA . 17766 1 223 . 1 1 23 23 LYS CB C 13 31.97 0.40 . 1 . . . . 23 LYS CB . 17766 1 224 . 1 1 23 23 LYS N N 15 120.4 0.40 . 1 . . . . 23 LYS N . 17766 1 225 . 1 1 24 24 ASP H H 1 8.22 0.02 . 1 . . . . 24 ASP H . 17766 1 226 . 1 1 24 24 ASP HA H 1 4.70 0.40 . 1 . . . . 24 ASP HA . 17766 1 227 . 1 1 24 24 ASP HB2 H 1 2.76 0.02 . 1 . . . . 24 ASP HB2 . 17766 1 228 . 1 1 24 24 ASP HB3 H 1 2.58 0.02 . 1 . . . . 24 ASP HB3 . 17766 1 229 . 1 1 24 24 ASP C C 13 173.4 0.40 . 1 . . . . 24 ASP C . 17766 1 230 . 1 1 24 24 ASP CA C 13 53.90 0.40 . 1 . . . . 24 ASP CA . 17766 1 231 . 1 1 24 24 ASP CB C 13 39.86 0.40 . 1 . . . . 24 ASP CB . 17766 1 232 . 1 1 24 24 ASP N N 15 120.3 0.40 . 1 . . . . 24 ASP N . 17766 1 233 . 1 1 25 25 ASP H H 1 7.89 0.02 . 1 . . . . 25 ASP H . 17766 1 234 . 1 1 25 25 ASP HA H 1 4.40 0.40 . 1 . . . . 25 ASP HA . 17766 1 235 . 1 1 25 25 ASP HB2 H 1 2.50 0.02 . 1 . . . . 25 ASP HB2 . 17766 1 236 . 1 1 25 25 ASP HB3 H 1 2.42 0.02 . 1 . . . . 25 ASP HB3 . 17766 1 237 . 1 1 25 25 ASP C C 13 173.4 0.40 . 1 . . . . 25 ASP C . 17766 1 238 . 1 1 25 25 ASP CA C 13 53.90 0.40 . 1 . . . . 25 ASP CA . 17766 1 239 . 1 1 25 25 ASP CB C 13 40.92 0.40 . 1 . . . . 25 ASP CB . 17766 1 240 . 1 1 25 25 ASP N N 15 125.9 0.40 . 1 . . . . 25 ASP N . 17766 1 241 . 1 1 26 26 ILE H H 1 7.87 0.02 . 1 . . . . 26 ILE H . 17766 1 242 . 1 1 26 26 ILE HA H 1 4.01 0.40 . 1 . . . . 26 ILE HA . 17766 1 243 . 1 1 26 26 ILE HB H 1 1.74 0.02 . 1 . . . . 26 ILE HB . 17766 1 244 . 1 1 26 26 ILE HG12 H 1 1.33 0.40 . 1 . . . . 26 ILE HG12 . 17766 1 245 . 1 1 26 26 ILE HG13 H 1 1.06 0.02 . 1 . . . . 26 ILE HG13 . 17766 1 246 . 1 1 26 26 ILE C C 13 173.1 0.40 . 1 . . . . 26 ILE C . 17766 1 247 . 1 1 26 26 ILE CA C 13 62.11 0.40 . 1 . . . . 26 ILE CA . 17766 1 248 . 1 1 26 26 ILE CB C 13 38.71 0.40 . 1 . . . . 26 ILE CB . 17766 1 249 . 1 1 26 26 ILE N N 15 119.5 0.40 . 1 . . . . 26 ILE N . 17766 1 250 . 1 1 27 27 MET H H 1 8.43 0.02 . 1 . . . . 27 MET H . 17766 1 251 . 1 1 27 27 MET HA H 1 4.26 0.40 . 1 . . . . 27 MET HA . 17766 1 252 . 1 1 27 27 MET HB2 H 1 1.91 0.02 . 1 . . . . 27 MET HB2 . 17766 1 253 . 1 1 27 27 MET HB3 H 1 1.94 0.02 . 1 . . . . 27 MET HB3 . 17766 1 254 . 1 1 27 27 MET HG2 H 1 2.12 0.02 . 1 . . . . 27 MET HG2 . 17766 1 255 . 1 1 27 27 MET HG3 H 1 2.12 0.02 . 1 . . . . 27 MET HG3 . 17766 1 256 . 1 1 27 27 MET CA C 13 55.84 0.40 . 1 . . . . 27 MET CA . 17766 1 257 . 1 1 27 27 MET CB C 13 31.72 0.40 . 1 . . . . 27 MET CB . 17766 1 258 . 1 1 27 27 MET N N 15 122.5 0.40 . 1 . . . . 27 MET N . 17766 1 259 . 1 1 28 28 ARG H H 1 7.89 0.02 . 1 . . . . 28 ARG H . 17766 1 260 . 1 1 28 28 ARG HA H 1 4.27 0.40 . 1 . . . . 28 ARG HA . 17766 1 261 . 1 1 28 28 ARG C C 13 173.6 0.40 . 1 . . . . 28 ARG C . 17766 1 262 . 1 1 28 28 ARG CA C 13 55.60 0.40 . 1 . . . . 28 ARG CA . 17766 1 263 . 1 1 28 28 ARG CB C 13 31.12 0.40 . 1 . . . . 28 ARG CB . 17766 1 264 . 1 1 28 28 ARG N N 15 127.0 0.40 . 1 . . . . 28 ARG N . 17766 1 265 . 1 1 29 29 GLU H H 1 8.33 0.02 . 1 . . . . 29 GLU H . 17766 1 266 . 1 1 29 29 GLU HA H 1 4.01 0.40 . 1 . . . . 29 GLU HA . 17766 1 267 . 1 1 29 29 GLU HB2 H 1 2.18 0.02 . 1 . . . . 29 GLU HB2 . 17766 1 268 . 1 1 29 29 GLU HB3 H 1 2.18 0.40 . 1 . . . . 29 GLU HB3 . 17766 1 269 . 1 1 29 29 GLU HG2 H 1 2.18 0.02 . 1 . . . . 29 GLU HG2 . 17766 1 270 . 1 1 29 29 GLU HG3 H 1 2.18 0.02 . 1 . . . . 29 GLU HG3 . 17766 1 271 . 1 1 29 29 GLU C C 13 174.4 0.40 . 1 . . . . 29 GLU C . 17766 1 272 . 1 1 29 29 GLU CA C 13 55.86 0.40 . 1 . . . . 29 GLU CA . 17766 1 273 . 1 1 29 29 GLU CB C 13 29.02 0.40 . 1 . . . . 29 GLU CB . 17766 1 274 . 1 1 29 29 GLU N N 15 122.0 0.40 . 1 . . . . 29 GLU N . 17766 1 275 . 1 1 30 30 TYR H H 1 8.14 0.02 . 1 . . . . 30 TYR H . 17766 1 276 . 1 1 30 30 TYR HA H 1 4.42 0.40 . 1 . . . . 30 TYR HA . 17766 1 277 . 1 1 30 30 TYR HB2 H 1 3.00 0.02 . 1 . . . . 30 TYR HB2 . 17766 1 278 . 1 1 30 30 TYR HB3 H 1 2.84 0.02 . 1 . . . . 30 TYR HB3 . 17766 1 279 . 1 1 30 30 TYR C C 13 173.8 0.40 . 1 . . . . 30 TYR C . 17766 1 280 . 1 1 30 30 TYR CA C 13 58.38 0.40 . 1 . . . . 30 TYR CA . 17766 1 281 . 1 1 30 30 TYR CB C 13 38.77 0.40 . 1 . . . . 30 TYR CB . 17766 1 282 . 1 1 30 30 TYR N N 15 120.5 0.40 . 1 . . . . 30 TYR N . 17766 1 283 . 1 1 31 31 GLY H H 1 8.16 0.02 . 1 . . . . 31 GLY H . 17766 1 284 . 1 1 31 31 GLY HA2 H 1 3.82 0.40 . 1 . . . . 31 GLY HA2 . 17766 1 285 . 1 1 31 31 GLY HA3 H 1 3.82 0.02 . 1 . . . . 31 GLY HA3 . 17766 1 286 . 1 1 31 31 GLY CA C 13 44.95 0.40 . 1 . . . . 31 GLY CA . 17766 1 287 . 1 1 31 31 GLY N N 15 110.0 0.40 . 1 . . . . 31 GLY N . 17766 1 288 . 1 1 32 32 GLU H H 1 8.18 0.02 . 1 . . . . 32 GLU H . 17766 1 289 . 1 1 32 32 GLU HA H 1 4.02 0.40 . 1 . . . . 32 GLU HA . 17766 1 290 . 1 1 32 32 GLU HB2 H 1 2.16 0.02 . 1 . . . . 32 GLU HB2 . 17766 1 291 . 1 1 32 32 GLU HB3 H 1 2.16 0.02 . 1 . . . . 32 GLU HB3 . 17766 1 292 . 1 1 32 32 GLU HG2 H 1 2.15 0.02 . 1 . . . . 32 GLU HG2 . 17766 1 293 . 1 1 32 32 GLU HG3 H 1 2.15 0.02 . 1 . . . . 32 GLU HG3 . 17766 1 294 . 1 1 32 32 GLU C C 13 174.4 0.40 . 1 . . . . 32 GLU C . 17766 1 295 . 1 1 32 32 GLU CA C 13 56.14 0.40 . 1 . . . . 32 GLU CA . 17766 1 296 . 1 1 32 32 GLU CB C 13 29.07 0.40 . 1 . . . . 32 GLU CB . 17766 1 297 . 1 1 32 32 GLU N N 15 120.7 0.40 . 1 . . . . 32 GLU N . 17766 1 298 . 1 1 33 33 LYS H H 1 8.27 0.02 . 1 . . . . 33 LYS H . 17766 1 299 . 1 1 33 33 LYS HA H 1 4.14 0.40 . 1 . . . . 33 LYS HA . 17766 1 300 . 1 1 33 33 LYS HB2 H 1 1.72 0.02 . 1 . . . . 33 LYS HB2 . 17766 1 301 . 1 1 33 33 LYS HB3 H 1 1.72 0.02 . 1 . . . . 33 LYS HB3 . 17766 1 302 . 1 1 33 33 LYS HG2 H 1 1.33 0.02 . 1 . . . . 33 LYS HG2 . 17766 1 303 . 1 1 33 33 LYS HG3 H 1 1.33 0.02 . 1 . . . . 33 LYS HG3 . 17766 1 304 . 1 1 33 33 LYS HD2 H 1 1.56 0.02 . 1 . . . . 33 LYS HD2 . 17766 1 305 . 1 1 33 33 LYS HD3 H 1 1.56 0.02 . 1 . . . . 33 LYS HD3 . 17766 1 306 . 1 1 33 33 LYS HE2 H 1 2.89 0.02 . 1 . . . . 33 LYS HE2 . 17766 1 307 . 1 1 33 33 LYS HE3 H 1 2.89 0.02 . 1 . . . . 33 LYS HE3 . 17766 1 308 . 1 1 33 33 LYS C C 13 173.3 0.40 . 1 . . . . 33 LYS C . 17766 1 309 . 1 1 33 33 LYS CA C 13 56.58 0.40 . 1 . . . . 33 LYS CA . 17766 1 310 . 1 1 33 33 LYS CB C 13 31.81 0.40 . 1 . . . . 33 LYS CB . 17766 1 311 . 1 1 33 33 LYS N N 15 125.5 0.40 . 1 . . . . 33 LYS N . 17766 1 312 . 1 1 34 34 ALA H H 1 8.08 0.02 . 1 . . . . 34 ALA H . 17766 1 313 . 1 1 34 34 ALA HA H 1 4.14 0.40 . 1 . . . . 34 ALA HA . 17766 1 314 . 1 1 34 34 ALA HB1 H 1 1.23 0.02 . 1 . . . . 34 ALA HB . 17766 1 315 . 1 1 34 34 ALA HB2 H 1 1.23 0.02 . 1 . . . . 34 ALA HB . 17766 1 316 . 1 1 34 34 ALA HB3 H 1 1.23 0.02 . 1 . . . . 34 ALA HB . 17766 1 317 . 1 1 34 34 ALA C C 13 174.9 0.40 . 1 . . . . 34 ALA C . 17766 1 318 . 1 1 34 34 ALA CA C 13 52.00 0.40 . 1 . . . . 34 ALA CA . 17766 1 319 . 1 1 34 34 ALA CB C 13 18.15 0.40 . 1 . . . . 34 ALA CB . 17766 1 320 . 1 1 34 34 ALA N N 15 124.1 0.40 . 1 . . . . 34 ALA N . 17766 1 321 . 1 1 35 35 GLN H H 1 8.16 0.02 . 1 . . . . 35 GLN H . 17766 1 322 . 1 1 35 35 GLN HA H 1 4.16 0.40 . 1 . . . . 35 GLN HA . 17766 1 323 . 1 1 35 35 GLN HB2 H 1 1.82 0.02 . 1 . . . . 35 GLN HB2 . 17766 1 324 . 1 1 35 35 GLN HB3 H 1 1.82 0.02 . 1 . . . . 35 GLN HB3 . 17766 1 325 . 1 1 35 35 GLN HG2 H 1 2.23 0.02 . 1 . . . . 35 GLN HG2 . 17766 1 326 . 1 1 35 35 GLN HG3 H 1 2.23 0.02 . 1 . . . . 35 GLN HG3 . 17766 1 327 . 1 1 35 35 GLN C C 13 172.4 0.40 . 1 . . . . 35 GLN C . 17766 1 328 . 1 1 35 35 GLN CA C 13 55.50 0.40 . 1 . . . . 35 GLN CA . 17766 1 329 . 1 1 35 35 GLN CB C 13 28.16 0.40 . 1 . . . . 35 GLN CB . 17766 1 330 . 1 1 35 35 GLN N N 15 119.3 0.40 . 1 . . . . 35 GLN N . 17766 1 331 . 1 1 36 36 ARG H H 1 8.18 0.02 . 1 . . . . 36 ARG H . 17766 1 332 . 1 1 36 36 ARG HA H 1 4.22 0.40 . 1 . . . . 36 ARG HA . 17766 1 333 . 1 1 36 36 ARG HB2 H 1 1.68 0.02 . 1 . . . . 36 ARG HB2 . 17766 1 334 . 1 1 36 36 ARG HB3 H 1 1.68 0.02 . 1 . . . . 36 ARG HB3 . 17766 1 335 . 1 1 36 36 ARG HG2 H 1 1.52 0.02 . 1 . . . . 36 ARG HG2 . 17766 1 336 . 1 1 36 36 ARG HG3 H 1 1.52 0.02 . 1 . . . . 36 ARG HG3 . 17766 1 337 . 1 1 36 36 ARG HD2 H 1 3.07 0.02 . 1 . . . . 36 ARG HD2 . 17766 1 338 . 1 1 36 36 ARG HD3 H 1 3.07 0.02 . 1 . . . . 36 ARG HD3 . 17766 1 339 . 1 1 36 36 ARG C C 13 172.7 0.40 . 1 . . . . 36 ARG C . 17766 1 340 . 1 1 36 36 ARG CA C 13 56.03 0.40 . 1 . . . . 36 ARG CA . 17766 1 341 . 1 1 36 36 ARG CB C 13 29.19 0.40 . 1 . . . . 36 ARG CB . 17766 1 342 . 1 1 36 36 ARG N N 15 122.2 0.40 . 1 . . . . 36 ARG N . 17766 1 343 . 1 1 37 37 ALA H H 1 8.28 0.02 . 1 . . . . 37 ALA H . 17766 1 344 . 1 1 37 37 ALA HA H 1 4.00 0.40 . 1 . . . . 37 ALA HA . 17766 1 345 . 1 1 37 37 ALA HB1 H 1 1.23 0.02 . 1 . . . . 37 ALA HB . 17766 1 346 . 1 1 37 37 ALA HB2 H 1 1.23 0.02 . 1 . . . . 37 ALA HB . 17766 1 347 . 1 1 37 37 ALA HB3 H 1 1.23 0.02 . 1 . . . . 37 ALA HB . 17766 1 348 . 1 1 37 37 ALA C C 13 175.2 0.02 . 1 . . . . 37 ALA C . 17766 1 349 . 1 1 37 37 ALA CA C 13 52.63 0.40 . 1 . . . . 37 ALA CA . 17766 1 350 . 1 1 37 37 ALA CB C 13 19.07 0.40 . 1 . . . . 37 ALA CB . 17766 1 351 . 1 1 37 37 ALA N N 15 126.9 0.40 . 1 . . . . 37 ALA N . 17766 1 352 . 1 1 38 38 PRO C C 13 174.1 0.40 . 1 . . . . 38 PRO C . 17766 1 353 . 1 1 38 38 PRO CA C 13 62.50 0.40 . 1 . . . . 38 PRO CA . 17766 1 354 . 1 1 38 38 PRO CB C 13 34.22 0.40 . 1 . . . . 38 PRO CB . 17766 1 355 . 1 1 39 39 LEU H H 1 8.43 0.02 . 1 . . . . 39 LEU H . 17766 1 356 . 1 1 39 39 LEU HA H 1 4.13 0.40 . 1 . . . . 39 LEU HA . 17766 1 357 . 1 1 39 39 LEU HB2 H 1 1.50 0.02 . 1 . . . . 39 LEU HB2 . 17766 1 358 . 1 1 39 39 LEU HB3 H 1 1.50 0.02 . 1 . . . . 39 LEU HB3 . 17766 1 359 . 1 1 39 39 LEU HG H 1 1.49 0.02 . 1 . . . . 39 LEU HG . 17766 1 360 . 1 1 39 39 LEU HD11 H 1 0.77 0.02 . 1 . . . . 39 LEU HD1 . 17766 1 361 . 1 1 39 39 LEU HD12 H 1 0.77 0.02 . 1 . . . . 39 LEU HD1 . 17766 1 362 . 1 1 39 39 LEU HD13 H 1 0.77 0.02 . 1 . . . . 39 LEU HD1 . 17766 1 363 . 1 1 39 39 LEU HD21 H 1 0.77 0.02 . 1 . . . . 39 LEU HD2 . 17766 1 364 . 1 1 39 39 LEU HD22 H 1 0.77 0.02 . 1 . . . . 39 LEU HD2 . 17766 1 365 . 1 1 39 39 LEU HD23 H 1 0.77 0.02 . 1 . . . . 39 LEU HD2 . 17766 1 366 . 1 1 39 39 LEU C C 13 175.2 0.40 . 1 . . . . 39 LEU C . 17766 1 367 . 1 1 39 39 LEU CA C 13 55.46 0.40 . 1 . . . . 39 LEU CA . 17766 1 368 . 1 1 39 39 LEU CB C 13 41.27 0.40 . 1 . . . . 39 LEU CB . 17766 1 369 . 1 1 39 39 LEU N N 15 123.2 0.40 . 1 . . . . 39 LEU N . 17766 1 370 . 1 1 40 40 GLU H H 1 8.28 0.02 . 1 . . . . 40 GLU H . 17766 1 371 . 1 1 40 40 GLU HA H 1 4.07 0.40 . 1 . . . . 40 GLU HA . 17766 1 372 . 1 1 40 40 GLU HB2 H 1 1.88 0.02 . 1 . . . . 40 GLU HB2 . 17766 1 373 . 1 1 40 40 GLU HB3 H 1 1.88 0.02 . 1 . . . . 40 GLU HB3 . 17766 1 374 . 1 1 40 40 GLU HG2 H 1 2.16 0.02 . 1 . . . . 40 GLU HG2 . 17766 1 375 . 1 1 40 40 GLU HG3 H 1 2.16 0.02 . 1 . . . . 40 GLU HG3 . 17766 1 376 . 1 1 40 40 GLU C C 13 174.1 0.40 . 1 . . . . 40 GLU C . 17766 1 377 . 1 1 40 40 GLU CA C 13 57.71 0.40 . 1 . . . . 40 GLU CA . 17766 1 378 . 1 1 40 40 GLU CB C 13 28.29 0.40 . 1 . . . . 40 GLU CB . 17766 1 379 . 1 1 40 40 GLU N N 15 120.0 0.40 . 1 . . . . 40 GLU N . 17766 1 380 . 1 1 41 41 GLU H H 1 8.13 0.02 . 1 . . . . 41 GLU H . 17766 1 381 . 1 1 41 41 GLU HA H 1 4.16 0.40 . 1 . . . . 41 GLU HA . 17766 1 382 . 1 1 41 41 GLU HB2 H 1 2.13 0.02 . 1 . . . . 41 GLU HB2 . 17766 1 383 . 1 1 41 41 GLU HB3 H 1 2.13 0.02 . 1 . . . . 41 GLU HB3 . 17766 1 384 . 1 1 41 41 GLU HG2 H 1 2.13 0.02 . 1 . . . . 41 GLU HG2 . 17766 1 385 . 1 1 41 41 GLU HG3 H 1 2.13 0.02 . 1 . . . . 41 GLU HG3 . 17766 1 386 . 1 1 41 41 GLU C C 13 173.3 0.40 . 1 . . . . 41 GLU C . 17766 1 387 . 1 1 41 41 GLU CA C 13 54.80 0.40 . 1 . . . . 41 GLU CA . 17766 1 388 . 1 1 41 41 GLU CB C 13 29.51 0.40 . 1 . . . . 41 GLU CB . 17766 1 389 . 1 1 41 41 GLU N N 15 120.2 0.40 . 1 . . . . 41 GLU N . 17766 1 390 . 1 1 42 42 ILE H H 1 8.10 0.02 . 1 . . . . 42 ILE H . 17766 1 391 . 1 1 42 42 ILE HA H 1 4.09 0.40 . 1 . . . . 42 ILE HA . 17766 1 392 . 1 1 42 42 ILE HB H 1 1.99 0.02 . 1 . . . . 42 ILE HB . 17766 1 393 . 1 1 42 42 ILE HG12 H 1 1.41 0.02 . 1 . . . . 42 ILE HG12 . 17766 1 394 . 1 1 42 42 ILE HG13 H 1 1.40 0.02 . 1 . . . . 42 ILE HG13 . 17766 1 395 . 1 1 42 42 ILE HG21 H 1 0.82 0.02 . 1 . . . . 42 ILE HD . 17766 1 396 . 1 1 42 42 ILE HG22 H 1 0.82 0.02 . 1 . . . . 42 ILE HD . 17766 1 397 . 1 1 42 42 ILE HG23 H 1 0.82 0.02 . 1 . . . . 42 ILE HD . 17766 1 398 . 1 1 42 42 ILE C C 13 173.4 0.40 . 1 . . . . 42 ILE C . 17766 1 399 . 1 1 42 42 ILE CA C 13 60.40 0.40 . 1 . . . . 42 ILE CA . 17766 1 400 . 1 1 42 42 ILE CB C 13 37.41 0.40 . 1 . . . . 42 ILE CB . 17766 1 401 . 1 1 42 42 ILE N N 15 123.0 0.40 . 1 . . . . 42 ILE N . 17766 1 402 . 1 1 43 43 VAL H H 1 7.90 0.02 . 1 . . . . 43 VAL H . 17766 1 403 . 1 1 43 43 VAL HA H 1 3.98 0.40 . 1 . . . . 43 VAL HA . 17766 1 404 . 1 1 43 43 VAL HB H 1 1.91 0.02 . 1 . . . . 43 VAL HB . 17766 1 405 . 1 1 43 43 VAL HG11 H 1 0.77 0.02 . 1 . . . . 43 VAL HG1 . 17766 1 406 . 1 1 43 43 VAL HG12 H 1 0.77 0.02 . 1 . . . . 43 VAL HG1 . 17766 1 407 . 1 1 43 43 VAL HG13 H 1 0.77 0.02 . 1 . . . . 43 VAL HG1 . 17766 1 408 . 1 1 43 43 VAL HG21 H 1 0.78 0.02 . 1 . . . . 43 VAL HG2 . 17766 1 409 . 1 1 43 43 VAL HG22 H 1 0.78 0.02 . 1 . . . . 43 VAL HG2 . 17766 1 410 . 1 1 43 43 VAL HG23 H 1 0.78 0.02 . 1 . . . . 43 VAL HG2 . 17766 1 411 . 1 1 43 43 VAL C C 13 174.2 0.40 . 1 . . . . 43 VAL C . 17766 1 412 . 1 1 43 43 VAL CA C 13 61.00 0.40 . 1 . . . . 43 VAL CA . 17766 1 413 . 1 1 43 43 VAL CB C 13 31.53 0.40 . 1 . . . . 43 VAL CB . 17766 1 414 . 1 1 43 43 VAL N N 15 125.7 0.40 . 1 . . . . 43 VAL N . 17766 1 415 . 1 1 44 44 ILE H H 1 8.27 0.02 . 1 . . . . 44 ILE H . 17766 1 416 . 1 1 44 44 ILE HA H 1 3.98 0.40 . 1 . . . . 44 ILE HA . 17766 1 417 . 1 1 44 44 ILE HB H 1 1.74 0.02 . 1 . . . . 44 ILE HB . 17766 1 418 . 1 1 44 44 ILE HG12 H 1 1.36 0.02 . 1 . . . . 44 ILE HG12 . 17766 1 419 . 1 1 44 44 ILE HG13 H 1 1.32 0.02 . 1 . . . . 44 ILE HG13 . 17766 1 420 . 1 1 44 44 ILE HG21 H 1 0.73 0.02 . 1 . . . . 44 ILE HD . 17766 1 421 . 1 1 44 44 ILE HG22 H 1 0.73 0.02 . 1 . . . . 44 ILE HD . 17766 1 422 . 1 1 44 44 ILE HG23 H 1 0.73 0.02 . 1 . . . . 44 ILE HD . 17766 1 423 . 1 1 44 44 ILE C C 13 173.2 0.40 . 1 . . . . 44 ILE C . 17766 1 424 . 1 1 44 44 ILE CA C 13 60.37 0.40 . 1 . . . . 44 ILE CA . 17766 1 425 . 1 1 44 44 ILE CB C 13 37.49 0.40 . 1 . . . . 44 ILE CB . 17766 1 426 . 1 1 44 44 ILE N N 15 126.1 0.40 . 1 . . . . 44 ILE N . 17766 1 427 . 1 1 45 45 SER H H 1 8.28 0.02 . 1 . . . . 45 SER H . 17766 1 428 . 1 1 45 45 SER HA H 1 4.35 0.40 . 1 . . . . 45 SER HA . 17766 1 429 . 1 1 45 45 SER HB2 H 1 3.73 0.02 . 1 . . . . 45 SER HB2 . 17766 1 430 . 1 1 45 45 SER HB3 H 1 3.73 0.02 . 1 . . . . 45 SER HB3 . 17766 1 431 . 1 1 45 45 SER C C 13 171.5 0.40 . 1 . . . . 45 SER C . 17766 1 432 . 1 1 45 45 SER CA C 13 58.86 0.40 . 1 . . . . 45 SER CA . 17766 1 433 . 1 1 45 45 SER CB C 13 63.09 0.40 . 1 . . . . 45 SER CB . 17766 1 434 . 1 1 45 45 SER N N 15 120.1 0.40 . 1 . . . . 45 SER N . 17766 1 435 . 1 1 46 46 ASN H H 1 8.44 0.02 . 1 . . . . 46 ASN H . 17766 1 436 . 1 1 46 46 ASN HA H 1 4.58 0.40 . 1 . . . . 46 ASN HA . 17766 1 437 . 1 1 46 46 ASN HB2 H 1 2.63 0.02 . 1 . . . . 46 ASN HB2 . 17766 1 438 . 1 1 46 46 ASN HB3 H 1 2.62 0.02 . 1 . . . . 46 ASN HB3 . 17766 1 439 . 1 1 46 46 ASN C C 13 172.5 0.40 . 1 . . . . 46 ASN C . 17766 1 440 . 1 1 46 46 ASN CA C 13 53.50 0.40 . 1 . . . . 46 ASN CA . 17766 1 441 . 1 1 46 46 ASN CB C 13 37.41 0.40 . 1 . . . . 46 ASN CB . 17766 1 442 . 1 1 46 46 ASN N N 15 121.5 0.40 . 1 . . . . 46 ASN N . 17766 1 443 . 1 1 47 47 ASP H H 1 8.18 0.02 . 1 . . . . 47 ASP H . 17766 1 444 . 1 1 47 47 ASP HA H 1 4.32 0.40 . 1 . . . . 47 ASP HA . 17766 1 445 . 1 1 47 47 ASP HB2 H 1 2.97 0.02 . 1 . . . . 47 ASP HB2 . 17766 1 446 . 1 1 47 47 ASP HB3 H 1 2.86 0.02 . 1 . . . . 47 ASP HB3 . 17766 1 447 . 1 1 47 47 ASP C C 13 175.6 0.40 . 1 . . . . 47 ASP C . 17766 1 448 . 1 1 47 47 ASP CA C 13 55.00 0.40 . 1 . . . . 47 ASP CA . 17766 1 449 . 1 1 47 47 ASP CB C 13 39.67 0.40 . 1 . . . . 47 ASP CB . 17766 1 450 . 1 1 47 47 ASP N N 15 120.4 0.40 . 1 . . . . 47 ASP N . 17766 1 451 . 1 1 48 48 TYR H H 1 8.00 0.02 . 1 . . . . 48 TYR H . 17766 1 452 . 1 1 48 48 TYR HA H 1 4.32 0.40 . 1 . . . . 48 TYR HA . 17766 1 453 . 1 1 48 48 TYR HB2 H 1 2.97 0.02 . 1 . . . . 48 TYR HB2 . 17766 1 454 . 1 1 48 48 TYR HB3 H 1 2.86 0.02 . 1 . . . . 48 TYR HB3 . 17766 1 455 . 1 1 48 48 TYR C C 13 173.1 0.40 . 1 . . . . 48 TYR C . 17766 1 456 . 1 1 48 48 TYR CA C 13 58.00 0.40 . 1 . . . . 48 TYR CA . 17766 1 457 . 1 1 48 48 TYR CB C 13 39.15 0.40 . 1 . . . . 48 TYR CB . 17766 1 458 . 1 1 48 48 TYR N N 15 121.8 0.40 . 1 . . . . 48 TYR N . 17766 1 459 . 1 1 49 49 LEU H H 1 7.78 0.02 . 1 . . . . 49 LEU H . 17766 1 460 . 1 1 49 49 LEU HA H 1 4.10 0.40 . 1 . . . . 49 LEU HA . 17766 1 461 . 1 1 49 49 LEU HB2 H 1 1.45 0.02 . 1 . . . . 49 LEU HB2 . 17766 1 462 . 1 1 49 49 LEU HB3 H 1 1.27 0.02 . 1 . . . . 49 LEU HB3 . 17766 1 463 . 1 1 49 49 LEU HG H 1 1.27 0.02 . 1 . . . . 49 LEU HG . 17766 1 464 . 1 1 49 49 LEU HD11 H 1 0.72 0.02 . 1 . . . . 49 LEU HD1 . 17766 1 465 . 1 1 49 49 LEU HD12 H 1 0.72 0.02 . 1 . . . . 49 LEU HD1 . 17766 1 466 . 1 1 49 49 LEU HD13 H 1 0.72 0.02 . 1 . . . . 49 LEU HD1 . 17766 1 467 . 1 1 49 49 LEU HD21 H 1 0.72 0.02 . 1 . . . . 49 LEU HD2 . 17766 1 468 . 1 1 49 49 LEU HD22 H 1 0.72 0.02 . 1 . . . . 49 LEU HD2 . 17766 1 469 . 1 1 49 49 LEU HD23 H 1 0.72 0.02 . 1 . . . . 49 LEU HD2 . 17766 1 470 . 1 1 49 49 LEU C C 13 174.2 0.40 . 1 . . . . 49 LEU C . 17766 1 471 . 1 1 49 49 LEU CA C 13 55.30 0.40 . 1 . . . . 49 LEU CA . 17766 1 472 . 1 1 49 49 LEU CB C 13 41.32 0.40 . 1 . . . . 49 LEU CB . 17766 1 473 . 1 1 49 49 LEU N N 15 121.1 0.40 . 1 . . . . 49 LEU N . 17766 1 474 . 1 1 50 50 ASN H H 1 8.08 0.02 . 1 . . . . 50 ASN H . 17766 1 475 . 1 1 50 50 ASN HA H 1 4.55 0.40 . 1 . . . . 50 ASN HA . 17766 1 476 . 1 1 50 50 ASN HB2 H 1 2.63 0.02 . 1 . . . . 50 ASN HB2 . 17766 1 477 . 1 1 50 50 ASN HB3 H 1 2.63 0.02 . 1 . . . . 50 ASN HB3 . 17766 1 478 . 1 1 50 50 ASN C C 13 172.5 0.40 . 1 . . . . 50 ASN C . 17766 1 479 . 1 1 50 50 ASN CA C 13 53.38 0.40 . 1 . . . . 50 ASN CA . 17766 1 480 . 1 1 50 50 ASN CB C 13 37.49 0.40 . 1 . . . . 50 ASN CB . 17766 1 481 . 1 1 50 50 ASN N N 15 118.8 0.40 . 1 . . . . 50 ASN N . 17766 1 482 . 1 1 51 51 LYS H H 1 7.89 0.02 . 1 . . . . 51 LYS H . 17766 1 483 . 1 1 51 51 LYS HA H 1 4.15 0.40 . 1 . . . . 51 LYS HA . 17766 1 484 . 1 1 51 51 LYS HG2 H 1 1.35 0.02 . 1 . . . . 51 LYS HG2 . 17766 1 485 . 1 1 51 51 LYS HG3 H 1 1.35 0.02 . 1 . . . . 51 LYS HG3 . 17766 1 486 . 1 1 51 51 LYS HD2 H 1 1.61 0.02 . 1 . . . . 51 LYS HD2 . 17766 1 487 . 1 1 51 51 LYS HD3 H 1 1.61 0.02 . 1 . . . . 51 LYS HD3 . 17766 1 488 . 1 1 51 51 LYS C C 13 173.6 0.40 . 1 . . . . 51 LYS C . 17766 1 489 . 1 1 51 51 LYS CA C 13 56.10 0.40 . 1 . . . . 51 LYS CA . 17766 1 490 . 1 1 51 51 LYS CB C 13 31.72 0.40 . 1 . . . . 51 LYS CB . 17766 1 491 . 1 1 51 51 LYS N N 15 120.4 0.40 . 1 . . . . 51 LYS N . 17766 1 492 . 1 1 52 52 ASP H H 1 8.17 0.02 . 1 . . . . 52 ASP H . 17766 1 493 . 1 1 52 52 ASP HA H 1 4.46 0.40 . 1 . . . . 52 ASP HA . 17766 1 494 . 1 1 52 52 ASP HB2 H 1 2.61 0.02 . 1 . . . . 52 ASP HB2 . 17766 1 495 . 1 1 52 52 ASP HB3 H 1 2.49 0.02 . 1 . . . . 52 ASP HB3 . 17766 1 496 . 1 1 52 52 ASP C C 13 175.6 0.40 . 1 . . . . 52 ASP C . 17766 1 497 . 1 1 52 52 ASP CA C 13 54.73 0.40 . 1 . . . . 52 ASP CA . 17766 1 498 . 1 1 52 52 ASP CB C 13 40.87 0.40 . 1 . . . . 52 ASP CB . 17766 1 499 . 1 1 52 52 ASP N N 15 120.7 0.40 . 1 . . . . 52 ASP N . 17766 1 500 . 1 1 53 53 LEU H H 1 7.90 0.02 . 1 . . . . 53 LEU H . 17766 1 501 . 1 1 53 53 LEU HA H 1 4.20 0.40 . 1 . . . . 53 LEU HA . 17766 1 502 . 1 1 53 53 LEU HB2 H 1 1.48 0.02 . 1 . . . . 53 LEU HB2 . 17766 1 503 . 1 1 53 53 LEU HB3 H 1 1.48 0.02 . 1 . . . . 53 LEU HB3 . 17766 1 504 . 1 1 53 53 LEU HG H 1 1.48 0.02 . 1 . . . . 53 LEU HG . 17766 1 505 . 1 1 53 53 LEU HD11 H 1 0.78 0.02 . 1 . . . . 53 LEU HD1 . 17766 1 506 . 1 1 53 53 LEU HD12 H 1 0.78 0.02 . 1 . . . . 53 LEU HD1 . 17766 1 507 . 1 1 53 53 LEU HD13 H 1 0.78 0.02 . 1 . . . . 53 LEU HD1 . 17766 1 508 . 1 1 53 53 LEU HD21 H 1 0.78 0.02 . 1 . . . . 53 LEU HD2 . 17766 1 509 . 1 1 53 53 LEU HD22 H 1 0.78 0.02 . 1 . . . . 53 LEU HD2 . 17766 1 510 . 1 1 53 53 LEU HD23 H 1 0.78 0.02 . 1 . . . . 53 LEU HD2 . 17766 1 511 . 1 1 53 53 LEU C C 13 173.7 0.40 . 1 . . . . 53 LEU C . 17766 1 512 . 1 1 53 53 LEU CA C 13 55.30 0.40 . 1 . . . . 53 LEU CA . 17766 1 513 . 1 1 53 53 LEU CB C 13 41.32 0.40 . 1 . . . . 53 LEU CB . 17766 1 514 . 1 1 53 53 LEU N N 15 121.7 0.40 . 1 . . . . 53 LEU N . 17766 1 515 . 1 1 54 54 VAL H H 1 7.96 0.02 . 1 . . . . 54 VAL H . 17766 1 516 . 1 1 54 54 VAL HA H 1 4.04 0.40 . 1 . . . . 54 VAL HA . 17766 1 517 . 1 1 54 54 VAL HB H 1 1.96 0.02 . 1 . . . . 54 VAL HB . 17766 1 518 . 1 1 54 54 VAL HG11 H 1 0.81 0.02 . 1 . . . . 54 VAL HG1 . 17766 1 519 . 1 1 54 54 VAL HG12 H 1 0.81 0.02 . 1 . . . . 54 VAL HG1 . 17766 1 520 . 1 1 54 54 VAL HG13 H 1 0.81 0.02 . 1 . . . . 54 VAL HG1 . 17766 1 521 . 1 1 54 54 VAL HG21 H 1 0.81 0.02 . 1 . . . . 54 VAL HG2 . 17766 1 522 . 1 1 54 54 VAL HG22 H 1 0.81 0.02 . 1 . . . . 54 VAL HG2 . 17766 1 523 . 1 1 54 54 VAL HG23 H 1 0.81 0.02 . 1 . . . . 54 VAL HG2 . 17766 1 524 . 1 1 54 54 VAL C C 13 173.2 0.40 . 1 . . . . 54 VAL C . 17766 1 525 . 1 1 54 54 VAL CA C 13 63.90 0.40 . 1 . . . . 54 VAL CA . 17766 1 526 . 1 1 54 54 VAL CB C 13 31.76 0.40 . 1 . . . . 54 VAL CB . 17766 1 527 . 1 1 54 54 VAL N N 15 120.2 0.40 . 1 . . . . 54 VAL N . 17766 1 528 . 1 1 55 55 SER H H 1 8.35 0.02 . 1 . . . . 55 SER H . 17766 1 529 . 1 1 55 55 SER HA H 1 4.37 0.40 . 1 . . . . 55 SER HA . 17766 1 530 . 1 1 55 55 SER HB2 H 1 3.92 0.02 . 1 . . . . 55 SER HB2 . 17766 1 531 . 1 1 55 55 SER HB3 H 1 3.92 0.02 . 1 . . . . 55 SER HB3 . 17766 1 532 . 1 1 55 55 SER C C 13 172.4 0.40 . 1 . . . . 55 SER C . 17766 1 533 . 1 1 55 55 SER CA C 13 58.56 0.40 . 1 . . . . 55 SER CA . 17766 1 534 . 1 1 55 55 SER CB C 13 63.18 0.40 . 1 . . . . 55 SER CB . 17766 1 535 . 1 1 55 55 SER N N 15 120.0 0.40 . 1 . . . . 55 SER N . 17766 1 536 . 1 1 56 56 GLY H H 1 8.14 0.02 . 1 . . . . 56 GLY H . 17766 1 537 . 1 1 56 56 GLY HA2 H 1 3.86 0.40 . 1 . . . . 56 GLY HA2 . 17766 1 538 . 1 1 56 56 GLY HA3 H 1 3.86 0.40 . 1 . . . . 56 GLY HA3 . 17766 1 539 . 1 1 56 56 GLY C C 13 171.8 0.40 . 1 . . . . 56 GLY C . 17766 1 540 . 1 1 56 56 GLY CA C 13 44.98 0.40 . 1 . . . . 56 GLY CA . 17766 1 541 . 1 1 56 56 GLY N N 15 111.1 0.40 . 1 . . . . 56 GLY N . 17766 1 542 . 1 1 57 57 GLY H H 1 8.14 0.02 . 1 . . . . 57 GLY H . 17766 1 543 . 1 1 57 57 GLY HA2 H 1 3.86 0.40 . 1 . . . . 57 GLY HA2 . 17766 1 544 . 1 1 57 57 GLY HA3 H 1 3.86 0.02 . 1 . . . . 57 GLY HA3 . 17766 1 545 . 1 1 57 57 GLY C C 13 170.9 0.40 . 1 . . . . 57 GLY C . 17766 1 546 . 1 1 57 57 GLY CA C 13 43.50 0.40 . 1 . . . . 57 GLY CA . 17766 1 547 . 1 1 57 57 GLY N N 15 108.5 0.40 . 1 . . . . 57 GLY N . 17766 1 548 . 1 1 58 58 VAL H H 1 7.87 0.02 . 1 . . . . 58 VAL H . 17766 1 549 . 1 1 58 58 VAL HA H 1 4.01 0.40 . 1 . . . . 58 VAL HA . 17766 1 550 . 1 1 58 58 VAL HB H 1 1.91 0.02 . 1 . . . . 58 VAL HB . 17766 1 551 . 1 1 58 58 VAL HG11 H 1 0.78 0.02 . 1 . . . . 58 VAL HG1 . 17766 1 552 . 1 1 58 58 VAL HG12 H 1 0.78 0.02 . 1 . . . . 58 VAL HG1 . 17766 1 553 . 1 1 58 58 VAL HG13 H 1 0.78 0.02 . 1 . . . . 58 VAL HG1 . 17766 1 554 . 1 1 58 58 VAL HG21 H 1 0.78 0.02 . 1 . . . . 58 VAL HG2 . 17766 1 555 . 1 1 58 58 VAL HG22 H 1 0.78 0.02 . 1 . . . . 58 VAL HG2 . 17766 1 556 . 1 1 58 58 VAL HG23 H 1 0.78 0.02 . 1 . . . . 58 VAL HG2 . 17766 1 557 . 1 1 58 58 VAL C C 13 173.2 0.40 . 1 . . . . 58 VAL C . 17766 1 558 . 1 1 58 58 VAL CA C 13 61.40 0.40 . 1 . . . . 58 VAL CA . 17766 1 559 . 1 1 58 58 VAL CB C 13 32.01 0.40 . 1 . . . . 58 VAL CB . 17766 1 560 . 1 1 58 58 VAL N N 15 119.8 0.40 . 1 . . . . 58 VAL N . 17766 1 561 . 1 1 59 59 VAL H H 1 8.22 0.02 . 1 . . . . 59 VAL H . 17766 1 562 . 1 1 59 59 VAL HA H 1 4.00 0.40 . 1 . . . . 59 VAL HA . 17766 1 563 . 1 1 59 59 VAL HB H 1 1.90 0.02 . 1 . . . . 59 VAL HB . 17766 1 564 . 1 1 59 59 VAL HG11 H 1 0.77 0.02 . 1 . . . . 59 VAL HG1 . 17766 1 565 . 1 1 59 59 VAL HG12 H 1 0.77 0.02 . 1 . . . . 59 VAL HG1 . 17766 1 566 . 1 1 59 59 VAL HG13 H 1 0.77 0.02 . 1 . . . . 59 VAL HG1 . 17766 1 567 . 1 1 59 59 VAL HG21 H 1 0.77 0.02 . 1 . . . . 59 VAL HG2 . 17766 1 568 . 1 1 59 59 VAL HG22 H 1 0.77 0.02 . 1 . . . . 59 VAL HG2 . 17766 1 569 . 1 1 59 59 VAL HG23 H 1 0.77 0.02 . 1 . . . . 59 VAL HG2 . 17766 1 570 . 1 1 59 59 VAL C C 13 173.2 0.40 . 1 . . . . 59 VAL C . 17766 1 571 . 1 1 59 59 VAL CA C 13 61.30 0.40 . 1 . . . . 59 VAL CA . 17766 1 572 . 1 1 59 59 VAL CB C 13 31.92 0.40 . 1 . . . . 59 VAL CB . 17766 1 573 . 1 1 59 59 VAL N N 15 125.5 0.40 . 1 . . . . 59 VAL N . 17766 1 574 . 1 1 60 60 VAL H H 1 8.27 0.02 . 1 . . . . 60 VAL H . 17766 1 575 . 1 1 60 60 VAL HA H 1 3.98 0.40 . 1 . . . . 60 VAL HA . 17766 1 576 . 1 1 60 60 VAL HB H 1 1.99 0.02 . 1 . . . . 60 VAL HB . 17766 1 577 . 1 1 60 60 VAL HG11 H 1 0.77 0.02 . 1 . . . . 60 VAL HG1 . 17766 1 578 . 1 1 60 60 VAL HG12 H 1 0.77 0.02 . 1 . . . . 60 VAL HG1 . 17766 1 579 . 1 1 60 60 VAL HG13 H 1 0.77 0.02 . 1 . . . . 60 VAL HG1 . 17766 1 580 . 1 1 60 60 VAL HG21 H 1 0.77 0.02 . 1 . . . . 60 VAL HG2 . 17766 1 581 . 1 1 60 60 VAL HG22 H 1 0.77 0.02 . 1 . . . . 60 VAL HG2 . 17766 1 582 . 1 1 60 60 VAL HG23 H 1 0.77 0.02 . 1 . . . . 60 VAL HG2 . 17766 1 583 . 1 1 60 60 VAL C C 13 173.2 0.40 . 1 . . . . 60 VAL C . 17766 1 584 . 1 1 60 60 VAL CA C 13 61.40 0.40 . 1 . . . . 60 VAL CA . 17766 1 585 . 1 1 60 60 VAL CB C 13 30.96 0.40 . 1 . . . . 60 VAL CB . 17766 1 586 . 1 1 60 60 VAL N N 15 125.7 0.40 . 1 . . . . 60 VAL N . 17766 1 587 . 1 1 61 61 SER H H 1 8.29 0.02 . 1 . . . . 61 SER H . 17766 1 588 . 1 1 61 61 SER HA H 1 4.37 0.40 . 1 . . . . 61 SER HA . 17766 1 589 . 1 1 61 61 SER HB2 H 1 3.75 0.02 . 1 . . . . 61 SER HB2 . 17766 1 590 . 1 1 61 61 SER HB3 H 1 3.78 0.40 . 1 . . . . 61 SER HB3 . 17766 1 591 . 1 1 61 61 SER C C 13 171.7 0.40 . 1 . . . . 61 SER C . 17766 1 592 . 1 1 61 61 SER CA C 13 58.71 0.40 . 1 . . . . 61 SER CA . 17766 1 593 . 1 1 61 61 SER CB C 13 62.90 0.40 . 1 . . . . 61 SER CB . 17766 1 594 . 1 1 61 61 SER N N 15 119.0 0.40 . 1 . . . . 61 SER N . 17766 1 595 . 1 1 62 62 ASN H H 1 8.14 0.02 . 1 . . . . 62 ASN H . 17766 1 596 . 1 1 62 62 ASN HA H 1 4.63 0.40 . 1 . . . . 62 ASN HA . 17766 1 597 . 1 1 62 62 ASN HB2 H 1 2.70 0.02 . 1 . . . . 62 ASN HB2 . 17766 1 598 . 1 1 62 62 ASN HB3 H 1 2.69 0.02 . 1 . . . . 62 ASN HB3 . 17766 1 599 . 1 1 62 62 ASN C C 13 172.5 0.40 . 1 . . . . 62 ASN C . 17766 1 600 . 1 1 62 62 ASN CA C 13 54.23 0.40 . 1 . . . . 62 ASN CA . 17766 1 601 . 1 1 62 62 ASN CB C 13 38.24 0.40 . 1 . . . . 62 ASN CB . 17766 1 602 . 1 1 62 62 ASN N N 15 122.0 0.40 . 1 . . . . 62 ASN N . 17766 1 603 . 1 1 63 63 ALA H H 1 8.26 0.02 . 1 . . . . 63 ALA H . 17766 1 604 . 1 1 63 63 ALA HA H 1 4.11 0.40 . 1 . . . . 63 ALA HA . 17766 1 605 . 1 1 63 63 ALA HB1 H 1 1.31 0.02 . 1 . . . . 63 ALA HB . 17766 1 606 . 1 1 63 63 ALA HB2 H 1 1.31 0.02 . 1 . . . . 63 ALA HB . 17766 1 607 . 1 1 63 63 ALA HB3 H 1 1.31 0.02 . 1 . . . . 63 ALA HB . 17766 1 608 . 1 1 63 63 ALA C C 13 175.2 0.40 . 1 . . . . 63 ALA C . 17766 1 609 . 1 1 63 63 ALA CA C 13 53.33 0.40 . 1 . . . . 63 ALA CA . 17766 1 610 . 1 1 63 63 ALA CB C 13 17.81 0.40 . 1 . . . . 63 ALA CB . 17766 1 611 . 1 1 63 63 ALA N N 15 125.6 0.40 . 1 . . . . 63 ALA N . 17766 1 612 . 1 1 64 64 SER H H 1 8.22 0.02 . 1 . . . . 64 SER H . 17766 1 613 . 1 1 64 64 SER HA H 1 4.20 0.40 . 1 . . . . 64 SER HA . 17766 1 614 . 1 1 64 64 SER HB2 H 1 3.75 0.02 . 1 . . . . 64 SER HB2 . 17766 1 615 . 1 1 64 64 SER HB3 H 1 3.77 0.02 . 1 . . . . 64 SER HB3 . 17766 1 616 . 1 1 64 64 SER C C 13 171.7 0.40 . 1 . . . . 64 SER C . 17766 1 617 . 1 1 64 64 SER CA C 13 58.60 0.40 . 1 . . . . 64 SER CA . 17766 1 618 . 1 1 64 64 SER CB C 13 62.68 0.40 . 1 . . . . 64 SER CB . 17766 1 619 . 1 1 64 64 SER N N 15 114.5 0.40 . 1 . . . . 64 SER N . 17766 1 620 . 1 1 65 65 ASP H H 1 8.13 0.02 . 1 . . . . 65 ASP H . 17766 1 621 . 1 1 65 65 ASP HA H 1 4.52 0.40 . 1 . . . . 65 ASP HA . 17766 1 622 . 1 1 65 65 ASP HB2 H 1 2.75 0.02 . 1 . . . . 65 ASP HB2 . 17766 1 623 . 1 1 65 65 ASP HB3 H 1 2.65 0.02 . 1 . . . . 65 ASP HB3 . 17766 1 624 . 1 1 65 65 ASP C C 13 175.6 0.40 . 1 . . . . 65 ASP C . 17766 1 625 . 1 1 65 65 ASP CA C 13 54.73 0.40 . 1 . . . . 65 ASP CA . 17766 1 626 . 1 1 65 65 ASP CB C 13 40.87 0.40 . 1 . . . . 65 ASP CB . 17766 1 627 . 1 1 65 65 ASP N N 15 120.9 0.40 . 1 . . . . 65 ASP N . 17766 1 628 . 1 1 66 66 LYS H H 1 8.10 0.02 . 1 . . . . 66 LYS H . 17766 1 629 . 1 1 66 66 LYS HA H 1 4.20 0.40 . 1 . . . . 66 LYS HA . 17766 1 630 . 1 1 66 66 LYS HB2 H 1 1.69 0.02 . 1 . . . . 66 LYS HB2 . 17766 1 631 . 1 1 66 66 LYS HB3 H 1 1.69 0.02 . 1 . . . . 66 LYS HB3 . 17766 1 632 . 1 1 66 66 LYS HG2 H 1 1.28 0.02 . 1 . . . . 66 LYS HG2 . 17766 1 633 . 1 1 66 66 LYS HG3 H 1 1.28 0.02 . 1 . . . . 66 LYS HG3 . 17766 1 634 . 1 1 66 66 LYS HD2 H 1 1.56 0.02 . 1 . . . . 66 LYS HD2 . 17766 1 635 . 1 1 66 66 LYS HD3 H 1 1.54 0.02 . 1 . . . . 66 LYS HD3 . 17766 1 636 . 1 1 66 66 LYS HE2 H 1 2.84 0.02 . 1 . . . . 66 LYS HE2 . 17766 1 637 . 1 1 66 66 LYS HE3 H 1 2.84 0.02 . 1 . . . . 66 LYS HE3 . 17766 1 638 . 1 1 66 66 LYS C C 13 173.6 0.40 . 1 . . . . 66 LYS C . 17766 1 639 . 1 1 66 66 LYS CA C 13 54.90 0.40 . 1 . . . . 66 LYS CA . 17766 1 640 . 1 1 66 66 LYS CB C 13 32.05 0.40 . 1 . . . . 66 LYS CB . 17766 1 641 . 1 1 66 66 LYS N N 15 121.8 0.40 . 1 . . . . 66 LYS N . 17766 1 642 . 1 1 67 67 ILE H H 1 8.01 0.02 . 1 . . . . 67 ILE H . 17766 1 643 . 1 1 67 67 ILE HA H 1 4.02 0.40 . 1 . . . . 67 ILE HA . 17766 1 644 . 1 1 67 67 ILE HB H 1 1.72 0.02 . 1 . . . . 67 ILE HB . 17766 1 645 . 1 1 67 67 ILE HG12 H 1 1.02 0.02 . 1 . . . . 67 ILE HG12 . 17766 1 646 . 1 1 67 67 ILE HG13 H 1 1.01 0.02 . 1 . . . . 67 ILE HG13 . 17766 1 647 . 1 1 67 67 ILE HG21 H 1 0.73 0.02 . 1 . . . . 67 ILE HG13 . 17766 1 648 . 1 1 67 67 ILE HG22 H 1 0.73 0.02 . 1 . . . . 67 ILE HG13 . 17766 1 649 . 1 1 67 67 ILE HG23 H 1 0.73 0.02 . 1 . . . . 67 ILE HG13 . 17766 1 650 . 1 1 67 67 ILE C C 13 173.2 0.40 . 1 . . . . 67 ILE C . 17766 1 651 . 1 1 67 67 ILE CA C 13 60.80 0.40 . 1 . . . . 67 ILE CA . 17766 1 652 . 1 1 67 67 ILE CB C 13 37.64 0.40 . 1 . . . . 67 ILE CB . 17766 1 653 . 1 1 67 67 ILE N N 15 122.5 0.40 . 1 . . . . 67 ILE N . 17766 1 654 . 1 1 68 68 GLU H H 1 8.09 0.02 . 1 . . . . 68 GLU H . 17766 1 655 . 1 1 68 68 GLU HA H 1 4.33 0.40 . 1 . . . . 68 GLU HA . 17766 1 656 . 1 1 68 68 GLU HB2 H 1 1.88 0.02 . 1 . . . . 68 GLU HB2 . 17766 1 657 . 1 1 68 68 GLU HB3 H 1 1.91 0.40 . 1 . . . . 68 GLU HB3 . 17766 1 658 . 1 1 68 68 GLU C C 13 173.5 0.40 . 1 . . . . 68 GLU C . 17766 1 659 . 1 1 68 68 GLU CA C 13 55.40 0.40 . 1 . . . . 68 GLU CA . 17766 1 660 . 1 1 68 68 GLU CB C 13 29.01 0.40 . 1 . . . . 68 GLU CB . 17766 1 661 . 1 1 68 68 GLU N N 15 125.1 0.40 . 1 . . . . 68 GLU N . 17766 1 662 . 1 1 69 69 ILE H H 1 8.14 0.02 . 1 . . . . 69 ILE H . 17766 1 663 . 1 1 69 69 ILE HA H 1 4.14 0.40 . 1 . . . . 69 ILE HA . 17766 1 664 . 1 1 69 69 ILE HB H 1 1.72 0.02 . 1 . . . . 69 ILE HB . 17766 1 665 . 1 1 69 69 ILE HG12 H 1 1.35 0.02 . 1 . . . . 69 ILE HG12 . 17766 1 666 . 1 1 69 69 ILE HG13 H 1 1.34 0.02 . 1 . . . . 69 ILE HG13 . 17766 1 667 . 1 1 69 69 ILE C C 13 173.2 0.40 . 1 . . . . 69 ILE C . 17766 1 668 . 1 1 69 69 ILE CA C 13 60.80 0.40 . 1 . . . . 69 ILE CA . 17766 1 669 . 1 1 69 69 ILE CB C 13 37.00 0.40 . 1 . . . . 69 ILE CB . 17766 1 670 . 1 1 69 69 ILE N N 15 122.4 0.40 . 1 . . . . 69 ILE N . 17766 1 671 . 1 1 70 70 ASN H H 1 8.27 0.02 . 1 . . . . 70 ASN H . 17766 1 672 . 1 1 70 70 ASN HA H 1 4.62 0.40 . 1 . . . . 70 ASN HA . 17766 1 673 . 1 1 70 70 ASN HB2 H 1 2.69 0.02 . 1 . . . . 70 ASN HB2 . 17766 1 674 . 1 1 70 70 ASN HB3 H 1 2.69 0.02 . 1 . . . . 70 ASN HB3 . 17766 1 675 . 1 1 70 70 ASN C C 13 172.2 0.40 . 1 . . . . 70 ASN C . 17766 1 676 . 1 1 70 70 ASN CA C 13 53.60 0.40 . 1 . . . . 70 ASN CA . 17766 1 677 . 1 1 70 70 ASN CB C 13 38.73 0.40 . 1 . . . . 70 ASN CB . 17766 1 678 . 1 1 70 70 ASN N N 15 125.7 0.40 . 1 . . . . 70 ASN N . 17766 1 679 . 1 1 71 71 ASN H H 1 8.38 0.02 . 1 . . . . 71 ASN H . 17766 1 680 . 1 1 71 71 ASN HA H 1 4.69 0.40 . 1 . . . . 71 ASN HA . 17766 1 681 . 1 1 71 71 ASN HB2 H 1 2.66 0.02 . 1 . . . . 71 ASN HB2 . 17766 1 682 . 1 1 71 71 ASN HB3 H 1 2.67 0.02 . 1 . . . . 71 ASN HB3 . 17766 1 683 . 1 1 71 71 ASN C C 13 172.9 0.40 . 1 . . . . 71 ASN C . 17766 1 684 . 1 1 71 71 ASN CA C 13 53.65 0.40 . 1 . . . . 71 ASN CA . 17766 1 685 . 1 1 71 71 ASN CB C 13 37.57 0.40 . 1 . . . . 71 ASN CB . 17766 1 686 . 1 1 71 71 ASN N N 15 120.0 0.40 . 1 . . . . 71 ASN N . 17766 1 687 . 1 1 72 72 THR H H 1 8.09 0.02 . 1 . . . . 72 THR H . 17766 1 688 . 1 1 72 72 THR HA H 1 4.20 0.40 . 1 . . . . 72 THR HA . 17766 1 689 . 1 1 72 72 THR HB H 1 4.04 0.02 . 1 . . . . 72 THR HB . 17766 1 690 . 1 1 72 72 THR HG21 H 1 1.11 0.02 . 1 . . . . 72 THR HG1 . 17766 1 691 . 1 1 72 72 THR HG22 H 1 1.11 0.02 . 1 . . . . 72 THR HG1 . 17766 1 692 . 1 1 72 72 THR HG23 H 1 1.11 0.02 . 1 . . . . 72 THR HG1 . 17766 1 693 . 1 1 72 72 THR C C 13 172.3 0.40 . 1 . . . . 72 THR C . 17766 1 694 . 1 1 72 72 THR CA C 13 63.00 0.40 . 1 . . . . 72 THR CA . 17766 1 695 . 1 1 72 72 THR CB C 13 68.73 0.40 . 1 . . . . 72 THR CB . 17766 1 696 . 1 1 72 72 THR N N 15 114.0 0.40 . 1 . . . . 72 THR N . 17766 1 697 . 1 1 73 73 LEU H H 1 8.17 0.02 . 1 . . . . 73 LEU H . 17766 1 698 . 1 1 73 73 LEU HA H 1 4.22 0.40 . 1 . . . . 73 LEU HA . 17766 1 699 . 1 1 73 73 LEU HB2 H 1 1.52 0.02 . 1 . . . . 73 LEU HB2 . 17766 1 700 . 1 1 73 73 LEU HB3 H 1 1.52 0.02 . 1 . . . . 73 LEU HB3 . 17766 1 701 . 1 1 73 73 LEU HG H 1 1.52 0.02 . 1 . . . . 73 LEU HG . 17766 1 702 . 1 1 73 73 LEU C C 13 174.0 0.40 . 1 . . . . 73 LEU C . 17766 1 703 . 1 1 73 73 LEU CA C 13 55.00 0.40 . 1 . . . . 73 LEU CA . 17766 1 704 . 1 1 73 73 LEU CB C 13 42.55 0.40 . 1 . . . . 73 LEU CB . 17766 1 705 . 1 1 73 73 LEU N N 15 123.7 0.40 . 1 . . . . 73 LEU N . 17766 1 706 . 1 1 74 74 GLU H H 1 8.27 0.02 . 1 . . . . 74 GLU H . 17766 1 707 . 1 1 74 74 GLU HA H 1 4.14 0.40 . 1 . . . . 74 GLU HA . 17766 1 708 . 1 1 74 74 GLU HB2 H 1 2.16 0.02 . 1 . . . . 74 GLU HB2 . 17766 1 709 . 1 1 74 74 GLU HB3 H 1 2.15 0.02 . 1 . . . . 74 GLU HB3 . 17766 1 710 . 1 1 74 74 GLU HG2 H 1 2.18 0.02 . 1 . . . . 74 GLU HG2 . 17766 1 711 . 1 1 74 74 GLU HG3 H 1 2.18 0.02 . 1 . . . . 74 GLU HG3 . 17766 1 712 . 1 1 74 74 GLU C C 13 174.4 0.40 . 1 . . . . 74 GLU C . 17766 1 713 . 1 1 74 74 GLU CA C 13 56.00 0.40 . 1 . . . . 74 GLU CA . 17766 1 714 . 1 1 74 74 GLU CB C 13 28.85 0.40 . 1 . . . . 74 GLU CB . 17766 1 715 . 1 1 74 74 GLU N N 15 122.5 0.40 . 1 . . . . 74 GLU N . 17766 1 716 . 1 1 75 75 GLU H H 1 8.22 0.02 . 1 . . . . 75 GLU H . 17766 1 717 . 1 1 75 75 GLU HA H 1 4.13 0.40 . 1 . . . . 75 GLU HA . 17766 1 718 . 1 1 75 75 GLU HB2 H 1 2.14 0.02 . 1 . . . . 75 GLU HB2 . 17766 1 719 . 1 1 75 75 GLU HB3 H 1 2.14 0.02 . 1 . . . . 75 GLU HB3 . 17766 1 720 . 1 1 75 75 GLU HG2 H 1 2.18 0.02 . 1 . . . . 75 GLU HG2 . 17766 1 721 . 1 1 75 75 GLU HG3 H 1 2.18 0.02 . 1 . . . . 75 GLU HG3 . 17766 1 722 . 1 1 75 75 GLU C C 13 174.4 0.40 . 1 . . . . 75 GLU C . 17766 1 723 . 1 1 75 75 GLU CA C 13 56.19 0.40 . 1 . . . . 75 GLU CA . 17766 1 724 . 1 1 75 75 GLU CB C 13 30.93 0.40 . 1 . . . . 75 GLU CB . 17766 1 725 . 1 1 75 75 GLU N N 15 121.6 0.40 . 1 . . . . 75 GLU N . 17766 1 726 . 1 1 76 76 ARG H H 1 8.15 0.02 . 1 . . . . 76 ARG H . 17766 1 727 . 1 1 76 76 ARG HA H 1 4.27 0.40 . 1 . . . . 76 ARG HA . 17766 1 728 . 1 1 76 76 ARG HB2 H 1 1.68 0.02 . 1 . . . . 76 ARG HB2 . 17766 1 729 . 1 1 76 76 ARG HB3 H 1 1.68 0.02 . 1 . . . . 76 ARG HB3 . 17766 1 730 . 1 1 76 76 ARG HG2 H 1 1.45 0.02 . 1 . . . . 76 ARG HG2 . 17766 1 731 . 1 1 76 76 ARG HG3 H 1 1.46 0.02 . 1 . . . . 76 ARG HG3 . 17766 1 732 . 1 1 76 76 ARG HD2 H 1 3.07 0.02 . 1 . . . . 76 ARG HD2 . 17766 1 733 . 1 1 76 76 ARG HD3 H 1 3.07 0.02 . 1 . . . . 76 ARG HD3 . 17766 1 734 . 1 1 76 76 ARG C C 13 172.5 0.40 . 1 . . . . 76 ARG C . 17766 1 735 . 1 1 76 76 ARG CA C 13 55.70 0.40 . 1 . . . . 76 ARG CA . 17766 1 736 . 1 1 76 76 ARG CB C 13 29.25 0.40 . 1 . . . . 76 ARG CB . 17766 1 737 . 1 1 76 76 ARG N N 15 121.1 0.40 . 1 . . . . 76 ARG N . 17766 1 738 . 1 1 77 77 LEU H H 1 8.26 0.02 . 1 . . . . 77 LEU H . 17766 1 739 . 1 1 77 77 LEU HA H 1 4.21 0.40 . 1 . . . . 77 LEU HA . 17766 1 740 . 1 1 77 77 LEU HB2 H 1 1.58 0.02 . 1 . . . . 77 LEU HB2 . 17766 1 741 . 1 1 77 77 LEU HB3 H 1 1.58 0.02 . 1 . . . . 77 LEU HB3 . 17766 1 742 . 1 1 77 77 LEU HG H 1 1.57 0.02 . 1 . . . . 77 LEU HG . 17766 1 743 . 1 1 77 77 LEU HD11 H 1 0.79 0.02 . 1 . . . . 77 LEU HD1 . 17766 1 744 . 1 1 77 77 LEU HD12 H 1 0.79 0.02 . 1 . . . . 77 LEU HD1 . 17766 1 745 . 1 1 77 77 LEU HD13 H 1 0.79 0.02 . 1 . . . . 77 LEU HD1 . 17766 1 746 . 1 1 77 77 LEU HD21 H 1 0.78 0.02 . 1 . . . . 77 LEU HD2 . 17766 1 747 . 1 1 77 77 LEU HD22 H 1 0.78 0.02 . 1 . . . . 77 LEU HD2 . 17766 1 748 . 1 1 77 77 LEU HD23 H 1 0.78 0.02 . 1 . . . . 77 LEU HD2 . 17766 1 749 . 1 1 77 77 LEU C C 13 174.0 0.40 . 1 . . . . 77 LEU C . 17766 1 750 . 1 1 77 77 LEU CA C 13 55.00 0.40 . 1 . . . . 77 LEU CA . 17766 1 751 . 1 1 77 77 LEU CB C 13 41.90 0.40 . 1 . . . . 77 LEU CB . 17766 1 752 . 1 1 77 77 LEU N N 15 124.8 0.40 . 1 . . . . 77 LEU N . 17766 1 753 . 1 1 78 78 LYS H H 1 7.98 0.02 . 1 . . . . 78 LYS H . 17766 1 754 . 1 1 78 78 LYS HA H 1 4.08 0.40 . 1 . . . . 78 LYS HA . 17766 1 755 . 1 1 78 78 LYS HB2 H 1 1.75 0.02 . 1 . . . . 78 LYS HB2 . 17766 1 756 . 1 1 78 78 LYS HB3 H 1 1.75 0.02 . 1 . . . . 78 LYS HB3 . 17766 1 757 . 1 1 78 78 LYS HG2 H 1 1.45 0.02 . 1 . . . . 78 LYS HG2 . 17766 1 758 . 1 1 78 78 LYS HG3 H 1 1.45 0.02 . 1 . . . . 78 LYS HG3 . 17766 1 759 . 1 1 78 78 LYS HD2 H 1 1.62 0.02 . 1 . . . . 78 LYS HD2 . 17766 1 760 . 1 1 78 78 LYS HD3 H 1 1.61 0.02 . 1 . . . . 78 LYS HD3 . 17766 1 761 . 1 1 78 78 LYS HE2 H 1 3.14 0.02 . 1 . . . . 78 LYS HE2 . 17766 1 762 . 1 1 78 78 LYS HE3 H 1 3.14 0.02 . 1 . . . . 78 LYS HE3 . 17766 1 763 . 1 1 78 78 LYS C C 13 174.7 0.40 . 1 . . . . 78 LYS C . 17766 1 764 . 1 1 78 78 LYS CA C 13 56.50 0.40 . 1 . . . . 78 LYS CA . 17766 1 765 . 1 1 78 78 LYS CB C 13 31.93 0.40 . 1 . . . . 78 LYS CB . 17766 1 766 . 1 1 78 78 LYS N N 15 120.8 0.40 . 1 . . . . 78 LYS N . 17766 1 767 . 1 1 79 79 LEU H H 1 7.83 0.02 . 1 . . . . 79 LEU H . 17766 1 768 . 1 1 79 79 LEU HA H 1 4.16 0.40 . 1 . . . . 79 LEU HA . 17766 1 769 . 1 1 79 79 LEU HB2 H 1 1.56 0.02 . 1 . . . . 79 LEU HB2 . 17766 1 770 . 1 1 79 79 LEU HB3 H 1 1.56 0.02 . 1 . . . . 79 LEU HB3 . 17766 1 771 . 1 1 79 79 LEU HG H 1 1.58 0.02 . 1 . . . . 79 LEU HG . 17766 1 772 . 1 1 79 79 LEU HD11 H 1 0.75 0.02 . 1 . . . . 79 LEU HD1 . 17766 1 773 . 1 1 79 79 LEU HD12 H 1 0.75 0.02 . 1 . . . . 79 LEU HD1 . 17766 1 774 . 1 1 79 79 LEU HD13 H 1 0.75 0.02 . 1 . . . . 79 LEU HD1 . 17766 1 775 . 1 1 79 79 LEU HD21 H 1 0.75 0.02 . 1 . . . . 79 LEU HD2 . 17766 1 776 . 1 1 79 79 LEU HD22 H 1 0.75 0.02 . 1 . . . . 79 LEU HD2 . 17766 1 777 . 1 1 79 79 LEU HD23 H 1 0.75 0.02 . 1 . . . . 79 LEU HD2 . 17766 1 778 . 1 1 79 79 LEU C C 13 174.0 0.40 . 1 . . . . 79 LEU C . 17766 1 779 . 1 1 79 79 LEU CA C 13 55.70 0.40 . 1 . . . . 79 LEU CA . 17766 1 780 . 1 1 79 79 LEU CB C 13 40.61 0.40 . 1 . . . . 79 LEU CB . 17766 1 781 . 1 1 79 79 LEU N N 15 121.2 0.40 . 1 . . . . 79 LEU N . 17766 1 782 . 1 1 80 80 LEU H H 1 7.98 0.02 . 1 . . . . 80 LEU H . 17766 1 783 . 1 1 80 80 LEU HA H 1 4.21 0.40 . 1 . . . . 80 LEU HA . 17766 1 784 . 1 1 80 80 LEU HB2 H 1 1.61 0.02 . 1 . . . . 80 LEU HB2 . 17766 1 785 . 1 1 80 80 LEU HB3 H 1 1.54 0.02 . 1 . . . . 80 LEU HB3 . 17766 1 786 . 1 1 80 80 LEU HG H 1 1.53 0.02 . 1 . . . . 80 LEU HG . 17766 1 787 . 1 1 80 80 LEU HD11 H 1 0.72 0.02 . 1 . . . . 80 LEU HD1 . 17766 1 788 . 1 1 80 80 LEU HD12 H 1 0.72 0.02 . 1 . . . . 80 LEU HD1 . 17766 1 789 . 1 1 80 80 LEU HD13 H 1 0.72 0.02 . 1 . . . . 80 LEU HD1 . 17766 1 790 . 1 1 80 80 LEU HD21 H 1 0.72 0.02 . 1 . . . . 80 LEU HD2 . 17766 1 791 . 1 1 80 80 LEU HD22 H 1 0.72 0.02 . 1 . . . . 80 LEU HD2 . 17766 1 792 . 1 1 80 80 LEU HD23 H 1 0.72 0.02 . 1 . . . . 80 LEU HD2 . 17766 1 793 . 1 1 80 80 LEU C C 13 175.1 0.40 . 1 . . . . 80 LEU C . 17766 1 794 . 1 1 80 80 LEU CA C 13 54.98 0.40 . 1 . . . . 80 LEU CA . 17766 1 795 . 1 1 80 80 LEU CB C 13 41.00 0.40 . 1 . . . . 80 LEU CB . 17766 1 796 . 1 1 80 80 LEU N N 15 121.1 0.40 . 1 . . . . 80 LEU N . 17766 1 797 . 1 1 81 81 SER H H 1 7.96 0.02 . 1 . . . . 81 SER H . 17766 1 798 . 1 1 81 81 SER HA H 1 4.21 0.40 . 1 . . . . 81 SER HA . 17766 1 799 . 1 1 81 81 SER HB2 H 1 3.61 0.02 . 1 . . . . 81 SER HB2 . 17766 1 800 . 1 1 81 81 SER HB3 H 1 3.54 0.02 . 1 . . . . 81 SER HB3 . 17766 1 801 . 1 1 81 81 SER HG H 1 1.53 0.02 . 1 . . . . 81 SER HG . 17766 1 802 . 1 1 81 81 SER CA C 13 58.00 0.40 . 1 . . . . 81 SER CA . 17766 1 803 . 1 1 81 81 SER CB C 13 62.67 0.40 . 1 . . . . 81 SER CB . 17766 1 804 . 1 1 81 81 SER N N 15 115.3 0.40 . 1 . . . . 81 SER N . 17766 1 805 . 1 1 82 82 GLU H H 1 8.18 0.02 . 1 . . . . 82 GLU H . 17766 1 806 . 1 1 82 82 GLU HA H 1 4.12 0.40 . 1 . . . . 82 GLU HA . 17766 1 807 . 1 1 82 82 GLU HB2 H 1 2.16 0.02 . 1 . . . . 82 GLU HB2 . 17766 1 808 . 1 1 82 82 GLU HB3 H 1 2.15 0.02 . 1 . . . . 82 GLU HB3 . 17766 1 809 . 1 1 82 82 GLU HG2 H 1 2.15 0.02 . 1 . . . . 82 GLU HG2 . 17766 1 810 . 1 1 82 82 GLU HG3 H 1 2.16 0.02 . 1 . . . . 82 GLU HG3 . 17766 1 811 . 1 1 82 82 GLU C C 13 174.4 0.40 . 1 . . . . 82 GLU C . 17766 1 812 . 1 1 82 82 GLU CA C 13 55.94 0.40 . 1 . . . . 82 GLU CA . 17766 1 813 . 1 1 82 82 GLU CB C 13 29.09 0.40 . 1 . . . . 82 GLU CB . 17766 1 814 . 1 1 82 82 GLU N N 15 122.3 0.40 . 1 . . . . 82 GLU N . 17766 1 815 . 1 1 83 83 GLU H H 1 8.06 0.02 . 1 . . . . 83 GLU H . 17766 1 816 . 1 1 83 83 GLU HA H 1 4.12 0.40 . 1 . . . . 83 GLU HA . 17766 1 817 . 1 1 83 83 GLU HB2 H 1 2.16 0.02 . 1 . . . . 83 GLU HB2 . 17766 1 818 . 1 1 83 83 GLU HB3 H 1 2.15 0.02 . 1 . . . . 83 GLU HB3 . 17766 1 819 . 1 1 83 83 GLU HG2 H 1 2.16 0.02 . 1 . . . . 83 GLU HG2 . 17766 1 820 . 1 1 83 83 GLU HG3 H 1 2.16 0.02 . 1 . . . . 83 GLU HG3 . 17766 1 821 . 1 1 83 83 GLU C C 13 173.2 0.40 . 1 . . . . 83 GLU C . 17766 1 822 . 1 1 83 83 GLU CA C 13 56.65 0.40 . 1 . . . . 83 GLU CA . 17766 1 823 . 1 1 83 83 GLU CB C 13 30.24 0.40 . 1 . . . . 83 GLU CB . 17766 1 824 . 1 1 83 83 GLU N N 15 120.5 0.40 . 1 . . . . 83 GLU N . 17766 1 825 . 1 1 84 84 ALA H H 1 8.06 0.02 . 1 . . . . 84 ALA H . 17766 1 826 . 1 1 84 84 ALA HA H 1 4.04 0.40 . 1 . . . . 84 ALA HA . 17766 1 827 . 1 1 84 84 ALA HB1 H 1 1.24 0.02 . 1 . . . . 84 ALA HB . 17766 1 828 . 1 1 84 84 ALA HB2 H 1 1.24 0.02 . 1 . . . . 84 ALA HB . 17766 1 829 . 1 1 84 84 ALA HB3 H 1 1.24 0.02 . 1 . . . . 84 ALA HB . 17766 1 830 . 1 1 84 84 ALA C C 13 175.0 0.40 . 1 . . . . 84 ALA C . 17766 1 831 . 1 1 84 84 ALA CA C 13 51.56 0.40 . 1 . . . . 84 ALA CA . 17766 1 832 . 1 1 84 84 ALA CB C 13 18.23 0.40 . 1 . . . . 84 ALA CB . 17766 1 833 . 1 1 84 84 ALA N N 15 124.6 0.40 . 1 . . . . 84 ALA N . 17766 1 834 . 1 1 85 85 LEU H H 1 7.78 0.02 . 1 . . . . 85 LEU H . 17766 1 835 . 1 1 85 85 LEU HA H 1 4.19 0.40 . 1 . . . . 85 LEU HA . 17766 1 836 . 1 1 85 85 LEU HD11 H 1 0.76 0.02 . 1 . . . . 85 LEU HD1 . 17766 1 837 . 1 1 85 85 LEU HD12 H 1 0.76 0.02 . 1 . . . . 85 LEU HD1 . 17766 1 838 . 1 1 85 85 LEU HD13 H 1 0.76 0.02 . 1 . . . . 85 LEU HD1 . 17766 1 839 . 1 1 85 85 LEU HD21 H 1 0.76 0.02 . 1 . . . . 85 LEU HD2 . 17766 1 840 . 1 1 85 85 LEU HD22 H 1 0.76 0.02 . 1 . . . . 85 LEU HD2 . 17766 1 841 . 1 1 85 85 LEU HD23 H 1 0.76 0.02 . 1 . . . . 85 LEU HD2 . 17766 1 842 . 1 1 85 85 LEU C C 13 174.0 0.40 . 1 . . . . 85 LEU C . 17766 1 843 . 1 1 85 85 LEU CA C 13 55.35 0.40 . 1 . . . . 85 LEU CA . 17766 1 844 . 1 1 85 85 LEU CB C 13 42.21 0.40 . 1 . . . . 85 LEU CB . 17766 1 845 . 1 1 85 85 LEU N N 15 121.0 0.40 . 1 . . . . 85 LEU N . 17766 1 846 . 1 1 86 86 PRO HA H 1 4.39 0.40 . 1 . . . . 86 PRO HA . 17766 1 847 . 1 1 86 86 PRO HB2 H 1 2.27 0.02 . 1 . . . . 86 PRO HB2 . 17766 1 848 . 1 1 86 86 PRO HB3 H 1 2.19 0.02 . 1 . . . . 86 PRO HB3 . 17766 1 849 . 1 1 86 86 PRO HG2 H 1 1.92 0.02 . 1 . . . . 86 PRO HG2 . 17766 1 850 . 1 1 86 86 PRO HG3 H 1 1.77 0.02 . 1 . . . . 86 PRO HG3 . 17766 1 851 . 1 1 86 86 PRO HD2 H 1 3.52 0.02 . 1 . . . . 86 PRO HD2 . 17766 1 852 . 1 1 86 86 PRO HD3 H 1 3.73 0.02 . 1 . . . . 86 PRO HD3 . 17766 1 853 . 1 1 86 86 PRO C C 13 174.0 0.40 . 1 . . . . 86 PRO C . 17766 1 854 . 1 1 86 86 PRO CA C 13 62.90 0.40 . 1 . . . . 86 PRO CA . 17766 1 855 . 1 1 86 86 PRO CB C 13 31.97 0.40 . 1 . . . . 86 PRO CB . 17766 1 856 . 1 1 87 87 ALA H H 1 8.23 0.02 . 1 . . . . 87 ALA H . 17766 1 857 . 1 1 87 87 ALA HA H 1 4.02 0.40 . 1 . . . . 87 ALA HA . 17766 1 858 . 1 1 87 87 ALA HB1 H 1 1.26 0.02 . 1 . . . . 87 ALA HB . 17766 1 859 . 1 1 87 87 ALA HB2 H 1 1.26 0.02 . 1 . . . . 87 ALA HB . 17766 1 860 . 1 1 87 87 ALA HB3 H 1 1.26 0.02 . 1 . . . . 87 ALA HB . 17766 1 861 . 1 1 87 87 ALA C C 13 174.0 0.40 . 1 . . . . 87 ALA C . 17766 1 862 . 1 1 87 87 ALA CA C 13 51.99 0.40 . 1 . . . . 87 ALA CA . 17766 1 863 . 1 1 87 87 ALA CB C 13 18.86 0.40 . 1 . . . . 87 ALA CB . 17766 1 864 . 1 1 87 87 ALA N N 15 124.2 0.40 . 1 . . . . 87 ALA N . 17766 1 865 . 1 1 88 88 ILE H H 1 8.03 0.02 . 1 . . . . 88 ILE H . 17766 1 866 . 1 1 88 88 ILE HA H 1 4.01 0.02 . 1 . . . . 88 ILE HA . 17766 1 867 . 1 1 88 88 ILE HB H 1 1.77 0.02 . 1 . . . . 88 ILE HB . 17766 1 868 . 1 1 88 88 ILE HG12 H 1 1.38 0.02 . 1 . . . . 88 ILE HG12 . 17766 1 869 . 1 1 88 88 ILE HG13 H 1 1.38 0.02 . 1 . . . . 88 ILE HG13 . 17766 1 870 . 1 1 88 88 ILE HG21 H 1 0.72 0.02 . 1 . . . . 88 ILE HD . 17766 1 871 . 1 1 88 88 ILE HG22 H 1 0.72 0.02 . 1 . . . . 88 ILE HD . 17766 1 872 . 1 1 88 88 ILE HG23 H 1 0.72 0.02 . 1 . . . . 88 ILE HD . 17766 1 873 . 1 1 88 88 ILE C C 13 173.3 0.40 . 1 . . . . 88 ILE C . 17766 1 874 . 1 1 88 88 ILE CA C 13 62.06 0.40 . 1 . . . . 88 ILE CA . 17766 1 875 . 1 1 88 88 ILE CB C 13 38.57 0.40 . 1 . . . . 88 ILE CB . 17766 1 876 . 1 1 88 88 ILE N N 15 120.8 0.40 . 1 . . . . 88 ILE N . 17766 1 877 . 1 1 89 89 ARG H H 1 8.39 0.02 . 1 . . . . 89 ARG H . 17766 1 878 . 1 1 89 89 ARG HA H 1 4.03 0.02 . 1 . . . . 89 ARG HA . 17766 1 879 . 1 1 89 89 ARG HB2 H 1 1.74 0.02 . 1 . . . . 89 ARG HB2 . 17766 1 880 . 1 1 89 89 ARG HB3 H 1 1.74 0.02 . 1 . . . . 89 ARG HB3 . 17766 1 881 . 1 1 89 89 ARG HG2 H 1 1.64 0.02 . 1 . . . . 89 ARG HG2 . 17766 1 882 . 1 1 89 89 ARG HG3 H 1 1.59 0.02 . 1 . . . . 89 ARG HG3 . 17766 1 883 . 1 1 89 89 ARG C C 13 172.5 0.40 . 1 . . . . 89 ARG C . 17766 1 884 . 1 1 89 89 ARG CA C 13 56.15 0.40 . 1 . . . . 89 ARG CA . 17766 1 885 . 1 1 89 89 ARG CB C 13 29.30 0.40 . 1 . . . . 89 ARG CB . 17766 1 886 . 1 1 89 89 ARG N N 15 125.5 0.40 . 1 . . . . 89 ARG N . 17766 1 887 . 1 1 90 90 LEU H H 1 8.06 0.02 . 1 . . . . 90 LEU H . 17766 1 888 . 1 1 90 90 LEU HA H 1 4.16 0.02 . 1 . . . . 90 LEU HA . 17766 1 889 . 1 1 90 90 LEU HB2 H 1 1.52 0.02 . 1 . . . . 90 LEU HB2 . 17766 1 890 . 1 1 90 90 LEU HB3 H 1 1.52 0.02 . 1 . . . . 90 LEU HB3 . 17766 1 891 . 1 1 90 90 LEU HG H 1 1.52 0.02 . 1 . . . . 90 LEU HG . 17766 1 892 . 1 1 90 90 LEU HD11 H 1 0.80 0.02 . 1 . . . . 90 LEU HD1 . 17766 1 893 . 1 1 90 90 LEU HD12 H 1 0.80 0.02 . 1 . . . . 90 LEU HD1 . 17766 1 894 . 1 1 90 90 LEU HD13 H 1 0.80 0.02 . 1 . . . . 90 LEU HD1 . 17766 1 895 . 1 1 90 90 LEU HD21 H 1 0.80 0.02 . 1 . . . . 90 LEU HD2 . 17766 1 896 . 1 1 90 90 LEU HD22 H 1 0.80 0.02 . 1 . . . . 90 LEU HD2 . 17766 1 897 . 1 1 90 90 LEU HD23 H 1 0.80 0.02 . 1 . . . . 90 LEU HD2 . 17766 1 898 . 1 1 90 90 LEU C C 13 174.2 0.40 . 1 . . . . 90 LEU C . 17766 1 899 . 1 1 90 90 LEU CA C 13 55.25 0.40 . 1 . . . . 90 LEU CA . 17766 1 900 . 1 1 90 90 LEU CB C 13 42.20 0.40 . 1 . . . . 90 LEU CB . 17766 1 901 . 1 1 90 90 LEU N N 15 120.5 0.40 . 1 . . . . 90 LEU N . 17766 1 902 . 1 1 91 91 GLU H H 1 8.24 0.02 . 1 . . . . 91 GLU H . 17766 1 903 . 1 1 91 91 GLU HA H 1 4.23 0.02 . 1 . . . . 91 GLU HA . 17766 1 904 . 1 1 91 91 GLU HB2 H 1 2.12 0.02 . 1 . . . . 91 GLU HB2 . 17766 1 905 . 1 1 91 91 GLU HB3 H 1 2.13 0.02 . 1 . . . . 91 GLU HB3 . 17766 1 906 . 1 1 91 91 GLU HG2 H 1 2.13 0.02 . 1 . . . . 91 GLU HG2 . 17766 1 907 . 1 1 91 91 GLU HG3 H 1 2.14 0.02 . 1 . . . . 91 GLU HG3 . 17766 1 908 . 1 1 91 91 GLU C C 13 173.2 0.40 . 1 . . . . 91 GLU C . 17766 1 909 . 1 1 91 91 GLU CA C 13 56.17 0.40 . 1 . . . . 91 GLU CA . 17766 1 910 . 1 1 91 91 GLU CB C 13 29.15 0.40 . 1 . . . . 91 GLU CB . 17766 1 911 . 1 1 91 91 GLU N N 15 121.1 0.40 . 1 . . . . 91 GLU N . 17766 1 912 . 1 1 92 92 LEU H H 1 7.79 0.02 . 1 . . . . 92 LEU H . 17766 1 913 . 1 1 92 92 LEU HA H 1 4.24 0.02 . 1 . . . . 92 LEU HA . 17766 1 914 . 1 1 92 92 LEU HB2 H 1 1.44 0.02 . 1 . . . . 92 LEU HB2 . 17766 1 915 . 1 1 92 92 LEU HB3 H 1 1.44 0.02 . 1 . . . . 92 LEU HB3 . 17766 1 916 . 1 1 92 92 LEU HG H 1 1.44 0.02 . 1 . . . . 92 LEU HG . 17766 1 917 . 1 1 92 92 LEU HD11 H 1 0.75 0.02 . 1 . . . . 92 LEU HD1 . 17766 1 918 . 1 1 92 92 LEU HD12 H 1 0.75 0.02 . 1 . . . . 92 LEU HD1 . 17766 1 919 . 1 1 92 92 LEU HD13 H 1 0.75 0.02 . 1 . . . . 92 LEU HD1 . 17766 1 920 . 1 1 92 92 LEU HD21 H 1 0.75 0.02 . 1 . . . . 92 LEU HD2 . 17766 1 921 . 1 1 92 92 LEU HD22 H 1 0.75 0.02 . 1 . . . . 92 LEU HD2 . 17766 1 922 . 1 1 92 92 LEU HD23 H 1 0.75 0.02 . 1 . . . . 92 LEU HD2 . 17766 1 923 . 1 1 92 92 LEU C C 13 174.0 0.40 . 1 . . . . 92 LEU C . 17766 1 924 . 1 1 92 92 LEU CA C 13 55.30 0.40 . 1 . . . . 92 LEU CA . 17766 1 925 . 1 1 92 92 LEU CB C 13 42.19 0.40 . 1 . . . . 92 LEU CB . 17766 1 926 . 1 1 92 92 LEU N N 15 129.2 0.40 . 1 . . . . 92 LEU N . 17766 1 stop_ save_