data_34344 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34344 _Entry.Title ; NMR structure of BB_P28, Borrelia burgdorferi outer surface lipoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-21 _Entry.Accession_date 2018-12-21 _Entry.Last_release_date 2019-01-02 _Entry.Original_release_date 2019-01-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.6.0 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34344 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Fridmanis J. . . . 34344 2 M. Otikovs M. . . . 34344 3 K. Brangulis K. . . . 34344 4 K. Jaudzems K. . . . 34344 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Lipoprotein . 34344 'MEMBRANE PROTEIN' . 34344 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34344 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 34344 '15N chemical shifts' 114 34344 '1H chemical shifts' 677 34344 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-01-24 . original BMRB . 34344 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6QBI . 34344 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34344 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR structure of BB_P28, Borrelia Burgdorferi lipoprotein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Fridmans J. . . . 34344 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34344 _Assembly.ID 1 _Assembly.Name 'Surface protein, mlp lipoprotein family' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34344 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 62 62 SG . 1 . 1 CYS 98 98 SG . entity_1 . 62 CYS SG . entity_1 . 98 CYS SG 34344 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34344 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Surface protein, mlp lipoprotein family' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGPKSKEELLREKLSEDQ KTHLDWLKEALGNDGEFDKF LGYDESKIKTALDHIKSELD KCNGNDADQQKTTFKQTVQG ALSGGIDGFGSNNAVTTCGN GS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11038.109 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 34344 1 2 2 ALA . 34344 1 3 3 MET . 34344 1 4 4 GLY . 34344 1 5 5 PRO . 34344 1 6 6 LYS . 34344 1 7 7 SER . 34344 1 8 8 LYS . 34344 1 9 9 GLU . 34344 1 10 10 GLU . 34344 1 11 11 LEU . 34344 1 12 12 LEU . 34344 1 13 13 ARG . 34344 1 14 14 GLU . 34344 1 15 15 LYS . 34344 1 16 16 LEU . 34344 1 17 17 SER . 34344 1 18 18 GLU . 34344 1 19 19 ASP . 34344 1 20 20 GLN . 34344 1 21 21 LYS . 34344 1 22 22 THR . 34344 1 23 23 HIS . 34344 1 24 24 LEU . 34344 1 25 25 ASP . 34344 1 26 26 TRP . 34344 1 27 27 LEU . 34344 1 28 28 LYS . 34344 1 29 29 GLU . 34344 1 30 30 ALA . 34344 1 31 31 LEU . 34344 1 32 32 GLY . 34344 1 33 33 ASN . 34344 1 34 34 ASP . 34344 1 35 35 GLY . 34344 1 36 36 GLU . 34344 1 37 37 PHE . 34344 1 38 38 ASP . 34344 1 39 39 LYS . 34344 1 40 40 PHE . 34344 1 41 41 LEU . 34344 1 42 42 GLY . 34344 1 43 43 TYR . 34344 1 44 44 ASP . 34344 1 45 45 GLU . 34344 1 46 46 SER . 34344 1 47 47 LYS . 34344 1 48 48 ILE . 34344 1 49 49 LYS . 34344 1 50 50 THR . 34344 1 51 51 ALA . 34344 1 52 52 LEU . 34344 1 53 53 ASP . 34344 1 54 54 HIS . 34344 1 55 55 ILE . 34344 1 56 56 LYS . 34344 1 57 57 SER . 34344 1 58 58 GLU . 34344 1 59 59 LEU . 34344 1 60 60 ASP . 34344 1 61 61 LYS . 34344 1 62 62 CYS . 34344 1 63 63 ASN . 34344 1 64 64 GLY . 34344 1 65 65 ASN . 34344 1 66 66 ASP . 34344 1 67 67 ALA . 34344 1 68 68 ASP . 34344 1 69 69 GLN . 34344 1 70 70 GLN . 34344 1 71 71 LYS . 34344 1 72 72 THR . 34344 1 73 73 THR . 34344 1 74 74 PHE . 34344 1 75 75 LYS . 34344 1 76 76 GLN . 34344 1 77 77 THR . 34344 1 78 78 VAL . 34344 1 79 79 GLN . 34344 1 80 80 GLY . 34344 1 81 81 ALA . 34344 1 82 82 LEU . 34344 1 83 83 SER . 34344 1 84 84 GLY . 34344 1 85 85 GLY . 34344 1 86 86 ILE . 34344 1 87 87 ASP . 34344 1 88 88 GLY . 34344 1 89 89 PHE . 34344 1 90 90 GLY . 34344 1 91 91 SER . 34344 1 92 92 ASN . 34344 1 93 93 ASN . 34344 1 94 94 ALA . 34344 1 95 95 VAL . 34344 1 96 96 THR . 34344 1 97 97 THR . 34344 1 98 98 CYS . 34344 1 99 99 GLY . 34344 1 100 100 ASN . 34344 1 101 101 GLY . 34344 1 102 102 SER . 34344 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34344 1 . ALA 2 2 34344 1 . MET 3 3 34344 1 . GLY 4 4 34344 1 . PRO 5 5 34344 1 . LYS 6 6 34344 1 . SER 7 7 34344 1 . LYS 8 8 34344 1 . GLU 9 9 34344 1 . GLU 10 10 34344 1 . LEU 11 11 34344 1 . LEU 12 12 34344 1 . ARG 13 13 34344 1 . GLU 14 14 34344 1 . LYS 15 15 34344 1 . LEU 16 16 34344 1 . SER 17 17 34344 1 . GLU 18 18 34344 1 . ASP 19 19 34344 1 . GLN 20 20 34344 1 . LYS 21 21 34344 1 . THR 22 22 34344 1 . HIS 23 23 34344 1 . LEU 24 24 34344 1 . ASP 25 25 34344 1 . TRP 26 26 34344 1 . LEU 27 27 34344 1 . LYS 28 28 34344 1 . GLU 29 29 34344 1 . ALA 30 30 34344 1 . LEU 31 31 34344 1 . GLY 32 32 34344 1 . ASN 33 33 34344 1 . ASP 34 34 34344 1 . GLY 35 35 34344 1 . GLU 36 36 34344 1 . PHE 37 37 34344 1 . ASP 38 38 34344 1 . LYS 39 39 34344 1 . PHE 40 40 34344 1 . LEU 41 41 34344 1 . GLY 42 42 34344 1 . TYR 43 43 34344 1 . ASP 44 44 34344 1 . GLU 45 45 34344 1 . SER 46 46 34344 1 . LYS 47 47 34344 1 . ILE 48 48 34344 1 . LYS 49 49 34344 1 . THR 50 50 34344 1 . ALA 51 51 34344 1 . LEU 52 52 34344 1 . ASP 53 53 34344 1 . HIS 54 54 34344 1 . ILE 55 55 34344 1 . LYS 56 56 34344 1 . SER 57 57 34344 1 . GLU 58 58 34344 1 . LEU 59 59 34344 1 . ASP 60 60 34344 1 . LYS 61 61 34344 1 . CYS 62 62 34344 1 . ASN 63 63 34344 1 . GLY 64 64 34344 1 . ASN 65 65 34344 1 . ASP 66 66 34344 1 . ALA 67 67 34344 1 . ASP 68 68 34344 1 . GLN 69 69 34344 1 . GLN 70 70 34344 1 . LYS 71 71 34344 1 . THR 72 72 34344 1 . THR 73 73 34344 1 . PHE 74 74 34344 1 . LYS 75 75 34344 1 . GLN 76 76 34344 1 . THR 77 77 34344 1 . VAL 78 78 34344 1 . GLN 79 79 34344 1 . GLY 80 80 34344 1 . ALA 81 81 34344 1 . LEU 82 82 34344 1 . SER 83 83 34344 1 . GLY 84 84 34344 1 . GLY 85 85 34344 1 . ILE 86 86 34344 1 . ASP 87 87 34344 1 . GLY 88 88 34344 1 . PHE 89 89 34344 1 . GLY 90 90 34344 1 . SER 91 91 34344 1 . ASN 92 92 34344 1 . ASN 93 93 34344 1 . ALA 94 94 34344 1 . VAL 95 95 34344 1 . THR 96 96 34344 1 . THR 97 97 34344 1 . CYS 98 98 34344 1 . GLY 99 99 34344 1 . ASN 100 100 34344 1 . GLY 101 101 34344 1 . SER 102 102 34344 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 34344 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 224326 organism . 'Borrelia burgdorferi (strain ATCC 35210 / B31 / CIP 102532 / DSM 4680)' 'Borreliella burgdorferi' . . Bacteria . Borreliella 'Borreliella burgdorferi' 'ATCC 35210 / B31 / CIP 102532 / DSM 4680' . . . . . . . . . . 'mlpA, BB_P28' . 34344 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 34344 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34344 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34344 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM U-C13, N15 BB_P28, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 34344 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 34344 1 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . '% w/v' 0.0001 . . . 34344 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM 0.01 . . . 34344 1 5 BB_P28 '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . mM 0.1 . . . 34344 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 34344 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.08 0.01 M 34344 1 pH 6.8 0.1 pH 34344 1 pressure 1 . atm 34344 1 temperature 298 0.1 K 34344 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34344 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34344 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34344 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34344 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34344 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34344 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34344 _Software.ID 3 _Software.Type . _Software.Name CANDID _Software.Version 2.02 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 34344 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34344 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34344 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version 1.8.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34344 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34344 4 . 'peak picking' 34344 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34344 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34344 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34344 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34344 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _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 34344 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian UNITY . 600 . . . 34344 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 34344 _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 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34344 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34344 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34344 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34344 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34344 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34344 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34344 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34344 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34344 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.77 internal indirect 0.25144953 . . . . . 34344 1 H 1 water protons . . . . ppm 4.77 internal direct 1.0 . . . . . 34344 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.10132912 . . . . . 34344 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34344 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aliphatic' . . . 34344 1 2 '3D 1H-13C NOESY aromatic' . . . 34344 1 3 '3D 1H-15N NOESY' . . . 34344 1 4 '3D HNCO' . . . 34344 1 5 '3D HNCA' . . . 34344 1 6 '3D HN(CO)CA' . . . 34344 1 7 '3D HNCACB' . . . 34344 1 8 '3D CBCA(CO)NH' . . . 34344 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET H H 1 8.503 0.020 . 1 . . . . A 3 MET H . 34344 1 2 . 1 . 1 3 3 MET HA H 1 4.537 0.020 . 1 . . . . A 3 MET HA . 34344 1 3 . 1 . 1 3 3 MET HB2 H 1 2.146 0.020 . 1 . . . . A 3 MET HB2 . 34344 1 4 . 1 . 1 3 3 MET HB3 H 1 2.146 0.020 . 1 . . . . A 3 MET HB3 . 34344 1 5 . 1 . 1 3 3 MET HG2 H 1 2.576 0.020 . 2 . . . . A 3 MET HG2 . 34344 1 6 . 1 . 1 3 3 MET HG3 H 1 2.640 0.020 . 2 . . . . A 3 MET HG3 . 34344 1 7 . 1 . 1 3 3 MET CA C 13 55.236 0.3 . 1 . . . . A 3 MET CA . 34344 1 8 . 1 . 1 3 3 MET CG C 13 31.968 0.3 . 1 . . . . A 3 MET CG . 34344 1 9 . 1 . 1 3 3 MET N N 15 119.766 0.3 . 1 . . . . A 3 MET N . 34344 1 10 . 1 . 1 4 4 GLY H H 1 8.236 0.020 . 1 . . . . A 4 GLY H . 34344 1 11 . 1 . 1 4 4 GLY HA2 H 1 4.149 0.020 . 2 . . . . A 4 GLY HA2 . 34344 1 12 . 1 . 1 4 4 GLY HA3 H 1 4.050 0.020 . 2 . . . . A 4 GLY HA3 . 34344 1 13 . 1 . 1 4 4 GLY CA C 13 44.446 0.3 . 1 . . . . A 4 GLY CA . 34344 1 14 . 1 . 1 4 4 GLY N N 15 110.572 0.3 . 1 . . . . A 4 GLY N . 34344 1 15 . 1 . 1 5 5 PRO HA H 1 4.433 0.020 . 1 . . . . A 5 PRO HA . 34344 1 16 . 1 . 1 5 5 PRO HB2 H 1 1.917 0.020 . 2 . . . . A 5 PRO HB2 . 34344 1 17 . 1 . 1 5 5 PRO HB3 H 1 2.260 0.020 . 2 . . . . A 5 PRO HB3 . 34344 1 18 . 1 . 1 5 5 PRO HG2 H 1 2.006 0.020 . 1 . . . . A 5 PRO HG2 . 34344 1 19 . 1 . 1 5 5 PRO HG3 H 1 2.006 0.020 . 1 . . . . A 5 PRO HG3 . 34344 1 20 . 1 . 1 5 5 PRO HD2 H 1 3.619 0.020 . 1 . . . . A 5 PRO HD2 . 34344 1 21 . 1 . 1 5 5 PRO HD3 H 1 3.619 0.020 . 1 . . . . A 5 PRO HD3 . 34344 1 22 . 1 . 1 5 5 PRO CA C 13 62.944 0.3 . 1 . . . . A 5 PRO CA . 34344 1 23 . 1 . 1 5 5 PRO CB C 13 32.154 0.3 . 1 . . . . A 5 PRO CB . 34344 1 24 . 1 . 1 5 5 PRO CG C 13 27.073 0.3 . 1 . . . . A 5 PRO CG . 34344 1 25 . 1 . 1 5 5 PRO CD C 13 49.704 0.3 . 1 . . . . A 5 PRO CD . 34344 1 26 . 1 . 1 6 6 LYS H H 1 8.310 0.020 . 1 . . . . A 6 LYS H . 34344 1 27 . 1 . 1 6 6 LYS HA H 1 4.411 0.020 . 1 . . . . A 6 LYS HA . 34344 1 28 . 1 . 1 6 6 LYS HB2 H 1 1.720 0.020 . 2 . . . . A 6 LYS HB2 . 34344 1 29 . 1 . 1 6 6 LYS HB3 H 1 1.680 0.020 . 2 . . . . A 6 LYS HB3 . 34344 1 30 . 1 . 1 6 6 LYS HG2 H 1 1.522 0.020 . 2 . . . . A 6 LYS HG2 . 34344 1 31 . 1 . 1 6 6 LYS HG3 H 1 1.446 0.020 . 2 . . . . A 6 LYS HG3 . 34344 1 32 . 1 . 1 6 6 LYS HD2 H 1 1.585 0.020 . 1 . . . . A 6 LYS HD2 . 34344 1 33 . 1 . 1 6 6 LYS HD3 H 1 1.585 0.020 . 1 . . . . A 6 LYS HD3 . 34344 1 34 . 1 . 1 6 6 LYS HE2 H 1 2.943 0.020 . 1 . . . . A 6 LYS HE2 . 34344 1 35 . 1 . 1 6 6 LYS HE3 H 1 2.943 0.020 . 1 . . . . A 6 LYS HE3 . 34344 1 36 . 1 . 1 6 6 LYS C C 13 176.463 0.3 . 1 . . . . A 6 LYS C . 34344 1 37 . 1 . 1 6 6 LYS CA C 13 56.222 0.3 . 1 . . . . A 6 LYS CA . 34344 1 38 . 1 . 1 6 6 LYS CB C 13 34.247 0.3 . 1 . . . . A 6 LYS CB . 34344 1 39 . 1 . 1 6 6 LYS CG C 13 25.664 0.3 . 1 . . . . A 6 LYS CG . 34344 1 40 . 1 . 1 6 6 LYS CD C 13 29.685 0.3 . 1 . . . . A 6 LYS CD . 34344 1 41 . 1 . 1 6 6 LYS CE C 13 42.176 0.3 . 1 . . . . A 6 LYS CE . 34344 1 42 . 1 . 1 6 6 LYS N N 15 121.798 0.3 . 1 . . . . A 6 LYS N . 34344 1 43 . 1 . 1 7 7 SER H H 1 8.823 0.020 . 1 . . . . A 7 SER H . 34344 1 44 . 1 . 1 7 7 SER HA H 1 4.435 0.020 . 1 . . . . A 7 SER HA . 34344 1 45 . 1 . 1 7 7 SER HB2 H 1 4.464 0.020 . 2 . . . . A 7 SER HB2 . 34344 1 46 . 1 . 1 7 7 SER HB3 H 1 4.044 0.020 . 2 . . . . A 7 SER HB3 . 34344 1 47 . 1 . 1 7 7 SER C C 13 174.317 0.3 . 1 . . . . A 7 SER C . 34344 1 48 . 1 . 1 7 7 SER CA C 13 57.218 0.3 . 1 . . . . A 7 SER CA . 34344 1 49 . 1 . 1 7 7 SER CB C 13 65.256 0.3 . 1 . . . . A 7 SER CB . 34344 1 50 . 1 . 1 7 7 SER N N 15 118.914 0.3 . 1 . . . . A 7 SER N . 34344 1 51 . 1 . 1 8 8 LYS H H 1 8.758 0.020 . 1 . . . . A 8 LYS H . 34344 1 52 . 1 . 1 8 8 LYS HA H 1 3.952 0.020 . 1 . . . . A 8 LYS HA . 34344 1 53 . 1 . 1 8 8 LYS HB2 H 1 1.866 0.020 . 2 . . . . A 8 LYS HB2 . 34344 1 54 . 1 . 1 8 8 LYS HB3 H 1 1.765 0.020 . 2 . . . . A 8 LYS HB3 . 34344 1 55 . 1 . 1 8 8 LYS HG2 H 1 1.435 0.020 . 2 . . . . A 8 LYS HG2 . 34344 1 56 . 1 . 1 8 8 LYS HG3 H 1 1.570 0.020 . 2 . . . . A 8 LYS HG3 . 34344 1 57 . 1 . 1 8 8 LYS HD2 H 1 1.636 0.020 . 1 . . . . A 8 LYS HD2 . 34344 1 58 . 1 . 1 8 8 LYS HD3 H 1 1.636 0.020 . 1 . . . . A 8 LYS HD3 . 34344 1 59 . 1 . 1 8 8 LYS HE2 H 1 2.898 0.020 . 2 . . . . A 8 LYS HE2 . 34344 1 60 . 1 . 1 8 8 LYS HE3 H 1 2.920 0.020 . 2 . . . . A 8 LYS HE3 . 34344 1 61 . 1 . 1 8 8 LYS C C 13 179.613 0.3 . 1 . . . . A 8 LYS C . 34344 1 62 . 1 . 1 8 8 LYS CA C 13 59.899 0.3 . 1 . . . . A 8 LYS CA . 34344 1 63 . 1 . 1 8 8 LYS CB C 13 32.508 0.3 . 1 . . . . A 8 LYS CB . 34344 1 64 . 1 . 1 8 8 LYS CG C 13 25.320 0.3 . 1 . . . . A 8 LYS CG . 34344 1 65 . 1 . 1 8 8 LYS CD C 13 29.255 0.3 . 1 . . . . A 8 LYS CD . 34344 1 66 . 1 . 1 8 8 LYS CE C 13 41.795 0.3 . 1 . . . . A 8 LYS CE . 34344 1 67 . 1 . 1 8 8 LYS N N 15 120.996 0.3 . 1 . . . . A 8 LYS N . 34344 1 68 . 1 . 1 9 9 GLU H H 1 8.737 0.020 . 1 . . . . A 9 GLU H . 34344 1 69 . 1 . 1 9 9 GLU HA H 1 3.834 0.020 . 1 . . . . A 9 GLU HA . 34344 1 70 . 1 . 1 9 9 GLU HB2 H 1 1.976 0.020 . 2 . . . . A 9 GLU HB2 . 34344 1 71 . 1 . 1 9 9 GLU HB3 H 1 2.272 0.020 . 2 . . . . A 9 GLU HB3 . 34344 1 72 . 1 . 1 9 9 GLU HG2 H 1 2.249 0.020 . 2 . . . . A 9 GLU HG2 . 34344 1 73 . 1 . 1 9 9 GLU HG3 H 1 2.354 0.020 . 2 . . . . A 9 GLU HG3 . 34344 1 74 . 1 . 1 9 9 GLU C C 13 177.620 0.3 . 1 . . . . A 9 GLU C . 34344 1 75 . 1 . 1 9 9 GLU CA C 13 59.976 0.3 . 1 . . . . A 9 GLU CA . 34344 1 76 . 1 . 1 9 9 GLU CB C 13 29.690 0.3 . 1 . . . . A 9 GLU CB . 34344 1 77 . 1 . 1 9 9 GLU CG C 13 36.477 0.3 . 1 . . . . A 9 GLU CG . 34344 1 78 . 1 . 1 9 9 GLU N N 15 119.687 0.3 . 1 . . . . A 9 GLU N . 34344 1 79 . 1 . 1 10 10 GLU H H 1 7.969 0.020 . 1 . . . . A 10 GLU H . 34344 1 80 . 1 . 1 10 10 GLU HA H 1 3.850 0.020 . 1 . . . . A 10 GLU HA . 34344 1 81 . 1 . 1 10 10 GLU HB2 H 1 1.988 0.020 . 2 . . . . A 10 GLU HB2 . 34344 1 82 . 1 . 1 10 10 GLU HB3 H 1 2.268 0.020 . 2 . . . . A 10 GLU HB3 . 34344 1 83 . 1 . 1 10 10 GLU HG2 H 1 2.271 0.020 . 2 . . . . A 10 GLU HG2 . 34344 1 84 . 1 . 1 10 10 GLU HG3 H 1 2.374 0.020 . 2 . . . . A 10 GLU HG3 . 34344 1 85 . 1 . 1 10 10 GLU C C 13 179.552 0.3 . 1 . . . . A 10 GLU C . 34344 1 86 . 1 . 1 10 10 GLU CA C 13 59.904 0.3 . 1 . . . . A 10 GLU CA . 34344 1 87 . 1 . 1 10 10 GLU CB C 13 29.851 0.3 . 1 . . . . A 10 GLU CB . 34344 1 88 . 1 . 1 10 10 GLU CG C 13 37.030 0.3 . 1 . . . . A 10 GLU CG . 34344 1 89 . 1 . 1 10 10 GLU N N 15 120.284 0.3 . 1 . . . . A 10 GLU N . 34344 1 90 . 1 . 1 11 11 LEU H H 1 8.327 0.020 . 1 . . . . A 11 LEU H . 34344 1 91 . 1 . 1 11 11 LEU HA H 1 3.982 0.020 . 1 . . . . A 11 LEU HA . 34344 1 92 . 1 . 1 11 11 LEU HB2 H 1 1.810 0.020 . 2 . . . . A 11 LEU HB2 . 34344 1 93 . 1 . 1 11 11 LEU HB3 H 1 1.439 0.020 . 2 . . . . A 11 LEU HB3 . 34344 1 94 . 1 . 1 11 11 LEU HG H 1 1.624 0.020 . 1 . . . . A 11 LEU HG . 34344 1 95 . 1 . 1 11 11 LEU HD11 H 1 0.823 0.020 . 2 . . . . A 11 LEU HD11 . 34344 1 96 . 1 . 1 11 11 LEU HD12 H 1 0.823 0.020 . 2 . . . . A 11 LEU HD12 . 34344 1 97 . 1 . 1 11 11 LEU HD13 H 1 0.823 0.020 . 2 . . . . A 11 LEU HD13 . 34344 1 98 . 1 . 1 11 11 LEU HD21 H 1 0.871 0.020 . 2 . . . . A 11 LEU HD21 . 34344 1 99 . 1 . 1 11 11 LEU HD22 H 1 0.871 0.020 . 2 . . . . A 11 LEU HD22 . 34344 1 100 . 1 . 1 11 11 LEU HD23 H 1 0.871 0.020 . 2 . . . . A 11 LEU HD23 . 34344 1 101 . 1 . 1 11 11 LEU C C 13 179.569 0.3 . 1 . . . . A 11 LEU C . 34344 1 102 . 1 . 1 11 11 LEU CA C 13 57.726 0.3 . 1 . . . . A 11 LEU CA . 34344 1 103 . 1 . 1 11 11 LEU CB C 13 41.845 0.3 . 1 . . . . A 11 LEU CB . 34344 1 104 . 1 . 1 11 11 LEU CG C 13 26.838 0.3 . 1 . . . . A 11 LEU CG . 34344 1 105 . 1 . 1 11 11 LEU CD1 C 13 25.407 0.3 . 1 . . . . A 11 LEU CD1 . 34344 1 106 . 1 . 1 11 11 LEU CD2 C 13 23.350 0.3 . 1 . . . . A 11 LEU CD2 . 34344 1 107 . 1 . 1 11 11 LEU N N 15 119.035 0.3 . 1 . . . . A 11 LEU N . 34344 1 108 . 1 . 1 12 12 LEU H H 1 7.727 0.020 . 1 . . . . A 12 LEU H . 34344 1 109 . 1 . 1 12 12 LEU HA H 1 4.225 0.020 . 1 . . . . A 12 LEU HA . 34344 1 110 . 1 . 1 12 12 LEU HB2 H 1 1.906 0.020 . 2 . . . . A 12 LEU HB2 . 34344 1 111 . 1 . 1 12 12 LEU HB3 H 1 1.761 0.020 . 2 . . . . A 12 LEU HB3 . 34344 1 112 . 1 . 1 12 12 LEU HG H 1 1.520 0.020 . 1 . . . . A 12 LEU HG . 34344 1 113 . 1 . 1 12 12 LEU HD11 H 1 1.060 0.020 . 2 . . . . A 12 LEU HD11 . 34344 1 114 . 1 . 1 12 12 LEU HD12 H 1 1.060 0.020 . 2 . . . . A 12 LEU HD12 . 34344 1 115 . 1 . 1 12 12 LEU HD13 H 1 1.060 0.020 . 2 . . . . A 12 LEU HD13 . 34344 1 116 . 1 . 1 12 12 LEU HD21 H 1 0.971 0.020 . 2 . . . . A 12 LEU HD21 . 34344 1 117 . 1 . 1 12 12 LEU HD22 H 1 0.971 0.020 . 2 . . . . A 12 LEU HD22 . 34344 1 118 . 1 . 1 12 12 LEU HD23 H 1 0.971 0.020 . 2 . . . . A 12 LEU HD23 . 34344 1 119 . 1 . 1 12 12 LEU C C 13 179.614 0.3 . 1 . . . . A 12 LEU C . 34344 1 120 . 1 . 1 12 12 LEU CA C 13 57.551 0.3 . 1 . . . . A 12 LEU CA . 34344 1 121 . 1 . 1 12 12 LEU CB C 13 41.015 0.3 . 1 . . . . A 12 LEU CB . 34344 1 122 . 1 . 1 12 12 LEU CG C 13 27.514 0.3 . 1 . . . . A 12 LEU CG . 34344 1 123 . 1 . 1 12 12 LEU CD1 C 13 27.158 0.3 . 1 . . . . A 12 LEU CD1 . 34344 1 124 . 1 . 1 12 12 LEU CD2 C 13 22.090 0.3 . 1 . . . . A 12 LEU CD2 . 34344 1 125 . 1 . 1 12 12 LEU N N 15 119.664 0.3 . 1 . . . . A 12 LEU N . 34344 1 126 . 1 . 1 13 13 ARG H H 1 8.466 0.020 . 1 . . . . A 13 ARG H . 34344 1 127 . 1 . 1 13 13 ARG HA H 1 3.658 0.020 . 1 . . . . A 13 ARG HA . 34344 1 128 . 1 . 1 13 13 ARG HB2 H 1 1.894 0.020 . 2 . . . . A 13 ARG HB2 . 34344 1 129 . 1 . 1 13 13 ARG HB3 H 1 1.966 0.020 . 2 . . . . A 13 ARG HB3 . 34344 1 130 . 1 . 1 13 13 ARG HG2 H 1 1.529 0.020 . 1 . . . . A 13 ARG HG2 . 34344 1 131 . 1 . 1 13 13 ARG HG3 H 1 1.529 0.020 . 1 . . . . A 13 ARG HG3 . 34344 1 132 . 1 . 1 13 13 ARG HD2 H 1 3.332 0.020 . 2 . . . . A 13 ARG HD2 . 34344 1 133 . 1 . 1 13 13 ARG HD3 H 1 3.251 0.020 . 2 . . . . A 13 ARG HD3 . 34344 1 134 . 1 . 1 13 13 ARG HE H 1 8.082 0.020 . 1 . . . . A 13 ARG HE . 34344 1 135 . 1 . 1 13 13 ARG HH11 H 1 6.907 0.020 . 1 . . . . A 13 ARG HH11 . 34344 1 136 . 1 . 1 13 13 ARG HH12 H 1 6.907 0.020 . 1 . . . . A 13 ARG HH12 . 34344 1 137 . 1 . 1 13 13 ARG HH21 H 1 7.027 0.020 . 1 . . . . A 13 ARG HH21 . 34344 1 138 . 1 . 1 13 13 ARG HH22 H 1 7.027 0.020 . 1 . . . . A 13 ARG HH22 . 34344 1 139 . 1 . 1 13 13 ARG C C 13 178.195 0.3 . 1 . . . . A 13 ARG C . 34344 1 140 . 1 . 1 13 13 ARG CA C 13 60.845 0.3 . 1 . . . . A 13 ARG CA . 34344 1 141 . 1 . 1 13 13 ARG CB C 13 30.500 0.3 . 1 . . . . A 13 ARG CB . 34344 1 142 . 1 . 1 13 13 ARG CG C 13 30.613 0.3 . 1 . . . . A 13 ARG CG . 34344 1 143 . 1 . 1 13 13 ARG CD C 13 43.192 0.3 . 1 . . . . A 13 ARG CD . 34344 1 144 . 1 . 1 13 13 ARG N N 15 117.166 0.3 . 1 . . . . A 13 ARG N . 34344 1 145 . 1 . 1 13 13 ARG NE N 15 85.741 0.3 . 1 . . . . A 13 ARG NE . 34344 1 146 . 1 . 1 13 13 ARG NH1 N 15 71.970 0.3 . 1 . . . . A 13 ARG NH1 . 34344 1 147 . 1 . 1 13 13 ARG NH2 N 15 72.047 0.3 . 1 . . . . A 13 ARG NH2 . 34344 1 148 . 1 . 1 14 14 GLU H H 1 7.329 0.020 . 1 . . . . A 14 GLU H . 34344 1 149 . 1 . 1 14 14 GLU HA H 1 4.123 0.020 . 1 . . . . A 14 GLU HA . 34344 1 150 . 1 . 1 14 14 GLU HB2 H 1 2.193 0.020 . 2 . . . . A 14 GLU HB2 . 34344 1 151 . 1 . 1 14 14 GLU HB3 H 1 2.114 0.020 . 2 . . . . A 14 GLU HB3 . 34344 1 152 . 1 . 1 14 14 GLU HG2 H 1 2.683 0.020 . 2 . . . . A 14 GLU HG2 . 34344 1 153 . 1 . 1 14 14 GLU HG3 H 1 2.337 0.020 . 2 . . . . A 14 GLU HG3 . 34344 1 154 . 1 . 1 14 14 GLU C C 13 177.697 0.3 . 1 . . . . A 14 GLU C . 34344 1 155 . 1 . 1 14 14 GLU CA C 13 58.723 0.3 . 1 . . . . A 14 GLU CA . 34344 1 156 . 1 . 1 14 14 GLU CB C 13 29.938 0.3 . 1 . . . . A 14 GLU CB . 34344 1 157 . 1 . 1 14 14 GLU CG C 13 36.440 0.3 . 1 . . . . A 14 GLU CG . 34344 1 158 . 1 . 1 14 14 GLU N N 15 115.022 0.3 . 1 . . . . A 14 GLU N . 34344 1 159 . 1 . 1 15 15 LYS H H 1 7.994 0.020 . 1 . . . . A 15 LYS H . 34344 1 160 . 1 . 1 15 15 LYS HA H 1 4.411 0.020 . 1 . . . . A 15 LYS HA . 34344 1 161 . 1 . 1 15 15 LYS HB2 H 1 2.062 0.020 . 2 . . . . A 15 LYS HB2 . 34344 1 162 . 1 . 1 15 15 LYS HB3 H 1 1.925 0.020 . 2 . . . . A 15 LYS HB3 . 34344 1 163 . 1 . 1 15 15 LYS HG2 H 1 1.647 0.020 . 2 . . . . A 15 LYS HG2 . 34344 1 164 . 1 . 1 15 15 LYS HG3 H 1 1.507 0.020 . 2 . . . . A 15 LYS HG3 . 34344 1 165 . 1 . 1 15 15 LYS HD2 H 1 1.706 0.020 . 2 . . . . A 15 LYS HD2 . 34344 1 166 . 1 . 1 15 15 LYS HD3 H 1 1.652 0.020 . 2 . . . . A 15 LYS HD3 . 34344 1 167 . 1 . 1 15 15 LYS HE2 H 1 3.006 0.020 . 1 . . . . A 15 LYS HE2 . 34344 1 168 . 1 . 1 15 15 LYS HE3 H 1 3.006 0.020 . 1 . . . . A 15 LYS HE3 . 34344 1 169 . 1 . 1 15 15 LYS C C 13 176.203 0.3 . 1 . . . . A 15 LYS C . 34344 1 170 . 1 . 1 15 15 LYS CA C 13 55.606 0.3 . 1 . . . . A 15 LYS CA . 34344 1 171 . 1 . 1 15 15 LYS CB C 13 32.970 0.3 . 1 . . . . A 15 LYS CB . 34344 1 172 . 1 . 1 15 15 LYS CG C 13 24.456 0.3 . 1 . . . . A 15 LYS CG . 34344 1 173 . 1 . 1 15 15 LYS CD C 13 28.831 0.3 . 1 . . . . A 15 LYS CD . 34344 1 174 . 1 . 1 15 15 LYS CE C 13 42.030 0.3 . 1 . . . . A 15 LYS CE . 34344 1 175 . 1 . 1 15 15 LYS N N 15 116.678 0.3 . 1 . . . . A 15 LYS N . 34344 1 176 . 1 . 1 16 16 LEU H H 1 7.221 0.020 . 1 . . . . A 16 LEU H . 34344 1 177 . 1 . 1 16 16 LEU HA H 1 4.718 0.020 . 1 . . . . A 16 LEU HA . 34344 1 178 . 1 . 1 16 16 LEU HB2 H 1 1.958 0.020 . 2 . . . . A 16 LEU HB2 . 34344 1 179 . 1 . 1 16 16 LEU HB3 H 1 1.853 0.020 . 2 . . . . A 16 LEU HB3 . 34344 1 180 . 1 . 1 16 16 LEU HG H 1 2.241 0.020 . 1 . . . . A 16 LEU HG . 34344 1 181 . 1 . 1 16 16 LEU HD11 H 1 0.697 0.020 . 2 . . . . A 16 LEU HD11 . 34344 1 182 . 1 . 1 16 16 LEU HD12 H 1 0.697 0.020 . 2 . . . . A 16 LEU HD12 . 34344 1 183 . 1 . 1 16 16 LEU HD13 H 1 0.697 0.020 . 2 . . . . A 16 LEU HD13 . 34344 1 184 . 1 . 1 16 16 LEU HD21 H 1 0.763 0.020 . 2 . . . . A 16 LEU HD21 . 34344 1 185 . 1 . 1 16 16 LEU HD22 H 1 0.763 0.020 . 2 . . . . A 16 LEU HD22 . 34344 1 186 . 1 . 1 16 16 LEU HD23 H 1 0.763 0.020 . 2 . . . . A 16 LEU HD23 . 34344 1 187 . 1 . 1 16 16 LEU C C 13 177.108 0.3 . 1 . . . . A 16 LEU C . 34344 1 188 . 1 . 1 16 16 LEU CA C 13 53.638 0.3 . 1 . . . . A 16 LEU CA . 34344 1 189 . 1 . 1 16 16 LEU CB C 13 43.445 0.3 . 1 . . . . A 16 LEU CB . 34344 1 190 . 1 . 1 16 16 LEU CG C 13 25.174 0.3 . 1 . . . . A 16 LEU CG . 34344 1 191 . 1 . 1 16 16 LEU CD1 C 13 21.866 0.3 . 1 . . . . A 16 LEU CD1 . 34344 1 192 . 1 . 1 16 16 LEU CD2 C 13 26.878 0.3 . 1 . . . . A 16 LEU CD2 . 34344 1 193 . 1 . 1 16 16 LEU N N 15 118.374 0.3 . 1 . . . . A 16 LEU N . 34344 1 194 . 1 . 1 17 17 SER H H 1 8.884 0.020 . 1 . . . . A 17 SER H . 34344 1 195 . 1 . 1 17 17 SER HA H 1 4.627 0.020 . 1 . . . . A 17 SER HA . 34344 1 196 . 1 . 1 17 17 SER HB2 H 1 4.489 0.020 . 2 . . . . A 17 SER HB2 . 34344 1 197 . 1 . 1 17 17 SER HB3 H 1 3.985 0.020 . 2 . . . . A 17 SER HB3 . 34344 1 198 . 1 . 1 17 17 SER HG H 1 6.062 0.020 . 1 . . . . A 17 SER HG . 34344 1 199 . 1 . 1 17 17 SER C C 13 175.032 0.3 . 1 . . . . A 17 SER C . 34344 1 200 . 1 . 1 17 17 SER CA C 13 56.953 0.3 . 1 . . . . A 17 SER CA . 34344 1 201 . 1 . 1 17 17 SER CB C 13 65.242 0.3 . 1 . . . . A 17 SER CB . 34344 1 202 . 1 . 1 17 17 SER N N 15 117.289 0.3 . 1 . . . . A 17 SER N . 34344 1 203 . 1 . 1 18 18 GLU H H 1 9.049 0.020 . 1 . . . . A 18 GLU H . 34344 1 204 . 1 . 1 18 18 GLU HA H 1 4.016 0.020 . 1 . . . . A 18 GLU HA . 34344 1 205 . 1 . 1 18 18 GLU HB2 H 1 2.162 0.020 . 2 . . . . A 18 GLU HB2 . 34344 1 206 . 1 . 1 18 18 GLU HB3 H 1 2.107 0.020 . 2 . . . . A 18 GLU HB3 . 34344 1 207 . 1 . 1 18 18 GLU HG2 H 1 2.437 0.020 . 1 . . . . A 18 GLU HG2 . 34344 1 208 . 1 . 1 18 18 GLU HG3 H 1 2.437 0.020 . 1 . . . . A 18 GLU HG3 . 34344 1 209 . 1 . 1 18 18 GLU C C 13 179.343 0.3 . 1 . . . . A 18 GLU C . 34344 1 210 . 1 . 1 18 18 GLU CA C 13 60.439 0.3 . 1 . . . . A 18 GLU CA . 34344 1 211 . 1 . 1 18 18 GLU CB C 13 28.962 0.3 . 1 . . . . A 18 GLU CB . 34344 1 212 . 1 . 1 18 18 GLU CG C 13 36.214 0.3 . 1 . . . . A 18 GLU CG . 34344 1 213 . 1 . 1 18 18 GLU N N 15 120.924 0.3 . 1 . . . . A 18 GLU N . 34344 1 214 . 1 . 1 19 19 ASP H H 1 8.627 0.020 . 1 . . . . A 19 ASP H . 34344 1 215 . 1 . 1 19 19 ASP HA H 1 4.603 0.020 . 1 . . . . A 19 ASP HA . 34344 1 216 . 1 . 1 19 19 ASP HB2 H 1 2.566 0.020 . 1 . . . . A 19 ASP HB2 . 34344 1 217 . 1 . 1 19 19 ASP HB3 H 1 2.566 0.020 . 1 . . . . A 19 ASP HB3 . 34344 1 218 . 1 . 1 19 19 ASP C C 13 179.552 0.3 . 1 . . . . A 19 ASP C . 34344 1 219 . 1 . 1 19 19 ASP CA C 13 57.470 0.3 . 1 . . . . A 19 ASP CA . 34344 1 220 . 1 . 1 19 19 ASP CB C 13 40.711 0.3 . 1 . . . . A 19 ASP CB . 34344 1 221 . 1 . 1 19 19 ASP N N 15 117.788 0.3 . 1 . . . . A 19 ASP N . 34344 1 222 . 1 . 1 20 20 GLN H H 1 7.980 0.020 . 1 . . . . A 20 GLN H . 34344 1 223 . 1 . 1 20 20 GLN HA H 1 4.605 0.020 . 1 . . . . A 20 GLN HA . 34344 1 224 . 1 . 1 20 20 GLN HB2 H 1 2.630 0.020 . 2 . . . . A 20 GLN HB2 . 34344 1 225 . 1 . 1 20 20 GLN HB3 H 1 1.934 0.020 . 2 . . . . A 20 GLN HB3 . 34344 1 226 . 1 . 1 20 20 GLN HG2 H 1 2.575 0.020 . 2 . . . . A 20 GLN HG2 . 34344 1 227 . 1 . 1 20 20 GLN HG3 H 1 2.610 0.020 . 2 . . . . A 20 GLN HG3 . 34344 1 228 . 1 . 1 20 20 GLN HE21 H 1 8.518 0.020 . 1 . . . . A 20 GLN HE21 . 34344 1 229 . 1 . 1 20 20 GLN HE22 H 1 6.471 0.020 . 1 . . . . A 20 GLN HE22 . 34344 1 230 . 1 . 1 20 20 GLN C C 13 178.905 0.3 . 1 . . . . A 20 GLN C . 34344 1 231 . 1 . 1 20 20 GLN CA C 13 58.557 0.3 . 1 . . . . A 20 GLN CA . 34344 1 232 . 1 . 1 20 20 GLN CB C 13 28.500 0.3 . 1 . . . . A 20 GLN CB . 34344 1 233 . 1 . 1 20 20 GLN CG C 13 34.203 0.3 . 1 . . . . A 20 GLN CG . 34344 1 234 . 1 . 1 20 20 GLN N N 15 121.871 0.3 . 1 . . . . A 20 GLN N . 34344 1 235 . 1 . 1 20 20 GLN NE2 N 15 112.226 0.3 . 1 . . . . A 20 GLN NE2 . 34344 1 236 . 1 . 1 21 21 LYS H H 1 8.819 0.020 . 1 . . . . A 21 LYS H . 34344 1 237 . 1 . 1 21 21 LYS HA H 1 3.831 0.020 . 1 . . . . A 21 LYS HA . 34344 1 238 . 1 . 1 21 21 LYS HB2 H 1 1.964 0.020 . 2 . . . . A 21 LYS HB2 . 34344 1 239 . 1 . 1 21 21 LYS HB3 H 1 2.151 0.020 . 2 . . . . A 21 LYS HB3 . 34344 1 240 . 1 . 1 21 21 LYS HG2 H 1 1.885 0.020 . 2 . . . . A 21 LYS HG2 . 34344 1 241 . 1 . 1 21 21 LYS HG3 H 1 1.219 0.020 . 2 . . . . A 21 LYS HG3 . 34344 1 242 . 1 . 1 21 21 LYS HD2 H 1 1.699 0.020 . 2 . . . . A 21 LYS HD2 . 34344 1 243 . 1 . 1 21 21 LYS HD3 H 1 1.910 0.020 . 2 . . . . A 21 LYS HD3 . 34344 1 244 . 1 . 1 21 21 LYS HE2 H 1 2.959 0.020 . 1 . . . . A 21 LYS HE2 . 34344 1 245 . 1 . 1 21 21 LYS HE3 H 1 2.959 0.020 . 1 . . . . A 21 LYS HE3 . 34344 1 246 . 1 . 1 21 21 LYS C C 13 178.594 0.3 . 1 . . . . A 21 LYS C . 34344 1 247 . 1 . 1 21 21 LYS CA C 13 61.425 0.3 . 1 . . . . A 21 LYS CA . 34344 1 248 . 1 . 1 21 21 LYS CB C 13 32.497 0.3 . 1 . . . . A 21 LYS CB . 34344 1 249 . 1 . 1 21 21 LYS CG C 13 28.269 0.3 . 1 . . . . A 21 LYS CG . 34344 1 250 . 1 . 1 21 21 LYS CD C 13 29.646 0.3 . 1 . . . . A 21 LYS CD . 34344 1 251 . 1 . 1 21 21 LYS CE C 13 42.306 0.3 . 1 . . . . A 21 LYS CE . 34344 1 252 . 1 . 1 21 21 LYS N N 15 121.406 0.3 . 1 . . . . A 21 LYS N . 34344 1 253 . 1 . 1 22 22 THR H H 1 7.984 0.020 . 1 . . . . A 22 THR H . 34344 1 254 . 1 . 1 22 22 THR HA H 1 4.054 0.020 . 1 . . . . A 22 THR HA . 34344 1 255 . 1 . 1 22 22 THR HB H 1 4.341 0.020 . 1 . . . . A 22 THR HB . 34344 1 256 . 1 . 1 22 22 THR HG21 H 1 0.972 0.020 . 1 . . . . A 22 THR HG21 . 34344 1 257 . 1 . 1 22 22 THR HG22 H 1 0.972 0.020 . 1 . . . . A 22 THR HG22 . 34344 1 258 . 1 . 1 22 22 THR HG23 H 1 0.972 0.020 . 1 . . . . A 22 THR HG23 . 34344 1 259 . 1 . 1 22 22 THR C C 13 177.425 0.3 . 1 . . . . A 22 THR C . 34344 1 260 . 1 . 1 22 22 THR CA C 13 66.005 0.3 . 1 . . . . A 22 THR CA . 34344 1 261 . 1 . 1 22 22 THR CB C 13 68.669 0.3 . 1 . . . . A 22 THR CB . 34344 1 262 . 1 . 1 22 22 THR CG2 C 13 21.443 0.3 . 1 . . . . A 22 THR CG2 . 34344 1 263 . 1 . 1 22 22 THR N N 15 115.534 0.3 . 1 . . . . A 22 THR N . 34344 1 264 . 1 . 1 23 23 HIS H H 1 7.923 0.020 . 1 . . . . A 23 HIS H . 34344 1 265 . 1 . 1 23 23 HIS HA H 1 4.381 0.020 . 1 . . . . A 23 HIS HA . 34344 1 266 . 1 . 1 23 23 HIS HB2 H 1 3.168 0.020 . 2 . . . . A 23 HIS HB2 . 34344 1 267 . 1 . 1 23 23 HIS HB3 H 1 3.131 0.020 . 2 . . . . A 23 HIS HB3 . 34344 1 268 . 1 . 1 23 23 HIS HD2 H 1 6.308 0.020 . 1 . . . . A 23 HIS HD2 . 34344 1 269 . 1 . 1 23 23 HIS HE1 H 1 7.824 0.020 . 1 . . . . A 23 HIS HE1 . 34344 1 270 . 1 . 1 23 23 HIS C C 13 175.732 0.3 . 1 . . . . A 23 HIS C . 34344 1 271 . 1 . 1 23 23 HIS CA C 13 62.994 0.3 . 1 . . . . A 23 HIS CA . 34344 1 272 . 1 . 1 23 23 HIS CB C 13 27.769 0.3 . 1 . . . . A 23 HIS CB . 34344 1 273 . 1 . 1 23 23 HIS CD2 C 13 125.381 0.3 . 1 . . . . A 23 HIS CD2 . 34344 1 274 . 1 . 1 23 23 HIS CE1 C 13 138.406 0.3 . 1 . . . . A 23 HIS CE1 . 34344 1 275 . 1 . 1 23 23 HIS N N 15 120.344 0.3 . 1 . . . . A 23 HIS N . 34344 1 276 . 1 . 1 24 24 LEU H H 1 9.013 0.020 . 1 . . . . A 24 LEU H . 34344 1 277 . 1 . 1 24 24 LEU HA H 1 4.299 0.020 . 1 . . . . A 24 LEU HA . 34344 1 278 . 1 . 1 24 24 LEU HB2 H 1 2.288 0.020 . 2 . . . . A 24 LEU HB2 . 34344 1 279 . 1 . 1 24 24 LEU HB3 H 1 1.571 0.020 . 2 . . . . A 24 LEU HB3 . 34344 1 280 . 1 . 1 24 24 LEU HG H 1 2.060 0.020 . 1 . . . . A 24 LEU HG . 34344 1 281 . 1 . 1 24 24 LEU HD11 H 1 1.046 0.020 . 2 . . . . A 24 LEU HD11 . 34344 1 282 . 1 . 1 24 24 LEU HD12 H 1 1.046 0.020 . 2 . . . . A 24 LEU HD12 . 34344 1 283 . 1 . 1 24 24 LEU HD13 H 1 1.046 0.020 . 2 . . . . A 24 LEU HD13 . 34344 1 284 . 1 . 1 24 24 LEU HD21 H 1 1.231 0.020 . 2 . . . . A 24 LEU HD21 . 34344 1 285 . 1 . 1 24 24 LEU HD22 H 1 1.231 0.020 . 2 . . . . A 24 LEU HD22 . 34344 1 286 . 1 . 1 24 24 LEU HD23 H 1 1.231 0.020 . 2 . . . . A 24 LEU HD23 . 34344 1 287 . 1 . 1 24 24 LEU CA C 13 57.845 0.3 . 1 . . . . A 24 LEU CA . 34344 1 288 . 1 . 1 24 24 LEU CB C 13 40.921 0.3 . 1 . . . . A 24 LEU CB . 34344 1 289 . 1 . 1 24 24 LEU CG C 13 26.993 0.3 . 1 . . . . A 24 LEU CG . 34344 1 290 . 1 . 1 24 24 LEU CD1 C 13 26.765 0.3 . 1 . . . . A 24 LEU CD1 . 34344 1 291 . 1 . 1 24 24 LEU CD2 C 13 24.605 0.3 . 1 . . . . A 24 LEU CD2 . 34344 1 292 . 1 . 1 24 24 LEU N N 15 127.445 0.3 . 1 . . . . A 24 LEU N . 34344 1 293 . 1 . 1 25 25 ASP H H 1 7.865 0.020 . 1 . . . . A 25 ASP H . 34344 1 294 . 1 . 1 25 25 ASP HA H 1 4.271 0.020 . 1 . . . . A 25 ASP HA . 34344 1 295 . 1 . 1 25 25 ASP HB2 H 1 3.040 0.020 . 2 . . . . A 25 ASP HB2 . 34344 1 296 . 1 . 1 25 25 ASP HB3 H 1 2.640 0.020 . 2 . . . . A 25 ASP HB3 . 34344 1 297 . 1 . 1 25 25 ASP C C 13 179.086 0.3 . 1 . . . . A 25 ASP C . 34344 1 298 . 1 . 1 25 25 ASP CA C 13 57.688 0.3 . 1 . . . . A 25 ASP CA . 34344 1 299 . 1 . 1 25 25 ASP CB C 13 39.721 0.3 . 1 . . . . A 25 ASP CB . 34344 1 300 . 1 . 1 25 25 ASP N N 15 119.336 0.3 . 1 . . . . A 25 ASP N . 34344 1 301 . 1 . 1 26 26 TRP H H 1 7.577 0.020 . 1 . . . . A 26 TRP H . 34344 1 302 . 1 . 1 26 26 TRP HA H 1 4.000 0.020 . 1 . . . . A 26 TRP HA . 34344 1 303 . 1 . 1 26 26 TRP HB2 H 1 3.662 0.020 . 2 . . . . A 26 TRP HB2 . 34344 1 304 . 1 . 1 26 26 TRP HB3 H 1 3.223 0.020 . 2 . . . . A 26 TRP HB3 . 34344 1 305 . 1 . 1 26 26 TRP HD1 H 1 7.301 0.020 . 1 . . . . A 26 TRP HD1 . 34344 1 306 . 1 . 1 26 26 TRP HE1 H 1 10.313 0.020 . 1 . . . . A 26 TRP HE1 . 34344 1 307 . 1 . 1 26 26 TRP HE3 H 1 7.333 0.020 . 1 . . . . A 26 TRP HE3 . 34344 1 308 . 1 . 1 26 26 TRP HZ2 H 1 7.605 0.020 . 1 . . . . A 26 TRP HZ2 . 34344 1 309 . 1 . 1 26 26 TRP HZ3 H 1 6.699 0.020 . 1 . . . . A 26 TRP HZ3 . 34344 1 310 . 1 . 1 26 26 TRP HH2 H 1 6.673 0.020 . 1 . . . . A 26 TRP HH2 . 34344 1 311 . 1 . 1 26 26 TRP C C 13 178.165 0.3 . 1 . . . . A 26 TRP C . 34344 1 312 . 1 . 1 26 26 TRP CA C 13 61.862 0.3 . 1 . . . . A 26 TRP CA . 34344 1 313 . 1 . 1 26 26 TRP CB C 13 28.985 0.3 . 1 . . . . A 26 TRP CB . 34344 1 314 . 1 . 1 26 26 TRP CD1 C 13 127.821 0.3 . 1 . . . . A 26 TRP CD1 . 34344 1 315 . 1 . 1 26 26 TRP CE3 C 13 120.023 0.3 . 1 . . . . A 26 TRP CE3 . 34344 1 316 . 1 . 1 26 26 TRP CZ2 C 13 114.947 0.3 . 1 . . . . A 26 TRP CZ2 . 34344 1 317 . 1 . 1 26 26 TRP CZ3 C 13 120.087 0.3 . 1 . . . . A 26 TRP CZ3 . 34344 1 318 . 1 . 1 26 26 TRP CH2 C 13 124.045 0.3 . 1 . . . . A 26 TRP CH2 . 34344 1 319 . 1 . 1 26 26 TRP N N 15 121.644 0.3 . 1 . . . . A 26 TRP N . 34344 1 320 . 1 . 1 26 26 TRP NE1 N 15 129.508 0.3 . 1 . . . . A 26 TRP NE1 . 34344 1 321 . 1 . 1 27 27 LEU H H 1 8.761 0.020 . 1 . . . . A 27 LEU H . 34344 1 322 . 1 . 1 27 27 LEU HA H 1 3.832 0.020 . 1 . . . . A 27 LEU HA . 34344 1 323 . 1 . 1 27 27 LEU HB2 H 1 2.081 0.020 . 2 . . . . A 27 LEU HB2 . 34344 1 324 . 1 . 1 27 27 LEU HB3 H 1 1.672 0.020 . 2 . . . . A 27 LEU HB3 . 34344 1 325 . 1 . 1 27 27 LEU HG H 1 1.301 0.020 . 1 . . . . A 27 LEU HG . 34344 1 326 . 1 . 1 27 27 LEU HD11 H 1 0.568 0.020 . 2 . . . . A 27 LEU HD11 . 34344 1 327 . 1 . 1 27 27 LEU HD12 H 1 0.568 0.020 . 2 . . . . A 27 LEU HD12 . 34344 1 328 . 1 . 1 27 27 LEU HD13 H 1 0.568 0.020 . 2 . . . . A 27 LEU HD13 . 34344 1 329 . 1 . 1 27 27 LEU HD21 H 1 -0.030 0.020 . 2 . . . . A 27 LEU HD21 . 34344 1 330 . 1 . 1 27 27 LEU HD22 H 1 -0.030 0.020 . 2 . . . . A 27 LEU HD22 . 34344 1 331 . 1 . 1 27 27 LEU HD23 H 1 -0.030 0.020 . 2 . . . . A 27 LEU HD23 . 34344 1 332 . 1 . 1 27 27 LEU C C 13 177.422 0.3 . 1 . . . . A 27 LEU C . 34344 1 333 . 1 . 1 27 27 LEU CA C 13 57.519 0.3 . 1 . . . . A 27 LEU CA . 34344 1 334 . 1 . 1 27 27 LEU CB C 13 42.298 0.3 . 1 . . . . A 27 LEU CB . 34344 1 335 . 1 . 1 27 27 LEU CG C 13 26.618 0.3 . 1 . . . . A 27 LEU CG . 34344 1 336 . 1 . 1 27 27 LEU CD1 C 13 24.495 0.3 . 1 . . . . A 27 LEU CD1 . 34344 1 337 . 1 . 1 27 27 LEU CD2 C 13 25.277 0.3 . 1 . . . . A 27 LEU CD2 . 34344 1 338 . 1 . 1 27 27 LEU N N 15 121.479 0.3 . 1 . . . . A 27 LEU N . 34344 1 339 . 1 . 1 28 28 LYS H H 1 8.379 0.020 . 1 . . . . A 28 LYS H . 34344 1 340 . 1 . 1 28 28 LYS HA H 1 3.165 0.020 . 1 . . . . A 28 LYS HA . 34344 1 341 . 1 . 1 28 28 LYS HB2 H 1 1.563 0.020 . 2 . . . . A 28 LYS HB2 . 34344 1 342 . 1 . 1 28 28 LYS HB3 H 1 1.140 0.020 . 2 . . . . A 28 LYS HB3 . 34344 1 343 . 1 . 1 28 28 LYS HG2 H 1 0.628 0.020 . 2 . . . . A 28 LYS HG2 . 34344 1 344 . 1 . 1 28 28 LYS HG3 H 1 -0.030 0.020 . 2 . . . . A 28 LYS HG3 . 34344 1 345 . 1 . 1 28 28 LYS HD2 H 1 1.326 0.020 . 2 . . . . A 28 LYS HD2 . 34344 1 346 . 1 . 1 28 28 LYS HD3 H 1 1.167 0.020 . 2 . . . . A 28 LYS HD3 . 34344 1 347 . 1 . 1 28 28 LYS HE2 H 1 2.521 0.020 . 1 . . . . A 28 LYS HE2 . 34344 1 348 . 1 . 1 28 28 LYS HE3 H 1 2.521 0.020 . 1 . . . . A 28 LYS HE3 . 34344 1 349 . 1 . 1 28 28 LYS C C 13 179.415 0.3 . 1 . . . . A 28 LYS C . 34344 1 350 . 1 . 1 28 28 LYS CA C 13 59.861 0.3 . 1 . . . . A 28 LYS CA . 34344 1 351 . 1 . 1 28 28 LYS CB C 13 32.345 0.3 . 1 . . . . A 28 LYS CB . 34344 1 352 . 1 . 1 28 28 LYS CG C 13 24.269 0.3 . 1 . . . . A 28 LYS CG . 34344 1 353 . 1 . 1 28 28 LYS CD C 13 29.619 0.3 . 1 . . . . A 28 LYS CD . 34344 1 354 . 1 . 1 28 28 LYS CE C 13 41.808 0.3 . 1 . . . . A 28 LYS CE . 34344 1 355 . 1 . 1 28 28 LYS N N 15 120.265 0.3 . 1 . . . . A 28 LYS N . 34344 1 356 . 1 . 1 29 29 GLU H H 1 7.091 0.020 . 1 . . . . A 29 GLU H . 34344 1 357 . 1 . 1 29 29 GLU HA H 1 3.801 0.020 . 1 . . . . A 29 GLU HA . 34344 1 358 . 1 . 1 29 29 GLU HB2 H 1 1.857 0.020 . 2 . . . . A 29 GLU HB2 . 34344 1 359 . 1 . 1 29 29 GLU HB3 H 1 1.806 0.020 . 2 . . . . A 29 GLU HB3 . 34344 1 360 . 1 . 1 29 29 GLU HG2 H 1 2.250 0.020 . 2 . . . . A 29 GLU HG2 . 34344 1 361 . 1 . 1 29 29 GLU HG3 H 1 1.990 0.020 . 2 . . . . A 29 GLU HG3 . 34344 1 362 . 1 . 1 29 29 GLU C C 13 178.150 0.3 . 1 . . . . A 29 GLU C . 34344 1 363 . 1 . 1 29 29 GLU CA C 13 58.450 0.3 . 1 . . . . A 29 GLU CA . 34344 1 364 . 1 . 1 29 29 GLU CB C 13 29.101 0.3 . 1 . . . . A 29 GLU CB . 34344 1 365 . 1 . 1 29 29 GLU CG C 13 36.079 0.3 . 1 . . . . A 29 GLU CG . 34344 1 366 . 1 . 1 29 29 GLU N N 15 117.529 0.3 . 1 . . . . A 29 GLU N . 34344 1 367 . 1 . 1 30 30 ALA H H 1 7.876 0.020 . 1 . . . . A 30 ALA H . 34344 1 368 . 1 . 1 30 30 ALA HA H 1 3.498 0.020 . 1 . . . . A 30 ALA HA . 34344 1 369 . 1 . 1 30 30 ALA HB1 H 1 0.739 0.020 . 1 . . . . A 30 ALA HB1 . 34344 1 370 . 1 . 1 30 30 ALA HB2 H 1 0.739 0.020 . 1 . . . . A 30 ALA HB2 . 34344 1 371 . 1 . 1 30 30 ALA HB3 H 1 0.739 0.020 . 1 . . . . A 30 ALA HB3 . 34344 1 372 . 1 . 1 30 30 ALA C C 13 178.715 0.3 . 1 . . . . A 30 ALA C . 34344 1 373 . 1 . 1 30 30 ALA CA C 13 54.546 0.3 . 1 . . . . A 30 ALA CA . 34344 1 374 . 1 . 1 30 30 ALA CB C 13 17.805 0.3 . 1 . . . . A 30 ALA CB . 34344 1 375 . 1 . 1 30 30 ALA N N 15 121.602 0.3 . 1 . . . . A 30 ALA N . 34344 1 376 . 1 . 1 31 31 LEU H H 1 8.208 0.020 . 1 . . . . A 31 LEU H . 34344 1 377 . 1 . 1 31 31 LEU HA H 1 4.029 0.020 . 1 . . . . A 31 LEU HA . 34344 1 378 . 1 . 1 31 31 LEU HB2 H 1 1.839 0.020 . 2 . . . . A 31 LEU HB2 . 34344 1 379 . 1 . 1 31 31 LEU HB3 H 1 1.405 0.020 . 2 . . . . A 31 LEU HB3 . 34344 1 380 . 1 . 1 31 31 LEU HG H 1 1.798 0.020 . 1 . . . . A 31 LEU HG . 34344 1 381 . 1 . 1 31 31 LEU HD11 H 1 0.745 0.020 . 2 . . . . A 31 LEU HD11 . 34344 1 382 . 1 . 1 31 31 LEU HD12 H 1 0.745 0.020 . 2 . . . . A 31 LEU HD12 . 34344 1 383 . 1 . 1 31 31 LEU HD13 H 1 0.745 0.020 . 2 . . . . A 31 LEU HD13 . 34344 1 384 . 1 . 1 31 31 LEU HD21 H 1 0.704 0.020 . 2 . . . . A 31 LEU HD21 . 34344 1 385 . 1 . 1 31 31 LEU HD22 H 1 0.704 0.020 . 2 . . . . A 31 LEU HD22 . 34344 1 386 . 1 . 1 31 31 LEU HD23 H 1 0.704 0.020 . 2 . . . . A 31 LEU HD23 . 34344 1 387 . 1 . 1 31 31 LEU C C 13 178.573 0.3 . 1 . . . . A 31 LEU C . 34344 1 388 . 1 . 1 31 31 LEU CA C 13 56.000 0.3 . 1 . . . . A 31 LEU CA . 34344 1 389 . 1 . 1 31 31 LEU CB C 13 41.343 0.3 . 1 . . . . A 31 LEU CB . 34344 1 390 . 1 . 1 31 31 LEU CG C 13 26.360 0.3 . 1 . . . . A 31 LEU CG . 34344 1 391 . 1 . 1 31 31 LEU CD1 C 13 22.002 0.3 . 1 . . . . A 31 LEU CD1 . 34344 1 392 . 1 . 1 31 31 LEU CD2 C 13 25.168 0.3 . 1 . . . . A 31 LEU CD2 . 34344 1 393 . 1 . 1 31 31 LEU N N 15 113.623 0.3 . 1 . . . . A 31 LEU N . 34344 1 394 . 1 . 1 32 32 GLY H H 1 7.270 0.020 . 1 . . . . A 32 GLY H . 34344 1 395 . 1 . 1 32 32 GLY HA2 H 1 3.772 0.020 . 1 . . . . A 32 GLY HA2 . 34344 1 396 . 1 . 1 32 32 GLY HA3 H 1 3.772 0.020 . 1 . . . . A 32 GLY HA3 . 34344 1 397 . 1 . 1 32 32 GLY C C 13 174.376 0.3 . 1 . . . . A 32 GLY C . 34344 1 398 . 1 . 1 32 32 GLY CA C 13 46.753 0.3 . 1 . . . . A 32 GLY CA . 34344 1 399 . 1 . 1 32 32 GLY N N 15 105.316 0.3 . 1 . . . . A 32 GLY N . 34344 1 400 . 1 . 1 33 33 ASN H H 1 8.300 0.020 . 1 . . . . A 33 ASN H . 34344 1 401 . 1 . 1 33 33 ASN HA H 1 4.747 0.020 . 1 . . . . A 33 ASN HA . 34344 1 402 . 1 . 1 33 33 ASN HB2 H 1 2.759 0.020 . 2 . . . . A 33 ASN HB2 . 34344 1 403 . 1 . 1 33 33 ASN HB3 H 1 2.642 0.020 . 2 . . . . A 33 ASN HB3 . 34344 1 404 . 1 . 1 33 33 ASN HD21 H 1 7.817 0.020 . 1 . . . . A 33 ASN HD21 . 34344 1 405 . 1 . 1 33 33 ASN HD22 H 1 6.986 0.020 . 1 . . . . A 33 ASN HD22 . 34344 1 406 . 1 . 1 33 33 ASN C C 13 174.572 0.3 . 1 . . . . A 33 ASN C . 34344 1 407 . 1 . 1 33 33 ASN CA C 13 53.622 0.3 . 1 . . . . A 33 ASN CA . 34344 1 408 . 1 . 1 33 33 ASN CB C 13 39.933 0.3 . 1 . . . . A 33 ASN CB . 34344 1 409 . 1 . 1 33 33 ASN N N 15 117.108 0.3 . 1 . . . . A 33 ASN N . 34344 1 410 . 1 . 1 33 33 ASN ND2 N 15 114.101 0.3 . 1 . . . . A 33 ASN ND2 . 34344 1 411 . 1 . 1 34 34 ASP H H 1 8.805 0.020 . 1 . . . . A 34 ASP H . 34344 1 412 . 1 . 1 34 34 ASP HA H 1 4.546 0.020 . 1 . . . . A 34 ASP HA . 34344 1 413 . 1 . 1 34 34 ASP HB2 H 1 2.786 0.020 . 2 . . . . A 34 ASP HB2 . 34344 1 414 . 1 . 1 34 34 ASP HB3 H 1 2.675 0.020 . 2 . . . . A 34 ASP HB3 . 34344 1 415 . 1 . 1 34 34 ASP CA C 13 56.551 0.3 . 1 . . . . A 34 ASP CA . 34344 1 416 . 1 . 1 34 34 ASP CB C 13 40.587 0.3 . 1 . . . . A 34 ASP CB . 34344 1 417 . 1 . 1 34 34 ASP N N 15 124.820 0.3 . 1 . . . . A 34 ASP N . 34344 1 418 . 1 . 1 35 35 GLY H H 1 8.453 0.020 . 1 . . . . A 35 GLY H . 34344 1 419 . 1 . 1 35 35 GLY HA2 H 1 4.145 0.020 . 2 . . . . A 35 GLY HA2 . 34344 1 420 . 1 . 1 35 35 GLY HA3 H 1 3.939 0.020 . 2 . . . . A 35 GLY HA3 . 34344 1 421 . 1 . 1 35 35 GLY C C 13 177.011 0.3 . 1 . . . . A 35 GLY C . 34344 1 422 . 1 . 1 35 35 GLY CA C 13 46.799 0.3 . 1 . . . . A 35 GLY CA . 34344 1 423 . 1 . 1 35 35 GLY N N 15 109.421 0.3 . 1 . . . . A 35 GLY N . 34344 1 424 . 1 . 1 36 36 GLU H H 1 8.287 0.020 . 1 . . . . A 36 GLU H . 34344 1 425 . 1 . 1 36 36 GLU HA H 1 4.123 0.020 . 1 . . . . A 36 GLU HA . 34344 1 426 . 1 . 1 36 36 GLU HB2 H 1 2.199 0.020 . 2 . . . . A 36 GLU HB2 . 34344 1 427 . 1 . 1 36 36 GLU HB3 H 1 2.057 0.020 . 2 . . . . A 36 GLU HB3 . 34344 1 428 . 1 . 1 36 36 GLU HG2 H 1 2.452 0.020 . 2 . . . . A 36 GLU HG2 . 34344 1 429 . 1 . 1 36 36 GLU HG3 H 1 2.273 0.020 . 2 . . . . A 36 GLU HG3 . 34344 1 430 . 1 . 1 36 36 GLU C C 13 179.343 0.3 . 1 . . . . A 36 GLU C . 34344 1 431 . 1 . 1 36 36 GLU CA C 13 58.671 0.3 . 1 . . . . A 36 GLU CA . 34344 1 432 . 1 . 1 36 36 GLU CB C 13 29.808 0.3 . 1 . . . . A 36 GLU CB . 34344 1 433 . 1 . 1 36 36 GLU CG C 13 36.371 0.3 . 1 . . . . A 36 GLU CG . 34344 1 434 . 1 . 1 36 36 GLU N N 15 122.219 0.3 . 1 . . . . A 36 GLU N . 34344 1 435 . 1 . 1 37 37 PHE H H 1 8.621 0.020 . 1 . . . . A 37 PHE H . 34344 1 436 . 1 . 1 37 37 PHE HA H 1 4.225 0.020 . 1 . . . . A 37 PHE HA . 34344 1 437 . 1 . 1 37 37 PHE HB2 H 1 3.349 0.020 . 2 . . . . A 37 PHE HB2 . 34344 1 438 . 1 . 1 37 37 PHE HB3 H 1 3.119 0.020 . 2 . . . . A 37 PHE HB3 . 34344 1 439 . 1 . 1 37 37 PHE HD1 H 1 7.160 0.020 . 3 . . . . A 37 PHE HD1 . 34344 1 440 . 1 . 1 37 37 PHE HD2 H 1 7.166 0.020 . 3 . . . . A 37 PHE HD2 . 34344 1 441 . 1 . 1 37 37 PHE HE1 H 1 7.221 0.020 . 1 . . . . A 37 PHE HE1 . 34344 1 442 . 1 . 1 37 37 PHE HE2 H 1 7.221 0.020 . 1 . . . . A 37 PHE HE2 . 34344 1 443 . 1 . 1 37 37 PHE HZ H 1 7.022 0.020 . 1 . . . . A 37 PHE HZ . 34344 1 444 . 1 . 1 37 37 PHE C C 13 176.248 0.3 . 1 . . . . A 37 PHE C . 34344 1 445 . 1 . 1 37 37 PHE CA C 13 61.636 0.3 . 1 . . . . A 37 PHE CA . 34344 1 446 . 1 . 1 37 37 PHE CB C 13 38.748 0.3 . 1 . . . . A 37 PHE CB . 34344 1 447 . 1 . 1 37 37 PHE CD1 C 13 131.428 0.3 . 1 . . . . A 37 PHE CD1 . 34344 1 448 . 1 . 1 37 37 PHE CD2 C 13 131.686 0.3 . 1 . . . . A 37 PHE CD2 . 34344 1 449 . 1 . 1 37 37 PHE CE1 C 13 131.388 0.3 . 1 . . . . A 37 PHE CE1 . 34344 1 450 . 1 . 1 37 37 PHE CE2 C 13 131.378 0.3 . 1 . . . . A 37 PHE CE2 . 34344 1 451 . 1 . 1 37 37 PHE CZ C 13 128.653 0.3 . 1 . . . . A 37 PHE CZ . 34344 1 452 . 1 . 1 37 37 PHE N N 15 122.521 0.3 . 1 . . . . A 37 PHE N . 34344 1 453 . 1 . 1 38 38 ASP H H 1 8.231 0.020 . 1 . . . . A 38 ASP H . 34344 1 454 . 1 . 1 38 38 ASP HA H 1 4.138 0.020 . 1 . . . . A 38 ASP HA . 34344 1 455 . 1 . 1 38 38 ASP HB2 H 1 2.728 0.020 . 2 . . . . A 38 ASP HB2 . 34344 1 456 . 1 . 1 38 38 ASP HB3 H 1 2.572 0.020 . 2 . . . . A 38 ASP HB3 . 34344 1 457 . 1 . 1 38 38 ASP C C 13 178.905 0.3 . 1 . . . . A 38 ASP C . 34344 1 458 . 1 . 1 38 38 ASP CA C 13 57.759 0.3 . 1 . . . . A 38 ASP CA . 34344 1 459 . 1 . 1 38 38 ASP CB C 13 41.135 0.3 . 1 . . . . A 38 ASP CB . 34344 1 460 . 1 . 1 38 38 ASP N N 15 118.078 0.3 . 1 . . . . A 38 ASP N . 34344 1 461 . 1 . 1 39 39 LYS H H 1 7.468 0.020 . 1 . . . . A 39 LYS H . 34344 1 462 . 1 . 1 39 39 LYS HA H 1 3.689 0.020 . 1 . . . . A 39 LYS HA . 34344 1 463 . 1 . 1 39 39 LYS HB2 H 1 1.823 0.020 . 1 . . . . A 39 LYS HB2 . 34344 1 464 . 1 . 1 39 39 LYS HB3 H 1 1.823 0.020 . 1 . . . . A 39 LYS HB3 . 34344 1 465 . 1 . 1 39 39 LYS HG2 H 1 1.415 0.020 . 2 . . . . A 39 LYS HG2 . 34344 1 466 . 1 . 1 39 39 LYS HG3 H 1 1.229 0.020 . 2 . . . . A 39 LYS HG3 . 34344 1 467 . 1 . 1 39 39 LYS HD2 H 1 1.736 0.020 . 1 . . . . A 39 LYS HD2 . 34344 1 468 . 1 . 1 39 39 LYS HD3 H 1 1.736 0.020 . 1 . . . . A 39 LYS HD3 . 34344 1 469 . 1 . 1 39 39 LYS HE2 H 1 3.004 0.020 . 1 . . . . A 39 LYS HE2 . 34344 1 470 . 1 . 1 39 39 LYS HE3 H 1 3.004 0.020 . 1 . . . . A 39 LYS HE3 . 34344 1 471 . 1 . 1 39 39 LYS C C 13 178.654 0.3 . 1 . . . . A 39 LYS C . 34344 1 472 . 1 . 1 39 39 LYS CA C 13 59.236 0.3 . 1 . . . . A 39 LYS CA . 34344 1 473 . 1 . 1 39 39 LYS CB C 13 32.270 0.3 . 1 . . . . A 39 LYS CB . 34344 1 474 . 1 . 1 39 39 LYS CG C 13 24.644 0.3 . 1 . . . . A 39 LYS CG . 34344 1 475 . 1 . 1 39 39 LYS CD C 13 29.702 0.3 . 1 . . . . A 39 LYS CD . 34344 1 476 . 1 . 1 39 39 LYS CE C 13 41.832 0.3 . 1 . . . . A 39 LYS CE . 34344 1 477 . 1 . 1 39 39 LYS N N 15 118.637 0.3 . 1 . . . . A 39 LYS N . 34344 1 478 . 1 . 1 40 40 PHE H H 1 7.461 0.020 . 1 . . . . A 40 PHE H . 34344 1 479 . 1 . 1 40 40 PHE HA H 1 3.956 0.020 . 1 . . . . A 40 PHE HA . 34344 1 480 . 1 . 1 40 40 PHE HB2 H 1 3.127 0.020 . 2 . . . . A 40 PHE HB2 . 34344 1 481 . 1 . 1 40 40 PHE HB3 H 1 2.979 0.020 . 2 . . . . A 40 PHE HB3 . 34344 1 482 . 1 . 1 40 40 PHE HD1 H 1 6.866 0.020 . 1 . . . . A 40 PHE HD1 . 34344 1 483 . 1 . 1 40 40 PHE HD2 H 1 6.866 0.020 . 1 . . . . A 40 PHE HD2 . 34344 1 484 . 1 . 1 40 40 PHE HE1 H 1 7.222 0.020 . 1 . . . . A 40 PHE HE1 . 34344 1 485 . 1 . 1 40 40 PHE HE2 H 1 7.222 0.020 . 1 . . . . A 40 PHE HE2 . 34344 1 486 . 1 . 1 40 40 PHE HZ H 1 6.967 0.020 . 1 . . . . A 40 PHE HZ . 34344 1 487 . 1 . 1 40 40 PHE C C 13 175.267 0.3 . 1 . . . . A 40 PHE C . 34344 1 488 . 1 . 1 40 40 PHE CA C 13 60.002 0.3 . 1 . . . . A 40 PHE CA . 34344 1 489 . 1 . 1 40 40 PHE CB C 13 38.494 0.3 . 1 . . . . A 40 PHE CB . 34344 1 490 . 1 . 1 40 40 PHE CD1 C 13 131.141 0.3 . 1 . . . . A 40 PHE CD1 . 34344 1 491 . 1 . 1 40 40 PHE CD2 C 13 131.734 0.3 . 1 . . . . A 40 PHE CD2 . 34344 1 492 . 1 . 1 40 40 PHE CE1 C 13 131.678 0.3 . 1 . . . . A 40 PHE CE1 . 34344 1 493 . 1 . 1 40 40 PHE CE2 C 13 131.678 0.3 . 1 . . . . A 40 PHE CE2 . 34344 1 494 . 1 . 1 40 40 PHE CZ C 13 128.938 0.3 . 1 . . . . A 40 PHE CZ . 34344 1 495 . 1 . 1 40 40 PHE N N 15 121.600 0.3 . 1 . . . . A 40 PHE N . 34344 1 496 . 1 . 1 41 41 LEU H H 1 7.378 0.020 . 1 . . . . A 41 LEU H . 34344 1 497 . 1 . 1 41 41 LEU HA H 1 3.638 0.020 . 1 . . . . A 41 LEU HA . 34344 1 498 . 1 . 1 41 41 LEU HB2 H 1 1.736 0.020 . 2 . . . . A 41 LEU HB2 . 34344 1 499 . 1 . 1 41 41 LEU HB3 H 1 1.110 0.020 . 2 . . . . A 41 LEU HB3 . 34344 1 500 . 1 . 1 41 41 LEU HG H 1 1.301 0.020 . 1 . . . . A 41 LEU HG . 34344 1 501 . 1 . 1 41 41 LEU HD11 H 1 0.688 0.020 . 2 . . . . A 41 LEU HD11 . 34344 1 502 . 1 . 1 41 41 LEU HD12 H 1 0.688 0.020 . 2 . . . . A 41 LEU HD12 . 34344 1 503 . 1 . 1 41 41 LEU HD13 H 1 0.688 0.020 . 2 . . . . A 41 LEU HD13 . 34344 1 504 . 1 . 1 41 41 LEU HD21 H 1 0.592 0.020 . 2 . . . . A 41 LEU HD21 . 34344 1 505 . 1 . 1 41 41 LEU HD22 H 1 0.592 0.020 . 2 . . . . A 41 LEU HD22 . 34344 1 506 . 1 . 1 41 41 LEU HD23 H 1 0.592 0.020 . 2 . . . . A 41 LEU HD23 . 34344 1 507 . 1 . 1 41 41 LEU C C 13 177.148 0.3 . 1 . . . . A 41 LEU C . 34344 1 508 . 1 . 1 41 41 LEU CA C 13 55.603 0.3 . 1 . . . . A 41 LEU CA . 34344 1 509 . 1 . 1 41 41 LEU CB C 13 42.098 0.3 . 1 . . . . A 41 LEU CB . 34344 1 510 . 1 . 1 41 41 LEU CG C 13 25.284 0.3 . 1 . . . . A 41 LEU CG . 34344 1 511 . 1 . 1 41 41 LEU CD1 C 13 26.786 0.3 . 1 . . . . A 41 LEU CD1 . 34344 1 512 . 1 . 1 41 41 LEU CD2 C 13 23.510 0.3 . 1 . . . . A 41 LEU CD2 . 34344 1 513 . 1 . 1 41 41 LEU N N 15 112.352 0.3 . 1 . . . . A 41 LEU N . 34344 1 514 . 1 . 1 42 42 GLY H H 1 7.239 0.020 . 1 . . . . A 42 GLY H . 34344 1 515 . 1 . 1 42 42 GLY HA2 H 1 4.053 0.020 . 2 . . . . A 42 GLY HA2 . 34344 1 516 . 1 . 1 42 42 GLY HA3 H 1 3.478 0.020 . 2 . . . . A 42 GLY HA3 . 34344 1 517 . 1 . 1 42 42 GLY C C 13 175.176 0.3 . 1 . . . . A 42 GLY C . 34344 1 518 . 1 . 1 42 42 GLY CA C 13 44.598 0.3 . 1 . . . . A 42 GLY CA . 34344 1 519 . 1 . 1 42 42 GLY N N 15 103.830 0.3 . 1 . . . . A 42 GLY N . 34344 1 520 . 1 . 1 43 43 TYR H H 1 7.012 0.020 . 1 . . . . A 43 TYR H . 34344 1 521 . 1 . 1 43 43 TYR HA H 1 4.700 0.020 . 1 . . . . A 43 TYR HA . 34344 1 522 . 1 . 1 43 43 TYR HB2 H 1 2.960 0.020 . 2 . . . . A 43 TYR HB2 . 34344 1 523 . 1 . 1 43 43 TYR HB3 H 1 2.555 0.020 . 2 . . . . A 43 TYR HB3 . 34344 1 524 . 1 . 1 43 43 TYR HD1 H 1 6.944 0.020 . 1 . . . . A 43 TYR HD1 . 34344 1 525 . 1 . 1 43 43 TYR HD2 H 1 6.944 0.020 . 1 . . . . A 43 TYR HD2 . 34344 1 526 . 1 . 1 43 43 TYR HE1 H 1 6.790 0.020 . 1 . . . . A 43 TYR HE1 . 34344 1 527 . 1 . 1 43 43 TYR HE2 H 1 6.790 0.020 . 1 . . . . A 43 TYR HE2 . 34344 1 528 . 1 . 1 43 43 TYR C C 13 173.561 0.3 . 1 . . . . A 43 TYR C . 34344 1 529 . 1 . 1 43 43 TYR CA C 13 55.968 0.3 . 1 . . . . A 43 TYR CA . 34344 1 530 . 1 . 1 43 43 TYR CB C 13 38.385 0.3 . 1 . . . . A 43 TYR CB . 34344 1 531 . 1 . 1 43 43 TYR CD1 C 13 133.410 0.3 . 1 . . . . A 43 TYR CD1 . 34344 1 532 . 1 . 1 43 43 TYR CD2 C 13 133.397 0.3 . 1 . . . . A 43 TYR CD2 . 34344 1 533 . 1 . 1 43 43 TYR CE1 C 13 116.982 0.3 . 1 . . . . A 43 TYR CE1 . 34344 1 534 . 1 . 1 43 43 TYR CE2 C 13 116.982 0.3 . 1 . . . . A 43 TYR CE2 . 34344 1 535 . 1 . 1 43 43 TYR N N 15 120.313 0.3 . 1 . . . . A 43 TYR N . 34344 1 536 . 1 . 1 44 44 ASP H H 1 8.196 0.020 . 1 . . . . A 44 ASP H . 34344 1 537 . 1 . 1 44 44 ASP HA H 1 4.361 0.020 . 1 . . . . A 44 ASP HA . 34344 1 538 . 1 . 1 44 44 ASP HB2 H 1 2.662 0.020 . 2 . . . . A 44 ASP HB2 . 34344 1 539 . 1 . 1 44 44 ASP HB3 H 1 2.553 0.020 . 2 . . . . A 44 ASP HB3 . 34344 1 540 . 1 . 1 44 44 ASP C C 13 177.123 0.3 . 1 . . . . A 44 ASP C . 34344 1 541 . 1 . 1 44 44 ASP CA C 13 54.910 0.3 . 1 . . . . A 44 ASP CA . 34344 1 542 . 1 . 1 44 44 ASP CB C 13 42.734 0.3 . 1 . . . . A 44 ASP CB . 34344 1 543 . 1 . 1 44 44 ASP N N 15 117.516 0.3 . 1 . . . . A 44 ASP N . 34344 1 544 . 1 . 1 45 45 GLU H H 1 8.903 0.020 . 1 . . . . A 45 GLU H . 34344 1 545 . 1 . 1 45 45 GLU HA H 1 3.735 0.020 . 1 . . . . A 45 GLU HA . 34344 1 546 . 1 . 1 45 45 GLU HB2 H 1 2.145 0.020 . 2 . . . . A 45 GLU HB2 . 34344 1 547 . 1 . 1 45 45 GLU HB3 H 1 1.980 0.020 . 2 . . . . A 45 GLU HB3 . 34344 1 548 . 1 . 1 45 45 GLU HG2 H 1 2.156 0.020 . 1 . . . . A 45 GLU HG2 . 34344 1 549 . 1 . 1 45 45 GLU HG3 H 1 2.156 0.020 . 1 . . . . A 45 GLU HG3 . 34344 1 550 . 1 . 1 45 45 GLU CA C 13 60.251 0.3 . 1 . . . . A 45 GLU CA . 34344 1 551 . 1 . 1 45 45 GLU CB C 13 30.233 0.3 . 1 . . . . A 45 GLU CB . 34344 1 552 . 1 . 1 45 45 GLU CG C 13 36.203 0.3 . 1 . . . . A 45 GLU CG . 34344 1 553 . 1 . 1 45 45 GLU N N 15 125.380 0.3 . 1 . . . . A 45 GLU N . 34344 1 554 . 1 . 1 46 46 SER H H 1 8.548 0.020 . 1 . . . . A 46 SER H . 34344 1 555 . 1 . 1 46 46 SER HA H 1 4.201 0.020 . 1 . . . . A 46 SER HA . 34344 1 556 . 1 . 1 46 46 SER HB2 H 1 3.976 0.020 . 1 . . . . A 46 SER HB2 . 34344 1 557 . 1 . 1 46 46 SER HB3 H 1 3.976 0.020 . 1 . . . . A 46 SER HB3 . 34344 1 558 . 1 . 1 46 46 SER C C 13 177.239 0.3 . 1 . . . . A 46 SER C . 34344 1 559 . 1 . 1 46 46 SER CA C 13 61.801 0.3 . 1 . . . . A 46 SER CA . 34344 1 560 . 1 . 1 46 46 SER CB C 13 62.142 0.3 . 1 . . . . A 46 SER CB . 34344 1 561 . 1 . 1 46 46 SER N N 15 114.016 0.3 . 1 . . . . A 46 SER N . 34344 1 562 . 1 . 1 47 47 LYS H H 1 7.421 0.020 . 1 . . . . A 47 LYS H . 34344 1 563 . 1 . 1 47 47 LYS HA H 1 4.171 0.020 . 1 . . . . A 47 LYS HA . 34344 1 564 . 1 . 1 47 47 LYS HB2 H 1 1.896 0.020 . 2 . . . . A 47 LYS HB2 . 34344 1 565 . 1 . 1 47 47 LYS HB3 H 1 1.718 0.020 . 2 . . . . A 47 LYS HB3 . 34344 1 566 . 1 . 1 47 47 LYS HG2 H 1 1.451 0.020 . 2 . . . . A 47 LYS HG2 . 34344 1 567 . 1 . 1 47 47 LYS HG3 H 1 1.558 0.020 . 2 . . . . A 47 LYS HG3 . 34344 1 568 . 1 . 1 47 47 LYS HD2 H 1 1.571 0.020 . 2 . . . . A 47 LYS HD2 . 34344 1 569 . 1 . 1 47 47 LYS HD3 H 1 1.683 0.020 . 2 . . . . A 47 LYS HD3 . 34344 1 570 . 1 . 1 47 47 LYS HE2 H 1 2.983 0.020 . 2 . . . . A 47 LYS HE2 . 34344 1 571 . 1 . 1 47 47 LYS HE3 H 1 2.658 0.020 . 2 . . . . A 47 LYS HE3 . 34344 1 572 . 1 . 1 47 47 LYS C C 13 179.494 0.3 . 1 . . . . A 47 LYS C . 34344 1 573 . 1 . 1 47 47 LYS CA C 13 58.900 0.3 . 1 . . . . A 47 LYS CA . 34344 1 574 . 1 . 1 47 47 LYS CB C 13 32.669 0.3 . 1 . . . . A 47 LYS CB . 34344 1 575 . 1 . 1 47 47 LYS CG C 13 26.319 0.3 . 1 . . . . A 47 LYS CG . 34344 1 576 . 1 . 1 47 47 LYS CD C 13 29.602 0.3 . 1 . . . . A 47 LYS CD . 34344 1 577 . 1 . 1 47 47 LYS CE C 13 42.193 0.3 . 1 . . . . A 47 LYS CE . 34344 1 578 . 1 . 1 47 47 LYS N N 15 122.584 0.3 . 1 . . . . A 47 LYS N . 34344 1 579 . 1 . 1 48 48 ILE H H 1 8.195 0.020 . 1 . . . . A 48 ILE H . 34344 1 580 . 1 . 1 48 48 ILE HA H 1 3.405 0.020 . 1 . . . . A 48 ILE HA . 34344 1 581 . 1 . 1 48 48 ILE HB H 1 1.852 0.020 . 1 . . . . A 48 ILE HB . 34344 1 582 . 1 . 1 48 48 ILE HG12 H 1 1.280 0.020 . 2 . . . . A 48 ILE HG12 . 34344 1 583 . 1 . 1 48 48 ILE HG13 H 1 0.125 0.020 . 2 . . . . A 48 ILE HG13 . 34344 1 584 . 1 . 1 48 48 ILE HG21 H 1 0.938 0.020 . 1 . . . . A 48 ILE HG21 . 34344 1 585 . 1 . 1 48 48 ILE HG22 H 1 0.938 0.020 . 1 . . . . A 48 ILE HG22 . 34344 1 586 . 1 . 1 48 48 ILE HG23 H 1 0.938 0.020 . 1 . . . . A 48 ILE HG23 . 34344 1 587 . 1 . 1 48 48 ILE HD11 H 1 0.596 0.020 . 1 . . . . A 48 ILE HD11 . 34344 1 588 . 1 . 1 48 48 ILE HD12 H 1 0.596 0.020 . 1 . . . . A 48 ILE HD12 . 34344 1 589 . 1 . 1 48 48 ILE HD13 H 1 0.596 0.020 . 1 . . . . A 48 ILE HD13 . 34344 1 590 . 1 . 1 48 48 ILE C C 13 177.848 0.3 . 1 . . . . A 48 ILE C . 34344 1 591 . 1 . 1 48 48 ILE CA C 13 66.328 0.3 . 1 . . . . A 48 ILE CA . 34344 1 592 . 1 . 1 48 48 ILE CB C 13 38.226 0.3 . 1 . . . . A 48 ILE CB . 34344 1 593 . 1 . 1 48 48 ILE CG1 C 13 28.210 0.3 . 1 . . . . A 48 ILE CG1 . 34344 1 594 . 1 . 1 48 48 ILE CG2 C 13 16.636 0.3 . 1 . . . . A 48 ILE CG2 . 34344 1 595 . 1 . 1 48 48 ILE CD1 C 13 14.909 0.3 . 1 . . . . A 48 ILE CD1 . 34344 1 596 . 1 . 1 48 48 ILE N N 15 121.784 0.3 . 1 . . . . A 48 ILE N . 34344 1 597 . 1 . 1 49 49 LYS H H 1 8.225 0.020 . 1 . . . . A 49 LYS H . 34344 1 598 . 1 . 1 49 49 LYS HA H 1 3.675 0.020 . 1 . . . . A 49 LYS HA . 34344 1 599 . 1 . 1 49 49 LYS HB2 H 1 2.071 0.020 . 2 . . . . A 49 LYS HB2 . 34344 1 600 . 1 . 1 49 49 LYS HB3 H 1 1.914 0.020 . 2 . . . . A 49 LYS HB3 . 34344 1 601 . 1 . 1 49 49 LYS HG2 H 1 1.252 0.020 . 2 . . . . A 49 LYS HG2 . 34344 1 602 . 1 . 1 49 49 LYS HG3 H 1 1.657 0.020 . 2 . . . . A 49 LYS HG3 . 34344 1 603 . 1 . 1 49 49 LYS HD2 H 1 1.755 0.020 . 2 . . . . A 49 LYS HD2 . 34344 1 604 . 1 . 1 49 49 LYS HD3 H 1 1.852 0.020 . 2 . . . . A 49 LYS HD3 . 34344 1 605 . 1 . 1 49 49 LYS HE2 H 1 2.847 0.020 . 2 . . . . A 49 LYS HE2 . 34344 1 606 . 1 . 1 49 49 LYS HE3 H 1 3.067 0.020 . 2 . . . . A 49 LYS HE3 . 34344 1 607 . 1 . 1 49 49 LYS C C 13 177.803 0.3 . 1 . . . . A 49 LYS C . 34344 1 608 . 1 . 1 49 49 LYS CA C 13 61.845 0.3 . 1 . . . . A 49 LYS CA . 34344 1 609 . 1 . 1 49 49 LYS CB C 13 32.523 0.3 . 1 . . . . A 49 LYS CB . 34344 1 610 . 1 . 1 49 49 LYS CG C 13 27.543 0.3 . 1 . . . . A 49 LYS CG . 34344 1 611 . 1 . 1 49 49 LYS CD C 13 29.919 0.3 . 1 . . . . A 49 LYS CD . 34344 1 612 . 1 . 1 49 49 LYS CE C 13 42.520 0.3 . 1 . . . . A 49 LYS CE . 34344 1 613 . 1 . 1 49 49 LYS N N 15 118.729 0.3 . 1 . . . . A 49 LYS N . 34344 1 614 . 1 . 1 50 50 THR H H 1 7.840 0.020 . 1 . . . . A 50 THR H . 34344 1 615 . 1 . 1 50 50 THR HA H 1 4.072 0.020 . 1 . . . . A 50 THR HA . 34344 1 616 . 1 . 1 50 50 THR HB H 1 4.308 0.020 . 1 . . . . A 50 THR HB . 34344 1 617 . 1 . 1 50 50 THR HG21 H 1 1.416 0.020 . 1 . . . . A 50 THR HG21 . 34344 1 618 . 1 . 1 50 50 THR HG22 H 1 1.416 0.020 . 1 . . . . A 50 THR HG22 . 34344 1 619 . 1 . 1 50 50 THR HG23 H 1 1.416 0.020 . 1 . . . . A 50 THR HG23 . 34344 1 620 . 1 . 1 50 50 THR C C 13 177.123 0.3 . 1 . . . . A 50 THR C . 34344 1 621 . 1 . 1 50 50 THR CA C 13 66.730 0.3 . 1 . . . . A 50 THR CA . 34344 1 622 . 1 . 1 50 50 THR CB C 13 68.806 0.3 . 1 . . . . A 50 THR CB . 34344 1 623 . 1 . 1 50 50 THR CG2 C 13 22.245 0.3 . 1 . . . . A 50 THR CG2 . 34344 1 624 . 1 . 1 50 50 THR N N 15 113.535 0.3 . 1 . . . . A 50 THR N . 34344 1 625 . 1 . 1 51 51 ALA H H 1 8.258 0.020 . 1 . . . . A 51 ALA H . 34344 1 626 . 1 . 1 51 51 ALA HA H 1 4.655 0.020 . 1 . . . . A 51 ALA HA . 34344 1 627 . 1 . 1 51 51 ALA HB1 H 1 1.715 0.020 . 1 . . . . A 51 ALA HB1 . 34344 1 628 . 1 . 1 51 51 ALA HB2 H 1 1.715 0.020 . 1 . . . . A 51 ALA HB2 . 34344 1 629 . 1 . 1 51 51 ALA HB3 H 1 1.715 0.020 . 1 . . . . A 51 ALA HB3 . 34344 1 630 . 1 . 1 51 51 ALA C C 13 180.022 0.3 . 1 . . . . A 51 ALA C . 34344 1 631 . 1 . 1 51 51 ALA CA C 13 55.746 0.3 . 1 . . . . A 51 ALA CA . 34344 1 632 . 1 . 1 51 51 ALA CB C 13 18.333 0.3 . 1 . . . . A 51 ALA CB . 34344 1 633 . 1 . 1 51 51 ALA N N 15 125.438 0.3 . 1 . . . . A 51 ALA N . 34344 1 634 . 1 . 1 52 52 LEU H H 1 8.803 0.020 . 1 . . . . A 52 LEU H . 34344 1 635 . 1 . 1 52 52 LEU HA H 1 4.194 0.020 . 1 . . . . A 52 LEU HA . 34344 1 636 . 1 . 1 52 52 LEU HB2 H 1 2.176 0.020 . 2 . . . . A 52 LEU HB2 . 34344 1 637 . 1 . 1 52 52 LEU HB3 H 1 1.593 0.020 . 2 . . . . A 52 LEU HB3 . 34344 1 638 . 1 . 1 52 52 LEU HG H 1 2.350 0.020 . 1 . . . . A 52 LEU HG . 34344 1 639 . 1 . 1 52 52 LEU HD11 H 1 1.069 0.020 . 2 . . . . A 52 LEU HD11 . 34344 1 640 . 1 . 1 52 52 LEU HD12 H 1 1.069 0.020 . 2 . . . . A 52 LEU HD12 . 34344 1 641 . 1 . 1 52 52 LEU HD13 H 1 1.069 0.020 . 2 . . . . A 52 LEU HD13 . 34344 1 642 . 1 . 1 52 52 LEU HD21 H 1 0.925 0.020 . 2 . . . . A 52 LEU HD21 . 34344 1 643 . 1 . 1 52 52 LEU HD22 H 1 0.925 0.020 . 2 . . . . A 52 LEU HD22 . 34344 1 644 . 1 . 1 52 52 LEU HD23 H 1 0.925 0.020 . 2 . . . . A 52 LEU HD23 . 34344 1 645 . 1 . 1 52 52 LEU C C 13 180.176 0.3 . 1 . . . . A 52 LEU C . 34344 1 646 . 1 . 1 52 52 LEU CA C 13 58.129 0.3 . 1 . . . . A 52 LEU CA . 34344 1 647 . 1 . 1 52 52 LEU CB C 13 41.669 0.3 . 1 . . . . A 52 LEU CB . 34344 1 648 . 1 . 1 52 52 LEU CG C 13 26.424 0.3 . 1 . . . . A 52 LEU CG . 34344 1 649 . 1 . 1 52 52 LEU CD1 C 13 28.053 0.3 . 1 . . . . A 52 LEU CD1 . 34344 1 650 . 1 . 1 52 52 LEU CD2 C 13 21.478 0.3 . 1 . . . . A 52 LEU CD2 . 34344 1 651 . 1 . 1 52 52 LEU N N 15 118.296 0.3 . 1 . . . . A 52 LEU N . 34344 1 652 . 1 . 1 53 53 ASP H H 1 8.777 0.020 . 1 . . . . A 53 ASP H . 34344 1 653 . 1 . 1 53 53 ASP HA H 1 4.301 0.020 . 1 . . . . A 53 ASP HA . 34344 1 654 . 1 . 1 53 53 ASP HB2 H 1 2.982 0.020 . 2 . . . . A 53 ASP HB2 . 34344 1 655 . 1 . 1 53 53 ASP HB3 H 1 2.711 0.020 . 2 . . . . A 53 ASP HB3 . 34344 1 656 . 1 . 1 53 53 ASP C C 13 178.844 0.3 . 1 . . . . A 53 ASP C . 34344 1 657 . 1 . 1 53 53 ASP CA C 13 57.399 0.3 . 1 . . . . A 53 ASP CA . 34344 1 658 . 1 . 1 53 53 ASP CB C 13 39.445 0.3 . 1 . . . . A 53 ASP CB . 34344 1 659 . 1 . 1 53 53 ASP N N 15 123.112 0.3 . 1 . . . . A 53 ASP N . 34344 1 660 . 1 . 1 54 54 HIS H H 1 8.382 0.020 . 1 . . . . A 54 HIS H . 34344 1 661 . 1 . 1 54 54 HIS HA H 1 4.392 0.020 . 1 . . . . A 54 HIS HA . 34344 1 662 . 1 . 1 54 54 HIS HB2 H 1 3.578 0.020 . 2 . . . . A 54 HIS HB2 . 34344 1 663 . 1 . 1 54 54 HIS HB3 H 1 3.333 0.020 . 2 . . . . A 54 HIS HB3 . 34344 1 664 . 1 . 1 54 54 HIS HD2 H 1 6.419 0.020 . 1 . . . . A 54 HIS HD2 . 34344 1 665 . 1 . 1 54 54 HIS HE1 H 1 7.526 0.020 . 1 . . . . A 54 HIS HE1 . 34344 1 666 . 1 . 1 54 54 HIS C C 13 176.756 0.3 . 1 . . . . A 54 HIS C . 34344 1 667 . 1 . 1 54 54 HIS CA C 13 60.355 0.3 . 1 . . . . A 54 HIS CA . 34344 1 668 . 1 . 1 54 54 HIS CB C 13 30.778 0.3 . 1 . . . . A 54 HIS CB . 34344 1 669 . 1 . 1 54 54 HIS CD2 C 13 115.734 0.3 . 1 . . . . A 54 HIS CD2 . 34344 1 670 . 1 . 1 54 54 HIS CE1 C 13 138.803 0.3 . 1 . . . . A 54 HIS CE1 . 34344 1 671 . 1 . 1 54 54 HIS N N 15 122.854 0.3 . 1 . . . . A 54 HIS N . 34344 1 672 . 1 . 1 55 55 ILE H H 1 8.340 0.020 . 1 . . . . A 55 ILE H . 34344 1 673 . 1 . 1 55 55 ILE HA H 1 3.384 0.020 . 1 . . . . A 55 ILE HA . 34344 1 674 . 1 . 1 55 55 ILE HB H 1 2.029 0.020 . 1 . . . . A 55 ILE HB . 34344 1 675 . 1 . 1 55 55 ILE HG12 H 1 2.433 0.020 . 2 . . . . A 55 ILE HG12 . 34344 1 676 . 1 . 1 55 55 ILE HG13 H 1 1.232 0.020 . 2 . . . . A 55 ILE HG13 . 34344 1 677 . 1 . 1 55 55 ILE HG21 H 1 0.721 0.020 . 1 . . . . A 55 ILE HG21 . 34344 1 678 . 1 . 1 55 55 ILE HG22 H 1 0.721 0.020 . 1 . . . . A 55 ILE HG22 . 34344 1 679 . 1 . 1 55 55 ILE HG23 H 1 0.721 0.020 . 1 . . . . A 55 ILE HG23 . 34344 1 680 . 1 . 1 55 55 ILE HD11 H 1 1.130 0.020 . 1 . . . . A 55 ILE HD11 . 34344 1 681 . 1 . 1 55 55 ILE HD12 H 1 1.130 0.020 . 1 . . . . A 55 ILE HD12 . 34344 1 682 . 1 . 1 55 55 ILE HD13 H 1 1.130 0.020 . 1 . . . . A 55 ILE HD13 . 34344 1 683 . 1 . 1 55 55 ILE C C 13 176.776 0.3 . 1 . . . . A 55 ILE C . 34344 1 684 . 1 . 1 55 55 ILE CA C 13 66.446 0.3 . 1 . . . . A 55 ILE CA . 34344 1 685 . 1 . 1 55 55 ILE CB C 13 38.655 0.3 . 1 . . . . A 55 ILE CB . 34344 1 686 . 1 . 1 55 55 ILE CG1 C 13 30.757 0.3 . 1 . . . . A 55 ILE CG1 . 34344 1 687 . 1 . 1 55 55 ILE CG2 C 13 18.032 0.3 . 1 . . . . A 55 ILE CG2 . 34344 1 688 . 1 . 1 55 55 ILE CD1 C 13 14.844 0.3 . 1 . . . . A 55 ILE CD1 . 34344 1 689 . 1 . 1 55 55 ILE N N 15 118.877 0.3 . 1 . . . . A 55 ILE N . 34344 1 690 . 1 . 1 56 56 LYS H H 1 7.437 0.020 . 1 . . . . A 56 LYS H . 34344 1 691 . 1 . 1 56 56 LYS HA H 1 3.214 0.020 . 1 . . . . A 56 LYS HA . 34344 1 692 . 1 . 1 56 56 LYS HB2 H 1 1.420 0.020 . 2 . . . . A 56 LYS HB2 . 34344 1 693 . 1 . 1 56 56 LYS HB3 H 1 0.338 0.020 . 2 . . . . A 56 LYS HB3 . 34344 1 694 . 1 . 1 56 56 LYS HG2 H 1 1.061 0.020 . 2 . . . . A 56 LYS HG2 . 34344 1 695 . 1 . 1 56 56 LYS HG3 H 1 1.012 0.020 . 2 . . . . A 56 LYS HG3 . 34344 1 696 . 1 . 1 56 56 LYS HD2 H 1 1.360 0.020 . 2 . . . . A 56 LYS HD2 . 34344 1 697 . 1 . 1 56 56 LYS HD3 H 1 1.562 0.020 . 2 . . . . A 56 LYS HD3 . 34344 1 698 . 1 . 1 56 56 LYS HE2 H 1 2.907 0.020 . 2 . . . . A 56 LYS HE2 . 34344 1 699 . 1 . 1 56 56 LYS HE3 H 1 3.027 0.020 . 2 . . . . A 56 LYS HE3 . 34344 1 700 . 1 . 1 56 56 LYS C C 13 176.783 0.3 . 1 . . . . A 56 LYS C . 34344 1 701 . 1 . 1 56 56 LYS CA C 13 59.637 0.3 . 1 . . . . A 56 LYS CA . 34344 1 702 . 1 . 1 56 56 LYS CB C 13 31.482 0.3 . 1 . . . . A 56 LYS CB . 34344 1 703 . 1 . 1 56 56 LYS CG C 13 25.338 0.3 . 1 . . . . A 56 LYS CG . 34344 1 704 . 1 . 1 56 56 LYS CD C 13 29.249 0.3 . 1 . . . . A 56 LYS CD . 34344 1 705 . 1 . 1 56 56 LYS CE C 13 42.451 0.3 . 1 . . . . A 56 LYS CE . 34344 1 706 . 1 . 1 56 56 LYS N N 15 118.080 0.3 . 1 . . . . A 56 LYS N . 34344 1 707 . 1 . 1 57 57 SER H H 1 7.757 0.020 . 1 . . . . A 57 SER H . 34344 1 708 . 1 . 1 57 57 SER HA H 1 3.956 0.020 . 1 . . . . A 57 SER HA . 34344 1 709 . 1 . 1 57 57 SER HB2 H 1 3.922 0.020 . 2 . . . . A 57 SER HB2 . 34344 1 710 . 1 . 1 57 57 SER HB3 H 1 3.899 0.020 . 2 . . . . A 57 SER HB3 . 34344 1 711 . 1 . 1 57 57 SER C C 13 177.199 0.3 . 1 . . . . A 57 SER C . 34344 1 712 . 1 . 1 57 57 SER CA C 13 61.378 0.3 . 1 . . . . A 57 SER CA . 34344 1 713 . 1 . 1 57 57 SER CB C 13 62.627 0.3 . 1 . . . . A 57 SER CB . 34344 1 714 . 1 . 1 57 57 SER N N 15 112.518 0.3 . 1 . . . . A 57 SER N . 34344 1 715 . 1 . 1 58 58 GLU H H 1 7.726 0.020 . 1 . . . . A 58 GLU H . 34344 1 716 . 1 . 1 58 58 GLU HA H 1 3.617 0.020 . 1 . . . . A 58 GLU HA . 34344 1 717 . 1 . 1 58 58 GLU HB2 H 1 1.414 0.020 . 1 . . . . A 58 GLU HB2 . 34344 1 718 . 1 . 1 58 58 GLU HB3 H 1 1.414 0.020 . 1 . . . . A 58 GLU HB3 . 34344 1 719 . 1 . 1 58 58 GLU HG2 H 1 2.092 0.020 . 2 . . . . A 58 GLU HG2 . 34344 1 720 . 1 . 1 58 58 GLU HG3 H 1 1.560 0.020 . 2 . . . . A 58 GLU HG3 . 34344 1 721 . 1 . 1 58 58 GLU C C 13 179.312 0.3 . 1 . . . . A 58 GLU C . 34344 1 722 . 1 . 1 58 58 GLU CA C 13 58.431 0.3 . 1 . . . . A 58 GLU CA . 34344 1 723 . 1 . 1 58 58 GLU CB C 13 30.789 0.3 . 1 . . . . A 58 GLU CB . 34344 1 724 . 1 . 1 58 58 GLU CG C 13 36.864 0.3 . 1 . . . . A 58 GLU CG . 34344 1 725 . 1 . 1 58 58 GLU N N 15 118.444 0.3 . 1 . . . . A 58 GLU N . 34344 1 726 . 1 . 1 59 59 LEU H H 1 8.043 0.020 . 1 . . . . A 59 LEU H . 34344 1 727 . 1 . 1 59 59 LEU HA H 1 3.612 0.020 . 1 . . . . A 59 LEU HA . 34344 1 728 . 1 . 1 59 59 LEU HB2 H 1 1.819 0.020 . 2 . . . . A 59 LEU HB2 . 34344 1 729 . 1 . 1 59 59 LEU HB3 H 1 1.221 0.020 . 2 . . . . A 59 LEU HB3 . 34344 1 730 . 1 . 1 59 59 LEU HG H 1 1.427 0.020 . 1 . . . . A 59 LEU HG . 34344 1 731 . 1 . 1 59 59 LEU HD11 H 1 -0.027 0.020 . 2 . . . . A 59 LEU HD11 . 34344 1 732 . 1 . 1 59 59 LEU HD12 H 1 -0.027 0.020 . 2 . . . . A 59 LEU HD12 . 34344 1 733 . 1 . 1 59 59 LEU HD13 H 1 -0.027 0.020 . 2 . . . . A 59 LEU HD13 . 34344 1 734 . 1 . 1 59 59 LEU HD21 H 1 0.734 0.020 . 2 . . . . A 59 LEU HD21 . 34344 1 735 . 1 . 1 59 59 LEU HD22 H 1 0.734 0.020 . 2 . . . . A 59 LEU HD22 . 34344 1 736 . 1 . 1 59 59 LEU HD23 H 1 0.734 0.020 . 2 . . . . A 59 LEU HD23 . 34344 1 737 . 1 . 1 59 59 LEU C C 13 180.535 0.3 . 1 . . . . A 59 LEU C . 34344 1 738 . 1 . 1 59 59 LEU CA C 13 58.215 0.3 . 1 . . . . A 59 LEU CA . 34344 1 739 . 1 . 1 59 59 LEU CB C 13 42.167 0.3 . 1 . . . . A 59 LEU CB . 34344 1 740 . 1 . 1 59 59 LEU CG C 13 26.361 0.3 . 1 . . . . A 59 LEU CG . 34344 1 741 . 1 . 1 59 59 LEU CD1 C 13 24.423 0.3 . 1 . . . . A 59 LEU CD1 . 34344 1 742 . 1 . 1 59 59 LEU CD2 C 13 23.309 0.3 . 1 . . . . A 59 LEU CD2 . 34344 1 743 . 1 . 1 59 59 LEU N N 15 121.108 0.3 . 1 . . . . A 59 LEU N . 34344 1 744 . 1 . 1 60 60 ASP H H 1 8.614 0.020 . 1 . . . . A 60 ASP H . 34344 1 745 . 1 . 1 60 60 ASP HA H 1 4.249 0.020 . 1 . . . . A 60 ASP HA . 34344 1 746 . 1 . 1 60 60 ASP HB2 H 1 2.646 0.020 . 2 . . . . A 60 ASP HB2 . 34344 1 747 . 1 . 1 60 60 ASP HB3 H 1 2.506 0.020 . 2 . . . . A 60 ASP HB3 . 34344 1 748 . 1 . 1 60 60 ASP C C 13 177.665 0.3 . 1 . . . . A 60 ASP C . 34344 1 749 . 1 . 1 60 60 ASP CA C 13 56.016 0.3 . 1 . . . . A 60 ASP CA . 34344 1 750 . 1 . 1 60 60 ASP CB C 13 40.061 0.3 . 1 . . . . A 60 ASP CB . 34344 1 751 . 1 . 1 60 60 ASP N N 15 119.102 0.3 . 1 . . . . A 60 ASP N . 34344 1 752 . 1 . 1 61 61 LYS H H 1 6.944 0.020 . 1 . . . . A 61 LYS H . 34344 1 753 . 1 . 1 61 61 LYS HA H 1 3.957 0.020 . 1 . . . . A 61 LYS HA . 34344 1 754 . 1 . 1 61 61 LYS HB2 H 1 1.686 0.020 . 2 . . . . A 61 LYS HB2 . 34344 1 755 . 1 . 1 61 61 LYS HB3 H 1 1.612 0.020 . 2 . . . . A 61 LYS HB3 . 34344 1 756 . 1 . 1 61 61 LYS HG2 H 1 1.679 0.020 . 2 . . . . A 61 LYS HG2 . 34344 1 757 . 1 . 1 61 61 LYS HG3 H 1 1.260 0.020 . 2 . . . . A 61 LYS HG3 . 34344 1 758 . 1 . 1 61 61 LYS HD2 H 1 1.582 0.020 . 2 . . . . A 61 LYS HD2 . 34344 1 759 . 1 . 1 61 61 LYS HD3 H 1 1.507 0.020 . 2 . . . . A 61 LYS HD3 . 34344 1 760 . 1 . 1 61 61 LYS HE2 H 1 2.809 0.020 . 2 . . . . A 61 LYS HE2 . 34344 1 761 . 1 . 1 61 61 LYS HE3 H 1 2.707 0.020 . 2 . . . . A 61 LYS HE3 . 34344 1 762 . 1 . 1 61 61 LYS C C 13 177.048 0.3 . 1 . . . . A 61 LYS C . 34344 1 763 . 1 . 1 61 61 LYS CA C 13 57.965 0.3 . 1 . . . . A 61 LYS CA . 34344 1 764 . 1 . 1 61 61 LYS CB C 13 33.833 0.3 . 1 . . . . A 61 LYS CB . 34344 1 765 . 1 . 1 61 61 LYS CG C 13 25.347 0.3 . 1 . . . . A 61 LYS CG . 34344 1 766 . 1 . 1 61 61 LYS CD C 13 30.004 0.3 . 1 . . . . A 61 LYS CD . 34344 1 767 . 1 . 1 61 61 LYS CE C 13 42.113 0.3 . 1 . . . . A 61 LYS CE . 34344 1 768 . 1 . 1 61 61 LYS N N 15 116.882 0.3 . 1 . . . . A 61 LYS N . 34344 1 769 . 1 . 1 62 62 CYS H H 1 7.520 0.020 . 1 . . . . A 62 CYS H . 34344 1 770 . 1 . 1 62 62 CYS HA H 1 4.639 0.020 . 1 . . . . A 62 CYS HA . 34344 1 771 . 1 . 1 62 62 CYS HB2 H 1 3.056 0.020 . 1 . . . . A 62 CYS HB2 . 34344 1 772 . 1 . 1 62 62 CYS HB3 H 1 3.056 0.020 . 1 . . . . A 62 CYS HB3 . 34344 1 773 . 1 . 1 62 62 CYS C C 13 173.047 0.3 . 1 . . . . A 62 CYS C . 34344 1 774 . 1 . 1 62 62 CYS CA C 13 54.188 0.3 . 1 . . . . A 62 CYS CA . 34344 1 775 . 1 . 1 62 62 CYS CB C 13 41.501 0.3 . 1 . . . . A 62 CYS CB . 34344 1 776 . 1 . 1 62 62 CYS N N 15 116.600 0.3 . 1 . . . . A 62 CYS N . 34344 1 777 . 1 . 1 63 63 ASN H H 1 8.146 0.020 . 1 . . . . A 63 ASN H . 34344 1 778 . 1 . 1 63 63 ASN HA H 1 4.845 0.020 . 1 . . . . A 63 ASN HA . 34344 1 779 . 1 . 1 63 63 ASN HB2 H 1 2.865 0.020 . 2 . . . . A 63 ASN HB2 . 34344 1 780 . 1 . 1 63 63 ASN HB3 H 1 2.737 0.020 . 2 . . . . A 63 ASN HB3 . 34344 1 781 . 1 . 1 63 63 ASN HD21 H 1 6.770 0.020 . 1 . . . . A 63 ASN HD21 . 34344 1 782 . 1 . 1 63 63 ASN HD22 H 1 7.427 0.020 . 1 . . . . A 63 ASN HD22 . 34344 1 783 . 1 . 1 63 63 ASN CA C 13 52.723 0.3 . 1 . . . . A 63 ASN CA . 34344 1 784 . 1 . 1 63 63 ASN CB C 13 39.805 0.3 . 1 . . . . A 63 ASN CB . 34344 1 785 . 1 . 1 63 63 ASN N N 15 121.712 0.3 . 1 . . . . A 63 ASN N . 34344 1 786 . 1 . 1 63 63 ASN ND2 N 15 112.729 0.3 . 1 . . . . A 63 ASN ND2 . 34344 1 787 . 1 . 1 64 64 GLY H H 1 8.766 0.020 . 1 . . . . A 64 GLY H . 34344 1 788 . 1 . 1 64 64 GLY HA2 H 1 4.327 0.020 . 2 . . . . A 64 GLY HA2 . 34344 1 789 . 1 . 1 64 64 GLY HA3 H 1 4.060 0.020 . 2 . . . . A 64 GLY HA3 . 34344 1 790 . 1 . 1 64 64 GLY C C 13 175.337 0.3 . 1 . . . . A 64 GLY C . 34344 1 791 . 1 . 1 64 64 GLY CA C 13 44.450 0.3 . 1 . . . . A 64 GLY CA . 34344 1 792 . 1 . 1 64 64 GLY N N 15 109.820 0.3 . 1 . . . . A 64 GLY N . 34344 1 793 . 1 . 1 65 65 ASN H H 1 8.855 0.020 . 1 . . . . A 65 ASN H . 34344 1 794 . 1 . 1 65 65 ASN HA H 1 4.528 0.020 . 1 . . . . A 65 ASN HA . 34344 1 795 . 1 . 1 65 65 ASN HB2 H 1 2.845 0.020 . 1 . . . . A 65 ASN HB2 . 34344 1 796 . 1 . 1 65 65 ASN HB3 H 1 2.845 0.020 . 1 . . . . A 65 ASN HB3 . 34344 1 797 . 1 . 1 65 65 ASN HD21 H 1 6.972 0.020 . 1 . . . . A 65 ASN HD21 . 34344 1 798 . 1 . 1 65 65 ASN HD22 H 1 7.669 0.020 . 1 . . . . A 65 ASN HD22 . 34344 1 799 . 1 . 1 65 65 ASN CA C 13 55.465 0.3 . 1 . . . . A 65 ASN CA . 34344 1 800 . 1 . 1 65 65 ASN CB C 13 38.238 0.3 . 1 . . . . A 65 ASN CB . 34344 1 801 . 1 . 1 65 65 ASN N N 15 119.456 0.3 . 1 . . . . A 65 ASN N . 34344 1 802 . 1 . 1 65 65 ASN ND2 N 15 112.962 0.3 . 1 . . . . A 65 ASN ND2 . 34344 1 803 . 1 . 1 66 66 ASP H H 1 8.656 0.020 . 1 . . . . A 66 ASP H . 34344 1 804 . 1 . 1 66 66 ASP HA H 1 4.849 0.020 . 1 . . . . A 66 ASP HA . 34344 1 805 . 1 . 1 66 66 ASP HB2 H 1 2.724 0.020 . 2 . . . . A 66 ASP HB2 . 34344 1 806 . 1 . 1 66 66 ASP HB3 H 1 2.885 0.020 . 2 . . . . A 66 ASP HB3 . 34344 1 807 . 1 . 1 66 66 ASP C C 13 176.569 0.3 . 1 . . . . A 66 ASP C . 34344 1 808 . 1 . 1 66 66 ASP CA C 13 53.250 0.3 . 1 . . . . A 66 ASP CA . 34344 1 809 . 1 . 1 66 66 ASP CB C 13 40.015 0.3 . 1 . . . . A 66 ASP CB . 34344 1 810 . 1 . 1 66 66 ASP N N 15 118.594 0.3 . 1 . . . . A 66 ASP N . 34344 1 811 . 1 . 1 67 67 ALA H H 1 7.544 0.020 . 1 . . . . A 67 ALA H . 34344 1 812 . 1 . 1 67 67 ALA HA H 1 4.020 0.020 . 1 . . . . A 67 ALA HA . 34344 1 813 . 1 . 1 67 67 ALA HB1 H 1 1.400 0.020 . 1 . . . . A 67 ALA HB1 . 34344 1 814 . 1 . 1 67 67 ALA HB2 H 1 1.400 0.020 . 1 . . . . A 67 ALA HB2 . 34344 1 815 . 1 . 1 67 67 ALA HB3 H 1 1.400 0.020 . 1 . . . . A 67 ALA HB3 . 34344 1 816 . 1 . 1 67 67 ALA C C 13 178.920 0.3 . 1 . . . . A 67 ALA C . 34344 1 817 . 1 . 1 67 67 ALA CA C 13 55.731 0.3 . 1 . . . . A 67 ALA CA . 34344 1 818 . 1 . 1 67 67 ALA CB C 13 19.265 0.3 . 1 . . . . A 67 ALA CB . 34344 1 819 . 1 . 1 67 67 ALA N N 15 122.459 0.3 . 1 . . . . A 67 ALA N . 34344 1 820 . 1 . 1 68 68 ASP H H 1 8.564 0.020 . 1 . . . . A 68 ASP H . 34344 1 821 . 1 . 1 68 68 ASP HA H 1 4.399 0.020 . 1 . . . . A 68 ASP HA . 34344 1 822 . 1 . 1 68 68 ASP HB2 H 1 2.688 0.020 . 1 . . . . A 68 ASP HB2 . 34344 1 823 . 1 . 1 68 68 ASP HB3 H 1 2.688 0.020 . 1 . . . . A 68 ASP HB3 . 34344 1 824 . 1 . 1 68 68 ASP C C 13 178.965 0.3 . 1 . . . . A 68 ASP C . 34344 1 825 . 1 . 1 68 68 ASP CA C 13 57.907 0.3 . 1 . . . . A 68 ASP CA . 34344 1 826 . 1 . 1 68 68 ASP CB C 13 40.348 0.3 . 1 . . . . A 68 ASP CB . 34344 1 827 . 1 . 1 68 68 ASP N N 15 116.772 0.3 . 1 . . . . A 68 ASP N . 34344 1 828 . 1 . 1 69 69 GLN H H 1 8.271 0.020 . 1 . . . . A 69 GLN H . 34344 1 829 . 1 . 1 69 69 GLN HA H 1 4.169 0.020 . 1 . . . . A 69 GLN HA . 34344 1 830 . 1 . 1 69 69 GLN HB2 H 1 2.227 0.020 . 2 . . . . A 69 GLN HB2 . 34344 1 831 . 1 . 1 69 69 GLN HB3 H 1 2.176 0.020 . 2 . . . . A 69 GLN HB3 . 34344 1 832 . 1 . 1 69 69 GLN HG2 H 1 2.450 0.020 . 1 . . . . A 69 GLN HG2 . 34344 1 833 . 1 . 1 69 69 GLN HG3 H 1 2.450 0.020 . 1 . . . . A 69 GLN HG3 . 34344 1 834 . 1 . 1 69 69 GLN HE21 H 1 7.545 0.020 . 1 . . . . A 69 GLN HE21 . 34344 1 835 . 1 . 1 69 69 GLN HE22 H 1 6.913 0.020 . 1 . . . . A 69 GLN HE22 . 34344 1 836 . 1 . 1 69 69 GLN C C 13 178.950 0.3 . 1 . . . . A 69 GLN C . 34344 1 837 . 1 . 1 69 69 GLN CA C 13 59.003 0.3 . 1 . . . . A 69 GLN CA . 34344 1 838 . 1 . 1 69 69 GLN CB C 13 28.272 0.3 . 1 . . . . A 69 GLN CB . 34344 1 839 . 1 . 1 69 69 GLN CG C 13 33.905 0.3 . 1 . . . . A 69 GLN CG . 34344 1 840 . 1 . 1 69 69 GLN N N 15 120.593 0.3 . 1 . . . . A 69 GLN N . 34344 1 841 . 1 . 1 69 69 GLN NE2 N 15 112.344 0.3 . 1 . . . . A 69 GLN NE2 . 34344 1 842 . 1 . 1 70 70 GLN H H 1 8.318 0.020 . 1 . . . . A 70 GLN H . 34344 1 843 . 1 . 1 70 70 GLN HA H 1 4.249 0.020 . 1 . . . . A 70 GLN HA . 34344 1 844 . 1 . 1 70 70 GLN HB2 H 1 2.183 0.020 . 2 . . . . A 70 GLN HB2 . 34344 1 845 . 1 . 1 70 70 GLN HB3 H 1 2.059 0.020 . 2 . . . . A 70 GLN HB3 . 34344 1 846 . 1 . 1 70 70 GLN HG2 H 1 2.502 0.020 . 2 . . . . A 70 GLN HG2 . 34344 1 847 . 1 . 1 70 70 GLN HG3 H 1 2.450 0.020 . 2 . . . . A 70 GLN HG3 . 34344 1 848 . 1 . 1 70 70 GLN HE21 H 1 7.390 0.020 . 1 . . . . A 70 GLN HE21 . 34344 1 849 . 1 . 1 70 70 GLN HE22 H 1 6.809 0.020 . 1 . . . . A 70 GLN HE22 . 34344 1 850 . 1 . 1 70 70 GLN C C 13 180.173 0.3 . 1 . . . . A 70 GLN C . 34344 1 851 . 1 . 1 70 70 GLN CA C 13 58.891 0.3 . 1 . . . . A 70 GLN CA . 34344 1 852 . 1 . 1 70 70 GLN CB C 13 28.788 0.3 . 1 . . . . A 70 GLN CB . 34344 1 853 . 1 . 1 70 70 GLN CG C 13 33.701 0.3 . 1 . . . . A 70 GLN CG . 34344 1 854 . 1 . 1 70 70 GLN N N 15 119.236 0.3 . 1 . . . . A 70 GLN N . 34344 1 855 . 1 . 1 70 70 GLN NE2 N 15 111.851 0.3 . 1 . . . . A 70 GLN NE2 . 34344 1 856 . 1 . 1 71 71 LYS H H 1 8.758 0.020 . 1 . . . . A 71 LYS H . 34344 1 857 . 1 . 1 71 71 LYS HA H 1 4.029 0.020 . 1 . . . . A 71 LYS HA . 34344 1 858 . 1 . 1 71 71 LYS HB2 H 1 2.131 0.020 . 1 . . . . A 71 LYS HB2 . 34344 1 859 . 1 . 1 71 71 LYS HB3 H 1 2.131 0.020 . 1 . . . . A 71 LYS HB3 . 34344 1 860 . 1 . 1 71 71 LYS HG2 H 1 1.928 0.020 . 2 . . . . A 71 LYS HG2 . 34344 1 861 . 1 . 1 71 71 LYS HG3 H 1 1.280 0.020 . 2 . . . . A 71 LYS HG3 . 34344 1 862 . 1 . 1 71 71 LYS HD2 H 1 1.768 0.020 . 1 . . . . A 71 LYS HD2 . 34344 1 863 . 1 . 1 71 71 LYS HD3 H 1 1.768 0.020 . 1 . . . . A 71 LYS HD3 . 34344 1 864 . 1 . 1 71 71 LYS HE2 H 1 2.954 0.020 . 1 . . . . A 71 LYS HE2 . 34344 1 865 . 1 . 1 71 71 LYS HE3 H 1 2.954 0.020 . 1 . . . . A 71 LYS HE3 . 34344 1 866 . 1 . 1 71 71 LYS C C 13 178.730 0.3 . 1 . . . . A 71 LYS C . 34344 1 867 . 1 . 1 71 71 LYS CA C 13 60.841 0.3 . 1 . . . . A 71 LYS CA . 34344 1 868 . 1 . 1 71 71 LYS CB C 13 32.468 0.3 . 1 . . . . A 71 LYS CB . 34344 1 869 . 1 . 1 71 71 LYS CG C 13 26.893 0.3 . 1 . . . . A 71 LYS CG . 34344 1 870 . 1 . 1 71 71 LYS CD C 13 29.815 0.3 . 1 . . . . A 71 LYS CD . 34344 1 871 . 1 . 1 71 71 LYS CE C 13 42.368 0.3 . 1 . . . . A 71 LYS CE . 34344 1 872 . 1 . 1 71 71 LYS N N 15 120.843 0.3 . 1 . . . . A 71 LYS N . 34344 1 873 . 1 . 1 72 72 THR H H 1 8.153 0.020 . 1 . . . . A 72 THR H . 34344 1 874 . 1 . 1 72 72 THR HA H 1 4.057 0.020 . 1 . . . . A 72 THR HA . 34344 1 875 . 1 . 1 72 72 THR HB H 1 4.456 0.020 . 1 . . . . A 72 THR HB . 34344 1 876 . 1 . 1 72 72 THR HG21 H 1 1.310 0.020 . 1 . . . . A 72 THR HG21 . 34344 1 877 . 1 . 1 72 72 THR HG22 H 1 1.310 0.020 . 1 . . . . A 72 THR HG22 . 34344 1 878 . 1 . 1 72 72 THR HG23 H 1 1.310 0.020 . 1 . . . . A 72 THR HG23 . 34344 1 879 . 1 . 1 72 72 THR C C 13 178.059 0.3 . 1 . . . . A 72 THR C . 34344 1 880 . 1 . 1 72 72 THR CA C 13 67.198 0.3 . 1 . . . . A 72 THR CA . 34344 1 881 . 1 . 1 72 72 THR CB C 13 68.407 0.3 . 1 . . . . A 72 THR CB . 34344 1 882 . 1 . 1 72 72 THR CG2 C 13 22.011 0.3 . 1 . . . . A 72 THR CG2 . 34344 1 883 . 1 . 1 72 72 THR N N 15 116.797 0.3 . 1 . . . . A 72 THR N . 34344 1 884 . 1 . 1 73 73 THR H H 1 8.633 0.020 . 1 . . . . A 73 THR H . 34344 1 885 . 1 . 1 73 73 THR HA H 1 4.118 0.020 . 1 . . . . A 73 THR HA . 34344 1 886 . 1 . 1 73 73 THR HB H 1 4.390 0.020 . 1 . . . . A 73 THR HB . 34344 1 887 . 1 . 1 73 73 THR HG21 H 1 1.381 0.020 . 1 . . . . A 73 THR HG21 . 34344 1 888 . 1 . 1 73 73 THR HG22 H 1 1.381 0.020 . 1 . . . . A 73 THR HG22 . 34344 1 889 . 1 . 1 73 73 THR HG23 H 1 1.381 0.020 . 1 . . . . A 73 THR HG23 . 34344 1 890 . 1 . 1 73 73 THR C C 13 176.067 0.3 . 1 . . . . A 73 THR C . 34344 1 891 . 1 . 1 73 73 THR CA C 13 66.581 0.3 . 1 . . . . A 73 THR CA . 34344 1 892 . 1 . 1 73 73 THR CB C 13 68.710 0.3 . 1 . . . . A 73 THR CB . 34344 1 893 . 1 . 1 73 73 THR CG2 C 13 22.110 0.3 . 1 . . . . A 73 THR CG2 . 34344 1 894 . 1 . 1 73 73 THR N N 15 120.866 0.3 . 1 . . . . A 73 THR N . 34344 1 895 . 1 . 1 74 74 PHE H H 1 8.122 0.020 . 1 . . . . A 74 PHE H . 34344 1 896 . 1 . 1 74 74 PHE HA H 1 4.819 0.020 . 1 . . . . A 74 PHE HA . 34344 1 897 . 1 . 1 74 74 PHE HB2 H 1 3.473 0.020 . 1 . . . . A 74 PHE HB2 . 34344 1 898 . 1 . 1 74 74 PHE HB3 H 1 3.473 0.020 . 1 . . . . A 74 PHE HB3 . 34344 1 899 . 1 . 1 74 74 PHE HD1 H 1 7.249 0.020 . 1 . . . . A 74 PHE HD1 . 34344 1 900 . 1 . 1 74 74 PHE HD2 H 1 7.249 0.020 . 1 . . . . A 74 PHE HD2 . 34344 1 901 . 1 . 1 74 74 PHE HE1 H 1 6.859 0.020 . 1 . . . . A 74 PHE HE1 . 34344 1 902 . 1 . 1 74 74 PHE HE2 H 1 6.859 0.020 . 1 . . . . A 74 PHE HE2 . 34344 1 903 . 1 . 1 74 74 PHE HZ H 1 6.674 0.020 . 1 . . . . A 74 PHE HZ . 34344 1 904 . 1 . 1 74 74 PHE C C 13 176.716 0.3 . 1 . . . . A 74 PHE C . 34344 1 905 . 1 . 1 74 74 PHE CA C 13 59.598 0.3 . 1 . . . . A 74 PHE CA . 34344 1 906 . 1 . 1 74 74 PHE CB C 13 39.065 0.3 . 1 . . . . A 74 PHE CB . 34344 1 907 . 1 . 1 74 74 PHE CD1 C 13 132.650 0.3 . 1 . . . . A 74 PHE CD1 . 34344 1 908 . 1 . 1 74 74 PHE CD2 C 13 132.650 0.3 . 1 . . . . A 74 PHE CD2 . 34344 1 909 . 1 . 1 74 74 PHE CE1 C 13 130.588 0.3 . 1 . . . . A 74 PHE CE1 . 34344 1 910 . 1 . 1 74 74 PHE CE2 C 13 130.588 0.3 . 1 . . . . A 74 PHE CE2 . 34344 1 911 . 1 . 1 74 74 PHE CZ C 13 128.630 0.3 . 1 . . . . A 74 PHE CZ . 34344 1 912 . 1 . 1 74 74 PHE N N 15 120.954 0.3 . 1 . . . . A 74 PHE N . 34344 1 913 . 1 . 1 75 75 LYS H H 1 7.840 0.020 . 1 . . . . A 75 LYS H . 34344 1 914 . 1 . 1 75 75 LYS HA H 1 3.798 0.020 . 1 . . . . A 75 LYS HA . 34344 1 915 . 1 . 1 75 75 LYS HB2 H 1 2.081 0.020 . 2 . . . . A 75 LYS HB2 . 34344 1 916 . 1 . 1 75 75 LYS HB3 H 1 1.584 0.020 . 2 . . . . A 75 LYS HB3 . 34344 1 917 . 1 . 1 75 75 LYS HG2 H 1 1.800 0.020 . 2 . . . . A 75 LYS HG2 . 34344 1 918 . 1 . 1 75 75 LYS HG3 H 1 0.536 0.020 . 2 . . . . A 75 LYS HG3 . 34344 1 919 . 1 . 1 75 75 LYS HD2 H 1 1.554 0.020 . 2 . . . . A 75 LYS HD2 . 34344 1 920 . 1 . 1 75 75 LYS HD3 H 1 1.354 0.020 . 2 . . . . A 75 LYS HD3 . 34344 1 921 . 1 . 1 75 75 LYS HE2 H 1 2.706 0.020 . 2 . . . . A 75 LYS HE2 . 34344 1 922 . 1 . 1 75 75 LYS HE3 H 1 2.566 0.020 . 2 . . . . A 75 LYS HE3 . 34344 1 923 . 1 . 1 75 75 LYS C C 13 178.030 0.3 . 1 . . . . A 75 LYS C . 34344 1 924 . 1 . 1 75 75 LYS CA C 13 60.904 0.3 . 1 . . . . A 75 LYS CA . 34344 1 925 . 1 . 1 75 75 LYS CB C 13 33.114 0.3 . 1 . . . . A 75 LYS CB . 34344 1 926 . 1 . 1 75 75 LYS CG C 13 26.576 0.3 . 1 . . . . A 75 LYS CG . 34344 1 927 . 1 . 1 75 75 LYS CD C 13 30.236 0.3 . 1 . . . . A 75 LYS CD . 34344 1 928 . 1 . 1 75 75 LYS CE C 13 41.746 0.3 . 1 . . . . A 75 LYS CE . 34344 1 929 . 1 . 1 75 75 LYS N N 15 117.596 0.3 . 1 . . . . A 75 LYS N . 34344 1 930 . 1 . 1 76 76 GLN H H 1 7.183 0.020 . 1 . . . . A 76 GLN H . 34344 1 931 . 1 . 1 76 76 GLN HA H 1 4.173 0.020 . 1 . . . . A 76 GLN HA . 34344 1 932 . 1 . 1 76 76 GLN HB2 H 1 2.365 0.020 . 2 . . . . A 76 GLN HB2 . 34344 1 933 . 1 . 1 76 76 GLN HB3 H 1 2.306 0.020 . 2 . . . . A 76 GLN HB3 . 34344 1 934 . 1 . 1 76 76 GLN HG2 H 1 2.503 0.020 . 1 . . . . A 76 GLN HG2 . 34344 1 935 . 1 . 1 76 76 GLN HG3 H 1 2.503 0.020 . 1 . . . . A 76 GLN HG3 . 34344 1 936 . 1 . 1 76 76 GLN HE21 H 1 7.576 0.020 . 1 . . . . A 76 GLN HE21 . 34344 1 937 . 1 . 1 76 76 GLN HE22 H 1 6.816 0.020 . 1 . . . . A 76 GLN HE22 . 34344 1 938 . 1 . 1 76 76 GLN C C 13 179.479 0.3 . 1 . . . . A 76 GLN C . 34344 1 939 . 1 . 1 76 76 GLN CA C 13 58.460 0.3 . 1 . . . . A 76 GLN CA . 34344 1 940 . 1 . 1 76 76 GLN CB C 13 28.479 0.3 . 1 . . . . A 76 GLN CB . 34344 1 941 . 1 . 1 76 76 GLN CG C 13 34.343 0.3 . 1 . . . . A 76 GLN CG . 34344 1 942 . 1 . 1 76 76 GLN N N 15 116.960 0.3 . 1 . . . . A 76 GLN N . 34344 1 943 . 1 . 1 76 76 GLN NE2 N 15 112.198 0.3 . 1 . . . . A 76 GLN NE2 . 34344 1 944 . 1 . 1 77 77 THR H H 1 8.290 0.020 . 1 . . . . A 77 THR H . 34344 1 945 . 1 . 1 77 77 THR HA H 1 4.000 0.020 . 1 . . . . A 77 THR HA . 34344 1 946 . 1 . 1 77 77 THR HB H 1 4.439 0.020 . 1 . . . . A 77 THR HB . 34344 1 947 . 1 . 1 77 77 THR HG21 H 1 1.497 0.020 . 1 . . . . A 77 THR HG21 . 34344 1 948 . 1 . 1 77 77 THR HG22 H 1 1.497 0.020 . 1 . . . . A 77 THR HG22 . 34344 1 949 . 1 . 1 77 77 THR HG23 H 1 1.497 0.020 . 1 . . . . A 77 THR HG23 . 34344 1 950 . 1 . 1 77 77 THR C C 13 177.087 0.3 . 1 . . . . A 77 THR C . 34344 1 951 . 1 . 1 77 77 THR CA C 13 65.818 0.3 . 1 . . . . A 77 THR CA . 34344 1 952 . 1 . 1 77 77 THR CB C 13 68.219 0.3 . 1 . . . . A 77 THR CB . 34344 1 953 . 1 . 1 77 77 THR CG2 C 13 22.739 0.3 . 1 . . . . A 77 THR CG2 . 34344 1 954 . 1 . 1 77 77 THR N N 15 119.560 0.3 . 1 . . . . A 77 THR N . 34344 1 955 . 1 . 1 78 78 VAL H H 1 8.604 0.020 . 1 . . . . A 78 VAL H . 34344 1 956 . 1 . 1 78 78 VAL HA H 1 3.503 0.020 . 1 . . . . A 78 VAL HA . 34344 1 957 . 1 . 1 78 78 VAL HB H 1 2.007 0.020 . 1 . . . . A 78 VAL HB . 34344 1 958 . 1 . 1 78 78 VAL HG11 H 1 0.847 0.020 . 2 . . . . A 78 VAL HG11 . 34344 1 959 . 1 . 1 78 78 VAL HG12 H 1 0.847 0.020 . 2 . . . . A 78 VAL HG12 . 34344 1 960 . 1 . 1 78 78 VAL HG13 H 1 0.847 0.020 . 2 . . . . A 78 VAL HG13 . 34344 1 961 . 1 . 1 78 78 VAL HG21 H 1 0.454 0.020 . 2 . . . . A 78 VAL HG21 . 34344 1 962 . 1 . 1 78 78 VAL HG22 H 1 0.454 0.020 . 2 . . . . A 78 VAL HG22 . 34344 1 963 . 1 . 1 78 78 VAL HG23 H 1 0.454 0.020 . 2 . . . . A 78 VAL HG23 . 34344 1 964 . 1 . 1 78 78 VAL C C 13 176.323 0.3 . 1 . . . . A 78 VAL C . 34344 1 965 . 1 . 1 78 78 VAL CA C 13 67.474 0.3 . 1 . . . . A 78 VAL CA . 34344 1 966 . 1 . 1 78 78 VAL CB C 13 31.211 0.3 . 1 . . . . A 78 VAL CB . 34344 1 967 . 1 . 1 78 78 VAL CG1 C 13 22.135 0.3 . 1 . . . . A 78 VAL CG1 . 34344 1 968 . 1 . 1 78 78 VAL CG2 C 13 24.040 0.3 . 1 . . . . A 78 VAL CG2 . 34344 1 969 . 1 . 1 78 78 VAL N N 15 121.683 0.3 . 1 . . . . A 78 VAL N . 34344 1 970 . 1 . 1 79 79 GLN H H 1 7.941 0.020 . 1 . . . . A 79 GLN H . 34344 1 971 . 1 . 1 79 79 GLN HA H 1 3.703 0.020 . 1 . . . . A 79 GLN HA . 34344 1 972 . 1 . 1 79 79 GLN HB2 H 1 2.260 0.020 . 2 . . . . A 79 GLN HB2 . 34344 1 973 . 1 . 1 79 79 GLN HB3 H 1 2.103 0.020 . 2 . . . . A 79 GLN HB3 . 34344 1 974 . 1 . 1 79 79 GLN HG2 H 1 2.526 0.020 . 2 . . . . A 79 GLN HG2 . 34344 1 975 . 1 . 1 79 79 GLN HG3 H 1 2.238 0.020 . 2 . . . . A 79 GLN HG3 . 34344 1 976 . 1 . 1 79 79 GLN HE21 H 1 7.728 0.020 . 1 . . . . A 79 GLN HE21 . 34344 1 977 . 1 . 1 79 79 GLN HE22 H 1 6.730 0.020 . 1 . . . . A 79 GLN HE22 . 34344 1 978 . 1 . 1 79 79 GLN C C 13 179.096 0.3 . 1 . . . . A 79 GLN C . 34344 1 979 . 1 . 1 79 79 GLN CA C 13 59.877 0.3 . 1 . . . . A 79 GLN CA . 34344 1 980 . 1 . 1 79 79 GLN CB C 13 28.414 0.3 . 1 . . . . A 79 GLN CB . 34344 1 981 . 1 . 1 79 79 GLN CG C 13 33.868 0.3 . 1 . . . . A 79 GLN CG . 34344 1 982 . 1 . 1 79 79 GLN N N 15 119.705 0.3 . 1 . . . . A 79 GLN N . 34344 1 983 . 1 . 1 79 79 GLN NE2 N 15 112.249 0.3 . 1 . . . . A 79 GLN NE2 . 34344 1 984 . 1 . 1 80 80 GLY H H 1 8.220 0.020 . 1 . . . . A 80 GLY H . 34344 1 985 . 1 . 1 80 80 GLY HA2 H 1 4.015 0.020 . 2 . . . . A 80 GLY HA2 . 34344 1 986 . 1 . 1 80 80 GLY HA3 H 1 3.914 0.020 . 2 . . . . A 80 GLY HA3 . 34344 1 987 . 1 . 1 80 80 GLY C C 13 176.867 0.3 . 1 . . . . A 80 GLY C . 34344 1 988 . 1 . 1 80 80 GLY CA C 13 46.966 0.3 . 1 . . . . A 80 GLY CA . 34344 1 989 . 1 . 1 80 80 GLY N N 15 104.794 0.3 . 1 . . . . A 80 GLY N . 34344 1 990 . 1 . 1 81 81 ALA H H 1 8.387 0.020 . 1 . . . . A 81 ALA H . 34344 1 991 . 1 . 1 81 81 ALA HA H 1 4.331 0.020 . 1 . . . . A 81 ALA HA . 34344 1 992 . 1 . 1 81 81 ALA HB1 H 1 1.688 0.020 . 1 . . . . A 81 ALA HB1 . 34344 1 993 . 1 . 1 81 81 ALA HB2 H 1 1.688 0.020 . 1 . . . . A 81 ALA HB2 . 34344 1 994 . 1 . 1 81 81 ALA HB3 H 1 1.688 0.020 . 1 . . . . A 81 ALA HB3 . 34344 1 995 . 1 . 1 81 81 ALA C C 13 180.445 0.3 . 1 . . . . A 81 ALA C . 34344 1 996 . 1 . 1 81 81 ALA CA C 13 55.006 0.3 . 1 . . . . A 81 ALA CA . 34344 1 997 . 1 . 1 81 81 ALA CB C 13 19.249 0.3 . 1 . . . . A 81 ALA CB . 34344 1 998 . 1 . 1 81 81 ALA N N 15 125.482 0.3 . 1 . . . . A 81 ALA N . 34344 1 999 . 1 . 1 82 82 LEU H H 1 8.367 0.020 . 1 . . . . A 82 LEU H . 34344 1 1000 . 1 . 1 82 82 LEU HA H 1 4.356 0.020 . 1 . . . . A 82 LEU HA . 34344 1 1001 . 1 . 1 82 82 LEU HB2 H 1 1.689 0.020 . 2 . . . . A 82 LEU HB2 . 34344 1 1002 . 1 . 1 82 82 LEU HB3 H 1 1.597 0.020 . 2 . . . . A 82 LEU HB3 . 34344 1 1003 . 1 . 1 82 82 LEU HG H 1 1.481 0.020 . 1 . . . . A 82 LEU HG . 34344 1 1004 . 1 . 1 82 82 LEU HD11 H 1 0.488 0.020 . 2 . . . . A 82 LEU HD11 . 34344 1 1005 . 1 . 1 82 82 LEU HD12 H 1 0.488 0.020 . 2 . . . . A 82 LEU HD12 . 34344 1 1006 . 1 . 1 82 82 LEU HD13 H 1 0.488 0.020 . 2 . . . . A 82 LEU HD13 . 34344 1 1007 . 1 . 1 82 82 LEU HD21 H 1 0.503 0.020 . 2 . . . . A 82 LEU HD21 . 34344 1 1008 . 1 . 1 82 82 LEU HD22 H 1 0.503 0.020 . 2 . . . . A 82 LEU HD22 . 34344 1 1009 . 1 . 1 82 82 LEU HD23 H 1 0.503 0.020 . 2 . . . . A 82 LEU HD23 . 34344 1 1010 . 1 . 1 82 82 LEU C C 13 179.841 0.3 . 1 . . . . A 82 LEU C . 34344 1 1011 . 1 . 1 82 82 LEU CA C 13 56.014 0.3 . 1 . . . . A 82 LEU CA . 34344 1 1012 . 1 . 1 82 82 LEU CB C 13 41.562 0.3 . 1 . . . . A 82 LEU CB . 34344 1 1013 . 1 . 1 82 82 LEU CG C 13 27.521 0.3 . 1 . . . . A 82 LEU CG . 34344 1 1014 . 1 . 1 82 82 LEU CD1 C 13 23.056 0.3 . 1 . . . . A 82 LEU CD1 . 34344 1 1015 . 1 . 1 82 82 LEU CD2 C 13 26.556 0.3 . 1 . . . . A 82 LEU CD2 . 34344 1 1016 . 1 . 1 82 82 LEU N N 15 117.175 0.3 . 1 . . . . A 82 LEU N . 34344 1 1017 . 1 . 1 83 83 SER H H 1 7.704 0.020 . 1 . . . . A 83 SER H . 34344 1 1018 . 1 . 1 83 83 SER HA H 1 4.333 0.020 . 1 . . . . A 83 SER HA . 34344 1 1019 . 1 . 1 83 83 SER HB2 H 1 4.085 0.020 . 1 . . . . A 83 SER HB2 . 34344 1 1020 . 1 . 1 83 83 SER HB3 H 1 4.085 0.020 . 1 . . . . A 83 SER HB3 . 34344 1 1021 . 1 . 1 83 83 SER C C 13 175.869 0.3 . 1 . . . . A 83 SER C . 34344 1 1022 . 1 . 1 83 83 SER CA C 13 61.710 0.3 . 1 . . . . A 83 SER CA . 34344 1 1023 . 1 . 1 83 83 SER CB C 13 62.675 0.3 . 1 . . . . A 83 SER CB . 34344 1 1024 . 1 . 1 83 83 SER N N 15 118.065 0.3 . 1 . . . . A 83 SER N . 34344 1 1025 . 1 . 1 84 84 GLY H H 1 7.852 0.020 . 1 . . . . A 84 GLY H . 34344 1 1026 . 1 . 1 84 84 GLY HA2 H 1 4.400 0.020 . 2 . . . . A 84 GLY HA2 . 34344 1 1027 . 1 . 1 84 84 GLY HA3 H 1 3.826 0.020 . 2 . . . . A 84 GLY HA3 . 34344 1 1028 . 1 . 1 84 84 GLY C C 13 174.424 0.3 . 1 . . . . A 84 GLY C . 34344 1 1029 . 1 . 1 84 84 GLY CA C 13 44.994 0.3 . 1 . . . . A 84 GLY CA . 34344 1 1030 . 1 . 1 84 84 GLY N N 15 108.017 0.3 . 1 . . . . A 84 GLY N . 34344 1 1031 . 1 . 1 85 85 GLY H H 1 7.615 0.020 . 1 . . . . A 85 GLY H . 34344 1 1032 . 1 . 1 85 85 GLY HA2 H 1 4.642 0.020 . 2 . . . . A 85 GLY HA2 . 34344 1 1033 . 1 . 1 85 85 GLY HA3 H 1 3.859 0.020 . 2 . . . . A 85 GLY HA3 . 34344 1 1034 . 1 . 1 85 85 GLY C C 13 172.896 0.3 . 1 . . . . A 85 GLY C . 34344 1 1035 . 1 . 1 85 85 GLY CA C 13 43.788 0.3 . 1 . . . . A 85 GLY CA . 34344 1 1036 . 1 . 1 85 85 GLY N N 15 108.855 0.3 . 1 . . . . A 85 GLY N . 34344 1 1037 . 1 . 1 86 86 ILE H H 1 7.081 0.020 . 1 . . . . A 86 ILE H . 34344 1 1038 . 1 . 1 86 86 ILE HA H 1 4.069 0.020 . 1 . . . . A 86 ILE HA . 34344 1 1039 . 1 . 1 86 86 ILE HB H 1 0.682 0.020 . 1 . . . . A 86 ILE HB . 34344 1 1040 . 1 . 1 86 86 ILE HG12 H 1 1.203 0.020 . 2 . . . . A 86 ILE HG12 . 34344 1 1041 . 1 . 1 86 86 ILE HG13 H 1 1.051 0.020 . 2 . . . . A 86 ILE HG13 . 34344 1 1042 . 1 . 1 86 86 ILE HG21 H 1 0.265 0.020 . 1 . . . . A 86 ILE HG21 . 34344 1 1043 . 1 . 1 86 86 ILE HG22 H 1 0.265 0.020 . 1 . . . . A 86 ILE HG22 . 34344 1 1044 . 1 . 1 86 86 ILE HG23 H 1 0.265 0.020 . 1 . . . . A 86 ILE HG23 . 34344 1 1045 . 1 . 1 86 86 ILE HD11 H 1 0.582 0.020 . 1 . . . . A 86 ILE HD11 . 34344 1 1046 . 1 . 1 86 86 ILE HD12 H 1 0.582 0.020 . 1 . . . . A 86 ILE HD12 . 34344 1 1047 . 1 . 1 86 86 ILE HD13 H 1 0.582 0.020 . 1 . . . . A 86 ILE HD13 . 34344 1 1048 . 1 . 1 86 86 ILE C C 13 176.852 0.3 . 1 . . . . A 86 ILE C . 34344 1 1049 . 1 . 1 86 86 ILE CA C 13 60.751 0.3 . 1 . . . . A 86 ILE CA . 34344 1 1050 . 1 . 1 86 86 ILE CB C 13 39.964 0.3 . 1 . . . . A 86 ILE CB . 34344 1 1051 . 1 . 1 86 86 ILE CG1 C 13 30.317 0.3 . 1 . . . . A 86 ILE CG1 . 34344 1 1052 . 1 . 1 86 86 ILE CG2 C 13 17.019 0.3 . 1 . . . . A 86 ILE CG2 . 34344 1 1053 . 1 . 1 86 86 ILE CD1 C 13 14.545 0.3 . 1 . . . . A 86 ILE CD1 . 34344 1 1054 . 1 . 1 86 86 ILE N N 15 118.286 0.3 . 1 . . . . A 86 ILE N . 34344 1 1055 . 1 . 1 87 87 ASP H H 1 8.045 0.020 . 1 . . . . A 87 ASP H . 34344 1 1056 . 1 . 1 87 87 ASP HA H 1 4.319 0.020 . 1 . . . . A 87 ASP HA . 34344 1 1057 . 1 . 1 87 87 ASP HB2 H 1 2.577 0.020 . 2 . . . . A 87 ASP HB2 . 34344 1 1058 . 1 . 1 87 87 ASP HB3 H 1 2.504 0.020 . 2 . . . . A 87 ASP HB3 . 34344 1 1059 . 1 . 1 87 87 ASP C C 13 177.395 0.3 . 1 . . . . A 87 ASP C . 34344 1 1060 . 1 . 1 87 87 ASP CA C 13 56.937 0.3 . 1 . . . . A 87 ASP CA . 34344 1 1061 . 1 . 1 87 87 ASP CB C 13 39.919 0.3 . 1 . . . . A 87 ASP CB . 34344 1 1062 . 1 . 1 87 87 ASP N N 15 124.343 0.3 . 1 . . . . A 87 ASP N . 34344 1 1063 . 1 . 1 88 88 GLY H H 1 8.356 0.020 . 1 . . . . A 88 GLY H . 34344 1 1064 . 1 . 1 88 88 GLY HA2 H 1 3.919 0.020 . 2 . . . . A 88 GLY HA2 . 34344 1 1065 . 1 . 1 88 88 GLY HA3 H 1 3.791 0.020 . 2 . . . . A 88 GLY HA3 . 34344 1 1066 . 1 . 1 88 88 GLY C C 13 173.983 0.3 . 1 . . . . A 88 GLY C . 34344 1 1067 . 1 . 1 88 88 GLY CA C 13 44.758 0.3 . 1 . . . . A 88 GLY CA . 34344 1 1068 . 1 . 1 88 88 GLY N N 15 108.686 0.3 . 1 . . . . A 88 GLY N . 34344 1 1069 . 1 . 1 89 89 PHE H H 1 7.471 0.020 . 1 . . . . A 89 PHE H . 34344 1 1070 . 1 . 1 89 89 PHE HA H 1 4.689 0.020 . 1 . . . . A 89 PHE HA . 34344 1 1071 . 1 . 1 89 89 PHE HB2 H 1 3.179 0.020 . 2 . . . . A 89 PHE HB2 . 34344 1 1072 . 1 . 1 89 89 PHE HB3 H 1 3.078 0.020 . 2 . . . . A 89 PHE HB3 . 34344 1 1073 . 1 . 1 89 89 PHE HD1 H 1 7.181 0.020 . 1 . . . . A 89 PHE HD1 . 34344 1 1074 . 1 . 1 89 89 PHE HD2 H 1 7.181 0.020 . 1 . . . . A 89 PHE HD2 . 34344 1 1075 . 1 . 1 89 89 PHE HE1 H 1 7.449 0.020 . 1 . . . . A 89 PHE HE1 . 34344 1 1076 . 1 . 1 89 89 PHE HE2 H 1 7.449 0.020 . 1 . . . . A 89 PHE HE2 . 34344 1 1077 . 1 . 1 89 89 PHE HZ H 1 7.113 0.020 . 1 . . . . A 89 PHE HZ . 34344 1 1078 . 1 . 1 89 89 PHE C C 13 175.297 0.3 . 1 . . . . A 89 PHE C . 34344 1 1079 . 1 . 1 89 89 PHE CA C 13 58.470 0.3 . 1 . . . . A 89 PHE CA . 34344 1 1080 . 1 . 1 89 89 PHE CB C 13 40.167 0.3 . 1 . . . . A 89 PHE CB . 34344 1 1081 . 1 . 1 89 89 PHE CD1 C 13 132.391 0.3 . 1 . . . . A 89 PHE CD1 . 34344 1 1082 . 1 . 1 89 89 PHE CD2 C 13 132.391 0.3 . 1 . . . . A 89 PHE CD2 . 34344 1 1083 . 1 . 1 89 89 PHE CE1 C 13 130.752 0.3 . 1 . . . . A 89 PHE CE1 . 34344 1 1084 . 1 . 1 89 89 PHE CE2 C 13 130.885 0.3 . 1 . . . . A 89 PHE CE2 . 34344 1 1085 . 1 . 1 89 89 PHE CZ C 13 127.988 0.3 . 1 . . . . A 89 PHE CZ . 34344 1 1086 . 1 . 1 89 89 PHE N N 15 122.191 0.3 . 1 . . . . A 89 PHE N . 34344 1 1087 . 1 . 1 90 90 GLY H H 1 7.716 0.020 . 1 . . . . A 90 GLY H . 34344 1 1088 . 1 . 1 90 90 GLY HA2 H 1 3.868 0.020 . 2 . . . . A 90 GLY HA2 . 34344 1 1089 . 1 . 1 90 90 GLY HA3 H 1 1.952 0.020 . 2 . . . . A 90 GLY HA3 . 34344 1 1090 . 1 . 1 90 90 GLY C C 13 173.274 0.3 . 1 . . . . A 90 GLY C . 34344 1 1091 . 1 . 1 90 90 GLY CA C 13 44.454 0.3 . 1 . . . . A 90 GLY CA . 34344 1 1092 . 1 . 1 90 90 GLY N N 15 116.236 0.3 . 1 . . . . A 90 GLY N . 34344 1 1093 . 1 . 1 91 91 SER H H 1 8.628 0.020 . 1 . . . . A 91 SER H . 34344 1 1094 . 1 . 1 91 91 SER HA H 1 3.879 0.020 . 1 . . . . A 91 SER HA . 34344 1 1095 . 1 . 1 91 91 SER HB2 H 1 3.847 0.020 . 1 . . . . A 91 SER HB2 . 34344 1 1096 . 1 . 1 91 91 SER HB3 H 1 3.847 0.020 . 1 . . . . A 91 SER HB3 . 34344 1 1097 . 1 . 1 91 91 SER C C 13 173.861 0.3 . 1 . . . . A 91 SER C . 34344 1 1098 . 1 . 1 91 91 SER CA C 13 60.659 0.3 . 1 . . . . A 91 SER CA . 34344 1 1099 . 1 . 1 91 91 SER CB C 13 62.848 0.3 . 1 . . . . A 91 SER CB . 34344 1 1100 . 1 . 1 91 91 SER N N 15 118.349 0.3 . 1 . . . . A 91 SER N . 34344 1 1101 . 1 . 1 92 92 ASN H H 1 8.625 0.020 . 1 . . . . A 92 ASN H . 34344 1 1102 . 1 . 1 92 92 ASN HA H 1 4.571 0.020 . 1 . . . . A 92 ASN HA . 34344 1 1103 . 1 . 1 92 92 ASN HB2 H 1 2.709 0.020 . 1 . . . . A 92 ASN HB2 . 34344 1 1104 . 1 . 1 92 92 ASN HB3 H 1 2.709 0.020 . 1 . . . . A 92 ASN HB3 . 34344 1 1105 . 1 . 1 92 92 ASN HD21 H 1 7.571 0.020 . 1 . . . . A 92 ASN HD21 . 34344 1 1106 . 1 . 1 92 92 ASN HD22 H 1 6.978 0.020 . 1 . . . . A 92 ASN HD22 . 34344 1 1107 . 1 . 1 92 92 ASN C C 13 175.596 0.3 . 1 . . . . A 92 ASN C . 34344 1 1108 . 1 . 1 92 92 ASN CA C 13 54.451 0.3 . 1 . . . . A 92 ASN CA . 34344 1 1109 . 1 . 1 92 92 ASN CB C 13 38.575 0.3 . 1 . . . . A 92 ASN CB . 34344 1 1110 . 1 . 1 92 92 ASN N N 15 116.595 0.3 . 1 . . . . A 92 ASN N . 34344 1 1111 . 1 . 1 92 92 ASN ND2 N 15 114.036 0.3 . 1 . . . . A 92 ASN ND2 . 34344 1 1112 . 1 . 1 93 93 ASN H H 1 7.595 0.020 . 1 . . . . A 93 ASN H . 34344 1 1113 . 1 . 1 93 93 ASN HA H 1 4.780 0.020 . 1 . . . . A 93 ASN HA . 34344 1 1114 . 1 . 1 93 93 ASN HB2 H 1 3.043 0.020 . 2 . . . . A 93 ASN HB2 . 34344 1 1115 . 1 . 1 93 93 ASN HB3 H 1 2.697 0.020 . 2 . . . . A 93 ASN HB3 . 34344 1 1116 . 1 . 1 93 93 ASN HD21 H 1 6.354 0.020 . 1 . . . . A 93 ASN HD21 . 34344 1 1117 . 1 . 1 93 93 ASN HD22 H 1 7.224 0.020 . 1 . . . . A 93 ASN HD22 . 34344 1 1118 . 1 . 1 93 93 ASN C C 13 174.904 0.3 . 1 . . . . A 93 ASN C . 34344 1 1119 . 1 . 1 93 93 ASN CA C 13 53.068 0.3 . 1 . . . . A 93 ASN CA . 34344 1 1120 . 1 . 1 93 93 ASN CB C 13 39.600 0.3 . 1 . . . . A 93 ASN CB . 34344 1 1121 . 1 . 1 93 93 ASN N N 15 114.622 0.3 . 1 . . . . A 93 ASN N . 34344 1 1122 . 1 . 1 93 93 ASN ND2 N 15 107.513 0.3 . 1 . . . . A 93 ASN ND2 . 34344 1 1123 . 1 . 1 94 94 ALA H H 1 8.312 0.020 . 1 . . . . A 94 ALA H . 34344 1 1124 . 1 . 1 94 94 ALA HA H 1 4.651 0.020 . 1 . . . . A 94 ALA HA . 34344 1 1125 . 1 . 1 94 94 ALA HB1 H 1 0.908 0.020 . 1 . . . . A 94 ALA HB1 . 34344 1 1126 . 1 . 1 94 94 ALA HB2 H 1 0.908 0.020 . 1 . . . . A 94 ALA HB2 . 34344 1 1127 . 1 . 1 94 94 ALA HB3 H 1 0.908 0.020 . 1 . . . . A 94 ALA HB3 . 34344 1 1128 . 1 . 1 94 94 ALA C C 13 174.713 0.3 . 1 . . . . A 94 ALA C . 34344 1 1129 . 1 . 1 94 94 ALA CA C 13 51.457 0.3 . 1 . . . . A 94 ALA CA . 34344 1 1130 . 1 . 1 94 94 ALA CB C 13 18.511 0.3 . 1 . . . . A 94 ALA CB . 34344 1 1131 . 1 . 1 94 94 ALA N N 15 123.962 0.3 . 1 . . . . A 94 ALA N . 34344 1 1132 . 1 . 1 95 95 VAL H H 1 8.324 0.020 . 1 . . . . A 95 VAL H . 34344 1 1133 . 1 . 1 95 95 VAL HA H 1 4.877 0.020 . 1 . . . . A 95 VAL HA . 34344 1 1134 . 1 . 1 95 95 VAL HB H 1 2.318 0.020 . 1 . . . . A 95 VAL HB . 34344 1 1135 . 1 . 1 95 95 VAL HG11 H 1 0.956 0.020 . 2 . . . . A 95 VAL HG11 . 34344 1 1136 . 1 . 1 95 95 VAL HG12 H 1 0.956 0.020 . 2 . . . . A 95 VAL HG12 . 34344 1 1137 . 1 . 1 95 95 VAL HG13 H 1 0.956 0.020 . 2 . . . . A 95 VAL HG13 . 34344 1 1138 . 1 . 1 95 95 VAL HG21 H 1 0.745 0.020 . 2 . . . . A 95 VAL HG21 . 34344 1 1139 . 1 . 1 95 95 VAL HG22 H 1 0.745 0.020 . 2 . . . . A 95 VAL HG22 . 34344 1 1140 . 1 . 1 95 95 VAL HG23 H 1 0.745 0.020 . 2 . . . . A 95 VAL HG23 . 34344 1 1141 . 1 . 1 95 95 VAL C C 13 177.148 0.3 . 1 . . . . A 95 VAL C . 34344 1 1142 . 1 . 1 95 95 VAL CA C 13 59.292 0.3 . 1 . . . . A 95 VAL CA . 34344 1 1143 . 1 . 1 95 95 VAL CB C 13 35.407 0.3 . 1 . . . . A 95 VAL CB . 34344 1 1144 . 1 . 1 95 95 VAL CG1 C 13 22.883 0.3 . 1 . . . . A 95 VAL CG1 . 34344 1 1145 . 1 . 1 95 95 VAL CG2 C 13 18.280 0.3 . 1 . . . . A 95 VAL CG2 . 34344 1 1146 . 1 . 1 95 95 VAL N N 15 117.324 0.3 . 1 . . . . A 95 VAL N . 34344 1 1147 . 1 . 1 96 96 THR H H 1 8.837 0.020 . 1 . . . . A 96 THR H . 34344 1 1148 . 1 . 1 96 96 THR HA H 1 4.342 0.020 . 1 . . . . A 96 THR HA . 34344 1 1149 . 1 . 1 96 96 THR HB H 1 4.175 0.020 . 1 . . . . A 96 THR HB . 34344 1 1150 . 1 . 1 96 96 THR HG21 H 1 0.363 0.020 . 1 . . . . A 96 THR HG21 . 34344 1 1151 . 1 . 1 96 96 THR HG22 H 1 0.363 0.020 . 1 . . . . A 96 THR HG22 . 34344 1 1152 . 1 . 1 96 96 THR HG23 H 1 0.363 0.020 . 1 . . . . A 96 THR HG23 . 34344 1 1153 . 1 . 1 96 96 THR C C 13 176.097 0.3 . 1 . . . . A 96 THR C . 34344 1 1154 . 1 . 1 96 96 THR CA C 13 60.488 0.3 . 1 . . . . A 96 THR CA . 34344 1 1155 . 1 . 1 96 96 THR CB C 13 71.282 0.3 . 1 . . . . A 96 THR CB . 34344 1 1156 . 1 . 1 96 96 THR CG2 C 13 21.339 0.3 . 1 . . . . A 96 THR CG2 . 34344 1 1157 . 1 . 1 96 96 THR N N 15 113.206 0.3 . 1 . . . . A 96 THR N . 34344 1 1158 . 1 . 1 97 97 THR H H 1 8.132 0.020 . 1 . . . . A 97 THR H . 34344 1 1159 . 1 . 1 97 97 THR HA H 1 4.439 0.020 . 1 . . . . A 97 THR HA . 34344 1 1160 . 1 . 1 97 97 THR HB H 1 4.514 0.020 . 1 . . . . A 97 THR HB . 34344 1 1161 . 1 . 1 97 97 THR HG21 H 1 1.170 0.020 . 1 . . . . A 97 THR HG21 . 34344 1 1162 . 1 . 1 97 97 THR HG22 H 1 1.170 0.020 . 1 . . . . A 97 THR HG22 . 34344 1 1163 . 1 . 1 97 97 THR HG23 H 1 1.170 0.020 . 1 . . . . A 97 THR HG23 . 34344 1 1164 . 1 . 1 97 97 THR CA C 13 60.965 0.3 . 1 . . . . A 97 THR CA . 34344 1 1165 . 1 . 1 97 97 THR CB C 13 67.876 0.3 . 1 . . . . A 97 THR CB . 34344 1 1166 . 1 . 1 97 97 THR CG2 C 13 21.567 0.3 . 1 . . . . A 97 THR CG2 . 34344 1 1167 . 1 . 1 97 97 THR N N 15 111.636 0.3 . 1 . . . . A 97 THR N . 34344 1 1168 . 1 . 1 98 98 CYS H H 1 7.573 0.020 . 1 . . . . A 98 CYS H . 34344 1 1169 . 1 . 1 98 98 CYS HA H 1 4.294 0.020 . 1 . . . . A 98 CYS HA . 34344 1 1170 . 1 . 1 98 98 CYS HB2 H 1 3.531 0.020 . 2 . . . . A 98 CYS HB2 . 34344 1 1171 . 1 . 1 98 98 CYS HB3 H 1 2.650 0.020 . 2 . . . . A 98 CYS HB3 . 34344 1 1172 . 1 . 1 98 98 CYS C C 13 174.165 0.3 . 1 . . . . A 98 CYS C . 34344 1 1173 . 1 . 1 98 98 CYS CA C 13 54.987 0.3 . 1 . . . . A 98 CYS CA . 34344 1 1174 . 1 . 1 98 98 CYS CB C 13 45.992 0.3 . 1 . . . . A 98 CYS CB . 34344 1 1175 . 1 . 1 98 98 CYS N N 15 118.937 0.3 . 1 . . . . A 98 CYS N . 34344 1 1176 . 1 . 1 99 99 GLY H H 1 8.631 0.020 . 1 . . . . A 99 GLY H . 34344 1 1177 . 1 . 1 99 99 GLY HA2 H 1 3.977 0.020 . 2 . . . . A 99 GLY HA2 . 34344 1 1178 . 1 . 1 99 99 GLY HA3 H 1 4.016 0.020 . 2 . . . . A 99 GLY HA3 . 34344 1 1179 . 1 . 1 99 99 GLY C C 13 173.878 0.3 . 1 . . . . A 99 GLY C . 34344 1 1180 . 1 . 1 99 99 GLY CA C 13 45.375 0.3 . 1 . . . . A 99 GLY CA . 34344 1 1181 . 1 . 1 99 99 GLY N N 15 109.665 0.3 . 1 . . . . A 99 GLY N . 34344 1 1182 . 1 . 1 100 100 ASN H H 1 8.347 0.020 . 1 . . . . A 100 ASN H . 34344 1 1183 . 1 . 1 100 100 ASN HA H 1 4.749 0.020 . 1 . . . . A 100 ASN HA . 34344 1 1184 . 1 . 1 100 100 ASN HB2 H 1 2.844 0.020 . 1 . . . . A 100 ASN HB2 . 34344 1 1185 . 1 . 1 100 100 ASN HB3 H 1 2.844 0.020 . 1 . . . . A 100 ASN HB3 . 34344 1 1186 . 1 . 1 100 100 ASN HD21 H 1 7.591 0.020 . 1 . . . . A 100 ASN HD21 . 34344 1 1187 . 1 . 1 100 100 ASN HD22 H 1 6.945 0.020 . 1 . . . . A 100 ASN HD22 . 34344 1 1188 . 1 . 1 100 100 ASN CA C 13 53.209 0.3 . 1 . . . . A 100 ASN CA . 34344 1 1189 . 1 . 1 100 100 ASN CB C 13 38.939 0.3 . 1 . . . . A 100 ASN CB . 34344 1 1190 . 1 . 1 100 100 ASN N N 15 118.654 0.3 . 1 . . . . A 100 ASN N . 34344 1 1191 . 1 . 1 100 100 ASN ND2 N 15 112.624 0.3 . 1 . . . . A 100 ASN ND2 . 34344 1 1192 . 1 . 1 101 101 GLY H H 1 8.520 0.020 . 1 . . . . A 101 GLY H . 34344 1 1193 . 1 . 1 101 101 GLY HA2 H 1 4.029 0.020 . 2 . . . . A 101 GLY HA2 . 34344 1 1194 . 1 . 1 101 101 GLY HA3 H 1 3.966 0.020 . 2 . . . . A 101 GLY HA3 . 34344 1 1195 . 1 . 1 101 101 GLY C C 13 173.470 0.3 . 1 . . . . A 101 GLY C . 34344 1 1196 . 1 . 1 101 101 GLY CA C 13 45.501 0.3 . 1 . . . . A 101 GLY CA . 34344 1 1197 . 1 . 1 101 101 GLY N N 15 110.104 0.3 . 1 . . . . A 101 GLY N . 34344 1 1198 . 1 . 1 102 102 SER H H 1 7.877 0.020 . 1 . . . . A 102 SER H . 34344 1 1199 . 1 . 1 102 102 SER HA H 1 4.295 0.020 . 1 . . . . A 102 SER HA . 34344 1 1200 . 1 . 1 102 102 SER HB2 H 1 3.853 0.020 . 1 . . . . A 102 SER HB2 . 34344 1 1201 . 1 . 1 102 102 SER HB3 H 1 3.853 0.020 . 1 . . . . A 102 SER HB3 . 34344 1 1202 . 1 . 1 102 102 SER C C 13 178.709 0.3 . 1 . . . . A 102 SER C . 34344 1 1203 . 1 . 1 102 102 SER CA C 13 59.884 0.3 . 1 . . . . A 102 SER CA . 34344 1 1204 . 1 . 1 102 102 SER CB C 13 64.781 0.3 . 1 . . . . A 102 SER CB . 34344 1 1205 . 1 . 1 102 102 SER N N 15 121.388 0.3 . 1 . . . . A 102 SER N . 34344 1 stop_ save_