data_34920 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34920 _Entry.Title ; Three-dimensional structure of the Merozoite surface protein 1 C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-13 _Entry.Accession_date 2024-06-13 _Entry.Last_release_date 2024-06-20 _Entry.Original_release_date 2024-06-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 N. Bier N. . . . 34920 2 S. Ramadan S. . . . 34920 3 R. Nedielkov R. . . . 34920 4 N. Klishin N. . . . 34920 5 H. Moeller H. M. . . 34920 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EGF-domain . 34920 'MEMBRANE PROTEIN' . 34920 Malaria . 34920 'Plasmodium berghei' . 34920 'dynamic N-terminus' . 34920 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34920 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 405 34920 '15N chemical shifts' 110 34920 '1H chemical shifts' 627 34920 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 . . 2025-12-15 . original BMRB . 34920 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9FP9 'BMRB Entry Tracking System' 34920 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34920 _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 ; Three-dimensional structure of the Merozoite surface protein 1 C-terminal domain from P. berghei ; _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 N. Bier N. . . . 34920 1 2 S. Ramadan S. . . . 34920 1 3 R. Nedielkov R. . . . 34920 1 4 N. Klishin N. . . . 34920 1 5 H. Moeller H. M. . . 34920 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34920 _Assembly.ID 1 _Assembly.Name 'Merozoite surface protein 1' _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 unit_1 1 $entity_1 A A yes . . . . . . 34920 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 17 17 SG . 1 . 1 CYS 29 29 SG . . . . . . . . . . . . 34920 1 2 disulfide single . 1 . 1 CYS 41 41 SG . 1 . 1 CYS 52 52 SG . . . . . . . . . . . . 34920 1 3 disulfide single . 1 . 1 CYS 60 60 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . . . 34920 1 4 disulfide single . 1 . 1 CYS 67 67 SG . 1 . 1 CYS 87 87 SG . . . . . . . . . . . . 34920 1 5 disulfide single . 1 . 1 CYS 89 89 SG . 1 . 1 CYS 103 103 SG . . . . . . . . . . . . 34920 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34920 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNMDSMDLLGIDPKHVCINT RDIPANAGCFRYDNGNEEWR CLLGYKKNNNTCIEDSNPTC GNNNGGCDPTAGCQTAENRE NSKKIICTCKEPTPNAYYDG VFCG ; _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 104 _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 'M1, G104' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11460.739 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Merozoite surface antigen' common 34920 1 PMMSA common 34920 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34920 1 2 . ASN . 34920 1 3 . MET . 34920 1 4 . ASP . 34920 1 5 . SER . 34920 1 6 . MET . 34920 1 7 . ASP . 34920 1 8 . LEU . 34920 1 9 . LEU . 34920 1 10 . GLY . 34920 1 11 . ILE . 34920 1 12 . ASP . 34920 1 13 . PRO . 34920 1 14 . LYS . 34920 1 15 . HIS . 34920 1 16 . VAL . 34920 1 17 . CYS . 34920 1 18 . ILE . 34920 1 19 . ASN . 34920 1 20 . THR . 34920 1 21 . ARG . 34920 1 22 . ASP . 34920 1 23 . ILE . 34920 1 24 . PRO . 34920 1 25 . ALA . 34920 1 26 . ASN . 34920 1 27 . ALA . 34920 1 28 . GLY . 34920 1 29 . CYS . 34920 1 30 . PHE . 34920 1 31 . ARG . 34920 1 32 . TYR . 34920 1 33 . ASP . 34920 1 34 . ASN . 34920 1 35 . GLY . 34920 1 36 . ASN . 34920 1 37 . GLU . 34920 1 38 . GLU . 34920 1 39 . TRP . 34920 1 40 . ARG . 34920 1 41 . CYS . 34920 1 42 . LEU . 34920 1 43 . LEU . 34920 1 44 . GLY . 34920 1 45 . TYR . 34920 1 46 . LYS . 34920 1 47 . LYS . 34920 1 48 . ASN . 34920 1 49 . ASN . 34920 1 50 . ASN . 34920 1 51 . THR . 34920 1 52 . CYS . 34920 1 53 . ILE . 34920 1 54 . GLU . 34920 1 55 . ASP . 34920 1 56 . SER . 34920 1 57 . ASN . 34920 1 58 . PRO . 34920 1 59 . THR . 34920 1 60 . CYS . 34920 1 61 . GLY . 34920 1 62 . ASN . 34920 1 63 . ASN . 34920 1 64 . ASN . 34920 1 65 . GLY . 34920 1 66 . GLY . 34920 1 67 . CYS . 34920 1 68 . ASP . 34920 1 69 . PRO . 34920 1 70 . THR . 34920 1 71 . ALA . 34920 1 72 . GLY . 34920 1 73 . CYS . 34920 1 74 . GLN . 34920 1 75 . THR . 34920 1 76 . ALA . 34920 1 77 . GLU . 34920 1 78 . ASN . 34920 1 79 . ARG . 34920 1 80 . GLU . 34920 1 81 . ASN . 34920 1 82 . SER . 34920 1 83 . LYS . 34920 1 84 . LYS . 34920 1 85 . ILE . 34920 1 86 . ILE . 34920 1 87 . CYS . 34920 1 88 . THR . 34920 1 89 . CYS . 34920 1 90 . LYS . 34920 1 91 . GLU . 34920 1 92 . PRO . 34920 1 93 . THR . 34920 1 94 . PRO . 34920 1 95 . ASN . 34920 1 96 . ALA . 34920 1 97 . TYR . 34920 1 98 . TYR . 34920 1 99 . ASP . 34920 1 100 . GLY . 34920 1 101 . VAL . 34920 1 102 . PHE . 34920 1 103 . CYS . 34920 1 104 . GLY . 34920 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34920 1 . ASN 2 2 34920 1 . MET 3 3 34920 1 . ASP 4 4 34920 1 . SER 5 5 34920 1 . MET 6 6 34920 1 . ASP 7 7 34920 1 . LEU 8 8 34920 1 . LEU 9 9 34920 1 . GLY 10 10 34920 1 . ILE 11 11 34920 1 . ASP 12 12 34920 1 . PRO 13 13 34920 1 . LYS 14 14 34920 1 . HIS 15 15 34920 1 . VAL 16 16 34920 1 . CYS 17 17 34920 1 . ILE 18 18 34920 1 . ASN 19 19 34920 1 . THR 20 20 34920 1 . ARG 21 21 34920 1 . ASP 22 22 34920 1 . ILE 23 23 34920 1 . PRO 24 24 34920 1 . ALA 25 25 34920 1 . ASN 26 26 34920 1 . ALA 27 27 34920 1 . GLY 28 28 34920 1 . CYS 29 29 34920 1 . PHE 30 30 34920 1 . ARG 31 31 34920 1 . TYR 32 32 34920 1 . ASP 33 33 34920 1 . ASN 34 34 34920 1 . GLY 35 35 34920 1 . ASN 36 36 34920 1 . GLU 37 37 34920 1 . GLU 38 38 34920 1 . TRP 39 39 34920 1 . ARG 40 40 34920 1 . CYS 41 41 34920 1 . LEU 42 42 34920 1 . LEU 43 43 34920 1 . GLY 44 44 34920 1 . TYR 45 45 34920 1 . LYS 46 46 34920 1 . LYS 47 47 34920 1 . ASN 48 48 34920 1 . ASN 49 49 34920 1 . ASN 50 50 34920 1 . THR 51 51 34920 1 . CYS 52 52 34920 1 . ILE 53 53 34920 1 . GLU 54 54 34920 1 . ASP 55 55 34920 1 . SER 56 56 34920 1 . ASN 57 57 34920 1 . PRO 58 58 34920 1 . THR 59 59 34920 1 . CYS 60 60 34920 1 . GLY 61 61 34920 1 . ASN 62 62 34920 1 . ASN 63 63 34920 1 . ASN 64 64 34920 1 . GLY 65 65 34920 1 . GLY 66 66 34920 1 . CYS 67 67 34920 1 . ASP 68 68 34920 1 . PRO 69 69 34920 1 . THR 70 70 34920 1 . ALA 71 71 34920 1 . GLY 72 72 34920 1 . CYS 73 73 34920 1 . GLN 74 74 34920 1 . THR 75 75 34920 1 . ALA 76 76 34920 1 . GLU 77 77 34920 1 . ASN 78 78 34920 1 . ARG 79 79 34920 1 . GLU 80 80 34920 1 . ASN 81 81 34920 1 . SER 82 82 34920 1 . LYS 83 83 34920 1 . LYS 84 84 34920 1 . ILE 85 85 34920 1 . ILE 86 86 34920 1 . CYS 87 87 34920 1 . THR 88 88 34920 1 . CYS 89 89 34920 1 . LYS 90 90 34920 1 . GLU 91 91 34920 1 . PRO 92 92 34920 1 . THR 93 93 34920 1 . PRO 94 94 34920 1 . ASN 95 95 34920 1 . ALA 96 96 34920 1 . TYR 97 97 34920 1 . TYR 98 98 34920 1 . ASP 99 99 34920 1 . GLY 100 100 34920 1 . VAL 101 101 34920 1 . PHE 102 102 34920 1 . CYS 103 103 34920 1 . GLY 104 104 34920 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 34920 _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 . 5821 organism . 'Plasmodium berghei' 'Plasmodium berghei' . . Eukaryota . Plasmodium berghei . . . . . . . . . . . 'MSP1, PBNK65NY_000166300' . 34920 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 34920 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34920 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34920 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.873 mM [U-99% 13C; U-98% 15N] MSP1-19, 25 mM Potassium dihydrogen phosphate, 50 mM Potassium chloride, 4 mM Sodium azide, 0.1 mM d6 DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 MSP1-19 '[U-99% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.873 . . mM . . . . 34920 1 2 'Potassium dihydrogen phosphate' none . . . . . . 25 . . mM . . . . 34920 1 3 'Potassium chloride' none . . . . . . 50 . . mM . . . . 34920 1 4 'Sodium azide' none . . . . . . 4 . . mM . . . . 34920 1 5 DSS d6 . . . . . . 0.1 . . mM . . . . 34920 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34920 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.741 mM [U-99% 13C; U-98% 15N] MSP1-19, 25 mM Potassium dideuterium phosphate, 50 mM Potassium chloride, 4 mM Sodium azide, 0.1 mM d6 DSS, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 MSP1-19 '[U-99% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.741 . . mM . . . . 34920 2 2 'Potassium chloride' none . . . . . . 50 . . mM . . . . 34920 2 3 'Sodium azide' none . . . . . . 4 . . mM . . . . 34920 2 4 DSS d6 . . . . . . 0.1 . . mM . . . . 34920 2 5 'Potassium dideuterium phosphate' none . . . . . . 25 . . mM . . . . 34920 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34920 _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' 187.5 . mM 34920 1 pH 6.5 . pH 34920 1 pressure 1 . atm 34920 1 temperature 298 . K 34920 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34920 _Sample_condition_list.ID 2 _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' 187.5 . mM 34920 2 pH 6.5 . pD 34920 2 pressure 1 . atm 34920 2 temperature 298 . K 34920 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34920 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34920 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34920 1 'peak picking' . 34920 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34920 _Software.ID 2 _Software.Type . _Software.Name ARTINA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Klukowski, P., Riek, R. and Guntert, P.' . . 34920 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34920 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34920 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.98.15 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34920 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34920 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34920 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34920 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34920 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34920 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Prodigy cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34920 _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 Bruker 'AVANCE III' . 600 . . . 34920 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 34920 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 7 '3D HBHANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 10 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 15 '3D HCCH-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 16 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 17 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 18 (HB)CB(CGCD)HD no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 1 19 (HB)CB(CGCDCE)HE no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34920 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 34920 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34920 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34920 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34920 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 34920 _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 '2D 1H-15N HSQC' . . . 34920 1 2 '2D 1H-13C HSQC aliphatic' . . . 34920 1 3 '2D 1H-13C HSQC aromatic' . . . 34920 1 4 '3D HNCO' . . . 34920 1 5 '3D HN(CA)CO' . . . 34920 1 6 '3D 1H-15N NOESY' . . . 34920 1 7 '3D HBHANH' . . . 34920 1 8 '3D HBHA(CO)NH' . . . 34920 1 9 '3D CBCA(CO)NH' . . . 34920 1 10 '3D HNCACB' . . . 34920 1 11 '3D H(CCO)NH' . . . 34920 1 12 '2D 1H-1H NOESY' . . . 34920 1 13 '3D 1H-15N TOCSY' . . . 34920 1 14 '3D HCCH-TOCSY' . . . 34920 1 15 '3D HCCH-COSY' . . . 34920 1 16 '3D C(CO)NH' . . . 34920 1 17 '3D 1H-13C NOESY aliphatic' . . . 34920 1 18 (HB)CB(CGCD)HD . . . 34920 1 19 (HB)CB(CGCDCE)HE . . . 34920 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 2 2 ASN HA H 1 4.760319068 0.0006655268 . . . . . . A 2 ASN HA . 34920 1 2 . 1 . 1 2 2 ASN HB2 H 1 2.807380816 0.0016181357 . . . . . . A 2 ASN HB2 . 34920 1 3 . 1 . 1 2 2 ASN HB3 H 1 2.888215687 0.001293945 . . . . . . A 2 ASN HB3 . 34920 1 4 . 1 . 1 2 2 ASN C C 13 175.086381 0.0017419169 . . . . . . A 2 ASN C . 34920 1 5 . 1 . 1 2 2 ASN CA C 13 53.42516417 0.0498696471 . . . . . . A 2 ASN CA . 34920 1 6 . 1 . 1 2 2 ASN CB C 13 38.89850726 0.1036134703 . . . . . . A 2 ASN CB . 34920 1 7 . 1 . 1 3 3 MET H H 1 8.648401346 0.0021845483 . . . . . . A 3 MET H . 34920 1 8 . 1 . 1 3 3 MET HA H 1 4.508687226 0.0009601557 . . . . . . A 3 MET HA . 34920 1 9 . 1 . 1 3 3 MET HB2 H 1 2.009368363 0.0004734642 . . . . . . A 3 MET HB2 . 34920 1 10 . 1 . 1 3 3 MET HB3 H 1 2.165652304 0.0004433856 . . . . . . A 3 MET HB3 . 34920 1 11 . 1 . 1 3 3 MET HG2 H 1 2.557061315 0.000248934 . . . . . . A 3 MET HG2 . 34920 1 12 . 1 . 1 3 3 MET HG3 H 1 2.639256875 0.0039814863 . . . . . . A 3 MET HG3 . 34920 1 13 . 1 . 1 3 3 MET HE1 H 1 2.053047449 0.004537058 . . . . . . A 3 MET HE1 . 34920 1 14 . 1 . 1 3 3 MET HE2 H 1 2.053047449 0.004537058 . . . . . . A 3 MET HE2 . 34920 1 15 . 1 . 1 3 3 MET HE3 H 1 2.053047449 0.004537058 . . . . . . A 3 MET HE3 . 34920 1 16 . 1 . 1 3 3 MET C C 13 176.1297446 0.0018474166 . . . . . . A 3 MET C . 34920 1 17 . 1 . 1 3 3 MET CA C 13 55.72426039 0.0248135048 . . . . . . A 3 MET CA . 34920 1 18 . 1 . 1 3 3 MET CB C 13 32.53296304 0.2156328661 . . . . . . A 3 MET CB . 34920 1 19 . 1 . 1 3 3 MET CG C 13 32.061444 . . . . . . . A 3 MET CG . 34920 1 20 . 1 . 1 3 3 MET CE C 13 16.93800297 0.0527031369 . . . . . . A 3 MET CE . 34920 1 21 . 1 . 1 3 3 MET N N 15 121.8913075 0.0478077655 . . . . . . A 3 MET N . 34920 1 22 . 1 . 1 4 4 ASP H H 1 8.398309374 0.0015601501 . . . . . . A 4 ASP H . 34920 1 23 . 1 . 1 4 4 ASP HA H 1 4.606766605 0.0045512142 . . . . . . A 4 ASP HA . 34920 1 24 . 1 . 1 4 4 ASP HB2 H 1 2.715614029 0.0062157618 . . . . . . A 4 ASP HB2 . 34920 1 25 . 1 . 1 4 4 ASP HB3 H 1 2.715614029 0.0062157618 . . . . . . A 4 ASP HB3 . 34920 1 26 . 1 . 1 4 4 ASP C C 13 176.5609416 0.001913335 . . . . . . A 4 ASP C . 34920 1 27 . 1 . 1 4 4 ASP CA C 13 54.72648568 0.1298394701 . . . . . . A 4 ASP CA . 34920 1 28 . 1 . 1 4 4 ASP CB C 13 41.18457225 0.0803431502 . . . . . . A 4 ASP CB . 34920 1 29 . 1 . 1 4 4 ASP N N 15 120.958694 0.0571537765 . . . . . . A 4 ASP N . 34920 1 30 . 1 . 1 5 5 SER H H 1 8.181915866 0.0012009732 . . . . . . A 5 SER H . 34920 1 31 . 1 . 1 5 5 SER HA H 1 4.41304738 0.0043924786 . . . . . . A 5 SER HA . 34920 1 32 . 1 . 1 5 5 SER HB2 H 1 3.911513561 0.0119885872 . . . . . . A 5 SER HB2 . 34920 1 33 . 1 . 1 5 5 SER HB3 H 1 3.911513561 0.0119885872 . . . . . . A 5 SER HB3 . 34920 1 34 . 1 . 1 5 5 SER C C 13 175.0134354 0.0078287645 . . . . . . A 5 SER C . 34920 1 35 . 1 . 1 5 5 SER CA C 13 58.83116327 0.0677976431 . . . . . . A 5 SER CA . 34920 1 36 . 1 . 1 5 5 SER CB C 13 63.5690877 0.0234648552 . . . . . . A 5 SER CB . 34920 1 37 . 1 . 1 5 5 SER N N 15 115.4165625 0.0071602359 . . . . . . A 5 SER N . 34920 1 38 . 1 . 1 6 6 MET H H 1 8.374244339 0.0016043291 . . . . . . A 6 MET H . 34920 1 39 . 1 . 1 6 6 MET HA H 1 4.448207579 0.016014789 . . . . . . A 6 MET HA . 34920 1 40 . 1 . 1 6 6 MET HB2 H 1 2.057835983 0.0046744099 . . . . . . A 6 MET HB2 . 34920 1 41 . 1 . 1 6 6 MET HB3 H 1 2.126780229 0.0002917168 . . . . . . A 6 MET HB3 . 34920 1 42 . 1 . 1 6 6 MET HG2 H 1 2.553969754 . . . . . . . A 6 MET HG2 . 34920 1 43 . 1 . 1 6 6 MET HG3 H 1 2.636403075 . . . . . . . A 6 MET HG3 . 34920 1 44 . 1 . 1 6 6 MET C C 13 176.3618198 0.0021470952 . . . . . . A 6 MET C . 34920 1 45 . 1 . 1 6 6 MET CA C 13 56.07347393 0.0784061379 . . . . . . A 6 MET CA . 34920 1 46 . 1 . 1 6 6 MET CB C 13 32.59688275 0.1673309278 . . . . . . A 6 MET CB . 34920 1 47 . 1 . 1 6 6 MET N N 15 121.9204318 0.0396886933 . . . . . . A 6 MET N . 34920 1 48 . 1 . 1 7 7 ASP H H 1 8.294872272 0.0034013072 . . . . . . A 7 ASP H . 34920 1 49 . 1 . 1 7 7 ASP HA H 1 4.578474849 0.0016183874 . . . . . . A 7 ASP HA . 34920 1 50 . 1 . 1 7 7 ASP HB2 H 1 2.639342768 0.0045197875 . . . . . . A 7 ASP HB2 . 34920 1 51 . 1 . 1 7 7 ASP HB3 H 1 2.72519699 0.0028653107 . . . . . . A 7 ASP HB3 . 34920 1 52 . 1 . 1 7 7 ASP C C 13 176.6252411 0.0029634649 . . . . . . A 7 ASP C . 34920 1 53 . 1 . 1 7 7 ASP CA C 13 54.76644033 0.0850003245 . . . . . . A 7 ASP CA . 34920 1 54 . 1 . 1 7 7 ASP CB C 13 41.00987188 0.0674203001 . . . . . . A 7 ASP CB . 34920 1 55 . 1 . 1 7 7 ASP N N 15 120.8843949 0.0307939017 . . . . . . A 7 ASP N . 34920 1 56 . 1 . 1 8 8 LEU H H 1 8.103628921 0.0039879802 . . . . . . A 8 LEU H . 34920 1 57 . 1 . 1 8 8 LEU HA H 1 4.330017475 0.0022934106 . . . . . . A 8 LEU HA . 34920 1 58 . 1 . 1 8 8 LEU HB2 H 1 1.650455992 0.0051515287 . . . . . . A 8 LEU HB2 . 34920 1 59 . 1 . 1 8 8 LEU HB3 H 1 1.694115624 0.0050319093 . . . . . . A 8 LEU HB3 . 34920 1 60 . 1 . 1 8 8 LEU HG H 1 1.246786267 0.0059178618 . . . . . . A 8 LEU HG . 34920 1 61 . 1 . 1 8 8 LEU HD11 H 1 0.8858618772 . . . . . . . A 8 LEU HD11 . 34920 1 62 . 1 . 1 8 8 LEU HD12 H 1 0.8858618772 . . . . . . . A 8 LEU HD12 . 34920 1 63 . 1 . 1 8 8 LEU HD13 H 1 0.8858618772 . . . . . . . A 8 LEU HD13 . 34920 1 64 . 1 . 1 8 8 LEU HD21 H 1 0.9485191506 0.0003237532 . . . . . . A 8 LEU HD21 . 34920 1 65 . 1 . 1 8 8 LEU HD22 H 1 0.9485191506 0.0003237532 . . . . . . A 8 LEU HD22 . 34920 1 66 . 1 . 1 8 8 LEU HD23 H 1 0.9485191506 0.0003237532 . . . . . . A 8 LEU HD23 . 34920 1 67 . 1 . 1 8 8 LEU C C 13 177.6866571 0.0017389539 . . . . . . A 8 LEU C . 34920 1 68 . 1 . 1 8 8 LEU CA C 13 55.61822182 0.0860298849 . . . . . . A 8 LEU CA . 34920 1 69 . 1 . 1 8 8 LEU CB C 13 42.18274553 0.0429940322 . . . . . . A 8 LEU CB . 34920 1 70 . 1 . 1 8 8 LEU CG C 13 26.94265384 0.3337027917 . . . . . . A 8 LEU CG . 34920 1 71 . 1 . 1 8 8 LEU CD1 C 13 23.51293519 . . . . . . . A 8 LEU CD1 . 34920 1 72 . 1 . 1 8 8 LEU CD2 C 13 25.19192998 0.0652981978 . . . . . . A 8 LEU CD2 . 34920 1 73 . 1 . 1 8 8 LEU N N 15 121.9286549 0.0260667774 . . . . . . A 8 LEU N . 34920 1 74 . 1 . 1 9 9 LEU H H 1 8.109426665 0.0015871491 . . . . . . A 9 LEU H . 34920 1 75 . 1 . 1 9 9 LEU HA H 1 4.336600183 0.0016050334 . . . . . . A 9 LEU HA . 34920 1 76 . 1 . 1 9 9 LEU HB2 H 1 1.65805385 0.0386016586 . . . . . . A 9 LEU HB2 . 34920 1 77 . 1 . 1 9 9 LEU HB3 H 1 1.770700592 0.0037361016 . . . . . . A 9 LEU HB3 . 34920 1 78 . 1 . 1 9 9 LEU HG H 1 0.9534007006 . . . . . . . A 9 LEU HG . 34920 1 79 . 1 . 1 9 9 LEU HD11 H 1 0.8961151001 0.005442753 . . . . . . A 9 LEU HD11 . 34920 1 80 . 1 . 1 9 9 LEU HD12 H 1 0.8961151001 0.005442753 . . . . . . A 9 LEU HD12 . 34920 1 81 . 1 . 1 9 9 LEU HD13 H 1 0.8961151001 0.005442753 . . . . . . A 9 LEU HD13 . 34920 1 82 . 1 . 1 9 9 LEU HD21 H 1 0.9617808398 0.0057130347 . . . . . . A 9 LEU HD21 . 34920 1 83 . 1 . 1 9 9 LEU HD22 H 1 0.9617808398 0.0057130347 . . . . . . A 9 LEU HD22 . 34920 1 84 . 1 . 1 9 9 LEU HD23 H 1 0.9617808398 0.0057130347 . . . . . . A 9 LEU HD23 . 34920 1 85 . 1 . 1 9 9 LEU C C 13 178.0041872 0.0016268242 . . . . . . A 9 LEU C . 34920 1 86 . 1 . 1 9 9 LEU CA C 13 55.56631042 0.0933688526 . . . . . . A 9 LEU CA . 34920 1 87 . 1 . 1 9 9 LEU CB C 13 42.30192853 0.1235689761 . . . . . . A 9 LEU CB . 34920 1 88 . 1 . 1 9 9 LEU CG C 13 27.07905487 0.3310588307 . . . . . . A 9 LEU CG . 34920 1 89 . 1 . 1 9 9 LEU CD1 C 13 23.48453056 0.0163475773 . . . . . . A 9 LEU CD1 . 34920 1 90 . 1 . 1 9 9 LEU CD2 C 13 25.12675916 0.0566512671 . . . . . . A 9 LEU CD2 . 34920 1 91 . 1 . 1 9 9 LEU N N 15 120.9278956 0.0401684801 . . . . . . A 9 LEU N . 34920 1 92 . 1 . 1 10 10 GLY H H 1 8.261249821 0.0012111362 . . . . . . A 10 GLY H . 34920 1 93 . 1 . 1 10 10 GLY HA2 H 1 3.900125929 0.0061021465 . . . . . . A 10 GLY HA2 . 34920 1 94 . 1 . 1 10 10 GLY HA3 H 1 3.947648224 0.0117044372 . . . . . . A 10 GLY HA3 . 34920 1 95 . 1 . 1 10 10 GLY C C 13 173.7804351 0.0005490249 . . . . . . A 10 GLY C . 34920 1 96 . 1 . 1 10 10 GLY CA C 13 45.55894964 0.108798036 . . . . . . A 10 GLY CA . 34920 1 97 . 1 . 1 10 10 GLY N N 15 108.8635541 0.0081344658 . . . . . . A 10 GLY N . 34920 1 98 . 1 . 1 11 11 ILE H H 1 7.679466825 0.001619522 . . . . . . A 11 ILE H . 34920 1 99 . 1 . 1 11 11 ILE HA H 1 4.218021602 0.0026070162 . . . . . . A 11 ILE HA . 34920 1 100 . 1 . 1 11 11 ILE HB H 1 1.814188317 0.0055594971 . . . . . . A 11 ILE HB . 34920 1 101 . 1 . 1 11 11 ILE HG12 H 1 1.409491828 0.0046328112 . . . . . . A 11 ILE HG12 . 34920 1 102 . 1 . 1 11 11 ILE HG13 H 1 1.168313348 0.0055974211 . . . . . . A 11 ILE HG13 . 34920 1 103 . 1 . 1 11 11 ILE HG21 H 1 0.8163866646 0.0105692315 . . . . . . A 11 ILE HG21 . 34920 1 104 . 1 . 1 11 11 ILE HG22 H 1 0.8163866646 0.0105692315 . . . . . . A 11 ILE HG22 . 34920 1 105 . 1 . 1 11 11 ILE HG23 H 1 0.8163866646 0.0105692315 . . . . . . A 11 ILE HG23 . 34920 1 106 . 1 . 1 11 11 ILE HD11 H 1 0.7862817077 0.0074625911 . . . . . . A 11 ILE HD11 . 34920 1 107 . 1 . 1 11 11 ILE HD12 H 1 0.7862817077 0.0074625911 . . . . . . A 11 ILE HD12 . 34920 1 108 . 1 . 1 11 11 ILE HD13 H 1 0.7862817077 0.0074625911 . . . . . . A 11 ILE HD13 . 34920 1 109 . 1 . 1 11 11 ILE C C 13 174.8684411 0.0011223268 . . . . . . A 11 ILE C . 34920 1 110 . 1 . 1 11 11 ILE CA C 13 60.2865363 0.0927007698 . . . . . . A 11 ILE CA . 34920 1 111 . 1 . 1 11 11 ILE CB C 13 39.61688735 0.0826573548 . . . . . . A 11 ILE CB . 34920 1 112 . 1 . 1 11 11 ILE CG1 C 13 27.29903433 0.2144555761 . . . . . . A 11 ILE CG1 . 34920 1 113 . 1 . 1 11 11 ILE CG2 C 13 17.50946518 0.1468668139 . . . . . . A 11 ILE CG2 . 34920 1 114 . 1 . 1 11 11 ILE CD1 C 13 13.53596786 0.1164217511 . . . . . . A 11 ILE CD1 . 34920 1 115 . 1 . 1 11 11 ILE N N 15 118.8649035 0.0429650498 . . . . . . A 11 ILE N . 34920 1 116 . 1 . 1 12 12 ASP H H 1 8.162767286 0.0023338385 . . . . . . A 12 ASP H . 34920 1 117 . 1 . 1 12 12 ASP HA H 1 4.840732679 0.0034328013 . . . . . . A 12 ASP HA . 34920 1 118 . 1 . 1 12 12 ASP HB2 H 1 2.764150524 0.0084644924 . . . . . . A 12 ASP HB2 . 34920 1 119 . 1 . 1 12 12 ASP HB3 H 1 2.792301915 0.0001476148 . . . . . . A 12 ASP HB3 . 34920 1 120 . 1 . 1 12 12 ASP C C 13 175.2677758 . . . . . . . A 12 ASP C . 34920 1 121 . 1 . 1 12 12 ASP CA C 13 51.95059578 0.1196320542 . . . . . . A 12 ASP CA . 34920 1 122 . 1 . 1 12 12 ASP CB C 13 41.78366341 0.1531022609 . . . . . . A 12 ASP CB . 34920 1 123 . 1 . 1 12 12 ASP N N 15 125.4300764 0.0519038798 . . . . . . A 12 ASP N . 34920 1 124 . 1 . 1 13 13 PRO HA H 1 4.267359598 0.0046485693 . . . . . . A 13 PRO HA . 34920 1 125 . 1 . 1 13 13 PRO HB2 H 1 2.329318255 0.0034499239 . . . . . . A 13 PRO HB2 . 34920 1 126 . 1 . 1 13 13 PRO HB3 H 1 1.941835395 0.0054627305 . . . . . . A 13 PRO HB3 . 34920 1 127 . 1 . 1 13 13 PRO HG2 H 1 2.020452778 0.0027954436 . . . . . . A 13 PRO HG2 . 34920 1 128 . 1 . 1 13 13 PRO HG3 H 1 2.020452778 0.0027954436 . . . . . . A 13 PRO HG3 . 34920 1 129 . 1 . 1 13 13 PRO HD2 H 1 3.868756483 0.0011740301 . . . . . . A 13 PRO HD2 . 34920 1 130 . 1 . 1 13 13 PRO HD3 H 1 3.9500783 0.0042886661 . . . . . . A 13 PRO HD3 . 34920 1 131 . 1 . 1 13 13 PRO C C 13 178.2150158 0.0035572415 . . . . . . A 13 PRO C . 34920 1 132 . 1 . 1 13 13 PRO CA C 13 64.63969112 0.0924243379 . . . . . . A 13 PRO CA . 34920 1 133 . 1 . 1 13 13 PRO CB C 13 32.26090647 0.1156074577 . . . . . . A 13 PRO CB . 34920 1 134 . 1 . 1 13 13 PRO CG C 13 27.22784158 0.0972208981 . . . . . . A 13 PRO CG . 34920 1 135 . 1 . 1 13 13 PRO CD C 13 51.27651653 0.0979207986 . . . . . . A 13 PRO CD . 34920 1 136 . 1 . 1 14 14 LYS H H 1 8.351999993 0.0021316621 . . . . . . A 14 LYS H . 34920 1 137 . 1 . 1 14 14 LYS HA H 1 3.971468163 0.0060245904 . . . . . . A 14 LYS HA . 34920 1 138 . 1 . 1 14 14 LYS HB2 H 1 1.366420316 0.0066036676 . . . . . . A 14 LYS HB2 . 34920 1 139 . 1 . 1 14 14 LYS HB3 H 1 1.567573272 0.0101779628 . . . . . . A 14 LYS HB3 . 34920 1 140 . 1 . 1 14 14 LYS HG2 H 1 1.048862426 0.0036015327 . . . . . . A 14 LYS HG2 . 34920 1 141 . 1 . 1 14 14 LYS HG3 H 1 1.048862426 0.0036015327 . . . . . . A 14 LYS HG3 . 34920 1 142 . 1 . 1 14 14 LYS HD2 H 1 1.5323978 0.0028367038 . . . . . . A 14 LYS HD2 . 34920 1 143 . 1 . 1 14 14 LYS HD3 H 1 1.5323978 0.0028367038 . . . . . . A 14 LYS HD3 . 34920 1 144 . 1 . 1 14 14 LYS HE2 H 1 2.863699901 0.0062563187 . . . . . . A 14 LYS HE2 . 34920 1 145 . 1 . 1 14 14 LYS HE3 H 1 2.863699901 0.0062563187 . . . . . . A 14 LYS HE3 . 34920 1 146 . 1 . 1 14 14 LYS C C 13 176.7332708 0.0039026474 . . . . . . A 14 LYS C . 34920 1 147 . 1 . 1 14 14 LYS CA C 13 58.0074949 0.0834417072 . . . . . . A 14 LYS CA . 34920 1 148 . 1 . 1 14 14 LYS CB C 13 31.84830771 0.1521801944 . . . . . . A 14 LYS CB . 34920 1 149 . 1 . 1 14 14 LYS CG C 13 24.02061271 0 . . . . . . A 14 LYS CG . 34920 1 150 . 1 . 1 14 14 LYS CE C 13 41.63364874 0.1057707384 . . . . . . A 14 LYS CE . 34920 1 151 . 1 . 1 14 14 LYS N N 15 117.6962291 0.0422440837 . . . . . . A 14 LYS N . 34920 1 152 . 1 . 1 15 15 HIS H H 1 7.963865636 0.0028710956 . . . . . . A 15 HIS H . 34920 1 153 . 1 . 1 15 15 HIS HB2 H 1 2.390334761 . . . . . . . A 15 HIS HB2 . 34920 1 154 . 1 . 1 15 15 HIS HB3 H 1 2.390334761 . . . . . . . A 15 HIS HB3 . 34920 1 155 . 1 . 1 15 15 HIS HD2 H 1 7.187320669 0.0016958201 . . . . . . A 15 HIS HD2 . 34920 1 156 . 1 . 1 15 15 HIS HE1 H 1 8.712069492 0.0095992432 . . . . . . A 15 HIS HE1 . 34920 1 157 . 1 . 1 15 15 HIS C C 13 173.954184 0.0080003263 . . . . . . A 15 HIS C . 34920 1 158 . 1 . 1 15 15 HIS CA C 13 54.51438492 0.0086777442 . . . . . . A 15 HIS CA . 34920 1 159 . 1 . 1 15 15 HIS CB C 13 28.76150687 0.0317442742 . . . . . . A 15 HIS CB . 34920 1 160 . 1 . 1 15 15 HIS CD2 C 13 120.7816836 0.2221712554 . . . . . . A 15 HIS CD2 . 34920 1 161 . 1 . 1 15 15 HIS CE1 C 13 136.3822288 0.0704969558 . . . . . . A 15 HIS CE1 . 34920 1 162 . 1 . 1 15 15 HIS N N 15 113.2318207 0.0198062113 . . . . . . A 15 HIS N . 34920 1 163 . 1 . 1 16 16 VAL H H 1 7.058605795 0.0042575807 . . . . . . A 16 VAL H . 34920 1 164 . 1 . 1 16 16 VAL HA H 1 4.008431048 0.0065296429 . . . . . . A 16 VAL HA . 34920 1 165 . 1 . 1 16 16 VAL HB H 1 1.911253349 0.0043715057 . . . . . . A 16 VAL HB . 34920 1 166 . 1 . 1 16 16 VAL HG11 H 1 0.9329571941 0.0063332772 . . . . . . A 16 VAL HG11 . 34920 1 167 . 1 . 1 16 16 VAL HG12 H 1 0.9329571941 0.0063332772 . . . . . . A 16 VAL HG12 . 34920 1 168 . 1 . 1 16 16 VAL HG13 H 1 0.9329571941 0.0063332772 . . . . . . A 16 VAL HG13 . 34920 1 169 . 1 . 1 16 16 VAL HG21 H 1 0.9797260417 0.0062420133 . . . . . . A 16 VAL HG21 . 34920 1 170 . 1 . 1 16 16 VAL HG22 H 1 0.9797260417 0.0062420133 . . . . . . A 16 VAL HG22 . 34920 1 171 . 1 . 1 16 16 VAL HG23 H 1 0.9797260417 0.0062420133 . . . . . . A 16 VAL HG23 . 34920 1 172 . 1 . 1 16 16 VAL C C 13 175.8153152 0.0014818331 . . . . . . A 16 VAL C . 34920 1 173 . 1 . 1 16 16 VAL CA C 13 62.1204004 0.0739102359 . . . . . . A 16 VAL CA . 34920 1 174 . 1 . 1 16 16 VAL CB C 13 32.54451151 0.0608112273 . . . . . . A 16 VAL CB . 34920 1 175 . 1 . 1 16 16 VAL CG1 C 13 20.88458041 0.0679015116 . . . . . . A 16 VAL CG1 . 34920 1 176 . 1 . 1 16 16 VAL CG2 C 13 22.75731191 0.0528584231 . . . . . . A 16 VAL CG2 . 34920 1 177 . 1 . 1 16 16 VAL N N 15 122.6690916 0.1411260072 . . . . . . A 16 VAL N . 34920 1 178 . 1 . 1 17 17 CYS H H 1 9.023274072 0.003176033 . . . . . . A 17 CYS H . 34920 1 179 . 1 . 1 17 17 CYS HA H 1 3.898546569 0.0050482918 . . . . . . A 17 CYS HA . 34920 1 180 . 1 . 1 17 17 CYS HB2 H 1 3.112868809 0.0060151923 . . . . . . A 17 CYS HB2 . 34920 1 181 . 1 . 1 17 17 CYS HB3 H 1 3.273265054 0.0103185614 . . . . . . A 17 CYS HB3 . 34920 1 182 . 1 . 1 17 17 CYS C C 13 173.9161433 0.0083776608 . . . . . . A 17 CYS C . 34920 1 183 . 1 . 1 17 17 CYS CA C 13 56.74818512 0.0776018143 . . . . . . A 17 CYS CA . 34920 1 184 . 1 . 1 17 17 CYS CB C 13 41.5507328 0.0904439832 . . . . . . A 17 CYS CB . 34920 1 185 . 1 . 1 17 17 CYS N N 15 124.8973227 0.0632638779 . . . . . . A 17 CYS N . 34920 1 186 . 1 . 1 18 18 ILE H H 1 10.06881517 0.004627532 . . . . . . A 18 ILE H . 34920 1 187 . 1 . 1 18 18 ILE HA H 1 4.344179753 0.0031499219 . . . . . . A 18 ILE HA . 34920 1 188 . 1 . 1 18 18 ILE HB H 1 1.825797701 0.0033658129 . . . . . . A 18 ILE HB . 34920 1 189 . 1 . 1 18 18 ILE HG12 H 1 0.9667532445 0.0078308877 . . . . . . A 18 ILE HG12 . 34920 1 190 . 1 . 1 18 18 ILE HG13 H 1 1.344359996 0.003473083 . . . . . . A 18 ILE HG13 . 34920 1 191 . 1 . 1 18 18 ILE HG21 H 1 0.8962045698 0.0528712148 . . . . . . A 18 ILE HG21 . 34920 1 192 . 1 . 1 18 18 ILE HG22 H 1 0.8962045698 0.0528712148 . . . . . . A 18 ILE HG22 . 34920 1 193 . 1 . 1 18 18 ILE HG23 H 1 0.8962045698 0.0528712148 . . . . . . A 18 ILE HG23 . 34920 1 194 . 1 . 1 18 18 ILE HD11 H 1 0.7673638773 0.0116888446 . . . . . . A 18 ILE HD11 . 34920 1 195 . 1 . 1 18 18 ILE HD12 H 1 0.7673638773 0.0116888446 . . . . . . A 18 ILE HD12 . 34920 1 196 . 1 . 1 18 18 ILE HD13 H 1 0.7673638773 0.0116888446 . . . . . . A 18 ILE HD13 . 34920 1 197 . 1 . 1 18 18 ILE C C 13 176.6016156 0.0017466367 . . . . . . A 18 ILE C . 34920 1 198 . 1 . 1 18 18 ILE CA C 13 61.84876386 0.1759830766 . . . . . . A 18 ILE CA . 34920 1 199 . 1 . 1 18 18 ILE CB C 13 40.90671271 0.0632336489 . . . . . . A 18 ILE CB . 34920 1 200 . 1 . 1 18 18 ILE CG1 C 13 26.64084107 0.173951362 . . . . . . A 18 ILE CG1 . 34920 1 201 . 1 . 1 18 18 ILE CG2 C 13 17.61756181 0.1175310013 . . . . . . A 18 ILE CG2 . 34920 1 202 . 1 . 1 18 18 ILE CD1 C 13 13.05679293 0.1201669273 . . . . . . A 18 ILE CD1 . 34920 1 203 . 1 . 1 18 18 ILE N N 15 119.8115791 0.0191587663 . . . . . . A 18 ILE N . 34920 1 204 . 1 . 1 19 19 ASN H H 1 9.605868432 0.0044656428 . . . . . . A 19 ASN H . 34920 1 205 . 1 . 1 19 19 ASN HA H 1 4.97063644 0.0048415578 . . . . . . A 19 ASN HA . 34920 1 206 . 1 . 1 19 19 ASN HB2 H 1 2.57134112 0.0032438684 . . . . . . A 19 ASN HB2 . 34920 1 207 . 1 . 1 19 19 ASN HB3 H 1 2.877188077 0.0043971343 . . . . . . A 19 ASN HB3 . 34920 1 208 . 1 . 1 19 19 ASN HD21 H 1 6.951663349 0.0023407072 . . . . . . A 19 ASN HD21 . 34920 1 209 . 1 . 1 19 19 ASN HD22 H 1 7.683190984 0.0012116509 . . . . . . A 19 ASN HD22 . 34920 1 210 . 1 . 1 19 19 ASN C C 13 175.6670749 0.0039282812 . . . . . . A 19 ASN C . 34920 1 211 . 1 . 1 19 19 ASN CA C 13 53.77954764 0.0582714213 . . . . . . A 19 ASN CA . 34920 1 212 . 1 . 1 19 19 ASN CB C 13 40.10075087 0.0993692417 . . . . . . A 19 ASN CB . 34920 1 213 . 1 . 1 19 19 ASN CG C 13 177.1511119 0.1721704743 . . . . . . A 19 ASN CG . 34920 1 214 . 1 . 1 19 19 ASN N N 15 123.3826242 0.1065207325 . . . . . . A 19 ASN N . 34920 1 215 . 1 . 1 19 19 ASN ND2 N 15 113.2098544 0.0115341604 . . . . . . A 19 ASN ND2 . 34920 1 216 . 1 . 1 20 20 THR H H 1 8.319965049 0.0029135948 . . . . . . A 20 THR H . 34920 1 217 . 1 . 1 20 20 THR HA H 1 4.205021162 0.0053866593 . . . . . . A 20 THR HA . 34920 1 218 . 1 . 1 20 20 THR HB H 1 4.150741861 0.0070630783 . . . . . . A 20 THR HB . 34920 1 219 . 1 . 1 20 20 THR HG21 H 1 1.219255292 0.0007182036 . . . . . . A 20 THR HG21 . 34920 1 220 . 1 . 1 20 20 THR HG22 H 1 1.219255292 0.0007182036 . . . . . . A 20 THR HG22 . 34920 1 221 . 1 . 1 20 20 THR HG23 H 1 1.219255292 0.0007182036 . . . . . . A 20 THR HG23 . 34920 1 222 . 1 . 1 20 20 THR C C 13 174.0695379 0.0063687282 . . . . . . A 20 THR C . 34920 1 223 . 1 . 1 20 20 THR CA C 13 63.61066875 0.0886018488 . . . . . . A 20 THR CA . 34920 1 224 . 1 . 1 20 20 THR CB C 13 69.37977622 0.2436195235 . . . . . . A 20 THR CB . 34920 1 225 . 1 . 1 20 20 THR CG2 C 13 21.65711178 . . . . . . . A 20 THR CG2 . 34920 1 226 . 1 . 1 20 20 THR N N 15 118.8267775 0.0728350495 . . . . . . A 20 THR N . 34920 1 227 . 1 . 1 21 21 ARG H H 1 8.619622842 0.0030513464 . . . . . . A 21 ARG H . 34920 1 228 . 1 . 1 21 21 ARG HA H 1 4.293480082 0.0029193919 . . . . . . A 21 ARG HA . 34920 1 229 . 1 . 1 21 21 ARG HB2 H 1 1.712455585 0.0039036463 . . . . . . A 21 ARG HB2 . 34920 1 230 . 1 . 1 21 21 ARG HB3 H 1 1.847752685 0.005305226 . . . . . . A 21 ARG HB3 . 34920 1 231 . 1 . 1 21 21 ARG HG2 H 1 1.600925173 0.0107967259 . . . . . . A 21 ARG HG2 . 34920 1 232 . 1 . 1 21 21 ARG HG3 H 1 1.600925173 0.0107967259 . . . . . . A 21 ARG HG3 . 34920 1 233 . 1 . 1 21 21 ARG HD2 H 1 3.168588827 0.0019716086 . . . . . . A 21 ARG HD2 . 34920 1 234 . 1 . 1 21 21 ARG HD3 H 1 3.168588827 0.0019716086 . . . . . . A 21 ARG HD3 . 34920 1 235 . 1 . 1 21 21 ARG C C 13 175.5009229 0.0004651468 . . . . . . A 21 ARG C . 34920 1 236 . 1 . 1 21 21 ARG CA C 13 55.99271889 0.0605395289 . . . . . . A 21 ARG CA . 34920 1 237 . 1 . 1 21 21 ARG CB C 13 31.38406179 0.1220694868 . . . . . . A 21 ARG CB . 34920 1 238 . 1 . 1 21 21 ARG CG C 13 26.96281152 0.227261244 . . . . . . A 21 ARG CG . 34920 1 239 . 1 . 1 21 21 ARG CD C 13 42.94414028 0.0719652674 . . . . . . A 21 ARG CD . 34920 1 240 . 1 . 1 21 21 ARG N N 15 126.2529818 0.043703835 . . . . . . A 21 ARG N . 34920 1 241 . 1 . 1 22 22 ASP H H 1 8.226245941 0.001936182 . . . . . . A 22 ASP H . 34920 1 242 . 1 . 1 22 22 ASP HA H 1 4.465263673 0.0030999356 . . . . . . A 22 ASP HA . 34920 1 243 . 1 . 1 22 22 ASP HB2 H 1 2.56562505 0.0091368428 . . . . . . A 22 ASP HB2 . 34920 1 244 . 1 . 1 22 22 ASP HB3 H 1 2.606309464 0.0091849067 . . . . . . A 22 ASP HB3 . 34920 1 245 . 1 . 1 22 22 ASP C C 13 174.6893293 0.0027471039 . . . . . . A 22 ASP C . 34920 1 246 . 1 . 1 22 22 ASP CA C 13 53.86487702 0.1181335918 . . . . . . A 22 ASP CA . 34920 1 247 . 1 . 1 22 22 ASP CB C 13 40.13183667 0.0783835459 . . . . . . A 22 ASP CB . 34920 1 248 . 1 . 1 22 22 ASP N N 15 118.2018769 0.0339995311 . . . . . . A 22 ASP N . 34920 1 249 . 1 . 1 23 23 ILE H H 1 7.680020577 0.0017504637 . . . . . . A 23 ILE H . 34920 1 250 . 1 . 1 23 23 ILE HA H 1 3.502352269 0.0063648717 . . . . . . A 23 ILE HA . 34920 1 251 . 1 . 1 23 23 ILE HB H 1 1.424651941 0.004205974 . . . . . . A 23 ILE HB . 34920 1 252 . 1 . 1 23 23 ILE HG12 H 1 0.6706667791 0.00559793 . . . . . . A 23 ILE HG12 . 34920 1 253 . 1 . 1 23 23 ILE HG13 H 1 1.300359087 0.005752198 . . . . . . A 23 ILE HG13 . 34920 1 254 . 1 . 1 23 23 ILE HG21 H 1 0.5566857296 0.0055383883 . . . . . . A 23 ILE HG21 . 34920 1 255 . 1 . 1 23 23 ILE HG22 H 1 0.5566857296 0.0055383883 . . . . . . A 23 ILE HG22 . 34920 1 256 . 1 . 1 23 23 ILE HG23 H 1 0.5566857296 0.0055383883 . . . . . . A 23 ILE HG23 . 34920 1 257 . 1 . 1 23 23 ILE HD11 H 1 0.7701466724 0.0031893966 . . . . . . A 23 ILE HD11 . 34920 1 258 . 1 . 1 23 23 ILE HD12 H 1 0.7701466724 0.0031893966 . . . . . . A 23 ILE HD12 . 34920 1 259 . 1 . 1 23 23 ILE HD13 H 1 0.7701466724 0.0031893966 . . . . . . A 23 ILE HD13 . 34920 1 260 . 1 . 1 23 23 ILE C C 13 174.082686 . . . . . . . A 23 ILE C . 34920 1 261 . 1 . 1 23 23 ILE CA C 13 58.7245054 0.0424467505 . . . . . . A 23 ILE CA . 34920 1 262 . 1 . 1 23 23 ILE CB C 13 38.61420785 0.0940059188 . . . . . . A 23 ILE CB . 34920 1 263 . 1 . 1 23 23 ILE CG1 C 13 27.89024751 0.0984543994 . . . . . . A 23 ILE CG1 . 34920 1 264 . 1 . 1 23 23 ILE CG2 C 13 17.10748983 . . . . . . . A 23 ILE CG2 . 34920 1 265 . 1 . 1 23 23 ILE CD1 C 13 13.7566208 . . . . . . . A 23 ILE CD1 . 34920 1 266 . 1 . 1 23 23 ILE N N 15 121.4035444 0.0258963687 . . . . . . A 23 ILE N . 34920 1 267 . 1 . 1 24 24 PRO HA H 1 4.05442602 0.0022945599 . . . . . . A 24 PRO HA . 34920 1 268 . 1 . 1 24 24 PRO HB2 H 1 1.25156948 0.0040308817 . . . . . . A 24 PRO HB2 . 34920 1 269 . 1 . 1 24 24 PRO HB3 H 1 1.958618925 0.0026833873 . . . . . . A 24 PRO HB3 . 34920 1 270 . 1 . 1 24 24 PRO HG2 H 1 1.822097314 . . . . . . . A 24 PRO HG2 . 34920 1 271 . 1 . 1 24 24 PRO HG3 H 1 1.982922066 . . . . . . . A 24 PRO HG3 . 34920 1 272 . 1 . 1 24 24 PRO HD2 H 1 1.453096705 0.0034988251 . . . . . . A 24 PRO HD2 . 34920 1 273 . 1 . 1 24 24 PRO HD3 H 1 2.425096352 0.0045169756 . . . . . . A 24 PRO HD3 . 34920 1 274 . 1 . 1 24 24 PRO C C 13 175.2314694 0.0007871829 . . . . . . A 24 PRO C . 34920 1 275 . 1 . 1 24 24 PRO CA C 13 62.5145328 0.0728512531 . . . . . . A 24 PRO CA . 34920 1 276 . 1 . 1 24 24 PRO CB C 13 32.10021566 0.1224209986 . . . . . . A 24 PRO CB . 34920 1 277 . 1 . 1 24 24 PRO CG C 13 26.24319818 0.1996528325 . . . . . . A 24 PRO CG . 34920 1 278 . 1 . 1 24 24 PRO CD C 13 49.64421378 0.086574021 . . . . . . A 24 PRO CD . 34920 1 279 . 1 . 1 25 25 ALA H H 1 7.859767999 0.0016158371 . . . . . . A 25 ALA H . 34920 1 280 . 1 . 1 25 25 ALA HA H 1 3.996576427 0.0021064896 . . . . . . A 25 ALA HA . 34920 1 281 . 1 . 1 25 25 ALA HB1 H 1 1.229004021 0.0039721263 . . . . . . A 25 ALA HB1 . 34920 1 282 . 1 . 1 25 25 ALA HB2 H 1 1.229004021 0.0039721263 . . . . . . A 25 ALA HB2 . 34920 1 283 . 1 . 1 25 25 ALA HB3 H 1 1.229004021 0.0039721263 . . . . . . A 25 ALA HB3 . 34920 1 284 . 1 . 1 25 25 ALA C C 13 178.4936482 0.0055193677 . . . . . . A 25 ALA C . 34920 1 285 . 1 . 1 25 25 ALA CA C 13 52.71606158 0.087558166 . . . . . . A 25 ALA CA . 34920 1 286 . 1 . 1 25 25 ALA CB C 13 18.25246589 0.0466745665 . . . . . . A 25 ALA CB . 34920 1 287 . 1 . 1 25 25 ALA N N 15 121.4236431 0.0119887709 . . . . . . A 25 ALA N . 34920 1 288 . 1 . 1 26 26 ASN H H 1 8.63183065 0.0048884023 . . . . . . A 26 ASN H . 34920 1 289 . 1 . 1 26 26 ASN HA H 1 3.714626382 0.0066377655 . . . . . . A 26 ASN HA . 34920 1 290 . 1 . 1 26 26 ASN HB2 H 1 1.000132438 0.0034269097 . . . . . . A 26 ASN HB2 . 34920 1 291 . 1 . 1 26 26 ASN HB3 H 1 2.230961331 0.0057015518 . . . . . . A 26 ASN HB3 . 34920 1 292 . 1 . 1 26 26 ASN HD21 H 1 6.776647603 0.0018756531 . . . . . . A 26 ASN HD21 . 34920 1 293 . 1 . 1 26 26 ASN HD22 H 1 6.973992556 0.0014270246 . . . . . . A 26 ASN HD22 . 34920 1 294 . 1 . 1 26 26 ASN C C 13 181.0463298 . . . . . . . A 26 ASN C . 34920 1 295 . 1 . 1 26 26 ASN CA C 13 54.41990786 0.1367615999 . . . . . . A 26 ASN CA . 34920 1 296 . 1 . 1 26 26 ASN CB C 13 36.08158252 0.0123773235 . . . . . . A 26 ASN CB . 34920 1 297 . 1 . 1 26 26 ASN CG C 13 178.2575298 0.015700019 . . . . . . A 26 ASN CG . 34920 1 298 . 1 . 1 26 26 ASN N N 15 112.6943996 0.0320144606 . . . . . . A 26 ASN N . 34920 1 299 . 1 . 1 26 26 ASN ND2 N 15 115.3580878 0.0250051677 . . . . . . A 26 ASN ND2 . 34920 1 300 . 1 . 1 27 27 ALA H H 1 7.062081712 0.0023855602 . . . . . . A 27 ALA H . 34920 1 301 . 1 . 1 27 27 ALA HA H 1 5.058495673 0.0045801808 . . . . . . A 27 ALA HA . 34920 1 302 . 1 . 1 27 27 ALA HB1 H 1 1.170184759 0.0040656379 . . . . . . A 27 ALA HB1 . 34920 1 303 . 1 . 1 27 27 ALA HB2 H 1 1.170184759 0.0040656379 . . . . . . A 27 ALA HB2 . 34920 1 304 . 1 . 1 27 27 ALA HB3 H 1 1.170184759 0.0040656379 . . . . . . A 27 ALA HB3 . 34920 1 305 . 1 . 1 27 27 ALA C C 13 176.3284796 0.0014840876 . . . . . . A 27 ALA C . 34920 1 306 . 1 . 1 27 27 ALA CA C 13 50.77354375 0.09626392 . . . . . . A 27 ALA CA . 34920 1 307 . 1 . 1 27 27 ALA CB C 13 24.55943259 0.0907191177 . . . . . . A 27 ALA CB . 34920 1 308 . 1 . 1 27 27 ALA N N 15 115.4614412 0.0319861536 . . . . . . A 27 ALA N . 34920 1 309 . 1 . 1 28 28 GLY H H 1 8.744296039 0.0029933741 . . . . . . A 28 GLY H . 34920 1 310 . 1 . 1 28 28 GLY HA2 H 1 2.261445529 0.0096180844 . . . . . . A 28 GLY HA2 . 34920 1 311 . 1 . 1 28 28 GLY HA3 H 1 4.26014791 0.0063945226 . . . . . . A 28 GLY HA3 . 34920 1 312 . 1 . 1 28 28 GLY C C 13 171.206 . . . . . . . A 28 GLY C . 34920 1 313 . 1 . 1 28 28 GLY CA C 13 43.45394679 0.0839362859 . . . . . . A 28 GLY CA . 34920 1 314 . 1 . 1 28 28 GLY N N 15 105.0353343 0.0074332219 . . . . . . A 28 GLY N . 34920 1 315 . 1 . 1 29 29 CYS H H 1 8.575485847 0.0052763479 . . . . . . A 29 CYS H . 34920 1 316 . 1 . 1 29 29 CYS HA H 1 5.467563233 0.0034100288 . . . . . . A 29 CYS HA . 34920 1 317 . 1 . 1 29 29 CYS HB2 H 1 2.567603108 0.0048582387 . . . . . . A 29 CYS HB2 . 34920 1 318 . 1 . 1 29 29 CYS HB3 H 1 3.283225027 0.0049236933 . . . . . . A 29 CYS HB3 . 34920 1 319 . 1 . 1 29 29 CYS C C 13 171.900466 0.0027885052 . . . . . . A 29 CYS C . 34920 1 320 . 1 . 1 29 29 CYS CA C 13 55.74791494 0.0409066267 . . . . . . A 29 CYS CA . 34920 1 321 . 1 . 1 29 29 CYS CB C 13 41.31747551 0.0925417246 . . . . . . A 29 CYS CB . 34920 1 322 . 1 . 1 29 29 CYS N N 15 121.8260975 0.0635412122 . . . . . . A 29 CYS N . 34920 1 323 . 1 . 1 30 30 PHE H H 1 9.145876748 0.0034733915 . . . . . . A 30 PHE H . 34920 1 324 . 1 . 1 30 30 PHE HA H 1 4.360973205 0.004865924 . . . . . . A 30 PHE HA . 34920 1 325 . 1 . 1 30 30 PHE HB2 H 1 0.8217925763 0.0130850155 . . . . . . A 30 PHE HB2 . 34920 1 326 . 1 . 1 30 30 PHE HB3 H 1 1.478228771 0.0089751233 . . . . . . A 30 PHE HB3 . 34920 1 327 . 1 . 1 30 30 PHE CA C 13 57.47726479 0.0517688988 . . . . . . A 30 PHE CA . 34920 1 328 . 1 . 1 30 30 PHE CB C 13 42.26404338 0.0280248924 . . . . . . A 30 PHE CB . 34920 1 329 . 1 . 1 30 30 PHE N N 15 134.995964 0.0575233223 . . . . . . A 30 PHE N . 34920 1 330 . 1 . 1 31 31 ARG H H 1 7.200447739 0.0046959968 . . . . . . A 31 ARG H . 34920 1 331 . 1 . 1 31 31 ARG HA H 1 4.871756905 0.0067153437 . . . . . . A 31 ARG HA . 34920 1 332 . 1 . 1 31 31 ARG HB2 H 1 0.8573378649 0.0079837079 . . . . . . A 31 ARG HB2 . 34920 1 333 . 1 . 1 31 31 ARG HB3 H 1 1.024845227 0.0098270275 . . . . . . A 31 ARG HB3 . 34920 1 334 . 1 . 1 31 31 ARG HD2 H 1 3.013357951 0.0089051156 . . . . . . A 31 ARG HD2 . 34920 1 335 . 1 . 1 31 31 ARG HD3 H 1 3.311337568 0.0015649889 . . . . . . A 31 ARG HD3 . 34920 1 336 . 1 . 1 31 31 ARG HE H 1 7.213992243 0.0041874229 . . . . . . A 31 ARG HE . 34920 1 337 . 1 . 1 31 31 ARG HH11 H 1 6.511626237 . . . . . . . A 31 ARG HH11 . 34920 1 338 . 1 . 1 31 31 ARG HH12 H 1 6.511626237 . . . . . . . A 31 ARG HH12 . 34920 1 339 . 1 . 1 31 31 ARG C C 13 174.7241712 0.0029627584 . . . . . . A 31 ARG C . 34920 1 340 . 1 . 1 31 31 ARG CA C 13 53.499424 0.0725796858 . . . . . . A 31 ARG CA . 34920 1 341 . 1 . 1 31 31 ARG CB C 13 32.31835679 0.048451631 . . . . . . A 31 ARG CB . 34920 1 342 . 1 . 1 31 31 ARG CG C 13 27.56234021 0.1800876516 . . . . . . A 31 ARG CG . 34920 1 343 . 1 . 1 31 31 ARG CD C 13 43.70894643 . . . . . . . A 31 ARG CD . 34920 1 344 . 1 . 1 31 31 ARG N N 15 127.451736 0.0090300345 . . . . . . A 31 ARG N . 34920 1 345 . 1 . 1 31 31 ARG NE N 15 85.9640000 . . . . . . . A 31 ARG NE . 34920 1 346 . 1 . 1 32 32 TYR H H 1 9.059103937 0.0033287573 . . . . . . A 32 TYR H . 34920 1 347 . 1 . 1 32 32 TYR HA H 1 4.353312926 0.0026712125 . . . . . . A 32 TYR HA . 34920 1 348 . 1 . 1 32 32 TYR HB2 H 1 3.114576156 0.0081536432 . . . . . . A 32 TYR HB2 . 34920 1 349 . 1 . 1 32 32 TYR HB3 H 1 3.399974892 0.0079065305 . . . . . . A 32 TYR HB3 . 34920 1 350 . 1 . 1 32 32 TYR HD1 H 1 7.394854522 0.0025726835 . . . . . . A 32 TYR HD1 . 34920 1 351 . 1 . 1 32 32 TYR HD2 H 1 7.394854522 0.0025726835 . . . . . . A 32 TYR HD2 . 34920 1 352 . 1 . 1 32 32 TYR HE1 H 1 7.076592604 0.0070327712 . . . . . . A 32 TYR HE1 . 34920 1 353 . 1 . 1 32 32 TYR HE2 H 1 7.076592604 0.0070327712 . . . . . . A 32 TYR HE2 . 34920 1 354 . 1 . 1 32 32 TYR C C 13 177.9039331 0.0057525053 . . . . . . A 32 TYR C . 34920 1 355 . 1 . 1 32 32 TYR CA C 13 58.57052119 0.1165702936 . . . . . . A 32 TYR CA . 34920 1 356 . 1 . 1 32 32 TYR CB C 13 39.73422497 0.0640710958 . . . . . . A 32 TYR CB . 34920 1 357 . 1 . 1 32 32 TYR CD1 C 13 133.8103109 0.0504558783 . . . . . . A 32 TYR CD1 . 34920 1 358 . 1 . 1 32 32 TYR CD2 C 13 133.8103109 0.0504558783 . . . . . . A 32 TYR CD2 . 34920 1 359 . 1 . 1 32 32 TYR CE1 C 13 118.3036813 0.0451116826 . . . . . . A 32 TYR CE1 . 34920 1 360 . 1 . 1 32 32 TYR CE2 C 13 118.3036813 0.0451116826 . . . . . . A 32 TYR CE2 . 34920 1 361 . 1 . 1 32 32 TYR N N 15 126.5081487 0.0534188939 . . . . . . A 32 TYR N . 34920 1 362 . 1 . 1 33 33 ASP H H 1 9.372346893 0.0023011616 . . . . . . A 33 ASP H . 34920 1 363 . 1 . 1 33 33 ASP HA H 1 4.330553121 0.0034741022 . . . . . . A 33 ASP HA . 34920 1 364 . 1 . 1 33 33 ASP HB2 H 1 2.742949134 0.0026437961 . . . . . . A 33 ASP HB2 . 34920 1 365 . 1 . 1 33 33 ASP HB3 H 1 2.742949134 0.0026437961 . . . . . . A 33 ASP HB3 . 34920 1 366 . 1 . 1 33 33 ASP C C 13 177.0222076 0.0008033176 . . . . . . A 33 ASP C . 34920 1 367 . 1 . 1 33 33 ASP CA C 13 57.5120893 0.0751455832 . . . . . . A 33 ASP CA . 34920 1 368 . 1 . 1 33 33 ASP CB C 13 40.26728265 0.036196117 . . . . . . A 33 ASP CB . 34920 1 369 . 1 . 1 33 33 ASP N N 15 122.3553809 0.0739787986 . . . . . . A 33 ASP N . 34920 1 370 . 1 . 1 34 34 ASN H H 1 7.792675244 0.0029661628 . . . . . . A 34 ASN H . 34920 1 371 . 1 . 1 34 34 ASN HA H 1 4.53631069 0.0029946423 . . . . . . A 34 ASN HA . 34920 1 372 . 1 . 1 34 34 ASN HB2 H 1 2.820969491 0.0064956338 . . . . . . A 34 ASN HB2 . 34920 1 373 . 1 . 1 34 34 ASN HB3 H 1 3.234601809 0.0068140637 . . . . . . A 34 ASN HB3 . 34920 1 374 . 1 . 1 34 34 ASN HD21 H 1 6.414115515 0.0037244024 . . . . . . A 34 ASN HD21 . 34920 1 375 . 1 . 1 34 34 ASN HD22 H 1 7.398603965 0.0020432152 . . . . . . A 34 ASN HD22 . 34920 1 376 . 1 . 1 34 34 ASN C C 13 176.517461 0.002181986 . . . . . . A 34 ASN C . 34920 1 377 . 1 . 1 34 34 ASN CA C 13 52.79624526 0.0812139407 . . . . . . A 34 ASN CA . 34920 1 378 . 1 . 1 34 34 ASN CB C 13 37.20608354 0.0544797895 . . . . . . A 34 ASN CB . 34920 1 379 . 1 . 1 34 34 ASN CG C 13 176.2046164 0.0011395542 . . . . . . A 34 ASN CG . 34920 1 380 . 1 . 1 34 34 ASN N N 15 113.7882594 0.0091512179 . . . . . . A 34 ASN N . 34920 1 381 . 1 . 1 34 34 ASN ND2 N 15 108.4871704 0.1262256932 . . . . . . A 34 ASN ND2 . 34920 1 382 . 1 . 1 35 35 GLY H H 1 8.299822974 0.0034903749 . . . . . . A 35 GLY H . 34920 1 383 . 1 . 1 35 35 GLY HA2 H 1 3.432492577 0.0068068898 . . . . . . A 35 GLY HA2 . 34920 1 384 . 1 . 1 35 35 GLY HA3 H 1 4.387202147 0.0088936228 . . . . . . A 35 GLY HA3 . 34920 1 385 . 1 . 1 35 35 GLY C C 13 173.9697919 0.0015588372 . . . . . . A 35 GLY C . 34920 1 386 . 1 . 1 35 35 GLY CA C 13 44.86231747 0.0679971573 . . . . . . A 35 GLY CA . 34920 1 387 . 1 . 1 35 35 GLY N N 15 108.9083429 0.0345107526 . . . . . . A 35 GLY N . 34920 1 388 . 1 . 1 36 36 ASN H H 1 8.131512636 0.0019172024 . . . . . . A 36 ASN H . 34920 1 389 . 1 . 1 36 36 ASN HA H 1 4.656897915 0.0028753205 . . . . . . A 36 ASN HA . 34920 1 390 . 1 . 1 36 36 ASN HB2 H 1 2.867519937 0.0056860079 . . . . . . A 36 ASN HB2 . 34920 1 391 . 1 . 1 36 36 ASN HB3 H 1 2.911549734 0.0066594711 . . . . . . A 36 ASN HB3 . 34920 1 392 . 1 . 1 36 36 ASN HD21 H 1 7.003866815 0.0013191179 . . . . . . A 36 ASN HD21 . 34920 1 393 . 1 . 1 36 36 ASN HD22 H 1 7.628284513 0.0013585282 . . . . . . A 36 ASN HD22 . 34920 1 394 . 1 . 1 36 36 ASN C C 13 174.0626728 0.0036347019 . . . . . . A 36 ASN C . 34920 1 395 . 1 . 1 36 36 ASN CA C 13 53.60889047 0.0917965725 . . . . . . A 36 ASN CA . 34920 1 396 . 1 . 1 36 36 ASN CB C 13 38.42352206 0.116022385 . . . . . . A 36 ASN CB . 34920 1 397 . 1 . 1 36 36 ASN CG C 13 176.8635077 . . . . . . . A 36 ASN CG . 34920 1 398 . 1 . 1 36 36 ASN N N 15 120.1035441 0.0498546686 . . . . . . A 36 ASN N . 34920 1 399 . 1 . 1 36 36 ASN ND2 N 15 112.8537819 0.0964305311 . . . . . . A 36 ASN ND2 . 34920 1 400 . 1 . 1 37 37 GLU H H 1 8.450419812 0.0056986787 . . . . . . A 37 GLU H . 34920 1 401 . 1 . 1 37 37 GLU HA H 1 5.547439347 0.0053827928 . . . . . . A 37 GLU HA . 34920 1 402 . 1 . 1 37 37 GLU HB2 H 1 1.782713652 0.0028728509 . . . . . . A 37 GLU HB2 . 34920 1 403 . 1 . 1 37 37 GLU HB3 H 1 1.979416108 0.0026847118 . . . . . . A 37 GLU HB3 . 34920 1 404 . 1 . 1 37 37 GLU HG2 H 1 2.131800323 0.0074705535 . . . . . . A 37 GLU HG2 . 34920 1 405 . 1 . 1 37 37 GLU HG3 H 1 2.611057151 0.0036184514 . . . . . . A 37 GLU HG3 . 34920 1 406 . 1 . 1 37 37 GLU C C 13 176.1593321 0.0029177522 . . . . . . A 37 GLU C . 34920 1 407 . 1 . 1 37 37 GLU CA C 13 54.98744192 0.1145525249 . . . . . . A 37 GLU CA . 34920 1 408 . 1 . 1 37 37 GLU CG C 13 36.9698278 0.0438668653 . . . . . . A 37 GLU CG . 34920 1 409 . 1 . 1 37 37 GLU N N 15 120.1607717 0.1741958485 . . . . . . A 37 GLU N . 34920 1 410 . 1 . 1 38 38 GLU H H 1 8.755127686 0.003237114 . . . . . . A 38 GLU H . 34920 1 411 . 1 . 1 38 38 GLU HA H 1 4.854655784 0.0081433214 . . . . . . A 38 GLU HA . 34920 1 412 . 1 . 1 38 38 GLU HB2 H 1 2.292520091 0.005305637 . . . . . . A 38 GLU HB2 . 34920 1 413 . 1 . 1 38 38 GLU HB3 H 1 2.292520091 0.005305637 . . . . . . A 38 GLU HB3 . 34920 1 414 . 1 . 1 38 38 GLU HG2 H 1 2.485383358 0.0043978453 . . . . . . A 38 GLU HG2 . 34920 1 415 . 1 . 1 38 38 GLU HG3 H 1 2.485383358 0.0043978453 . . . . . . A 38 GLU HG3 . 34920 1 416 . 1 . 1 38 38 GLU C C 13 173.6701364 0.0002967506 . . . . . . A 38 GLU C . 34920 1 417 . 1 . 1 38 38 GLU CA C 13 54.8854544 0.0240599663 . . . . . . A 38 GLU CA . 34920 1 418 . 1 . 1 38 38 GLU CB C 13 35.7178304 0.1095857119 . . . . . . A 38 GLU CB . 34920 1 419 . 1 . 1 38 38 GLU CG C 13 36.17789259 0.1817224971 . . . . . . A 38 GLU CG . 34920 1 420 . 1 . 1 38 38 GLU N N 15 123.1052696 0.025823568 . . . . . . A 38 GLU N . 34920 1 421 . 1 . 1 39 39 TRP H H 1 8.430984792 0.0044670466 . . . . . . A 39 TRP H . 34920 1 422 . 1 . 1 39 39 TRP HA H 1 6.328612826 0.0045756514 . . . . . . A 39 TRP HA . 34920 1 423 . 1 . 1 39 39 TRP HB2 H 1 2.614369087 0.0069759567 . . . . . . A 39 TRP HB2 . 34920 1 424 . 1 . 1 39 39 TRP HB3 H 1 3.276145504 0.0058691524 . . . . . . A 39 TRP HB3 . 34920 1 425 . 1 . 1 39 39 TRP HD1 H 1 7.111925656 0.0039372449 . . . . . . A 39 TRP HD1 . 34920 1 426 . 1 . 1 39 39 TRP HE1 H 1 10.18222903 . . . . . . . A 39 TRP HE1 . 34920 1 427 . 1 . 1 39 39 TRP HE3 H 1 7.007662169 0.1025087883 . . . . . . A 39 TRP HE3 . 34920 1 428 . 1 . 1 39 39 TRP HZ2 H 1 7.479769414 0.0026642625 . . . . . . A 39 TRP HZ2 . 34920 1 429 . 1 . 1 39 39 TRP HZ3 H 1 6.881414759 0.0034373379 . . . . . . A 39 TRP HZ3 . 34920 1 430 . 1 . 1 39 39 TRP HH2 H 1 6.874295682 0.0079986339 . . . . . . A 39 TRP HH2 . 34920 1 431 . 1 . 1 39 39 TRP C C 13 175.1038434 0.0032648293 . . . . . . A 39 TRP C . 34920 1 432 . 1 . 1 39 39 TRP CA C 13 53.65445774 0.0996319661 . . . . . . A 39 TRP CA . 34920 1 433 . 1 . 1 39 39 TRP CB C 13 33.82584125 0.227433738 . . . . . . A 39 TRP CB . 34920 1 434 . 1 . 1 39 39 TRP CD1 C 13 128.1619159 0.1894377214 . . . . . . A 39 TRP CD1 . 34920 1 435 . 1 . 1 39 39 TRP CE3 C 13 120.5439995 0.0739903293 . . . . . . A 39 TRP CE3 . 34920 1 436 . 1 . 1 39 39 TRP CZ2 C 13 115.1011004 0.0444534614 . . . . . . A 39 TRP CZ2 . 34920 1 437 . 1 . 1 39 39 TRP CZ3 C 13 121.7108101 0.0067501591 . . . . . . A 39 TRP CZ3 . 34920 1 438 . 1 . 1 39 39 TRP CH2 C 13 123.820239 0.101481537 . . . . . . A 39 TRP CH2 . 34920 1 439 . 1 . 1 39 39 TRP N N 15 119.9165836 0.0323162508 . . . . . . A 39 TRP N . 34920 1 440 . 1 . 1 39 39 TRP NE1 N 15 130.0319711 . . . . . . . A 39 TRP NE1 . 34920 1 441 . 1 . 1 40 40 ARG H H 1 8.940700884 0.0034333845 . . . . . . A 40 ARG H . 34920 1 442 . 1 . 1 40 40 ARG HA H 1 4.544903012 0.0006778374 . . . . . . A 40 ARG HA . 34920 1 443 . 1 . 1 40 40 ARG HB2 H 1 0.9981361643 0.0092940425 . . . . . . A 40 ARG HB2 . 34920 1 444 . 1 . 1 40 40 ARG HB3 H 1 1.808627016 0.003582552 . . . . . . A 40 ARG HB3 . 34920 1 445 . 1 . 1 40 40 ARG HG2 H 1 1.047221437 0.0043746132 . . . . . . A 40 ARG HG2 . 34920 1 446 . 1 . 1 40 40 ARG HG3 H 1 1.047221437 0.0043746132 . . . . . . A 40 ARG HG3 . 34920 1 447 . 1 . 1 40 40 ARG HD2 H 1 2.750830995 0.0042634811 . . . . . . A 40 ARG HD2 . 34920 1 448 . 1 . 1 40 40 ARG HD3 H 1 2.750830995 0.0042634811 . . . . . . A 40 ARG HD3 . 34920 1 449 . 1 . 1 40 40 ARG HH11 H 1 6.699186339 0.0022472906 . . . . . . A 40 ARG HH11 . 34920 1 450 . 1 . 1 40 40 ARG HH12 H 1 6.699186339 0.0022472906 . . . . . . A 40 ARG HH12 . 34920 1 451 . 1 . 1 40 40 ARG HH21 H 1 6.885806526 0.0020010033 . . . . . . A 40 ARG HH21 . 34920 1 452 . 1 . 1 40 40 ARG HH22 H 1 6.885806526 0.0020010033 . . . . . . A 40 ARG HH22 . 34920 1 453 . 1 . 1 40 40 ARG C C 13 175.3072471 0.0014196697 . . . . . . A 40 ARG C . 34920 1 454 . 1 . 1 40 40 ARG CA C 13 54.87952374 0.0216111576 . . . . . . A 40 ARG CA . 34920 1 455 . 1 . 1 40 40 ARG CB C 13 36.07420689 0.130524684 . . . . . . A 40 ARG CB . 34920 1 456 . 1 . 1 40 40 ARG CG C 13 28.1361976 0.2005608432 . . . . . . A 40 ARG CG . 34920 1 457 . 1 . 1 40 40 ARG CD C 13 42.70016696 0.0671257257 . . . . . . A 40 ARG CD . 34920 1 458 . 1 . 1 40 40 ARG N N 15 119.2554372 0.0120529103 . . . . . . A 40 ARG N . 34920 1 459 . 1 . 1 40 40 ARG NH1 N 15 86.38800000 . . . . . . . A 40 ARG NH1 . 34920 1 460 . 1 . 1 40 40 ARG NH2 N 15 70.09400000 . . . . . . . A 40 ARG NH2 . 34920 1 461 . 1 . 1 41 41 CYS H H 1 9.113611441 0.0024685146 . . . . . . A 41 CYS H . 34920 1 462 . 1 . 1 41 41 CYS HA H 1 4.997236036 0.0092397516 . . . . . . A 41 CYS HA . 34920 1 463 . 1 . 1 41 41 CYS HB2 H 1 2.662737364 0.0059236851 . . . . . . A 41 CYS HB2 . 34920 1 464 . 1 . 1 41 41 CYS HB3 H 1 3.083655132 0.0095553876 . . . . . . A 41 CYS HB3 . 34920 1 465 . 1 . 1 41 41 CYS C C 13 173.5551952 0.000816363 . . . . . . A 41 CYS C . 34920 1 466 . 1 . 1 41 41 CYS CA C 13 54.18630287 0.1440204564 . . . . . . A 41 CYS CA . 34920 1 467 . 1 . 1 41 41 CYS CB C 13 36.69638497 0.0473930684 . . . . . . A 41 CYS CB . 34920 1 468 . 1 . 1 41 41 CYS N N 15 119.2525769 0.0231652358 . . . . . . A 41 CYS N . 34920 1 469 . 1 . 1 42 42 LEU H H 1 8.27772005 0.0036026197 . . . . . . A 42 LEU H . 34920 1 470 . 1 . 1 42 42 LEU HA H 1 4.36289961 0.0052898239 . . . . . . A 42 LEU HA . 34920 1 471 . 1 . 1 42 42 LEU HB2 H 1 1.45935221 0.0054059299 . . . . . . A 42 LEU HB2 . 34920 1 472 . 1 . 1 42 42 LEU HB3 H 1 1.829865286 0.0028413144 . . . . . . A 42 LEU HB3 . 34920 1 473 . 1 . 1 42 42 LEU HG H 1 1.160157438 0.0056574354 . . . . . . A 42 LEU HG . 34920 1 474 . 1 . 1 42 42 LEU HD11 H 1 0.7290148242 0.0054241762 . . . . . . A 42 LEU HD11 . 34920 1 475 . 1 . 1 42 42 LEU HD12 H 1 0.7290148242 0.0054241762 . . . . . . A 42 LEU HD12 . 34920 1 476 . 1 . 1 42 42 LEU HD13 H 1 0.7290148242 0.0054241762 . . . . . . A 42 LEU HD13 . 34920 1 477 . 1 . 1 42 42 LEU HD21 H 1 0.7290148242 0.0054241762 . . . . . . A 42 LEU HD21 . 34920 1 478 . 1 . 1 42 42 LEU HD22 H 1 0.7290148242 0.0054241762 . . . . . . A 42 LEU HD22 . 34920 1 479 . 1 . 1 42 42 LEU HD23 H 1 0.7290148242 0.0054241762 . . . . . . A 42 LEU HD23 . 34920 1 480 . 1 . 1 42 42 LEU C C 13 175.5946334 0.0060291689 . . . . . . A 42 LEU C . 34920 1 481 . 1 . 1 42 42 LEU CA C 13 54.49483491 0.1235138803 . . . . . . A 42 LEU CA . 34920 1 482 . 1 . 1 42 42 LEU CB C 13 41.2766977 0.118943193 . . . . . . A 42 LEU CB . 34920 1 483 . 1 . 1 42 42 LEU CG C 13 27.42207612 0.264388092 . . . . . . A 42 LEU CG . 34920 1 484 . 1 . 1 42 42 LEU CD1 C 13 25.75451847 0.1129709005 . . . . . . A 42 LEU CD1 . 34920 1 485 . 1 . 1 42 42 LEU CD2 C 13 21.93248602 0.1961829549 . . . . . . A 42 LEU CD2 . 34920 1 486 . 1 . 1 42 42 LEU N N 15 120.1794947 0.0842998046 . . . . . . A 42 LEU N . 34920 1 487 . 1 . 1 43 43 LEU H H 1 8.442652843 0.0031030549 . . . . . . A 43 LEU H . 34920 1 488 . 1 . 1 43 43 LEU HA H 1 4.34390766 0.0034939239 . . . . . . A 43 LEU HA . 34920 1 489 . 1 . 1 43 43 LEU HB2 H 1 1.381987934 0.0099143846 . . . . . . A 43 LEU HB2 . 34920 1 490 . 1 . 1 43 43 LEU HB3 H 1 1.83978474 0.0114200872 . . . . . . A 43 LEU HB3 . 34920 1 491 . 1 . 1 43 43 LEU HG H 1 1.025352806 0.004566106 . . . . . . A 43 LEU HG . 34920 1 492 . 1 . 1 43 43 LEU HD11 H 1 0.7451031186 0.0023271827 . . . . . . A 43 LEU HD11 . 34920 1 493 . 1 . 1 43 43 LEU HD12 H 1 0.7451031186 0.0023271827 . . . . . . A 43 LEU HD12 . 34920 1 494 . 1 . 1 43 43 LEU HD13 H 1 0.7451031186 0.0023271827 . . . . . . A 43 LEU HD13 . 34920 1 495 . 1 . 1 43 43 LEU HD21 H 1 0.7451031186 0.0023271827 . . . . . . A 43 LEU HD21 . 34920 1 496 . 1 . 1 43 43 LEU HD22 H 1 0.7451031186 0.0023271827 . . . . . . A 43 LEU HD22 . 34920 1 497 . 1 . 1 43 43 LEU HD23 H 1 0.7451031186 0.0023271827 . . . . . . A 43 LEU HD23 . 34920 1 498 . 1 . 1 43 43 LEU C C 13 179.6866962 0.0028093504 . . . . . . A 43 LEU C . 34920 1 499 . 1 . 1 43 43 LEU CA C 13 56.48269836 0.0504885293 . . . . . . A 43 LEU CA . 34920 1 500 . 1 . 1 43 43 LEU CB C 13 41.48414246 0.0185469052 . . . . . . A 43 LEU CB . 34920 1 501 . 1 . 1 43 43 LEU CG C 13 26.25496982 0.1457702804 . . . . . . A 43 LEU CG . 34920 1 502 . 1 . 1 43 43 LEU CD1 C 13 22.29464516 0.0614145966 . . . . . . A 43 LEU CD1 . 34920 1 503 . 1 . 1 43 43 LEU CD2 C 13 22.29464516 0.0614145966 . . . . . . A 43 LEU CD2 . 34920 1 504 . 1 . 1 43 43 LEU N N 15 116.4902276 0.0308188127 . . . . . . A 43 LEU N . 34920 1 505 . 1 . 1 44 44 GLY H H 1 9.282042474 0.003905549 . . . . . . A 44 GLY H . 34920 1 506 . 1 . 1 44 44 GLY HA2 H 1 3.249473106 0.0099453135 . . . . . . A 44 GLY HA2 . 34920 1 507 . 1 . 1 44 44 GLY HA3 H 1 4.128279186 0.0040310855 . . . . . . A 44 GLY HA3 . 34920 1 508 . 1 . 1 44 44 GLY C C 13 173.3374989 0.0111164711 . . . . . . A 44 GLY C . 34920 1 509 . 1 . 1 44 44 GLY CA C 13 44.58892366 0.0812287913 . . . . . . A 44 GLY CA . 34920 1 510 . 1 . 1 44 44 GLY N N 15 107.8338686 0.0668111265 . . . . . . A 44 GLY N . 34920 1 511 . 1 . 1 45 45 TYR H H 1 8.592680612 0.004185522 . . . . . . A 45 TYR H . 34920 1 512 . 1 . 1 45 45 TYR HA H 1 5.092599186 0.0043321107 . . . . . . A 45 TYR HA . 34920 1 513 . 1 . 1 45 45 TYR HB2 H 1 2.598820173 0.009655067 . . . . . . A 45 TYR HB2 . 34920 1 514 . 1 . 1 45 45 TYR HB3 H 1 3.360357135 0.0082510138 . . . . . . A 45 TYR HB3 . 34920 1 515 . 1 . 1 45 45 TYR HD1 H 1 6.641016587 0.0070799278 . . . . . . A 45 TYR HD1 . 34920 1 516 . 1 . 1 45 45 TYR HD2 H 1 6.641016587 0.0070799278 . . . . . . A 45 TYR HD2 . 34920 1 517 . 1 . 1 45 45 TYR HE1 H 1 6.662512939 0.0051493576 . . . . . . A 45 TYR HE1 . 34920 1 518 . 1 . 1 45 45 TYR HE2 H 1 6.662512939 0.0051493576 . . . . . . A 45 TYR HE2 . 34920 1 519 . 1 . 1 45 45 TYR C C 13 174.2926302 0.0317974522 . . . . . . A 45 TYR C . 34920 1 520 . 1 . 1 45 45 TYR CA C 13 57.01795698 0.0643827526 . . . . . . A 45 TYR CA . 34920 1 521 . 1 . 1 45 45 TYR CB C 13 41.53861927 0.0950604685 . . . . . . A 45 TYR CB . 34920 1 522 . 1 . 1 45 45 TYR CD1 C 13 133.1520296 0.1156368417 . . . . . . A 45 TYR CD1 . 34920 1 523 . 1 . 1 45 45 TYR CD2 C 13 133.1520296 0.1156368417 . . . . . . A 45 TYR CD2 . 34920 1 524 . 1 . 1 45 45 TYR CE1 C 13 117.8702209 0.0588073025 . . . . . . A 45 TYR CE1 . 34920 1 525 . 1 . 1 45 45 TYR CE2 C 13 117.8702209 0.0588073025 . . . . . . A 45 TYR CE2 . 34920 1 526 . 1 . 1 45 45 TYR N N 15 119.6926782 0.0454502488 . . . . . . A 45 TYR N . 34920 1 527 . 1 . 1 46 46 LYS H H 1 9.913576741 0.0043186964 . . . . . . A 46 LYS H . 34920 1 528 . 1 . 1 46 46 LYS HA H 1 4.839948295 0.0026670839 . . . . . . A 46 LYS HA . 34920 1 529 . 1 . 1 46 46 LYS HB2 H 1 1.69832054 0.0082368282 . . . . . . A 46 LYS HB2 . 34920 1 530 . 1 . 1 46 46 LYS HB3 H 1 1.845673246 0.0056901717 . . . . . . A 46 LYS HB3 . 34920 1 531 . 1 . 1 46 46 LYS HD2 H 1 1.677347439 . . . . . . . A 46 LYS HD2 . 34920 1 532 . 1 . 1 46 46 LYS HD3 H 1 1.677347439 . . . . . . . A 46 LYS HD3 . 34920 1 533 . 1 . 1 46 46 LYS C C 13 174.9114192 0.9454865047 . . . . . . A 46 LYS C . 34920 1 534 . 1 . 1 46 46 LYS CA C 13 54.15313977 0.0473405008 . . . . . . A 46 LYS CA . 34920 1 535 . 1 . 1 46 46 LYS CB C 13 36.00607586 0.0478371866 . . . . . . A 46 LYS CB . 34920 1 536 . 1 . 1 46 46 LYS CG C 13 25.45430116 0.1496925778 . . . . . . A 46 LYS CG . 34920 1 537 . 1 . 1 46 46 LYS CD C 13 29.73849734 0.1695009907 . . . . . . A 46 LYS CD . 34920 1 538 . 1 . 1 46 46 LYS CE C 13 42.41023521 . . . . . . . A 46 LYS CE . 34920 1 539 . 1 . 1 46 46 LYS N N 15 119.3305895 0.0404455344 . . . . . . A 46 LYS N . 34920 1 540 . 1 . 1 47 47 LYS H H 1 8.778194614 0.0026105915 . . . . . . A 47 LYS H . 34920 1 541 . 1 . 1 47 47 LYS HA H 1 4.923940652 0.0042833614 . . . . . . A 47 LYS HA . 34920 1 542 . 1 . 1 47 47 LYS HB2 H 1 1.88099131 0.0143991869 . . . . . . A 47 LYS HB2 . 34920 1 543 . 1 . 1 47 47 LYS HB3 H 1 1.88099131 0.0143991869 . . . . . . A 47 LYS HB3 . 34920 1 544 . 1 . 1 47 47 LYS C C 13 177.3777602 0.0007251086 . . . . . . A 47 LYS C . 34920 1 545 . 1 . 1 47 47 LYS CB C 13 33.65976702 0.0594159508 . . . . . . A 47 LYS CB . 34920 1 546 . 1 . 1 47 47 LYS N N 15 125.2495922 0.0150074795 . . . . . . A 47 LYS N . 34920 1 547 . 1 . 1 48 48 ASN H H 1 9.132961813 0.0038907178 . . . . . . A 48 ASN H . 34920 1 548 . 1 . 1 48 48 ASN HA H 1 4.837901732 0.0017517596 . . . . . . A 48 ASN HA . 34920 1 549 . 1 . 1 48 48 ASN HB2 H 1 2.434390327 0.0080717858 . . . . . . A 48 ASN HB2 . 34920 1 550 . 1 . 1 48 48 ASN HB3 H 1 2.641444759 0.0039649011 . . . . . . A 48 ASN HB3 . 34920 1 551 . 1 . 1 48 48 ASN HD21 H 1 7.061973702 0.002669262 . . . . . . A 48 ASN HD21 . 34920 1 552 . 1 . 1 48 48 ASN HD22 H 1 7.440987787 0.0026520366 . . . . . . A 48 ASN HD22 . 34920 1 553 . 1 . 1 48 48 ASN C C 13 174.518958 . . . . . . . A 48 ASN C . 34920 1 554 . 1 . 1 48 48 ASN CA C 13 53.41344379 0.0847636772 . . . . . . A 48 ASN CA . 34920 1 555 . 1 . 1 48 48 ASN CB C 13 41.36109232 0.1155628037 . . . . . . A 48 ASN CB . 34920 1 556 . 1 . 1 48 48 ASN N N 15 125.4721033 0.0969928907 . . . . . . A 48 ASN N . 34920 1 557 . 1 . 1 48 48 ASN ND2 N 15 113.1716047 0.0320046305 . . . . . . A 48 ASN ND2 . 34920 1 558 . 1 . 1 50 50 ASN HA H 1 5.051111493 0.0028183621 . . . . . . A 50 ASN HA . 34920 1 559 . 1 . 1 50 50 ASN HB2 H 1 3.134043162 0.0063472416 . . . . . . A 50 ASN HB2 . 34920 1 560 . 1 . 1 50 50 ASN HB3 H 1 2.910613713 0.0040303281 . . . . . . A 50 ASN HB3 . 34920 1 561 . 1 . 1 50 50 ASN C C 13 173.1687164 0.0005429482 . . . . . . A 50 ASN C . 34920 1 562 . 1 . 1 50 50 ASN CA C 13 53.82132076 . . . . . . . A 50 ASN CA . 34920 1 563 . 1 . 1 50 50 ASN CB C 13 38.37367392 0.0790944352 . . . . . . A 50 ASN CB . 34920 1 564 . 1 . 1 51 51 THR H H 1 7.811377214 0.0023954837 . . . . . . A 51 THR H . 34920 1 565 . 1 . 1 51 51 THR HA H 1 4.584433851 0.0029938178 . . . . . . A 51 THR HA . 34920 1 566 . 1 . 1 51 51 THR HB H 1 4.154170545 0.0026355343 . . . . . . A 51 THR HB . 34920 1 567 . 1 . 1 51 51 THR HG21 H 1 1.209560489 0.0057584235 . . . . . . A 51 THR HG21 . 34920 1 568 . 1 . 1 51 51 THR HG22 H 1 1.209560489 0.0057584235 . . . . . . A 51 THR HG22 . 34920 1 569 . 1 . 1 51 51 THR HG23 H 1 1.209560489 0.0057584235 . . . . . . A 51 THR HG23 . 34920 1 570 . 1 . 1 51 51 THR C C 13 172.4149918 0.0007381883 . . . . . . A 51 THR C . 34920 1 571 . 1 . 1 51 51 THR CA C 13 60.04773071 0.1172084546 . . . . . . A 51 THR CA . 34920 1 572 . 1 . 1 51 51 THR CB C 13 72.26382379 0.0968674712 . . . . . . A 51 THR CB . 34920 1 573 . 1 . 1 51 51 THR CG2 C 13 21.59391259 0.045854627 . . . . . . A 51 THR CG2 . 34920 1 574 . 1 . 1 51 51 THR N N 15 109.777291 0.0715642775 . . . . . . A 51 THR N . 34920 1 575 . 1 . 1 52 52 CYS H H 1 8.919293614 0.0049687505 . . . . . . A 52 CYS H . 34920 1 576 . 1 . 1 52 52 CYS HA H 1 5.451526467 0.0066311824 . . . . . . A 52 CYS HA . 34920 1 577 . 1 . 1 52 52 CYS HB2 H 1 2.629778142 0.0075739391 . . . . . . A 52 CYS HB2 . 34920 1 578 . 1 . 1 52 52 CYS HB3 H 1 3.007103749 0.0060921137 . . . . . . A 52 CYS HB3 . 34920 1 579 . 1 . 1 52 52 CYS C C 13 174.2485778 0.001846934 . . . . . . A 52 CYS C . 34920 1 580 . 1 . 1 52 52 CYS CA C 13 54.46559556 0.0772754905 . . . . . . A 52 CYS CA . 34920 1 581 . 1 . 1 52 52 CYS CB C 13 41.87804428 0.1251538113 . . . . . . A 52 CYS CB . 34920 1 582 . 1 . 1 52 52 CYS N N 15 119.7656996 0.0428098998 . . . . . . A 52 CYS N . 34920 1 583 . 1 . 1 53 53 ILE H H 1 9.267834807 0.0054790424 . . . . . . A 53 ILE H . 34920 1 584 . 1 . 1 53 53 ILE HA H 1 4.931306455 0.0043261855 . . . . . . A 53 ILE HA . 34920 1 585 . 1 . 1 53 53 ILE HB H 1 2.073787477 0.0038757397 . . . . . . A 53 ILE HB . 34920 1 586 . 1 . 1 53 53 ILE HG12 H 1 1.114031601 0.0068609015 . . . . . . A 53 ILE HG12 . 34920 1 587 . 1 . 1 53 53 ILE HG13 H 1 1.421205088 0.0052884734 . . . . . . A 53 ILE HG13 . 34920 1 588 . 1 . 1 53 53 ILE HG21 H 1 1.02534652 0.0052086801 . . . . . . A 53 ILE HG21 . 34920 1 589 . 1 . 1 53 53 ILE HG22 H 1 1.02534652 0.0052086801 . . . . . . A 53 ILE HG22 . 34920 1 590 . 1 . 1 53 53 ILE HG23 H 1 1.02534652 0.0052086801 . . . . . . A 53 ILE HG23 . 34920 1 591 . 1 . 1 53 53 ILE HD11 H 1 0.8662215424 0.0119512283 . . . . . . A 53 ILE HD11 . 34920 1 592 . 1 . 1 53 53 ILE HD12 H 1 0.8662215424 0.0119512283 . . . . . . A 53 ILE HD12 . 34920 1 593 . 1 . 1 53 53 ILE HD13 H 1 0.8662215424 0.0119512283 . . . . . . A 53 ILE HD13 . 34920 1 594 . 1 . 1 53 53 ILE C C 13 175.6563306 0.0006257964 . . . . . . A 53 ILE C . 34920 1 595 . 1 . 1 53 53 ILE CA C 13 59.06119468 0.0975997266 . . . . . . A 53 ILE CA . 34920 1 596 . 1 . 1 53 53 ILE CB C 13 41.331902 0.0834924703 . . . . . . A 53 ILE CB . 34920 1 597 . 1 . 1 53 53 ILE CG1 C 13 26.04254373 0.1649925723 . . . . . . A 53 ILE CG1 . 34920 1 598 . 1 . 1 53 53 ILE CG2 C 13 17.88003863 . . . . . . . A 53 ILE CG2 . 34920 1 599 . 1 . 1 53 53 ILE CD1 C 13 13.66496454 . . . . . . . A 53 ILE CD1 . 34920 1 600 . 1 . 1 53 53 ILE N N 15 119.4838206 0.1026962468 . . . . . . A 53 ILE N . 34920 1 601 . 1 . 1 54 54 GLU H H 1 9.05819514 0.0028034516 . . . . . . A 54 GLU H . 34920 1 602 . 1 . 1 54 54 GLU HA H 1 3.491857144 0.0027950166 . . . . . . A 54 GLU HA . 34920 1 603 . 1 . 1 54 54 GLU HB2 H 1 1.788551147 0.003063385 . . . . . . A 54 GLU HB2 . 34920 1 604 . 1 . 1 54 54 GLU HB3 H 1 1.888891241 0.0049558152 . . . . . . A 54 GLU HB3 . 34920 1 605 . 1 . 1 54 54 GLU HG2 H 1 2.008169534 0.0034384729 . . . . . . A 54 GLU HG2 . 34920 1 606 . 1 . 1 54 54 GLU HG3 H 1 2.107051563 0.007844015 . . . . . . A 54 GLU HG3 . 34920 1 607 . 1 . 1 54 54 GLU C C 13 175.153401 0.0012304557 . . . . . . A 54 GLU C . 34920 1 608 . 1 . 1 54 54 GLU CB C 13 30.05918808 0.1732137674 . . . . . . A 54 GLU CB . 34920 1 609 . 1 . 1 54 54 GLU CG C 13 36.69309501 0.0297273712 . . . . . . A 54 GLU CG . 34920 1 610 . 1 . 1 54 54 GLU N N 15 123.6547227 0.0193758197 . . . . . . A 54 GLU N . 34920 1 611 . 1 . 1 55 55 ASP H H 1 8.320107975 0.0025583612 . . . . . . A 55 ASP H . 34920 1 612 . 1 . 1 55 55 ASP HA H 1 4.603167673 0.0040546566 . . . . . . A 55 ASP HA . 34920 1 613 . 1 . 1 55 55 ASP HB2 H 1 1.803134482 0.0042840937 . . . . . . A 55 ASP HB2 . 34920 1 614 . 1 . 1 55 55 ASP HB3 H 1 2.46515709 0.0034462788 . . . . . . A 55 ASP HB3 . 34920 1 615 . 1 . 1 55 55 ASP C C 13 175.2616368 0.00114975 . . . . . . A 55 ASP C . 34920 1 616 . 1 . 1 55 55 ASP CA C 13 51.718618 0.1591432734 . . . . . . A 55 ASP CA . 34920 1 617 . 1 . 1 55 55 ASP CB C 13 41.64141979 0.0962265285 . . . . . . A 55 ASP CB . 34920 1 618 . 1 . 1 55 55 ASP N N 15 124.6575642 0.037419569 . . . . . . A 55 ASP N . 34920 1 619 . 1 . 1 56 56 SER H H 1 8.475196825 0.0018104835 . . . . . . A 56 SER H . 34920 1 620 . 1 . 1 56 56 SER HA H 1 4.239673845 0.0007377375 . . . . . . A 56 SER HA . 34920 1 621 . 1 . 1 56 56 SER HB2 H 1 3.854045037 0.003827906 . . . . . . A 56 SER HB2 . 34920 1 622 . 1 . 1 56 56 SER HB3 H 1 3.945766947 0.0012176248 . . . . . . A 56 SER HB3 . 34920 1 623 . 1 . 1 56 56 SER C C 13 174.6137567 0.002589149 . . . . . . A 56 SER C . 34920 1 624 . 1 . 1 56 56 SER CA C 13 59.43291565 0.011954363 . . . . . . A 56 SER CA . 34920 1 625 . 1 . 1 56 56 SER CB C 13 63.6794737 0.1160458355 . . . . . . A 56 SER CB . 34920 1 626 . 1 . 1 56 56 SER N N 15 118.2343048 0.0494350099 . . . . . . A 56 SER N . 34920 1 627 . 1 . 1 57 57 ASN H H 1 8.403932516 0.0025011726 . . . . . . A 57 ASN H . 34920 1 628 . 1 . 1 57 57 ASN HA H 1 5.014297635 0.0012980259 . . . . . . A 57 ASN HA . 34920 1 629 . 1 . 1 57 57 ASN HB2 H 1 2.400176214 0.0055796312 . . . . . . A 57 ASN HB2 . 34920 1 630 . 1 . 1 57 57 ASN HB3 H 1 2.728758303 0.0033631462 . . . . . . A 57 ASN HB3 . 34920 1 631 . 1 . 1 57 57 ASN HD21 H 1 6.735440144 0.0014164523 . . . . . . A 57 ASN HD21 . 34920 1 632 . 1 . 1 57 57 ASN HD22 H 1 7.497655785 0.0013415619 . . . . . . A 57 ASN HD22 . 34920 1 633 . 1 . 1 57 57 ASN C C 13 180.1126547 . . . . . . . A 57 ASN C . 34920 1 634 . 1 . 1 57 57 ASN CA C 13 52.05921426 . . . . . . . A 57 ASN CA . 34920 1 635 . 1 . 1 57 57 ASN CB C 13 40.00937833 0.1525496352 . . . . . . A 57 ASN CB . 34920 1 636 . 1 . 1 57 57 ASN CG C 13 178.3454385 0.0064665887 . . . . . . A 57 ASN CG . 34920 1 637 . 1 . 1 57 57 ASN N N 15 118.6014894 0.053921473 . . . . . . A 57 ASN N . 34920 1 638 . 1 . 1 57 57 ASN ND2 N 15 111.9975906 0.2277542798 . . . . . . A 57 ASN ND2 . 34920 1 639 . 1 . 1 58 58 PRO HA H 1 4.491683683 0.0044865026 . . . . . . A 58 PRO HA . 34920 1 640 . 1 . 1 58 58 PRO HB2 H 1 2.068526946 0.0020507934 . . . . . . A 58 PRO HB2 . 34920 1 641 . 1 . 1 58 58 PRO HB3 H 1 1.696731563 0.003503518 . . . . . . A 58 PRO HB3 . 34920 1 642 . 1 . 1 58 58 PRO HG2 H 1 1.98260278 0.0012313755 . . . . . . A 58 PRO HG2 . 34920 1 643 . 1 . 1 58 58 PRO HG3 H 1 1.818040741 0.0047778293 . . . . . . A 58 PRO HG3 . 34920 1 644 . 1 . 1 58 58 PRO HD2 H 1 3.295874405 0.004710346 . . . . . . A 58 PRO HD2 . 34920 1 645 . 1 . 1 58 58 PRO HD3 H 1 3.428501527 0.0031551124 . . . . . . A 58 PRO HD3 . 34920 1 646 . 1 . 1 58 58 PRO C C 13 176.9042744 0.0007320468 . . . . . . A 58 PRO C . 34920 1 647 . 1 . 1 58 58 PRO CA C 13 63.60833882 0.1198194325 . . . . . . A 58 PRO CA . 34920 1 648 . 1 . 1 58 58 PRO CB C 13 32.16398283 0.1076711385 . . . . . . A 58 PRO CB . 34920 1 649 . 1 . 1 58 58 PRO CG C 13 27.78119575 0.1022162696 . . . . . . A 58 PRO CG . 34920 1 650 . 1 . 1 58 58 PRO CD C 13 49.43043519 0.0636675767 . . . . . . A 58 PRO CD . 34920 1 651 . 1 . 1 59 59 THR H H 1 8.843963031 0.0024298148 . . . . . . A 59 THR H . 34920 1 652 . 1 . 1 59 59 THR HA H 1 4.533411562 0.0029697866 . . . . . . A 59 THR HA . 34920 1 653 . 1 . 1 59 59 THR HB H 1 4.248593287 0.005536457 . . . . . . A 59 THR HB . 34920 1 654 . 1 . 1 59 59 THR HG21 H 1 1.136043319 0.0022568744 . . . . . . A 59 THR HG21 . 34920 1 655 . 1 . 1 59 59 THR HG22 H 1 1.136043319 0.0022568744 . . . . . . A 59 THR HG22 . 34920 1 656 . 1 . 1 59 59 THR HG23 H 1 1.136043319 0.0022568744 . . . . . . A 59 THR HG23 . 34920 1 657 . 1 . 1 59 59 THR C C 13 174.4761454 0.0026652698 . . . . . . A 59 THR C . 34920 1 658 . 1 . 1 59 59 THR CA C 13 59.58311627 0.0603428705 . . . . . . A 59 THR CA . 34920 1 659 . 1 . 1 59 59 THR CB C 13 71.51691998 0.0467030496 . . . . . . A 59 THR CB . 34920 1 660 . 1 . 1 59 59 THR CG2 C 13 21.38828646 0.0422197794 . . . . . . A 59 THR CG2 . 34920 1 661 . 1 . 1 59 59 THR N N 15 113.0354964 0.0716539195 . . . . . . A 59 THR N . 34920 1 662 . 1 . 1 60 60 CYS H H 1 8.541605364 0.0015781565 . . . . . . A 60 CYS H . 34920 1 663 . 1 . 1 60 60 CYS HA H 1 4.430535212 0.0042564973 . . . . . . A 60 CYS HA . 34920 1 664 . 1 . 1 60 60 CYS HB2 H 1 2.629132895 0.0102445405 . . . . . . A 60 CYS HB2 . 34920 1 665 . 1 . 1 60 60 CYS HB3 H 1 3.045319626 0.0081528311 . . . . . . A 60 CYS HB3 . 34920 1 666 . 1 . 1 60 60 CYS C C 13 176.257094 0.0042572932 . . . . . . A 60 CYS C . 34920 1 667 . 1 . 1 60 60 CYS CA C 13 55.57957191 0.0919626714 . . . . . . A 60 CYS CA . 34920 1 668 . 1 . 1 60 60 CYS CB C 13 36.58423969 0.0858862094 . . . . . . A 60 CYS CB . 34920 1 669 . 1 . 1 60 60 CYS N N 15 120.8920226 0.0072405759 . . . . . . A 60 CYS N . 34920 1 670 . 1 . 1 61 61 GLY H H 1 8.167678718 0.0035927939 . . . . . . A 61 GLY H . 34920 1 671 . 1 . 1 61 61 GLY HA2 H 1 3.730415884 0.0094403266 . . . . . . A 61 GLY HA2 . 34920 1 672 . 1 . 1 61 61 GLY HA3 H 1 4.115224229 0.0033625896 . . . . . . A 61 GLY HA3 . 34920 1 673 . 1 . 1 61 61 GLY C C 13 173.0813286 0.0013880781 . . . . . . A 61 GLY C . 34920 1 674 . 1 . 1 61 61 GLY CA C 13 45.69339322 0.0245191307 . . . . . . A 61 GLY CA . 34920 1 675 . 1 . 1 61 61 GLY N N 15 105.3295298 0.1006770786 . . . . . . A 61 GLY N . 34920 1 676 . 1 . 1 62 62 ASN H H 1 7.353771299 0.0026247769 . . . . . . A 62 ASN H . 34920 1 677 . 1 . 1 62 62 ASN HA H 1 5.014099452 0.0003714001 . . . . . . A 62 ASN HA . 34920 1 678 . 1 . 1 62 62 ASN HB2 H 1 2.580250787 0.0050951565 . . . . . . A 62 ASN HB2 . 34920 1 679 . 1 . 1 62 62 ASN HB3 H 1 2.844924742 0.0018284013 . . . . . . A 62 ASN HB3 . 34920 1 680 . 1 . 1 62 62 ASN HD21 H 1 6.841955949 0.0007996841 . . . . . . A 62 ASN HD21 . 34920 1 681 . 1 . 1 62 62 ASN HD22 H 1 7.61891452 0.0023653915 . . . . . . A 62 ASN HD22 . 34920 1 682 . 1 . 1 62 62 ASN C C 13 175.0091386 . . . . . . . A 62 ASN C . 34920 1 683 . 1 . 1 62 62 ASN CA C 13 51.9777009 0.1088110386 . . . . . . A 62 ASN CA . 34920 1 684 . 1 . 1 62 62 ASN CB C 13 39.9435949 0.1103445148 . . . . . . A 62 ASN CB . 34920 1 685 . 1 . 1 62 62 ASN CG C 13 176.553051 0.0044165917 . . . . . . A 62 ASN CG . 34920 1 686 . 1 . 1 62 62 ASN N N 15 118.1820967 0.0210829133 . . . . . . A 62 ASN N . 34920 1 687 . 1 . 1 62 62 ASN ND2 N 15 112.7397539 0.0332536595 . . . . . . A 62 ASN ND2 . 34920 1 688 . 1 . 1 63 63 ASN H H 1 9.435697808 0.0059980626 . . . . . . A 63 ASN H . 34920 1 689 . 1 . 1 63 63 ASN HA H 1 4.408217492 0.0031158021 . . . . . . A 63 ASN HA . 34920 1 690 . 1 . 1 63 63 ASN HB2 H 1 2.431747692 0.0035856395 . . . . . . A 63 ASN HB2 . 34920 1 691 . 1 . 1 63 63 ASN HB3 H 1 3.219669422 0.0024159653 . . . . . . A 63 ASN HB3 . 34920 1 692 . 1 . 1 63 63 ASN HD21 H 1 6.995728379 0.0010566312 . . . . . . A 63 ASN HD21 . 34920 1 693 . 1 . 1 63 63 ASN HD22 H 1 7.838089895 0.0025793405 . . . . . . A 63 ASN HD22 . 34920 1 694 . 1 . 1 63 63 ASN C C 13 175.9768843 0.7961475019 . . . . . . A 63 ASN C . 34920 1 695 . 1 . 1 63 63 ASN CA C 13 53.99733124 0.0138300988 . . . . . . A 63 ASN CA . 34920 1 696 . 1 . 1 63 63 ASN CB C 13 37.56070522 0.1998201769 . . . . . . A 63 ASN CB . 34920 1 697 . 1 . 1 63 63 ASN CG C 13 178.637442 0.012562427 . . . . . . A 63 ASN CG . 34920 1 698 . 1 . 1 63 63 ASN N N 15 124.6641925 0.0588020959 . . . . . . A 63 ASN N . 34920 1 699 . 1 . 1 63 63 ASN ND2 N 15 112.4594467 0.0410961687 . . . . . . A 63 ASN ND2 . 34920 1 700 . 1 . 1 64 64 ASN H H 1 8.993236035 0.0026964668 . . . . . . A 64 ASN H . 34920 1 701 . 1 . 1 64 64 ASN HA H 1 4.80415596 0.0026235155 . . . . . . A 64 ASN HA . 34920 1 702 . 1 . 1 64 64 ASN HB2 H 1 2.2273853 0.0032212342 . . . . . . A 64 ASN HB2 . 34920 1 703 . 1 . 1 64 64 ASN HB3 H 1 3.227561631 0.0065128312 . . . . . . A 64 ASN HB3 . 34920 1 704 . 1 . 1 64 64 ASN HD21 H 1 6.467021634 0.0036128148 . . . . . . A 64 ASN HD21 . 34920 1 705 . 1 . 1 64 64 ASN HD22 H 1 7.113732373 0.0023200205 . . . . . . A 64 ASN HD22 . 34920 1 706 . 1 . 1 64 64 ASN C C 13 175.9465843 0.003556455 . . . . . . A 64 ASN C . 34920 1 707 . 1 . 1 64 64 ASN CB C 13 39.28031693 0.15005529 . . . . . . A 64 ASN CB . 34920 1 708 . 1 . 1 64 64 ASN CG C 13 176.7021619 0.0010295196 . . . . . . A 64 ASN CG . 34920 1 709 . 1 . 1 64 64 ASN N N 15 119.2965266 0.0302634124 . . . . . . A 64 ASN N . 34920 1 710 . 1 . 1 64 64 ASN ND2 N 15 111.6470911 0.0508050437 . . . . . . A 64 ASN ND2 . 34920 1 711 . 1 . 1 65 65 GLY H H 1 7.626439049 0.0022713058 . . . . . . A 65 GLY H . 34920 1 712 . 1 . 1 65 65 GLY HA2 H 1 3.597678928 0.0088800678 . . . . . . A 65 GLY HA2 . 34920 1 713 . 1 . 1 65 65 GLY HA3 H 1 4.061402245 0.0090246967 . . . . . . A 65 GLY HA3 . 34920 1 714 . 1 . 1 65 65 GLY C C 13 172.5790477 0.0017346966 . . . . . . A 65 GLY C . 34920 1 715 . 1 . 1 65 65 GLY CA C 13 46.60530641 0.0572564148 . . . . . . A 65 GLY CA . 34920 1 716 . 1 . 1 65 65 GLY N N 15 106.5559902 0.0415201307 . . . . . . A 65 GLY N . 34920 1 717 . 1 . 1 66 66 GLY H H 1 8.032595175 0.0028035812 . . . . . . A 66 GLY H . 34920 1 718 . 1 . 1 66 66 GLY HA2 H 1 3.445182948 0.005833096 . . . . . . A 66 GLY HA2 . 34920 1 719 . 1 . 1 66 66 GLY HA3 H 1 4.493212924 0.0082546835 . . . . . . A 66 GLY HA3 . 34920 1 720 . 1 . 1 66 66 GLY C C 13 175.4640481 0.0005877915 . . . . . . A 66 GLY C . 34920 1 721 . 1 . 1 66 66 GLY CA C 13 44.44049603 0.1470009996 . . . . . . A 66 GLY CA . 34920 1 722 . 1 . 1 66 66 GLY N N 15 104.9704479 0.0428666893 . . . . . . A 66 GLY N . 34920 1 723 . 1 . 1 67 67 CYS H H 1 7.82570361 0.0028149275 . . . . . . A 67 CYS H . 34920 1 724 . 1 . 1 67 67 CYS HA H 1 4.277297885 0.0041926306 . . . . . . A 67 CYS HA . 34920 1 725 . 1 . 1 67 67 CYS HB2 H 1 2.769156538 0.0033943811 . . . . . . A 67 CYS HB2 . 34920 1 726 . 1 . 1 67 67 CYS HB3 H 1 3.081895671 0.0058125525 . . . . . . A 67 CYS HB3 . 34920 1 727 . 1 . 1 67 67 CYS C C 13 174.0547093 0.0008517545 . . . . . . A 67 CYS C . 34920 1 728 . 1 . 1 67 67 CYS CA C 13 53.17709849 0.2050087027 . . . . . . A 67 CYS CA . 34920 1 729 . 1 . 1 67 67 CYS CB C 13 37.10874183 0.109116697 . . . . . . A 67 CYS CB . 34920 1 730 . 1 . 1 67 67 CYS N N 15 119.311561 0.0431514563 . . . . . . A 67 CYS N . 34920 1 731 . 1 . 1 68 68 ASP H H 1 8.705368935 0.0027284322 . . . . . . A 68 ASP H . 34920 1 732 . 1 . 1 68 68 ASP HA H 1 4.36887378 0.00232855 . . . . . . A 68 ASP HA . 34920 1 733 . 1 . 1 68 68 ASP HB2 H 1 2.285315587 0.001104469 . . . . . . A 68 ASP HB2 . 34920 1 734 . 1 . 1 68 68 ASP HB3 H 1 2.442372009 . . . . . . . A 68 ASP HB3 . 34920 1 735 . 1 . 1 68 68 ASP C C 13 175.7746359 . . . . . . . A 68 ASP C . 34920 1 736 . 1 . 1 68 68 ASP CB C 13 44.54522137 . . . . . . . A 68 ASP CB . 34920 1 737 . 1 . 1 68 68 ASP N N 15 123.770598 0.0440669587 . . . . . . A 68 ASP N . 34920 1 738 . 1 . 1 69 69 PRO HA H 1 4.145037502 0.0037350151 . . . . . . A 69 PRO HA . 34920 1 739 . 1 . 1 69 69 PRO HB2 H 1 2.433467006 0.0044204506 . . . . . . A 69 PRO HB2 . 34920 1 740 . 1 . 1 69 69 PRO HB3 H 1 1.932023033 0.0008761397 . . . . . . A 69 PRO HB3 . 34920 1 741 . 1 . 1 69 69 PRO HG2 H 1 2.06315577 0.002165772 . . . . . . A 69 PRO HG2 . 34920 1 742 . 1 . 1 69 69 PRO HD2 H 1 3.595768194 0.0030315801 . . . . . . A 69 PRO HD2 . 34920 1 743 . 1 . 1 69 69 PRO HD3 H 1 3.784123328 0.0018114287 . . . . . . A 69 PRO HD3 . 34920 1 744 . 1 . 1 69 69 PRO C C 13 177.6016262 0.0022634925 . . . . . . A 69 PRO C . 34920 1 745 . 1 . 1 69 69 PRO CA C 13 65.86000000 0.1400000000 . . . . . . A 69 PRO CA . 34920 1 746 . 1 . 1 69 69 PRO CB C 13 32.82800092 0.0799558057 . . . . . . A 69 PRO CB . 34920 1 747 . 1 . 1 69 69 PRO CG C 13 27.56595078 0.1218979779 . . . . . . A 69 PRO CG . 34920 1 748 . 1 . 1 69 69 PRO CD C 13 50.96238998 0.0281719194 . . . . . . A 69 PRO CD . 34920 1 749 . 1 . 1 70 70 THR H H 1 9.049146688 0.0038010293 . . . . . . A 70 THR H . 34920 1 750 . 1 . 1 70 70 THR HA H 1 4.330483116 0.0100530305 . . . . . . A 70 THR HA . 34920 1 751 . 1 . 1 70 70 THR HB H 1 4.370611701 . . . . . . . A 70 THR HB . 34920 1 752 . 1 . 1 70 70 THR HG21 H 1 1.250621848 0.0021604278 . . . . . . A 70 THR HG21 . 34920 1 753 . 1 . 1 70 70 THR HG22 H 1 1.250621848 0.0021604278 . . . . . . A 70 THR HG22 . 34920 1 754 . 1 . 1 70 70 THR HG23 H 1 1.250621848 0.0021604278 . . . . . . A 70 THR HG23 . 34920 1 755 . 1 . 1 70 70 THR C C 13 174.9128434 0.0043662797 . . . . . . A 70 THR C . 34920 1 756 . 1 . 1 70 70 THR CA C 13 62.35497926 0.1199251035 . . . . . . A 70 THR CA . 34920 1 757 . 1 . 1 70 70 THR CB C 13 70.11972405 0.0479530741 . . . . . . A 70 THR CB . 34920 1 758 . 1 . 1 70 70 THR CG2 C 13 21.49445921 0.0076598721 . . . . . . A 70 THR CG2 . 34920 1 759 . 1 . 1 70 70 THR N N 15 107.726163 0.0350619668 . . . . . . A 70 THR N . 34920 1 760 . 1 . 1 71 71 ALA H H 1 8.182214558 0.0020238771 . . . . . . A 71 ALA H . 34920 1 761 . 1 . 1 71 71 ALA HA H 1 4.600537337 0.0047497769 . . . . . . A 71 ALA HA . 34920 1 762 . 1 . 1 71 71 ALA HB1 H 1 1.399895062 0.0015449849 . . . . . . A 71 ALA HB1 . 34920 1 763 . 1 . 1 71 71 ALA HB2 H 1 1.399895062 0.0015449849 . . . . . . A 71 ALA HB2 . 34920 1 764 . 1 . 1 71 71 ALA HB3 H 1 1.399895062 0.0015449849 . . . . . . A 71 ALA HB3 . 34920 1 765 . 1 . 1 71 71 ALA C C 13 179.357139 0.001826781 . . . . . . A 71 ALA C . 34920 1 766 . 1 . 1 71 71 ALA CA C 13 51.18000404 0.1303489072 . . . . . . A 71 ALA CA . 34920 1 767 . 1 . 1 71 71 ALA CB C 13 20.05874004 0.034104975 . . . . . . A 71 ALA CB . 34920 1 768 . 1 . 1 71 71 ALA N N 15 125.237777 0.0268446206 . . . . . . A 71 ALA N . 34920 1 769 . 1 . 1 72 72 GLY H H 1 9.175091475 0.0040097139 . . . . . . A 72 GLY H . 34920 1 770 . 1 . 1 72 72 GLY HA2 H 1 3.644554355 0.0049443658 . . . . . . A 72 GLY HA2 . 34920 1 771 . 1 . 1 72 72 GLY HA3 H 1 4.337447421 0.0054837542 . . . . . . A 72 GLY HA3 . 34920 1 772 . 1 . 1 72 72 GLY C C 13 172.2138442 0.0014985984 . . . . . . A 72 GLY C . 34920 1 773 . 1 . 1 72 72 GLY CA C 13 45.12182633 0.0682827544 . . . . . . A 72 GLY CA . 34920 1 774 . 1 . 1 72 72 GLY N N 15 107.7616274 0.0052529928 . . . . . . A 72 GLY N . 34920 1 775 . 1 . 1 73 73 CYS H H 1 8.379935674 0.0029114899 . . . . . . A 73 CYS H . 34920 1 776 . 1 . 1 73 73 CYS HA H 1 5.229467256 0.0056226575 . . . . . . A 73 CYS HA . 34920 1 777 . 1 . 1 73 73 CYS HB2 H 1 2.363440724 0.0080826651 . . . . . . A 73 CYS HB2 . 34920 1 778 . 1 . 1 73 73 CYS HB3 H 1 2.704572815 0.0054887111 . . . . . . A 73 CYS HB3 . 34920 1 779 . 1 . 1 73 73 CYS C C 13 173.7185041 0.0364458207 . . . . . . A 73 CYS C . 34920 1 780 . 1 . 1 73 73 CYS CA C 13 55.76894783 0.0812858754 . . . . . . A 73 CYS CA . 34920 1 781 . 1 . 1 73 73 CYS CB C 13 38.43512227 0.0368187443 . . . . . . A 73 CYS CB . 34920 1 782 . 1 . 1 73 73 CYS N N 15 123.6602855 0.0451171277 . . . . . . A 73 CYS N . 34920 1 783 . 1 . 1 74 74 GLN H H 1 8.837724457 0.0032585256 . . . . . . A 74 GLN H . 34920 1 784 . 1 . 1 74 74 GLN HA H 1 4.711046017 0.0041529113 . . . . . . A 74 GLN HA . 34920 1 785 . 1 . 1 74 74 GLN HB2 H 1 2.00485983 0.0041346523 . . . . . . A 74 GLN HB2 . 34920 1 786 . 1 . 1 74 74 GLN HB3 H 1 2.090693932 0.0031813249 . . . . . . A 74 GLN HB3 . 34920 1 787 . 1 . 1 74 74 GLN HG2 H 1 2.242007088 0.0054062842 . . . . . . A 74 GLN HG2 . 34920 1 788 . 1 . 1 74 74 GLN HG3 H 1 2.40888914 0.0071751057 . . . . . . A 74 GLN HG3 . 34920 1 789 . 1 . 1 74 74 GLN CA C 13 55.46494569 0.1631714529 . . . . . . A 74 GLN CA . 34920 1 790 . 1 . 1 74 74 GLN CB C 13 33.6557538 0.116736985 . . . . . . A 74 GLN CB . 34920 1 791 . 1 . 1 74 74 GLN CG C 13 34.25100301 0.233323896 . . . . . . A 74 GLN CG . 34920 1 792 . 1 . 1 74 74 GLN N N 15 129.1106629 0.0164625628 . . . . . . A 74 GLN N . 34920 1 793 . 1 . 1 75 75 THR H H 1 8.423173771 0.0024331584 . . . . . . A 75 THR H . 34920 1 794 . 1 . 1 75 75 THR HA H 1 4.988371328 0.0037798172 . . . . . . A 75 THR HA . 34920 1 795 . 1 . 1 75 75 THR HB H 1 4.169486506 0.0040522455 . . . . . . A 75 THR HB . 34920 1 796 . 1 . 1 75 75 THR HG21 H 1 1.24141278 0.0011894866 . . . . . . A 75 THR HG21 . 34920 1 797 . 1 . 1 75 75 THR HG22 H 1 1.24141278 0.0011894866 . . . . . . A 75 THR HG22 . 34920 1 798 . 1 . 1 75 75 THR HG23 H 1 1.24141278 0.0011894866 . . . . . . A 75 THR HG23 . 34920 1 799 . 1 . 1 75 75 THR C C 13 174.5151631 0.0044444518 . . . . . . A 75 THR C . 34920 1 800 . 1 . 1 75 75 THR CA C 13 60.90058674 0.0950048786 . . . . . . A 75 THR CA . 34920 1 801 . 1 . 1 75 75 THR CB C 13 70.42485366 0.0852845235 . . . . . . A 75 THR CB . 34920 1 802 . 1 . 1 75 75 THR CG2 C 13 22.37935379 . . . . . . . A 75 THR CG2 . 34920 1 803 . 1 . 1 75 75 THR N N 15 114.2111454 0.0534131733 . . . . . . A 75 THR N . 34920 1 804 . 1 . 1 76 76 ALA H H 1 8.586199636 0.0019445634 . . . . . . A 76 ALA H . 34920 1 805 . 1 . 1 76 76 ALA HA H 1 4.467105748 0.0044639269 . . . . . . A 76 ALA HA . 34920 1 806 . 1 . 1 76 76 ALA HB1 H 1 1.310990862 0.0039418622 . . . . . . A 76 ALA HB1 . 34920 1 807 . 1 . 1 76 76 ALA HB2 H 1 1.310990862 0.0039418622 . . . . . . A 76 ALA HB2 . 34920 1 808 . 1 . 1 76 76 ALA HB3 H 1 1.310990862 0.0039418622 . . . . . . A 76 ALA HB3 . 34920 1 809 . 1 . 1 76 76 ALA C C 13 176.8288335 0.0008452073 . . . . . . A 76 ALA C . 34920 1 810 . 1 . 1 76 76 ALA CA C 13 51.38125981 0.0583670705 . . . . . . A 76 ALA CA . 34920 1 811 . 1 . 1 76 76 ALA CB C 13 20.84777667 0.0198656411 . . . . . . A 76 ALA CB . 34920 1 812 . 1 . 1 76 76 ALA N N 15 126.8681309 0.0284092957 . . . . . . A 76 ALA N . 34920 1 813 . 1 . 1 77 77 GLU H H 1 8.525087368 0.0015072031 . . . . . . A 77 GLU H . 34920 1 814 . 1 . 1 77 77 GLU HA H 1 4.320475526 0.0038909447 . . . . . . A 77 GLU HA . 34920 1 815 . 1 . 1 77 77 GLU HB2 H 1 1.91444033 0.001555093 . . . . . . A 77 GLU HB2 . 34920 1 816 . 1 . 1 77 77 GLU HB3 H 1 2.029470622 0.002276886 . . . . . . A 77 GLU HB3 . 34920 1 817 . 1 . 1 77 77 GLU HG2 H 1 2.240846217 0.0082287049 . . . . . . A 77 GLU HG2 . 34920 1 818 . 1 . 1 77 77 GLU HG3 H 1 2.240846217 0.0082287049 . . . . . . A 77 GLU HG3 . 34920 1 819 . 1 . 1 77 77 GLU C C 13 176.1647828 0.0014090363 . . . . . . A 77 GLU C . 34920 1 820 . 1 . 1 77 77 GLU CA C 13 56.49800000 0.0730000000 . . . . . . A 77 GLU CA . 34920 1 821 . 1 . 1 77 77 GLU CB C 13 30.07227652 0.0558637813 . . . . . . A 77 GLU CB . 34920 1 822 . 1 . 1 77 77 GLU CG C 13 36.14446921 0.1598555972 . . . . . . A 77 GLU CG . 34920 1 823 . 1 . 1 77 77 GLU N N 15 120.9059526 0.0094162384 . . . . . . A 77 GLU N . 34920 1 824 . 1 . 1 78 78 ASN H H 1 8.30900469 0.0019957882 . . . . . . A 78 ASN H . 34920 1 825 . 1 . 1 78 78 ASN HA H 1 4.655330074 0.0037385873 . . . . . . A 78 ASN HA . 34920 1 826 . 1 . 1 78 78 ASN HB2 H 1 2.712361858 0.0033468506 . . . . . . A 78 ASN HB2 . 34920 1 827 . 1 . 1 78 78 ASN HB3 H 1 2.764370519 0.0046947047 . . . . . . A 78 ASN HB3 . 34920 1 828 . 1 . 1 78 78 ASN HD21 H 1 6.993617246 0.0050976455 . . . . . . A 78 ASN HD21 . 34920 1 829 . 1 . 1 78 78 ASN HD22 H 1 7.645904231 0.0025727558 . . . . . . A 78 ASN HD22 . 34920 1 830 . 1 . 1 78 78 ASN C C 13 174.837175 0.0027898702 . . . . . . A 78 ASN C . 34920 1 831 . 1 . 1 78 78 ASN CA C 13 53.26627172 0.08611369 . . . . . . A 78 ASN CA . 34920 1 832 . 1 . 1 78 78 ASN CB C 13 39.72028678 0.0985994004 . . . . . . A 78 ASN CB . 34920 1 833 . 1 . 1 78 78 ASN N N 15 119.7037558 0.0427493016 . . . . . . A 78 ASN N . 34920 1 834 . 1 . 1 78 78 ASN ND2 N 15 113.2621823 0.045419978 . . . . . . A 78 ASN ND2 . 34920 1 835 . 1 . 1 79 79 ARG H H 1 8.259743363 0.0021136714 . . . . . . A 79 ARG H . 34920 1 836 . 1 . 1 79 79 ARG HA H 1 4.293336221 0.0014313108 . . . . . . A 79 ARG HA . 34920 1 837 . 1 . 1 79 79 ARG HB2 H 1 1.771881711 0.0029313863 . . . . . . A 79 ARG HB2 . 34920 1 838 . 1 . 1 79 79 ARG HB3 H 1 1.862591194 0.0054174179 . . . . . . A 79 ARG HB3 . 34920 1 839 . 1 . 1 79 79 ARG HG2 H 1 1.624521326 0.0041155807 . . . . . . A 79 ARG HG2 . 34920 1 840 . 1 . 1 79 79 ARG HG3 H 1 1.624521326 0.0041155807 . . . . . . A 79 ARG HG3 . 34920 1 841 . 1 . 1 79 79 ARG HD2 H 1 3.186757471 0.00813971 . . . . . . A 79 ARG HD2 . 34920 1 842 . 1 . 1 79 79 ARG HD3 H 1 3.186757471 0.00813971 . . . . . . A 79 ARG HD3 . 34920 1 843 . 1 . 1 79 79 ARG C C 13 176.5591958 0.0016218689 . . . . . . A 79 ARG C . 34920 1 844 . 1 . 1 79 79 ARG CA C 13 56.53082565 0.1351871752 . . . . . . A 79 ARG CA . 34920 1 845 . 1 . 1 79 79 ARG CB C 13 30.90340994 0.0956832604 . . . . . . A 79 ARG CB . 34920 1 846 . 1 . 1 79 79 ARG CG C 13 27.13251836 0.1537161724 . . . . . . A 79 ARG CG . 34920 1 847 . 1 . 1 79 79 ARG CD C 13 43.31870825 0.0756638369 . . . . . . A 79 ARG CD . 34920 1 848 . 1 . 1 79 79 ARG N N 15 120.379695 0.0264643591 . . . . . . A 79 ARG N . 34920 1 849 . 1 . 1 80 80 GLU H H 1 8.638435918 0.0027027243 . . . . . . A 80 GLU H . 34920 1 850 . 1 . 1 80 80 GLU HA H 1 4.248325288 0.001606555 . . . . . . A 80 GLU HA . 34920 1 851 . 1 . 1 80 80 GLU HB2 H 1 1.925551539 0.0025485101 . . . . . . A 80 GLU HB2 . 34920 1 852 . 1 . 1 80 80 GLU HB3 H 1 2.05000697 0.0058518733 . . . . . . A 80 GLU HB3 . 34920 1 853 . 1 . 1 80 80 GLU HG2 H 1 2.255987175 0.0042954363 . . . . . . A 80 GLU HG2 . 34920 1 854 . 1 . 1 80 80 GLU HG3 H 1 2.255987175 0.0042954363 . . . . . . A 80 GLU HG3 . 34920 1 855 . 1 . 1 80 80 GLU C C 13 176.8694814 0.0005676886 . . . . . . A 80 GLU C . 34920 1 856 . 1 . 1 80 80 GLU CA C 13 56.69480616 0.110732623 . . . . . . A 80 GLU CA . 34920 1 857 . 1 . 1 80 80 GLU CB C 13 29.71404692 0.1011084437 . . . . . . A 80 GLU CB . 34920 1 858 . 1 . 1 80 80 GLU CG C 13 36.43194961 0.0386253834 . . . . . . A 80 GLU CG . 34920 1 859 . 1 . 1 80 80 GLU N N 15 119.8651792 0.0362905402 . . . . . . A 80 GLU N . 34920 1 860 . 1 . 1 81 81 ASN H H 1 8.462937236 0.0021139217 . . . . . . A 81 ASN H . 34920 1 861 . 1 . 1 81 81 ASN HA H 1 4.427129753 0.0105550159 . . . . . . A 81 ASN HA . 34920 1 862 . 1 . 1 81 81 ASN HB2 H 1 2.85325778 0.0038552956 . . . . . . A 81 ASN HB2 . 34920 1 863 . 1 . 1 81 81 ASN HB3 H 1 2.85325778 0.0038552956 . . . . . . A 81 ASN HB3 . 34920 1 864 . 1 . 1 81 81 ASN HD21 H 1 6.932157713 0.0027646921 . . . . . . A 81 ASN HD21 . 34920 1 865 . 1 . 1 81 81 ASN HD22 H 1 7.665213869 0.0032342282 . . . . . . A 81 ASN HD22 . 34920 1 866 . 1 . 1 81 81 ASN C C 13 175.6180359 0.0012977934 . . . . . . A 81 ASN C . 34920 1 867 . 1 . 1 81 81 ASN CA C 13 54.97101123 0.0650258651 . . . . . . A 81 ASN CA . 34920 1 868 . 1 . 1 81 81 ASN CB C 13 38.55018918 0.0805994184 . . . . . . A 81 ASN CB . 34920 1 869 . 1 . 1 81 81 ASN CG C 13 176.8307573 0.0072257471 . . . . . . A 81 ASN CG . 34920 1 870 . 1 . 1 81 81 ASN N N 15 119.6788356 0.0602626936 . . . . . . A 81 ASN N . 34920 1 871 . 1 . 1 81 81 ASN ND2 N 15 113.1508011 0.0234840355 . . . . . . A 81 ASN ND2 . 34920 1 872 . 1 . 1 82 82 SER H H 1 8.194536532 0.0021026819 . . . . . . A 82 SER H . 34920 1 873 . 1 . 1 82 82 SER HA H 1 4.2341336 0.0042972717 . . . . . . A 82 SER HA . 34920 1 874 . 1 . 1 82 82 SER HB2 H 1 3.884291602 0.0092388348 . . . . . . A 82 SER HB2 . 34920 1 875 . 1 . 1 82 82 SER HB3 H 1 3.933434273 0.0040707474 . . . . . . A 82 SER HB3 . 34920 1 876 . 1 . 1 82 82 SER C C 13 174.2917092 0.0005608448 . . . . . . A 82 SER C . 34920 1 877 . 1 . 1 82 82 SER CA C 13 59.28575641 0.0722634656 . . . . . . A 82 SER CA . 34920 1 878 . 1 . 1 82 82 SER CB C 13 63.59154875 0.0988619936 . . . . . . A 82 SER CB . 34920 1 879 . 1 . 1 82 82 SER N N 15 113.1801377 0.0353896641 . . . . . . A 82 SER N . 34920 1 880 . 1 . 1 83 83 LYS H H 1 7.989240301 0.004343917 . . . . . . A 83 LYS H . 34920 1 881 . 1 . 1 83 83 LYS HA H 1 4.527959617 0.0037234003 . . . . . . A 83 LYS HA . 34920 1 882 . 1 . 1 83 83 LYS HB2 H 1 1.63965236 0.0051051654 . . . . . . A 83 LYS HB2 . 34920 1 883 . 1 . 1 83 83 LYS HB3 H 1 1.92991547 0.0060704256 . . . . . . A 83 LYS HB3 . 34920 1 884 . 1 . 1 83 83 LYS HG2 H 1 1.444904195 0.0105303835 . . . . . . A 83 LYS HG2 . 34920 1 885 . 1 . 1 83 83 LYS HG3 H 1 1.444904195 0.0105303835 . . . . . . A 83 LYS HG3 . 34920 1 886 . 1 . 1 83 83 LYS HE2 H 1 2.987933206 0.0044882929 . . . . . . A 83 LYS HE2 . 34920 1 887 . 1 . 1 83 83 LYS HE3 H 1 2.987933206 0.0044882929 . . . . . . A 83 LYS HE3 . 34920 1 888 . 1 . 1 83 83 LYS C C 13 175.9397844 0.0008762975 . . . . . . A 83 LYS C . 34920 1 889 . 1 . 1 83 83 LYS CA C 13 55.4802014 0.0820464301 . . . . . . A 83 LYS CA . 34920 1 890 . 1 . 1 83 83 LYS CB C 13 32.84335716 0.1166324866 . . . . . . A 83 LYS CB . 34920 1 891 . 1 . 1 83 83 LYS CG C 13 24.79350706 0.2167140702 . . . . . . A 83 LYS CG . 34920 1 892 . 1 . 1 83 83 LYS CD C 13 28.89749312 0.2152103413 . . . . . . A 83 LYS CD . 34920 1 893 . 1 . 1 83 83 LYS CE C 13 42.12086673 0.046841254 . . . . . . A 83 LYS CE . 34920 1 894 . 1 . 1 83 83 LYS N N 15 120.9436191 0.0416852704 . . . . . . A 83 LYS N . 34920 1 895 . 1 . 1 84 84 LYS H H 1 7.843175498 0.0031471822 . . . . . . A 84 LYS H . 34920 1 896 . 1 . 1 84 84 LYS HA H 1 4.32652719 0.0069707852 . . . . . . A 84 LYS HA . 34920 1 897 . 1 . 1 84 84 LYS HB2 H 1 1.756185995 0.0070868849 . . . . . . A 84 LYS HB2 . 34920 1 898 . 1 . 1 84 84 LYS HB3 H 1 1.920974167 0.0099191337 . . . . . . A 84 LYS HB3 . 34920 1 899 . 1 . 1 84 84 LYS HG2 H 1 1.525568532 0.0021322341 . . . . . . A 84 LYS HG2 . 34920 1 900 . 1 . 1 84 84 LYS HG3 H 1 1.525568532 0.0021322341 . . . . . . A 84 LYS HG3 . 34920 1 901 . 1 . 1 84 84 LYS HD2 H 1 1.675424975 0.0052602147 . . . . . . A 84 LYS HD2 . 34920 1 902 . 1 . 1 84 84 LYS HD3 H 1 1.675424975 0.0052602147 . . . . . . A 84 LYS HD3 . 34920 1 903 . 1 . 1 84 84 LYS HE2 H 1 3.00511505 0.0055271907 . . . . . . A 84 LYS HE2 . 34920 1 904 . 1 . 1 84 84 LYS HE3 H 1 3.00511505 0.0055271907 . . . . . . A 84 LYS HE3 . 34920 1 905 . 1 . 1 84 84 LYS C C 13 175.1369431 0.0128658089 . . . . . . A 84 LYS C . 34920 1 906 . 1 . 1 84 84 LYS CA C 13 57.40543031 0.0018288683 . . . . . . A 84 LYS CA . 34920 1 907 . 1 . 1 84 84 LYS CB C 13 34.04843687 0.0990030968 . . . . . . A 84 LYS CB . 34920 1 908 . 1 . 1 84 84 LYS CG C 13 25.49316907 0.2192952945 . . . . . . A 84 LYS CG . 34920 1 909 . 1 . 1 84 84 LYS CD C 13 29.62440092 0.1581391348 . . . . . . A 84 LYS CD . 34920 1 910 . 1 . 1 84 84 LYS CE C 13 42.70856611 . . . . . . . A 84 LYS CE . 34920 1 911 . 1 . 1 84 84 LYS N N 15 119.8367303 0.0303778276 . . . . . . A 84 LYS N . 34920 1 912 . 1 . 1 85 85 ILE H H 1 7.513270503 0.0049176247 . . . . . . A 85 ILE H . 34920 1 913 . 1 . 1 85 85 ILE HA H 1 4.561247547 0.0064808879 . . . . . . A 85 ILE HA . 34920 1 914 . 1 . 1 85 85 ILE HB H 1 1.88901717 0.0064141361 . . . . . . A 85 ILE HB . 34920 1 915 . 1 . 1 85 85 ILE HG12 H 1 1.712121402 0.0071513668 . . . . . . A 85 ILE HG12 . 34920 1 916 . 1 . 1 85 85 ILE HG13 H 1 1.332994748 0.0057768559 . . . . . . A 85 ILE HG13 . 34920 1 917 . 1 . 1 85 85 ILE HG21 H 1 0.9656722247 0.0020046626 . . . . . . A 85 ILE HG21 . 34920 1 918 . 1 . 1 85 85 ILE HG22 H 1 0.9656722247 0.0020046626 . . . . . . A 85 ILE HG22 . 34920 1 919 . 1 . 1 85 85 ILE HG23 H 1 0.9656722247 0.0020046626 . . . . . . A 85 ILE HG23 . 34920 1 920 . 1 . 1 85 85 ILE HD11 H 1 0.5250911361 0.004599312 . . . . . . A 85 ILE HD11 . 34920 1 921 . 1 . 1 85 85 ILE HD12 H 1 0.5250911361 0.004599312 . . . . . . A 85 ILE HD12 . 34920 1 922 . 1 . 1 85 85 ILE HD13 H 1 0.5250911361 0.004599312 . . . . . . A 85 ILE HD13 . 34920 1 923 . 1 . 1 85 85 ILE C C 13 174.8404246 0.0027097558 . . . . . . A 85 ILE C . 34920 1 924 . 1 . 1 85 85 ILE CA C 13 57.80723828 0.1046641525 . . . . . . A 85 ILE CA . 34920 1 925 . 1 . 1 85 85 ILE CB C 13 39.06654867 0.1291648852 . . . . . . A 85 ILE CB . 34920 1 926 . 1 . 1 85 85 ILE CG1 C 13 23.96688724 0.2098551871 . . . . . . A 85 ILE CG1 . 34920 1 927 . 1 . 1 85 85 ILE CG2 C 13 18.58820317 . . . . . . . A 85 ILE CG2 . 34920 1 928 . 1 . 1 85 85 ILE CD1 C 13 9.816934644 0.0772099349 . . . . . . A 85 ILE CD1 . 34920 1 929 . 1 . 1 85 85 ILE N N 15 120.8638423 0.0278959708 . . . . . . A 85 ILE N . 34920 1 930 . 1 . 1 86 86 ILE H H 1 8.777488193 0.0023810333 . . . . . . A 86 ILE H . 34920 1 931 . 1 . 1 86 86 ILE HA H 1 4.146344425 0.0050593693 . . . . . . A 86 ILE HA . 34920 1 932 . 1 . 1 86 86 ILE HB H 1 1.563396277 0.0056117659 . . . . . . A 86 ILE HB . 34920 1 933 . 1 . 1 86 86 ILE HG12 H 1 0.9982685276 0.0051203402 . . . . . . A 86 ILE HG12 . 34920 1 934 . 1 . 1 86 86 ILE HG13 H 1 1.34853435 0.0071391534 . . . . . . A 86 ILE HG13 . 34920 1 935 . 1 . 1 86 86 ILE HG21 H 1 0.7659900631 0.0077773422 . . . . . . A 86 ILE HG21 . 34920 1 936 . 1 . 1 86 86 ILE HG22 H 1 0.7659900631 0.0077773422 . . . . . . A 86 ILE HG22 . 34920 1 937 . 1 . 1 86 86 ILE HG23 H 1 0.7659900631 0.0077773422 . . . . . . A 86 ILE HG23 . 34920 1 938 . 1 . 1 86 86 ILE HD11 H 1 0.7381821948 0.0064920614 . . . . . . A 86 ILE HD11 . 34920 1 939 . 1 . 1 86 86 ILE HD12 H 1 0.7381821948 0.0064920614 . . . . . . A 86 ILE HD12 . 34920 1 940 . 1 . 1 86 86 ILE HD13 H 1 0.7381821948 0.0064920614 . . . . . . A 86 ILE HD13 . 34920 1 941 . 1 . 1 86 86 ILE C C 13 175.6588515 0.0039646576 . . . . . . A 86 ILE C . 34920 1 942 . 1 . 1 86 86 ILE CA C 13 60.26243467 0.0776355965 . . . . . . A 86 ILE CA . 34920 1 943 . 1 . 1 86 86 ILE CB C 13 40.24842811 0.0603798783 . . . . . . A 86 ILE CB . 34920 1 944 . 1 . 1 86 86 ILE CG1 C 13 27.27474637 0.1838568175 . . . . . . A 86 ILE CG1 . 34920 1 945 . 1 . 1 86 86 ILE CG2 C 13 17.46774382 . . . . . . . A 86 ILE CG2 . 34920 1 946 . 1 . 1 86 86 ILE CD1 C 13 13.10668476 0.1176244624 . . . . . . A 86 ILE CD1 . 34920 1 947 . 1 . 1 86 86 ILE N N 15 125.2581201 0.0101777832 . . . . . . A 86 ILE N . 34920 1 948 . 1 . 1 87 87 CYS H H 1 9.112713601 0.0038398844 . . . . . . A 87 CYS H . 34920 1 949 . 1 . 1 87 87 CYS HA H 1 5.699513876 0.0067512131 . . . . . . A 87 CYS HA . 34920 1 950 . 1 . 1 87 87 CYS HB2 H 1 2.797793317 0.0046086479 . . . . . . A 87 CYS HB2 . 34920 1 951 . 1 . 1 87 87 CYS HB3 H 1 3.330419062 0.0113096212 . . . . . . A 87 CYS HB3 . 34920 1 952 . 1 . 1 87 87 CYS C C 13 175.7478777 0.0039428439 . . . . . . A 87 CYS C . 34920 1 953 . 1 . 1 87 87 CYS CA C 13 51.88654172 0.1662611784 . . . . . . A 87 CYS CA . 34920 1 954 . 1 . 1 87 87 CYS CB C 13 39.01342776 0.0618234609 . . . . . . A 87 CYS CB . 34920 1 955 . 1 . 1 87 87 CYS N N 15 128.5276069 0.0256280316 . . . . . . A 87 CYS N . 34920 1 956 . 1 . 1 88 88 THR H H 1 9.108257295 0.0046959909 . . . . . . A 88 THR H . 34920 1 957 . 1 . 1 88 88 THR HA H 1 4.608010434 0.0030862531 . . . . . . A 88 THR HA . 34920 1 958 . 1 . 1 88 88 THR HB H 1 3.875018566 0.0023583382 . . . . . . A 88 THR HB . 34920 1 959 . 1 . 1 88 88 THR HG21 H 1 1.201490159 0.0050372733 . . . . . . A 88 THR HG21 . 34920 1 960 . 1 . 1 88 88 THR HG22 H 1 1.201490159 0.0050372733 . . . . . . A 88 THR HG22 . 34920 1 961 . 1 . 1 88 88 THR HG23 H 1 1.201490159 0.0050372733 . . . . . . A 88 THR HG23 . 34920 1 962 . 1 . 1 88 88 THR C C 13 174.7624885 0.00257098 . . . . . . A 88 THR C . 34920 1 963 . 1 . 1 88 88 THR CA C 13 60.98942707 0.102260476 . . . . . . A 88 THR CA . 34920 1 964 . 1 . 1 88 88 THR CB C 13 70.61944048 0.1236478348 . . . . . . A 88 THR CB . 34920 1 965 . 1 . 1 88 88 THR CG2 C 13 21.30119842 0.086490186 . . . . . . A 88 THR CG2 . 34920 1 966 . 1 . 1 88 88 THR N N 15 118.9618138 0.1265531114 . . . . . . A 88 THR N . 34920 1 967 . 1 . 1 89 89 CYS H H 1 9.31346575 0.003434066 . . . . . . A 89 CYS H . 34920 1 968 . 1 . 1 89 89 CYS HA H 1 4.557278442 0.0034141369 . . . . . . A 89 CYS HA . 34920 1 969 . 1 . 1 89 89 CYS HB2 H 1 2.390372688 0.0047993783 . . . . . . A 89 CYS HB2 . 34920 1 970 . 1 . 1 89 89 CYS HB3 H 1 4.008692423 0.0055355345 . . . . . . A 89 CYS HB3 . 34920 1 971 . 1 . 1 89 89 CYS C C 13 173.5733705 0.0015779042 . . . . . . A 89 CYS C . 34920 1 972 . 1 . 1 89 89 CYS CA C 13 55.91944065 0.0328333247 . . . . . . A 89 CYS CA . 34920 1 973 . 1 . 1 89 89 CYS CB C 13 37.66104436 0.0658969217 . . . . . . A 89 CYS CB . 34920 1 974 . 1 . 1 89 89 CYS N N 15 129.0609796 0.0280314628 . . . . . . A 89 CYS N . 34920 1 975 . 1 . 1 90 90 LYS H H 1 8.926218618 0.0025200687 . . . . . . A 90 LYS H . 34920 1 976 . 1 . 1 90 90 LYS HA H 1 4.652569453 0.002535025 . . . . . . A 90 LYS HA . 34920 1 977 . 1 . 1 90 90 LYS HB2 H 1 1.694540279 0.0106069878 . . . . . . A 90 LYS HB2 . 34920 1 978 . 1 . 1 90 90 LYS HB3 H 1 1.888227136 0.0061887032 . . . . . . A 90 LYS HB3 . 34920 1 979 . 1 . 1 90 90 LYS HG2 H 1 1.186008726 0.0037139568 . . . . . . A 90 LYS HG2 . 34920 1 980 . 1 . 1 90 90 LYS HG3 H 1 1.243360618 0.0017703455 . . . . . . A 90 LYS HG3 . 34920 1 981 . 1 . 1 90 90 LYS HD2 H 1 1.476686879 0.0064479317 . . . . . . A 90 LYS HD2 . 34920 1 982 . 1 . 1 90 90 LYS HD3 H 1 1.476686879 0.0064479317 . . . . . . A 90 LYS HD3 . 34920 1 983 . 1 . 1 90 90 LYS HE2 H 1 2.978163856 0.0060241876 . . . . . . A 90 LYS HE2 . 34920 1 984 . 1 . 1 90 90 LYS HE3 H 1 2.978163856 0.0060241876 . . . . . . A 90 LYS HE3 . 34920 1 985 . 1 . 1 90 90 LYS C C 13 175.4678894 0.0021387758 . . . . . . A 90 LYS C . 34920 1 986 . 1 . 1 90 90 LYS CA C 13 54.43239807 0.0438079202 . . . . . . A 90 LYS CA . 34920 1 987 . 1 . 1 90 90 LYS CB C 13 36.1883549 0.0937691393 . . . . . . A 90 LYS CB . 34920 1 988 . 1 . 1 90 90 LYS CG C 13 24.34254803 0.2225308804 . . . . . . A 90 LYS CG . 34920 1 989 . 1 . 1 90 90 LYS CD C 13 29.51931422 0.1872278367 . . . . . . A 90 LYS CD . 34920 1 990 . 1 . 1 90 90 LYS CE C 13 42.2163968 0.1842850738 . . . . . . A 90 LYS CE . 34920 1 991 . 1 . 1 90 90 LYS N N 15 121.4627212 0.0198693804 . . . . . . A 90 LYS N . 34920 1 992 . 1 . 1 91 91 GLU H H 1 8.713657806 0.0031943048 . . . . . . A 91 GLU H . 34920 1 993 . 1 . 1 91 91 GLU HA H 1 3.947861431 0.0027926195 . . . . . . A 91 GLU HA . 34920 1 994 . 1 . 1 91 91 GLU HB2 H 1 1.79242677 0.0039109495 . . . . . . A 91 GLU HB2 . 34920 1 995 . 1 . 1 91 91 GLU HB3 H 1 2.002469967 0.0052544935 . . . . . . A 91 GLU HB3 . 34920 1 996 . 1 . 1 91 91 GLU HG2 H 1 2.312410325 0.003915306 . . . . . . A 91 GLU HG2 . 34920 1 997 . 1 . 1 91 91 GLU HG3 H 1 2.388371828 0.0036430782 . . . . . . A 91 GLU HG3 . 34920 1 998 . 1 . 1 91 91 GLU C C 13 175.5451769 . . . . . . . A 91 GLU C . 34920 1 999 . 1 . 1 91 91 GLU CA C 13 56.41149327 0.0705011905 . . . . . . A 91 GLU CA . 34920 1 1000 . 1 . 1 91 91 GLU CB C 13 28.79571049 0.1337246536 . . . . . . A 91 GLU CB . 34920 1 1001 . 1 . 1 91 91 GLU CG C 13 35.01631059 0.2019135228 . . . . . . A 91 GLU CG . 34920 1 1002 . 1 . 1 91 91 GLU N N 15 120.7050588 0.0938241082 . . . . . . A 91 GLU N . 34920 1 1003 . 1 . 1 92 92 PRO HA H 1 5.159850445 0.0038895801 . . . . . . A 92 PRO HA . 34920 1 1004 . 1 . 1 92 92 PRO HB2 H 1 2.568896921 0.0046251547 . . . . . . A 92 PRO HB2 . 34920 1 1005 . 1 . 1 92 92 PRO HB3 H 1 2.233802293 0.0024367111 . . . . . . A 92 PRO HB3 . 34920 1 1006 . 1 . 1 92 92 PRO HG2 H 1 1.748986433 0.0090125439 . . . . . . A 92 PRO HG2 . 34920 1 1007 . 1 . 1 92 92 PRO HG3 H 1 2.081955934 0.0023656899 . . . . . . A 92 PRO HG3 . 34920 1 1008 . 1 . 1 92 92 PRO HD2 H 1 3.545214535 0.0045476359 . . . . . . A 92 PRO HD2 . 34920 1 1009 . 1 . 1 92 92 PRO HD3 H 1 3.645696146 0.0048082463 . . . . . . A 92 PRO HD3 . 34920 1 1010 . 1 . 1 92 92 PRO C C 13 175.2867311 0.0038663458 . . . . . . A 92 PRO C . 34920 1 1011 . 1 . 1 92 92 PRO CA C 13 63.97446089 0.0200608168 . . . . . . A 92 PRO CA . 34920 1 1012 . 1 . 1 92 92 PRO CB C 13 33.25943694 0.0874041293 . . . . . . A 92 PRO CB . 34920 1 1013 . 1 . 1 92 92 PRO CG C 13 24.75828831 0.0938185021 . . . . . . A 92 PRO CG . 34920 1 1014 . 1 . 1 92 92 PRO CD C 13 49.94218955 0.0421142146 . . . . . . A 92 PRO CD . 34920 1 1015 . 1 . 1 93 93 THR H H 1 8.922291871 0.0040865865 . . . . . . A 93 THR H . 34920 1 1016 . 1 . 1 93 93 THR HA H 1 4.610602845 0.0047181521 . . . . . . A 93 THR HA . 34920 1 1017 . 1 . 1 93 93 THR HB H 1 3.939901632 0.0029739598 . . . . . . A 93 THR HB . 34920 1 1018 . 1 . 1 93 93 THR HG21 H 1 1.060508397 0.0037196099 . . . . . . A 93 THR HG21 . 34920 1 1019 . 1 . 1 93 93 THR HG22 H 1 1.060508397 0.0037196099 . . . . . . A 93 THR HG22 . 34920 1 1020 . 1 . 1 93 93 THR HG23 H 1 1.060508397 0.0037196099 . . . . . . A 93 THR HG23 . 34920 1 1021 . 1 . 1 93 93 THR C C 13 172.5715712 . . . . . . . A 93 THR C . 34920 1 1022 . 1 . 1 93 93 THR CA C 13 57.52647145 . . . . . . . A 93 THR CA . 34920 1 1023 . 1 . 1 93 93 THR CB C 13 68.65773005 0.1098161462 . . . . . . A 93 THR CB . 34920 1 1024 . 1 . 1 93 93 THR CG2 C 13 20.5014848 . . . . . . . A 93 THR CG2 . 34920 1 1025 . 1 . 1 93 93 THR N N 15 116.4948135 0.0226049406 . . . . . . A 93 THR N . 34920 1 1026 . 1 . 1 94 94 PRO HA H 1 3.71893924 0.0036112107 . . . . . . A 94 PRO HA . 34920 1 1027 . 1 . 1 94 94 PRO HB2 H 1 2.064744296 0.0036452007 . . . . . . A 94 PRO HB2 . 34920 1 1028 . 1 . 1 94 94 PRO HB3 H 1 1.61286141 0.0030283827 . . . . . . A 94 PRO HB3 . 34920 1 1029 . 1 . 1 94 94 PRO HG2 H 1 1.106866136 . . . . . . . A 94 PRO HG2 . 34920 1 1030 . 1 . 1 94 94 PRO HG3 H 1 1.425024831 . . . . . . . A 94 PRO HG3 . 34920 1 1031 . 1 . 1 94 94 PRO HD2 H 1 3.077081536 0.0074780345 . . . . . . A 94 PRO HD2 . 34920 1 1032 . 1 . 1 94 94 PRO HD3 H 1 3.689604492 0.0019985583 . . . . . . A 94 PRO HD3 . 34920 1 1033 . 1 . 1 94 94 PRO C C 13 175.5760964 0.0007339848 . . . . . . A 94 PRO C . 34920 1 1034 . 1 . 1 94 94 PRO CA C 13 64.58622673 0.0833000991 . . . . . . A 94 PRO CA . 34920 1 1035 . 1 . 1 94 94 PRO CB C 13 32.98311239 0.2115079523 . . . . . . A 94 PRO CB . 34920 1 1036 . 1 . 1 94 94 PRO CG C 13 26.13753813 0.1971400777 . . . . . . A 94 PRO CG . 34920 1 1037 . 1 . 1 94 94 PRO CD C 13 49.78095553 0.0501331436 . . . . . . A 94 PRO CD . 34920 1 1038 . 1 . 1 95 95 ASN H H 1 8.638106612 0.0028944888 . . . . . . A 95 ASN H . 34920 1 1039 . 1 . 1 95 95 ASN HA H 1 4.600341586 0.0037826822 . . . . . . A 95 ASN HA . 34920 1 1040 . 1 . 1 95 95 ASN HB2 H 1 2.248837652 0.0070567106 . . . . . . A 95 ASN HB2 . 34920 1 1041 . 1 . 1 95 95 ASN HB3 H 1 2.890383003 0.0058510712 . . . . . . A 95 ASN HB3 . 34920 1 1042 . 1 . 1 95 95 ASN HD21 H 1 7.29380824 0.0037542513 . . . . . . A 95 ASN HD21 . 34920 1 1043 . 1 . 1 95 95 ASN HD22 H 1 7.936022951 0.0032531474 . . . . . . A 95 ASN HD22 . 34920 1 1044 . 1 . 1 95 95 ASN C C 13 172.2257263 . . . . . . . A 95 ASN C . 34920 1 1045 . 1 . 1 95 95 ASN CA C 13 53.42360434 0.0393708989 . . . . . . A 95 ASN CA . 34920 1 1046 . 1 . 1 95 95 ASN CB C 13 39.69843662 0.0506044757 . . . . . . A 95 ASN CB . 34920 1 1047 . 1 . 1 95 95 ASN CG C 13 177.6399106 0.0148512668 . . . . . . A 95 ASN CG . 34920 1 1048 . 1 . 1 95 95 ASN N N 15 120.9225381 0.0619760532 . . . . . . A 95 ASN N . 34920 1 1049 . 1 . 1 95 95 ASN ND2 N 15 117.3674498 0.149717788 . . . . . . A 95 ASN ND2 . 34920 1 1050 . 1 . 1 96 96 ALA H H 1 8.402068507 0.0019866128 . . . . . . A 96 ALA H . 34920 1 1051 . 1 . 1 96 96 ALA HA H 1 4.976501924 0.0028721893 . . . . . . A 96 ALA HA . 34920 1 1052 . 1 . 1 96 96 ALA HB1 H 1 1.242844259 0.0012794479 . . . . . . A 96 ALA HB1 . 34920 1 1053 . 1 . 1 96 96 ALA HB2 H 1 1.242844259 0.0012794479 . . . . . . A 96 ALA HB2 . 34920 1 1054 . 1 . 1 96 96 ALA HB3 H 1 1.242844259 0.0012794479 . . . . . . A 96 ALA HB3 . 34920 1 1055 . 1 . 1 96 96 ALA CA C 13 52.22422836 0.08216959 . . . . . . A 96 ALA CA . 34920 1 1056 . 1 . 1 96 96 ALA CB C 13 20.35841401 0.0294500686 . . . . . . A 96 ALA CB . 34920 1 1057 . 1 . 1 96 96 ALA N N 15 126.3411919 0.0175187314 . . . . . . A 96 ALA N . 34920 1 1058 . 1 . 1 97 97 TYR H H 1 8.796162617 0.0031641037 . . . . . . A 97 TYR H . 34920 1 1059 . 1 . 1 97 97 TYR HA H 1 4.574319861 0.0025156072 . . . . . . A 97 TYR HA . 34920 1 1060 . 1 . 1 97 97 TYR HB2 H 1 2.545840547 0.0058433042 . . . . . . A 97 TYR HB2 . 34920 1 1061 . 1 . 1 97 97 TYR HB3 H 1 2.720691805 0.0086737818 . . . . . . A 97 TYR HB3 . 34920 1 1062 . 1 . 1 97 97 TYR HD1 H 1 6.905618307 0.0061444055 . . . . . . A 97 TYR HD1 . 34920 1 1063 . 1 . 1 97 97 TYR HD2 H 1 6.905618307 0.0061444055 . . . . . . A 97 TYR HD2 . 34920 1 1064 . 1 . 1 97 97 TYR HE1 H 1 6.597994125 0.0059562221 . . . . . . A 97 TYR HE1 . 34920 1 1065 . 1 . 1 97 97 TYR HE2 H 1 6.597994125 0.0059562221 . . . . . . A 97 TYR HE2 . 34920 1 1066 . 1 . 1 97 97 TYR C C 13 177.1445114 0.0023990109 . . . . . . A 97 TYR C . 34920 1 1067 . 1 . 1 97 97 TYR CA C 13 57.10302074 0.0840461077 . . . . . . A 97 TYR CA . 34920 1 1068 . 1 . 1 97 97 TYR CB C 13 40.39104786 0.1838364524 . . . . . . A 97 TYR CB . 34920 1 1069 . 1 . 1 97 97 TYR CD1 C 13 133.9580278 0.0797146321 . . . . . . A 97 TYR CD1 . 34920 1 1070 . 1 . 1 97 97 TYR CD2 C 13 133.9580278 0.0797146321 . . . . . . A 97 TYR CD2 . 34920 1 1071 . 1 . 1 97 97 TYR CE1 C 13 117.7345227 0.0806715139 . . . . . . A 97 TYR CE1 . 34920 1 1072 . 1 . 1 97 97 TYR CE2 C 13 117.7345227 0.0806715139 . . . . . . A 97 TYR CE2 . 34920 1 1073 . 1 . 1 97 97 TYR N N 15 120.8434477 0.0395665766 . . . . . . A 97 TYR N . 34920 1 1074 . 1 . 1 98 98 TYR H H 1 9.567488212 0.0046056886 . . . . . . A 98 TYR H . 34920 1 1075 . 1 . 1 98 98 TYR HA H 1 4.30621905 0.0027757294 . . . . . . A 98 TYR HA . 34920 1 1076 . 1 . 1 98 98 TYR HB2 H 1 3.312620564 0.0074613034 . . . . . . A 98 TYR HB2 . 34920 1 1077 . 1 . 1 98 98 TYR HB3 H 1 3.312620564 0.0074613034 . . . . . . A 98 TYR HB3 . 34920 1 1078 . 1 . 1 98 98 TYR HD1 H 1 7.201091737 0.0031912542 . . . . . . A 98 TYR HD1 . 34920 1 1079 . 1 . 1 98 98 TYR HD2 H 1 7.201091737 0.0031912542 . . . . . . A 98 TYR HD2 . 34920 1 1080 . 1 . 1 98 98 TYR HE1 H 1 6.942764286 0.0067237772 . . . . . . A 98 TYR HE1 . 34920 1 1081 . 1 . 1 98 98 TYR HE2 H 1 6.942764286 0.0067237772 . . . . . . A 98 TYR HE2 . 34920 1 1082 . 1 . 1 98 98 TYR C C 13 177.3609347 0.0031492024 . . . . . . A 98 TYR C . 34920 1 1083 . 1 . 1 98 98 TYR CA C 13 59.21954929 0.1370186953 . . . . . . A 98 TYR CA . 34920 1 1084 . 1 . 1 98 98 TYR CB C 13 35.71892142 0.0669447128 . . . . . . A 98 TYR CB . 34920 1 1085 . 1 . 1 98 98 TYR CD1 C 13 133.2871437 0.0385617745 . . . . . . A 98 TYR CD1 . 34920 1 1086 . 1 . 1 98 98 TYR CD2 C 13 133.2871437 0.0385617745 . . . . . . A 98 TYR CD2 . 34920 1 1087 . 1 . 1 98 98 TYR CE1 C 13 118.2816008 0.0626138734 . . . . . . A 98 TYR CE1 . 34920 1 1088 . 1 . 1 98 98 TYR CE2 C 13 118.2816008 0.0626138734 . . . . . . A 98 TYR CE2 . 34920 1 1089 . 1 . 1 98 98 TYR N N 15 124.2258606 0.0353050417 . . . . . . A 98 TYR N . 34920 1 1090 . 1 . 1 99 99 ASP H H 1 9.028716734 0.0029274833 . . . . . . A 99 ASP H . 34920 1 1091 . 1 . 1 99 99 ASP HA H 1 4.281351689 0.0057775242 . . . . . . A 99 ASP HA . 34920 1 1092 . 1 . 1 99 99 ASP HB2 H 1 3.010216533 0.0037877946 . . . . . . A 99 ASP HB2 . 34920 1 1093 . 1 . 1 99 99 ASP HB3 H 1 3.010216533 0.0037877946 . . . . . . A 99 ASP HB3 . 34920 1 1094 . 1 . 1 99 99 ASP C C 13 175.0005597 0.0032064397 . . . . . . A 99 ASP C . 34920 1 1095 . 1 . 1 99 99 ASP CA C 13 55.93114786 0.0881751981 . . . . . . A 99 ASP CA . 34920 1 1096 . 1 . 1 99 99 ASP CB C 13 39.7606194 0.1100416287 . . . . . . A 99 ASP CB . 34920 1 1097 . 1 . 1 99 99 ASP N N 15 112.6548262 0.0287658664 . . . . . . A 99 ASP N . 34920 1 1098 . 1 . 1 100 100 GLY H H 1 7.548148845 0.0032247851 . . . . . . A 100 GLY H . 34920 1 1099 . 1 . 1 100 100 GLY HA2 H 1 3.380908354 0.0056407485 . . . . . . A 100 GLY HA2 . 34920 1 1100 . 1 . 1 100 100 GLY HA3 H 1 4.122093883 0.0060907896 . . . . . . A 100 GLY HA3 . 34920 1 1101 . 1 . 1 100 100 GLY C C 13 173.8178829 0.0025214824 . . . . . . A 100 GLY C . 34920 1 1102 . 1 . 1 100 100 GLY CA C 13 45.53991211 0.1264977675 . . . . . . A 100 GLY CA . 34920 1 1103 . 1 . 1 100 100 GLY N N 15 102.2934035 0.0159173416 . . . . . . A 100 GLY N . 34920 1 1104 . 1 . 1 101 101 VAL H H 1 7.416713794 0.0024230897 . . . . . . A 101 VAL H . 34920 1 1105 . 1 . 1 101 101 VAL HA H 1 3.763711153 0.0028120072 . . . . . . A 101 VAL HA . 34920 1 1106 . 1 . 1 101 101 VAL HB H 1 2.11025659 0.0091133263 . . . . . . A 101 VAL HB . 34920 1 1107 . 1 . 1 101 101 VAL HG11 H 1 0.6235025637 0.0034702322 . . . . . . A 101 VAL HG11 . 34920 1 1108 . 1 . 1 101 101 VAL HG12 H 1 0.6235025637 0.0034702322 . . . . . . A 101 VAL HG12 . 34920 1 1109 . 1 . 1 101 101 VAL HG13 H 1 0.6235025637 0.0034702322 . . . . . . A 101 VAL HG13 . 34920 1 1110 . 1 . 1 101 101 VAL HG21 H 1 1.330817831 0.002369022 . . . . . . A 101 VAL HG21 . 34920 1 1111 . 1 . 1 101 101 VAL HG22 H 1 1.330817831 0.002369022 . . . . . . A 101 VAL HG22 . 34920 1 1112 . 1 . 1 101 101 VAL HG23 H 1 1.330817831 0.002369022 . . . . . . A 101 VAL HG23 . 34920 1 1113 . 1 . 1 101 101 VAL C C 13 176.3948136 0.0028649773 . . . . . . A 101 VAL C . 34920 1 1114 . 1 . 1 101 101 VAL CA C 13 66.01053986 0.0542516795 . . . . . . A 101 VAL CA . 34920 1 1115 . 1 . 1 101 101 VAL CB C 13 33.59727584 0.1346648808 . . . . . . A 101 VAL CB . 34920 1 1116 . 1 . 1 101 101 VAL CG1 C 13 22.6890969 0.0883165732 . . . . . . A 101 VAL CG1 . 34920 1 1117 . 1 . 1 101 101 VAL CG2 C 13 24.61868409 0.1328101834 . . . . . . A 101 VAL CG2 . 34920 1 1118 . 1 . 1 101 101 VAL N N 15 122.5313097 0.0068782028 . . . . . . A 101 VAL N . 34920 1 1119 . 1 . 1 102 102 PHE H H 1 7.887998267 0.0042074402 . . . . . . A 102 PHE H . 34920 1 1120 . 1 . 1 102 102 PHE HA H 1 4.931454782 0.0047891888 . . . . . . A 102 PHE HA . 34920 1 1121 . 1 . 1 102 102 PHE HB2 H 1 1.966254943 0.0016014902 . . . . . . A 102 PHE HB2 . 34920 1 1122 . 1 . 1 102 102 PHE HB3 H 1 2.113989303 0.0049305163 . . . . . . A 102 PHE HB3 . 34920 1 1123 . 1 . 1 102 102 PHE HD1 H 1 7.028357875 . . . . . . . A 102 PHE HD1 . 34920 1 1124 . 1 . 1 102 102 PHE HD2 H 1 7.028357875 . . . . . . . A 102 PHE HD2 . 34920 1 1125 . 1 . 1 102 102 PHE C C 13 174.8160534 0.0130806912 . . . . . . A 102 PHE C . 34920 1 1126 . 1 . 1 102 102 PHE CA C 13 56.77957442 0.0408143331 . . . . . . A 102 PHE CA . 34920 1 1127 . 1 . 1 102 102 PHE CB C 13 42.72189669 0.0366129527 . . . . . . A 102 PHE CB . 34920 1 1128 . 1 . 1 102 102 PHE N N 15 111.6495374 0.0428027808 . . . . . . A 102 PHE N . 34920 1 1129 . 1 . 1 103 103 CYS H H 1 7.775204982 0.0033442514 . . . . . . A 103 CYS H . 34920 1 1130 . 1 . 1 103 103 CYS HA H 1 5.689961609 0.0051689775 . . . . . . A 103 CYS HA . 34920 1 1131 . 1 . 1 103 103 CYS HB2 H 1 2.251473829 0.0081653897 . . . . . . A 103 CYS HB2 . 34920 1 1132 . 1 . 1 103 103 CYS HB3 H 1 3.965198178 0.009167681 . . . . . . A 103 CYS HB3 . 34920 1 1133 . 1 . 1 103 103 CYS C C 13 173.6406123 0.0031817159 . . . . . . A 103 CYS C . 34920 1 1134 . 1 . 1 103 103 CYS CA C 13 52.73940469 0.071738541 . . . . . . A 103 CYS CA . 34920 1 1135 . 1 . 1 103 103 CYS CB C 13 41.3250171 0.0611233894 . . . . . . A 103 CYS CB . 34920 1 1136 . 1 . 1 103 103 CYS N N 15 119.4414529 0.0905122287 . . . . . . A 103 CYS N . 34920 1 1137 . 1 . 1 104 104 GLY H H 1 9.434045591 0.0041629545 . . . . . . A 104 GLY H . 34920 1 1138 . 1 . 1 104 104 GLY HA2 H 1 3.505624113 0.0102844009 . . . . . . A 104 GLY HA2 . 34920 1 1139 . 1 . 1 104 104 GLY HA3 H 1 4.346016589 0.0080468028 . . . . . . A 104 GLY HA3 . 34920 1 1140 . 1 . 1 104 104 GLY C C 13 176.7079771 . . . . . . . A 104 GLY C . 34920 1 1141 . 1 . 1 104 104 GLY CA C 13 46.3765264 0.1076664272 . . . . . . A 104 GLY CA . 34920 1 1142 . 1 . 1 104 104 GLY N N 15 117.0549435 0.0100557758 . . . . . . A 104 GLY N . 34920 1 stop_ save_