data_15036 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15036 _Entry.Title ; SOLUTION STRUCTURE OF HUMAN BETA-MICROSEMINOPROTEIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-17 _Entry.Accession_date 2006-11-17 _Entry.Last_release_date 2015-07-23 _Entry.Original_release_date 2015-07-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1.1.81 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Ghasriani H. . . 15036 2 K. Teilum K. . . 15036 3 Y. Johnsson Y. . . 15036 4 P. Fernlund P. . . 15036 5 T. Drakenberg T. . . 15036 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15036 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NONE NONE 15036 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15036 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 354 15036 '15N chemical shifts' 98 15036 '1H chemical shifts' 591 15036 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-25 2006-11-17 update BMRB 'update entity name' 15036 1 . . 2007-01-10 2006-11-17 original author 'original release' 15036 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15036 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16930619 _Citation.Full_citation . _Citation.Title ; Solution structure of human and porcine beta-microseminoprotein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 362 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 502 _Citation.Page_last 515 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Houman Ghasriani H. . . 15036 1 2 Kaare Teilum K. . . 15036 1 3 Ylva Johnsson Y. . . 15036 1 4 Per Fernlund P. . . 15036 1 5 Torbjorn Drakenberg T. . . 15036 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15036 _Assembly.ID 1 _Assembly.Name beta-microseminoprotein _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 hMSP 1 $entity A . yes native no no . . . 15036 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide 1 . 1 hMSP 1 CYS 5 5 SG . 1 hMSP 1 CYS 53 53 SG . hMSP 5 cys SG . hMSP 53 cys SG 15036 1 2 disulfide 1 . 1 hMSP 1 CYS 21 21 SG . 1 hMSP 1 CYS 45 45 SG . hMSP 21 cys SG . hMSP 45 cys SG 15036 1 3 disulfide 1 . 1 hMSP 1 CYS 40 40 SG . 1 hMSP 1 CYS 76 76 SG . hMSP 40 cys SG . hMSP 76 cys SG 15036 1 4 disulfide 1 . 1 hMSP 1 CYS 43 43 SG . 1 hMSP 1 CYS 52 52 SG . hMSP 43 cys SG . hMSP 52 cys SG 15036 1 5 disulfide 1 . 1 hMSP 1 CYS 67 67 SG . 1 hMSP 1 CYS 90 90 SG . hMSP 67 cys SG . hMSP 90 cys SG 15036 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15036 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hMSP _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 ; GGGSCYFIPNEGVPGDSTRK CMDLKGNKHPINSEWQTDNC ETCTCYETEISCCTLVSTPV GYDKDNCQRIFKKEDCKYIV VEKKDPKKTCSVSEWII ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _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 'Three extra glycine residues on the N-terminus.' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15037 . hMSP . . . . . 96.91 94 98.94 98.94 1.68e-59 . . . . 15036 1 2 no PDB 2IZ3 . "Solution Structure Of Human And Porcine Beta- Microseminoprotein" . . . . . 100.00 97 100.00 100.00 8.18e-63 . . . . 15036 1 3 no PDB 3IX0 . "Crystal Structure Of Human Seminal Plasma Protein Psp94" . . . . . 96.91 94 100.00 100.00 3.14e-60 . . . . 15036 1 4 no EMBL CAA41002 . "prostatic secretory protein (PSP-94) [Homo sapiens]" . . . . . 98.97 114 97.92 97.92 2.88e-61 . . . . 15036 1 5 no EMBL CAB39325 . "beta-microseminoprotein [Homo sapiens]" . . . . . 54.64 71 98.11 98.11 1.47e-29 . . . . 15036 1 6 no EMBL CAG33296 . "MSMB [Homo sapiens]" . . . . . 98.97 114 97.92 97.92 2.88e-61 . . . . 15036 1 7 no GB AAA36635 . "seminal plasma protein precursor [Homo sapiens]" . . . . . 98.97 114 97.92 97.92 2.88e-61 . . . . 15036 1 8 no GB AAA59871 . "beta-microseminoprotein [Homo sapiens]" . . . . . 98.97 114 97.92 97.92 2.88e-61 . . . . 15036 1 9 no GB AAB29732 . "prostate secretory protein [Homo sapiens]" . . . . . 98.97 114 97.92 97.92 2.88e-61 . . . . 15036 1 10 no GB AAB37355 . "prostatic secretory protein 94 [Homo sapiens]" . . . . . 98.97 114 97.92 97.92 2.88e-61 . . . . 15036 1 11 no GB AAH05257 . "Microseminoprotein, beta- [Homo sapiens]" . . . . . 98.97 114 97.92 97.92 2.88e-61 . . . . 15036 1 12 no PRF 1209281A . "microseminoprotein beta" . . . . . 95.88 93 97.85 97.85 9.84e-58 . . . . 15036 1 13 no REF NP_002434 . "beta-microseminoprotein isoform a precursor [Homo sapiens]" . . . . . 98.97 114 97.92 97.92 2.88e-61 . . . . 15036 1 14 no SP P08118 . "RecName: Full=Beta-microseminoprotein; AltName: Full=Immunoglobulin-binding factor; Short=IGBF; AltName: Full=PN44; AltName: Fu" . . . . . 98.97 114 97.92 97.92 2.88e-61 . . . . 15036 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Unknown 15036 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 . GLY . 15036 1 2 . GLY . 15036 1 3 . GLY . 15036 1 4 . SER . 15036 1 5 . CYS . 15036 1 6 . TYR . 15036 1 7 . PHE . 15036 1 8 . ILE . 15036 1 9 . PRO . 15036 1 10 . ASN . 15036 1 11 . GLU . 15036 1 12 . GLY . 15036 1 13 . VAL . 15036 1 14 . PRO . 15036 1 15 . GLY . 15036 1 16 . ASP . 15036 1 17 . SER . 15036 1 18 . THR . 15036 1 19 . ARG . 15036 1 20 . LYS . 15036 1 21 . CYS . 15036 1 22 . MET . 15036 1 23 . ASP . 15036 1 24 . LEU . 15036 1 25 . LYS . 15036 1 26 . GLY . 15036 1 27 . ASN . 15036 1 28 . LYS . 15036 1 29 . HIS . 15036 1 30 . PRO . 15036 1 31 . ILE . 15036 1 32 . ASN . 15036 1 33 . SER . 15036 1 34 . GLU . 15036 1 35 . TRP . 15036 1 36 . GLN . 15036 1 37 . THR . 15036 1 38 . ASP . 15036 1 39 . ASN . 15036 1 40 . CYS . 15036 1 41 . GLU . 15036 1 42 . THR . 15036 1 43 . CYS . 15036 1 44 . THR . 15036 1 45 . CYS . 15036 1 46 . TYR . 15036 1 47 . GLU . 15036 1 48 . THR . 15036 1 49 . GLU . 15036 1 50 . ILE . 15036 1 51 . SER . 15036 1 52 . CYS . 15036 1 53 . CYS . 15036 1 54 . THR . 15036 1 55 . LEU . 15036 1 56 . VAL . 15036 1 57 . SER . 15036 1 58 . THR . 15036 1 59 . PRO . 15036 1 60 . VAL . 15036 1 61 . GLY . 15036 1 62 . TYR . 15036 1 63 . ASP . 15036 1 64 . LYS . 15036 1 65 . ASP . 15036 1 66 . ASN . 15036 1 67 . CYS . 15036 1 68 . GLN . 15036 1 69 . ARG . 15036 1 70 . ILE . 15036 1 71 . PHE . 15036 1 72 . LYS . 15036 1 73 . LYS . 15036 1 74 . GLU . 15036 1 75 . ASP . 15036 1 76 . CYS . 15036 1 77 . LYS . 15036 1 78 . TYR . 15036 1 79 . ILE . 15036 1 80 . VAL . 15036 1 81 . VAL . 15036 1 82 . GLU . 15036 1 83 . LYS . 15036 1 84 . LYS . 15036 1 85 . ASP . 15036 1 86 . PRO . 15036 1 87 . LYS . 15036 1 88 . LYS . 15036 1 89 . THR . 15036 1 90 . CYS . 15036 1 91 . SER . 15036 1 92 . VAL . 15036 1 93 . SER . 15036 1 94 . GLU . 15036 1 95 . TRP . 15036 1 96 . ILE . 15036 1 97 . ILE . 15036 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15036 1 . GLY 2 2 15036 1 . GLY 3 3 15036 1 . SER 4 4 15036 1 . CYS 5 5 15036 1 . TYR 6 6 15036 1 . PHE 7 7 15036 1 . ILE 8 8 15036 1 . PRO 9 9 15036 1 . ASN 10 10 15036 1 . GLU 11 11 15036 1 . GLY 12 12 15036 1 . VAL 13 13 15036 1 . PRO 14 14 15036 1 . GLY 15 15 15036 1 . ASP 16 16 15036 1 . SER 17 17 15036 1 . THR 18 18 15036 1 . ARG 19 19 15036 1 . LYS 20 20 15036 1 . CYS 21 21 15036 1 . MET 22 22 15036 1 . ASP 23 23 15036 1 . LEU 24 24 15036 1 . LYS 25 25 15036 1 . GLY 26 26 15036 1 . ASN 27 27 15036 1 . LYS 28 28 15036 1 . HIS 29 29 15036 1 . PRO 30 30 15036 1 . ILE 31 31 15036 1 . ASN 32 32 15036 1 . SER 33 33 15036 1 . GLU 34 34 15036 1 . TRP 35 35 15036 1 . GLN 36 36 15036 1 . THR 37 37 15036 1 . ASP 38 38 15036 1 . ASN 39 39 15036 1 . CYS 40 40 15036 1 . GLU 41 41 15036 1 . THR 42 42 15036 1 . CYS 43 43 15036 1 . THR 44 44 15036 1 . CYS 45 45 15036 1 . TYR 46 46 15036 1 . GLU 47 47 15036 1 . THR 48 48 15036 1 . GLU 49 49 15036 1 . ILE 50 50 15036 1 . SER 51 51 15036 1 . CYS 52 52 15036 1 . CYS 53 53 15036 1 . THR 54 54 15036 1 . LEU 55 55 15036 1 . VAL 56 56 15036 1 . SER 57 57 15036 1 . THR 58 58 15036 1 . PRO 59 59 15036 1 . VAL 60 60 15036 1 . GLY 61 61 15036 1 . TYR 62 62 15036 1 . ASP 63 63 15036 1 . LYS 64 64 15036 1 . ASP 65 65 15036 1 . ASN 66 66 15036 1 . CYS 67 67 15036 1 . GLN 68 68 15036 1 . ARG 69 69 15036 1 . ILE 70 70 15036 1 . PHE 71 71 15036 1 . LYS 72 72 15036 1 . LYS 73 73 15036 1 . GLU 74 74 15036 1 . ASP 75 75 15036 1 . CYS 76 76 15036 1 . LYS 77 77 15036 1 . TYR 78 78 15036 1 . ILE 79 79 15036 1 . VAL 80 80 15036 1 . VAL 81 81 15036 1 . GLU 82 82 15036 1 . LYS 83 83 15036 1 . LYS 84 84 15036 1 . ASP 85 85 15036 1 . PRO 86 86 15036 1 . LYS 87 87 15036 1 . LYS 88 88 15036 1 . THR 89 89 15036 1 . CYS 90 90 15036 1 . SER 91 91 15036 1 . VAL 92 92 15036 1 . SER 93 93 15036 1 . GLU 94 94 15036 1 . TRP 95 95 15036 1 . ILE 96 96 15036 1 . ILE 97 97 15036 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 15036 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 15036 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 15036 _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 . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . 'pET30 Xa/LIC' . . . 15036 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15036 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '90% WATER/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 entity '[U-95% 13C; U-95% 15N]' . . 1 $entity . . . 3.4 4.2 mM . . . . 15036 1 2 H20 . . . . . . . 90 . . % . . . . 15036 1 3 D20 . . . . . . . 10 . . % . . . . 15036 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15036 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 entity '[U-95% 13C; U-95% 15N]' . . 1 $entity . . . 3.4 4.2 mM . . . . 15036 2 2 D20 . . . . . . . 100 . . % . . . . 15036 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 15036 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 1 . mM 15036 1 pH 6.0 . pH 15036 1 pressure 1 . atm 15036 1 temperature 310.0 . K 15036 1 stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 15036 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CLORE . . 15036 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15036 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15036 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITYINOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15036 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 VARIAN UNITYINOVA . 600 . . . 15036 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 15036 _Experiment_list.ID 1 _Experiment_list.Details 'NOE-RESTRAINTS WERE COLLECTED FROM 3D-15N-EDITED NOESY, 3D-13C-EDITED NOESY AND 2D NOESY SPECTRA' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15036 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15036 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15036 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15036 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15036 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15036 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15036 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15036 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15036 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15036 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15036 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15036 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.00 . . . 1 $entry_citation . . 1 $entry_citation 15036 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15036 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15036 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15036 1 2 '2D 1H-13C HSQC' . . . 15036 1 3 '3D CBCA(CO)NH' . . . 15036 1 4 '3D HNCO' . . . 15036 1 5 '3D HNCA' . . . 15036 1 6 '3D HBHA(CO)NH' . . . 15036 1 8 '3D HCCH-TOCSY' . . . 15036 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY C C 13 174.337 0.10 . 1 . . . . 2 GLY C . 15036 1 2 . 1 1 2 2 GLY CA C 13 45.466 0.10 . 1 . . . . 2 GLY CA . 15036 1 3 . 1 1 3 3 GLY H H 1 8.440 0.02 . 1 . . . . 3 GLY H . 15036 1 4 . 1 1 3 3 GLY HA2 H 1 4.116 0.02 . 2 . . . . 3 GLY HA2 . 15036 1 5 . 1 1 3 3 GLY HA3 H 1 4.071 0.02 . 2 . . . . 3 GLY HA3 . 15036 1 6 . 1 1 3 3 GLY C C 13 174.256 0.10 . 1 . . . . 3 GLY C . 15036 1 7 . 1 1 3 3 GLY CA C 13 45.465 0.10 . 1 . . . . 3 GLY CA . 15036 1 8 . 1 1 3 3 GLY N N 15 109.605 0.10 . 1 . . . . 3 GLY N . 15036 1 9 . 1 1 4 4 SER H H 1 8.418 0.02 . 1 . . . . 4 SER H . 15036 1 10 . 1 1 4 4 SER HA H 1 4.578 0.02 . 1 . . . . 4 SER HA . 15036 1 11 . 1 1 4 4 SER HB2 H 1 3.997 0.02 . 2 . . . . 4 SER HB2 . 15036 1 12 . 1 1 4 4 SER HB3 H 1 3.970 0.02 . 2 . . . . 4 SER HB3 . 15036 1 13 . 1 1 4 4 SER C C 13 174.651 0.10 . 1 . . . . 4 SER C . 15036 1 14 . 1 1 4 4 SER CA C 13 58.699 0.20 . 1 . . . . 4 SER CA . 15036 1 15 . 1 1 4 4 SER CB C 13 63.664 0.20 . 1 . . . . 4 SER CB . 15036 1 16 . 1 1 4 4 SER N N 15 117.305 0.10 . 1 . . . . 4 SER N . 15036 1 17 . 1 1 5 5 CYS H H 1 8.159 0.02 . 1 . . . . 5 CYS H . 15036 1 18 . 1 1 5 5 CYS HA H 1 5.624 0.02 . 1 . . . . 5 CYS HA . 15036 1 19 . 1 1 5 5 CYS HB2 H 1 2.874 0.02 . 2 . . . . 5 CYS HB2 . 15036 1 20 . 1 1 5 5 CYS HB3 H 1 2.564 0.02 . 2 . . . . 5 CYS HB3 . 15036 1 21 . 1 1 5 5 CYS C C 13 173.310 0.10 . 1 . . . . 5 CYS C . 15036 1 22 . 1 1 5 5 CYS CA C 13 56.048 0.10 . 1 . . . . 5 CYS CA . 15036 1 23 . 1 1 5 5 CYS CB C 13 48.609 0.20 . 1 . . . . 5 CYS CB . 15036 1 24 . 1 1 5 5 CYS N N 15 121.457 0.10 . 1 . . . . 5 CYS N . 15036 1 25 . 1 1 6 6 TYR H H 1 8.771 0.02 . 1 . . . . 6 TYR H . 15036 1 26 . 1 1 6 6 TYR HA H 1 4.853 0.02 . 1 . . . . 6 TYR HA . 15036 1 27 . 1 1 6 6 TYR HB2 H 1 3.068 0.02 . 2 . . . . 6 TYR HB2 . 15036 1 28 . 1 1 6 6 TYR HB3 H 1 2.875 0.02 . 2 . . . . 6 TYR HB3 . 15036 1 29 . 1 1 6 6 TYR HD1 H 1 6.874 0.02 . 3 . . . . 6 TYR HD1 . 15036 1 30 . 1 1 6 6 TYR HE1 H 1 6.648 0.02 . 3 . . . . 6 TYR HE1 . 15036 1 31 . 1 1 6 6 TYR C C 13 172.645 0.10 . 1 . . . . 6 TYR C . 15036 1 32 . 1 1 6 6 TYR CA C 13 56.070 0.10 . 1 . . . . 6 TYR CA . 15036 1 33 . 1 1 6 6 TYR CB C 13 40.606 0.10 . 1 . . . . 6 TYR CB . 15036 1 34 . 1 1 6 6 TYR N N 15 119.834 0.10 . 1 . . . . 6 TYR N . 15036 1 35 . 1 1 7 7 PHE H H 1 7.208 0.02 . 1 . . . . 7 PHE H . 15036 1 36 . 1 1 7 7 PHE HA H 1 5.764 0.02 . 1 . . . . 7 PHE HA . 15036 1 37 . 1 1 7 7 PHE HB2 H 1 2.990 0.02 . 2 . . . . 7 PHE HB2 . 15036 1 38 . 1 1 7 7 PHE HB3 H 1 2.870 0.02 . 2 . . . . 7 PHE HB3 . 15036 1 39 . 1 1 7 7 PHE HD1 H 1 7.121 0.02 . 3 . . . . 7 PHE HD1 . 15036 1 40 . 1 1 7 7 PHE HE1 H 1 7.237 0.02 . 3 . . . . 7 PHE HE1 . 15036 1 41 . 1 1 7 7 PHE HZ H 1 7.208 0.02 . 1 . . . . 7 PHE HZ . 15036 1 42 . 1 1 7 7 PHE C C 13 176.093 0.10 . 1 . . . . 7 PHE C . 15036 1 43 . 1 1 7 7 PHE CA C 13 56.218 0.20 . 1 . . . . 7 PHE CA . 15036 1 44 . 1 1 7 7 PHE CB C 13 42.566 0.20 . 1 . . . . 7 PHE CB . 15036 1 45 . 1 1 7 7 PHE N N 15 118.442 0.10 . 1 . . . . 7 PHE N . 15036 1 46 . 1 1 8 8 ILE H H 1 9.217 0.02 . 1 . . . . 8 ILE H . 15036 1 47 . 1 1 8 8 ILE HA H 1 4.855 0.02 . 1 . . . . 8 ILE HA . 15036 1 48 . 1 1 8 8 ILE HB H 1 2.008 0.02 . 1 . . . . 8 ILE HB . 15036 1 49 . 1 1 8 8 ILE HG12 H 1 1.656 0.02 . 2 . . . . 8 ILE HG12 . 15036 1 50 . 1 1 8 8 ILE HG13 H 1 1.275 0.02 . 2 . . . . 8 ILE HG13 . 15036 1 51 . 1 1 8 8 ILE HG21 H 1 1.163 0.02 . 1 . . . . 8 ILE HG2 . 15036 1 52 . 1 1 8 8 ILE HG22 H 1 1.163 0.02 . 1 . . . . 8 ILE HG2 . 15036 1 53 . 1 1 8 8 ILE HG23 H 1 1.163 0.02 . 1 . . . . 8 ILE HG2 . 15036 1 54 . 1 1 8 8 ILE HD11 H 1 1.074 0.02 . 1 . . . . 8 ILE HD1 . 15036 1 55 . 1 1 8 8 ILE HD12 H 1 1.074 0.02 . 1 . . . . 8 ILE HD1 . 15036 1 56 . 1 1 8 8 ILE HD13 H 1 1.074 0.02 . 1 . . . . 8 ILE HD1 . 15036 1 57 . 1 1 8 8 ILE CA C 13 58.397 0.20 . 1 . . . . 8 ILE CA . 15036 1 58 . 1 1 8 8 ILE CB C 13 41.733 0.20 . 1 . . . . 8 ILE CB . 15036 1 59 . 1 1 8 8 ILE CG1 C 13 27.287 0.10 . 1 . . . . 8 ILE CG1 . 15036 1 60 . 1 1 8 8 ILE CG2 C 13 17.752 0.20 . 1 . . . . 8 ILE CG2 . 15036 1 61 . 1 1 8 8 ILE CD1 C 13 14.894 0.10 . 1 . . . . 8 ILE CD1 . 15036 1 62 . 1 1 8 8 ILE N N 15 123.489 0.10 . 1 . . . . 8 ILE N . 15036 1 63 . 1 1 9 9 PRO HA H 1 4.630 0.02 . 1 . . . . 9 PRO HA . 15036 1 64 . 1 1 9 9 PRO HB2 H 1 2.512 0.02 . 2 . . . . 9 PRO HB2 . 15036 1 65 . 1 1 9 9 PRO HB3 H 1 1.982 0.02 . 2 . . . . 9 PRO HB3 . 15036 1 66 . 1 1 9 9 PRO HG2 H 1 2.212 0.02 . 2 . . . . 9 PRO HG2 . 15036 1 67 . 1 1 9 9 PRO HG3 H 1 2.122 0.02 . 2 . . . . 9 PRO HG3 . 15036 1 68 . 1 1 9 9 PRO HD2 H 1 3.955 0.02 . 2 . . . . 9 PRO HD2 . 15036 1 69 . 1 1 9 9 PRO HD3 H 1 3.893 0.02 . 2 . . . . 9 PRO HD3 . 15036 1 70 . 1 1 9 9 PRO C C 13 176.562 0.10 . 1 . . . . 9 PRO C . 15036 1 71 . 1 1 9 9 PRO CA C 13 63.720 0.10 . 1 . . . . 9 PRO CA . 15036 1 72 . 1 1 9 9 PRO CB C 13 32.539 0.10 . 1 . . . . 9 PRO CB . 15036 1 73 . 1 1 9 9 PRO CG C 13 27.873 0.10 . 1 . . . . 9 PRO CG . 15036 1 74 . 1 1 9 9 PRO CD C 13 51.378 0.10 . 1 . . . . 9 PRO CD . 15036 1 75 . 1 1 10 10 ASN H H 1 8.009 0.02 . 1 . . . . 10 ASN H . 15036 1 76 . 1 1 10 10 ASN HA H 1 4.974 0.02 . 1 . . . . 10 ASN HA . 15036 1 77 . 1 1 10 10 ASN HB2 H 1 2.768 0.02 . 2 . . . . 10 ASN HB2 . 15036 1 78 . 1 1 10 10 ASN HB3 H 1 2.448 0.02 . 2 . . . . 10 ASN HB3 . 15036 1 79 . 1 1 10 10 ASN HD21 H 1 6.908 0.02 . 2 . . . . 10 ASN HD21 . 15036 1 80 . 1 1 10 10 ASN HD22 H 1 6.547 0.02 . 2 . . . . 10 ASN HD22 . 15036 1 81 . 1 1 10 10 ASN C C 13 175.191 0.10 . 1 . . . . 10 ASN C . 15036 1 82 . 1 1 10 10 ASN CA C 13 52.517 0.20 . 1 . . . . 10 ASN CA . 15036 1 83 . 1 1 10 10 ASN CB C 13 39.433 0.10 . 1 . . . . 10 ASN CB . 15036 1 84 . 1 1 10 10 ASN N N 15 121.390 0.10 . 1 . . . . 10 ASN N . 15036 1 85 . 1 1 10 10 ASN ND2 N 15 113.269 0.10 . 1 . . . . 10 ASN ND2 . 15036 1 86 . 1 1 11 11 GLU H H 1 8.549 0.02 . 1 . . . . 11 GLU H . 15036 1 87 . 1 1 11 11 GLU HA H 1 4.430 0.02 . 1 . . . . 11 GLU HA . 15036 1 88 . 1 1 11 11 GLU HB2 H 1 2.141 0.02 . 2 . . . . 11 GLU HB2 . 15036 1 89 . 1 1 11 11 GLU HB3 H 1 1.986 0.02 . 2 . . . . 11 GLU HB3 . 15036 1 90 . 1 1 11 11 GLU HG2 H 1 2.303 0.02 . 2 . . . . 11 GLU HG2 . 15036 1 91 . 1 1 11 11 GLU C C 13 176.788 0.10 . 1 . . . . 11 GLU C . 15036 1 92 . 1 1 11 11 GLU CA C 13 56.514 0.20 . 1 . . . . 11 GLU CA . 15036 1 93 . 1 1 11 11 GLU CB C 13 30.885 0.20 . 1 . . . . 11 GLU CB . 15036 1 94 . 1 1 11 11 GLU CG C 13 36.370 0.20 . 1 . . . . 11 GLU CG . 15036 1 95 . 1 1 11 11 GLU N N 15 124.065 0.10 . 1 . . . . 11 GLU N . 15036 1 96 . 1 1 12 12 GLY H H 1 8.306 0.02 . 1 . . . . 12 GLY H . 15036 1 97 . 1 1 12 12 GLY HA2 H 1 4.057 0.02 . 2 . . . . 12 GLY HA2 . 15036 1 98 . 1 1 12 12 GLY HA3 H 1 4.008 0.02 . 2 . . . . 12 GLY HA3 . 15036 1 99 . 1 1 12 12 GLY C C 13 173.473 0.10 . 1 . . . . 12 GLY C . 15036 1 100 . 1 1 12 12 GLY CA C 13 45.259 0.20 . 1 . . . . 12 GLY CA . 15036 1 101 . 1 1 12 12 GLY N N 15 110.245 0.10 . 1 . . . . 12 GLY N . 15036 1 102 . 1 1 13 13 VAL H H 1 8.252 0.02 . 1 . . . . 13 VAL H . 15036 1 103 . 1 1 13 13 VAL HA H 1 4.486 0.02 . 1 . . . . 13 VAL HA . 15036 1 104 . 1 1 13 13 VAL HB H 1 2.119 0.02 . 1 . . . . 13 VAL HB . 15036 1 105 . 1 1 13 13 VAL HG11 H 1 0.961 0.02 . 2 . . . . 13 VAL HG1 . 15036 1 106 . 1 1 13 13 VAL HG12 H 1 0.961 0.02 . 2 . . . . 13 VAL HG1 . 15036 1 107 . 1 1 13 13 VAL HG13 H 1 0.961 0.02 . 2 . . . . 13 VAL HG1 . 15036 1 108 . 1 1 13 13 VAL HG21 H 1 0.918 0.02 . 2 . . . . 13 VAL HG2 . 15036 1 109 . 1 1 13 13 VAL HG22 H 1 0.918 0.02 . 2 . . . . 13 VAL HG2 . 15036 1 110 . 1 1 13 13 VAL HG23 H 1 0.918 0.02 . 2 . . . . 13 VAL HG2 . 15036 1 111 . 1 1 13 13 VAL CA C 13 59.761 0.10 . 1 . . . . 13 VAL CA . 15036 1 112 . 1 1 13 13 VAL CB C 13 33.202 0.10 . 1 . . . . 13 VAL CB . 15036 1 113 . 1 1 13 13 VAL CG1 C 13 21.439 0.10 . 2 . . . . 13 VAL CG1 . 15036 1 114 . 1 1 13 13 VAL CG2 C 13 21.093 0.10 . 2 . . . . 13 VAL CG2 . 15036 1 115 . 1 1 13 13 VAL N N 15 121.470 0.10 . 1 . . . . 13 VAL N . 15036 1 116 . 1 1 14 14 PRO HA H 1 4.364 0.02 . 1 . . . . 14 PRO HA . 15036 1 117 . 1 1 14 14 PRO HB2 H 1 2.296 0.02 . 2 . . . . 14 PRO HB2 . 15036 1 118 . 1 1 14 14 PRO HB3 H 1 1.922 0.02 . 2 . . . . 14 PRO HB3 . 15036 1 119 . 1 1 14 14 PRO HG2 H 1 2.102 0.02 . 2 . . . . 14 PRO HG2 . 15036 1 120 . 1 1 14 14 PRO HG3 H 1 1.990 0.02 . 2 . . . . 14 PRO HG3 . 15036 1 121 . 1 1 14 14 PRO HD2 H 1 3.925 0.02 . 2 . . . . 14 PRO HD2 . 15036 1 122 . 1 1 14 14 PRO HD3 H 1 3.686 0.02 . 2 . . . . 14 PRO HD3 . 15036 1 123 . 1 1 14 14 PRO C C 13 177.867 0.10 . 1 . . . . 14 PRO C . 15036 1 124 . 1 1 14 14 PRO CA C 13 64.086 0.10 . 1 . . . . 14 PRO CA . 15036 1 125 . 1 1 14 14 PRO CB C 13 32.054 0.10 . 1 . . . . 14 PRO CB . 15036 1 126 . 1 1 14 14 PRO CG C 13 27.770 0.10 . 1 . . . . 14 PRO CG . 15036 1 127 . 1 1 14 14 PRO CD C 13 51.338 0.10 . 1 . . . . 14 PRO CD . 15036 1 128 . 1 1 15 15 GLY H H 1 8.592 0.02 . 1 . . . . 15 GLY H . 15036 1 129 . 1 1 15 15 GLY HA2 H 1 4.098 0.02 . 2 . . . . 15 GLY HA2 . 15036 1 130 . 1 1 15 15 GLY HA3 H 1 3.812 0.02 . 2 . . . . 15 GLY HA3 . 15036 1 131 . 1 1 15 15 GLY C C 13 174.009 0.10 . 1 . . . . 15 GLY C . 15036 1 132 . 1 1 15 15 GLY CA C 13 45.761 0.10 . 1 . . . . 15 GLY CA . 15036 1 133 . 1 1 15 15 GLY N N 15 111.307 0.10 . 1 . . . . 15 GLY N . 15036 1 134 . 1 1 16 16 ASP H H 1 7.870 0.02 . 1 . . . . 16 ASP H . 15036 1 135 . 1 1 16 16 ASP HA H 1 4.772 0.02 . 1 . . . . 16 ASP HA . 15036 1 136 . 1 1 16 16 ASP HB2 H 1 2.829 0.02 . 2 . . . . 16 ASP HB2 . 15036 1 137 . 1 1 16 16 ASP HB3 H 1 2.639 0.02 . 2 . . . . 16 ASP HB3 . 15036 1 138 . 1 1 16 16 ASP CA C 13 53.739 0.10 . 1 . . . . 16 ASP CA . 15036 1 139 . 1 1 16 16 ASP CB C 13 42.022 0.20 . 1 . . . . 16 ASP CB . 15036 1 140 . 1 1 16 16 ASP N N 15 121.211 0.10 . 1 . . . . 16 ASP N . 15036 1 141 . 1 1 17 17 SER H H 1 8.553 0.02 . 1 . . . . 17 SER H . 15036 1 142 . 1 1 17 17 SER HA H 1 4.403 0.02 . 1 . . . . 17 SER HA . 15036 1 143 . 1 1 17 17 SER HB2 H 1 4.005 0.02 . 2 . . . . 17 SER HB2 . 15036 1 144 . 1 1 17 17 SER HB3 H 1 3.932 0.02 . 2 . . . . 17 SER HB3 . 15036 1 145 . 1 1 17 17 SER C C 13 175.156 0.10 . 1 . . . . 17 SER C . 15036 1 146 . 1 1 17 17 SER CA C 13 59.683 0.10 . 1 . . . . 17 SER CA . 15036 1 147 . 1 1 17 17 SER CB C 13 63.718 0.10 . 1 . . . . 17 SER CB . 15036 1 148 . 1 1 17 17 SER N N 15 119.014 0.10 . 1 . . . . 17 SER N . 15036 1 149 . 1 1 18 18 THR H H 1 8.230 0.02 . 1 . . . . 18 THR H . 15036 1 150 . 1 1 18 18 THR HA H 1 4.345 0.02 . 1 . . . . 18 THR HA . 15036 1 151 . 1 1 18 18 THR HB H 1 4.219 0.02 . 1 . . . . 18 THR HB . 15036 1 152 . 1 1 18 18 THR HG21 H 1 1.231 0.02 . 1 . . . . 18 THR HG2 . 15036 1 153 . 1 1 18 18 THR HG22 H 1 1.231 0.02 . 1 . . . . 18 THR HG2 . 15036 1 154 . 1 1 18 18 THR HG23 H 1 1.231 0.02 . 1 . . . . 18 THR HG2 . 15036 1 155 . 1 1 18 18 THR C C 13 174.485 0.10 . 1 . . . . 18 THR C . 15036 1 156 . 1 1 18 18 THR CA C 13 62.339 0.20 . 1 . . . . 18 THR CA . 15036 1 157 . 1 1 18 18 THR CB C 13 69.966 0.10 . 1 . . . . 18 THR CB . 15036 1 158 . 1 1 18 18 THR CG2 C 13 22.225 0.30 . 1 . . . . 18 THR CG2 . 15036 1 159 . 1 1 18 18 THR N N 15 115.613 0.10 . 1 . . . . 18 THR N . 15036 1 160 . 1 1 19 19 ARG H H 1 8.214 0.02 . 1 . . . . 19 ARG H . 15036 1 161 . 1 1 19 19 ARG HA H 1 4.291 0.02 . 1 . . . . 19 ARG HA . 15036 1 162 . 1 1 19 19 ARG HB2 H 1 1.857 0.02 . 2 . . . . 19 ARG HB2 . 15036 1 163 . 1 1 19 19 ARG HG2 H 1 1.663 0.02 . 2 . . . . 19 ARG HG2 . 15036 1 164 . 1 1 19 19 ARG HG3 H 1 1.621 0.02 . 2 . . . . 19 ARG HG3 . 15036 1 165 . 1 1 19 19 ARG HD2 H 1 3.218 0.02 . 2 . . . . 19 ARG HD2 . 15036 1 166 . 1 1 19 19 ARG C C 13 174.958 0.10 . 1 . . . . 19 ARG C . 15036 1 167 . 1 1 19 19 ARG CA C 13 56.304 0.10 . 1 . . . . 19 ARG CA . 15036 1 168 . 1 1 19 19 ARG CB C 13 30.335 0.10 . 1 . . . . 19 ARG CB . 15036 1 169 . 1 1 19 19 ARG CG C 13 27.372 0.10 . 1 . . . . 19 ARG CG . 15036 1 170 . 1 1 19 19 ARG CD C 13 43.600 0.10 . 1 . . . . 19 ARG CD . 15036 1 171 . 1 1 19 19 ARG N N 15 123.565 0.10 . 1 . . . . 19 ARG N . 15036 1 172 . 1 1 20 20 LYS H H 1 7.834 0.02 . 1 . . . . 20 LYS H . 15036 1 173 . 1 1 20 20 LYS HA H 1 4.588 0.02 . 1 . . . . 20 LYS HA . 15036 1 174 . 1 1 20 20 LYS HB2 H 1 1.714 0.02 . 2 . . . . 20 LYS HB2 . 15036 1 175 . 1 1 20 20 LYS HB3 H 1 1.582 0.02 . 2 . . . . 20 LYS HB3 . 15036 1 176 . 1 1 20 20 LYS HG2 H 1 1.404 0.02 . 2 . . . . 20 LYS HG2 . 15036 1 177 . 1 1 20 20 LYS HD2 H 1 1.505 0.02 . 2 . . . . 20 LYS HD2 . 15036 1 178 . 1 1 20 20 LYS HD3 H 1 1.286 0.02 . 2 . . . . 20 LYS HD3 . 15036 1 179 . 1 1 20 20 LYS HE2 H 1 2.892 0.02 . 2 . . . . 20 LYS HE2 . 15036 1 180 . 1 1 20 20 LYS C C 13 176.092 0.10 . 1 . . . . 20 LYS C . 15036 1 181 . 1 1 20 20 LYS CA C 13 55.776 0.10 . 1 . . . . 20 LYS CA . 15036 1 182 . 1 1 20 20 LYS CB C 13 35.362 0.10 . 1 . . . . 20 LYS CB . 15036 1 183 . 1 1 20 20 LYS CG C 13 25.328 0.10 . 1 . . . . 20 LYS CG . 15036 1 184 . 1 1 20 20 LYS N N 15 120.589 0.10 . 1 . . . . 20 LYS N . 15036 1 185 . 1 1 21 21 CYS H H 1 8.831 0.02 . 1 . . . . 21 CYS H . 15036 1 186 . 1 1 21 21 CYS HA H 1 4.831 0.02 . 1 . . . . 21 CYS HA . 15036 1 187 . 1 1 21 21 CYS HB2 H 1 3.213 0.02 . 2 . . . . 21 CYS HB2 . 15036 1 188 . 1 1 21 21 CYS HB3 H 1 2.798 0.02 . 2 . . . . 21 CYS HB3 . 15036 1 189 . 1 1 21 21 CYS C C 13 173.620 0.10 . 1 . . . . 21 CYS C . 15036 1 190 . 1 1 21 21 CYS CA C 13 56.869 0.20 . 1 . . . . 21 CYS CA . 15036 1 191 . 1 1 21 21 CYS CB C 13 43.653 0.20 . 1 . . . . 21 CYS CB . 15036 1 192 . 1 1 21 21 CYS N N 15 116.938 0.10 . 1 . . . . 21 CYS N . 15036 1 193 . 1 1 22 22 MET H H 1 8.818 0.02 . 1 . . . . 22 MET H . 15036 1 194 . 1 1 22 22 MET HA H 1 5.019 0.02 . 1 . . . . 22 MET HA . 15036 1 195 . 1 1 22 22 MET HB2 H 1 2.047 0.02 . 2 . . . . 22 MET HB2 . 15036 1 196 . 1 1 22 22 MET HB3 H 1 1.781 0.02 . 2 . . . . 22 MET HB3 . 15036 1 197 . 1 1 22 22 MET HG2 H 1 2.559 0.02 . 2 . . . . 22 MET HG2 . 15036 1 198 . 1 1 22 22 MET HG3 H 1 2.241 0.02 . 2 . . . . 22 MET HG3 . 15036 1 199 . 1 1 22 22 MET HE1 H 1 2.012 0.02 . 1 . . . . 22 MET HE . 15036 1 200 . 1 1 22 22 MET HE2 H 1 2.012 0.02 . 1 . . . . 22 MET HE . 15036 1 201 . 1 1 22 22 MET HE3 H 1 2.012 0.02 . 1 . . . . 22 MET HE . 15036 1 202 . 1 1 22 22 MET C C 13 175.523 0.10 . 1 . . . . 22 MET C . 15036 1 203 . 1 1 22 22 MET CA C 13 54.415 0.10 . 1 . . . . 22 MET CA . 15036 1 204 . 1 1 22 22 MET CB C 13 34.942 0.20 . 1 . . . . 22 MET CB . 15036 1 205 . 1 1 22 22 MET CG C 13 31.699 0.20 . 1 . . . . 22 MET CG . 15036 1 206 . 1 1 22 22 MET CE C 13 17.146 0.10 . 1 . . . . 22 MET CE . 15036 1 207 . 1 1 22 22 MET N N 15 124.696 0.10 . 1 . . . . 22 MET N . 15036 1 208 . 1 1 23 23 ASP H H 1 8.332 0.02 . 1 . . . . 23 ASP H . 15036 1 209 . 1 1 23 23 ASP HA H 1 4.754 0.02 . 1 . . . . 23 ASP HA . 15036 1 210 . 1 1 23 23 ASP HB2 H 1 3.702 0.02 . 2 . . . . 23 ASP HB2 . 15036 1 211 . 1 1 23 23 ASP HB3 H 1 2.143 0.02 . 2 . . . . 23 ASP HB3 . 15036 1 212 . 1 1 23 23 ASP C C 13 177.647 0.10 . 1 . . . . 23 ASP C . 15036 1 213 . 1 1 23 23 ASP CA C 13 52.610 0.10 . 1 . . . . 23 ASP CA . 15036 1 214 . 1 1 23 23 ASP CB C 13 42.547 0.10 . 1 . . . . 23 ASP CB . 15036 1 215 . 1 1 23 23 ASP N N 15 123.256 0.10 . 1 . . . . 23 ASP N . 15036 1 216 . 1 1 24 24 LEU H H 1 8.181 0.02 . 1 . . . . 24 LEU H . 15036 1 217 . 1 1 24 24 LEU HA H 1 4.242 0.02 . 1 . . . . 24 LEU HA . 15036 1 218 . 1 1 24 24 LEU HB2 H 1 1.878 0.02 . 2 . . . . 24 LEU HB2 . 15036 1 219 . 1 1 24 24 LEU HB3 H 1 1.736 0.02 . 2 . . . . 24 LEU HB3 . 15036 1 220 . 1 1 24 24 LEU HG H 1 1.891 0.02 . 1 . . . . 24 LEU HG . 15036 1 221 . 1 1 24 24 LEU HD11 H 1 1.038 0.02 . 2 . . . . 24 LEU HD1 . 15036 1 222 . 1 1 24 24 LEU HD12 H 1 1.038 0.02 . 2 . . . . 24 LEU HD1 . 15036 1 223 . 1 1 24 24 LEU HD13 H 1 1.038 0.02 . 2 . . . . 24 LEU HD1 . 15036 1 224 . 1 1 24 24 LEU HD21 H 1 0.998 0.02 . 2 . . . . 24 LEU HD2 . 15036 1 225 . 1 1 24 24 LEU HD22 H 1 0.998 0.02 . 2 . . . . 24 LEU HD2 . 15036 1 226 . 1 1 24 24 LEU HD23 H 1 0.998 0.02 . 2 . . . . 24 LEU HD2 . 15036 1 227 . 1 1 24 24 LEU C C 13 178.555 0.10 . 1 . . . . 24 LEU C . 15036 1 228 . 1 1 24 24 LEU CA C 13 57.419 0.10 . 1 . . . . 24 LEU CA . 15036 1 229 . 1 1 24 24 LEU CB C 13 41.673 0.10 . 1 . . . . 24 LEU CB . 15036 1 230 . 1 1 24 24 LEU CG C 13 27.649 0.10 . 1 . . . . 24 LEU CG . 15036 1 231 . 1 1 24 24 LEU CD1 C 13 25.409 0.20 . 2 . . . . 24 LEU CD1 . 15036 1 232 . 1 1 24 24 LEU CD2 C 13 23.320 0.20 . 2 . . . . 24 LEU CD2 . 15036 1 233 . 1 1 24 24 LEU N N 15 117.541 0.10 . 1 . . . . 24 LEU N . 15036 1 234 . 1 1 25 25 LYS H H 1 8.179 0.02 . 1 . . . . 25 LYS H . 15036 1 235 . 1 1 25 25 LYS HA H 1 4.406 0.02 . 1 . . . . 25 LYS HA . 15036 1 236 . 1 1 25 25 LYS HB2 H 1 1.764 0.02 . 2 . . . . 25 LYS HB2 . 15036 1 237 . 1 1 25 25 LYS HB3 H 1 1.680 0.02 . 2 . . . . 25 LYS HB3 . 15036 1 238 . 1 1 25 25 LYS HG2 H 1 1.493 0.02 . 2 . . . . 25 LYS HG2 . 15036 1 239 . 1 1 25 25 LYS HG3 H 1 1.391 0.02 . 2 . . . . 25 LYS HG3 . 15036 1 240 . 1 1 25 25 LYS HD2 H 1 2.023 0.02 . 2 . . . . 25 LYS HD2 . 15036 1 241 . 1 1 25 25 LYS HD3 H 1 1.588 0.02 . 2 . . . . 25 LYS HD3 . 15036 1 242 . 1 1 25 25 LYS HE2 H 1 3.018 0.02 . 2 . . . . 25 LYS HE2 . 15036 1 243 . 1 1 25 25 LYS C C 13 176.776 0.10 . 1 . . . . 25 LYS C . 15036 1 244 . 1 1 25 25 LYS CA C 13 55.683 0.10 . 1 . . . . 25 LYS CA . 15036 1 245 . 1 1 25 25 LYS CB C 13 32.754 0.10 . 1 . . . . 25 LYS CB . 15036 1 246 . 1 1 25 25 LYS CG C 13 25.505 0.20 . 1 . . . . 25 LYS CG . 15036 1 247 . 1 1 25 25 LYS CE C 13 42.715 0.10 . 1 . . . . 25 LYS CE . 15036 1 248 . 1 1 25 25 LYS N N 15 118.530 0.10 . 1 . . . . 25 LYS N . 15036 1 249 . 1 1 26 26 GLY H H 1 7.928 0.02 . 1 . . . . 26 GLY H . 15036 1 250 . 1 1 26 26 GLY HA2 H 1 4.186 0.02 . 2 . . . . 26 GLY HA2 . 15036 1 251 . 1 1 26 26 GLY HA3 H 1 3.638 0.02 . 2 . . . . 26 GLY HA3 . 15036 1 252 . 1 1 26 26 GLY C C 13 174.282 0.10 . 1 . . . . 26 GLY C . 15036 1 253 . 1 1 26 26 GLY CA C 13 45.539 0.10 . 1 . . . . 26 GLY CA . 15036 1 254 . 1 1 26 26 GLY N N 15 108.066 0.10 . 1 . . . . 26 GLY N . 15036 1 255 . 1 1 27 27 ASN H H 1 8.219 0.02 . 1 . . . . 27 ASN H . 15036 1 256 . 1 1 27 27 ASN HA H 1 4.593 0.02 . 1 . . . . 27 ASN HA . 15036 1 257 . 1 1 27 27 ASN HB2 H 1 2.998 0.02 . 2 . . . . 27 ASN HB2 . 15036 1 258 . 1 1 27 27 ASN HB3 H 1 2.180 0.02 . 2 . . . . 27 ASN HB3 . 15036 1 259 . 1 1 27 27 ASN HD21 H 1 7.821 0.02 . 2 . . . . 27 ASN HD21 . 15036 1 260 . 1 1 27 27 ASN HD22 H 1 6.980 0.02 . 2 . . . . 27 ASN HD22 . 15036 1 261 . 1 1 27 27 ASN C C 13 174.344 0.10 . 1 . . . . 27 ASN C . 15036 1 262 . 1 1 27 27 ASN CA C 13 52.656 0.20 . 1 . . . . 27 ASN CA . 15036 1 263 . 1 1 27 27 ASN CB C 13 38.594 0.10 . 1 . . . . 27 ASN CB . 15036 1 264 . 1 1 27 27 ASN N N 15 120.339 0.10 . 1 . . . . 27 ASN N . 15036 1 265 . 1 1 27 27 ASN ND2 N 15 116.791 0.10 . 1 . . . . 27 ASN ND2 . 15036 1 266 . 1 1 28 28 LYS H H 1 8.236 0.02 . 1 . . . . 28 LYS H . 15036 1 267 . 1 1 28 28 LYS HA H 1 4.794 0.02 . 1 . . . . 28 LYS HA . 15036 1 268 . 1 1 28 28 LYS HB2 H 1 1.553 0.02 . 2 . . . . 28 LYS HB2 . 15036 1 269 . 1 1 28 28 LYS HB3 H 1 1.391 0.02 . 2 . . . . 28 LYS HB3 . 15036 1 270 . 1 1 28 28 LYS HG2 H 1 1.360 0.02 . 2 . . . . 28 LYS HG2 . 15036 1 271 . 1 1 28 28 LYS HG3 H 1 1.164 0.02 . 2 . . . . 28 LYS HG3 . 15036 1 272 . 1 1 28 28 LYS HD2 H 1 1.535 0.02 . 2 . . . . 28 LYS HD2 . 15036 1 273 . 1 1 28 28 LYS HE2 H 1 2.906 0.02 . 2 . . . . 28 LYS HE2 . 15036 1 274 . 1 1 28 28 LYS C C 13 176.302 0.10 . 1 . . . . 28 LYS C . 15036 1 275 . 1 1 28 28 LYS CA C 13 55.564 0.10 . 1 . . . . 28 LYS CA . 15036 1 276 . 1 1 28 28 LYS CB C 13 34.465 0.10 . 1 . . . . 28 LYS CB . 15036 1 277 . 1 1 28 28 LYS N N 15 121.563 0.10 . 1 . . . . 28 LYS N . 15036 1 278 . 1 1 29 29 HIS H H 1 8.514 0.02 . 1 . . . . 29 HIS H . 15036 1 279 . 1 1 29 29 HIS HA H 1 4.785 0.02 . 1 . . . . 29 HIS HA . 15036 1 280 . 1 1 29 29 HIS HB2 H 1 2.954 0.02 . 2 . . . . 29 HIS HB2 . 15036 1 281 . 1 1 29 29 HIS HB3 H 1 2.182 0.02 . 2 . . . . 29 HIS HB3 . 15036 1 282 . 1 1 29 29 HIS HD2 H 1 5.866 0.02 . 1 . . . . 29 HIS HD2 . 15036 1 283 . 1 1 29 29 HIS HE1 H 1 7.723 0.02 . 1 . . . . 29 HIS HE1 . 15036 1 284 . 1 1 29 29 HIS CA C 13 52.330 0.20 . 1 . . . . 29 HIS CA . 15036 1 285 . 1 1 29 29 HIS CB C 13 31.395 0.10 . 1 . . . . 29 HIS CB . 15036 1 286 . 1 1 29 29 HIS N N 15 120.213 0.20 . 1 . . . . 29 HIS N . 15036 1 287 . 1 1 30 30 PRO HA H 1 4.664 0.02 . 1 . . . . 30 PRO HA . 15036 1 288 . 1 1 30 30 PRO HB2 H 1 2.429 0.02 . 2 . . . . 30 PRO HB2 . 15036 1 289 . 1 1 30 30 PRO HB3 H 1 1.984 0.02 . 2 . . . . 30 PRO HB3 . 15036 1 290 . 1 1 30 30 PRO HG2 H 1 2.095 0.02 . 2 . . . . 30 PRO HG2 . 15036 1 291 . 1 1 30 30 PRO HG3 H 1 2.027 0.02 . 2 . . . . 30 PRO HG3 . 15036 1 292 . 1 1 30 30 PRO HD2 H 1 3.811 0.02 . 2 . . . . 30 PRO HD2 . 15036 1 293 . 1 1 30 30 PRO C C 13 177.417 0.10 . 1 . . . . 30 PRO C . 15036 1 294 . 1 1 30 30 PRO CA C 13 62.221 0.20 . 1 . . . . 30 PRO CA . 15036 1 295 . 1 1 30 30 PRO CB C 13 33.343 0.10 . 1 . . . . 30 PRO CB . 15036 1 296 . 1 1 30 30 PRO CG C 13 27.665 0.10 . 1 . . . . 30 PRO CG . 15036 1 297 . 1 1 30 30 PRO CD C 13 51.420 0.10 . 1 . . . . 30 PRO CD . 15036 1 298 . 1 1 31 31 ILE H H 1 8.453 0.02 . 1 . . . . 31 ILE H . 15036 1 299 . 1 1 31 31 ILE HA H 1 3.723 0.02 . 1 . . . . 31 ILE HA . 15036 1 300 . 1 1 31 31 ILE HB H 1 1.789 0.02 . 1 . . . . 31 ILE HB . 15036 1 301 . 1 1 31 31 ILE HG12 H 1 1.491 0.02 . 2 . . . . 31 ILE HG12 . 15036 1 302 . 1 1 31 31 ILE HG13 H 1 1.302 0.02 . 2 . . . . 31 ILE HG13 . 15036 1 303 . 1 1 31 31 ILE HG21 H 1 0.983 0.02 . 1 . . . . 31 ILE HG2 . 15036 1 304 . 1 1 31 31 ILE HG22 H 1 0.983 0.02 . 1 . . . . 31 ILE HG2 . 15036 1 305 . 1 1 31 31 ILE HG23 H 1 0.983 0.02 . 1 . . . . 31 ILE HG2 . 15036 1 306 . 1 1 31 31 ILE HD11 H 1 0.873 0.02 . 1 . . . . 31 ILE HD1 . 15036 1 307 . 1 1 31 31 ILE HD12 H 1 0.873 0.02 . 1 . . . . 31 ILE HD1 . 15036 1 308 . 1 1 31 31 ILE HD13 H 1 0.873 0.02 . 1 . . . . 31 ILE HD1 . 15036 1 309 . 1 1 31 31 ILE C C 13 175.876 0.10 . 1 . . . . 31 ILE C . 15036 1 310 . 1 1 31 31 ILE CA C 13 62.881 0.20 . 1 . . . . 31 ILE CA . 15036 1 311 . 1 1 31 31 ILE CB C 13 37.754 0.20 . 1 . . . . 31 ILE CB . 15036 1 312 . 1 1 31 31 ILE CG1 C 13 28.778 0.20 . 1 . . . . 31 ILE CG1 . 15036 1 313 . 1 1 31 31 ILE CG2 C 13 17.665 0.20 . 1 . . . . 31 ILE CG2 . 15036 1 314 . 1 1 31 31 ILE CD1 C 13 13.480 0.20 . 1 . . . . 31 ILE CD1 . 15036 1 315 . 1 1 31 31 ILE N N 15 123.629 0.10 . 1 . . . . 31 ILE N . 15036 1 316 . 1 1 32 32 ASN H H 1 9.080 0.02 . 1 . . . . 32 ASN H . 15036 1 317 . 1 1 32 32 ASN HA H 1 4.274 0.02 . 1 . . . . 32 ASN HA . 15036 1 318 . 1 1 32 32 ASN HB2 H 1 3.269 0.02 . 2 . . . . 32 ASN HB2 . 15036 1 319 . 1 1 32 32 ASN HB3 H 1 3.061 0.02 . 2 . . . . 32 ASN HB3 . 15036 1 320 . 1 1 32 32 ASN HD21 H 1 7.549 0.02 . 2 . . . . 32 ASN HD21 . 15036 1 321 . 1 1 32 32 ASN HD22 H 1 6.938 0.02 . 2 . . . . 32 ASN HD22 . 15036 1 322 . 1 1 32 32 ASN C C 13 174.318 0.10 . 1 . . . . 32 ASN C . 15036 1 323 . 1 1 32 32 ASN CA C 13 55.924 0.20 . 1 . . . . 32 ASN CA . 15036 1 324 . 1 1 32 32 ASN CB C 13 37.485 0.10 . 1 . . . . 32 ASN CB . 15036 1 325 . 1 1 32 32 ASN N N 15 120.208 0.10 . 1 . . . . 32 ASN N . 15036 1 326 . 1 1 32 32 ASN ND2 N 15 113.162 0.10 . 1 . . . . 32 ASN ND2 . 15036 1 327 . 1 1 33 33 SER H H 1 7.909 0.02 . 1 . . . . 33 SER H . 15036 1 328 . 1 1 33 33 SER HA H 1 4.663 0.02 . 1 . . . . 33 SER HA . 15036 1 329 . 1 1 33 33 SER HB2 H 1 4.210 0.02 . 2 . . . . 33 SER HB2 . 15036 1 330 . 1 1 33 33 SER HB3 H 1 3.975 0.02 . 2 . . . . 33 SER HB3 . 15036 1 331 . 1 1 33 33 SER C C 13 171.771 0.10 . 1 . . . . 33 SER C . 15036 1 332 . 1 1 33 33 SER CA C 13 58.728 0.20 . 1 . . . . 33 SER CA . 15036 1 333 . 1 1 33 33 SER CB C 13 65.835 0.20 . 1 . . . . 33 SER CB . 15036 1 334 . 1 1 33 33 SER N N 15 115.538 0.10 . 1 . . . . 33 SER N . 15036 1 335 . 1 1 34 34 GLU H H 1 8.248 0.02 . 1 . . . . 34 GLU H . 15036 1 336 . 1 1 34 34 GLU HA H 1 5.705 0.02 . 1 . . . . 34 GLU HA . 15036 1 337 . 1 1 34 34 GLU HB2 H 1 1.811 0.02 . 2 . . . . 34 GLU HB2 . 15036 1 338 . 1 1 34 34 GLU HG2 H 1 2.174 0.02 . 2 . . . . 34 GLU HG2 . 15036 1 339 . 1 1 34 34 GLU HG3 H 1 2.081 0.02 . 2 . . . . 34 GLU HG3 . 15036 1 340 . 1 1 34 34 GLU C C 13 176.555 0.10 . 1 . . . . 34 GLU C . 15036 1 341 . 1 1 34 34 GLU CA C 13 54.250 0.20 . 1 . . . . 34 GLU CA . 15036 1 342 . 1 1 34 34 GLU CB C 13 34.101 0.10 . 1 . . . . 34 GLU CB . 15036 1 343 . 1 1 34 34 GLU CG C 13 36.036 0.10 . 1 . . . . 34 GLU CG . 15036 1 344 . 1 1 34 34 GLU N N 15 119.173 0.10 . 1 . . . . 34 GLU N . 15036 1 345 . 1 1 35 35 TRP H H 1 8.816 0.02 . 1 . . . . 35 TRP H . 15036 1 346 . 1 1 35 35 TRP HA H 1 4.987 0.02 . 1 . . . . 35 TRP HA . 15036 1 347 . 1 1 35 35 TRP HB2 H 1 3.262 0.02 . 2 . . . . 35 TRP HB2 . 15036 1 348 . 1 1 35 35 TRP HB3 H 1 3.198 0.02 . 2 . . . . 35 TRP HB3 . 15036 1 349 . 1 1 35 35 TRP HD1 H 1 6.790 0.02 . 1 . . . . 35 TRP HD1 . 15036 1 350 . 1 1 35 35 TRP HE1 H 1 9.917 0.02 . 1 . . . . 35 TRP HE1 . 15036 1 351 . 1 1 35 35 TRP HE3 H 1 6.785 0.02 . 1 . . . . 35 TRP HE3 . 15036 1 352 . 1 1 35 35 TRP HZ2 H 1 6.946 0.02 . 1 . . . . 35 TRP HZ2 . 15036 1 353 . 1 1 35 35 TRP HZ3 H 1 6.586 0.02 . 1 . . . . 35 TRP HZ3 . 15036 1 354 . 1 1 35 35 TRP HH2 H 1 6.403 0.02 . 1 . . . . 35 TRP HH2 . 15036 1 355 . 1 1 35 35 TRP C C 13 172.374 0.10 . 1 . . . . 35 TRP C . 15036 1 356 . 1 1 35 35 TRP CA C 13 57.078 0.20 . 1 . . . . 35 TRP CA . 15036 1 357 . 1 1 35 35 TRP CB C 13 31.749 0.20 . 1 . . . . 35 TRP CB . 15036 1 358 . 1 1 35 35 TRP N N 15 123.360 0.10 . 1 . . . . 35 TRP N . 15036 1 359 . 1 1 35 35 TRP NE1 N 15 129.256 0.10 . 1 . . . . 35 TRP NE1 . 15036 1 360 . 1 1 36 36 GLN H H 1 8.492 0.02 . 1 . . . . 36 GLN H . 15036 1 361 . 1 1 36 36 GLN HA H 1 5.427 0.02 . 1 . . . . 36 GLN HA . 15036 1 362 . 1 1 36 36 GLN HB2 H 1 2.077 0.02 . 2 . . . . 36 GLN HB2 . 15036 1 363 . 1 1 36 36 GLN HB3 H 1 2.170 0.02 . 2 . . . . 36 GLN HB3 . 15036 1 364 . 1 1 36 36 GLN HG2 H 1 2.585 0.02 . 2 . . . . 36 GLN HG2 . 15036 1 365 . 1 1 36 36 GLN HG3 H 1 2.409 0.02 . 2 . . . . 36 GLN HG3 . 15036 1 366 . 1 1 36 36 GLN HE21 H 1 7.511 0.02 . 2 . . . . 36 GLN HE21 . 15036 1 367 . 1 1 36 36 GLN HE22 H 1 6.771 0.02 . 2 . . . . 36 GLN HE22 . 15036 1 368 . 1 1 36 36 GLN C C 13 177.654 0.10 . 1 . . . . 36 GLN C . 15036 1 369 . 1 1 36 36 GLN CA C 13 54.339 0.20 . 1 . . . . 36 GLN CA . 15036 1 370 . 1 1 36 36 GLN CB C 13 31.198 0.20 . 1 . . . . 36 GLN CB . 15036 1 371 . 1 1 36 36 GLN CG C 13 34.892 0.10 . 1 . . . . 36 GLN CG . 15036 1 372 . 1 1 36 36 GLN N N 15 119.992 0.10 . 1 . . . . 36 GLN N . 15036 1 373 . 1 1 36 36 GLN NE2 N 15 112.706 0.10 . 1 . . . . 36 GLN NE2 . 15036 1 374 . 1 1 37 37 THR H H 1 8.524 0.02 . 1 . . . . 37 THR H . 15036 1 375 . 1 1 37 37 THR HA H 1 4.921 0.02 . 1 . . . . 37 THR HA . 15036 1 376 . 1 1 37 37 THR HB H 1 4.817 0.02 . 1 . . . . 37 THR HB . 15036 1 377 . 1 1 37 37 THR HG21 H 1 1.357 0.02 . 1 . . . . 37 THR HG2 . 15036 1 378 . 1 1 37 37 THR HG22 H 1 1.357 0.02 . 1 . . . . 37 THR HG2 . 15036 1 379 . 1 1 37 37 THR HG23 H 1 1.357 0.02 . 1 . . . . 37 THR HG2 . 15036 1 380 . 1 1 37 37 THR CA C 13 60.191 0.10 . 1 . . . . 37 THR CA . 15036 1 381 . 1 1 37 37 THR CB C 13 71.641 0.20 . 1 . . . . 37 THR CB . 15036 1 382 . 1 1 37 37 THR CG2 C 13 23.041 0.20 . 1 . . . . 37 THR CG2 . 15036 1 383 . 1 1 37 37 THR N N 15 114.447 0.10 . 1 . . . . 37 THR N . 15036 1 384 . 1 1 38 38 ASP H H 1 8.639 0.02 . 1 . . . . 38 ASP H . 15036 1 385 . 1 1 38 38 ASP HA H 1 4.739 0.02 . 1 . . . . 38 ASP HA . 15036 1 386 . 1 1 38 38 ASP HB2 H 1 2.820 0.02 . 2 . . . . 38 ASP HB2 . 15036 1 387 . 1 1 38 38 ASP HB3 H 1 2.768 0.02 . 2 . . . . 38 ASP HB3 . 15036 1 388 . 1 1 38 38 ASP C C 13 175.875 0.10 . 1 . . . . 38 ASP C . 15036 1 389 . 1 1 38 38 ASP CA C 13 54.952 0.20 . 1 . . . . 38 ASP CA . 15036 1 390 . 1 1 38 38 ASP CB C 13 40.570 0.10 . 1 . . . . 38 ASP CB . 15036 1 391 . 1 1 38 38 ASP N N 15 118.548 0.10 . 1 . . . . 38 ASP N . 15036 1 392 . 1 1 39 39 ASN H H 1 8.187 0.02 . 1 . . . . 39 ASN H . 15036 1 393 . 1 1 39 39 ASN HA H 1 5.031 0.02 . 1 . . . . 39 ASN HA . 15036 1 394 . 1 1 39 39 ASN HB2 H 1 2.874 0.02 . 2 . . . . 39 ASN HB2 . 15036 1 395 . 1 1 39 39 ASN HB3 H 1 2.465 0.02 . 2 . . . . 39 ASN HB3 . 15036 1 396 . 1 1 39 39 ASN HD21 H 1 7.449 0.02 . 2 . . . . 39 ASN HD21 . 15036 1 397 . 1 1 39 39 ASN HD22 H 1 6.723 0.02 . 2 . . . . 39 ASN HD22 . 15036 1 398 . 1 1 39 39 ASN C C 13 174.427 0.10 . 1 . . . . 39 ASN C . 15036 1 399 . 1 1 39 39 ASN CA C 13 52.249 0.20 . 1 . . . . 39 ASN CA . 15036 1 400 . 1 1 39 39 ASN CB C 13 39.013 0.10 . 1 . . . . 39 ASN CB . 15036 1 401 . 1 1 39 39 ASN N N 15 118.052 0.10 . 1 . . . . 39 ASN N . 15036 1 402 . 1 1 39 39 ASN ND2 N 15 113.276 0.10 . 1 . . . . 39 ASN ND2 . 15036 1 403 . 1 1 40 40 CYS H H 1 8.590 0.02 . 1 . . . . 40 CYS H . 15036 1 404 . 1 1 40 40 CYS HA H 1 4.351 0.02 . 1 . . . . 40 CYS HA . 15036 1 405 . 1 1 40 40 CYS HB2 H 1 3.170 0.02 . 2 . . . . 40 CYS HB2 . 15036 1 406 . 1 1 40 40 CYS HB3 H 1 3.282 0.02 . 2 . . . . 40 CYS HB3 . 15036 1 407 . 1 1 40 40 CYS C C 13 174.181 0.10 . 1 . . . . 40 CYS C . 15036 1 408 . 1 1 40 40 CYS CA C 13 56.496 0.20 . 1 . . . . 40 CYS CA . 15036 1 409 . 1 1 40 40 CYS CB C 13 37.132 0.20 . 1 . . . . 40 CYS CB . 15036 1 410 . 1 1 40 40 CYS N N 15 113.116 0.10 . 1 . . . . 40 CYS N . 15036 1 411 . 1 1 41 41 GLU H H 1 7.217 0.02 . 1 . . . . 41 GLU H . 15036 1 412 . 1 1 41 41 GLU HA H 1 5.061 0.02 . 1 . . . . 41 GLU HA . 15036 1 413 . 1 1 41 41 GLU HB2 H 1 2.132 0.02 . 2 . . . . 41 GLU HB2 . 15036 1 414 . 1 1 41 41 GLU HB3 H 1 2.023 0.02 . 2 . . . . 41 GLU HB3 . 15036 1 415 . 1 1 41 41 GLU C C 13 175.781 0.10 . 1 . . . . 41 GLU C . 15036 1 416 . 1 1 41 41 GLU CA C 13 54.515 0.10 . 1 . . . . 41 GLU CA . 15036 1 417 . 1 1 41 41 GLU CB C 13 32.736 0.10 . 1 . . . . 41 GLU CB . 15036 1 418 . 1 1 41 41 GLU N N 15 115.379 0.10 . 1 . . . . 41 GLU N . 15036 1 419 . 1 1 42 42 THR H H 1 8.619 0.02 . 1 . . . . 42 THR H . 15036 1 420 . 1 1 42 42 THR HA H 1 4.901 0.02 . 1 . . . . 42 THR HA . 15036 1 421 . 1 1 42 42 THR HB H 1 3.791 0.02 . 1 . . . . 42 THR HB . 15036 1 422 . 1 1 42 42 THR HG21 H 1 0.992 0.02 . 1 . . . . 42 THR HG2 . 15036 1 423 . 1 1 42 42 THR HG22 H 1 0.992 0.02 . 1 . . . . 42 THR HG2 . 15036 1 424 . 1 1 42 42 THR HG23 H 1 0.992 0.02 . 1 . . . . 42 THR HG2 . 15036 1 425 . 1 1 42 42 THR C C 13 174.444 0.10 . 1 . . . . 42 THR C . 15036 1 426 . 1 1 42 42 THR CA C 13 60.805 0.10 . 1 . . . . 42 THR CA . 15036 1 427 . 1 1 42 42 THR CB C 13 70.458 0.10 . 1 . . . . 42 THR CB . 15036 1 428 . 1 1 42 42 THR CG2 C 13 20.924 0.10 . 1 . . . . 42 THR CG2 . 15036 1 429 . 1 1 42 42 THR N N 15 116.942 0.10 . 1 . . . . 42 THR N . 15036 1 430 . 1 1 43 43 CYS H H 1 8.946 0.02 . 1 . . . . 43 CYS H . 15036 1 431 . 1 1 43 43 CYS HA H 1 5.505 0.02 . 1 . . . . 43 CYS HA . 15036 1 432 . 1 1 43 43 CYS HB2 H 1 1.612 0.02 . 2 . . . . 43 CYS HB2 . 15036 1 433 . 1 1 43 43 CYS HB3 H 1 0.488 0.02 . 2 . . . . 43 CYS HB3 . 15036 1 434 . 1 1 43 43 CYS C C 13 171.438 0.10 . 1 . . . . 43 CYS C . 15036 1 435 . 1 1 43 43 CYS CA C 13 54.817 0.10 . 1 . . . . 43 CYS CA . 15036 1 436 . 1 1 43 43 CYS CB C 13 46.544 0.20 . 1 . . . . 43 CYS CB . 15036 1 437 . 1 1 43 43 CYS N N 15 128.167 0.10 . 1 . . . . 43 CYS N . 15036 1 438 . 1 1 44 44 THR H H 1 8.526 0.02 . 1 . . . . 44 THR H . 15036 1 439 . 1 1 44 44 THR HA H 1 4.785 0.02 . 1 . . . . 44 THR HA . 15036 1 440 . 1 1 44 44 THR HB H 1 3.491 0.02 . 1 . . . . 44 THR HB . 15036 1 441 . 1 1 44 44 THR HG21 H 1 0.604 0.02 . 1 . . . . 44 THR HG2 . 15036 1 442 . 1 1 44 44 THR HG22 H 1 0.604 0.02 . 1 . . . . 44 THR HG2 . 15036 1 443 . 1 1 44 44 THR HG23 H 1 0.604 0.02 . 1 . . . . 44 THR HG2 . 15036 1 444 . 1 1 44 44 THR C C 13 172.832 0.10 . 1 . . . . 44 THR C . 15036 1 445 . 1 1 44 44 THR CA C 13 61.090 0.10 . 1 . . . . 44 THR CA . 15036 1 446 . 1 1 44 44 THR CB C 13 71.523 0.10 . 1 . . . . 44 THR CB . 15036 1 447 . 1 1 44 44 THR CG2 C 13 20.687 0.20 . 1 . . . . 44 THR CG2 . 15036 1 448 . 1 1 44 44 THR N N 15 115.720 0.10 . 1 . . . . 44 THR N . 15036 1 449 . 1 1 45 45 CYS H H 1 8.209 0.02 . 1 . . . . 45 CYS H . 15036 1 450 . 1 1 45 45 CYS HA H 1 4.941 0.02 . 1 . . . . 45 CYS HA . 15036 1 451 . 1 1 45 45 CYS HB2 H 1 3.194 0.02 . 2 . . . . 45 CYS HB2 . 15036 1 452 . 1 1 45 45 CYS HB3 H 1 3.095 0.02 . 2 . . . . 45 CYS HB3 . 15036 1 453 . 1 1 45 45 CYS C C 13 172.678 0.10 . 1 . . . . 45 CYS C . 15036 1 454 . 1 1 45 45 CYS CA C 13 54.559 0.20 . 1 . . . . 45 CYS CA . 15036 1 455 . 1 1 45 45 CYS CB C 13 38.735 0.20 . 1 . . . . 45 CYS CB . 15036 1 456 . 1 1 45 45 CYS N N 15 123.468 0.10 . 1 . . . . 45 CYS N . 15036 1 457 . 1 1 46 46 TYR H H 1 8.507 0.02 . 1 . . . . 46 TYR H . 15036 1 458 . 1 1 46 46 TYR HA H 1 5.127 0.02 . 1 . . . . 46 TYR HA . 15036 1 459 . 1 1 46 46 TYR HB2 H 1 3.517 0.02 . 2 . . . . 46 TYR HB2 . 15036 1 460 . 1 1 46 46 TYR HB3 H 1 3.277 0.02 . 2 . . . . 46 TYR HB3 . 15036 1 461 . 1 1 46 46 TYR HD1 H 1 7.232 0.02 . 3 . . . . 46 TYR HD1 . 15036 1 462 . 1 1 46 46 TYR HE1 H 1 6.813 0.02 . 3 . . . . 46 TYR HE1 . 15036 1 463 . 1 1 46 46 TYR C C 13 174.903 0.10 . 1 . . . . 46 TYR C . 15036 1 464 . 1 1 46 46 TYR CA C 13 56.639 0.10 . 1 . . . . 46 TYR CA . 15036 1 465 . 1 1 46 46 TYR CB C 13 40.103 0.10 . 1 . . . . 46 TYR CB . 15036 1 466 . 1 1 46 46 TYR N N 15 129.421 0.10 . 1 . . . . 46 TYR N . 15036 1 467 . 1 1 47 47 GLU H H 1 8.870 0.02 . 1 . . . . 47 GLU H . 15036 1 468 . 1 1 47 47 GLU HA H 1 3.881 0.02 . 1 . . . . 47 GLU HA . 15036 1 469 . 1 1 47 47 GLU HB2 H 1 2.223 0.02 . 2 . . . . 47 GLU HB2 . 15036 1 470 . 1 1 47 47 GLU HB3 H 1 2.120 0.02 . 2 . . . . 47 GLU HB3 . 15036 1 471 . 1 1 47 47 GLU HG2 H 1 2.360 0.02 . 2 . . . . 47 GLU HG2 . 15036 1 472 . 1 1 47 47 GLU C C 13 178.829 0.10 . 1 . . . . 47 GLU C . 15036 1 473 . 1 1 47 47 GLU CA C 13 60.974 0.20 . 1 . . . . 47 GLU CA . 15036 1 474 . 1 1 47 47 GLU CB C 13 30.255 0.10 . 1 . . . . 47 GLU CB . 15036 1 475 . 1 1 47 47 GLU CG C 13 36.955 0.20 . 1 . . . . 47 GLU CG . 15036 1 476 . 1 1 47 47 GLU N N 15 118.845 0.10 . 1 . . . . 47 GLU N . 15036 1 477 . 1 1 48 48 THR H H 1 8.123 0.02 . 1 . . . . 48 THR H . 15036 1 478 . 1 1 48 48 THR HA H 1 4.667 0.02 . 1 . . . . 48 THR HA . 15036 1 479 . 1 1 48 48 THR HB H 1 4.506 0.02 . 1 . . . . 48 THR HB . 15036 1 480 . 1 1 48 48 THR HG21 H 1 1.198 0.02 . 1 . . . . 48 THR HG2 . 15036 1 481 . 1 1 48 48 THR HG22 H 1 1.198 0.02 . 1 . . . . 48 THR HG2 . 15036 1 482 . 1 1 48 48 THR HG23 H 1 1.198 0.02 . 1 . . . . 48 THR HG2 . 15036 1 483 . 1 1 48 48 THR C C 13 175.623 0.10 . 1 . . . . 48 THR C . 15036 1 484 . 1 1 48 48 THR CA C 13 61.785 0.20 . 1 . . . . 48 THR CA . 15036 1 485 . 1 1 48 48 THR CB C 13 70.125 0.20 . 1 . . . . 48 THR CB . 15036 1 486 . 1 1 48 48 THR CG2 C 13 22.399 0.20 . 1 . . . . 48 THR CG2 . 15036 1 487 . 1 1 48 48 THR N N 15 103.197 0.10 . 1 . . . . 48 THR N . 15036 1 488 . 1 1 49 49 GLU H H 1 7.304 0.02 . 1 . . . . 49 GLU H . 15036 1 489 . 1 1 49 49 GLU HA H 1 5.067 0.02 . 1 . . . . 49 GLU HA . 15036 1 490 . 1 1 49 49 GLU HB2 H 1 2.371 0.02 . 2 . . . . 49 GLU HB2 . 15036 1 491 . 1 1 49 49 GLU HB3 H 1 1.852 0.02 . 2 . . . . 49 GLU HB3 . 15036 1 492 . 1 1 49 49 GLU C C 13 173.264 0.10 . 1 . . . . 49 GLU C . 15036 1 493 . 1 1 49 49 GLU CA C 13 55.389 0.10 . 1 . . . . 49 GLU CA . 15036 1 494 . 1 1 49 49 GLU CB C 13 32.027 0.10 . 1 . . . . 49 GLU CB . 15036 1 495 . 1 1 49 49 GLU N N 15 119.291 0.10 . 1 . . . . 49 GLU N . 15036 1 496 . 1 1 50 50 ILE H H 1 9.010 0.02 . 1 . . . . 50 ILE H . 15036 1 497 . 1 1 50 50 ILE HA H 1 4.939 0.02 . 1 . . . . 50 ILE HA . 15036 1 498 . 1 1 50 50 ILE HB H 1 1.873 0.02 . 1 . . . . 50 ILE HB . 15036 1 499 . 1 1 50 50 ILE HG12 H 1 1.207 0.02 . 2 . . . . 50 ILE HG12 . 15036 1 500 . 1 1 50 50 ILE HG13 H 1 2.003 0.02 . 2 . . . . 50 ILE HG13 . 15036 1 501 . 1 1 50 50 ILE HG21 H 1 0.938 0.02 . 1 . . . . 50 ILE HG2 . 15036 1 502 . 1 1 50 50 ILE HG22 H 1 0.938 0.02 . 1 . . . . 50 ILE HG2 . 15036 1 503 . 1 1 50 50 ILE HG23 H 1 0.938 0.02 . 1 . . . . 50 ILE HG2 . 15036 1 504 . 1 1 50 50 ILE HD11 H 1 1.084 0.02 . 1 . . . . 50 ILE HD1 . 15036 1 505 . 1 1 50 50 ILE HD12 H 1 1.084 0.02 . 1 . . . . 50 ILE HD1 . 15036 1 506 . 1 1 50 50 ILE HD13 H 1 1.084 0.02 . 1 . . . . 50 ILE HD1 . 15036 1 507 . 1 1 50 50 ILE C C 13 176.405 0.10 . 1 . . . . 50 ILE C . 15036 1 508 . 1 1 50 50 ILE CA C 13 60.652 0.20 . 1 . . . . 50 ILE CA . 15036 1 509 . 1 1 50 50 ILE CB C 13 41.630 0.10 . 1 . . . . 50 ILE CB . 15036 1 510 . 1 1 50 50 ILE CG1 C 13 30.108 0.10 . 1 . . . . 50 ILE CG1 . 15036 1 511 . 1 1 50 50 ILE CG2 C 13 20.280 0.20 . 1 . . . . 50 ILE CG2 . 15036 1 512 . 1 1 50 50 ILE CD1 C 13 15.346 0.20 . 1 . . . . 50 ILE CD1 . 15036 1 513 . 1 1 50 50 ILE N N 15 120.128 0.10 . 1 . . . . 50 ILE N . 15036 1 514 . 1 1 51 51 SER H H 1 8.407 0.02 . 1 . . . . 51 SER H . 15036 1 515 . 1 1 51 51 SER HA H 1 5.142 0.02 . 1 . . . . 51 SER HA . 15036 1 516 . 1 1 51 51 SER HB2 H 1 3.786 0.02 . 2 . . . . 51 SER HB2 . 15036 1 517 . 1 1 51 51 SER HB3 H 1 3.670 0.02 . 2 . . . . 51 SER HB3 . 15036 1 518 . 1 1 51 51 SER C C 13 175.160 0.10 . 1 . . . . 51 SER C . 15036 1 519 . 1 1 51 51 SER CA C 13 55.391 0.20 . 1 . . . . 51 SER CA . 15036 1 520 . 1 1 51 51 SER CB C 13 65.478 0.20 . 1 . . . . 51 SER CB . 15036 1 521 . 1 1 51 51 SER N N 15 120.002 0.10 . 1 . . . . 51 SER N . 15036 1 522 . 1 1 52 52 CYS H H 1 8.515 0.02 . 1 . . . . 52 CYS H . 15036 1 523 . 1 1 52 52 CYS HA H 1 5.272 0.02 . 1 . . . . 52 CYS HA . 15036 1 524 . 1 1 52 52 CYS HB2 H 1 2.190 0.02 . 2 . . . . 52 CYS HB2 . 15036 1 525 . 1 1 52 52 CYS HB3 H 1 1.726 0.02 . 2 . . . . 52 CYS HB3 . 15036 1 526 . 1 1 52 52 CYS C C 13 173.063 0.10 . 1 . . . . 52 CYS C . 15036 1 527 . 1 1 52 52 CYS CA C 13 55.382 0.20 . 1 . . . . 52 CYS CA . 15036 1 528 . 1 1 52 52 CYS CB C 13 47.489 0.20 . 1 . . . . 52 CYS CB . 15036 1 529 . 1 1 52 52 CYS N N 15 125.855 0.10 . 1 . . . . 52 CYS N . 15036 1 530 . 1 1 53 53 CYS H H 1 8.765 0.02 . 1 . . . . 53 CYS H . 15036 1 531 . 1 1 53 53 CYS HA H 1 5.300 0.02 . 1 . . . . 53 CYS HA . 15036 1 532 . 1 1 53 53 CYS HB2 H 1 3.024 0.02 . 2 . . . . 53 CYS HB2 . 15036 1 533 . 1 1 53 53 CYS HB3 H 1 2.731 0.02 . 2 . . . . 53 CYS HB3 . 15036 1 534 . 1 1 53 53 CYS C C 13 174.234 0.10 . 1 . . . . 53 CYS C . 15036 1 535 . 1 1 53 53 CYS CA C 13 54.985 0.20 . 1 . . . . 53 CYS CA . 15036 1 536 . 1 1 53 53 CYS CB C 13 48.172 0.20 . 1 . . . . 53 CYS CB . 15036 1 537 . 1 1 53 53 CYS N N 15 119.979 0.10 . 1 . . . . 53 CYS N . 15036 1 538 . 1 1 54 54 THR H H 1 8.431 0.02 . 1 . . . . 54 THR H . 15036 1 539 . 1 1 54 54 THR HA H 1 4.595 0.02 . 1 . . . . 54 THR HA . 15036 1 540 . 1 1 54 54 THR HB H 1 4.369 0.02 . 1 . . . . 54 THR HB . 15036 1 541 . 1 1 54 54 THR HG21 H 1 1.401 0.02 . 1 . . . . 54 THR HG2 . 15036 1 542 . 1 1 54 54 THR HG22 H 1 1.401 0.02 . 1 . . . . 54 THR HG2 . 15036 1 543 . 1 1 54 54 THR HG23 H 1 1.401 0.02 . 1 . . . . 54 THR HG2 . 15036 1 544 . 1 1 54 54 THR C C 13 173.255 0.10 . 1 . . . . 54 THR C . 15036 1 545 . 1 1 54 54 THR CA C 13 62.367 0.20 . 1 . . . . 54 THR CA . 15036 1 546 . 1 1 54 54 THR CB C 13 69.496 0.10 . 1 . . . . 54 THR CB . 15036 1 547 . 1 1 54 54 THR CG2 C 13 20.852 0.10 . 1 . . . . 54 THR CG2 . 15036 1 548 . 1 1 54 54 THR N N 15 118.207 0.10 . 1 . . . . 54 THR N . 15036 1 549 . 1 1 55 55 LEU H H 1 8.477 0.02 . 1 . . . . 55 LEU H . 15036 1 550 . 1 1 55 55 LEU HA H 1 4.559 0.02 . 1 . . . . 55 LEU HA . 15036 1 551 . 1 1 55 55 LEU HB2 H 1 1.471 0.02 . 2 . . . . 55 LEU HB2 . 15036 1 552 . 1 1 55 55 LEU HB3 H 1 1.722 0.02 . 2 . . . . 55 LEU HB3 . 15036 1 553 . 1 1 55 55 LEU HG H 1 1.454 0.02 . 1 . . . . 55 LEU HG . 15036 1 554 . 1 1 55 55 LEU HD11 H 1 0.825 0.02 . 2 . . . . 55 LEU HD1 . 15036 1 555 . 1 1 55 55 LEU HD12 H 1 0.825 0.02 . 2 . . . . 55 LEU HD1 . 15036 1 556 . 1 1 55 55 LEU HD13 H 1 0.825 0.02 . 2 . . . . 55 LEU HD1 . 15036 1 557 . 1 1 55 55 LEU HD21 H 1 0.774 0.02 . 2 . . . . 55 LEU HD2 . 15036 1 558 . 1 1 55 55 LEU HD22 H 1 0.774 0.02 . 2 . . . . 55 LEU HD2 . 15036 1 559 . 1 1 55 55 LEU HD23 H 1 0.774 0.02 . 2 . . . . 55 LEU HD2 . 15036 1 560 . 1 1 55 55 LEU C C 13 176.990 0.10 . 1 . . . . 55 LEU C . 15036 1 561 . 1 1 55 55 LEU CA C 13 54.726 0.10 . 1 . . . . 55 LEU CA . 15036 1 562 . 1 1 55 55 LEU CB C 13 43.558 0.20 . 1 . . . . 55 LEU CB . 15036 1 563 . 1 1 55 55 LEU CG C 13 27.622 0.10 . 1 . . . . 55 LEU CG . 15036 1 564 . 1 1 55 55 LEU CD1 C 13 23.493 0.10 . 2 . . . . 55 LEU CD1 . 15036 1 565 . 1 1 55 55 LEU CD2 C 13 25.370 0.20 . 2 . . . . 55 LEU CD2 . 15036 1 566 . 1 1 55 55 LEU N N 15 126.401 0.10 . 1 . . . . 55 LEU N . 15036 1 567 . 1 1 56 56 VAL H H 1 8.308 0.02 . 1 . . . . 56 VAL H . 15036 1 568 . 1 1 56 56 VAL HA H 1 4.132 0.02 . 1 . . . . 56 VAL HA . 15036 1 569 . 1 1 56 56 VAL HB H 1 2.147 0.02 . 1 . . . . 56 VAL HB . 15036 1 570 . 1 1 56 56 VAL HG11 H 1 1.033 0.02 . 2 . . . . 56 VAL HG1 . 15036 1 571 . 1 1 56 56 VAL HG12 H 1 1.033 0.02 . 2 . . . . 56 VAL HG1 . 15036 1 572 . 1 1 56 56 VAL HG13 H 1 1.033 0.02 . 2 . . . . 56 VAL HG1 . 15036 1 573 . 1 1 56 56 VAL HG21 H 1 0.972 0.02 . 2 . . . . 56 VAL HG2 . 15036 1 574 . 1 1 56 56 VAL HG22 H 1 0.972 0.02 . 2 . . . . 56 VAL HG2 . 15036 1 575 . 1 1 56 56 VAL HG23 H 1 0.972 0.02 . 2 . . . . 56 VAL HG2 . 15036 1 576 . 1 1 56 56 VAL C C 13 175.637 0.10 . 1 . . . . 56 VAL C . 15036 1 577 . 1 1 56 56 VAL CA C 13 63.004 0.10 . 1 . . . . 56 VAL CA . 15036 1 578 . 1 1 56 56 VAL CB C 13 33.520 0.10 . 1 . . . . 56 VAL CB . 15036 1 579 . 1 1 56 56 VAL CG1 C 13 21.980 0.10 . 2 . . . . 56 VAL CG1 . 15036 1 580 . 1 1 56 56 VAL CG2 C 13 22.973 0.10 . 2 . . . . 56 VAL CG2 . 15036 1 581 . 1 1 56 56 VAL N N 15 123.120 0.10 . 1 . . . . 56 VAL N . 15036 1 582 . 1 1 57 57 SER H H 1 8.379 0.02 . 1 . . . . 57 SER H . 15036 1 583 . 1 1 57 57 SER HA H 1 4.966 0.02 . 1 . . . . 57 SER HA . 15036 1 584 . 1 1 57 57 SER HB2 H 1 3.908 0.02 . 2 . . . . 57 SER HB2 . 15036 1 585 . 1 1 57 57 SER HB3 H 1 3.875 0.02 . 2 . . . . 57 SER HB3 . 15036 1 586 . 1 1 57 57 SER C C 13 175.003 0.10 . 1 . . . . 57 SER C . 15036 1 587 . 1 1 57 57 SER CA C 13 57.716 0.20 . 1 . . . . 57 SER CA . 15036 1 588 . 1 1 57 57 SER CB C 13 64.438 0.20 . 1 . . . . 57 SER CB . 15036 1 589 . 1 1 57 57 SER N N 15 123.728 0.10 . 1 . . . . 57 SER N . 15036 1 590 . 1 1 58 58 THR H H 1 9.517 0.02 . 1 . . . . 58 THR H . 15036 1 591 . 1 1 58 58 THR HA H 1 4.819 0.02 . 1 . . . . 58 THR HA . 15036 1 592 . 1 1 58 58 THR HB H 1 4.055 0.02 . 1 . . . . 58 THR HB . 15036 1 593 . 1 1 58 58 THR HG21 H 1 0.987 0.02 . 1 . . . . 58 THR HG2 . 15036 1 594 . 1 1 58 58 THR HG22 H 1 0.987 0.02 . 1 . . . . 58 THR HG2 . 15036 1 595 . 1 1 58 58 THR HG23 H 1 0.987 0.02 . 1 . . . . 58 THR HG2 . 15036 1 596 . 1 1 58 58 THR CA C 13 60.689 0.20 . 1 . . . . 58 THR CA . 15036 1 597 . 1 1 58 58 THR CB C 13 70.987 0.10 . 1 . . . . 58 THR CB . 15036 1 598 . 1 1 58 58 THR CG2 C 13 20.694 0.10 . 1 . . . . 58 THR CG2 . 15036 1 599 . 1 1 58 58 THR N N 15 123.874 0.10 . 1 . . . . 58 THR N . 15036 1 600 . 1 1 59 59 PRO HA H 1 3.942 0.02 . 1 . . . . 59 PRO HA . 15036 1 601 . 1 1 59 59 PRO HD2 H 1 3.909 0.02 . 2 . . . . 59 PRO HD2 . 15036 1 602 . 1 1 59 59 PRO HD3 H 1 3.275 0.02 . 2 . . . . 59 PRO HD3 . 15036 1 603 . 1 1 59 59 PRO C C 13 175.706 0.10 . 1 . . . . 59 PRO C . 15036 1 604 . 1 1 59 59 PRO CA C 13 62.189 0.20 . 1 . . . . 59 PRO CA . 15036 1 605 . 1 1 59 59 PRO CB C 13 32.108 0.10 . 1 . . . . 59 PRO CB . 15036 1 606 . 1 1 59 59 PRO CD C 13 50.893 0.10 . 1 . . . . 59 PRO CD . 15036 1 607 . 1 1 60 60 VAL H H 1 8.459 0.02 . 1 . . . . 60 VAL H . 15036 1 608 . 1 1 60 60 VAL HA H 1 4.313 0.02 . 1 . . . . 60 VAL HA . 15036 1 609 . 1 1 60 60 VAL HB H 1 1.893 0.02 . 1 . . . . 60 VAL HB . 15036 1 610 . 1 1 60 60 VAL HG11 H 1 0.782 0.02 . 2 . . . . 60 VAL HG1 . 15036 1 611 . 1 1 60 60 VAL HG12 H 1 0.782 0.02 . 2 . . . . 60 VAL HG1 . 15036 1 612 . 1 1 60 60 VAL HG13 H 1 0.782 0.02 . 2 . . . . 60 VAL HG1 . 15036 1 613 . 1 1 60 60 VAL HG21 H 1 0.715 0.02 . 2 . . . . 60 VAL HG2 . 15036 1 614 . 1 1 60 60 VAL HG22 H 1 0.715 0.02 . 2 . . . . 60 VAL HG2 . 15036 1 615 . 1 1 60 60 VAL HG23 H 1 0.715 0.02 . 2 . . . . 60 VAL HG2 . 15036 1 616 . 1 1 60 60 VAL C C 13 175.494 0.10 . 1 . . . . 60 VAL C . 15036 1 617 . 1 1 60 60 VAL CA C 13 61.365 0.10 . 1 . . . . 60 VAL CA . 15036 1 618 . 1 1 60 60 VAL CB C 13 35.369 0.10 . 1 . . . . 60 VAL CB . 15036 1 619 . 1 1 60 60 VAL CG1 C 13 21.781 0.10 . 2 . . . . 60 VAL CG1 . 15036 1 620 . 1 1 60 60 VAL CG2 C 13 20.535 0.20 . 2 . . . . 60 VAL CG2 . 15036 1 621 . 1 1 60 60 VAL N N 15 119.533 0.10 . 1 . . . . 60 VAL N . 15036 1 622 . 1 1 61 61 GLY H H 1 8.309 0.02 . 1 . . . . 61 GLY H . 15036 1 623 . 1 1 61 61 GLY HA2 H 1 3.886 0.02 . 2 . . . . 61 GLY HA2 . 15036 1 624 . 1 1 61 61 GLY HA3 H 1 3.865 0.02 . 2 . . . . 61 GLY HA3 . 15036 1 625 . 1 1 61 61 GLY C C 13 172.985 0.10 . 1 . . . . 61 GLY C . 15036 1 626 . 1 1 61 61 GLY CA C 13 47.031 0.10 . 1 . . . . 61 GLY CA . 15036 1 627 . 1 1 61 61 GLY N N 15 112.135 0.10 . 1 . . . . 61 GLY N . 15036 1 628 . 1 1 62 62 TYR H H 1 6.988 0.02 . 1 . . . . 62 TYR H . 15036 1 629 . 1 1 62 62 TYR HA H 1 4.829 0.02 . 1 . . . . 62 TYR HA . 15036 1 630 . 1 1 62 62 TYR HB2 H 1 3.038 0.02 . 2 . . . . 62 TYR HB2 . 15036 1 631 . 1 1 62 62 TYR HB3 H 1 2.813 0.02 . 2 . . . . 62 TYR HB3 . 15036 1 632 . 1 1 62 62 TYR HD1 H 1 6.390 0.02 . 3 . . . . 62 TYR HD1 . 15036 1 633 . 1 1 62 62 TYR HE1 H 1 6.503 0.02 . 3 . . . . 62 TYR HE1 . 15036 1 634 . 1 1 62 62 TYR C C 13 173.789 0.10 . 1 . . . . 62 TYR C . 15036 1 635 . 1 1 62 62 TYR CA C 13 55.099 0.10 . 1 . . . . 62 TYR CA . 15036 1 636 . 1 1 62 62 TYR CB C 13 41.064 0.20 . 1 . . . . 62 TYR CB . 15036 1 637 . 1 1 62 62 TYR N N 15 117.651 0.10 . 1 . . . . 62 TYR N . 15036 1 638 . 1 1 63 63 ASP H H 1 8.789 0.02 . 1 . . . . 63 ASP H . 15036 1 639 . 1 1 63 63 ASP HA H 1 4.455 0.02 . 1 . . . . 63 ASP HA . 15036 1 640 . 1 1 63 63 ASP HB2 H 1 3.199 0.02 . 2 . . . . 63 ASP HB2 . 15036 1 641 . 1 1 63 63 ASP HB3 H 1 2.628 0.02 . 2 . . . . 63 ASP HB3 . 15036 1 642 . 1 1 63 63 ASP C C 13 175.993 0.10 . 1 . . . . 63 ASP C . 15036 1 643 . 1 1 63 63 ASP CA C 13 53.880 0.10 . 1 . . . . 63 ASP CA . 15036 1 644 . 1 1 63 63 ASP CB C 13 40.648 0.10 . 1 . . . . 63 ASP CB . 15036 1 645 . 1 1 63 63 ASP N N 15 120.148 0.10 . 1 . . . . 63 ASP N . 15036 1 646 . 1 1 64 64 LYS H H 1 8.159 0.02 . 1 . . . . 64 LYS H . 15036 1 647 . 1 1 64 64 LYS HA H 1 4.137 0.02 . 1 . . . . 64 LYS HA . 15036 1 648 . 1 1 64 64 LYS HB2 H 1 1.807 0.02 . 2 . . . . 64 LYS HB2 . 15036 1 649 . 1 1 64 64 LYS HB3 H 1 1.739 0.02 . 2 . . . . 64 LYS HB3 . 15036 1 650 . 1 1 64 64 LYS HG2 H 1 1.229 0.02 . 2 . . . . 64 LYS HG2 . 15036 1 651 . 1 1 64 64 LYS HG3 H 1 1.170 0.02 . 2 . . . . 64 LYS HG3 . 15036 1 652 . 1 1 64 64 LYS HD2 H 1 1.521 0.02 . 2 . . . . 64 LYS HD2 . 15036 1 653 . 1 1 64 64 LYS HE2 H 1 2.816 0.02 . 2 . . . . 64 LYS HE2 . 15036 1 654 . 1 1 64 64 LYS HE3 H 1 2.758 0.02 . 2 . . . . 64 LYS HE3 . 15036 1 655 . 1 1 64 64 LYS C C 13 177.421 0.10 . 1 . . . . 64 LYS C . 15036 1 656 . 1 1 64 64 LYS CA C 13 57.993 0.10 . 1 . . . . 64 LYS CA . 15036 1 657 . 1 1 64 64 LYS CB C 13 32.387 0.10 . 1 . . . . 64 LYS CB . 15036 1 658 . 1 1 64 64 LYS CG C 13 25.761 0.10 . 1 . . . . 64 LYS CG . 15036 1 659 . 1 1 64 64 LYS CD C 13 29.358 0.10 . 1 . . . . 64 LYS CD . 15036 1 660 . 1 1 64 64 LYS CE C 13 42.051 0.10 . 1 . . . . 64 LYS CE . 15036 1 661 . 1 1 64 64 LYS N N 15 128.301 0.10 . 1 . . . . 64 LYS N . 15036 1 662 . 1 1 65 65 ASP H H 1 8.148 0.02 . 1 . . . . 65 ASP H . 15036 1 663 . 1 1 65 65 ASP HA H 1 4.620 0.02 . 1 . . . . 65 ASP HA . 15036 1 664 . 1 1 65 65 ASP HB2 H 1 2.738 0.02 . 2 . . . . 65 ASP HB2 . 15036 1 665 . 1 1 65 65 ASP HB3 H 1 2.637 0.02 . 2 . . . . 65 ASP HB3 . 15036 1 666 . 1 1 65 65 ASP C C 13 178.042 0.10 . 1 . . . . 65 ASP C . 15036 1 667 . 1 1 65 65 ASP CA C 13 56.759 0.10 . 1 . . . . 65 ASP CA . 15036 1 668 . 1 1 65 65 ASP CB C 13 41.314 0.10 . 1 . . . . 65 ASP CB . 15036 1 669 . 1 1 65 65 ASP N N 15 118.161 0.10 . 1 . . . . 65 ASP N . 15036 1 670 . 1 1 66 66 ASN H H 1 7.563 0.02 . 1 . . . . 66 ASN H . 15036 1 671 . 1 1 66 66 ASN HA H 1 4.967 0.02 . 1 . . . . 66 ASN HA . 15036 1 672 . 1 1 66 66 ASN HB2 H 1 2.533 0.02 . 2 . . . . 66 ASN HB2 . 15036 1 673 . 1 1 66 66 ASN HB3 H 1 2.845 0.02 . 2 . . . . 66 ASN HB3 . 15036 1 674 . 1 1 66 66 ASN HD21 H 1 7.004 0.02 . 2 . . . . 66 ASN HD21 . 15036 1 675 . 1 1 66 66 ASN HD22 H 1 8.568 0.02 . 2 . . . . 66 ASN HD22 . 15036 1 676 . 1 1 66 66 ASN C C 13 175.764 0.10 . 1 . . . . 66 ASN C . 15036 1 677 . 1 1 66 66 ASN CA C 13 53.961 0.20 . 1 . . . . 66 ASN CA . 15036 1 678 . 1 1 66 66 ASN CB C 13 41.848 0.10 . 1 . . . . 66 ASN CB . 15036 1 679 . 1 1 66 66 ASN N N 15 115.214 0.10 . 1 . . . . 66 ASN N . 15036 1 680 . 1 1 66 66 ASN ND2 N 15 118.435 0.10 . 1 . . . . 66 ASN ND2 . 15036 1 681 . 1 1 67 67 CYS H H 1 8.110 0.02 . 1 . . . . 67 CYS H . 15036 1 682 . 1 1 67 67 CYS HA H 1 5.478 0.02 . 1 . . . . 67 CYS HA . 15036 1 683 . 1 1 67 67 CYS HB2 H 1 3.720 0.02 . 2 . . . . 67 CYS HB2 . 15036 1 684 . 1 1 67 67 CYS HB3 H 1 2.641 0.02 . 2 . . . . 67 CYS HB3 . 15036 1 685 . 1 1 67 67 CYS C C 13 171.509 0.10 . 1 . . . . 67 CYS C . 15036 1 686 . 1 1 67 67 CYS CA C 13 56.712 0.10 . 1 . . . . 67 CYS CA . 15036 1 687 . 1 1 67 67 CYS CB C 13 49.605 0.10 . 1 . . . . 67 CYS CB . 15036 1 688 . 1 1 67 67 CYS N N 15 119.523 0.10 . 1 . . . . 67 CYS N . 15036 1 689 . 1 1 68 68 GLN H H 1 9.642 0.02 . 1 . . . . 68 GLN H . 15036 1 690 . 1 1 68 68 GLN HA H 1 4.829 0.02 . 1 . . . . 68 GLN HA . 15036 1 691 . 1 1 68 68 GLN HB2 H 1 1.819 0.02 . 2 . . . . 68 GLN HB2 . 15036 1 692 . 1 1 68 68 GLN HB3 H 1 2.063 0.02 . 2 . . . . 68 GLN HB3 . 15036 1 693 . 1 1 68 68 GLN HG2 H 1 2.145 0.02 . 2 . . . . 68 GLN HG2 . 15036 1 694 . 1 1 68 68 GLN HE21 H 1 7.027 0.02 . 2 . . . . 68 GLN HE21 . 15036 1 695 . 1 1 68 68 GLN HE22 H 1 6.912 0.02 . 2 . . . . 68 GLN HE22 . 15036 1 696 . 1 1 68 68 GLN C C 13 172.896 0.10 . 1 . . . . 68 GLN C . 15036 1 697 . 1 1 68 68 GLN CA C 13 53.532 0.10 . 1 . . . . 68 GLN CA . 15036 1 698 . 1 1 68 68 GLN CB C 13 32.314 0.10 . 1 . . . . 68 GLN CB . 15036 1 699 . 1 1 68 68 GLN CG C 13 32.837 0.10 . 1 . . . . 68 GLN CG . 15036 1 700 . 1 1 68 68 GLN N N 15 118.872 0.10 . 1 . . . . 68 GLN N . 15036 1 701 . 1 1 68 68 GLN NE2 N 15 111.945 0.10 . 1 . . . . 68 GLN NE2 . 15036 1 702 . 1 1 69 69 ARG H H 1 8.573 0.02 . 1 . . . . 69 ARG H . 15036 1 703 . 1 1 69 69 ARG HA H 1 5.197 0.02 . 1 . . . . 69 ARG HA . 15036 1 704 . 1 1 69 69 ARG HB2 H 1 1.691 0.02 . 2 . . . . 69 ARG HB2 . 15036 1 705 . 1 1 69 69 ARG HB3 H 1 1.520 0.02 . 2 . . . . 69 ARG HB3 . 15036 1 706 . 1 1 69 69 ARG HG2 H 1 1.537 0.02 . 2 . . . . 69 ARG HG2 . 15036 1 707 . 1 1 69 69 ARG HG3 H 1 1.456 0.02 . 2 . . . . 69 ARG HG3 . 15036 1 708 . 1 1 69 69 ARG C C 13 175.397 0.10 . 1 . . . . 69 ARG C . 15036 1 709 . 1 1 69 69 ARG CA C 13 54.662 0.10 . 1 . . . . 69 ARG CA . 15036 1 710 . 1 1 69 69 ARG CB C 13 32.354 0.10 . 1 . . . . 69 ARG CB . 15036 1 711 . 1 1 69 69 ARG CG C 13 27.395 0.10 . 1 . . . . 69 ARG CG . 15036 1 712 . 1 1 69 69 ARG N N 15 123.546 0.10 . 1 . . . . 69 ARG N . 15036 1 713 . 1 1 70 70 ILE H H 1 9.383 0.02 . 1 . . . . 70 ILE H . 15036 1 714 . 1 1 70 70 ILE HA H 1 4.586 0.02 . 1 . . . . 70 ILE HA . 15036 1 715 . 1 1 70 70 ILE HB H 1 1.810 0.02 . 1 . . . . 70 ILE HB . 15036 1 716 . 1 1 70 70 ILE HG12 H 1 1.427 0.02 . 2 . . . . 70 ILE HG12 . 15036 1 717 . 1 1 70 70 ILE HG13 H 1 1.102 0.02 . 2 . . . . 70 ILE HG13 . 15036 1 718 . 1 1 70 70 ILE HG21 H 1 0.892 0.02 . 1 . . . . 70 ILE HG2 . 15036 1 719 . 1 1 70 70 ILE HG22 H 1 0.892 0.02 . 1 . . . . 70 ILE HG2 . 15036 1 720 . 1 1 70 70 ILE HG23 H 1 0.892 0.02 . 1 . . . . 70 ILE HG2 . 15036 1 721 . 1 1 70 70 ILE HD11 H 1 0.797 0.02 . 1 . . . . 70 ILE HD1 . 15036 1 722 . 1 1 70 70 ILE HD12 H 1 0.797 0.02 . 1 . . . . 70 ILE HD1 . 15036 1 723 . 1 1 70 70 ILE HD13 H 1 0.797 0.02 . 1 . . . . 70 ILE HD1 . 15036 1 724 . 1 1 70 70 ILE C C 13 174.948 0.10 . 1 . . . . 70 ILE C . 15036 1 725 . 1 1 70 70 ILE CA C 13 60.507 0.10 . 1 . . . . 70 ILE CA . 15036 1 726 . 1 1 70 70 ILE CB C 13 41.541 0.20 . 1 . . . . 70 ILE CB . 15036 1 727 . 1 1 70 70 ILE CG1 C 13 27.660 0.10 . 1 . . . . 70 ILE CG1 . 15036 1 728 . 1 1 70 70 ILE CG2 C 13 17.566 0.30 . 1 . . . . 70 ILE CG2 . 15036 1 729 . 1 1 70 70 ILE CD1 C 13 13.697 0.10 . 1 . . . . 70 ILE CD1 . 15036 1 730 . 1 1 70 70 ILE N N 15 127.501 0.10 . 1 . . . . 70 ILE N . 15036 1 731 . 1 1 71 71 PHE H H 1 7.140 0.02 . 1 . . . . 71 PHE H . 15036 1 732 . 1 1 71 71 PHE HA H 1 4.573 0.02 . 1 . . . . 71 PHE HA . 15036 1 733 . 1 1 71 71 PHE HB2 H 1 2.936 0.02 . 2 . . . . 71 PHE HB2 . 15036 1 734 . 1 1 71 71 PHE HD1 H 1 6.396 0.02 . 3 . . . . 71 PHE HD1 . 15036 1 735 . 1 1 71 71 PHE HE1 H 1 6.923 0.02 . 3 . . . . 71 PHE HE1 . 15036 1 736 . 1 1 71 71 PHE HZ H 1 7.140 0.02 . 1 . . . . 71 PHE HZ . 15036 1 737 . 1 1 71 71 PHE C C 13 174.539 0.10 . 1 . . . . 71 PHE C . 15036 1 738 . 1 1 71 71 PHE CA C 13 57.219 0.20 . 1 . . . . 71 PHE CA . 15036 1 739 . 1 1 71 71 PHE CB C 13 39.888 0.10 . 1 . . . . 71 PHE CB . 15036 1 740 . 1 1 71 71 PHE N N 15 128.267 0.10 . 1 . . . . 71 PHE N . 15036 1 741 . 1 1 72 72 LYS H H 1 8.551 0.02 . 1 . . . . 72 LYS H . 15036 1 742 . 1 1 72 72 LYS HA H 1 4.406 0.02 . 1 . . . . 72 LYS HA . 15036 1 743 . 1 1 72 72 LYS HB2 H 1 1.683 0.02 . 2 . . . . 72 LYS HB2 . 15036 1 744 . 1 1 72 72 LYS HG2 H 1 1.384 0.02 . 2 . . . . 72 LYS HG2 . 15036 1 745 . 1 1 72 72 LYS HG3 H 1 1.261 0.02 . 2 . . . . 72 LYS HG3 . 15036 1 746 . 1 1 72 72 LYS HD2 H 1 1.592 0.02 . 2 . . . . 72 LYS HD2 . 15036 1 747 . 1 1 72 72 LYS HE2 H 1 2.825 0.02 . 2 . . . . 72 LYS HE2 . 15036 1 748 . 1 1 72 72 LYS C C 13 175.415 0.10 . 1 . . . . 72 LYS C . 15036 1 749 . 1 1 72 72 LYS CA C 13 53.383 0.10 . 1 . . . . 72 LYS CA . 15036 1 750 . 1 1 72 72 LYS CB C 13 30.926 0.10 . 1 . . . . 72 LYS CB . 15036 1 751 . 1 1 72 72 LYS CG C 13 24.174 0.10 . 1 . . . . 72 LYS CG . 15036 1 752 . 1 1 72 72 LYS CD C 13 28.956 0.10 . 1 . . . . 72 LYS CD . 15036 1 753 . 1 1 72 72 LYS CE C 13 41.875 0.10 . 1 . . . . 72 LYS CE . 15036 1 754 . 1 1 72 72 LYS N N 15 131.485 0.10 . 1 . . . . 72 LYS N . 15036 1 755 . 1 1 73 73 LYS H H 1 8.023 0.02 . 1 . . . . 73 LYS H . 15036 1 756 . 1 1 73 73 LYS HA H 1 3.225 0.02 . 1 . . . . 73 LYS HA . 15036 1 757 . 1 1 73 73 LYS HB2 H 1 1.745 0.02 . 2 . . . . 73 LYS HB2 . 15036 1 758 . 1 1 73 73 LYS HB3 H 1 1.664 0.02 . 2 . . . . 73 LYS HB3 . 15036 1 759 . 1 1 73 73 LYS HG2 H 1 1.408 0.02 . 2 . . . . 73 LYS HG2 . 15036 1 760 . 1 1 73 73 LYS HD2 H 1 1.660 0.02 . 2 . . . . 73 LYS HD2 . 15036 1 761 . 1 1 73 73 LYS HD3 H 1 1.629 0.02 . 2 . . . . 73 LYS HD3 . 15036 1 762 . 1 1 73 73 LYS HE2 H 1 2.883 0.02 . 2 . . . . 73 LYS HE2 . 15036 1 763 . 1 1 73 73 LYS C C 13 178.814 0.10 . 1 . . . . 73 LYS C . 15036 1 764 . 1 1 73 73 LYS CA C 13 59.789 0.20 . 1 . . . . 73 LYS CA . 15036 1 765 . 1 1 73 73 LYS CB C 13 32.429 0.10 . 1 . . . . 73 LYS CB . 15036 1 766 . 1 1 73 73 LYS CG C 13 24.819 0.20 . 1 . . . . 73 LYS CG . 15036 1 767 . 1 1 73 73 LYS CD C 13 27.498 0.10 . 1 . . . . 73 LYS CD . 15036 1 768 . 1 1 73 73 LYS N N 15 127.437 0.10 . 1 . . . . 73 LYS N . 15036 1 769 . 1 1 74 74 GLU H H 1 9.483 0.02 . 1 . . . . 74 GLU H . 15036 1 770 . 1 1 74 74 GLU HA H 1 3.966 0.02 . 1 . . . . 74 GLU HA . 15036 1 771 . 1 1 74 74 GLU HB2 H 1 1.954 0.02 . 2 . . . . 74 GLU HB2 . 15036 1 772 . 1 1 74 74 GLU HB3 H 1 1.890 0.02 . 2 . . . . 74 GLU HB3 . 15036 1 773 . 1 1 74 74 GLU HG2 H 1 2.269 0.02 . 2 . . . . 74 GLU HG2 . 15036 1 774 . 1 1 74 74 GLU C C 13 176.471 0.10 . 1 . . . . 74 GLU C . 15036 1 775 . 1 1 74 74 GLU CA C 13 59.327 0.20 . 1 . . . . 74 GLU CA . 15036 1 776 . 1 1 74 74 GLU CB C 13 28.486 0.10 . 1 . . . . 74 GLU CB . 15036 1 777 . 1 1 74 74 GLU CG C 13 36.385 0.20 . 1 . . . . 74 GLU CG . 15036 1 778 . 1 1 74 74 GLU N N 15 118.351 0.10 . 1 . . . . 74 GLU N . 15036 1 779 . 1 1 75 75 ASP H H 1 6.855 0.02 . 1 . . . . 75 ASP H . 15036 1 780 . 1 1 75 75 ASP HA H 1 4.792 0.02 . 1 . . . . 75 ASP HA . 15036 1 781 . 1 1 75 75 ASP HB2 H 1 2.712 0.02 . 2 . . . . 75 ASP HB2 . 15036 1 782 . 1 1 75 75 ASP HB3 H 1 2.127 0.02 . 2 . . . . 75 ASP HB3 . 15036 1 783 . 1 1 75 75 ASP C C 13 174.470 0.10 . 1 . . . . 75 ASP C . 15036 1 784 . 1 1 75 75 ASP CA C 13 53.517 0.10 . 1 . . . . 75 ASP CA . 15036 1 785 . 1 1 75 75 ASP CB C 13 43.233 0.10 . 1 . . . . 75 ASP CB . 15036 1 786 . 1 1 75 75 ASP N N 15 116.324 0.10 . 1 . . . . 75 ASP N . 15036 1 787 . 1 1 76 76 CYS H H 1 7.921 0.02 . 1 . . . . 76 CYS H . 15036 1 788 . 1 1 76 76 CYS HA H 1 4.040 0.02 . 1 . . . . 76 CYS HA . 15036 1 789 . 1 1 76 76 CYS HB2 H 1 3.126 0.02 . 2 . . . . 76 CYS HB2 . 15036 1 790 . 1 1 76 76 CYS HB3 H 1 2.942 0.02 . 2 . . . . 76 CYS HB3 . 15036 1 791 . 1 1 76 76 CYS C C 13 173.230 0.10 . 1 . . . . 76 CYS C . 15036 1 792 . 1 1 76 76 CYS CA C 13 55.324 0.20 . 1 . . . . 76 CYS CA . 15036 1 793 . 1 1 76 76 CYS CB C 13 36.480 0.20 . 1 . . . . 76 CYS CB . 15036 1 794 . 1 1 76 76 CYS N N 15 116.607 0.10 . 1 . . . . 76 CYS N . 15036 1 795 . 1 1 77 77 LYS H H 1 7.126 0.02 . 1 . . . . 77 LYS H . 15036 1 796 . 1 1 77 77 LYS HA H 1 5.007 0.02 . 1 . . . . 77 LYS HA . 15036 1 797 . 1 1 77 77 LYS HB2 H 1 1.708 0.02 . 2 . . . . 77 LYS HB2 . 15036 1 798 . 1 1 77 77 LYS HG2 H 1 1.226 0.02 . 2 . . . . 77 LYS HG2 . 15036 1 799 . 1 1 77 77 LYS HG3 H 1 1.103 0.02 . 2 . . . . 77 LYS HG3 . 15036 1 800 . 1 1 77 77 LYS HD2 H 1 1.532 0.02 . 2 . . . . 77 LYS HD2 . 15036 1 801 . 1 1 77 77 LYS HE2 H 1 2.817 0.02 . 2 . . . . 77 LYS HE2 . 15036 1 802 . 1 1 77 77 LYS HE3 H 1 2.777 0.02 . 2 . . . . 77 LYS HE3 . 15036 1 803 . 1 1 77 77 LYS C C 13 174.332 0.10 . 1 . . . . 77 LYS C . 15036 1 804 . 1 1 77 77 LYS CA C 13 54.887 0.10 . 1 . . . . 77 LYS CA . 15036 1 805 . 1 1 77 77 LYS CB C 13 36.710 0.10 . 1 . . . . 77 LYS CB . 15036 1 806 . 1 1 77 77 LYS CG C 13 23.973 0.20 . 1 . . . . 77 LYS CG . 15036 1 807 . 1 1 77 77 LYS N N 15 114.129 0.10 . 1 . . . . 77 LYS N . 15036 1 808 . 1 1 78 78 TYR H H 1 9.123 0.02 . 1 . . . . 78 TYR H . 15036 1 809 . 1 1 78 78 TYR HA H 1 5.579 0.02 . 1 . . . . 78 TYR HA . 15036 1 810 . 1 1 78 78 TYR HB2 H 1 3.011 0.02 . 2 . . . . 78 TYR HB2 . 15036 1 811 . 1 1 78 78 TYR HB3 H 1 2.882 0.02 . 2 . . . . 78 TYR HB3 . 15036 1 812 . 1 1 78 78 TYR HD1 H 1 7.323 0.02 . 3 . . . . 78 TYR HD1 . 15036 1 813 . 1 1 78 78 TYR HE1 H 1 6.778 0.02 . 3 . . . . 78 TYR HE1 . 15036 1 814 . 1 1 78 78 TYR C C 13 176.207 0.10 . 1 . . . . 78 TYR C . 15036 1 815 . 1 1 78 78 TYR CA C 13 58.204 0.20 . 1 . . . . 78 TYR CA . 15036 1 816 . 1 1 78 78 TYR CB C 13 42.122 0.10 . 1 . . . . 78 TYR CB . 15036 1 817 . 1 1 78 78 TYR N N 15 119.237 0.10 . 1 . . . . 78 TYR N . 15036 1 818 . 1 1 79 79 ILE H H 1 9.064 0.02 . 1 . . . . 79 ILE H . 15036 1 819 . 1 1 79 79 ILE HA H 1 4.797 0.02 . 1 . . . . 79 ILE HA . 15036 1 820 . 1 1 79 79 ILE HB H 1 1.875 0.02 . 1 . . . . 79 ILE HB . 15036 1 821 . 1 1 79 79 ILE HG12 H 1 1.112 0.02 . 2 . . . . 79 ILE HG12 . 15036 1 822 . 1 1 79 79 ILE HG13 H 1 1.454 0.02 . 2 . . . . 79 ILE HG13 . 15036 1 823 . 1 1 79 79 ILE HG21 H 1 0.926 0.02 . 1 . . . . 79 ILE HG2 . 15036 1 824 . 1 1 79 79 ILE HG22 H 1 0.926 0.02 . 1 . . . . 79 ILE HG2 . 15036 1 825 . 1 1 79 79 ILE HG23 H 1 0.926 0.02 . 1 . . . . 79 ILE HG2 . 15036 1 826 . 1 1 79 79 ILE HD11 H 1 0.830 0.02 . 1 . . . . 79 ILE HD1 . 15036 1 827 . 1 1 79 79 ILE HD12 H 1 0.830 0.02 . 1 . . . . 79 ILE HD1 . 15036 1 828 . 1 1 79 79 ILE HD13 H 1 0.830 0.02 . 1 . . . . 79 ILE HD1 . 15036 1 829 . 1 1 79 79 ILE C C 13 174.623 0.10 . 1 . . . . 79 ILE C . 15036 1 830 . 1 1 79 79 ILE CA C 13 60.395 0.10 . 1 . . . . 79 ILE CA . 15036 1 831 . 1 1 79 79 ILE CB C 13 41.161 0.20 . 1 . . . . 79 ILE CB . 15036 1 832 . 1 1 79 79 ILE CG1 C 13 26.851 0.10 . 1 . . . . 79 ILE CG1 . 15036 1 833 . 1 1 79 79 ILE CG2 C 13 18.008 0.20 . 1 . . . . 79 ILE CG2 . 15036 1 834 . 1 1 79 79 ILE CD1 C 13 13.834 0.20 . 1 . . . . 79 ILE CD1 . 15036 1 835 . 1 1 79 79 ILE N N 15 115.162 0.10 . 1 . . . . 79 ILE N . 15036 1 836 . 1 1 80 80 VAL H H 1 8.548 0.02 . 1 . . . . 80 VAL H . 15036 1 837 . 1 1 80 80 VAL HA H 1 4.869 0.02 . 1 . . . . 80 VAL HA . 15036 1 838 . 1 1 80 80 VAL HB H 1 1.673 0.02 . 1 . . . . 80 VAL HB . 15036 1 839 . 1 1 80 80 VAL HG11 H 1 0.189 0.02 . 2 . . . . 80 VAL HG1 . 15036 1 840 . 1 1 80 80 VAL HG12 H 1 0.189 0.02 . 2 . . . . 80 VAL HG1 . 15036 1 841 . 1 1 80 80 VAL HG13 H 1 0.189 0.02 . 2 . . . . 80 VAL HG1 . 15036 1 842 . 1 1 80 80 VAL HG21 H 1 0.091 0.02 . 2 . . . . 80 VAL HG2 . 15036 1 843 . 1 1 80 80 VAL HG22 H 1 0.091 0.02 . 2 . . . . 80 VAL HG2 . 15036 1 844 . 1 1 80 80 VAL HG23 H 1 0.091 0.02 . 2 . . . . 80 VAL HG2 . 15036 1 845 . 1 1 80 80 VAL C C 13 175.895 0.10 . 1 . . . . 80 VAL C . 15036 1 846 . 1 1 80 80 VAL CA C 13 61.756 0.10 . 1 . . . . 80 VAL CA . 15036 1 847 . 1 1 80 80 VAL CB C 13 32.144 0.10 . 1 . . . . 80 VAL CB . 15036 1 848 . 1 1 80 80 VAL CG1 C 13 21.625 0.10 . 2 . . . . 80 VAL CG1 . 15036 1 849 . 1 1 80 80 VAL CG2 C 13 22.609 0.10 . 2 . . . . 80 VAL CG2 . 15036 1 850 . 1 1 80 80 VAL N N 15 123.888 0.10 . 1 . . . . 80 VAL N . 15036 1 851 . 1 1 81 81 VAL H H 1 8.453 0.02 . 1 . . . . 81 VAL H . 15036 1 852 . 1 1 81 81 VAL HA H 1 5.263 0.02 . 1 . . . . 81 VAL HA . 15036 1 853 . 1 1 81 81 VAL HB H 1 2.321 0.02 . 1 . . . . 81 VAL HB . 15036 1 854 . 1 1 81 81 VAL HG11 H 1 0.780 0.02 . 2 . . . . 81 VAL HG1 . 15036 1 855 . 1 1 81 81 VAL HG12 H 1 0.780 0.02 . 2 . . . . 81 VAL HG1 . 15036 1 856 . 1 1 81 81 VAL HG13 H 1 0.780 0.02 . 2 . . . . 81 VAL HG1 . 15036 1 857 . 1 1 81 81 VAL HG21 H 1 0.794 0.02 . 2 . . . . 81 VAL HG2 . 15036 1 858 . 1 1 81 81 VAL HG22 H 1 0.794 0.02 . 2 . . . . 81 VAL HG2 . 15036 1 859 . 1 1 81 81 VAL HG23 H 1 0.794 0.02 . 2 . . . . 81 VAL HG2 . 15036 1 860 . 1 1 81 81 VAL C C 13 175.769 0.10 . 1 . . . . 81 VAL C . 15036 1 861 . 1 1 81 81 VAL CA C 13 58.475 0.20 . 1 . . . . 81 VAL CA . 15036 1 862 . 1 1 81 81 VAL CB C 13 36.734 0.10 . 1 . . . . 81 VAL CB . 15036 1 863 . 1 1 81 81 VAL CG1 C 13 18.361 0.20 . 2 . . . . 81 VAL CG1 . 15036 1 864 . 1 1 81 81 VAL CG2 C 13 22.015 0.20 . 2 . . . . 81 VAL CG2 . 15036 1 865 . 1 1 81 81 VAL N N 15 119.753 0.10 . 1 . . . . 81 VAL N . 15036 1 866 . 1 1 82 82 GLU H H 1 8.462 0.02 . 1 . . . . 82 GLU H . 15036 1 867 . 1 1 82 82 GLU HA H 1 4.360 0.02 . 1 . . . . 82 GLU HA . 15036 1 868 . 1 1 82 82 GLU HB2 H 1 2.387 0.02 . 2 . . . . 82 GLU HB2 . 15036 1 869 . 1 1 82 82 GLU HB3 H 1 2.224 0.02 . 2 . . . . 82 GLU HB3 . 15036 1 870 . 1 1 82 82 GLU C C 13 178.323 0.10 . 1 . . . . 82 GLU C . 15036 1 871 . 1 1 82 82 GLU CA C 13 58.205 0.10 . 1 . . . . 82 GLU CA . 15036 1 872 . 1 1 82 82 GLU CB C 13 29.794 0.10 . 1 . . . . 82 GLU CB . 15036 1 873 . 1 1 82 82 GLU N N 15 122.424 0.10 . 1 . . . . 82 GLU N . 15036 1 874 . 1 1 83 83 LYS H H 1 8.453 0.02 . 1 . . . . 83 LYS H . 15036 1 875 . 1 1 83 83 LYS HA H 1 3.903 0.02 . 1 . . . . 83 LYS HA . 15036 1 876 . 1 1 83 83 LYS HB2 H 1 1.818 0.02 . 2 . . . . 83 LYS HB2 . 15036 1 877 . 1 1 83 83 LYS HG2 H 1 1.225 0.02 . 2 . . . . 83 LYS HG2 . 15036 1 878 . 1 1 83 83 LYS HG3 H 1 1.015 0.02 . 2 . . . . 83 LYS HG3 . 15036 1 879 . 1 1 83 83 LYS HD2 H 1 1.605 0.02 . 2 . . . . 83 LYS HD2 . 15036 1 880 . 1 1 83 83 LYS HE2 H 1 2.876 0.02 . 2 . . . . 83 LYS HE2 . 15036 1 881 . 1 1 83 83 LYS C C 13 179.048 0.10 . 1 . . . . 83 LYS C . 15036 1 882 . 1 1 83 83 LYS CA C 13 59.889 0.10 . 1 . . . . 83 LYS CA . 15036 1 883 . 1 1 83 83 LYS CB C 13 33.260 0.10 . 1 . . . . 83 LYS CB . 15036 1 884 . 1 1 83 83 LYS N N 15 122.257 0.10 . 1 . . . . 83 LYS N . 15036 1 885 . 1 1 84 84 LYS H H 1 8.332 0.02 . 1 . . . . 84 LYS H . 15036 1 886 . 1 1 84 84 LYS HA H 1 4.237 0.02 . 1 . . . . 84 LYS HA . 15036 1 887 . 1 1 84 84 LYS HB2 H 1 1.875 0.02 . 2 . . . . 84 LYS HB2 . 15036 1 888 . 1 1 84 84 LYS HG2 H 1 1.459 0.02 . 2 . . . . 84 LYS HG2 . 15036 1 889 . 1 1 84 84 LYS HD2 H 1 1.704 0.02 . 2 . . . . 84 LYS HD2 . 15036 1 890 . 1 1 84 84 LYS HE2 H 1 3.030 0.02 . 2 . . . . 84 LYS HE2 . 15036 1 891 . 1 1 84 84 LYS C C 13 176.584 0.10 . 1 . . . . 84 LYS C . 15036 1 892 . 1 1 84 84 LYS CA C 13 57.271 0.10 . 1 . . . . 84 LYS CA . 15036 1 893 . 1 1 84 84 LYS CB C 13 32.801 0.10 . 1 . . . . 84 LYS CB . 15036 1 894 . 1 1 84 84 LYS N N 15 114.690 0.10 . 1 . . . . 84 LYS N . 15036 1 895 . 1 1 85 85 ASP H H 1 6.694 0.02 . 1 . . . . 85 ASP H . 15036 1 896 . 1 1 85 85 ASP HA H 1 4.865 0.02 . 1 . . . . 85 ASP HA . 15036 1 897 . 1 1 85 85 ASP HB2 H 1 2.930 0.02 . 2 . . . . 85 ASP HB2 . 15036 1 898 . 1 1 85 85 ASP HB3 H 1 2.523 0.02 . 2 . . . . 85 ASP HB3 . 15036 1 899 . 1 1 85 85 ASP CA C 13 51.907 0.10 . 1 . . . . 85 ASP CA . 15036 1 900 . 1 1 85 85 ASP CB C 13 41.332 0.20 . 1 . . . . 85 ASP CB . 15036 1 901 . 1 1 85 85 ASP N N 15 114.644 0.10 . 1 . . . . 85 ASP N . 15036 1 902 . 1 1 86 86 PRO HA H 1 4.641 0.02 . 1 . . . . 86 PRO HA . 15036 1 903 . 1 1 86 86 PRO HB2 H 1 2.264 0.02 . 2 . . . . 86 PRO HB2 . 15036 1 904 . 1 1 86 86 PRO HG2 H 1 1.987 0.02 . 2 . . . . 86 PRO HG2 . 15036 1 905 . 1 1 86 86 PRO HG3 H 1 1.916 0.02 . 2 . . . . 86 PRO HG3 . 15036 1 906 . 1 1 86 86 PRO HD2 H 1 3.508 0.02 . 2 . . . . 86 PRO HD2 . 15036 1 907 . 1 1 86 86 PRO HD3 H 1 3.845 0.02 . 2 . . . . 86 PRO HD3 . 15036 1 908 . 1 1 86 86 PRO C C 13 176.385 0.10 . 1 . . . . 86 PRO C . 15036 1 909 . 1 1 86 86 PRO CA C 13 63.812 0.10 . 1 . . . . 86 PRO CA . 15036 1 910 . 1 1 86 86 PRO CB C 13 32.127 0.10 . 1 . . . . 86 PRO CB . 15036 1 911 . 1 1 86 86 PRO CG C 13 27.138 0.20 . 1 . . . . 86 PRO CG . 15036 1 912 . 1 1 86 86 PRO CD C 13 50.782 0.10 . 1 . . . . 86 PRO CD . 15036 1 913 . 1 1 87 87 LYS H H 1 7.671 0.02 . 1 . . . . 87 LYS H . 15036 1 914 . 1 1 87 87 LYS HA H 1 4.255 0.02 . 1 . . . . 87 LYS HA . 15036 1 915 . 1 1 87 87 LYS HB2 H 1 1.887 0.02 . 2 . . . . 87 LYS HB2 . 15036 1 916 . 1 1 87 87 LYS HG2 H 1 1.441 0.02 . 2 . . . . 87 LYS HG2 . 15036 1 917 . 1 1 87 87 LYS HD2 H 1 1.699 0.02 . 2 . . . . 87 LYS HD2 . 15036 1 918 . 1 1 87 87 LYS HE2 H 1 3.024 0.02 . 2 . . . . 87 LYS HE2 . 15036 1 919 . 1 1 87 87 LYS C C 13 177.108 0.10 . 1 . . . . 87 LYS C . 15036 1 920 . 1 1 87 87 LYS CA C 13 56.763 0.10 . 1 . . . . 87 LYS CA . 15036 1 921 . 1 1 87 87 LYS CB C 13 32.165 0.10 . 1 . . . . 87 LYS CB . 15036 1 922 . 1 1 87 87 LYS N N 15 116.523 0.10 . 1 . . . . 87 LYS N . 15036 1 923 . 1 1 88 88 LYS H H 1 8.286 0.02 . 1 . . . . 88 LYS H . 15036 1 924 . 1 1 88 88 LYS HA H 1 4.553 0.02 . 1 . . . . 88 LYS HA . 15036 1 925 . 1 1 88 88 LYS HB2 H 1 1.880 0.02 . 2 . . . . 88 LYS HB2 . 15036 1 926 . 1 1 88 88 LYS HB3 H 1 1.771 0.02 . 2 . . . . 88 LYS HB3 . 15036 1 927 . 1 1 88 88 LYS HG2 H 1 1.402 0.02 . 2 . . . . 88 LYS HG2 . 15036 1 928 . 1 1 88 88 LYS HG3 H 1 1.315 0.02 . 2 . . . . 88 LYS HG3 . 15036 1 929 . 1 1 88 88 LYS HD2 H 1 1.693 0.02 . 2 . . . . 88 LYS HD2 . 15036 1 930 . 1 1 88 88 LYS HE2 H 1 3.023 0.02 . 2 . . . . 88 LYS HE2 . 15036 1 931 . 1 1 88 88 LYS C C 13 175.518 0.10 . 1 . . . . 88 LYS C . 15036 1 932 . 1 1 88 88 LYS CA C 13 55.175 0.10 . 1 . . . . 88 LYS CA . 15036 1 933 . 1 1 88 88 LYS CB C 13 33.735 0.10 . 1 . . . . 88 LYS CB . 15036 1 934 . 1 1 88 88 LYS N N 15 123.556 0.10 . 1 . . . . 88 LYS N . 15036 1 935 . 1 1 89 89 THR H H 1 8.155 0.02 . 1 . . . . 89 THR H . 15036 1 936 . 1 1 89 89 THR HA H 1 4.688 0.02 . 1 . . . . 89 THR HA . 15036 1 937 . 1 1 89 89 THR HB H 1 4.316 0.02 . 1 . . . . 89 THR HB . 15036 1 938 . 1 1 89 89 THR HG21 H 1 1.329 0.02 . 1 . . . . 89 THR HG2 . 15036 1 939 . 1 1 89 89 THR HG22 H 1 1.329 0.02 . 1 . . . . 89 THR HG2 . 15036 1 940 . 1 1 89 89 THR HG23 H 1 1.329 0.02 . 1 . . . . 89 THR HG2 . 15036 1 941 . 1 1 89 89 THR C C 13 175.483 0.10 . 1 . . . . 89 THR C . 15036 1 942 . 1 1 89 89 THR CA C 13 61.971 0.20 . 1 . . . . 89 THR CA . 15036 1 943 . 1 1 89 89 THR CB C 13 70.426 0.10 . 1 . . . . 89 THR CB . 15036 1 944 . 1 1 89 89 THR CG2 C 13 22.696 0.20 . 1 . . . . 89 THR CG2 . 15036 1 945 . 1 1 89 89 THR N N 15 116.450 0.10 . 1 . . . . 89 THR N . 15036 1 946 . 1 1 90 90 CYS H H 1 8.208 0.02 . 1 . . . . 90 CYS H . 15036 1 947 . 1 1 90 90 CYS HA H 1 4.946 0.02 . 1 . . . . 90 CYS HA . 15036 1 948 . 1 1 90 90 CYS HB2 H 1 3.305 0.02 . 2 . . . . 90 CYS HB2 . 15036 1 949 . 1 1 90 90 CYS HB3 H 1 3.087 0.02 . 2 . . . . 90 CYS HB3 . 15036 1 950 . 1 1 90 90 CYS C C 13 173.385 0.10 . 1 . . . . 90 CYS C . 15036 1 951 . 1 1 90 90 CYS CA C 13 54.994 0.20 . 1 . . . . 90 CYS CA . 15036 1 952 . 1 1 90 90 CYS CB C 13 48.014 0.20 . 1 . . . . 90 CYS CB . 15036 1 953 . 1 1 90 90 CYS N N 15 120.848 0.10 . 1 . . . . 90 CYS N . 15036 1 954 . 1 1 91 91 SER H H 1 8.461 0.02 . 1 . . . . 91 SER H . 15036 1 955 . 1 1 91 91 SER HA H 1 4.341 0.02 . 1 . . . . 91 SER HA . 15036 1 956 . 1 1 91 91 SER HB2 H 1 3.846 0.02 . 2 . . . . 91 SER HB2 . 15036 1 957 . 1 1 91 91 SER HB3 H 1 3.820 0.02 . 2 . . . . 91 SER HB3 . 15036 1 958 . 1 1 91 91 SER C C 13 173.681 0.10 . 1 . . . . 91 SER C . 15036 1 959 . 1 1 91 91 SER CA C 13 59.297 0.20 . 1 . . . . 91 SER CA . 15036 1 960 . 1 1 91 91 SER CB C 13 63.575 0.20 . 1 . . . . 91 SER CB . 15036 1 961 . 1 1 91 91 SER N N 15 117.786 0.10 . 1 . . . . 91 SER N . 15036 1 962 . 1 1 92 92 VAL H H 1 8.220 0.02 . 1 . . . . 92 VAL H . 15036 1 963 . 1 1 92 92 VAL HA H 1 4.294 0.02 . 1 . . . . 92 VAL HA . 15036 1 964 . 1 1 92 92 VAL HB H 1 1.844 0.02 . 1 . . . . 92 VAL HB . 15036 1 965 . 1 1 92 92 VAL HG11 H 1 0.591 0.02 . 2 . . . . 92 VAL HG1 . 15036 1 966 . 1 1 92 92 VAL HG12 H 1 0.591 0.02 . 2 . . . . 92 VAL HG1 . 15036 1 967 . 1 1 92 92 VAL HG13 H 1 0.591 0.02 . 2 . . . . 92 VAL HG1 . 15036 1 968 . 1 1 92 92 VAL HG21 H 1 0.003 0.02 . 2 . . . . 92 VAL HG2 . 15036 1 969 . 1 1 92 92 VAL HG22 H 1 0.003 0.02 . 2 . . . . 92 VAL HG2 . 15036 1 970 . 1 1 92 92 VAL HG23 H 1 0.003 0.02 . 2 . . . . 92 VAL HG2 . 15036 1 971 . 1 1 92 92 VAL C C 13 176.423 0.10 . 1 . . . . 92 VAL C . 15036 1 972 . 1 1 92 92 VAL CA C 13 61.337 0.10 . 1 . . . . 92 VAL CA . 15036 1 973 . 1 1 92 92 VAL CB C 13 35.732 0.10 . 1 . . . . 92 VAL CB . 15036 1 974 . 1 1 92 92 VAL CG1 C 13 21.903 0.10 . 2 . . . . 92 VAL CG1 . 15036 1 975 . 1 1 92 92 VAL CG2 C 13 21.694 0.10 . 2 . . . . 92 VAL CG2 . 15036 1 976 . 1 1 92 92 VAL N N 15 124.948 0.10 . 1 . . . . 92 VAL N . 15036 1 977 . 1 1 93 93 SER H H 1 8.686 0.02 . 1 . . . . 93 SER H . 15036 1 978 . 1 1 93 93 SER HA H 1 4.390 0.02 . 1 . . . . 93 SER HA . 15036 1 979 . 1 1 93 93 SER HB2 H 1 4.059 0.02 . 2 . . . . 93 SER HB2 . 15036 1 980 . 1 1 93 93 SER HB3 H 1 3.950 0.02 . 2 . . . . 93 SER HB3 . 15036 1 981 . 1 1 93 93 SER C C 13 174.638 0.10 . 1 . . . . 93 SER C . 15036 1 982 . 1 1 93 93 SER CA C 13 61.115 0.20 . 1 . . . . 93 SER CA . 15036 1 983 . 1 1 93 93 SER CB C 13 63.774 0.20 . 1 . . . . 93 SER CB . 15036 1 984 . 1 1 93 93 SER N N 15 123.206 0.10 . 1 . . . . 93 SER N . 15036 1 985 . 1 1 94 94 GLU H H 1 7.729 0.02 . 1 . . . . 94 GLU H . 15036 1 986 . 1 1 94 94 GLU HA H 1 4.685 0.02 . 1 . . . . 94 GLU HA . 15036 1 987 . 1 1 94 94 GLU HB2 H 1 1.881 0.02 . 2 . . . . 94 GLU HB2 . 15036 1 988 . 1 1 94 94 GLU HG2 H 1 2.129 0.02 . 2 . . . . 94 GLU HG2 . 15036 1 989 . 1 1 94 94 GLU HG3 H 1 2.084 0.02 . 2 . . . . 94 GLU HG3 . 15036 1 990 . 1 1 94 94 GLU C C 13 172.663 0.10 . 1 . . . . 94 GLU C . 15036 1 991 . 1 1 94 94 GLU CA C 13 55.972 0.20 . 1 . . . . 94 GLU CA . 15036 1 992 . 1 1 94 94 GLU CB C 13 33.579 0.10 . 1 . . . . 94 GLU CB . 15036 1 993 . 1 1 94 94 GLU CG C 13 36.037 0.10 . 1 . . . . 94 GLU CG . 15036 1 994 . 1 1 94 94 GLU N N 15 119.813 0.10 . 1 . . . . 94 GLU N . 15036 1 995 . 1 1 95 95 TRP H H 1 8.595 0.02 . 1 . . . . 95 TRP H . 15036 1 996 . 1 1 95 95 TRP HA H 1 5.031 0.02 . 1 . . . . 95 TRP HA . 15036 1 997 . 1 1 95 95 TRP HB2 H 1 2.939 0.02 . 2 . . . . 95 TRP HB2 . 15036 1 998 . 1 1 95 95 TRP HB3 H 1 3.110 0.02 . 2 . . . . 95 TRP HB3 . 15036 1 999 . 1 1 95 95 TRP HD1 H 1 7.147 0.02 . 1 . . . . 95 TRP HD1 . 15036 1 1000 . 1 1 95 95 TRP HE1 H 1 10.196 0.02 . 1 . . . . 95 TRP HE1 . 15036 1 1001 . 1 1 95 95 TRP HE3 H 1 7.305 0.02 . 1 . . . . 95 TRP HE3 . 15036 1 1002 . 1 1 95 95 TRP HZ2 H 1 7.519 0.02 . 1 . . . . 95 TRP HZ2 . 15036 1 1003 . 1 1 95 95 TRP HZ3 H 1 7.169 0.02 . 4 . . . . 95 TRP HZ3 . 15036 1 1004 . 1 1 95 95 TRP HH2 H 1 7.169 0.02 . 4 . . . . 95 TRP HH2 . 15036 1 1005 . 1 1 95 95 TRP C C 13 176.251 0.10 . 1 . . . . 95 TRP C . 15036 1 1006 . 1 1 95 95 TRP CA C 13 56.092 0.20 . 1 . . . . 95 TRP CA . 15036 1 1007 . 1 1 95 95 TRP CB C 13 30.508 0.20 . 1 . . . . 95 TRP CB . 15036 1 1008 . 1 1 95 95 TRP N N 15 124.282 0.10 . 1 . . . . 95 TRP N . 15036 1 1009 . 1 1 96 96 ILE H H 1 9.104 0.02 . 1 . . . . 96 ILE H . 15036 1 1010 . 1 1 96 96 ILE HA H 1 4.616 0.02 . 1 . . . . 96 ILE HA . 15036 1 1011 . 1 1 96 96 ILE HB H 1 1.903 0.02 . 1 . . . . 96 ILE HB . 15036 1 1012 . 1 1 96 96 ILE HG12 H 1 1.435 0.02 . 2 . . . . 96 ILE HG12 . 15036 1 1013 . 1 1 96 96 ILE HG13 H 1 1.165 0.02 . 2 . . . . 96 ILE HG13 . 15036 1 1014 . 1 1 96 96 ILE HG21 H 1 0.892 0.02 . 1 . . . . 96 ILE HG2 . 15036 1 1015 . 1 1 96 96 ILE HG22 H 1 0.892 0.02 . 1 . . . . 96 ILE HG2 . 15036 1 1016 . 1 1 96 96 ILE HG23 H 1 0.892 0.02 . 1 . . . . 96 ILE HG2 . 15036 1 1017 . 1 1 96 96 ILE HD11 H 1 0.779 0.02 . 1 . . . . 96 ILE HD1 . 15036 1 1018 . 1 1 96 96 ILE HD12 H 1 0.779 0.02 . 1 . . . . 96 ILE HD1 . 15036 1 1019 . 1 1 96 96 ILE HD13 H 1 0.779 0.02 . 1 . . . . 96 ILE HD1 . 15036 1 1020 . 1 1 96 96 ILE C C 13 174.951 0.10 . 1 . . . . 96 ILE C . 15036 1 1021 . 1 1 96 96 ILE CA C 13 60.364 0.20 . 1 . . . . 96 ILE CA . 15036 1 1022 . 1 1 96 96 ILE CB C 13 40.924 0.10 . 1 . . . . 96 ILE CB . 15036 1 1023 . 1 1 96 96 ILE CG1 C 13 27.248 0.10 . 1 . . . . 96 ILE CG1 . 15036 1 1024 . 1 1 96 96 ILE CG2 C 13 13.134 0.20 . 1 . . . . 96 ILE CG2 . 15036 1 1025 . 1 1 96 96 ILE CD1 C 13 17.984 0.20 . 1 . . . . 96 ILE CD1 . 15036 1 1026 . 1 1 96 96 ILE N N 15 123.031 0.10 . 1 . . . . 96 ILE N . 15036 1 1027 . 1 1 97 97 ILE H H 1 7.974 0.02 . 1 . . . . 97 ILE H . 15036 1 1028 . 1 1 97 97 ILE HA H 1 4.304 0.02 . 1 . . . . 97 ILE HA . 15036 1 1029 . 1 1 97 97 ILE HB H 1 1.766 0.02 . 1 . . . . 97 ILE HB . 15036 1 1030 . 1 1 97 97 ILE HG12 H 1 1.537 0.02 . 2 . . . . 97 ILE HG12 . 15036 1 1031 . 1 1 97 97 ILE HG13 H 1 1.171 0.02 . 2 . . . . 97 ILE HG13 . 15036 1 1032 . 1 1 97 97 ILE HG21 H 1 0.895 0.02 . 1 . . . . 97 ILE HG2 . 15036 1 1033 . 1 1 97 97 ILE HG22 H 1 0.895 0.02 . 1 . . . . 97 ILE HG2 . 15036 1 1034 . 1 1 97 97 ILE HG23 H 1 0.895 0.02 . 1 . . . . 97 ILE HG2 . 15036 1 1035 . 1 1 97 97 ILE HD11 H 1 0.816 0.02 . 1 . . . . 97 ILE HD1 . 15036 1 1036 . 1 1 97 97 ILE HD12 H 1 0.816 0.02 . 1 . . . . 97 ILE HD1 . 15036 1 1037 . 1 1 97 97 ILE HD13 H 1 0.816 0.02 . 1 . . . . 97 ILE HD1 . 15036 1 1038 . 1 1 97 97 ILE CA C 13 63.192 0.30 . 1 . . . . 97 ILE CA . 15036 1 1039 . 1 1 97 97 ILE CB C 13 40.308 0.20 . 1 . . . . 97 ILE CB . 15036 1 1040 . 1 1 97 97 ILE CG1 C 13 28.717 0.10 . 1 . . . . 97 ILE CG1 . 15036 1 1041 . 1 1 97 97 ILE CG2 C 13 17.415 0.10 . 1 . . . . 97 ILE CG2 . 15036 1 1042 . 1 1 97 97 ILE CD1 C 13 14.225 0.20 . 1 . . . . 97 ILE CD1 . 15036 1 1043 . 1 1 97 97 ILE N N 15 131.126 0.10 . 1 . . . . 97 ILE N . 15036 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 1003 15036 1 1 1004 15036 1 stop_ save_