data_25944 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25944 _Entry.Title ; Solution structure of AVR3a_60-147 from Phytophthora infestans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-08 _Entry.Accession_date 2016-01-08 _Entry.Last_release_date 2016-01-14 _Entry.Original_release_date 2016-01-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Anja Matena . . . . 25944 2 Peter Bayer . . . . 25944 3 Igor Zhukov . . . . 25944 4 Jan Stanek . . . . 25944 5 Wiktor Kozminski . . . . 25944 6 Pieter 'van West' . . . . 25944 7 Stephan Wawra . . . . 25944 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' . 25944 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'all alpha' . 25944 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25944 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 374 25944 '15N chemical shifts' 102 25944 '1H chemical shifts' 649 25944 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 . . 2017-10-11 2016-01-08 update BMRB 'update entry citation' 25944 1 . . 2017-01-05 2016-01-08 original author 'original release' 25944 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NAR 'BMRB Entry Tracking System' 25944 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25944 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28522546 _Citation.Full_citation . _Citation.Title ; The RxLR Motif of the Host Targeting Effector AVR3a of Phytophthora infestans Is Cleaved before Secretion. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plant Cell' _Citation.Journal_name_full 'The Plant cell' _Citation.Journal_volume 29 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1532-298X _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 1184 _Citation.Page_last 1195 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stephan Wawra S. . . . 25944 1 2 Franziska Trusch F. . . . 25944 1 3 Anja Matena A. . . . 25944 1 4 Kostis Apostolakis K. . . . 25944 1 5 Uwe Linne U. . . . 25944 1 6 Igor Zhukov I. . . . 25944 1 7 Jan Stanek J. . . . 25944 1 8 Wiktor Kozminski W. . . . 25944 1 9 Ian Davidson I. . . . 25944 1 10 Chris Secombes C. J. . . 25944 1 11 Peter Bayer P. . . . 25944 1 12 Pieter 'van West' P. . . . 25944 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25944 _Assembly.ID 1 _Assembly.Name 'AVR3a_60-147 from Phytophthora infestans' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25944 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25944 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; PNFNLASLNEEMFNVAALTK RADAKKLAKQLMGNDKLADA AYIWWQHNRVTLDQIDTFLK LASRKTQGAKYNQIYNSYMM HLGLTGYEPNSSSVDKLAAA LE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 88-102 represent a non-native linker to a 6-fold His-tag at the C-terminus of the protein.' _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; N7S (corresponds to N68S) SNP found when sequencing the cDNA ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11511.177 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q572D3 . AVR3a . . . . . . . . . . . . . . 25944 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 1 PRO . 25944 1 2 2 ASN . 25944 1 3 3 PHE . 25944 1 4 4 ASN . 25944 1 5 5 LEU . 25944 1 6 6 ALA . 25944 1 7 7 SER . 25944 1 8 8 LEU . 25944 1 9 9 ASN . 25944 1 10 10 GLU . 25944 1 11 11 GLU . 25944 1 12 12 MET . 25944 1 13 13 PHE . 25944 1 14 14 ASN . 25944 1 15 15 VAL . 25944 1 16 16 ALA . 25944 1 17 17 ALA . 25944 1 18 18 LEU . 25944 1 19 19 THR . 25944 1 20 20 LYS . 25944 1 21 21 ARG . 25944 1 22 22 ALA . 25944 1 23 23 ASP . 25944 1 24 24 ALA . 25944 1 25 25 LYS . 25944 1 26 26 LYS . 25944 1 27 27 LEU . 25944 1 28 28 ALA . 25944 1 29 29 LYS . 25944 1 30 30 GLN . 25944 1 31 31 LEU . 25944 1 32 32 MET . 25944 1 33 33 GLY . 25944 1 34 34 ASN . 25944 1 35 35 ASP . 25944 1 36 36 LYS . 25944 1 37 37 LEU . 25944 1 38 38 ALA . 25944 1 39 39 ASP . 25944 1 40 40 ALA . 25944 1 41 41 ALA . 25944 1 42 42 TYR . 25944 1 43 43 ILE . 25944 1 44 44 TRP . 25944 1 45 45 TRP . 25944 1 46 46 GLN . 25944 1 47 47 HIS . 25944 1 48 48 ASN . 25944 1 49 49 ARG . 25944 1 50 50 VAL . 25944 1 51 51 THR . 25944 1 52 52 LEU . 25944 1 53 53 ASP . 25944 1 54 54 GLN . 25944 1 55 55 ILE . 25944 1 56 56 ASP . 25944 1 57 57 THR . 25944 1 58 58 PHE . 25944 1 59 59 LEU . 25944 1 60 60 LYS . 25944 1 61 61 LEU . 25944 1 62 62 ALA . 25944 1 63 63 SER . 25944 1 64 64 ARG . 25944 1 65 65 LYS . 25944 1 66 66 THR . 25944 1 67 67 GLN . 25944 1 68 68 GLY . 25944 1 69 69 ALA . 25944 1 70 70 LYS . 25944 1 71 71 TYR . 25944 1 72 72 ASN . 25944 1 73 73 GLN . 25944 1 74 74 ILE . 25944 1 75 75 TYR . 25944 1 76 76 ASN . 25944 1 77 77 SER . 25944 1 78 78 TYR . 25944 1 79 79 MET . 25944 1 80 80 MET . 25944 1 81 81 HIS . 25944 1 82 82 LEU . 25944 1 83 83 GLY . 25944 1 84 84 LEU . 25944 1 85 85 THR . 25944 1 86 86 GLY . 25944 1 87 87 TYR . 25944 1 88 88 GLU . 25944 1 89 89 PRO . 25944 1 90 90 ASN . 25944 1 91 91 SER . 25944 1 92 92 SER . 25944 1 93 93 SER . 25944 1 94 94 VAL . 25944 1 95 95 ASP . 25944 1 96 96 LYS . 25944 1 97 97 LEU . 25944 1 98 98 ALA . 25944 1 99 99 ALA . 25944 1 100 100 ALA . 25944 1 101 101 LEU . 25944 1 102 102 GLU . 25944 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 . PRO 1 1 25944 1 . ASN 2 2 25944 1 . PHE 3 3 25944 1 . ASN 4 4 25944 1 . LEU 5 5 25944 1 . ALA 6 6 25944 1 . SER 7 7 25944 1 . LEU 8 8 25944 1 . ASN 9 9 25944 1 . GLU 10 10 25944 1 . GLU 11 11 25944 1 . MET 12 12 25944 1 . PHE 13 13 25944 1 . ASN 14 14 25944 1 . VAL 15 15 25944 1 . ALA 16 16 25944 1 . ALA 17 17 25944 1 . LEU 18 18 25944 1 . THR 19 19 25944 1 . LYS 20 20 25944 1 . ARG 21 21 25944 1 . ALA 22 22 25944 1 . ASP 23 23 25944 1 . ALA 24 24 25944 1 . LYS 25 25 25944 1 . LYS 26 26 25944 1 . LEU 27 27 25944 1 . ALA 28 28 25944 1 . LYS 29 29 25944 1 . GLN 30 30 25944 1 . LEU 31 31 25944 1 . MET 32 32 25944 1 . GLY 33 33 25944 1 . ASN 34 34 25944 1 . ASP 35 35 25944 1 . LYS 36 36 25944 1 . LEU 37 37 25944 1 . ALA 38 38 25944 1 . ASP 39 39 25944 1 . ALA 40 40 25944 1 . ALA 41 41 25944 1 . TYR 42 42 25944 1 . ILE 43 43 25944 1 . TRP 44 44 25944 1 . TRP 45 45 25944 1 . GLN 46 46 25944 1 . HIS 47 47 25944 1 . ASN 48 48 25944 1 . ARG 49 49 25944 1 . VAL 50 50 25944 1 . THR 51 51 25944 1 . LEU 52 52 25944 1 . ASP 53 53 25944 1 . GLN 54 54 25944 1 . ILE 55 55 25944 1 . ASP 56 56 25944 1 . THR 57 57 25944 1 . PHE 58 58 25944 1 . LEU 59 59 25944 1 . LYS 60 60 25944 1 . LEU 61 61 25944 1 . ALA 62 62 25944 1 . SER 63 63 25944 1 . ARG 64 64 25944 1 . LYS 65 65 25944 1 . THR 66 66 25944 1 . GLN 67 67 25944 1 . GLY 68 68 25944 1 . ALA 69 69 25944 1 . LYS 70 70 25944 1 . TYR 71 71 25944 1 . ASN 72 72 25944 1 . GLN 73 73 25944 1 . ILE 74 74 25944 1 . TYR 75 75 25944 1 . ASN 76 76 25944 1 . SER 77 77 25944 1 . TYR 78 78 25944 1 . MET 79 79 25944 1 . MET 80 80 25944 1 . HIS 81 81 25944 1 . LEU 82 82 25944 1 . GLY 83 83 25944 1 . LEU 84 84 25944 1 . THR 85 85 25944 1 . GLY 86 86 25944 1 . TYR 87 87 25944 1 . GLU 88 88 25944 1 . PRO 89 89 25944 1 . ASN 90 90 25944 1 . SER 91 91 25944 1 . SER 92 92 25944 1 . SER 93 93 25944 1 . VAL 94 94 25944 1 . ASP 95 95 25944 1 . LYS 96 96 25944 1 . LEU 97 97 25944 1 . ALA 98 98 25944 1 . ALA 99 99 25944 1 . ALA 100 100 25944 1 . LEU 101 101 25944 1 . GLU 102 102 25944 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 25944 _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 . 4787 organism . 'Phytophthora infestans' 'potato late blight agent' . . Eukaryota . Phytophthora infestans . . . . . . . . . . . . . 25944 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 25944 _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' . . . Escherichia coli . . . . . . pET21b . . . 25944 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_all_samples _Sample.Sf_category sample _Sample.Sf_framecode all_samples _Sample.Entry_ID 25944 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25944 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25944 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25944 1 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 25944 1 5 entity 'natural abundance' . . 1 $entity . . 300 . . uM . . . . 25944 1 stop_ save_ save_all_samples2 _Sample.Sf_category sample _Sample.Sf_framecode all_samples2 _Sample.Entry_ID 25944 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25944 2 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25944 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25944 2 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 25944 2 5 entity '[U-100% 15N]' . . 1 $entity . . 300 . . uM . . . . 25944 2 stop_ save_ save_all_samples3 _Sample.Sf_category sample _Sample.Sf_framecode all_samples3 _Sample.Entry_ID 25944 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25944 3 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25944 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25944 3 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 25944 3 5 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 300 . . uM . . . . 25944 3 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 25944 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 25944 1 pH 6.5 . pH 25944 1 pressure 1 . atm 25944 1 temperature 298 . K 25944 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25944 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25944 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25944 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 25944 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25944 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25944 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25944 1 2 spectrometer_2 Varian VNMRS . 700 . . . 25944 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 25944 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25944 1 2 '2D 1H-1H COSY' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25944 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25944 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25944 1 5 '3D HCCH-COSY' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25944 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25944 1 7 '3D HBHANH' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25944 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25944 1 9 13C-NOESY-HSQC no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25944 1 10 15N-NOESY-HSQC no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25944 1 11 '3D HNCO' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25944 1 12 '4D HNCOCA' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25944 1 13 '4D HNCACO' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25944 1 14 '4D HBHACBCANH' no . . . . . . . . . . 1 $all_samples isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25944 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 25944 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25944 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25944 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25944 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 25944 _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 2 '2D 1H-1H COSY' . . . 25944 1 3 '2D 1H-1H TOCSY' . . . 25944 1 4 '2D 1H-1H NOESY' . . . 25944 1 5 '3D HCCH-COSY' . . . 25944 1 6 '3D HCCH-TOCSY' . . . 25944 1 7 '3D HBHANH' . . . 25944 1 8 '3D HBHA(CO)NH' . . . 25944 1 11 '3D HNCO' . . . 25944 1 12 '4D HNCOCA' . . . 25944 1 13 '4D HNCACO' . . . 25944 1 14 '4D HBHACBCANH' . . . 25944 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HA H 1 4.340 0.04 . . . . . A 61 PRO HA . 25944 1 2 . 1 1 1 1 PRO HB2 H 1 1.770 0.04 . . . . . A 61 PRO HB2 . 25944 1 3 . 1 1 1 1 PRO HB3 H 1 2.320 0.04 . . . . . A 61 PRO HB3 . 25944 1 4 . 1 1 1 1 PRO HG2 H 1 2.010 0.04 . . . . . A 61 PRO HG2 . 25944 1 5 . 1 1 1 1 PRO HG3 H 1 1.920 0.04 . . . . . A 61 PRO HG3 . 25944 1 6 . 1 1 1 1 PRO HD2 H 1 3.400 0.04 . . . . . A 61 PRO HD2 . 25944 1 7 . 1 1 1 1 PRO HD3 H 1 3.360 0.04 . . . . . A 61 PRO HD3 . 25944 1 8 . 1 1 1 1 PRO C C 13 176.400 0.45 . . . . . A 61 PRO C . 25944 1 9 . 1 1 1 1 PRO CA C 13 63.250 0.45 . . . . . A 61 PRO CA . 25944 1 10 . 1 1 1 1 PRO CB C 13 32.400 0.45 . . . . . A 61 PRO CB . 25944 1 11 . 1 1 1 1 PRO CG C 13 26.600 0.45 . . . . . A 61 PRO CG . 25944 1 12 . 1 1 1 1 PRO CD C 13 49.100 0.45 . . . . . A 61 PRO CD . 25944 1 13 . 1 1 2 2 ASN H H 1 8.331 0.04 . . . . . A 62 ASN H . 25944 1 14 . 1 1 2 2 ASN HA H 1 4.638 0.04 . . . . . A 62 ASN HA . 25944 1 15 . 1 1 2 2 ASN HB2 H 1 2.713 0.04 . . . . . A 62 ASN HB2 . 25944 1 16 . 1 1 2 2 ASN HB3 H 1 2.713 0.04 . . . . . A 62 ASN HB3 . 25944 1 17 . 1 1 2 2 ASN C C 13 174.541 0.45 . . . . . A 62 ASN C . 25944 1 18 . 1 1 2 2 ASN CA C 13 53.194 0.45 . . . . . A 62 ASN CA . 25944 1 19 . 1 1 2 2 ASN CB C 13 39.191 0.45 . . . . . A 62 ASN CB . 25944 1 20 . 1 1 2 2 ASN N N 15 118.138 0.05 . . . . . A 62 ASN N . 25944 1 21 . 1 1 3 3 PHE H H 1 8.358 0.04 . . . . . A 63 PHE H . 25944 1 22 . 1 1 3 3 PHE HA H 1 4.418 0.04 . . . . . A 63 PHE HA . 25944 1 23 . 1 1 3 3 PHE HB2 H 1 3.032 0.04 . . . . . A 63 PHE HB2 . 25944 1 24 . 1 1 3 3 PHE HB3 H 1 2.930 0.04 . . . . . A 63 PHE HB3 . 25944 1 25 . 1 1 3 3 PHE HD1 H 1 7.151 0.01 . . . . . A 63 PHE HD1 . 25944 1 26 . 1 1 3 3 PHE HD2 H 1 7.151 0.01 . . . . . A 63 PHE HD2 . 25944 1 27 . 1 1 3 3 PHE HE1 H 1 7.238 0.04 . . . . . A 63 PHE HE1 . 25944 1 28 . 1 1 3 3 PHE HE2 H 1 7.238 0.04 . . . . . A 63 PHE HE2 . 25944 1 29 . 1 1 3 3 PHE HZ H 1 7.196 0.01 . . . . . A 63 PHE HZ . 25944 1 30 . 1 1 3 3 PHE C C 13 174.939 0.45 . . . . . A 63 PHE C . 25944 1 31 . 1 1 3 3 PHE CA C 13 57.817 0.45 . . . . . A 63 PHE CA . 25944 1 32 . 1 1 3 3 PHE CB C 13 39.377 0.45 . . . . . A 63 PHE CB . 25944 1 33 . 1 1 3 3 PHE N N 15 121.233 0.05 . . . . . A 63 PHE N . 25944 1 34 . 1 1 4 4 ASN H H 1 8.333 0.04 . . . . . A 64 ASN H . 25944 1 35 . 1 1 4 4 ASN HA H 1 4.614 0.04 . . . . . A 64 ASN HA . 25944 1 36 . 1 1 4 4 ASN HB2 H 1 2.727 0.04 . . . . . A 64 ASN HB2 . 25944 1 37 . 1 1 4 4 ASN HB3 H 1 2.727 0.04 . . . . . A 64 ASN HB3 . 25944 1 38 . 1 1 4 4 ASN C C 13 175.107 0.45 . . . . . A 64 ASN C . 25944 1 39 . 1 1 4 4 ASN CA C 13 52.869 0.45 . . . . . A 64 ASN CA . 25944 1 40 . 1 1 4 4 ASN CB C 13 38.853 0.45 . . . . . A 64 ASN CB . 25944 1 41 . 1 1 4 4 ASN N N 15 121.091 0.05 . . . . . A 64 ASN N . 25944 1 42 . 1 1 5 5 LEU H H 1 8.259 0.04 . . . . . A 65 LEU H . 25944 1 43 . 1 1 5 5 LEU HA H 1 4.597 0.04 . . . . . A 65 LEU HA . 25944 1 44 . 1 1 5 5 LEU HB2 H 1 1.594 0.04 . . . . . A 65 LEU HB2 . 25944 1 45 . 1 1 5 5 LEU HB3 H 1 1.594 0.04 . . . . . A 65 LEU HB3 . 25944 1 46 . 1 1 5 5 LEU HD11 H 1 0.860 0.04 . . . . . A 65 LEU HD11 . 25944 1 47 . 1 1 5 5 LEU HD12 H 1 0.860 0.04 . . . . . A 65 LEU HD12 . 25944 1 48 . 1 1 5 5 LEU HD13 H 1 0.860 0.04 . . . . . A 65 LEU HD13 . 25944 1 49 . 1 1 5 5 LEU C C 13 177.372 0.45 . . . . . A 65 LEU C . 25944 1 50 . 1 1 5 5 LEU CA C 13 56.030 0.45 . . . . . A 65 LEU CA . 25944 1 51 . 1 1 5 5 LEU CB C 13 41.775 0.45 . . . . . A 65 LEU CB . 25944 1 52 . 1 1 5 5 LEU CD1 C 13 24.510 0.45 . . . . . A 65 LEU CD1 . 25944 1 53 . 1 1 5 5 LEU CD2 C 13 23.969 0.45 . . . . . A 65 LEU CD2 . 25944 1 54 . 1 1 5 5 LEU N N 15 123.882 0.02 . . . . . A 65 LEU N . 25944 1 55 . 1 1 6 6 ALA H H 1 8.132 0.01 . . . . . A 66 ALA H . 25944 1 56 . 1 1 6 6 ALA HA H 1 4.213 0.04 . . . . . A 66 ALA HA . 25944 1 57 . 1 1 6 6 ALA HB1 H 1 1.352 0.01 . . . . . A 66 ALA HB1 . 25944 1 58 . 1 1 6 6 ALA HB2 H 1 1.352 0.01 . . . . . A 66 ALA HB2 . 25944 1 59 . 1 1 6 6 ALA HB3 H 1 1.352 0.01 . . . . . A 66 ALA HB3 . 25944 1 60 . 1 1 6 6 ALA C C 13 178.088 0.45 . . . . . A 66 ALA C . 25944 1 61 . 1 1 6 6 ALA CA C 13 53.201 0.45 . . . . . A 66 ALA CA . 25944 1 62 . 1 1 6 6 ALA CB C 13 18.533 0.45 . . . . . A 66 ALA CB . 25944 1 63 . 1 1 6 6 ALA N N 15 122.630 0.07 . . . . . A 66 ALA N . 25944 1 64 . 1 1 7 7 SER H H 1 7.866 0.02 . . . . . A 67 SER H . 25944 1 65 . 1 1 7 7 SER HA H 1 4.333 0.01 . . . . . A 67 SER HA . 25944 1 66 . 1 1 7 7 SER HB2 H 1 3.802 0.04 . . . . . A 67 SER HB2 . 25944 1 67 . 1 1 7 7 SER HB3 H 1 3.802 0.04 . . . . . A 67 SER HB3 . 25944 1 68 . 1 1 7 7 SER C C 13 174.347 0.45 . . . . . A 67 SER C . 25944 1 69 . 1 1 7 7 SER CA C 13 58.244 0.45 . . . . . A 67 SER CA . 25944 1 70 . 1 1 7 7 SER CB C 13 63.655 0.45 . . . . . A 67 SER CB . 25944 1 71 . 1 1 7 7 SER N N 15 113.309 0.01 . . . . . A 67 SER N . 25944 1 72 . 1 1 8 8 LEU H H 1 7.786 0.04 . . . . . A 68 LEU H . 25944 1 73 . 1 1 8 8 LEU HA H 1 4.156 0.03 . . . . . A 68 LEU HA . 25944 1 74 . 1 1 8 8 LEU HB2 H 1 1.447 0.03 . . . . . A 68 LEU HB2 . 25944 1 75 . 1 1 8 8 LEU HB3 H 1 1.447 0.03 . . . . . A 68 LEU HB3 . 25944 1 76 . 1 1 8 8 LEU HG H 1 1.525 0.04 . . . . . A 68 LEU HG . 25944 1 77 . 1 1 8 8 LEU HD11 H 1 0.735 0.04 . . . . . A 68 LEU HD11 . 25944 1 78 . 1 1 8 8 LEU HD12 H 1 0.735 0.04 . . . . . A 68 LEU HD12 . 25944 1 79 . 1 1 8 8 LEU HD13 H 1 0.735 0.04 . . . . . A 68 LEU HD13 . 25944 1 80 . 1 1 8 8 LEU C C 13 176.617 0.45 . . . . . A 68 LEU C . 25944 1 81 . 1 1 8 8 LEU CA C 13 55.368 0.45 . . . . . A 68 LEU CA . 25944 1 82 . 1 1 8 8 LEU CB C 13 42.800 0.01 . . . . . A 68 LEU CB . 25944 1 83 . 1 1 8 8 LEU CD1 C 13 24.000 0.45 . . . . . A 68 LEU CD1 . 25944 1 84 . 1 1 8 8 LEU CD2 C 13 25.000 0.45 . . . . . A 68 LEU CD2 . 25944 1 85 . 1 1 8 8 LEU N N 15 123.236 0.01 . . . . . A 68 LEU N . 25944 1 86 . 1 1 9 9 ASN H H 1 8.127 0.01 . . . . . A 69 ASN H . 25944 1 87 . 1 1 9 9 ASN HA H 1 4.502 0.01 . . . . . A 69 ASN HA . 25944 1 88 . 1 1 9 9 ASN HB2 H 1 2.686 0.02 . . . . . A 69 ASN HB2 . 25944 1 89 . 1 1 9 9 ASN HB3 H 1 2.629 0.04 . . . . . A 69 ASN HB3 . 25944 1 90 . 1 1 9 9 ASN HD21 H 1 6.843 0.01 . . . . . A 69 ASN HD21 . 25944 1 91 . 1 1 9 9 ASN HD22 H 1 7.477 0.04 . . . . . A 69 ASN HD22 . 25944 1 92 . 1 1 9 9 ASN C C 13 175.557 0.45 . . . . . A 69 ASN C . 25944 1 93 . 1 1 9 9 ASN CA C 13 52.922 0.45 . . . . . A 69 ASN CA . 25944 1 94 . 1 1 9 9 ASN CB C 13 38.529 0.45 . . . . . A 69 ASN CB . 25944 1 95 . 1 1 9 9 ASN N N 15 120.087 0.07 . . . . . A 69 ASN N . 25944 1 96 . 1 1 10 10 GLU H H 1 8.479 0.02 . . . . . A 70 GLU H . 25944 1 97 . 1 1 10 10 GLU HA H 1 3.419 0.02 . . . . . A 70 GLU HA . 25944 1 98 . 1 1 10 10 GLU HB2 H 1 1.873 0.02 . . . . . A 70 GLU HB2 . 25944 1 99 . 1 1 10 10 GLU HB3 H 1 1.927 0.02 . . . . . A 70 GLU HB3 . 25944 1 100 . 1 1 10 10 GLU HG2 H 1 2.260 0.03 . . . . . A 70 GLU HG2 . 25944 1 101 . 1 1 10 10 GLU HG3 H 1 2.229 0.04 . . . . . A 70 GLU HG3 . 25944 1 102 . 1 1 10 10 GLU C C 13 176.176 0.45 . . . . . A 70 GLU C . 25944 1 103 . 1 1 10 10 GLU CA C 13 58.261 0.45 . . . . . A 70 GLU CA . 25944 1 104 . 1 1 10 10 GLU CB C 13 29.371 0.45 . . . . . A 70 GLU CB . 25944 1 105 . 1 1 10 10 GLU CG C 13 36.884 0.45 . . . . . A 70 GLU CG . 25944 1 106 . 1 1 10 10 GLU N N 15 121.943 0.09 . . . . . A 70 GLU N . 25944 1 107 . 1 1 11 11 GLU H H 1 7.876 0.04 . . . . . A 71 GLU H . 25944 1 108 . 1 1 11 11 GLU HA H 1 3.893 0.01 . . . . . A 71 GLU HA . 25944 1 109 . 1 1 11 11 GLU HB2 H 1 1.828 0.04 . . . . . A 71 GLU HB2 . 25944 1 110 . 1 1 11 11 GLU HB3 H 1 1.873 0.02 . . . . . A 71 GLU HB3 . 25944 1 111 . 1 1 11 11 GLU HG2 H 1 2.266 0.04 . . . . . A 71 GLU HG2 . 25944 1 112 . 1 1 11 11 GLU HG3 H 1 2.188 0.04 . . . . . A 71 GLU HG3 . 25944 1 113 . 1 1 11 11 GLU C C 13 178.292 0.45 . . . . . A 71 GLU C . 25944 1 114 . 1 1 11 11 GLU CA C 13 57.418 0.45 . . . . . A 71 GLU CA . 25944 1 115 . 1 1 11 11 GLU CB C 13 28.967 0.45 . . . . . A 71 GLU CB . 25944 1 116 . 1 1 11 11 GLU CG C 13 36.159 0.45 . . . . . A 71 GLU CG . 25944 1 117 . 1 1 11 11 GLU N N 15 117.932 0.09 . . . . . A 71 GLU N . 25944 1 118 . 1 1 12 12 MET H H 1 7.524 0.01 . . . . . A 72 MET H . 25944 1 119 . 1 1 12 12 MET HA H 1 3.810 0.04 . . . . . A 72 MET HA . 25944 1 120 . 1 1 12 12 MET HB2 H 1 1.334 0.01 . . . . . A 72 MET HB2 . 25944 1 121 . 1 1 12 12 MET HB3 H 1 1.692 0.04 . . . . . A 72 MET HB3 . 25944 1 122 . 1 1 12 12 MET HG2 H 1 1.762 0.04 . . . . . A 72 MET HG2 . 25944 1 123 . 1 1 12 12 MET HG3 H 1 1.762 0.04 . . . . . A 72 MET HG3 . 25944 1 124 . 1 1 12 12 MET C C 13 175.419 0.45 . . . . . A 72 MET C . 25944 1 125 . 1 1 12 12 MET CA C 13 57.481 0.45 . . . . . A 72 MET CA . 25944 1 126 . 1 1 12 12 MET CB C 13 32.160 0.45 . . . . . A 72 MET CB . 25944 1 127 . 1 1 12 12 MET CG C 13 29.000 0.45 . . . . . A 72 MET CG . 25944 1 128 . 1 1 12 12 MET N N 15 118.969 0.20 . . . . . A 72 MET N . 25944 1 129 . 1 1 13 13 PHE H H 1 6.975 0.01 . . . . . A 73 PHE H . 25944 1 130 . 1 1 13 13 PHE HA H 1 4.463 0.01 . . . . . A 73 PHE HA . 25944 1 131 . 1 1 13 13 PHE HB2 H 1 2.985 0.01 . . . . . A 73 PHE HB2 . 25944 1 132 . 1 1 13 13 PHE HB3 H 1 2.985 0.01 . . . . . A 73 PHE HB3 . 25944 1 133 . 1 1 13 13 PHE HD1 H 1 6.781 0.04 . . . . . A 73 PHE HD1 . 25944 1 134 . 1 1 13 13 PHE HD2 H 1 6.781 0.04 . . . . . A 73 PHE HD2 . 25944 1 135 . 1 1 13 13 PHE HE1 H 1 6.510 0.04 . . . . . A 73 PHE HE1 . 25944 1 136 . 1 1 13 13 PHE HE2 H 1 6.510 0.04 . . . . . A 73 PHE HE2 . 25944 1 137 . 1 1 13 13 PHE HZ H 1 6.868 0.04 . . . . . A 73 PHE HZ . 25944 1 138 . 1 1 13 13 PHE C C 13 176.009 0.45 . . . . . A 73 PHE C . 25944 1 139 . 1 1 13 13 PHE CA C 13 54.932 0.45 . . . . . A 73 PHE CA . 25944 1 140 . 1 1 13 13 PHE CB C 13 37.856 0.45 . . . . . A 73 PHE CB . 25944 1 141 . 1 1 13 13 PHE N N 15 113.294 0.08 . . . . . A 73 PHE N . 25944 1 142 . 1 1 14 14 ASN H H 1 7.211 0.04 . . . . . A 74 ASN H . 25944 1 143 . 1 1 14 14 ASN HA H 1 4.778 0.04 . . . . . A 74 ASN HA . 25944 1 144 . 1 1 14 14 ASN HB2 H 1 3.152 0.04 . . . . . A 74 ASN HB2 . 25944 1 145 . 1 1 14 14 ASN HB3 H 1 2.620 0.04 . . . . . A 74 ASN HB3 . 25944 1 146 . 1 1 14 14 ASN C C 13 176.202 0.45 . . . . . A 74 ASN C . 25944 1 147 . 1 1 14 14 ASN CA C 13 52.333 0.45 . . . . . A 74 ASN CA . 25944 1 148 . 1 1 14 14 ASN CB C 13 36.421 0.45 . . . . . A 74 ASN CB . 25944 1 149 . 1 1 14 14 ASN N N 15 116.706 0.06 . . . . . A 74 ASN N . 25944 1 150 . 1 1 15 15 VAL H H 1 7.971 0.04 . . . . . A 75 VAL H . 25944 1 151 . 1 1 15 15 VAL HA H 1 3.642 0.04 . . . . . A 75 VAL HA . 25944 1 152 . 1 1 15 15 VAL HB H 1 1.737 0.04 . . . . . A 75 VAL HB . 25944 1 153 . 1 1 15 15 VAL HG11 H 1 0.190 0.04 . . . . . A 75 VAL HG11 . 25944 1 154 . 1 1 15 15 VAL HG12 H 1 0.190 0.04 . . . . . A 75 VAL HG12 . 25944 1 155 . 1 1 15 15 VAL HG13 H 1 0.190 0.04 . . . . . A 75 VAL HG13 . 25944 1 156 . 1 1 15 15 VAL HG21 H 1 0.430 0.01 . . . . . A 75 VAL HG21 . 25944 1 157 . 1 1 15 15 VAL HG22 H 1 0.430 0.01 . . . . . A 75 VAL HG22 . 25944 1 158 . 1 1 15 15 VAL HG23 H 1 0.430 0.01 . . . . . A 75 VAL HG23 . 25944 1 159 . 1 1 15 15 VAL C C 13 177.523 0.45 . . . . . A 75 VAL C . 25944 1 160 . 1 1 15 15 VAL CA C 13 63.407 0.45 . . . . . A 75 VAL CA . 25944 1 161 . 1 1 15 15 VAL CB C 13 31.120 0.45 . . . . . A 75 VAL CB . 25944 1 162 . 1 1 15 15 VAL CG1 C 13 21.336 0.45 . . . . . A 75 VAL CG1 . 25944 1 163 . 1 1 15 15 VAL CG2 C 13 17.500 0.45 . . . . . A 75 VAL CG2 . 25944 1 164 . 1 1 15 15 VAL N N 15 121.352 0.02 . . . . . A 75 VAL N . 25944 1 165 . 1 1 16 16 ALA H H 1 8.414 0.04 . . . . . A 76 ALA H . 25944 1 166 . 1 1 16 16 ALA HA H 1 4.170 0.04 . . . . . A 76 ALA HA . 25944 1 167 . 1 1 16 16 ALA HB1 H 1 1.427 0.04 . . . . . A 76 ALA HB1 . 25944 1 168 . 1 1 16 16 ALA HB2 H 1 1.427 0.04 . . . . . A 76 ALA HB2 . 25944 1 169 . 1 1 16 16 ALA HB3 H 1 1.427 0.04 . . . . . A 76 ALA HB3 . 25944 1 170 . 1 1 16 16 ALA C C 13 178.288 0.45 . . . . . A 76 ALA C . 25944 1 171 . 1 1 16 16 ALA CA C 13 54.170 0.45 . . . . . A 76 ALA CA . 25944 1 172 . 1 1 16 16 ALA CB C 13 17.945 0.45 . . . . . A 76 ALA CB . 25944 1 173 . 1 1 16 16 ALA N N 15 124.345 0.03 . . . . . A 76 ALA N . 25944 1 174 . 1 1 17 17 ALA H H 1 7.099 0.04 . . . . . A 77 ALA H . 25944 1 175 . 1 1 17 17 ALA HA H 1 4.309 0.04 . . . . . A 77 ALA HA . 25944 1 176 . 1 1 17 17 ALA HB1 H 1 1.383 0.03 . . . . . A 77 ALA HB1 . 25944 1 177 . 1 1 17 17 ALA HB2 H 1 1.383 0.03 . . . . . A 77 ALA HB2 . 25944 1 178 . 1 1 17 17 ALA HB3 H 1 1.383 0.03 . . . . . A 77 ALA HB3 . 25944 1 179 . 1 1 17 17 ALA C C 13 177.660 0.45 . . . . . A 77 ALA C . 25944 1 180 . 1 1 17 17 ALA CA C 13 51.666 0.45 . . . . . A 77 ALA CA . 25944 1 181 . 1 1 17 17 ALA CB C 13 19.331 0.45 . . . . . A 77 ALA CB . 25944 1 182 . 1 1 17 17 ALA N N 15 116.960 0.04 . . . . . A 77 ALA N . 25944 1 183 . 1 1 18 18 LEU H H 1 7.256 0.01 . . . . . A 78 LEU H . 25944 1 184 . 1 1 18 18 LEU HA H 1 4.479 0.04 . . . . . A 78 LEU HA . 25944 1 185 . 1 1 18 18 LEU HB2 H 1 1.990 0.04 . . . . . A 78 LEU HB2 . 25944 1 186 . 1 1 18 18 LEU HB3 H 1 1.990 0.04 . . . . . A 78 LEU HB3 . 25944 1 187 . 1 1 18 18 LEU HG H 1 1.682 0.04 . . . . . A 78 LEU HG . 25944 1 188 . 1 1 18 18 LEU HD11 H 1 0.827 0.04 . . . . . A 78 LEU HD11 . 25944 1 189 . 1 1 18 18 LEU HD12 H 1 0.827 0.04 . . . . . A 78 LEU HD12 . 25944 1 190 . 1 1 18 18 LEU HD13 H 1 0.827 0.04 . . . . . A 78 LEU HD13 . 25944 1 191 . 1 1 18 18 LEU HD21 H 1 0.782 0.04 . . . . . A 78 LEU HD21 . 25944 1 192 . 1 1 18 18 LEU HD22 H 1 0.782 0.04 . . . . . A 78 LEU HD22 . 25944 1 193 . 1 1 18 18 LEU HD23 H 1 0.782 0.04 . . . . . A 78 LEU HD23 . 25944 1 194 . 1 1 18 18 LEU C C 13 176.424 0.45 . . . . . A 78 LEU C . 25944 1 195 . 1 1 18 18 LEU CA C 13 54.960 0.45 . . . . . A 78 LEU CA . 25944 1 196 . 1 1 18 18 LEU CB C 13 42.000 0.45 . . . . . A 78 LEU CB . 25944 1 197 . 1 1 18 18 LEU CG C 13 26.200 0.45 . . . . . A 78 LEU CG . 25944 1 198 . 1 1 18 18 LEU CD1 C 13 23.500 0.45 . . . . . A 78 LEU CD1 . 25944 1 199 . 1 1 18 18 LEU CD2 C 13 26.800 0.45 . . . . . A 78 LEU CD2 . 25944 1 200 . 1 1 18 18 LEU N N 15 119.640 0.04 . . . . . A 78 LEU N . 25944 1 201 . 1 1 19 19 THR H H 1 8.319 0.04 . . . . . A 79 THR H . 25944 1 202 . 1 1 19 19 THR HA H 1 4.389 0.04 . . . . . A 79 THR HA . 25944 1 203 . 1 1 19 19 THR HB H 1 4.304 0.04 . . . . . A 79 THR HB . 25944 1 204 . 1 1 19 19 THR HG21 H 1 1.134 0.04 . . . . . A 79 THR HG21 . 25944 1 205 . 1 1 19 19 THR HG22 H 1 1.134 0.04 . . . . . A 79 THR HG22 . 25944 1 206 . 1 1 19 19 THR HG23 H 1 1.134 0.04 . . . . . A 79 THR HG23 . 25944 1 207 . 1 1 19 19 THR C C 13 174.905 0.45 . . . . . A 79 THR C . 25944 1 208 . 1 1 19 19 THR CA C 13 61.970 0.45 . . . . . A 79 THR CA . 25944 1 209 . 1 1 19 19 THR CB C 13 70.500 0.45 . . . . . A 79 THR CB . 25944 1 210 . 1 1 19 19 THR CG2 C 13 21.640 0.45 . . . . . A 79 THR CG2 . 25944 1 211 . 1 1 19 19 THR N N 15 110.240 0.05 . . . . . A 79 THR N . 25944 1 212 . 1 1 20 20 LYS H H 1 7.854 0.01 . . . . . A 80 LYS H . 25944 1 213 . 1 1 20 20 LYS HA H 1 4.724 0.04 . . . . . A 80 LYS HA . 25944 1 214 . 1 1 20 20 LYS HB2 H 1 1.863 0.04 . . . . . A 80 LYS HB2 . 25944 1 215 . 1 1 20 20 LYS HB3 H 1 1.863 0.04 . . . . . A 80 LYS HB3 . 25944 1 216 . 1 1 20 20 LYS C C 13 177.100 0.45 . . . . . A 80 LYS C . 25944 1 217 . 1 1 20 20 LYS CA C 13 54.890 0.45 . . . . . A 80 LYS CA . 25944 1 218 . 1 1 20 20 LYS CB C 13 33.700 0.45 . . . . . A 80 LYS CB . 25944 1 219 . 1 1 20 20 LYS N N 15 121.645 0.05 . . . . . A 80 LYS N . 25944 1 220 . 1 1 21 21 ARG H H 1 9.171 0.01 . . . . . A 81 ARG H . 25944 1 221 . 1 1 21 21 ARG HA H 1 3.831 0.04 . . . . . A 81 ARG HA . 25944 1 222 . 1 1 21 21 ARG HB2 H 1 1.947 0.04 . . . . . A 81 ARG HB2 . 25944 1 223 . 1 1 21 21 ARG HB3 H 1 1.735 0.04 . . . . . A 81 ARG HB3 . 25944 1 224 . 1 1 21 21 ARG HD2 H 1 3.418 0.04 . . . . . A 81 ARG HD2 . 25944 1 225 . 1 1 21 21 ARG HD3 H 1 3.418 0.04 . . . . . A 81 ARG HD3 . 25944 1 226 . 1 1 21 21 ARG C C 13 178.431 0.45 . . . . . A 81 ARG C . 25944 1 227 . 1 1 21 21 ARG CA C 13 60.280 0.45 . . . . . A 81 ARG CA . 25944 1 228 . 1 1 21 21 ARG CB C 13 30.600 0.45 . . . . . A 81 ARG CB . 25944 1 229 . 1 1 21 21 ARG N N 15 126.200 0.05 . . . . . A 81 ARG N . 25944 1 230 . 1 1 22 22 ALA H H 1 8.982 0.04 . . . . . A 82 ALA H . 25944 1 231 . 1 1 22 22 ALA HA H 1 4.053 0.04 . . . . . A 82 ALA HA . 25944 1 232 . 1 1 22 22 ALA HB1 H 1 1.424 0.04 . . . . . A 82 ALA HB1 . 25944 1 233 . 1 1 22 22 ALA HB2 H 1 1.424 0.04 . . . . . A 82 ALA HB2 . 25944 1 234 . 1 1 22 22 ALA HB3 H 1 1.424 0.04 . . . . . A 82 ALA HB3 . 25944 1 235 . 1 1 22 22 ALA C C 13 180.573 0.45 . . . . . A 82 ALA C . 25944 1 236 . 1 1 22 22 ALA CA C 13 55.480 0.45 . . . . . A 82 ALA CA . 25944 1 237 . 1 1 22 22 ALA CB C 13 18.700 0.45 . . . . . A 82 ALA CB . 25944 1 238 . 1 1 22 22 ALA N N 15 118.555 0.05 . . . . . A 82 ALA N . 25944 1 239 . 1 1 23 23 ASP H H 1 6.880 0.04 . . . . . A 83 ASP H . 25944 1 240 . 1 1 23 23 ASP HA H 1 4.455 0.04 . . . . . A 83 ASP HA . 25944 1 241 . 1 1 23 23 ASP HB2 H 1 2.756 0.04 . . . . . A 83 ASP HB2 . 25944 1 242 . 1 1 23 23 ASP HB3 H 1 2.756 0.04 . . . . . A 83 ASP HB3 . 25944 1 243 . 1 1 23 23 ASP C C 13 178.418 0.45 . . . . . A 83 ASP C . 25944 1 244 . 1 1 23 23 ASP CA C 13 56.697 0.45 . . . . . A 83 ASP CA . 25944 1 245 . 1 1 23 23 ASP CB C 13 41.260 0.45 . . . . . A 83 ASP CB . 25944 1 246 . 1 1 23 23 ASP N N 15 116.363 0.01 . . . . . A 83 ASP N . 25944 1 247 . 1 1 24 24 ALA H H 1 7.882 0.04 . . . . . A 84 ALA H . 25944 1 248 . 1 1 24 24 ALA HA H 1 4.307 0.04 . . . . . A 84 ALA HA . 25944 1 249 . 1 1 24 24 ALA HB1 H 1 1.450 0.04 . . . . . A 84 ALA HB1 . 25944 1 250 . 1 1 24 24 ALA HB2 H 1 1.450 0.04 . . . . . A 84 ALA HB2 . 25944 1 251 . 1 1 24 24 ALA HB3 H 1 1.450 0.04 . . . . . A 84 ALA HB3 . 25944 1 252 . 1 1 24 24 ALA C C 13 178.301 0.45 . . . . . A 84 ALA C . 25944 1 253 . 1 1 24 24 ALA CA C 13 55.376 0.45 . . . . . A 84 ALA CA . 25944 1 254 . 1 1 24 24 ALA CB C 13 17.900 0.45 . . . . . A 84 ALA CB . 25944 1 255 . 1 1 24 24 ALA N N 15 124.072 0.06 . . . . . A 84 ALA N . 25944 1 256 . 1 1 25 25 LYS H H 1 8.799 0.04 . . . . . A 85 LYS H . 25944 1 257 . 1 1 25 25 LYS HA H 1 3.748 0.04 . . . . . A 85 LYS HA . 25944 1 258 . 1 1 25 25 LYS HB2 H 1 2.138 0.04 . . . . . A 85 LYS HB2 . 25944 1 259 . 1 1 25 25 LYS HB3 H 1 1.871 0.04 . . . . . A 85 LYS HB3 . 25944 1 260 . 1 1 25 25 LYS HG2 H 1 1.491 0.04 . . . . . A 85 LYS HG2 . 25944 1 261 . 1 1 25 25 LYS HG3 H 1 1.491 0.04 . . . . . A 85 LYS HG3 . 25944 1 262 . 1 1 25 25 LYS HD2 H 1 1.761 0.04 . . . . . A 85 LYS HD2 . 25944 1 263 . 1 1 25 25 LYS HD3 H 1 1.761 0.04 . . . . . A 85 LYS HD3 . 25944 1 264 . 1 1 25 25 LYS C C 13 177.149 0.45 . . . . . A 85 LYS C . 25944 1 265 . 1 1 25 25 LYS CA C 13 60.613 0.45 . . . . . A 85 LYS CA . 25944 1 266 . 1 1 25 25 LYS CB C 13 32.433 0.45 . . . . . A 85 LYS CB . 25944 1 267 . 1 1 25 25 LYS CG C 13 24.837 0.45 . . . . . A 85 LYS CG . 25944 1 268 . 1 1 25 25 LYS CD C 13 29.110 0.45 . . . . . A 85 LYS CD . 25944 1 269 . 1 1 25 25 LYS N N 15 118.064 0.19 . . . . . A 85 LYS N . 25944 1 270 . 1 1 26 26 LYS H H 1 7.507 0.04 . . . . . A 86 LYS H . 25944 1 271 . 1 1 26 26 LYS HA H 1 3.919 0.04 . . . . . A 86 LYS HA . 25944 1 272 . 1 1 26 26 LYS HB2 H 1 1.941 0.04 . . . . . A 86 LYS HB2 . 25944 1 273 . 1 1 26 26 LYS HB3 H 1 1.941 0.04 . . . . . A 86 LYS HB3 . 25944 1 274 . 1 1 26 26 LYS HG2 H 1 1.377 0.04 . . . . . A 86 LYS HG2 . 25944 1 275 . 1 1 26 26 LYS HG3 H 1 1.377 0.04 . . . . . A 86 LYS HG3 . 25944 1 276 . 1 1 26 26 LYS HD2 H 1 1.517 0.04 . . . . . A 86 LYS HD2 . 25944 1 277 . 1 1 26 26 LYS HD3 H 1 1.517 0.04 . . . . . A 86 LYS HD3 . 25944 1 278 . 1 1 26 26 LYS C C 13 179.262 0.45 . . . . . A 86 LYS C . 25944 1 279 . 1 1 26 26 LYS CA C 13 59.980 0.45 . . . . . A 86 LYS CA . 25944 1 280 . 1 1 26 26 LYS CB C 13 32.370 0.45 . . . . . A 86 LYS CB . 25944 1 281 . 1 1 26 26 LYS CG C 13 24.559 0.45 . . . . . A 86 LYS CG . 25944 1 282 . 1 1 26 26 LYS N N 15 116.995 0.12 . . . . . A 86 LYS N . 25944 1 283 . 1 1 27 27 LEU H H 1 7.359 0.04 . . . . . A 87 LEU H . 25944 1 284 . 1 1 27 27 LEU HA H 1 4.387 0.04 . . . . . A 87 LEU HA . 25944 1 285 . 1 1 27 27 LEU HB2 H 1 1.621 0.04 . . . . . A 87 LEU HB2 . 25944 1 286 . 1 1 27 27 LEU HB3 H 1 1.621 0.04 . . . . . A 87 LEU HB3 . 25944 1 287 . 1 1 27 27 LEU HG H 1 1.980 0.04 . . . . . A 87 LEU HG . 25944 1 288 . 1 1 27 27 LEU HD11 H 1 0.911 0.04 . . . . . A 87 LEU HD11 . 25944 1 289 . 1 1 27 27 LEU HD12 H 1 0.911 0.04 . . . . . A 87 LEU HD12 . 25944 1 290 . 1 1 27 27 LEU HD13 H 1 0.911 0.04 . . . . . A 87 LEU HD13 . 25944 1 291 . 1 1 27 27 LEU HD21 H 1 0.821 0.04 . . . . . A 87 LEU HD21 . 25944 1 292 . 1 1 27 27 LEU HD22 H 1 0.821 0.04 . . . . . A 87 LEU HD22 . 25944 1 293 . 1 1 27 27 LEU HD23 H 1 0.821 0.04 . . . . . A 87 LEU HD23 . 25944 1 294 . 1 1 27 27 LEU C C 13 178.187 0.45 . . . . . A 87 LEU C . 25944 1 295 . 1 1 27 27 LEU CA C 13 57.928 0.45 . . . . . A 87 LEU CA . 25944 1 296 . 1 1 27 27 LEU CB C 13 40.941 0.45 . . . . . A 87 LEU CB . 25944 1 297 . 1 1 27 27 LEU CG C 13 27.400 0.45 . . . . . A 87 LEU CG . 25944 1 298 . 1 1 27 27 LEU CD1 C 13 26.063 0.45 . . . . . A 87 LEU CD1 . 25944 1 299 . 1 1 27 27 LEU CD2 C 13 22.684 0.45 . . . . . A 87 LEU CD2 . 25944 1 300 . 1 1 27 27 LEU N N 15 118.319 0.12 . . . . . A 87 LEU N . 25944 1 301 . 1 1 28 28 ALA H H 1 8.571 0.04 . . . . . A 88 ALA H . 25944 1 302 . 1 1 28 28 ALA HA H 1 3.677 0.04 . . . . . A 88 ALA HA . 25944 1 303 . 1 1 28 28 ALA HB1 H 1 0.368 0.01 . . . . . A 88 ALA HB1 . 25944 1 304 . 1 1 28 28 ALA HB2 H 1 0.368 0.01 . . . . . A 88 ALA HB2 . 25944 1 305 . 1 1 28 28 ALA HB3 H 1 0.368 0.01 . . . . . A 88 ALA HB3 . 25944 1 306 . 1 1 28 28 ALA C C 13 179.000 0.45 . . . . . A 88 ALA C . 25944 1 307 . 1 1 28 28 ALA CA C 13 56.364 0.45 . . . . . A 88 ALA CA . 25944 1 308 . 1 1 28 28 ALA CB C 13 16.138 0.45 . . . . . A 88 ALA CB . 25944 1 309 . 1 1 28 28 ALA N N 15 121.257 0.09 . . . . . A 88 ALA N . 25944 1 310 . 1 1 29 29 LYS H H 1 8.312 0.04 . . . . . A 89 LYS H . 25944 1 311 . 1 1 29 29 LYS HA H 1 3.834 0.04 . . . . . A 89 LYS HA . 25944 1 312 . 1 1 29 29 LYS HB2 H 1 1.865 0.04 . . . . . A 89 LYS HB2 . 25944 1 313 . 1 1 29 29 LYS HB3 H 1 1.865 0.04 . . . . . A 89 LYS HB3 . 25944 1 314 . 1 1 29 29 LYS HG2 H 1 1.499 0.04 . . . . . A 89 LYS HG2 . 25944 1 315 . 1 1 29 29 LYS HG3 H 1 1.499 0.04 . . . . . A 89 LYS HG3 . 25944 1 316 . 1 1 29 29 LYS HD2 H 1 1.771 0.04 . . . . . A 89 LYS HD2 . 25944 1 317 . 1 1 29 29 LYS HD3 H 1 1.771 0.04 . . . . . A 89 LYS HD3 . 25944 1 318 . 1 1 29 29 LYS C C 13 180.597 0.45 . . . . . A 89 LYS C . 25944 1 319 . 1 1 29 29 LYS CA C 13 60.073 0.45 . . . . . A 89 LYS CA . 25944 1 320 . 1 1 29 29 LYS CB C 13 32.334 0.45 . . . . . A 89 LYS CB . 25944 1 321 . 1 1 29 29 LYS CG C 13 25.917 0.45 . . . . . A 89 LYS CG . 25944 1 322 . 1 1 29 29 LYS CE C 13 41.800 0.45 . . . . . A 89 LYS CE . 25944 1 323 . 1 1 29 29 LYS N N 15 114.495 0.03 . . . . . A 89 LYS N . 25944 1 324 . 1 1 30 30 GLN H H 1 7.793 0.04 . . . . . A 90 GLN H . 25944 1 325 . 1 1 30 30 GLN HA H 1 4.120 0.04 . . . . . A 90 GLN HA . 25944 1 326 . 1 1 30 30 GLN HB2 H 1 1.917 0.04 . . . . . A 90 GLN HB2 . 25944 1 327 . 1 1 30 30 GLN HB3 H 1 1.917 0.04 . . . . . A 90 GLN HB3 . 25944 1 328 . 1 1 30 30 GLN HG2 H 1 2.564 0.04 . . . . . A 90 GLN HG2 . 25944 1 329 . 1 1 30 30 GLN HG3 H 1 2.235 0.04 . . . . . A 90 GLN HG3 . 25944 1 330 . 1 1 30 30 GLN HE21 H 1 6.560 0.04 . . . . . A 90 GLN HE21 . 25944 1 331 . 1 1 30 30 GLN HE22 H 1 7.057 0.04 . . . . . A 90 GLN HE22 . 25944 1 332 . 1 1 30 30 GLN C C 13 179.114 0.45 . . . . . A 90 GLN C . 25944 1 333 . 1 1 30 30 GLN CA C 13 59.063 0.45 . . . . . A 90 GLN CA . 25944 1 334 . 1 1 30 30 GLN CB C 13 29.010 0.45 . . . . . A 90 GLN CB . 25944 1 335 . 1 1 30 30 GLN CG C 13 34.759 0.45 . . . . . A 90 GLN CG . 25944 1 336 . 1 1 30 30 GLN N N 15 119.983 0.17 . . . . . A 90 GLN N . 25944 1 337 . 1 1 31 31 LEU H H 1 8.348 0.04 . . . . . A 91 LEU H . 25944 1 338 . 1 1 31 31 LEU HA H 1 3.927 0.04 . . . . . A 91 LEU HA . 25944 1 339 . 1 1 31 31 LEU HB2 H 1 1.195 0.04 . . . . . A 91 LEU HB2 . 25944 1 340 . 1 1 31 31 LEU HB3 H 1 1.195 0.04 . . . . . A 91 LEU HB3 . 25944 1 341 . 1 1 31 31 LEU HG H 1 2.063 0.04 . . . . . A 91 LEU HG . 25944 1 342 . 1 1 31 31 LEU HD11 H 1 0.468 0.04 . . . . . A 91 LEU HD11 . 25944 1 343 . 1 1 31 31 LEU HD12 H 1 0.468 0.04 . . . . . A 91 LEU HD12 . 25944 1 344 . 1 1 31 31 LEU HD13 H 1 0.468 0.04 . . . . . A 91 LEU HD13 . 25944 1 345 . 1 1 31 31 LEU HD21 H 1 0.897 0.04 . . . . . A 91 LEU HD21 . 25944 1 346 . 1 1 31 31 LEU HD22 H 1 0.897 0.04 . . . . . A 91 LEU HD22 . 25944 1 347 . 1 1 31 31 LEU HD23 H 1 0.897 0.04 . . . . . A 91 LEU HD23 . 25944 1 348 . 1 1 31 31 LEU C C 13 178.747 0.45 . . . . . A 91 LEU C . 25944 1 349 . 1 1 31 31 LEU CA C 13 57.608 0.45 . . . . . A 91 LEU CA . 25944 1 350 . 1 1 31 31 LEU CB C 13 41.099 0.45 . . . . . A 91 LEU CB . 25944 1 351 . 1 1 31 31 LEU CG C 13 26.500 0.45 . . . . . A 91 LEU CG . 25944 1 352 . 1 1 31 31 LEU CD1 C 13 22.200 0.45 . . . . . A 91 LEU CD1 . 25944 1 353 . 1 1 31 31 LEU CD2 C 13 26.242 0.45 . . . . . A 91 LEU CD2 . 25944 1 354 . 1 1 31 31 LEU N N 15 117.633 0.11 . . . . . A 91 LEU N . 25944 1 355 . 1 1 32 32 MET H H 1 8.083 0.04 . . . . . A 92 MET H . 25944 1 356 . 1 1 32 32 MET HA H 1 4.291 0.04 . . . . . A 92 MET HA . 25944 1 357 . 1 1 32 32 MET HB2 H 1 2.225 0.04 . . . . . A 92 MET HB2 . 25944 1 358 . 1 1 32 32 MET HB3 H 1 2.072 0.04 . . . . . A 92 MET HB3 . 25944 1 359 . 1 1 32 32 MET HG2 H 1 2.862 0.04 . . . . . A 92 MET HG2 . 25944 1 360 . 1 1 32 32 MET HG3 H 1 2.862 0.04 . . . . . A 92 MET HG3 . 25944 1 361 . 1 1 32 32 MET C C 13 178.337 0.45 . . . . . A 92 MET C . 25944 1 362 . 1 1 32 32 MET CA C 13 56.190 0.45 . . . . . A 92 MET CA . 25944 1 363 . 1 1 32 32 MET CB C 13 33.237 0.45 . . . . . A 92 MET CB . 25944 1 364 . 1 1 32 32 MET N N 15 115.087 0.11 . . . . . A 92 MET N . 25944 1 365 . 1 1 33 33 GLY H H 1 7.514 0.04 . . . . . A 93 GLY H . 25944 1 366 . 1 1 33 33 GLY HA2 H 1 4.279 0.04 . . . . . A 93 GLY HA2 . 25944 1 367 . 1 1 33 33 GLY HA3 H 1 3.739 0.04 . . . . . A 93 GLY HA3 . 25944 1 368 . 1 1 33 33 GLY C C 13 173.716 0.45 . . . . . A 93 GLY C . 25944 1 369 . 1 1 33 33 GLY CA C 13 45.341 0.45 . . . . . A 93 GLY CA . 25944 1 370 . 1 1 33 33 GLY N N 15 102.979 0.08 . . . . . A 93 GLY N . 25944 1 371 . 1 1 34 34 ASN H H 1 7.176 0.04 . . . . . A 94 ASN H . 25944 1 372 . 1 1 34 34 ASN HA H 1 4.911 0.04 . . . . . A 94 ASN HA . 25944 1 373 . 1 1 34 34 ASN HB2 H 1 2.958 0.04 . . . . . A 94 ASN HB2 . 25944 1 374 . 1 1 34 34 ASN HB3 H 1 2.759 0.04 . . . . . A 94 ASN HB3 . 25944 1 375 . 1 1 34 34 ASN HD21 H 1 6.900 0.04 . . . . . A 94 ASN HD21 . 25944 1 376 . 1 1 34 34 ASN HD22 H 1 6.900 0.04 . . . . . A 94 ASN HD22 . 25944 1 377 . 1 1 34 34 ASN C C 13 173.721 0.45 . . . . . A 94 ASN C . 25944 1 378 . 1 1 34 34 ASN CA C 13 52.465 0.45 . . . . . A 94 ASN CA . 25944 1 379 . 1 1 34 34 ASN CB C 13 39.303 0.45 . . . . . A 94 ASN CB . 25944 1 380 . 1 1 34 34 ASN N N 15 117.931 0.05 . . . . . A 94 ASN N . 25944 1 381 . 1 1 35 35 ASP H H 1 8.857 0.01 . . . . . A 95 ASP H . 25944 1 382 . 1 1 35 35 ASP HA H 1 4.396 0.04 . . . . . A 95 ASP HA . 25944 1 383 . 1 1 35 35 ASP HB2 H 1 2.675 0.04 . . . . . A 95 ASP HB2 . 25944 1 384 . 1 1 35 35 ASP HB3 H 1 2.675 0.04 . . . . . A 95 ASP HB3 . 25944 1 385 . 1 1 35 35 ASP C C 13 177.810 0.45 . . . . . A 95 ASP C . 25944 1 386 . 1 1 35 35 ASP CA C 13 57.193 0.45 . . . . . A 95 ASP CA . 25944 1 387 . 1 1 35 35 ASP CB C 13 40.007 0.45 . . . . . A 95 ASP CB . 25944 1 388 . 1 1 35 35 ASP N N 15 125.367 0.15 . . . . . A 95 ASP N . 25944 1 389 . 1 1 36 36 LYS H H 1 7.972 0.04 . . . . . A 96 LYS H . 25944 1 390 . 1 1 36 36 LYS HA H 1 4.146 0.04 . . . . . A 96 LYS HA . 25944 1 391 . 1 1 36 36 LYS HB2 H 1 1.880 0.04 . . . . . A 96 LYS HB2 . 25944 1 392 . 1 1 36 36 LYS HB3 H 1 1.880 0.04 . . . . . A 96 LYS HB3 . 25944 1 393 . 1 1 36 36 LYS HG2 H 1 1.446 0.04 . . . . . A 96 LYS HG2 . 25944 1 394 . 1 1 36 36 LYS HG3 H 1 1.446 0.04 . . . . . A 96 LYS HG3 . 25944 1 395 . 1 1 36 36 LYS HD2 H 1 1.566 0.04 . . . . . A 96 LYS HD2 . 25944 1 396 . 1 1 36 36 LYS HD3 H 1 1.566 0.04 . . . . . A 96 LYS HD3 . 25944 1 397 . 1 1 36 36 LYS HE2 H 1 2.990 0.04 . . . . . A 96 LYS HE2 . 25944 1 398 . 1 1 36 36 LYS HE3 H 1 2.990 0.04 . . . . . A 96 LYS HE3 . 25944 1 399 . 1 1 36 36 LYS C C 13 179.704 0.45 . . . . . A 96 LYS C . 25944 1 400 . 1 1 36 36 LYS CA C 13 58.391 0.45 . . . . . A 96 LYS CA . 25944 1 401 . 1 1 36 36 LYS CB C 13 31.904 0.45 . . . . . A 96 LYS CB . 25944 1 402 . 1 1 36 36 LYS CG C 13 24.991 0.45 . . . . . A 96 LYS CG . 25944 1 403 . 1 1 36 36 LYS CE C 13 41.000 0.45 . . . . . A 96 LYS CE . 25944 1 404 . 1 1 36 36 LYS N N 15 119.269 0.06 . . . . . A 96 LYS N . 25944 1 405 . 1 1 37 37 LEU H H 1 7.370 0.04 . . . . . A 97 LEU H . 25944 1 406 . 1 1 37 37 LEU HA H 1 3.938 0.04 . . . . . A 97 LEU HA . 25944 1 407 . 1 1 37 37 LEU HB2 H 1 1.749 0.04 . . . . . A 97 LEU HB2 . 25944 1 408 . 1 1 37 37 LEU HB3 H 1 1.749 0.04 . . . . . A 97 LEU HB3 . 25944 1 409 . 1 1 37 37 LEU HG H 1 1.337 0.04 . . . . . A 97 LEU HG . 25944 1 410 . 1 1 37 37 LEU HD11 H 1 0.834 0.04 . . . . . A 97 LEU HD11 . 25944 1 411 . 1 1 37 37 LEU HD12 H 1 0.834 0.04 . . . . . A 97 LEU HD12 . 25944 1 412 . 1 1 37 37 LEU HD13 H 1 0.834 0.04 . . . . . A 97 LEU HD13 . 25944 1 413 . 1 1 37 37 LEU HD21 H 1 0.700 0.04 . . . . . A 97 LEU HD21 . 25944 1 414 . 1 1 37 37 LEU HD22 H 1 0.700 0.04 . . . . . A 97 LEU HD22 . 25944 1 415 . 1 1 37 37 LEU HD23 H 1 0.700 0.04 . . . . . A 97 LEU HD23 . 25944 1 416 . 1 1 37 37 LEU C C 13 177.699 0.45 . . . . . A 97 LEU C . 25944 1 417 . 1 1 37 37 LEU CA C 13 56.863 0.45 . . . . . A 97 LEU CA . 25944 1 418 . 1 1 37 37 LEU CB C 13 42.072 0.45 . . . . . A 97 LEU CB . 25944 1 419 . 1 1 37 37 LEU CD1 C 13 24.948 0.45 . . . . . A 97 LEU CD1 . 25944 1 420 . 1 1 37 37 LEU CD2 C 13 23.500 0.45 . . . . . A 97 LEU CD2 . 25944 1 421 . 1 1 37 37 LEU N N 15 122.961 0.10 . . . . . A 97 LEU N . 25944 1 422 . 1 1 38 38 ALA H H 1 7.918 0.04 . . . . . A 98 ALA H . 25944 1 423 . 1 1 38 38 ALA HA H 1 3.270 0.04 . . . . . A 98 ALA HA . 25944 1 424 . 1 1 38 38 ALA HB1 H 1 1.344 0.04 . . . . . A 98 ALA HB1 . 25944 1 425 . 1 1 38 38 ALA HB2 H 1 1.344 0.04 . . . . . A 98 ALA HB2 . 25944 1 426 . 1 1 38 38 ALA HB3 H 1 1.344 0.04 . . . . . A 98 ALA HB3 . 25944 1 427 . 1 1 38 38 ALA C C 13 176.450 0.45 . . . . . A 98 ALA C . 25944 1 428 . 1 1 38 38 ALA CA C 13 55.268 0.45 . . . . . A 98 ALA CA . 25944 1 429 . 1 1 38 38 ALA CB C 13 16.619 0.45 . . . . . A 98 ALA CB . 25944 1 430 . 1 1 38 38 ALA N N 15 120.603 0.13 . . . . . A 98 ALA N . 25944 1 431 . 1 1 39 39 ASP H H 1 7.594 0.04 . . . . . A 99 ASP H . 25944 1 432 . 1 1 39 39 ASP HA H 1 4.082 0.04 . . . . . A 99 ASP HA . 25944 1 433 . 1 1 39 39 ASP HB2 H 1 2.623 0.04 . . . . . A 99 ASP HB2 . 25944 1 434 . 1 1 39 39 ASP HB3 H 1 2.508 0.04 . . . . . A 99 ASP HB3 . 25944 1 435 . 1 1 39 39 ASP C C 13 178.258 0.45 . . . . . A 99 ASP C . 25944 1 436 . 1 1 39 39 ASP CA C 13 57.308 0.45 . . . . . A 99 ASP CA . 25944 1 437 . 1 1 39 39 ASP CB C 13 40.859 0.45 . . . . . A 99 ASP CB . 25944 1 438 . 1 1 39 39 ASP N N 15 113.981 0.05 . . . . . A 99 ASP N . 25944 1 439 . 1 1 40 40 ALA H H 1 6.934 0.04 . . . . . A 100 ALA H . 25944 1 440 . 1 1 40 40 ALA HA H 1 3.831 0.04 . . . . . A 100 ALA HA . 25944 1 441 . 1 1 40 40 ALA HB1 H 1 1.401 0.04 . . . . . A 100 ALA HB1 . 25944 1 442 . 1 1 40 40 ALA HB2 H 1 1.401 0.04 . . . . . A 100 ALA HB2 . 25944 1 443 . 1 1 40 40 ALA HB3 H 1 1.401 0.04 . . . . . A 100 ALA HB3 . 25944 1 444 . 1 1 40 40 ALA C C 13 179.459 0.45 . . . . . A 100 ALA C . 25944 1 445 . 1 1 40 40 ALA CA C 13 54.590 0.45 . . . . . A 100 ALA CA . 25944 1 446 . 1 1 40 40 ALA CB C 13 17.241 0.45 . . . . . A 100 ALA CB . 25944 1 447 . 1 1 40 40 ALA N N 15 119.475 0.45 . . . . . A 100 ALA N . 25944 1 448 . 1 1 41 41 ALA H H 1 7.384 0.04 . . . . . A 101 ALA H . 25944 1 449 . 1 1 41 41 ALA HA H 1 1.920 0.04 . . . . . A 101 ALA HA . 25944 1 450 . 1 1 41 41 ALA HB1 H 1 -0.328 0.04 . . . . . A 101 ALA HB1 . 25944 1 451 . 1 1 41 41 ALA HB2 H 1 -0.328 0.04 . . . . . A 101 ALA HB2 . 25944 1 452 . 1 1 41 41 ALA HB3 H 1 -0.328 0.04 . . . . . A 101 ALA HB3 . 25944 1 453 . 1 1 41 41 ALA C C 13 177.309 0.45 . . . . . A 101 ALA C . 25944 1 454 . 1 1 41 41 ALA CA C 13 54.473 0.45 . . . . . A 101 ALA CA . 25944 1 455 . 1 1 41 41 ALA CB C 13 16.412 0.45 . . . . . A 101 ALA CB . 25944 1 456 . 1 1 41 41 ALA N N 15 124.918 0.12 . . . . . A 101 ALA N . 25944 1 457 . 1 1 42 42 TYR H H 1 7.639 0.04 . . . . . A 102 TYR H . 25944 1 458 . 1 1 42 42 TYR HA H 1 4.164 0.04 . . . . . A 102 TYR HA . 25944 1 459 . 1 1 42 42 TYR HB2 H 1 2.678 0.04 . . . . . A 102 TYR HB2 . 25944 1 460 . 1 1 42 42 TYR HB3 H 1 2.520 0.04 . . . . . A 102 TYR HB3 . 25944 1 461 . 1 1 42 42 TYR HD1 H 1 6.897 0.04 . . . . . A 102 TYR HD1 . 25944 1 462 . 1 1 42 42 TYR HD2 H 1 6.897 0.04 . . . . . A 102 TYR HD2 . 25944 1 463 . 1 1 42 42 TYR HE1 H 1 6.757 0.04 . . . . . A 102 TYR HE1 . 25944 1 464 . 1 1 42 42 TYR HE2 H 1 6.757 0.04 . . . . . A 102 TYR HE2 . 25944 1 465 . 1 1 42 42 TYR C C 13 179.228 0.45 . . . . . A 102 TYR C . 25944 1 466 . 1 1 42 42 TYR CA C 13 58.300 0.45 . . . . . A 102 TYR CA . 25944 1 467 . 1 1 42 42 TYR CB C 13 35.365 0.45 . . . . . A 102 TYR CB . 25944 1 468 . 1 1 42 42 TYR N N 15 115.340 0.09 . . . . . A 102 TYR N . 25944 1 469 . 1 1 43 43 ILE H H 1 7.321 0.04 . . . . . A 103 ILE H . 25944 1 470 . 1 1 43 43 ILE HA H 1 3.839 0.04 . . . . . A 103 ILE HA . 25944 1 471 . 1 1 43 43 ILE HB H 1 1.735 0.04 . . . . . A 103 ILE HB . 25944 1 472 . 1 1 43 43 ILE HG12 H 1 1.130 0.04 . . . . . A 103 ILE HG12 . 25944 1 473 . 1 1 43 43 ILE HG13 H 1 1.130 0.04 . . . . . A 103 ILE HG13 . 25944 1 474 . 1 1 43 43 ILE HG21 H 1 0.860 0.04 . . . . . A 103 ILE HG21 . 25944 1 475 . 1 1 43 43 ILE HG22 H 1 0.860 0.04 . . . . . A 103 ILE HG22 . 25944 1 476 . 1 1 43 43 ILE HG23 H 1 0.860 0.04 . . . . . A 103 ILE HG23 . 25944 1 477 . 1 1 43 43 ILE HD11 H 1 0.831 0.04 . . . . . A 103 ILE HD11 . 25944 1 478 . 1 1 43 43 ILE HD12 H 1 0.831 0.04 . . . . . A 103 ILE HD12 . 25944 1 479 . 1 1 43 43 ILE HD13 H 1 0.831 0.04 . . . . . A 103 ILE HD13 . 25944 1 480 . 1 1 43 43 ILE C C 13 178.090 0.45 . . . . . A 103 ILE C . 25944 1 481 . 1 1 43 43 ILE CA C 13 64.721 0.45 . . . . . A 103 ILE CA . 25944 1 482 . 1 1 43 43 ILE CB C 13 39.511 0.45 . . . . . A 103 ILE CB . 25944 1 483 . 1 1 43 43 ILE CG1 C 13 29.400 0.45 . . . . . A 103 ILE CG1 . 25944 1 484 . 1 1 43 43 ILE CG2 C 13 17.400 0.45 . . . . . A 103 ILE CG2 . 25944 1 485 . 1 1 43 43 ILE CD1 C 13 13.500 0.45 . . . . . A 103 ILE CD1 . 25944 1 486 . 1 1 43 43 ILE N N 15 117.754 0.11 . . . . . A 103 ILE N . 25944 1 487 . 1 1 44 44 TRP H H 1 8.016 0.01 . . . . . A 104 TRP H . 25944 1 488 . 1 1 44 44 TRP HA H 1 4.049 0.04 . . . . . A 104 TRP HA . 25944 1 489 . 1 1 44 44 TRP HB2 H 1 3.098 0.04 . . . . . A 104 TRP HB2 . 25944 1 490 . 1 1 44 44 TRP HB3 H 1 3.003 0.04 . . . . . A 104 TRP HB3 . 25944 1 491 . 1 1 44 44 TRP HD1 H 1 7.372 0.04 . . . . . A 104 TRP HD1 . 25944 1 492 . 1 1 44 44 TRP HE1 H 1 10.262 0.04 . . . . . A 104 TRP HE1 . 25944 1 493 . 1 1 44 44 TRP HE3 H 1 7.549 0.01 . . . . . A 104 TRP HE3 . 25944 1 494 . 1 1 44 44 TRP HZ2 H 1 7.436 0.04 . . . . . A 104 TRP HZ2 . 25944 1 495 . 1 1 44 44 TRP HZ3 H 1 7.086 0.01 . . . . . A 104 TRP HZ3 . 25944 1 496 . 1 1 44 44 TRP HH2 H 1 7.020 0.01 . . . . . A 104 TRP HH2 . 25944 1 497 . 1 1 44 44 TRP C C 13 181.073 0.45 . . . . . A 104 TRP C . 25944 1 498 . 1 1 44 44 TRP CA C 13 63.008 0.45 . . . . . A 104 TRP CA . 25944 1 499 . 1 1 44 44 TRP CB C 13 30.286 0.45 . . . . . A 104 TRP CB . 25944 1 500 . 1 1 44 44 TRP CD1 C 13 127.400 0.45 . . . . . A 104 TRP CD1 . 25944 1 501 . 1 1 44 44 TRP CE3 C 13 120.200 0.45 . . . . . A 104 TRP CE3 . 25944 1 502 . 1 1 44 44 TRP CZ2 C 13 114.700 0.45 . . . . . A 104 TRP CZ2 . 25944 1 503 . 1 1 44 44 TRP CZ3 C 13 120.600 0.45 . . . . . A 104 TRP CZ3 . 25944 1 504 . 1 1 44 44 TRP CH2 C 13 123.600 0.45 . . . . . A 104 TRP CH2 . 25944 1 505 . 1 1 44 44 TRP N N 15 124.439 0.23 . . . . . A 104 TRP N . 25944 1 506 . 1 1 44 44 TRP NE1 N 15 130.500 0.05 . . . . . A 104 TRP NE1 . 25944 1 507 . 1 1 45 45 TRP H H 1 10.044 0.04 . . . . . A 105 TRP H . 25944 1 508 . 1 1 45 45 TRP HA H 1 4.537 0.04 . . . . . A 105 TRP HA . 25944 1 509 . 1 1 45 45 TRP HB2 H 1 3.147 0.04 . . . . . A 105 TRP HB2 . 25944 1 510 . 1 1 45 45 TRP HB3 H 1 3.005 0.04 . . . . . A 105 TRP HB3 . 25944 1 511 . 1 1 45 45 TRP HD1 H 1 7.431 0.04 . . . . . A 105 TRP HD1 . 25944 1 512 . 1 1 45 45 TRP HE1 H 1 10.394 0.04 . . . . . A 105 TRP HE1 . 25944 1 513 . 1 1 45 45 TRP HE3 H 1 6.079 0.04 . . . . . A 105 TRP HE3 . 25944 1 514 . 1 1 45 45 TRP HZ2 H 1 6.670 0.04 . . . . . A 105 TRP HZ2 . 25944 1 515 . 1 1 45 45 TRP HZ3 H 1 6.701 0.04 . . . . . A 105 TRP HZ3 . 25944 1 516 . 1 1 45 45 TRP HH2 H 1 6.808 0.01 . . . . . A 105 TRP HH2 . 25944 1 517 . 1 1 45 45 TRP C C 13 178.515 0.45 . . . . . A 105 TRP C . 25944 1 518 . 1 1 45 45 TRP CA C 13 58.862 0.45 . . . . . A 105 TRP CA . 25944 1 519 . 1 1 45 45 TRP CB C 13 28.572 0.45 . . . . . A 105 TRP CB . 25944 1 520 . 1 1 45 45 TRP CE3 C 13 121.000 0.45 . . . . . A 105 TRP CE3 . 25944 1 521 . 1 1 45 45 TRP CZ2 C 13 112.000 0.45 . . . . . A 105 TRP CZ2 . 25944 1 522 . 1 1 45 45 TRP CH2 C 13 123.100 0.45 . . . . . A 105 TRP CH2 . 25944 1 523 . 1 1 45 45 TRP N N 15 121.640 0.09 . . . . . A 105 TRP N . 25944 1 524 . 1 1 45 45 TRP NE1 N 15 126.000 0.05 . . . . . A 105 TRP NE1 . 25944 1 525 . 1 1 46 46 GLN H H 1 8.652 0.04 . . . . . A 106 GLN H . 25944 1 526 . 1 1 46 46 GLN HA H 1 4.276 0.04 . . . . . A 106 GLN HA . 25944 1 527 . 1 1 46 46 GLN HB2 H 1 2.625 0.04 . . . . . A 106 GLN HB2 . 25944 1 528 . 1 1 46 46 GLN HB3 H 1 2.340 0.04 . . . . . A 106 GLN HB3 . 25944 1 529 . 1 1 46 46 GLN HG2 H 1 2.503 0.04 . . . . . A 106 GLN HG2 . 25944 1 530 . 1 1 46 46 GLN HG3 H 1 2.503 0.04 . . . . . A 106 GLN HG3 . 25944 1 531 . 1 1 46 46 GLN C C 13 180.992 0.45 . . . . . A 106 GLN C . 25944 1 532 . 1 1 46 46 GLN CA C 13 59.809 0.45 . . . . . A 106 GLN CA . 25944 1 533 . 1 1 46 46 GLN CB C 13 26.732 0.45 . . . . . A 106 GLN CB . 25944 1 534 . 1 1 46 46 GLN CG C 13 32.818 0.45 . . . . . A 106 GLN CG . 25944 1 535 . 1 1 46 46 GLN N N 15 120.394 0.05 . . . . . A 106 GLN N . 25944 1 536 . 1 1 47 47 HIS H H 1 8.640 0.04 . . . . . A 107 HIS H . 25944 1 537 . 1 1 47 47 HIS HA H 1 4.304 0.04 . . . . . A 107 HIS HA . 25944 1 538 . 1 1 47 47 HIS HB2 H 1 3.164 0.04 . . . . . A 107 HIS HB2 . 25944 1 539 . 1 1 47 47 HIS HB3 H 1 3.079 0.04 . . . . . A 107 HIS HB3 . 25944 1 540 . 1 1 47 47 HIS C C 13 175.745 0.45 . . . . . A 107 HIS C . 25944 1 541 . 1 1 47 47 HIS CA C 13 53.405 0.45 . . . . . A 107 HIS CA . 25944 1 542 . 1 1 47 47 HIS CB C 13 28.839 0.45 . . . . . A 107 HIS CB . 25944 1 543 . 1 1 47 47 HIS N N 15 118.999 0.06 . . . . . A 107 HIS N . 25944 1 544 . 1 1 48 48 ASN H H 1 7.851 0.01 . . . . . A 108 ASN H . 25944 1 545 . 1 1 48 48 ASN HA H 1 4.387 0.04 . . . . . A 108 ASN HA . 25944 1 546 . 1 1 48 48 ASN HB2 H 1 2.377 0.04 . . . . . A 108 ASN HB2 . 25944 1 547 . 1 1 48 48 ASN HB3 H 1 1.861 0.04 . . . . . A 108 ASN HB3 . 25944 1 548 . 1 1 48 48 ASN HD21 H 1 5.927 0.01 . . . . . A 108 ASN HD21 . 25944 1 549 . 1 1 48 48 ASN HD22 H 1 6.128 0.04 . . . . . A 108 ASN HD22 . 25944 1 550 . 1 1 48 48 ASN C C 13 172.379 0.45 . . . . . A 108 ASN C . 25944 1 551 . 1 1 48 48 ASN CA C 13 53.783 0.45 . . . . . A 108 ASN CA . 25944 1 552 . 1 1 48 48 ASN CB C 13 38.582 0.45 . . . . . A 108 ASN CB . 25944 1 553 . 1 1 48 48 ASN N N 15 115.577 0.07 . . . . . A 108 ASN N . 25944 1 554 . 1 1 48 48 ASN ND2 N 15 113.900 0.05 . . . . . A 108 ASN ND2 . 25944 1 555 . 1 1 49 49 ARG H H 1 7.790 0.04 . . . . . A 109 ARG H . 25944 1 556 . 1 1 49 49 ARG HA H 1 3.837 0.04 . . . . . A 109 ARG HA . 25944 1 557 . 1 1 49 49 ARG HB2 H 1 1.906 0.04 . . . . . A 109 ARG HB2 . 25944 1 558 . 1 1 49 49 ARG HB3 H 1 1.906 0.04 . . . . . A 109 ARG HB3 . 25944 1 559 . 1 1 49 49 ARG HG2 H 1 1.496 0.04 . . . . . A 109 ARG HG2 . 25944 1 560 . 1 1 49 49 ARG HG3 H 1 1.496 0.04 . . . . . A 109 ARG HG3 . 25944 1 561 . 1 1 49 49 ARG C C 13 175.105 0.45 . . . . . A 109 ARG C . 25944 1 562 . 1 1 49 49 ARG CA C 13 57.252 0.45 . . . . . A 109 ARG CA . 25944 1 563 . 1 1 49 49 ARG CB C 13 26.100 0.45 . . . . . A 109 ARG CB . 25944 1 564 . 1 1 49 49 ARG CG C 13 26.676 0.45 . . . . . A 109 ARG CG . 25944 1 565 . 1 1 49 49 ARG CD C 13 38.571 0.45 . . . . . A 109 ARG CD . 25944 1 566 . 1 1 49 49 ARG N N 15 114.746 0.07 . . . . . A 109 ARG N . 25944 1 567 . 1 1 50 50 VAL H H 1 8.556 0.04 . . . . . A 110 VAL H . 25944 1 568 . 1 1 50 50 VAL HA H 1 4.169 0.04 . . . . . A 110 VAL HA . 25944 1 569 . 1 1 50 50 VAL HB H 1 1.896 0.04 . . . . . A 110 VAL HB . 25944 1 570 . 1 1 50 50 VAL HG11 H 1 1.155 0.04 . . . . . A 110 VAL HG11 . 25944 1 571 . 1 1 50 50 VAL HG12 H 1 1.155 0.04 . . . . . A 110 VAL HG12 . 25944 1 572 . 1 1 50 50 VAL HG13 H 1 1.155 0.04 . . . . . A 110 VAL HG13 . 25944 1 573 . 1 1 50 50 VAL HG21 H 1 0.480 0.04 . . . . . A 110 VAL HG21 . 25944 1 574 . 1 1 50 50 VAL HG22 H 1 0.480 0.04 . . . . . A 110 VAL HG22 . 25944 1 575 . 1 1 50 50 VAL HG23 H 1 0.480 0.04 . . . . . A 110 VAL HG23 . 25944 1 576 . 1 1 50 50 VAL C C 13 178.261 0.45 . . . . . A 110 VAL C . 25944 1 577 . 1 1 50 50 VAL CA C 13 63.272 0.45 . . . . . A 110 VAL CA . 25944 1 578 . 1 1 50 50 VAL CB C 13 31.060 0.45 . . . . . A 110 VAL CB . 25944 1 579 . 1 1 50 50 VAL CG1 C 13 23.200 0.45 . . . . . A 110 VAL CG1 . 25944 1 580 . 1 1 50 50 VAL CG2 C 13 21.000 0.45 . . . . . A 110 VAL CG2 . 25944 1 581 . 1 1 50 50 VAL N N 15 120.612 0.04 . . . . . A 110 VAL N . 25944 1 582 . 1 1 51 51 THR H H 1 8.706 0.01 . . . . . A 111 THR H . 25944 1 583 . 1 1 51 51 THR HA H 1 4.761 0.04 . . . . . A 111 THR HA . 25944 1 584 . 1 1 51 51 THR HB H 1 4.451 0.04 . . . . . A 111 THR HB . 25944 1 585 . 1 1 51 51 THR HG21 H 1 1.336 0.01 . . . . . A 111 THR HG21 . 25944 1 586 . 1 1 51 51 THR HG22 H 1 1.336 0.01 . . . . . A 111 THR HG22 . 25944 1 587 . 1 1 51 51 THR HG23 H 1 1.336 0.01 . . . . . A 111 THR HG23 . 25944 1 588 . 1 1 51 51 THR C C 13 176.097 0.45 . . . . . A 111 THR C . 25944 1 589 . 1 1 51 51 THR CA C 13 60.823 0.45 . . . . . A 111 THR CA . 25944 1 590 . 1 1 51 51 THR CB C 13 71.497 0.45 . . . . . A 111 THR CB . 25944 1 591 . 1 1 51 51 THR CG2 C 13 22.170 0.45 . . . . . A 111 THR CG2 . 25944 1 592 . 1 1 51 51 THR N N 15 122.788 0.07 . . . . . A 111 THR N . 25944 1 593 . 1 1 52 52 LEU H H 1 8.990 0.01 . . . . . A 112 LEU H . 25944 1 594 . 1 1 52 52 LEU HA H 1 3.996 0.04 . . . . . A 112 LEU HA . 25944 1 595 . 1 1 52 52 LEU HB2 H 1 1.678 0.04 . . . . . A 112 LEU HB2 . 25944 1 596 . 1 1 52 52 LEU HB3 H 1 1.678 0.04 . . . . . A 112 LEU HB3 . 25944 1 597 . 1 1 52 52 LEU HG H 1 1.540 0.04 . . . . . A 112 LEU HG . 25944 1 598 . 1 1 52 52 LEU HD11 H 1 0.601 0.04 . . . . . A 112 LEU HD11 . 25944 1 599 . 1 1 52 52 LEU HD12 H 1 0.601 0.04 . . . . . A 112 LEU HD12 . 25944 1 600 . 1 1 52 52 LEU HD13 H 1 0.601 0.04 . . . . . A 112 LEU HD13 . 25944 1 601 . 1 1 52 52 LEU HD21 H 1 0.354 0.04 . . . . . A 112 LEU HD21 . 25944 1 602 . 1 1 52 52 LEU HD22 H 1 0.354 0.04 . . . . . A 112 LEU HD22 . 25944 1 603 . 1 1 52 52 LEU HD23 H 1 0.354 0.04 . . . . . A 112 LEU HD23 . 25944 1 604 . 1 1 52 52 LEU C C 13 179.154 0.45 . . . . . A 112 LEU C . 25944 1 605 . 1 1 52 52 LEU CA C 13 58.472 0.45 . . . . . A 112 LEU CA . 25944 1 606 . 1 1 52 52 LEU CB C 13 40.238 0.45 . . . . . A 112 LEU CB . 25944 1 607 . 1 1 52 52 LEU CG C 13 26.800 0.45 . . . . . A 112 LEU CG . 25944 1 608 . 1 1 52 52 LEU CD1 C 13 25.400 0.45 . . . . . A 112 LEU CD1 . 25944 1 609 . 1 1 52 52 LEU CD2 C 13 23.700 0.45 . . . . . A 112 LEU CD2 . 25944 1 610 . 1 1 52 52 LEU N N 15 120.755 0.21 . . . . . A 112 LEU N . 25944 1 611 . 1 1 53 53 ASP H H 1 8.204 0.04 . . . . . A 113 ASP H . 25944 1 612 . 1 1 53 53 ASP HA H 1 4.547 0.04 . . . . . A 113 ASP HA . 25944 1 613 . 1 1 53 53 ASP HB2 H 1 2.694 0.04 . . . . . A 113 ASP HB2 . 25944 1 614 . 1 1 53 53 ASP HB3 H 1 2.610 0.04 . . . . . A 113 ASP HB3 . 25944 1 615 . 1 1 53 53 ASP C C 13 178.795 0.45 . . . . . A 113 ASP C . 25944 1 616 . 1 1 53 53 ASP CA C 13 57.267 0.45 . . . . . A 113 ASP CA . 25944 1 617 . 1 1 53 53 ASP CB C 13 40.462 0.45 . . . . . A 113 ASP CB . 25944 1 618 . 1 1 53 53 ASP N N 15 117.391 0.10 . . . . . A 113 ASP N . 25944 1 619 . 1 1 54 54 GLN H H 1 7.761 0.04 . . . . . A 114 GLN H . 25944 1 620 . 1 1 54 54 GLN HB2 H 1 1.990 0.04 . . . . . A 114 GLN HB2 . 25944 1 621 . 1 1 54 54 GLN HB3 H 1 1.990 0.04 . . . . . A 114 GLN HB3 . 25944 1 622 . 1 1 54 54 GLN HG2 H 1 2.360 0.04 . . . . . A 114 GLN HG2 . 25944 1 623 . 1 1 54 54 GLN HG3 H 1 2.360 0.04 . . . . . A 114 GLN HG3 . 25944 1 624 . 1 1 54 54 GLN C C 13 179.913 0.45 . . . . . A 114 GLN C . 25944 1 625 . 1 1 54 54 GLN CA C 13 59.022 0.45 . . . . . A 114 GLN CA . 25944 1 626 . 1 1 54 54 GLN CB C 13 29.100 0.45 . . . . . A 114 GLN CB . 25944 1 627 . 1 1 54 54 GLN CG C 13 35.612 0.45 . . . . . A 114 GLN CG . 25944 1 628 . 1 1 54 54 GLN N N 15 119.886 0.07 . . . . . A 114 GLN N . 25944 1 629 . 1 1 55 55 ILE H H 1 7.864 0.04 . . . . . A 115 ILE H . 25944 1 630 . 1 1 55 55 ILE HG12 H 1 1.466 0.04 . . . . . A 115 ILE HG12 . 25944 1 631 . 1 1 55 55 ILE HG13 H 1 0.722 0.04 . . . . . A 115 ILE HG13 . 25944 1 632 . 1 1 55 55 ILE HG21 H 1 0.943 0.04 . . . . . A 115 ILE HG21 . 25944 1 633 . 1 1 55 55 ILE HG22 H 1 0.943 0.04 . . . . . A 115 ILE HG22 . 25944 1 634 . 1 1 55 55 ILE HG23 H 1 0.943 0.04 . . . . . A 115 ILE HG23 . 25944 1 635 . 1 1 55 55 ILE HD11 H 1 -1.040 0.04 . . . . . A 115 ILE HD11 . 25944 1 636 . 1 1 55 55 ILE HD12 H 1 -1.040 0.04 . . . . . A 115 ILE HD12 . 25944 1 637 . 1 1 55 55 ILE HD13 H 1 -1.040 0.04 . . . . . A 115 ILE HD13 . 25944 1 638 . 1 1 55 55 ILE C C 13 177.425 0.45 . . . . . A 115 ILE C . 25944 1 639 . 1 1 55 55 ILE CA C 13 61.603 0.45 . . . . . A 115 ILE CA . 25944 1 640 . 1 1 55 55 ILE CB C 13 33.900 0.45 . . . . . A 115 ILE CB . 25944 1 641 . 1 1 55 55 ILE CG1 C 13 27.500 0.45 . . . . . A 115 ILE CG1 . 25944 1 642 . 1 1 55 55 ILE CG2 C 13 18.100 0.45 . . . . . A 115 ILE CG2 . 25944 1 643 . 1 1 55 55 ILE CD1 C 13 6.734 0.45 . . . . . A 115 ILE CD1 . 25944 1 644 . 1 1 55 55 ILE N N 15 121.501 0.12 . . . . . A 115 ILE N . 25944 1 645 . 1 1 56 56 ASP H H 1 8.840 0.04 . . . . . A 116 ASP H . 25944 1 646 . 1 1 56 56 ASP HA H 1 4.337 0.04 . . . . . A 116 ASP HA . 25944 1 647 . 1 1 56 56 ASP HB2 H 1 3.032 0.04 . . . . . A 116 ASP HB2 . 25944 1 648 . 1 1 56 56 ASP HB3 H 1 2.872 0.04 . . . . . A 116 ASP HB3 . 25944 1 649 . 1 1 56 56 ASP C C 13 177.692 0.45 . . . . . A 116 ASP C . 25944 1 650 . 1 1 56 56 ASP CA C 13 58.337 0.45 . . . . . A 116 ASP CA . 25944 1 651 . 1 1 56 56 ASP CB C 13 42.299 0.45 . . . . . A 116 ASP CB . 25944 1 652 . 1 1 56 56 ASP N N 15 122.017 0.05 . . . . . A 116 ASP N . 25944 1 653 . 1 1 57 57 THR H H 1 8.148 0.04 . . . . . A 117 THR H . 25944 1 654 . 1 1 57 57 THR HA H 1 4.239 0.04 . . . . . A 117 THR HA . 25944 1 655 . 1 1 57 57 THR HB H 1 3.685 0.04 . . . . . A 117 THR HB . 25944 1 656 . 1 1 57 57 THR HG21 H 1 1.212 0.04 . . . . . A 117 THR HG21 . 25944 1 657 . 1 1 57 57 THR HG22 H 1 1.212 0.04 . . . . . A 117 THR HG22 . 25944 1 658 . 1 1 57 57 THR HG23 H 1 1.212 0.04 . . . . . A 117 THR HG23 . 25944 1 659 . 1 1 57 57 THR C C 13 176.138 0.45 . . . . . A 117 THR C . 25944 1 660 . 1 1 57 57 THR CA C 13 67.433 0.45 . . . . . A 117 THR CA . 25944 1 661 . 1 1 57 57 THR CB C 13 68.636 0.45 . . . . . A 117 THR CB . 25944 1 662 . 1 1 57 57 THR CG2 C 13 21.600 0.45 . . . . . A 117 THR CG2 . 25944 1 663 . 1 1 57 57 THR N N 15 114.652 0.02 . . . . . A 117 THR N . 25944 1 664 . 1 1 58 58 PHE H H 1 7.650 0.04 . . . . . A 118 PHE H . 25944 1 665 . 1 1 58 58 PHE HA H 1 4.598 0.04 . . . . . A 118 PHE HA . 25944 1 666 . 1 1 58 58 PHE HB2 H 1 3.350 0.04 . . . . . A 118 PHE HB2 . 25944 1 667 . 1 1 58 58 PHE HB3 H 1 3.235 0.04 . . . . . A 118 PHE HB3 . 25944 1 668 . 1 1 58 58 PHE HD1 H 1 7.168 0.04 . . . . . A 118 PHE HD1 . 25944 1 669 . 1 1 58 58 PHE HD2 H 1 7.168 0.04 . . . . . A 118 PHE HD2 . 25944 1 670 . 1 1 58 58 PHE HE1 H 1 7.367 0.04 . . . . . A 118 PHE HE1 . 25944 1 671 . 1 1 58 58 PHE HE2 H 1 7.367 0.04 . . . . . A 118 PHE HE2 . 25944 1 672 . 1 1 58 58 PHE HZ H 1 6.900 0.04 . . . . . A 118 PHE HZ . 25944 1 673 . 1 1 58 58 PHE C C 13 176.122 0.45 . . . . . A 118 PHE C . 25944 1 674 . 1 1 58 58 PHE CA C 13 59.150 0.45 . . . . . A 118 PHE CA . 25944 1 675 . 1 1 58 58 PHE CB C 13 38.571 0.45 . . . . . A 118 PHE CB . 25944 1 676 . 1 1 58 58 PHE N N 15 124.453 0.04 . . . . . A 118 PHE N . 25944 1 677 . 1 1 59 59 LEU H H 1 8.543 0.04 . . . . . A 119 LEU H . 25944 1 678 . 1 1 59 59 LEU HA H 1 3.423 0.04 . . . . . A 119 LEU HA . 25944 1 679 . 1 1 59 59 LEU HB2 H 1 1.995 0.04 . . . . . A 119 LEU HB2 . 25944 1 680 . 1 1 59 59 LEU HB3 H 1 1.995 0.04 . . . . . A 119 LEU HB3 . 25944 1 681 . 1 1 59 59 LEU HG H 1 1.451 0.04 . . . . . A 119 LEU HG . 25944 1 682 . 1 1 59 59 LEU HD11 H 1 1.002 0.04 . . . . . A 119 LEU HD11 . 25944 1 683 . 1 1 59 59 LEU HD12 H 1 1.002 0.04 . . . . . A 119 LEU HD12 . 25944 1 684 . 1 1 59 59 LEU HD13 H 1 1.002 0.04 . . . . . A 119 LEU HD13 . 25944 1 685 . 1 1 59 59 LEU HD21 H 1 0.284 0.04 . . . . . A 119 LEU HD21 . 25944 1 686 . 1 1 59 59 LEU HD22 H 1 0.284 0.04 . . . . . A 119 LEU HD22 . 25944 1 687 . 1 1 59 59 LEU HD23 H 1 0.284 0.04 . . . . . A 119 LEU HD23 . 25944 1 688 . 1 1 59 59 LEU C C 13 179.603 0.45 . . . . . A 119 LEU C . 25944 1 689 . 1 1 59 59 LEU CA C 13 57.710 0.45 . . . . . A 119 LEU CA . 25944 1 690 . 1 1 59 59 LEU CB C 13 39.800 0.45 . . . . . A 119 LEU CB . 25944 1 691 . 1 1 59 59 LEU CG C 13 26.400 0.45 . . . . . A 119 LEU CG . 25944 1 692 . 1 1 59 59 LEU CD1 C 13 27.240 0.45 . . . . . A 119 LEU CD1 . 25944 1 693 . 1 1 59 59 LEU CD2 C 13 21.700 0.45 . . . . . A 119 LEU CD2 . 25944 1 694 . 1 1 59 59 LEU N N 15 120.652 0.08 . . . . . A 119 LEU N . 25944 1 695 . 1 1 60 60 LYS H H 1 8.105 0.04 . . . . . A 120 LYS H . 25944 1 696 . 1 1 60 60 LYS HA H 1 3.563 0.04 . . . . . A 120 LYS HA . 25944 1 697 . 1 1 60 60 LYS HB2 H 1 1.730 0.04 . . . . . A 120 LYS HB2 . 25944 1 698 . 1 1 60 60 LYS HB3 H 1 1.730 0.04 . . . . . A 120 LYS HB3 . 25944 1 699 . 1 1 60 60 LYS HG2 H 1 1.442 0.04 . . . . . A 120 LYS HG2 . 25944 1 700 . 1 1 60 60 LYS HG3 H 1 1.442 0.04 . . . . . A 120 LYS HG3 . 25944 1 701 . 1 1 60 60 LYS HE2 H 1 2.980 0.04 . . . . . A 120 LYS HE2 . 25944 1 702 . 1 1 60 60 LYS HE3 H 1 2.980 0.04 . . . . . A 120 LYS HE3 . 25944 1 703 . 1 1 60 60 LYS C C 13 178.258 0.45 . . . . . A 120 LYS C . 25944 1 704 . 1 1 60 60 LYS CA C 13 59.797 0.45 . . . . . A 120 LYS CA . 25944 1 705 . 1 1 60 60 LYS CB C 13 32.464 0.45 . . . . . A 120 LYS CB . 25944 1 706 . 1 1 60 60 LYS CG C 13 28.800 0.45 . . . . . A 120 LYS CG . 25944 1 707 . 1 1 60 60 LYS N N 15 119.870 0.07 . . . . . A 120 LYS N . 25944 1 708 . 1 1 61 61 LEU H H 1 7.496 0.04 . . . . . A 121 LEU H . 25944 1 709 . 1 1 61 61 LEU HA H 1 4.117 0.04 . . . . . A 121 LEU HA . 25944 1 710 . 1 1 61 61 LEU HB2 H 1 1.671 0.01 . . . . . A 121 LEU HB2 . 25944 1 711 . 1 1 61 61 LEU HB3 H 1 1.671 0.01 . . . . . A 121 LEU HB3 . 25944 1 712 . 1 1 61 61 LEU HG H 1 1.465 0.01 . . . . . A 121 LEU HG . 25944 1 713 . 1 1 61 61 LEU HD11 H 1 0.838 0.04 . . . . . A 121 LEU HD11 . 25944 1 714 . 1 1 61 61 LEU HD12 H 1 0.838 0.04 . . . . . A 121 LEU HD12 . 25944 1 715 . 1 1 61 61 LEU HD13 H 1 0.838 0.04 . . . . . A 121 LEU HD13 . 25944 1 716 . 1 1 61 61 LEU HD21 H 1 0.706 0.04 . . . . . A 121 LEU HD21 . 25944 1 717 . 1 1 61 61 LEU HD22 H 1 0.706 0.04 . . . . . A 121 LEU HD22 . 25944 1 718 . 1 1 61 61 LEU HD23 H 1 0.706 0.04 . . . . . A 121 LEU HD23 . 25944 1 719 . 1 1 61 61 LEU C C 13 178.029 0.45 . . . . . A 121 LEU C . 25944 1 720 . 1 1 61 61 LEU CA C 13 56.880 0.45 . . . . . A 121 LEU CA . 25944 1 721 . 1 1 61 61 LEU CB C 13 42.059 0.45 . . . . . A 121 LEU CB . 25944 1 722 . 1 1 61 61 LEU CG C 13 26.100 0.45 . . . . . A 121 LEU CG . 25944 1 723 . 1 1 61 61 LEU CD1 C 13 23.700 0.45 . . . . . A 121 LEU CD1 . 25944 1 724 . 1 1 61 61 LEU CD2 C 13 25.500 0.45 . . . . . A 121 LEU CD2 . 25944 1 725 . 1 1 61 61 LEU N N 15 120.600 0.05 . . . . . A 121 LEU N . 25944 1 726 . 1 1 62 62 ALA H H 1 7.827 0.04 . . . . . A 122 ALA H . 25944 1 727 . 1 1 62 62 ALA HA H 1 3.901 0.04 . . . . . A 122 ALA HA . 25944 1 728 . 1 1 62 62 ALA HB1 H 1 1.009 0.04 . . . . . A 122 ALA HB1 . 25944 1 729 . 1 1 62 62 ALA HB2 H 1 1.009 0.04 . . . . . A 122 ALA HB2 . 25944 1 730 . 1 1 62 62 ALA HB3 H 1 1.009 0.04 . . . . . A 122 ALA HB3 . 25944 1 731 . 1 1 62 62 ALA C C 13 178.505 0.45 . . . . . A 122 ALA C . 25944 1 732 . 1 1 62 62 ALA CA C 13 54.603 0.45 . . . . . A 122 ALA CA . 25944 1 733 . 1 1 62 62 ALA CB C 13 19.400 0.45 . . . . . A 122 ALA CB . 25944 1 734 . 1 1 62 62 ALA N N 15 118.900 0.05 . . . . . A 122 ALA N . 25944 1 735 . 1 1 63 63 SER H H 1 7.839 0.04 . . . . . A 123 SER H . 25944 1 736 . 1 1 63 63 SER HA H 1 3.390 0.04 . . . . . A 123 SER HA . 25944 1 737 . 1 1 63 63 SER HB2 H 1 3.870 0.04 . . . . . A 123 SER HB2 . 25944 1 738 . 1 1 63 63 SER HB3 H 1 3.870 0.04 . . . . . A 123 SER HB3 . 25944 1 739 . 1 1 63 63 SER C C 13 170.257 0.45 . . . . . A 123 SER C . 25944 1 740 . 1 1 63 63 SER CA C 13 59.687 0.45 . . . . . A 123 SER CA . 25944 1 741 . 1 1 63 63 SER CB C 13 62.300 0.45 . . . . . A 123 SER CB . 25944 1 742 . 1 1 63 63 SER N N 15 111.351 0.02 . . . . . A 123 SER N . 25944 1 743 . 1 1 67 67 GLN H H 1 8.201 0.01 . . . . . A 127 GLN H . 25944 1 744 . 1 1 67 67 GLN HA H 1 4.009 0.04 . . . . . A 127 GLN HA . 25944 1 745 . 1 1 67 67 GLN HB2 H 1 2.337 0.04 . . . . . A 127 GLN HB2 . 25944 1 746 . 1 1 67 67 GLN HB3 H 1 2.337 0.04 . . . . . A 127 GLN HB3 . 25944 1 747 . 1 1 67 67 GLN HG2 H 1 2.176 0.04 . . . . . A 127 GLN HG2 . 25944 1 748 . 1 1 67 67 GLN HG3 H 1 2.176 0.04 . . . . . A 127 GLN HG3 . 25944 1 749 . 1 1 67 67 GLN HE21 H 1 7.582 0.04 . . . . . A 127 GLN HE21 . 25944 1 750 . 1 1 67 67 GLN HE22 H 1 6.837 0.04 . . . . . A 127 GLN HE22 . 25944 1 751 . 1 1 67 67 GLN C C 13 176.000 0.45 . . . . . A 127 GLN C . 25944 1 752 . 1 1 67 67 GLN CA C 13 56.950 0.45 . . . . . A 127 GLN CA . 25944 1 753 . 1 1 67 67 GLN CB C 13 26.500 0.45 . . . . . A 127 GLN CB . 25944 1 754 . 1 1 67 67 GLN CG C 13 33.500 0.45 . . . . . A 127 GLN CD . 25944 1 755 . 1 1 67 67 GLN N N 15 122.300 0.05 . . . . . A 127 GLN N . 25944 1 756 . 1 1 67 67 GLN NE2 N 15 111.600 0.05 . . . . . A 127 GLN NE2 . 25944 1 757 . 1 1 68 68 GLY H H 1 8.512 0.04 . . . . . A 128 GLY H . 25944 1 758 . 1 1 68 68 GLY HA2 H 1 4.024 0.04 . . . . . A 128 GLY HA2 . 25944 1 759 . 1 1 68 68 GLY HA3 H 1 3.448 0.04 . . . . . A 128 GLY HA3 . 25944 1 760 . 1 1 68 68 GLY C C 13 174.914 0.45 . . . . . A 128 GLY C . 25944 1 761 . 1 1 68 68 GLY CA C 13 45.622 0.45 . . . . . A 128 GLY CA . 25944 1 762 . 1 1 68 68 GLY N N 15 105.200 0.05 . . . . . A 128 GLY N . 25944 1 763 . 1 1 69 69 ALA H H 1 8.046 0.01 . . . . . A 129 ALA H . 25944 1 764 . 1 1 69 69 ALA HA H 1 4.020 0.04 . . . . . A 129 ALA HA . 25944 1 765 . 1 1 69 69 ALA HB1 H 1 1.454 0.04 . . . . . A 129 ALA HB1 . 25944 1 766 . 1 1 69 69 ALA HB2 H 1 1.454 0.04 . . . . . A 129 ALA HB2 . 25944 1 767 . 1 1 69 69 ALA HB3 H 1 1.454 0.04 . . . . . A 129 ALA HB3 . 25944 1 768 . 1 1 69 69 ALA C C 13 180.176 0.45 . . . . . A 129 ALA C . 25944 1 769 . 1 1 69 69 ALA CA C 13 55.000 0.45 . . . . . A 129 ALA CA . 25944 1 770 . 1 1 69 69 ALA CB C 13 18.200 0.45 . . . . . A 129 ALA CB . 25944 1 771 . 1 1 69 69 ALA N N 15 125.585 0.01 . . . . . A 129 ALA N . 25944 1 772 . 1 1 70 70 LYS H H 1 7.928 0.04 . . . . . A 130 LYS H . 25944 1 773 . 1 1 70 70 LYS HA H 1 3.923 0.04 . . . . . A 130 LYS HA . 25944 1 774 . 1 1 70 70 LYS HB2 H 1 1.585 0.04 . . . . . A 130 LYS HB2 . 25944 1 775 . 1 1 70 70 LYS HB3 H 1 1.585 0.04 . . . . . A 130 LYS HB3 . 25944 1 776 . 1 1 70 70 LYS C C 13 176.800 0.45 . . . . . A 130 LYS C . 25944 1 777 . 1 1 70 70 LYS CA C 13 58.530 0.45 . . . . . A 130 LYS CA . 25944 1 778 . 1 1 70 70 LYS N N 15 116.500 0.05 . . . . . A 130 LYS N . 25944 1 779 . 1 1 71 71 TYR H H 1 7.465 0.04 . . . . . A 131 TYR H . 25944 1 780 . 1 1 71 71 TYR HA H 1 5.173 0.04 . . . . . A 131 TYR HA . 25944 1 781 . 1 1 71 71 TYR HB2 H 1 3.647 0.04 . . . . . A 131 TYR HB2 . 25944 1 782 . 1 1 71 71 TYR HB3 H 1 2.498 0.04 . . . . . A 131 TYR HB3 . 25944 1 783 . 1 1 71 71 TYR HD1 H 1 6.937 0.04 . . . . . A 131 TYR HD1 . 25944 1 784 . 1 1 71 71 TYR HD2 H 1 6.937 0.04 . . . . . A 131 TYR HD2 . 25944 1 785 . 1 1 71 71 TYR HE1 H 1 6.557 0.04 . . . . . A 131 TYR HE1 . 25944 1 786 . 1 1 71 71 TYR HE2 H 1 6.557 0.04 . . . . . A 131 TYR HE2 . 25944 1 787 . 1 1 71 71 TYR C C 13 175.800 0.45 . . . . . A 131 TYR C . 25944 1 788 . 1 1 71 71 TYR CA C 13 55.810 0.45 . . . . . A 131 TYR CA . 25944 1 789 . 1 1 71 71 TYR CB C 13 40.500 0.45 . . . . . A 131 TYR CB . 25944 1 790 . 1 1 71 71 TYR N N 15 116.400 0.05 . . . . . A 131 TYR N . 25944 1 791 . 1 1 72 72 ASN H H 1 7.675 0.01 . . . . . A 132 ASN H . 25944 1 792 . 1 1 72 72 ASN HA H 1 4.421 0.04 . . . . . A 132 ASN HA . 25944 1 793 . 1 1 72 72 ASN HB2 H 1 3.028 0.04 . . . . . A 132 ASN HB2 . 25944 1 794 . 1 1 72 72 ASN HB3 H 1 2.778 0.04 . . . . . A 132 ASN HB3 . 25944 1 795 . 1 1 72 72 ASN HD21 H 1 6.895 0.04 . . . . . A 132 ASN HD21 . 25944 1 796 . 1 1 72 72 ASN HD22 H 1 7.701 0.04 . . . . . A 132 ASN HD22 . 25944 1 797 . 1 1 72 72 ASN C C 13 176.000 0.45 . . . . . A 132 ASN C . 25944 1 798 . 1 1 72 72 ASN CA C 13 56.600 0.45 . . . . . A 132 ASN CA . 25944 1 799 . 1 1 72 72 ASN CB C 13 38.690 0.45 . . . . . A 132 ASN CB . 25944 1 800 . 1 1 72 72 ASN N N 15 120.200 0.05 . . . . . A 132 ASN N . 25944 1 801 . 1 1 72 72 ASN ND2 N 15 110.800 0.05 . . . . . A 132 ASN ND2 . 25944 1 802 . 1 1 73 73 GLN H H 1 9.111 0.01 . . . . . A 133 GLN H . 25944 1 803 . 1 1 73 73 GLN HA H 1 4.212 0.04 . . . . . A 133 GLN HA . 25944 1 804 . 1 1 73 73 GLN HB2 H 1 1.993 0.04 . . . . . A 133 GLN HB2 . 25944 1 805 . 1 1 73 73 GLN HB3 H 1 1.960 0.04 . . . . . A 133 GLN HB3 . 25944 1 806 . 1 1 73 73 GLN HG2 H 1 2.336 0.04 . . . . . A 133 GLN HG2 . 25944 1 807 . 1 1 73 73 GLN HG3 H 1 2.336 0.04 . . . . . A 133 GLN HG3 . 25944 1 808 . 1 1 73 73 GLN C C 13 178.600 0.45 . . . . . A 133 GLN C . 25944 1 809 . 1 1 73 73 GLN CA C 13 59.610 0.45 . . . . . A 133 GLN CA . 25944 1 810 . 1 1 73 73 GLN CB C 13 29.460 0.45 . . . . . A 133 GLN CB . 25944 1 811 . 1 1 73 73 GLN CG C 13 33.790 0.45 . . . . . A 133 GLN CG . 25944 1 812 . 1 1 73 73 GLN N N 15 119.800 0.05 . . . . . A 133 GLN N . 25944 1 813 . 1 1 74 74 ILE H H 1 7.944 0.01 . . . . . A 134 ILE H . 25944 1 814 . 1 1 74 74 ILE HA H 1 4.409 0.04 . . . . . A 134 ILE HA . 25944 1 815 . 1 1 74 74 ILE HB H 1 2.330 0.04 . . . . . A 134 ILE HB . 25944 1 816 . 1 1 74 74 ILE HG12 H 1 1.857 0.04 . . . . . A 134 ILE HG12 . 25944 1 817 . 1 1 74 74 ILE HG13 H 1 1.857 0.04 . . . . . A 134 ILE HG13 . 25944 1 818 . 1 1 74 74 ILE HG21 H 1 1.450 0.04 . . . . . A 134 ILE HG21 . 25944 1 819 . 1 1 74 74 ILE HG22 H 1 1.450 0.04 . . . . . A 134 ILE HG22 . 25944 1 820 . 1 1 74 74 ILE HG23 H 1 1.450 0.04 . . . . . A 134 ILE HG23 . 25944 1 821 . 1 1 74 74 ILE HD11 H 1 1.034 0.04 . . . . . A 134 ILE HD11 . 25944 1 822 . 1 1 74 74 ILE HD12 H 1 1.034 0.04 . . . . . A 134 ILE HD12 . 25944 1 823 . 1 1 74 74 ILE HD13 H 1 1.034 0.04 . . . . . A 134 ILE HD13 . 25944 1 824 . 1 1 74 74 ILE C C 13 177.100 0.45 . . . . . A 134 ILE C . 25944 1 825 . 1 1 74 74 ILE CA C 13 63.410 0.45 . . . . . A 134 ILE CA . 25944 1 826 . 1 1 74 74 ILE CB C 13 37.700 0.45 . . . . . A 134 ILE CB . 25944 1 827 . 1 1 74 74 ILE CG1 C 13 28.600 0.45 . . . . . A 134 ILE CG1 . 25944 1 828 . 1 1 74 74 ILE CG2 C 13 17.900 0.45 . . . . . A 134 ILE CG2 . 25944 1 829 . 1 1 74 74 ILE CD1 C 13 13.800 0.45 . . . . . A 134 ILE CD1 . 25944 1 830 . 1 1 74 74 ILE N N 15 119.200 0.05 . . . . . A 134 ILE N . 25944 1 831 . 1 1 75 75 TYR H H 1 6.718 0.04 . . . . . A 135 TYR H . 25944 1 832 . 1 1 75 75 TYR HA H 1 3.891 0.04 . . . . . A 135 TYR HA . 25944 1 833 . 1 1 75 75 TYR HB2 H 1 3.182 0.04 . . . . . A 135 TYR HB2 . 25944 1 834 . 1 1 75 75 TYR HB3 H 1 2.933 0.04 . . . . . A 135 TYR HB3 . 25944 1 835 . 1 1 75 75 TYR HD1 H 1 6.966 0.04 . . . . . A 135 TYR HD1 . 25944 1 836 . 1 1 75 75 TYR HD2 H 1 6.966 0.04 . . . . . A 135 TYR HD2 . 25944 1 837 . 1 1 75 75 TYR HE1 H 1 6.890 0.04 . . . . . A 135 TYR HE1 . 25944 1 838 . 1 1 75 75 TYR HE2 H 1 6.890 0.04 . . . . . A 135 TYR HE2 . 25944 1 839 . 1 1 75 75 TYR C C 13 176.800 0.45 . . . . . A 135 TYR C . 25944 1 840 . 1 1 75 75 TYR CA C 13 62.650 0.45 . . . . . A 135 TYR CA . 25944 1 841 . 1 1 75 75 TYR CB C 13 38.950 0.45 . . . . . A 135 TYR CB . 25944 1 842 . 1 1 75 75 TYR N N 15 119.600 0.05 . . . . . A 135 TYR N . 25944 1 843 . 1 1 76 76 ASN H H 1 8.901 0.04 . . . . . A 136 ASN H . 25944 1 844 . 1 1 76 76 ASN HA H 1 4.385 0.04 . . . . . A 136 ASN HA . 25944 1 845 . 1 1 76 76 ASN HB2 H 1 2.806 0.04 . . . . . A 136 ASN HB2 . 25944 1 846 . 1 1 76 76 ASN HB3 H 1 2.806 0.04 . . . . . A 136 ASN HB3 . 25944 1 847 . 1 1 76 76 ASN C C 13 178.600 0.45 . . . . . A 136 ASN C . 25944 1 848 . 1 1 76 76 ASN CA C 13 56.310 0.45 . . . . . A 136 ASN CA . 25944 1 849 . 1 1 76 76 ASN N N 15 115.900 0.05 . . . . . A 136 ASN N . 25944 1 850 . 1 1 77 77 SER H H 1 8.512 0.01 . . . . . A 137 SER H . 25944 1 851 . 1 1 77 77 SER HA H 1 4.219 0.04 . . . . . A 137 SER HA . 25944 1 852 . 1 1 77 77 SER HB2 H 1 3.558 0.04 . . . . . A 137 SER HB2 . 25944 1 853 . 1 1 77 77 SER HB3 H 1 3.340 0.04 . . . . . A 137 SER HB3 . 25944 1 854 . 1 1 77 77 SER C C 13 176.800 0.45 . . . . . A 137 SER C . 25944 1 855 . 1 1 77 77 SER CA C 13 62.600 0.45 . . . . . A 137 SER CA . 25944 1 856 . 1 1 77 77 SER N N 15 117.000 0.05 . . . . . A 137 SER N . 25944 1 857 . 1 1 78 78 TYR H H 1 8.299 0.04 . . . . . A 138 TYR H . 25944 1 858 . 1 1 78 78 TYR HA H 1 4.379 0.04 . . . . . A 138 TYR HA . 25944 1 859 . 1 1 78 78 TYR HB2 H 1 2.822 0.04 . . . . . A 138 TYR HB2 . 25944 1 860 . 1 1 78 78 TYR HB3 H 1 3.369 0.04 . . . . . A 138 TYR HB3 . 25944 1 861 . 1 1 78 78 TYR HD1 H 1 6.840 0.04 . . . . . A 138 TYR HD1 . 25944 1 862 . 1 1 78 78 TYR HD2 H 1 6.840 0.04 . . . . . A 138 TYR HD2 . 25944 1 863 . 1 1 78 78 TYR C C 13 176.600 0.45 . . . . . A 138 TYR C . 25944 1 864 . 1 1 78 78 TYR CA C 13 59.800 0.45 . . . . . A 138 TYR CA . 25944 1 865 . 1 1 78 78 TYR CB C 13 37.200 0.45 . . . . . A 138 TYR CB . 25944 1 866 . 1 1 78 78 TYR N N 15 125.400 0.05 . . . . . A 138 TYR N . 25944 1 867 . 1 1 79 79 MET H H 1 8.264 0.01 . . . . . A 139 MET H . 25944 1 868 . 1 1 79 79 MET HA H 1 3.421 0.04 . . . . . A 139 MET HA . 25944 1 869 . 1 1 79 79 MET HB2 H 1 2.165 0.04 . . . . . A 139 MET HB2 . 25944 1 870 . 1 1 79 79 MET HB3 H 1 1.852 0.04 . . . . . A 139 MET HB3 . 25944 1 871 . 1 1 79 79 MET HG2 H 1 2.816 0.04 . . . . . A 139 MET HG2 . 25944 1 872 . 1 1 79 79 MET HG3 H 1 2.234 0.04 . . . . . A 139 MET HG3 . 25944 1 873 . 1 1 79 79 MET HE1 H 1 1.690 0.04 . . . . . A 139 MET HE1 . 25944 1 874 . 1 1 79 79 MET HE2 H 1 1.690 0.04 . . . . . A 139 MET HE2 . 25944 1 875 . 1 1 79 79 MET HE3 H 1 1.690 0.04 . . . . . A 139 MET HE3 . 25944 1 876 . 1 1 79 79 MET C C 13 178.400 0.45 . . . . . A 139 MET C . 25944 1 877 . 1 1 79 79 MET CA C 13 60.400 0.45 . . . . . A 139 MET CA . 25944 1 878 . 1 1 79 79 MET CB C 13 32.750 0.45 . . . . . A 139 MET CB . 25944 1 879 . 1 1 79 79 MET CG C 13 31.200 0.45 . . . . . A 139 MET CG . 25944 1 880 . 1 1 79 79 MET N N 15 118.400 0.06 . . . . . A 139 MET N . 25944 1 881 . 1 1 80 80 MET H H 1 7.907 0.01 . . . . . A 140 MET H . 25944 1 882 . 1 1 80 80 MET HA H 1 4.136 0.04 . . . . . A 140 MET HA . 25944 1 883 . 1 1 80 80 MET HB2 H 1 2.121 0.04 . . . . . A 140 MET HB2 . 25944 1 884 . 1 1 80 80 MET HB3 H 1 1.750 0.04 . . . . . A 140 MET HB3 . 25944 1 885 . 1 1 80 80 MET HG2 H 1 2.667 0.04 . . . . . A 140 MET HG2 . 25944 1 886 . 1 1 80 80 MET HG3 H 1 2.667 0.04 . . . . . A 140 MET HG3 . 25944 1 887 . 1 1 80 80 MET C C 13 179.418 0.45 . . . . . A 140 MET C . 25944 1 888 . 1 1 80 80 MET CA C 13 58.419 0.45 . . . . . A 140 MET CA . 25944 1 889 . 1 1 80 80 MET CB C 13 32.400 0.45 . . . . . A 140 MET CB . 25944 1 890 . 1 1 80 80 MET N N 15 117.172 0.07 . . . . . A 140 MET N . 25944 1 891 . 1 1 81 81 HIS H H 1 8.115 0.01 . . . . . A 141 HIS H . 25944 1 892 . 1 1 81 81 HIS HA H 1 4.123 0.04 . . . . . A 141 HIS HA . 25944 1 893 . 1 1 81 81 HIS HB2 H 1 3.413 0.04 . . . . . A 141 HIS HB2 . 25944 1 894 . 1 1 81 81 HIS HB3 H 1 3.113 0.04 . . . . . A 141 HIS HB3 . 25944 1 895 . 1 1 81 81 HIS C C 13 177.339 0.45 . . . . . A 141 HIS C . 25944 1 896 . 1 1 81 81 HIS CA C 13 60.130 0.45 . . . . . A 141 HIS CA . 25944 1 897 . 1 1 81 81 HIS CB C 13 29.556 0.45 . . . . . A 141 HIS CB . 25944 1 898 . 1 1 81 81 HIS N N 15 121.510 0.14 . . . . . A 141 HIS N . 25944 1 899 . 1 1 82 82 LEU H H 1 7.979 0.01 . . . . . A 142 LEU H . 25944 1 900 . 1 1 82 82 LEU HA H 1 3.856 0.04 . . . . . A 142 LEU HA . 25944 1 901 . 1 1 82 82 LEU HB2 H 1 1.591 0.04 . . . . . A 142 LEU HB2 . 25944 1 902 . 1 1 82 82 LEU HB3 H 1 1.219 0.04 . . . . . A 142 LEU HB3 . 25944 1 903 . 1 1 82 82 LEU HG H 1 1.009 0.04 . . . . . A 142 LEU HG . 25944 1 904 . 1 1 82 82 LEU HD11 H 1 0.714 0.04 . . . . . A 142 LEU HD11 . 25944 1 905 . 1 1 82 82 LEU HD12 H 1 0.714 0.04 . . . . . A 142 LEU HD12 . 25944 1 906 . 1 1 82 82 LEU HD13 H 1 0.714 0.04 . . . . . A 142 LEU HD13 . 25944 1 907 . 1 1 82 82 LEU HD21 H 1 0.303 0.04 . . . . . A 142 LEU HD21 . 25944 1 908 . 1 1 82 82 LEU HD22 H 1 0.303 0.04 . . . . . A 142 LEU HD22 . 25944 1 909 . 1 1 82 82 LEU HD23 H 1 0.303 0.04 . . . . . A 142 LEU HD23 . 25944 1 910 . 1 1 82 82 LEU C C 13 178.330 0.45 . . . . . A 142 LEU C . 25944 1 911 . 1 1 82 82 LEU CA C 13 56.000 0.45 . . . . . A 142 LEU CA . 25944 1 912 . 1 1 82 82 LEU CB C 13 42.503 0.45 . . . . . A 142 LEU CB . 25944 1 913 . 1 1 82 82 LEU CG C 13 27.000 0.45 . . . . . A 142 LEU CG . 25944 1 914 . 1 1 82 82 LEU CD1 C 13 21.400 0.45 . . . . . A 142 LEU CD1 . 25944 1 915 . 1 1 82 82 LEU CD2 C 13 25.390 0.45 . . . . . A 142 LEU CD2 . 25944 1 916 . 1 1 82 82 LEU N N 15 117.015 0.06 . . . . . A 142 LEU N . 25944 1 917 . 1 1 83 83 GLY H H 1 7.755 0.04 . . . . . A 143 GLY H . 25944 1 918 . 1 1 83 83 GLY HA2 H 1 3.908 0.04 . . . . . A 143 GLY HA2 . 25944 1 919 . 1 1 83 83 GLY HA3 H 1 3.812 0.04 . . . . . A 143 GLY HA3 . 25944 1 920 . 1 1 83 83 GLY C C 13 174.964 0.45 . . . . . A 143 GLY C . 25944 1 921 . 1 1 83 83 GLY CA C 13 45.799 0.45 . . . . . A 143 GLY CA . 25944 1 922 . 1 1 83 83 GLY N N 15 106.661 0.13 . . . . . A 143 GLY N . 25944 1 923 . 1 1 84 84 LEU H H 1 7.568 0.04 . . . . . A 144 LEU H . 25944 1 924 . 1 1 84 84 LEU HA H 1 4.399 0.04 . . . . . A 144 LEU HA . 25944 1 925 . 1 1 84 84 LEU HB2 H 1 1.526 0.04 . . . . . A 144 LEU HB2 . 25944 1 926 . 1 1 84 84 LEU HB3 H 1 1.526 0.04 . . . . . A 144 LEU HB3 . 25944 1 927 . 1 1 84 84 LEU HG H 1 1.572 0.04 . . . . . A 144 LEU HG . 25944 1 928 . 1 1 84 84 LEU HD11 H 1 0.796 0.04 . . . . . A 144 LEU HD11 . 25944 1 929 . 1 1 84 84 LEU HD12 H 1 0.796 0.04 . . . . . A 144 LEU HD12 . 25944 1 930 . 1 1 84 84 LEU HD13 H 1 0.796 0.04 . . . . . A 144 LEU HD13 . 25944 1 931 . 1 1 84 84 LEU HD21 H 1 0.765 0.04 . . . . . A 144 LEU HD21 . 25944 1 932 . 1 1 84 84 LEU HD22 H 1 0.765 0.04 . . . . . A 144 LEU HD22 . 25944 1 933 . 1 1 84 84 LEU HD23 H 1 0.765 0.04 . . . . . A 144 LEU HD23 . 25944 1 934 . 1 1 84 84 LEU C C 13 177.302 0.45 . . . . . A 144 LEU C . 25944 1 935 . 1 1 84 84 LEU CA C 13 55.048 0.45 . . . . . A 144 LEU CA . 25944 1 936 . 1 1 84 84 LEU CB C 13 42.662 0.45 . . . . . A 144 LEU CB . 25944 1 937 . 1 1 84 84 LEU CG C 13 26.310 0.45 . . . . . A 144 LEU CG . 25944 1 938 . 1 1 84 84 LEU CD1 C 13 25.729 0.45 . . . . . A 144 LEU CD1 . 25944 1 939 . 1 1 84 84 LEU CD2 C 13 22.991 0.45 . . . . . A 144 LEU CD2 . 25944 1 940 . 1 1 84 84 LEU N N 15 120.273 0.02 . . . . . A 144 LEU N . 25944 1 941 . 1 1 85 85 THR H H 1 8.005 0.01 . . . . . A 145 THR H . 25944 1 942 . 1 1 85 85 THR HA H 1 4.291 0.04 . . . . . A 145 THR HA . 25944 1 943 . 1 1 85 85 THR HB H 1 4.141 0.04 . . . . . A 145 THR HB . 25944 1 944 . 1 1 85 85 THR HG21 H 1 1.094 0.04 . . . . . A 145 THR HG21 . 25944 1 945 . 1 1 85 85 THR HG22 H 1 1.094 0.04 . . . . . A 145 THR HG22 . 25944 1 946 . 1 1 85 85 THR HG23 H 1 1.094 0.04 . . . . . A 145 THR HG23 . 25944 1 947 . 1 1 85 85 THR C C 13 175.115 0.45 . . . . . A 145 THR C . 25944 1 948 . 1 1 85 85 THR CA C 13 62.122 0.45 . . . . . A 145 THR CA . 25944 1 949 . 1 1 85 85 THR CB C 13 69.882 0.45 . . . . . A 145 THR CB . 25944 1 950 . 1 1 85 85 THR CG2 C 13 21.470 0.45 . . . . . A 145 THR CG2 . 25944 1 951 . 1 1 85 85 THR N N 15 111.602 0.17 . . . . . A 145 THR N . 25944 1 952 . 1 1 86 86 GLY H H 1 8.246 0.04 . . . . . A 146 GLY H . 25944 1 953 . 1 1 86 86 GLY HA2 H 1 3.922 0.04 . . . . . A 146 GLY HA2 . 25944 1 954 . 1 1 86 86 GLY HA3 H 1 3.839 0.04 . . . . . A 146 GLY HA3 . 25944 1 955 . 1 1 86 86 GLY C C 13 173.491 0.45 . . . . . A 146 GLY C . 25944 1 956 . 1 1 86 86 GLY CA C 13 45.335 0.45 . . . . . A 146 GLY CA . 25944 1 957 . 1 1 86 86 GLY N N 15 110.816 0.02 . . . . . A 146 GLY N . 25944 1 958 . 1 1 87 87 TYR H H 1 7.935 0.04 . . . . . A 147 TYR H . 25944 1 959 . 1 1 87 87 TYR HA H 1 4.505 0.04 . . . . . A 147 TYR HA . 25944 1 960 . 1 1 87 87 TYR HB2 H 1 2.901 0.04 . . . . . A 147 TYR HB2 . 25944 1 961 . 1 1 87 87 TYR HB3 H 1 2.901 0.04 . . . . . A 147 TYR HB3 . 25944 1 962 . 1 1 87 87 TYR HD1 H 1 7.027 0.04 . . . . . A 147 TYR HD1 . 25944 1 963 . 1 1 87 87 TYR HD2 H 1 7.027 0.04 . . . . . A 147 TYR HD2 . 25944 1 964 . 1 1 87 87 TYR HE1 H 1 6.760 0.04 . . . . . A 147 TYR HE1 . 25944 1 965 . 1 1 87 87 TYR HE2 H 1 6.760 0.04 . . . . . A 147 TYR HE2 . 25944 1 966 . 1 1 87 87 TYR C C 13 175.166 0.45 . . . . . A 147 TYR C . 25944 1 967 . 1 1 87 87 TYR CA C 13 58.010 0.45 . . . . . A 147 TYR CA . 25944 1 968 . 1 1 87 87 TYR CB C 13 39.058 0.45 . . . . . A 147 TYR CB . 25944 1 969 . 1 1 87 87 TYR N N 15 119.845 0.03 . . . . . A 147 TYR N . 25944 1 970 . 1 1 88 88 GLU H H 1 8.205 0.01 . . . . . A 148 GLU H . 25944 1 971 . 1 1 88 88 GLU HA H 1 4.517 0.04 . . . . . A 148 GLU HA . 25944 1 972 . 1 1 88 88 GLU HB2 H 1 1.924 0.04 . . . . . A 148 GLU HB2 . 25944 1 973 . 1 1 88 88 GLU HB3 H 1 1.803 0.04 . . . . . A 148 GLU HB3 . 25944 1 974 . 1 1 88 88 GLU HG2 H 1 2.186 0.04 . . . . . A 148 GLU HG2 . 25944 1 975 . 1 1 88 88 GLU HG3 H 1 2.186 0.04 . . . . . A 148 GLU HG3 . 25944 1 976 . 1 1 88 88 GLU C C 13 174.024 0.45 . . . . . A 148 GLU C . 25944 1 977 . 1 1 88 88 GLU CA C 13 53.851 0.45 . . . . . A 148 GLU CA . 25944 1 978 . 1 1 88 88 GLU CB C 13 30.050 0.45 . . . . . A 148 GLU CB . 25944 1 979 . 1 1 88 88 GLU N N 15 125.299 0.13 . . . . . A 148 GLU N . 25944 1 980 . 1 1 89 89 PRO HA H 1 4.302 0.04 . . . . . A 149 PRO HA . 25944 1 981 . 1 1 89 89 PRO HB2 H 1 1.702 0.04 . . . . . A 149 PRO HB2 . 25944 1 982 . 1 1 89 89 PRO HB3 H 1 2.238 0.04 . . . . . A 149 PRO HB3 . 25944 1 983 . 1 1 89 89 PRO HG2 H 1 1.980 0.04 . . . . . A 149 PRO HG2 . 25944 1 984 . 1 1 89 89 PRO HG3 H 1 1.980 0.04 . . . . . A 149 PRO HG3 . 25944 1 985 . 1 1 89 89 PRO HD2 H 1 3.680 0.04 . . . . . A 149 PRO HD2 . 25944 1 986 . 1 1 89 89 PRO HD3 H 1 3.550 0.04 . . . . . A 149 PRO HD3 . 25944 1 987 . 1 1 89 89 PRO C C 13 176.800 0.45 . . . . . A 149 PRO C . 25944 1 988 . 1 1 89 89 PRO CA C 13 63.237 0.45 . . . . . A 149 PRO CA . 25944 1 989 . 1 1 89 89 PRO CB C 13 32.100 0.45 . . . . . A 149 PRO CB . 25944 1 990 . 1 1 89 89 PRO CG C 13 26.900 0.45 . . . . . A 149 PRO CG . 25944 1 991 . 1 1 89 89 PRO CD C 13 50.300 0.45 . . . . . A 149 PRO CD . 25944 1 992 . 1 1 90 90 ASN H H 1 8.649 0.01 . . . . . A 150 ASN H . 25944 1 993 . 1 1 90 90 ASN HA H 1 4.658 0.04 . . . . . A 150 ASN HA . 25944 1 994 . 1 1 90 90 ASN HB2 H 1 2.820 0.04 . . . . . A 150 ASN HB2 . 25944 1 995 . 1 1 90 90 ASN HB3 H 1 2.785 0.04 . . . . . A 150 ASN HB3 . 25944 1 996 . 1 1 90 90 ASN HD21 H 1 6.800 0.04 . . . . . A 150 ASN HD21 . 25944 1 997 . 1 1 90 90 ASN HD22 H 1 6.800 0.04 . . . . . A 150 ASN HD22 . 25944 1 998 . 1 1 90 90 ASN C C 13 175.462 0.45 . . . . . A 150 ASN C . 25944 1 999 . 1 1 90 90 ASN CA C 13 53.497 0.45 . . . . . A 150 ASN CA . 25944 1 1000 . 1 1 90 90 ASN CB C 13 38.809 0.45 . . . . . A 150 ASN CB . 25944 1 1001 . 1 1 90 90 ASN N N 15 118.411 0.14 . . . . . A 150 ASN N . 25944 1 1002 . 1 1 91 91 SER H H 1 8.255 0.04 . . . . . A 151 SER H . 25944 1 1003 . 1 1 91 91 SER HA H 1 4.396 0.04 . . . . . A 151 SER HA . 25944 1 1004 . 1 1 91 91 SER HB2 H 1 3.900 0.04 . . . . . A 151 SER HB2 . 25944 1 1005 . 1 1 91 91 SER HB3 H 1 3.900 0.04 . . . . . A 151 SER HB3 . 25944 1 1006 . 1 1 91 91 SER C C 13 174.844 0.45 . . . . . A 151 SER C . 25944 1 1007 . 1 1 91 91 SER CA C 13 58.769 0.45 . . . . . A 151 SER CA . 25944 1 1008 . 1 1 91 91 SER CB C 13 63.927 0.45 . . . . . A 151 SER CB . 25944 1 1009 . 1 1 91 91 SER N N 15 116.049 0.08 . . . . . A 151 SER N . 25944 1 1010 . 1 1 92 92 SER H H 1 8.399 0.04 . . . . . A 152 SER H . 25944 1 1011 . 1 1 92 92 SER HA H 1 4.414 0.04 . . . . . A 152 SER HA . 25944 1 1012 . 1 1 92 92 SER HB2 H 1 3.882 0.04 . . . . . A 152 SER HB2 . 25944 1 1013 . 1 1 92 92 SER HB3 H 1 3.882 0.04 . . . . . A 152 SER HB3 . 25944 1 1014 . 1 1 92 92 SER C C 13 174.749 0.45 . . . . . A 152 SER C . 25944 1 1015 . 1 1 92 92 SER CA C 13 58.651 0.45 . . . . . A 152 SER CA . 25944 1 1016 . 1 1 92 92 SER CB C 13 63.952 0.45 . . . . . A 152 SER CB . 25944 1 1017 . 1 1 92 92 SER N N 15 117.736 0.06 . . . . . A 152 SER N . 25944 1 1018 . 1 1 93 93 SER H H 1 8.308 0.04 . . . . . A 153 SER H . 25944 1 1019 . 1 1 93 93 SER HA H 1 4.437 0.04 . . . . . A 153 SER HA . 25944 1 1020 . 1 1 93 93 SER HB2 H 1 3.882 0.04 . . . . . A 153 SER HB2 . 25944 1 1021 . 1 1 93 93 SER HB3 H 1 3.882 0.04 . . . . . A 153 SER HB3 . 25944 1 1022 . 1 1 93 93 SER C C 13 174.918 0.45 . . . . . A 153 SER C . 25944 1 1023 . 1 1 93 93 SER CA C 13 58.696 0.45 . . . . . A 153 SER CA . 25944 1 1024 . 1 1 93 93 SER CB C 13 63.822 0.45 . . . . . A 153 SER CB . 25944 1 1025 . 1 1 93 93 SER N N 15 117.731 0.03 . . . . . A 153 SER N . 25944 1 1026 . 1 1 94 94 VAL H H 1 8.026 0.04 . . . . . A 154 VAL H . 25944 1 1027 . 1 1 94 94 VAL HA H 1 4.020 0.04 . . . . . A 154 VAL HA . 25944 1 1028 . 1 1 94 94 VAL HB H 1 2.073 0.04 . . . . . A 154 VAL HB . 25944 1 1029 . 1 1 94 94 VAL HG11 H 1 0.910 0.04 . . . . . A 154 VAL HG11 . 25944 1 1030 . 1 1 94 94 VAL HG12 H 1 0.910 0.04 . . . . . A 154 VAL HG12 . 25944 1 1031 . 1 1 94 94 VAL HG13 H 1 0.910 0.04 . . . . . A 154 VAL HG13 . 25944 1 1032 . 1 1 94 94 VAL HG21 H 1 0.910 0.04 . . . . . A 154 VAL HG21 . 25944 1 1033 . 1 1 94 94 VAL HG22 H 1 0.910 0.04 . . . . . A 154 VAL HG22 . 25944 1 1034 . 1 1 94 94 VAL HG23 H 1 0.910 0.04 . . . . . A 154 VAL HG23 . 25944 1 1035 . 1 1 94 94 VAL C C 13 176.301 0.45 . . . . . A 154 VAL C . 25944 1 1036 . 1 1 94 94 VAL CA C 13 63.176 0.45 . . . . . A 154 VAL CA . 25944 1 1037 . 1 1 94 94 VAL CB C 13 32.797 0.45 . . . . . A 154 VAL CB . 25944 1 1038 . 1 1 94 94 VAL CG1 C 13 21.200 0.45 . . . . . A 154 VAL CG1 . 25944 1 1039 . 1 1 94 94 VAL CG2 C 13 20.600 0.45 . . . . . A 154 VAL CG2 . 25944 1 1040 . 1 1 94 94 VAL N N 15 121.028 0.07 . . . . . A 154 VAL N . 25944 1 1041 . 1 1 95 95 ASP H H 1 8.274 0.04 . . . . . A 155 ASP H . 25944 1 1042 . 1 1 95 95 ASP HA H 1 4.537 0.04 . . . . . A 155 ASP HA . 25944 1 1043 . 1 1 95 95 ASP HB2 H 1 2.594 0.04 . . . . . A 155 ASP HB2 . 25944 1 1044 . 1 1 95 95 ASP HB3 H 1 2.684 0.04 . . . . . A 155 ASP HB3 . 25944 1 1045 . 1 1 95 95 ASP C C 13 176.937 0.45 . . . . . A 155 ASP C . 25944 1 1046 . 1 1 95 95 ASP CA C 13 54.806 0.45 . . . . . A 155 ASP CA . 25944 1 1047 . 1 1 95 95 ASP CB C 13 41.014 0.45 . . . . . A 155 ASP CB . 25944 1 1048 . 1 1 95 95 ASP N N 15 122.997 0.12 . . . . . A 155 ASP N . 25944 1 1049 . 1 1 96 96 LYS H H 1 8.159 0.01 . . . . . A 156 LYS H . 25944 1 1050 . 1 1 96 96 LYS HA H 1 4.163 0.04 . . . . . A 156 LYS HA . 25944 1 1051 . 1 1 96 96 LYS HB2 H 1 1.775 0.04 . . . . . A 156 LYS HB2 . 25944 1 1052 . 1 1 96 96 LYS HB3 H 1 1.775 0.04 . . . . . A 156 LYS HB3 . 25944 1 1053 . 1 1 96 96 LYS HG2 H 1 1.381 0.04 . . . . . A 156 LYS HG2 . 25944 1 1054 . 1 1 96 96 LYS HG3 H 1 1.381 0.04 . . . . . A 156 LYS HG3 . 25944 1 1055 . 1 1 96 96 LYS HE2 H 1 2.990 0.04 . . . . . A 156 LYS HE2 . 25944 1 1056 . 1 1 96 96 LYS HE3 H 1 2.990 0.04 . . . . . A 156 LYS HE3 . 25944 1 1057 . 1 1 96 96 LYS C C 13 177.534 0.45 . . . . . A 156 LYS C . 25944 1 1058 . 1 1 96 96 LYS CA C 13 57.500 0.45 . . . . . A 156 LYS CA . 25944 1 1059 . 1 1 96 96 LYS CB C 13 32.171 0.45 . . . . . A 156 LYS CB . 25944 1 1060 . 1 1 96 96 LYS CG C 13 24.573 0.45 . . . . . A 156 LYS CG . 25944 1 1061 . 1 1 96 96 LYS N N 15 121.796 0.06 . . . . . A 156 LYS N . 25944 1 1062 . 1 1 97 97 LEU H H 1 8.097 0.01 . . . . . A 157 LEU H . 25944 1 1063 . 1 1 97 97 LEU HA H 1 4.216 0.04 . . . . . A 157 LEU HA . 25944 1 1064 . 1 1 97 97 LEU HB2 H 1 1.679 0.04 . . . . . A 157 LEU HB2 . 25944 1 1065 . 1 1 97 97 LEU HB3 H 1 1.679 0.04 . . . . . A 157 LEU HB3 . 25944 1 1066 . 1 1 97 97 LEU HG H 1 1.580 0.04 . . . . . A 157 LEU HG . 25944 1 1067 . 1 1 97 97 LEU HD11 H 1 0.893 0.04 . . . . . A 157 LEU HD11 . 25944 1 1068 . 1 1 97 97 LEU HD12 H 1 0.893 0.04 . . . . . A 157 LEU HD12 . 25944 1 1069 . 1 1 97 97 LEU HD13 H 1 0.893 0.04 . . . . . A 157 LEU HD13 . 25944 1 1070 . 1 1 97 97 LEU HD21 H 1 0.826 0.04 . . . . . A 157 LEU HD21 . 25944 1 1071 . 1 1 97 97 LEU HD22 H 1 0.826 0.04 . . . . . A 157 LEU HD22 . 25944 1 1072 . 1 1 97 97 LEU HD23 H 1 0.826 0.04 . . . . . A 157 LEU HD23 . 25944 1 1073 . 1 1 97 97 LEU C C 13 177.892 0.45 . . . . . A 157 LEU C . 25944 1 1074 . 1 1 97 97 LEU CA C 13 56.024 0.45 . . . . . A 157 LEU CA . 25944 1 1075 . 1 1 97 97 LEU CB C 13 41.755 0.45 . . . . . A 157 LEU CB . 25944 1 1076 . 1 1 97 97 LEU CD1 C 13 25.000 0.45 . . . . . A 157 LEU CD1 . 25944 1 1077 . 1 1 97 97 LEU CD2 C 13 23.500 0.45 . . . . . A 157 LEU CD2 . 25944 1 1078 . 1 1 97 97 LEU N N 15 121.703 0.14 . . . . . A 157 LEU N . 25944 1 1079 . 1 1 98 98 ALA H H 1 7.998 0.04 . . . . . A 158 ALA H . 25944 1 1080 . 1 1 98 98 ALA HA H 1 4.158 0.04 . . . . . A 158 ALA HA . 25944 1 1081 . 1 1 98 98 ALA HB1 H 1 1.378 0.04 . . . . . A 158 ALA HB1 . 25944 1 1082 . 1 1 98 98 ALA HB2 H 1 1.378 0.04 . . . . . A 158 ALA HB2 . 25944 1 1083 . 1 1 98 98 ALA HB3 H 1 1.378 0.04 . . . . . A 158 ALA HB3 . 25944 1 1084 . 1 1 98 98 ALA C C 13 178.590 0.45 . . . . . A 158 ALA C . 25944 1 1085 . 1 1 98 98 ALA CA C 13 53.201 0.45 . . . . . A 158 ALA CA . 25944 1 1086 . 1 1 98 98 ALA CB C 13 18.643 0.45 . . . . . A 158 ALA CB . 25944 1 1087 . 1 1 98 98 ALA N N 15 123.261 0.24 . . . . . A 158 ALA N . 25944 1 1088 . 1 1 99 99 ALA H H 1 8.009 0.01 . . . . . A 159 ALA H . 25944 1 1089 . 1 1 99 99 ALA HA H 1 4.173 0.04 . . . . . A 159 ALA HA . 25944 1 1090 . 1 1 99 99 ALA HB1 H 1 1.372 0.04 . . . . . A 159 ALA HB1 . 25944 1 1091 . 1 1 99 99 ALA HB2 H 1 1.372 0.04 . . . . . A 159 ALA HB2 . 25944 1 1092 . 1 1 99 99 ALA HB3 H 1 1.372 0.04 . . . . . A 159 ALA HB3 . 25944 1 1093 . 1 1 99 99 ALA C C 13 178.303 0.45 . . . . . A 159 ALA C . 25944 1 1094 . 1 1 99 99 ALA CA C 13 53.182 0.45 . . . . . A 159 ALA CA . 25944 1 1095 . 1 1 99 99 ALA CB C 13 18.638 0.45 . . . . . A 159 ALA CB . 25944 1 1096 . 1 1 99 99 ALA N N 15 121.686 0.06 . . . . . A 159 ALA N . 25944 1 1097 . 1 1 100 100 ALA H H 1 7.950 0.01 . . . . . A 160 ALA H . 25944 1 1098 . 1 1 100 100 ALA HA H 1 4.218 0.04 . . . . . A 160 ALA HA . 25944 1 1099 . 1 1 100 100 ALA HB1 H 1 1.382 0.04 . . . . . A 160 ALA HB1 . 25944 1 1100 . 1 1 100 100 ALA HB2 H 1 1.382 0.04 . . . . . A 160 ALA HB2 . 25944 1 1101 . 1 1 100 100 ALA HB3 H 1 1.382 0.04 . . . . . A 160 ALA HB3 . 25944 1 1102 . 1 1 100 100 ALA C C 13 178.276 0.45 . . . . . A 160 ALA C . 25944 1 1103 . 1 1 100 100 ALA CA C 13 52.889 0.45 . . . . . A 160 ALA CA . 25944 1 1104 . 1 1 100 100 ALA CB C 13 18.756 0.45 . . . . . A 160 ALA CB . 25944 1 1105 . 1 1 100 100 ALA N N 15 121.570 0.28 . . . . . A 160 ALA N . 25944 1 1106 . 1 1 101 101 LEU H H 1 7.931 0.01 . . . . . A 161 LEU H . 25944 1 1107 . 1 1 101 101 LEU HA H 1 4.223 0.04 . . . . . A 161 LEU HA . 25944 1 1108 . 1 1 101 101 LEU HB2 H 1 1.618 0.04 . . . . . A 161 LEU HB2 . 25944 1 1109 . 1 1 101 101 LEU HB3 H 1 1.618 0.04 . . . . . A 161 LEU HB3 . 25944 1 1110 . 1 1 101 101 LEU HD11 H 1 0.896 0.04 . . . . . A 161 LEU HD11 . 25944 1 1111 . 1 1 101 101 LEU HD12 H 1 0.896 0.04 . . . . . A 161 LEU HD12 . 25944 1 1112 . 1 1 101 101 LEU HD13 H 1 0.896 0.04 . . . . . A 161 LEU HD13 . 25944 1 1113 . 1 1 101 101 LEU HD21 H 1 0.831 0.04 . . . . . A 161 LEU HD21 . 25944 1 1114 . 1 1 101 101 LEU HD22 H 1 0.831 0.04 . . . . . A 161 LEU HD22 . 25944 1 1115 . 1 1 101 101 LEU HD23 H 1 0.831 0.04 . . . . . A 161 LEU HD23 . 25944 1 1116 . 1 1 101 101 LEU C C 13 177.673 0.45 . . . . . A 161 LEU C . 25944 1 1117 . 1 1 101 101 LEU CA C 13 55.529 0.45 . . . . . A 161 LEU CA . 25944 1 1118 . 1 1 101 101 LEU CB C 13 42.213 0.45 . . . . . A 161 LEU CB . 25944 1 1119 . 1 1 101 101 LEU CD1 C 13 24.590 0.45 . . . . . A 161 LEU CD1 . 25944 1 1120 . 1 1 101 101 LEU N N 15 120.160 0.14 . . . . . A 161 LEU N . 25944 1 1121 . 1 1 102 102 GLU H H 1 8.036 0.04 . . . . . A 162 GLU H . 25944 1 1122 . 1 1 102 102 GLU C C 13 176.399 0.45 . . . . . A 162 GLU C . 25944 1 1123 . 1 1 102 102 GLU CA C 13 56.788 0.45 . . . . . A 162 GLU CA . 25944 1 1124 . 1 1 102 102 GLU CB C 13 30.000 0.45 . . . . . A 162 GLU CB . 25944 1 1125 . 1 1 102 102 GLU N N 15 120.515 0.36 . . . . . A 162 GLU N . 25944 1 stop_ save_