data_50167 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50167 _Entry.Title ; DnaJB1 J-domain+G/F rich region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-26 _Entry.Accession_date 2020-01-26 _Entry.Last_release_date 2020-01-27 _Entry.Original_release_date 2020-01-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone and side chains assignment of DnaJB1 J-domain plus the G/F rich region' _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 Rina Rosenzweig . . . . 50167 2 Meital Abayev-Avraham . . . . 50167 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Weizmann Institute for Science' . 50167 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50167 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 50167 '15N chemical shifts' 93 50167 '1H chemical shifts' 515 50167 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 3 . . 2021-07-13 2020-01-26 update BMRB 'update entry citation' 50167 2 . . 2020-11-17 2020-01-26 update author 'update entry citation' 50167 1 . . 2020-11-11 2020-01-26 original author 'original release' 50167 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50168 'J-domain region of DnaJA2' 50167 BMRB 50169 'DnaJB1 J-domain' 50167 PDB 6Z5N 'DnaJB1 J-domain+G/F rich region' 50167 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50167 _Citation.ID 1 _Citation.Name 'Hsp40s employ class-specific regulation to drive Hsp70 functional diversity' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33177718 _Citation.DOI 10.1038/s41586-020-2906-4 _Citation.Full_citation . _Citation.Title ; Hsp40s employ class-specific regulation to drive Hsp70 functional diversity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 587 _Citation.Journal_issue 7834 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 489 _Citation.Page_last 494 _Citation.Year 2020 _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 Ofrah Faust . . . . 50167 1 2 Meital Abayev-Avraham . . . . 50167 1 3 Anne Wentink . . . . 50167 1 4 Michael Maurer . . . . 50167 1 5 Nadinath Nillegoda . B. . . 50167 1 6 Nir London . . . . 50167 1 7 Bernd Bukau . . . . 50167 1 8 Rina Rosenzweig . . . . 50167 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Hsp40, Hsp70, DnaJB1, Chaperone' 50167 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50167 _Assembly.ID 1 _Assembly.Name 'DnaJB1 J-domain+G/F rich region' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12169 _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 'DnaJB1 J-domain+G/F rich region' 1 $entity_1_B1GF . . yes native no no . . . 50167 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1_B1GF _Entity.Sf_category entity _Entity.Sf_framecode entity_1_B1GF _Entity.Entry_ID 50167 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name B1GF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID Chain_A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GKDYYQTLGLARGASDEEIK RAYRRQALRYHPDKNKEPGA EEKFKEIAEAYDVLSDPRKR EIFDRYGEEGLKGSGPSGGS GGGANGTSFSYTFHGDPHAM FAEFFGGRN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 2-111 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 2 GLY . 50167 1 2 3 LYS . 50167 1 3 4 ASP . 50167 1 4 5 TYR . 50167 1 5 6 TYR . 50167 1 6 7 GLN . 50167 1 7 8 THR . 50167 1 8 9 LEU . 50167 1 9 10 GLY . 50167 1 10 11 LEU . 50167 1 11 12 ALA . 50167 1 12 13 ARG . 50167 1 13 14 GLY . 50167 1 14 15 ALA . 50167 1 15 16 SER . 50167 1 16 17 ASP . 50167 1 17 18 GLU . 50167 1 18 19 GLU . 50167 1 19 20 ILE . 50167 1 20 21 LYS . 50167 1 21 22 ARG . 50167 1 22 23 ALA . 50167 1 23 24 TYR . 50167 1 24 25 ARG . 50167 1 25 26 ARG . 50167 1 26 27 GLN . 50167 1 27 28 ALA . 50167 1 28 29 LEU . 50167 1 29 30 ARG . 50167 1 30 31 TYR . 50167 1 31 32 HIS . 50167 1 32 33 PRO . 50167 1 33 34 ASP . 50167 1 34 35 LYS . 50167 1 35 36 ASN . 50167 1 36 37 LYS . 50167 1 37 38 GLU . 50167 1 38 39 PRO . 50167 1 39 40 GLY . 50167 1 40 41 ALA . 50167 1 41 42 GLU . 50167 1 42 43 GLU . 50167 1 43 44 LYS . 50167 1 44 45 PHE . 50167 1 45 46 LYS . 50167 1 46 47 GLU . 50167 1 47 48 ILE . 50167 1 48 49 ALA . 50167 1 49 50 GLU . 50167 1 50 51 ALA . 50167 1 51 52 TYR . 50167 1 52 53 ASP . 50167 1 53 54 VAL . 50167 1 54 55 LEU . 50167 1 55 56 SER . 50167 1 56 57 ASP . 50167 1 57 58 PRO . 50167 1 58 59 ARG . 50167 1 59 60 LYS . 50167 1 60 61 ARG . 50167 1 61 62 GLU . 50167 1 62 63 ILE . 50167 1 63 64 PHE . 50167 1 64 65 ASP . 50167 1 65 66 ARG . 50167 1 66 67 TYR . 50167 1 67 68 GLY . 50167 1 68 69 GLU . 50167 1 69 70 GLU . 50167 1 70 71 GLY . 50167 1 71 72 LEU . 50167 1 72 73 LYS . 50167 1 73 74 GLY . 50167 1 74 75 SER . 50167 1 75 76 GLY . 50167 1 76 77 PRO . 50167 1 77 78 SER . 50167 1 78 79 GLY . 50167 1 79 80 GLY . 50167 1 80 81 SER . 50167 1 81 82 GLY . 50167 1 82 83 GLY . 50167 1 83 84 GLY . 50167 1 84 85 ALA . 50167 1 85 86 ASN . 50167 1 86 87 GLY . 50167 1 87 88 THR . 50167 1 88 89 SER . 50167 1 89 90 PHE . 50167 1 90 91 SER . 50167 1 91 92 TYR . 50167 1 92 93 THR . 50167 1 93 94 PHE . 50167 1 94 95 HIS . 50167 1 95 96 GLY . 50167 1 96 97 ASP . 50167 1 97 98 PRO . 50167 1 98 99 HIS . 50167 1 99 100 ALA . 50167 1 100 101 MET . 50167 1 101 102 PHE . 50167 1 102 103 ALA . 50167 1 103 104 GLU . 50167 1 104 105 PHE . 50167 1 105 106 PHE . 50167 1 106 107 GLY . 50167 1 107 108 GLY . 50167 1 108 109 ARG . 50167 1 109 110 ASN . 50167 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50167 1 . LYS 2 2 50167 1 . ASP 3 3 50167 1 . TYR 4 4 50167 1 . TYR 5 5 50167 1 . GLN 6 6 50167 1 . THR 7 7 50167 1 . LEU 8 8 50167 1 . GLY 9 9 50167 1 . LEU 10 10 50167 1 . ALA 11 11 50167 1 . ARG 12 12 50167 1 . GLY 13 13 50167 1 . ALA 14 14 50167 1 . SER 15 15 50167 1 . ASP 16 16 50167 1 . GLU 17 17 50167 1 . GLU 18 18 50167 1 . ILE 19 19 50167 1 . LYS 20 20 50167 1 . ARG 21 21 50167 1 . ALA 22 22 50167 1 . TYR 23 23 50167 1 . ARG 24 24 50167 1 . ARG 25 25 50167 1 . GLN 26 26 50167 1 . ALA 27 27 50167 1 . LEU 28 28 50167 1 . ARG 29 29 50167 1 . TYR 30 30 50167 1 . HIS 31 31 50167 1 . PRO 32 32 50167 1 . ASP 33 33 50167 1 . LYS 34 34 50167 1 . ASN 35 35 50167 1 . LYS 36 36 50167 1 . GLU 37 37 50167 1 . PRO 38 38 50167 1 . GLY 39 39 50167 1 . ALA 40 40 50167 1 . GLU 41 41 50167 1 . GLU 42 42 50167 1 . LYS 43 43 50167 1 . PHE 44 44 50167 1 . LYS 45 45 50167 1 . GLU 46 46 50167 1 . ILE 47 47 50167 1 . ALA 48 48 50167 1 . GLU 49 49 50167 1 . ALA 50 50 50167 1 . TYR 51 51 50167 1 . ASP 52 52 50167 1 . VAL 53 53 50167 1 . LEU 54 54 50167 1 . SER 55 55 50167 1 . ASP 56 56 50167 1 . PRO 57 57 50167 1 . ARG 58 58 50167 1 . LYS 59 59 50167 1 . ARG 60 60 50167 1 . GLU 61 61 50167 1 . ILE 62 62 50167 1 . PHE 63 63 50167 1 . ASP 64 64 50167 1 . ARG 65 65 50167 1 . TYR 66 66 50167 1 . GLY 67 67 50167 1 . GLU 68 68 50167 1 . GLU 69 69 50167 1 . GLY 70 70 50167 1 . LEU 71 71 50167 1 . LYS 72 72 50167 1 . GLY 73 73 50167 1 . SER 74 74 50167 1 . GLY 75 75 50167 1 . PRO 76 76 50167 1 . SER 77 77 50167 1 . GLY 78 78 50167 1 . GLY 79 79 50167 1 . SER 80 80 50167 1 . GLY 81 81 50167 1 . GLY 82 82 50167 1 . GLY 83 83 50167 1 . ALA 84 84 50167 1 . ASN 85 85 50167 1 . GLY 86 86 50167 1 . THR 87 87 50167 1 . SER 88 88 50167 1 . PHE 89 89 50167 1 . SER 90 90 50167 1 . TYR 91 91 50167 1 . THR 92 92 50167 1 . PHE 93 93 50167 1 . HIS 94 94 50167 1 . GLY 95 95 50167 1 . ASP 96 96 50167 1 . PRO 97 97 50167 1 . HIS 98 98 50167 1 . ALA 99 99 50167 1 . MET 100 100 50167 1 . PHE 101 101 50167 1 . ALA 102 102 50167 1 . GLU 103 103 50167 1 . PHE 104 104 50167 1 . PHE 105 105 50167 1 . GLY 106 106 50167 1 . GLY 107 107 50167 1 . ARG 108 108 50167 1 . ASN 109 109 50167 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50167 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1_B1GF . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50167 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50167 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1_B1GF . 'recombinant technology' 'Escherichia coli' . . . . . . . . plasmid . . pPET29b . . . 50167 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50167 _Sample.ID 1 _Sample.Name Sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 DnaJB1GF '[U-15N; U-13C]' . . 1 $entity_1_B1GF . . 4 . . mM . . . . 50167 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 50167 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50167 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 50167 1 5 D2O [U-2H] . . . . . . 10 . . % . . . . 50167 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50167 _Sample.ID 2 _Sample.Name Sample_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '99.9% 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 DnaJB1GF [U-15N;U-13C] . . 1 $entity_1_B1GF . . 4 . . mM . . . . 50167 2 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 50167 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50167 2 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 50167 2 5 D2O [U-2H] . . . . . . 99.9 . . % . . . . 50167 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50167 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_1 _Sample_condition_list.Details '4mM 15N, 13C-DnaJB1GF, in 50mM HEPES buffer pH 7.5' 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' 50 . mM 50167 1 pH 7.5 . pH 50167 1 pressure 1 . atm 50167 1 temperature 298 . K 50167 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1_TOPSPIN _Software.Sf_category software _Software.Sf_framecode software_1_TOPSPIN _Software.Entry_ID 50167 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50167 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50167 1 processing . 50167 1 stop_ save_ save_software_2_CcpNMR _Software.Sf_category software _Software.Sf_framecode software_2_CcpNMR _Software.Entry_ID 50167 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50167 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50167 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_18.8T _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1_18.8T _NMR_spectrometer.Entry_ID 50167 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 18.8T _NMR_spectrometer.Details '800 MHz Bruker spectrometer equipped with triple resonance single (z) gradient cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2_14.1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2_14.1 _NMR_spectrometer.Entry_ID 50167 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 14.1 _NMR_spectrometer.Details '600 MHz Bruker spectrometer' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3_23.5T _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3_23.5T _NMR_spectrometer.Entry_ID 50167 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 23.5T _NMR_spectrometer.Details '1GHz Bruker spectrometer equipped with triple resonance single (z) gradient cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1000 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50167 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2_14.1 . . . . . . . . . . . . . . . . . 50167 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2_14.1 . . . . . . . . . . . . . . . . . 50167 1 3 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2_14.1 . . . . . . . . . . . . . . . . . 50167 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_18.8T . . . . . . . . . . . . . . . . . 50167 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_18.8T . . . . . . . . . . . . . . . . . 50167 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_18.8T . . . . . . . . . . . . . . . . . 50167 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_18.8T . . . . . . . . . . . . . . . . . 50167 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_18.8T . . . . . . . . . . . . . . . . . 50167 1 9 '2D HMQC_Methyl' no . . . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3_23.5T . . . . . . . . . . . . . . . . . 50167 1 10 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_18.8T . . . . . . . . . . . . . . . . . 50167 1 11 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_18.8T . . . . . . . . . . . . . . . . . 50167 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50167 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference_1 _Chem_shift_reference.Details 'Backbone and side chains resonances assignment' 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 carbons' . . . . ppm 2.7 internal direct 1 . . . . . 50167 1 H 1 DSS 'methyl protons' . . . . ppm 0.08 internal direct 1 . . . . . 50167 1 N 15 na nitrogen . . . . ppm 0 external indirect 1 . . . . . 50167 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1_B1GF_BMRB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1_B1GF_BMRB _Assigned_chem_shift_list.Entry_ID 50167 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name B1GF_BMRB _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 50167 1 2 '3D CBCA(CO)NH' . . . 50167 1 3 '3D HCACO' . . . 50167 1 4 '3D HCCH-TOCSY' . . . 50167 1 7 '3D 1H-15N NOESY' . . . 50167 1 8 '3D H(CCO)NH' . . . 50167 1 10 '2D (HB)CB(CGCD)HD' . . . 50167 1 11 '2D (HB)CB(CGCDCE)HE' . . . 50167 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 4.002 0.000 . 1 . . . . . 2 GLY HA2 . 50167 1 2 . 1 . 1 1 1 GLY C C 13 173.831 0.000 . 1 . . . . . 2 GLY C . 50167 1 3 . 1 . 1 1 1 GLY CA C 13 44.801 0.000 . 1 . . . . . 2 GLY CA . 50167 1 4 . 1 . 1 2 2 LYS H H 1 8.484 0.022 . 1 . . . . . 3 LYS H . 50167 1 5 . 1 . 1 2 2 LYS HA H 1 3.808 0.000 . 1 . . . . . 3 LYS HA . 50167 1 6 . 1 . 1 2 2 LYS HB2 H 1 1.375 0.000 . 2 . . . . . 3 LYS HB2 . 50167 1 7 . 1 . 1 2 2 LYS HB3 H 1 1.462 0.000 . 2 . . . . . 3 LYS HB3 . 50167 1 8 . 1 . 1 2 2 LYS HD2 H 1 1.26 0.000 . 1 . . . . . 3 LYS HD2 . 50167 1 9 . 1 . 1 2 2 LYS HE2 H 1 2.845 0.000 . 1 . . . . . 3 LYS HE2 . 50167 1 10 . 1 . 1 2 2 LYS C C 13 175.842 0.000 . 1 . . . . . 3 LYS C . 50167 1 11 . 1 . 1 2 2 LYS CA C 13 57.339 0.000 . 1 . . . . . 3 LYS CA . 50167 1 12 . 1 . 1 2 2 LYS CB C 13 33.332 0.000 . 1 . . . . . 3 LYS CB . 50167 1 13 . 1 . 1 2 2 LYS CG C 13 25.576 0.000 . 1 . . . . . 3 LYS CG . 50167 1 14 . 1 . 1 2 2 LYS CD C 13 29.639 0.000 . 1 . . . . . 3 LYS CD . 50167 1 15 . 1 . 1 2 2 LYS N N 15 121.912 0.713 . 1 . . . . . 3 LYS N . 50167 1 16 . 1 . 1 3 3 ASP H H 1 8.318 0.026 . 1 . . . . . 4 ASP H . 50167 1 17 . 1 . 1 3 3 ASP HA H 1 4.771 0.000 . 1 . . . . . 4 ASP HA . 50167 1 18 . 1 . 1 3 3 ASP HB2 H 1 2.486 0.000 . 2 . . . . . 4 ASP HB2 . 50167 1 19 . 1 . 1 3 3 ASP HB3 H 1 2.859 0.000 . 2 . . . . . 4 ASP HB3 . 50167 1 20 . 1 . 1 3 3 ASP C C 13 176.575 0.000 . 1 . . . . . 4 ASP C . 50167 1 21 . 1 . 1 3 3 ASP CA C 13 52.662 0.000 . 1 . . . . . 4 ASP CA . 50167 1 22 . 1 . 1 3 3 ASP CB C 13 41.528 0.000 . 1 . . . . . 4 ASP CB . 50167 1 23 . 1 . 1 3 3 ASP N N 15 120.611 0.742 . 1 . . . . . 4 ASP N . 50167 1 24 . 1 . 1 4 4 TYR H H 1 5.769 0.026 . 1 . . . . . 5 TYR H . 50167 1 25 . 1 . 1 4 4 TYR HA H 1 4.018 0.000 . 1 . . . . . 5 TYR HA . 50167 1 26 . 1 . 1 4 4 TYR HB2 H 1 2.542 0.000 . 1 . . . . . 5 TYR HB2 . 50167 1 27 . 1 . 1 4 4 TYR HD1 H 1 5.647 0.000 . 1 . . . . . 5 TYR HD1 . 50167 1 28 . 1 . 1 4 4 TYR HD2 H 1 5.647 0.000 . 1 . . . . . 5 TYR HD2 . 50167 1 29 . 1 . 1 4 4 TYR HE1 H 1 6.349 0.000 . 1 . . . . . 5 TYR HE1 . 50167 1 30 . 1 . 1 4 4 TYR HE2 H 1 6.349 0.000 . 1 . . . . . 5 TYR HE2 . 50167 1 31 . 1 . 1 4 4 TYR C C 13 177.21 0.000 . 1 . . . . . 5 TYR C . 50167 1 32 . 1 . 1 4 4 TYR CA C 13 59.884 0.000 . 1 . . . . . 5 TYR CA . 50167 1 33 . 1 . 1 4 4 TYR CB C 13 38.463 0.000 . 1 . . . . . 5 TYR CB . 50167 1 34 . 1 . 1 4 4 TYR CD1 C 13 131.154 0.000 . 1 . . . . . 5 TYR CD . 50167 1 35 . 1 . 1 4 4 TYR CD2 C 13 131.154 0.000 . 1 . . . . . 5 TYR CD . 50167 1 36 . 1 . 1 4 4 TYR CE1 C 13 118.707 0.000 . 1 . . . . . 5 TYR CE . 50167 1 37 . 1 . 1 4 4 TYR CE2 C 13 118.707 0.000 . 1 . . . . . 5 TYR CE . 50167 1 38 . 1 . 1 4 4 TYR N N 15 121.547 0.885 . 1 . . . . . 5 TYR N . 50167 1 39 . 1 . 1 5 5 TYR H H 1 7.701 0.031 . 1 . . . . . 6 TYR H . 50167 1 40 . 1 . 1 5 5 TYR HA H 1 3.694 0.000 . 1 . . . . . 6 TYR HA . 50167 1 41 . 1 . 1 5 5 TYR HB2 H 1 2.839 0.000 . 2 . . . . . 6 TYR HB2 . 50167 1 42 . 1 . 1 5 5 TYR HB3 H 1 3.046 0.000 . 2 . . . . . 6 TYR HB3 . 50167 1 43 . 1 . 1 5 5 TYR HD1 H 1 7.036 0.000 . 1 . . . . . 6 TYR HD1 . 50167 1 44 . 1 . 1 5 5 TYR HD2 H 1 7.036 0.000 . 1 . . . . . 6 TYR HD2 . 50167 1 45 . 1 . 1 5 5 TYR HE1 H 1 6.88 0.000 . 1 . . . . . 6 TYR HE1 . 50167 1 46 . 1 . 1 5 5 TYR HE2 H 1 6.88 0.000 . 1 . . . . . 6 TYR HE2 . 50167 1 47 . 1 . 1 5 5 TYR C C 13 178.813 0.000 . 1 . . . . . 6 TYR C . 50167 1 48 . 1 . 1 5 5 TYR CA C 13 62.838 0.000 . 1 . . . . . 6 TYR CA . 50167 1 49 . 1 . 1 5 5 TYR CB C 13 36.169 0.000 . 1 . . . . . 6 TYR CB . 50167 1 50 . 1 . 1 5 5 TYR CD1 C 13 130.851 0.000 . 1 . . . . . 6 TYR CD . 50167 1 51 . 1 . 1 5 5 TYR CD2 C 13 130.851 0.000 . 1 . . . . . 6 TYR CD . 50167 1 52 . 1 . 1 5 5 TYR CE1 C 13 118.168 0.000 . 1 . . . . . 6 TYR CE . 50167 1 53 . 1 . 1 5 5 TYR CE2 C 13 118.168 0.000 . 1 . . . . . 6 TYR CE . 50167 1 54 . 1 . 1 5 5 TYR N N 15 114.367 0.502 . 1 . . . . . 6 TYR N . 50167 1 55 . 1 . 1 6 6 GLN H H 1 7.738 0.017 . 1 . . . . . 7 GLN H . 50167 1 56 . 1 . 1 6 6 GLN HA H 1 4.061 0.000 . 1 . . . . . 7 GLN HA . 50167 1 57 . 1 . 1 6 6 GLN HB2 H 1 2.058 0.000 . 1 . . . . . 7 GLN HB2 . 50167 1 58 . 1 . 1 6 6 GLN HG2 H 1 2.494 0.105 . 2 . . . . . 7 GLN HG2 . 50167 1 59 . 1 . 1 6 6 GLN HG3 H 1 2.258 0.000 . 2 . . . . . 7 GLN HG3 . 50167 1 60 . 1 . 1 6 6 GLN C C 13 180.346 0.000 . 1 . . . . . 7 GLN C . 50167 1 61 . 1 . 1 6 6 GLN N N 15 123.923 0.000 . 1 . . . . . 7 GLN N . 50167 1 62 . 1 . 1 7 7 THR H H 1 8.175 0.030 . 1 . . . . . 8 THR H . 50167 1 63 . 1 . 1 7 7 THR HA H 1 4.708 0.000 . 1 . . . . . 8 THR HA . 50167 1 64 . 1 . 1 7 7 THR HB H 1 3.675 0.000 . 1 . . . . . 8 THR HB . 50167 1 65 . 1 . 1 7 7 THR HG21 H 1 1.014 0.000 . 1 . . . . . 8 THR HG21 . 50167 1 66 . 1 . 1 7 7 THR HG22 H 1 1.014 0.000 . 1 . . . . . 8 THR HG22 . 50167 1 67 . 1 . 1 7 7 THR HG23 H 1 1.014 0.000 . 1 . . . . . 8 THR HG23 . 50167 1 68 . 1 . 1 7 7 THR C C 13 179.01 0.000 . 1 . . . . . 8 THR C . 50167 1 69 . 1 . 1 7 7 THR CA C 13 66.732 0.000 . 1 . . . . . 8 THR CA . 50167 1 70 . 1 . 1 7 7 THR CB C 13 68.322 0.000 . 1 . . . . . 8 THR CB . 50167 1 71 . 1 . 1 7 7 THR CG2 C 13 22.915 0.000 . 1 . . . . . 8 THR CG2 . 50167 1 72 . 1 . 1 7 7 THR N N 15 117.889 0.177 . 1 . . . . . 8 THR N . 50167 1 73 . 1 . 1 8 8 LEU H H 1 6.924 0.028 . 1 . . . . . 9 LEU H . 50167 1 74 . 1 . 1 8 8 LEU HA H 1 4.208 0.000 . 1 . . . . . 9 LEU HA . 50167 1 75 . 1 . 1 8 8 LEU HB2 H 1 1.568 0.000 . 1 . . . . . 9 LEU HB2 . 50167 1 76 . 1 . 1 8 8 LEU HG H 1 1.464 0.000 . 1 . . . . . 9 LEU HG . 50167 1 77 . 1 . 1 8 8 LEU HD11 H 1 0.838 0.000 . 2 . . . . . 9 LEU HD11 . 50167 1 78 . 1 . 1 8 8 LEU HD12 H 1 0.838 0.000 . 2 . . . . . 9 LEU HD12 . 50167 1 79 . 1 . 1 8 8 LEU HD13 H 1 0.838 0.000 . 2 . . . . . 9 LEU HD13 . 50167 1 80 . 1 . 1 8 8 LEU HD21 H 1 0.754 0.000 . 2 . . . . . 9 LEU HD21 . 50167 1 81 . 1 . 1 8 8 LEU HD22 H 1 0.754 0.000 . 2 . . . . . 9 LEU HD22 . 50167 1 82 . 1 . 1 8 8 LEU HD23 H 1 0.754 0.000 . 2 . . . . . 9 LEU HD23 . 50167 1 83 . 1 . 1 8 8 LEU C C 13 175.229 0.000 . 1 . . . . . 9 LEU C . 50167 1 84 . 1 . 1 8 8 LEU CA C 13 54.533 0.000 . 1 . . . . . 9 LEU CA . 50167 1 85 . 1 . 1 8 8 LEU CB C 13 42.108 0.000 . 1 . . . . . 9 LEU CB . 50167 1 86 . 1 . 1 8 8 LEU CD1 C 13 23.094 0.000 . 2 . . . . . 9 LEU CD1 . 50167 1 87 . 1 . 1 8 8 LEU CD2 C 13 25.94 0.000 . 2 . . . . . 9 LEU CD2 . 50167 1 88 . 1 . 1 8 8 LEU N N 15 115.792 0.602 . 1 . . . . . 9 LEU N . 50167 1 89 . 1 . 1 9 9 GLY H H 1 7.916 0.026 . 1 . . . . . 10 GLY H . 50167 1 90 . 1 . 1 9 9 GLY HA2 H 1 3.816 0.000 . 1 . . . . . 10 GLY HA2 . 50167 1 91 . 1 . 1 9 9 GLY C C 13 174.483 0.000 . 1 . . . . . 10 GLY C . 50167 1 92 . 1 . 1 9 9 GLY CA C 13 46.298 0.000 . 1 . . . . . 10 GLY CA . 50167 1 93 . 1 . 1 9 9 GLY N N 15 109.459 0.479 . 1 . . . . . 10 GLY N . 50167 1 94 . 1 . 1 10 10 LEU H H 1 8.064 0.025 . 1 . . . . . 11 LEU H . 50167 1 95 . 1 . 1 10 10 LEU HA H 1 4.528 0.000 . 1 . . . . . 11 LEU HA . 50167 1 96 . 1 . 1 10 10 LEU HB2 H 1 1.643 0.000 . 1 . . . . . 11 LEU HB2 . 50167 1 97 . 1 . 1 10 10 LEU HG H 1 1.328 0.000 . 1 . . . . . 11 LEU HG . 50167 1 98 . 1 . 1 10 10 LEU HD11 H 1 0.85 0.000 . 2 . . . . . 11 LEU HD11 . 50167 1 99 . 1 . 1 10 10 LEU HD12 H 1 0.85 0.000 . 2 . . . . . 11 LEU HD12 . 50167 1 100 . 1 . 1 10 10 LEU HD13 H 1 0.85 0.000 . 2 . . . . . 11 LEU HD13 . 50167 1 101 . 1 . 1 10 10 LEU HD21 H 1 0.805 0.000 . 2 . . . . . 11 LEU HD21 . 50167 1 102 . 1 . 1 10 10 LEU HD22 H 1 0.805 0.000 . 2 . . . . . 11 LEU HD22 . 50167 1 103 . 1 . 1 10 10 LEU HD23 H 1 0.805 0.000 . 2 . . . . . 11 LEU HD23 . 50167 1 104 . 1 . 1 10 10 LEU C C 13 175.473 0.000 . 1 . . . . . 11 LEU C . 50167 1 105 . 1 . 1 10 10 LEU CA C 13 53.057 0.000 . 1 . . . . . 11 LEU CA . 50167 1 106 . 1 . 1 10 10 LEU CB C 13 47.045 0.000 . 1 . . . . . 11 LEU CB . 50167 1 107 . 1 . 1 10 10 LEU CD1 C 13 23.242 0.000 . 2 . . . . . 11 LEU CD1 . 50167 1 108 . 1 . 1 10 10 LEU CD2 C 13 28.576 0.000 . 2 . . . . . 11 LEU CD2 . 50167 1 109 . 1 . 1 10 10 LEU N N 15 119.539 0.441 . 1 . . . . . 11 LEU N . 50167 1 110 . 1 . 1 11 11 ALA H H 1 8.093 0.020 . 1 . . . . . 12 ALA H . 50167 1 111 . 1 . 1 11 11 ALA HA H 1 4.306 0.000 . 1 . . . . . 12 ALA HA . 50167 1 112 . 1 . 1 11 11 ALA HB1 H 1 1.207 0.004 . 1 . . . . . 12 ALA HB1 . 50167 1 113 . 1 . 1 11 11 ALA HB2 H 1 1.207 0.004 . 1 . . . . . 12 ALA HB2 . 50167 1 114 . 1 . 1 11 11 ALA HB3 H 1 1.207 0.004 . 1 . . . . . 12 ALA HB3 . 50167 1 115 . 1 . 1 11 11 ALA C C 13 176.788 0.000 . 1 . . . . . 12 ALA C . 50167 1 116 . 1 . 1 11 11 ALA CA C 13 50.299 0.000 . 1 . . . . . 12 ALA CA . 50167 1 117 . 1 . 1 11 11 ALA CB C 13 20.264 0.000 . 1 . . . . . 12 ALA CB . 50167 1 118 . 1 . 1 11 11 ALA N N 15 122.506 0.405 . 1 . . . . . 12 ALA N . 50167 1 119 . 1 . 1 12 12 ARG H H 1 7.898 0.024 . 1 . . . . . 13 ARG H . 50167 1 120 . 1 . 1 12 12 ARG HA H 1 4.542 0.000 . 1 . . . . . 13 ARG HA . 50167 1 121 . 1 . 1 12 12 ARG HB2 H 1 1.315 0.000 . 1 . . . . . 13 ARG HB2 . 50167 1 122 . 1 . 1 12 12 ARG HG2 H 1 0.955 0.000 . 1 . . . . . 13 ARG HG2 . 50167 1 123 . 1 . 1 12 12 ARG HD2 H 1 2.597 0.000 . 2 . . . . . 13 ARG HD2 . 50167 1 124 . 1 . 1 12 12 ARG HD3 H 1 2.709 0.000 . 2 . . . . . 13 ARG HD3 . 50167 1 125 . 1 . 1 12 12 ARG C C 13 177.271 0.000 . 1 . . . . . 13 ARG C . 50167 1 126 . 1 . 1 12 12 ARG CA C 13 57.639 0.000 . 1 . . . . . 13 ARG CA . 50167 1 127 . 1 . 1 12 12 ARG CB C 13 29.15 0.000 . 1 . . . . . 13 ARG CB . 50167 1 128 . 1 . 1 12 12 ARG N N 15 117.867 0.515 . 1 . . . . . 13 ARG N . 50167 1 129 . 1 . 1 13 13 GLY H H 1 7.774 0.023 . 1 . . . . . 14 GLY H . 50167 1 130 . 1 . 1 13 13 GLY HA2 H 1 3.749 0.000 . 1 . . . . . 14 GLY HA2 . 50167 1 131 . 1 . 1 13 13 GLY C C 13 174.436 0.000 . 1 . . . . . 14 GLY C . 50167 1 132 . 1 . 1 13 13 GLY CA C 13 44.462 0.000 . 1 . . . . . 14 GLY CA . 50167 1 133 . 1 . 1 13 13 GLY N N 15 107.945 0.599 . 1 . . . . . 14 GLY N . 50167 1 134 . 1 . 1 14 14 ALA H H 1 7.063 0.023 . 1 . . . . . 15 ALA H . 50167 1 135 . 1 . 1 14 14 ALA HA H 1 4.34 0.093 . 1 . . . . . 15 ALA HA . 50167 1 136 . 1 . 1 14 14 ALA HB1 H 1 1.579 0.000 . 1 . . . . . 15 ALA HB1 . 50167 1 137 . 1 . 1 14 14 ALA HB2 H 1 1.579 0.000 . 1 . . . . . 15 ALA HB2 . 50167 1 138 . 1 . 1 14 14 ALA HB3 H 1 1.579 0.000 . 1 . . . . . 15 ALA HB3 . 50167 1 139 . 1 . 1 14 14 ALA C C 13 177.065 0.000 . 1 . . . . . 15 ALA C . 50167 1 140 . 1 . 1 14 14 ALA CA C 13 52.694 0.000 . 1 . . . . . 15 ALA CA . 50167 1 141 . 1 . 1 14 14 ALA CB C 13 20.666 0.000 . 1 . . . . . 15 ALA CB . 50167 1 142 . 1 . 1 14 14 ALA N N 15 122.217 0.707 . 1 . . . . . 15 ALA N . 50167 1 143 . 1 . 1 15 15 SER H H 1 8.927 0.019 . 1 . . . . . 16 SER H . 50167 1 144 . 1 . 1 15 15 SER HA H 1 4.691 0.084 . 1 . . . . . 16 SER HA . 50167 1 145 . 1 . 1 15 15 SER HB2 H 1 4.135 0.111 . 1 . . . . . 16 SER HB2 . 50167 1 146 . 1 . 1 15 15 SER C C 13 174.694 0.000 . 1 . . . . . 16 SER C . 50167 1 147 . 1 . 1 15 15 SER CA C 13 57.093 0.000 . 1 . . . . . 16 SER CA . 50167 1 148 . 1 . 1 15 15 SER CB C 13 65.63 0.213 . 1 . . . . . 16 SER CB . 50167 1 149 . 1 . 1 15 15 SER N N 15 119.55 1.325 . 1 . . . . . 16 SER N . 50167 1 150 . 1 . 1 16 16 ASP H H 1 8.751 0.018 . 1 . . . . . 17 ASP H . 50167 1 151 . 1 . 1 16 16 ASP HA H 1 4.24 0.000 . 1 . . . . . 17 ASP HA . 50167 1 152 . 1 . 1 16 16 ASP HB2 H 1 2.588 0.000 . 1 . . . . . 17 ASP HB2 . 50167 1 153 . 1 . 1 16 16 ASP C C 13 178.952 0.000 . 1 . . . . . 17 ASP C . 50167 1 154 . 1 . 1 16 16 ASP CA C 13 58.309 0.000 . 1 . . . . . 17 ASP CA . 50167 1 155 . 1 . 1 16 16 ASP CB C 13 40.953 0.000 . 1 . . . . . 17 ASP CB . 50167 1 156 . 1 . 1 16 16 ASP N N 15 120.408 0.837 . 1 . . . . . 17 ASP N . 50167 1 157 . 1 . 1 17 17 GLU H H 1 8.559 0.019 . 1 . . . . . 18 GLU H . 50167 1 158 . 1 . 1 17 17 GLU HA H 1 4.008 0.000 . 1 . . . . . 18 GLU HA . 50167 1 159 . 1 . 1 17 17 GLU HB2 H 1 1.983 0.101 . 2 . . . . . 18 GLU HB2 . 50167 1 160 . 1 . 1 17 17 GLU HB3 H 1 2.009 0.000 . 2 . . . . . 18 GLU HB3 . 50167 1 161 . 1 . 1 17 17 GLU HG2 H 1 2.251 0.000 . 1 . . . . . 18 GLU HG2 . 50167 1 162 . 1 . 1 17 17 GLU C C 13 178.938 0.000 . 1 . . . . . 18 GLU C . 50167 1 163 . 1 . 1 17 17 GLU CA C 13 59.502 0.000 . 1 . . . . . 18 GLU CA . 50167 1 164 . 1 . 1 17 17 GLU CB C 13 29.315 0.000 . 1 . . . . . 18 GLU CB . 50167 1 165 . 1 . 1 17 17 GLU CG C 13 36.058 0.000 . 1 . . . . . 18 GLU CG . 50167 1 166 . 1 . 1 17 17 GLU N N 15 119.498 0.524 . 1 . . . . . 18 GLU N . 50167 1 167 . 1 . 1 18 18 GLU H H 1 7.84 0.019 . 1 . . . . . 19 GLU H . 50167 1 168 . 1 . 1 18 18 GLU HB2 H 1 1.932 0.000 . 1 . . . . . 19 GLU HB2 . 50167 1 169 . 1 . 1 18 18 GLU HG2 H 1 2.21 0.000 . 2 . . . . . 19 GLU HG2 . 50167 1 170 . 1 . 1 18 18 GLU HG3 H 1 2.355 0.000 . 2 . . . . . 19 GLU HG3 . 50167 1 171 . 1 . 1 18 18 GLU C C 13 179.814 0.000 . 1 . . . . . 19 GLU C . 50167 1 172 . 1 . 1 18 18 GLU CA C 13 59.435 0.000 . 1 . . . . . 19 GLU CA . 50167 1 173 . 1 . 1 18 18 GLU CB C 13 29.596 0.000 . 1 . . . . . 19 GLU CB . 50167 1 174 . 1 . 1 18 18 GLU CG C 13 37.279 0.000 . 1 . . . . . 19 GLU CG . 50167 1 175 . 1 . 1 18 18 GLU N N 15 120.634 0.580 . 1 . . . . . 19 GLU N . 50167 1 176 . 1 . 1 19 19 ILE H H 1 8.362 0.015 . 1 . . . . . 20 ILE H . 50167 1 177 . 1 . 1 19 19 ILE HA H 1 3.596 0.000 . 1 . . . . . 20 ILE HA . 50167 1 178 . 1 . 1 19 19 ILE HB H 1 1.939 0.000 . 1 . . . . . 20 ILE HB . 50167 1 179 . 1 . 1 19 19 ILE HG12 H 1 1.659 0.000 . 1 . . . . . 20 ILE HG12 . 50167 1 180 . 1 . 1 19 19 ILE HG21 H 1 0.674 0.000 . 1 . . . . . 20 ILE HG21 . 50167 1 181 . 1 . 1 19 19 ILE HG22 H 1 0.674 0.000 . 1 . . . . . 20 ILE HG22 . 50167 1 182 . 1 . 1 19 19 ILE HG23 H 1 0.674 0.000 . 1 . . . . . 20 ILE HG23 . 50167 1 183 . 1 . 1 19 19 ILE HD11 H 1 0.669 0.000 . 1 . . . . . 20 ILE HD11 . 50167 1 184 . 1 . 1 19 19 ILE HD12 H 1 0.669 0.000 . 1 . . . . . 20 ILE HD12 . 50167 1 185 . 1 . 1 19 19 ILE HD13 H 1 0.669 0.000 . 1 . . . . . 20 ILE HD13 . 50167 1 186 . 1 . 1 19 19 ILE C C 13 177.149 0.000 . 1 . . . . . 20 ILE C . 50167 1 187 . 1 . 1 19 19 ILE CA C 13 66.255 0.000 . 1 . . . . . 20 ILE CA . 50167 1 188 . 1 . 1 19 19 ILE CB C 13 38.111 0.000 . 1 . . . . . 20 ILE CB . 50167 1 189 . 1 . 1 19 19 ILE CG2 C 13 17.342 0.000 . 1 . . . . . 20 ILE CG2 . 50167 1 190 . 1 . 1 19 19 ILE CD1 C 13 14.13 0.000 . 1 . . . . . 20 ILE CD1 . 50167 1 191 . 1 . 1 19 19 ILE N N 15 122.131 0.516 . 1 . . . . . 20 ILE N . 50167 1 192 . 1 . 1 20 20 LYS H H 1 7.789 0.026 . 1 . . . . . 21 LYS H . 50167 1 193 . 1 . 1 20 20 LYS HA H 1 4.012 0.000 . 1 . . . . . 21 LYS HA . 50167 1 194 . 1 . 1 20 20 LYS HB2 H 1 2.006 0.000 . 1 . . . . . 21 LYS HB2 . 50167 1 195 . 1 . 1 20 20 LYS HD2 H 1 1.681 0.000 . 1 . . . . . 21 LYS HD2 . 50167 1 196 . 1 . 1 20 20 LYS HE2 H 1 2.891 0.000 . 1 . . . . . 21 LYS HE2 . 50167 1 197 . 1 . 1 20 20 LYS C C 13 178.529 0.000 . 1 . . . . . 21 LYS C . 50167 1 198 . 1 . 1 20 20 LYS CA C 13 61.019 0.000 . 1 . . . . . 21 LYS CA . 50167 1 199 . 1 . 1 20 20 LYS CB C 13 32.747 0.000 . 1 . . . . . 21 LYS CB . 50167 1 200 . 1 . 1 20 20 LYS N N 15 119.473 0.538 . 1 . . . . . 21 LYS N . 50167 1 201 . 1 . 1 21 21 ARG H H 1 8.089 0.019 . 1 . . . . . 22 ARG H . 50167 1 202 . 1 . 1 21 21 ARG HA H 1 3.9 0.000 . 1 . . . . . 22 ARG HA . 50167 1 203 . 1 . 1 21 21 ARG HB2 H 1 1.829 0.000 . 1 . . . . . 22 ARG HB2 . 50167 1 204 . 1 . 1 21 21 ARG HG2 H 1 1.558 0.000 . 1 . . . . . 22 ARG HG2 . 50167 1 205 . 1 . 1 21 21 ARG HD2 H 1 3.098 0.000 . 2 . . . . . 22 ARG HD2 . 50167 1 206 . 1 . 1 21 21 ARG HD3 H 1 3.173 0.000 . 2 . . . . . 22 ARG HD3 . 50167 1 207 . 1 . 1 21 21 ARG C C 13 178.925 0.000 . 1 . . . . . 22 ARG C . 50167 1 208 . 1 . 1 21 21 ARG CA C 13 59.744 0.000 . 1 . . . . . 22 ARG CA . 50167 1 209 . 1 . 1 21 21 ARG CB C 13 30.576 0.000 . 1 . . . . . 22 ARG CB . 50167 1 210 . 1 . 1 21 21 ARG CG C 13 28.167 0.000 . 1 . . . . . 22 ARG CG . 50167 1 211 . 1 . 1 21 21 ARG CD C 13 43.794 0.000 . 1 . . . . . 22 ARG CD . 50167 1 212 . 1 . 1 21 21 ARG N N 15 117.803 0.584 . 1 . . . . . 22 ARG N . 50167 1 213 . 1 . 1 22 22 ALA H H 1 8.3 0.013 . 1 . . . . . 23 ALA H . 50167 1 214 . 1 . 1 22 22 ALA HA H 1 4.152 0.000 . 1 . . . . . 23 ALA HA . 50167 1 215 . 1 . 1 22 22 ALA HB1 H 1 1.692 0.000 . 1 . . . . . 23 ALA HB1 . 50167 1 216 . 1 . 1 22 22 ALA HB2 H 1 1.692 0.000 . 1 . . . . . 23 ALA HB2 . 50167 1 217 . 1 . 1 22 22 ALA HB3 H 1 1.692 0.000 . 1 . . . . . 23 ALA HB3 . 50167 1 218 . 1 . 1 22 22 ALA C C 13 179.309 0.000 . 1 . . . . . 23 ALA C . 50167 1 219 . 1 . 1 22 22 ALA CA C 13 55.236 0.000 . 1 . . . . . 23 ALA CA . 50167 1 220 . 1 . 1 22 22 ALA CB C 13 19.504 0.000 . 1 . . . . . 23 ALA CB . 50167 1 221 . 1 . 1 22 22 ALA N N 15 123.594 1.178 . 1 . . . . . 23 ALA N . 50167 1 222 . 1 . 1 23 23 TYR H H 1 8.34 0.022 . 1 . . . . . 24 TYR H . 50167 1 223 . 1 . 1 23 23 TYR HA H 1 3.793 0.000 . 1 . . . . . 24 TYR HA . 50167 1 224 . 1 . 1 23 23 TYR HB2 H 1 2.396 0.000 . 2 . . . . . 24 TYR HB2 . 50167 1 225 . 1 . 1 23 23 TYR HB3 H 1 2.554 0.000 . 2 . . . . . 24 TYR HB3 . 50167 1 226 . 1 . 1 23 23 TYR HD1 H 1 5.784 0.000 . 1 . . . . . 24 TYR HD1 . 50167 1 227 . 1 . 1 23 23 TYR HD2 H 1 5.784 0.000 . 1 . . . . . 24 TYR HD2 . 50167 1 228 . 1 . 1 23 23 TYR HE1 H 1 5.826 0.000 . 1 . . . . . 24 TYR HE1 . 50167 1 229 . 1 . 1 23 23 TYR HE2 H 1 5.826 0.000 . 1 . . . . . 24 TYR HE2 . 50167 1 230 . 1 . 1 23 23 TYR C C 13 175.636 0.000 . 1 . . . . . 24 TYR C . 50167 1 231 . 1 . 1 23 23 TYR CA C 13 61.168 0.000 . 1 . . . . . 24 TYR CA . 50167 1 232 . 1 . 1 23 23 TYR CB C 13 38.408 0.000 . 1 . . . . . 24 TYR CB . 50167 1 233 . 1 . 1 23 23 TYR CD1 C 13 132.19 0.000 . 1 . . . . . 24 TYR CD . 50167 1 234 . 1 . 1 23 23 TYR CD2 C 13 132.19 0.000 . 1 . . . . . 24 TYR CD . 50167 1 235 . 1 . 1 23 23 TYR CE1 C 13 116.292 0.000 . 1 . . . . . 24 TYR CE . 50167 1 236 . 1 . 1 23 23 TYR CE2 C 13 116.292 0.000 . 1 . . . . . 24 TYR CE . 50167 1 237 . 1 . 1 23 23 TYR N N 15 118.899 0.791 . 1 . . . . . 24 TYR N . 50167 1 238 . 1 . 1 24 24 ARG H H 1 7.712 0.022 . 1 . . . . . 25 ARG H . 50167 1 239 . 1 . 1 24 24 ARG HA H 1 3.908 0.000 . 1 . . . . . 25 ARG HA . 50167 1 240 . 1 . 1 24 24 ARG HB2 H 1 1.67 0.000 . 2 . . . . . 25 ARG HB2 . 50167 1 241 . 1 . 1 24 24 ARG HB3 H 1 1.767 0.000 . 2 . . . . . 25 ARG HB3 . 50167 1 242 . 1 . 1 24 24 ARG HG2 H 1 1.32 0.000 . 1 . . . . . 25 ARG HG2 . 50167 1 243 . 1 . 1 24 24 ARG HD2 H 1 2.996 0.000 . 2 . . . . . 25 ARG HD2 . 50167 1 244 . 1 . 1 24 24 ARG HD3 H 1 3.171 0.000 . 2 . . . . . 25 ARG HD3 . 50167 1 245 . 1 . 1 24 24 ARG C C 13 177.416 0.000 . 1 . . . . . 25 ARG C . 50167 1 246 . 1 . 1 24 24 ARG CA C 13 59.939 0.000 . 1 . . . . . 25 ARG CA . 50167 1 247 . 1 . 1 24 24 ARG CB C 13 29.997 0.000 . 1 . . . . . 25 ARG CB . 50167 1 248 . 1 . 1 24 24 ARG N N 15 117.152 0.527 . 1 . . . . . 25 ARG N . 50167 1 249 . 1 . 1 25 25 ARG H H 1 7.653 0.020 . 1 . . . . . 26 ARG H . 50167 1 250 . 1 . 1 25 25 ARG HA H 1 3.933 0.000 . 1 . . . . . 26 ARG HA . 50167 1 251 . 1 . 1 25 25 ARG HB2 H 1 2.088 0.000 . 2 . . . . . 26 ARG HB2 . 50167 1 252 . 1 . 1 25 25 ARG HB3 H 1 1.878 0.000 . 2 . . . . . 26 ARG HB3 . 50167 1 253 . 1 . 1 25 25 ARG HG2 H 1 1.673 0.000 . 2 . . . . . 26 ARG HG2 . 50167 1 254 . 1 . 1 25 25 ARG HG3 H 1 1.561 0.000 . 2 . . . . . 26 ARG HG3 . 50167 1 255 . 1 . 1 25 25 ARG HD2 H 1 3.36 0.000 . 2 . . . . . 26 ARG HD2 . 50167 1 256 . 1 . 1 25 25 ARG HD3 H 1 3.162 0.000 . 2 . . . . . 26 ARG HD3 . 50167 1 257 . 1 . 1 25 25 ARG C C 13 175.994 0.000 . 1 . . . . . 26 ARG C . 50167 1 258 . 1 . 1 25 25 ARG CA C 13 56.189 0.000 . 1 . . . . . 26 ARG CA . 50167 1 259 . 1 . 1 25 25 ARG CB C 13 30.888 0.000 . 1 . . . . . 26 ARG CB . 50167 1 260 . 1 . 1 25 25 ARG CG C 13 27.505 0.000 . 1 . . . . . 26 ARG CG . 50167 1 261 . 1 . 1 25 25 ARG CD C 13 43.984 0.000 . 1 . . . . . 26 ARG CD . 50167 1 262 . 1 . 1 25 25 ARG N N 15 114.735 0.420 . 1 . . . . . 26 ARG N . 50167 1 263 . 1 . 1 26 26 GLN H H 1 8.409 0.000 . 1 . . . . . 27 GLN H . 50167 1 264 . 1 . 1 26 26 GLN HA H 1 4.328 0.000 . 1 . . . . . 27 GLN HA . 50167 1 265 . 1 . 1 26 26 GLN HB2 H 1 1.99 0.000 . 2 . . . . . 27 GLN HB2 . 50167 1 266 . 1 . 1 26 26 GLN HB3 H 1 2.126 0.000 . 2 . . . . . 27 GLN HB3 . 50167 1 267 . 1 . 1 26 26 GLN HG2 H 1 2.583 0.000 . 2 . . . . . 27 GLN HG2 . 50167 1 268 . 1 . 1 26 26 GLN HG3 H 1 2.285 0.000 . 2 . . . . . 27 GLN HG3 . 50167 1 269 . 1 . 1 26 26 GLN C C 13 177.809 0.000 . 1 . . . . . 27 GLN C . 50167 1 270 . 1 . 1 26 26 GLN CA C 13 57.808 0.000 . 1 . . . . . 27 GLN CA . 50167 1 271 . 1 . 1 26 26 GLN CB C 13 29.085 0.000 . 1 . . . . . 27 GLN CB . 50167 1 272 . 1 . 1 26 26 GLN CG C 13 34.037 0.000 . 1 . . . . . 27 GLN CG . 50167 1 273 . 1 . 1 26 26 GLN N N 15 118.22 0.563 . 1 . . . . . 27 GLN N . 50167 1 274 . 1 . 1 27 27 ALA H H 1 9.237 0.018 . 1 . . . . . 28 ALA H . 50167 1 275 . 1 . 1 27 27 ALA HA H 1 3.866 0.000 . 1 . . . . . 28 ALA HA . 50167 1 276 . 1 . 1 27 27 ALA HB1 H 1 1.01 0.000 . 1 . . . . . 28 ALA HB1 . 50167 1 277 . 1 . 1 27 27 ALA HB2 H 1 1.01 0.000 . 1 . . . . . 28 ALA HB2 . 50167 1 278 . 1 . 1 27 27 ALA HB3 H 1 1.01 0.000 . 1 . . . . . 28 ALA HB3 . 50167 1 279 . 1 . 1 27 27 ALA C C 13 179.573 0.000 . 1 . . . . . 28 ALA C . 50167 1 280 . 1 . 1 27 27 ALA CA C 13 55.875 0.000 . 1 . . . . . 28 ALA CA . 50167 1 281 . 1 . 1 27 27 ALA CB C 13 17.689 0.021 . 1 . . . . . 28 ALA CB . 50167 1 282 . 1 . 1 27 27 ALA N N 15 122.772 1.184 . 1 . . . . . 28 ALA N . 50167 1 283 . 1 . 1 28 28 LEU H H 1 7.412 0.023 . 1 . . . . . 29 LEU H . 50167 1 284 . 1 . 1 28 28 LEU HA H 1 4.069 0.099 . 1 . . . . . 29 LEU HA . 50167 1 285 . 1 . 1 28 28 LEU HB2 H 1 1.761 0.000 . 2 . . . . . 29 LEU HB2 . 50167 1 286 . 1 . 1 28 28 LEU HB3 H 1 1.673 0.000 . 2 . . . . . 29 LEU HB3 . 50167 1 287 . 1 . 1 28 28 LEU HG H 1 1.425 0.000 . 1 . . . . . 29 LEU HG . 50167 1 288 . 1 . 1 28 28 LEU HD11 H 1 0.854 0.083 . 2 . . . . . 29 LEU HD11 . 50167 1 289 . 1 . 1 28 28 LEU HD12 H 1 0.854 0.083 . 2 . . . . . 29 LEU HD12 . 50167 1 290 . 1 . 1 28 28 LEU HD13 H 1 0.854 0.083 . 2 . . . . . 29 LEU HD13 . 50167 1 291 . 1 . 1 28 28 LEU HD21 H 1 0.777 0.000 . 2 . . . . . 29 LEU HD21 . 50167 1 292 . 1 . 1 28 28 LEU HD22 H 1 0.777 0.000 . 2 . . . . . 29 LEU HD22 . 50167 1 293 . 1 . 1 28 28 LEU HD23 H 1 0.777 0.000 . 2 . . . . . 29 LEU HD23 . 50167 1 294 . 1 . 1 28 28 LEU C C 13 179.285 0.000 . 1 . . . . . 29 LEU C . 50167 1 295 . 1 . 1 28 28 LEU CA C 13 57.998 0.000 . 1 . . . . . 29 LEU CA . 50167 1 296 . 1 . 1 28 28 LEU CB C 13 42.31 0.000 . 1 . . . . . 29 LEU CB . 50167 1 297 . 1 . 1 28 28 LEU CG C 13 27.18 0.000 . 1 . . . . . 29 LEU CG . 50167 1 298 . 1 . 1 28 28 LEU CD1 C 13 24.926 0.000 . 2 . . . . . 29 LEU CD1 . 50167 1 299 . 1 . 1 28 28 LEU CD2 C 13 23.805 0.000 . 2 . . . . . 29 LEU CD2 . 50167 1 300 . 1 . 1 28 28 LEU N N 15 113.613 0.510 . 1 . . . . . 29 LEU N . 50167 1 301 . 1 . 1 29 29 ARG H H 1 7.167 0.031 . 1 . . . . . 30 ARG H . 50167 1 302 . 1 . 1 29 29 ARG HA H 1 3.749 0.000 . 1 . . . . . 30 ARG HA . 50167 1 303 . 1 . 1 29 29 ARG HB2 H 1 1.651 0.000 . 1 . . . . . 30 ARG HB2 . 50167 1 304 . 1 . 1 29 29 ARG HG2 H 1 1.188 0.000 . 1 . . . . . 30 ARG HG2 . 50167 1 305 . 1 . 1 29 29 ARG HD2 H 1 2.871 0.000 . 1 . . . . . 30 ARG HD2 . 50167 1 306 . 1 . 1 29 29 ARG C C 13 177.649 0.000 . 1 . . . . . 30 ARG C . 50167 1 307 . 1 . 1 29 29 ARG CA C 13 58.539 0.000 . 1 . . . . . 30 ARG CA . 50167 1 308 . 1 . 1 29 29 ARG CB C 13 30.252 0.000 . 1 . . . . . 30 ARG CB . 50167 1 309 . 1 . 1 29 29 ARG CG C 13 26.542 0.000 . 1 . . . . . 30 ARG CG . 50167 1 310 . 1 . 1 29 29 ARG CD C 13 43.725 0.000 . 1 . . . . . 30 ARG CD . 50167 1 311 . 1 . 1 29 29 ARG N N 15 116.646 0.000 . 1 . . . . . 30 ARG N . 50167 1 312 . 1 . 1 30 30 TYR H H 1 7.537 0.036 . 1 . . . . . 31 TYR H . 50167 1 313 . 1 . 1 30 30 TYR HB2 H 1 2.406 0.084 . 1 . . . . . 31 TYR HB2 . 50167 1 314 . 1 . 1 30 30 TYR HD1 H 1 7.128 0.000 . 1 . . . . . 31 TYR HD1 . 50167 1 315 . 1 . 1 30 30 TYR HD2 H 1 7.128 0.000 . 1 . . . . . 31 TYR HD2 . 50167 1 316 . 1 . 1 30 30 TYR HE1 H 1 6.708 0.000 . 1 . . . . . 31 TYR HE1 . 50167 1 317 . 1 . 1 30 30 TYR HE2 H 1 6.708 0.000 . 1 . . . . . 31 TYR HE2 . 50167 1 318 . 1 . 1 30 30 TYR C C 13 172.014 0.000 . 1 . . . . . 31 TYR C . 50167 1 319 . 1 . 1 30 30 TYR CA C 13 57.806 0.000 . 1 . . . . . 31 TYR CA . 50167 1 320 . 1 . 1 30 30 TYR CB C 13 38.343 0.000 . 1 . . . . . 31 TYR CB . 50167 1 321 . 1 . 1 30 30 TYR CD1 C 13 133.571 0.000 . 1 . . . . . 31 TYR CD . 50167 1 322 . 1 . 1 30 30 TYR CD2 C 13 133.571 0.000 . 1 . . . . . 31 TYR CD . 50167 1 323 . 1 . 1 30 30 TYR CE1 C 13 117.493 0.000 . 1 . . . . . 31 TYR CE . 50167 1 324 . 1 . 1 30 30 TYR CE2 C 13 117.493 0.000 . 1 . . . . . 31 TYR CE . 50167 1 325 . 1 . 1 30 30 TYR N N 15 113.699 0.674 . 1 . . . . . 31 TYR N . 50167 1 326 . 1 . 1 31 31 HIS H H 1 7.033 0.016 . 1 . . . . . 32 HIS H . 50167 1 327 . 1 . 1 31 31 HIS HD1 H 1 5.006 0.000 . 1 . . . . . 32 HIS HD1 . 50167 1 328 . 1 . 1 31 31 HIS C C 13 175.967 0.000 . 1 . . . . . 32 HIS C . 50167 1 329 . 1 . 1 31 31 HIS CA C 13 55.932 0.000 . 1 . . . . . 32 HIS CA . 50167 1 330 . 1 . 1 31 31 HIS CB C 13 30.509 0.000 . 1 . . . . . 32 HIS CB . 50167 1 331 . 1 . 1 31 31 HIS CD2 C 13 116.662 0.000 . 1 . . . . . 32 HIS CD2 . 50167 1 332 . 1 . 1 31 31 HIS N N 15 122.667 0.537 . 1 . . . . . 32 HIS N . 50167 1 333 . 1 . 1 32 32 PRO CA C 13 64.464 0.000 . 1 . . . . . 33 PRO CA . 50167 1 334 . 1 . 1 32 32 PRO CB C 13 31.715 0.000 . 1 . . . . . 33 PRO CB . 50167 1 335 . 1 . 1 33 33 ASP H H 1 10.316 0.018 . 1 . . . . . 34 ASP H . 50167 1 336 . 1 . 1 33 33 ASP HA H 1 4.372 0.000 . 1 . . . . . 34 ASP HA . 50167 1 337 . 1 . 1 33 33 ASP HB2 H 1 2.682 0.000 . 2 . . . . . 34 ASP HB2 . 50167 1 338 . 1 . 1 33 33 ASP HB3 H 1 2.508 0.000 . 2 . . . . . 34 ASP HB3 . 50167 1 339 . 1 . 1 33 33 ASP C C 13 177.21 0.000 . 1 . . . . . 34 ASP C . 50167 1 340 . 1 . 1 33 33 ASP CA C 13 56.378 0.000 . 1 . . . . . 34 ASP CA . 50167 1 341 . 1 . 1 33 33 ASP CB C 13 40.331 0.149 . 1 . . . . . 34 ASP CB . 50167 1 342 . 1 . 1 33 33 ASP N N 15 120.306 0.000 . 1 . . . . . 34 ASP N . 50167 1 343 . 1 . 1 34 34 LYS H H 1 7.83 0.022 . 1 . . . . . 35 LYS H . 50167 1 344 . 1 . 1 34 34 LYS HA H 1 4.287 0.000 . 1 . . . . . 35 LYS HA . 50167 1 345 . 1 . 1 34 34 LYS HB2 H 1 1.674 0.000 . 2 . . . . . 35 LYS HB2 . 50167 1 346 . 1 . 1 34 34 LYS HB3 H 1 1.78 0.000 . 2 . . . . . 35 LYS HB3 . 50167 1 347 . 1 . 1 34 34 LYS HG2 H 1 1.153 0.000 . 2 . . . . . 35 LYS HG2 . 50167 1 348 . 1 . 1 34 34 LYS HG3 H 1 1.217 0.000 . 2 . . . . . 35 LYS HG3 . 50167 1 349 . 1 . 1 34 34 LYS HD2 H 1 1.476 0.000 . 1 . . . . . 35 LYS HD2 . 50167 1 350 . 1 . 1 34 34 LYS HE2 H 1 2.646 0.000 . 2 . . . . . 35 LYS HE2 . 50167 1 351 . 1 . 1 34 34 LYS HE3 H 1 2.773 0.000 . 2 . . . . . 35 LYS HE3 . 50167 1 352 . 1 . 1 34 34 LYS C C 13 175.711 0.000 . 1 . . . . . 35 LYS C . 50167 1 353 . 1 . 1 34 34 LYS CA C 13 55.569 0.000 . 1 . . . . . 35 LYS CA . 50167 1 354 . 1 . 1 34 34 LYS CB C 13 34.32 0.000 . 1 . . . . . 35 LYS CB . 50167 1 355 . 1 . 1 34 34 LYS CG C 13 24.706 0.000 . 1 . . . . . 35 LYS CG . 50167 1 356 . 1 . 1 34 34 LYS CD C 13 28.273 0.000 . 1 . . . . . 35 LYS CD . 50167 1 357 . 1 . 1 34 34 LYS CE C 13 42.059 0.000 . 1 . . . . . 35 LYS CE . 50167 1 358 . 1 . 1 34 34 LYS N N 15 116.859 0.491 . 1 . . . . . 35 LYS N . 50167 1 359 . 1 . 1 35 35 ASN H H 1 8.16 0.025 . 1 . . . . . 36 ASN H . 50167 1 360 . 1 . 1 35 35 ASN HA H 1 4.584 0.000 . 1 . . . . . 36 ASN HA . 50167 1 361 . 1 . 1 35 35 ASN HB2 H 1 2.517 0.122 . 2 . . . . . 36 ASN HB2 . 50167 1 362 . 1 . 1 35 35 ASN HB3 H 1 2.604 0.000 . 2 . . . . . 36 ASN HB3 . 50167 1 363 . 1 . 1 35 35 ASN C C 13 173.81 0.000 . 1 . . . . . 36 ASN C . 50167 1 364 . 1 . 1 35 35 ASN CA C 13 52.608 0.000 . 1 . . . . . 36 ASN CA . 50167 1 365 . 1 . 1 35 35 ASN CB C 13 38.883 0.000 . 1 . . . . . 36 ASN CB . 50167 1 366 . 1 . 1 35 35 ASN N N 15 119.974 0.467 . 1 . . . . . 36 ASN N . 50167 1 367 . 1 . 1 36 36 LYS H H 1 8.542 0.027 . 1 . . . . . 37 LYS H . 50167 1 368 . 1 . 1 36 36 LYS HA H 1 4.371 0.000 . 1 . . . . . 37 LYS HA . 50167 1 369 . 1 . 1 36 36 LYS HB2 H 1 2.005 0.000 . 1 . . . . . 37 LYS HB2 . 50167 1 370 . 1 . 1 36 36 LYS HG2 H 1 1.393 0.109 . 1 . . . . . 37 LYS HG2 . 50167 1 371 . 1 . 1 36 36 LYS HD2 H 1 1.514 0.000 . 1 . . . . . 37 LYS HD2 . 50167 1 372 . 1 . 1 36 36 LYS HE2 H 1 2.887 0.104 . 2 . . . . . 37 LYS HE2 . 50167 1 373 . 1 . 1 36 36 LYS HE3 H 1 2.844 0.000 . 2 . . . . . 37 LYS HE3 . 50167 1 374 . 1 . 1 36 36 LYS C C 13 177.334 0.000 . 1 . . . . . 37 LYS C . 50167 1 375 . 1 . 1 36 36 LYS CA C 13 53.898 0.000 . 1 . . . . . 37 LYS CA . 50167 1 376 . 1 . 1 36 36 LYS CB C 13 31.4 0.000 . 1 . . . . . 37 LYS CB . 50167 1 377 . 1 . 1 36 36 LYS CG C 13 24.595 0.000 . 1 . . . . . 37 LYS CG . 50167 1 378 . 1 . 1 36 36 LYS CD C 13 28.345 0.000 . 1 . . . . . 37 LYS CD . 50167 1 379 . 1 . 1 36 36 LYS CE C 13 42.595 0.000 . 1 . . . . . 37 LYS CE . 50167 1 380 . 1 . 1 36 36 LYS N N 15 122.204 0.502 . 1 . . . . . 37 LYS N . 50167 1 381 . 1 . 1 37 37 GLU H H 1 8.449 0.018 . 1 . . . . . 38 GLU H . 50167 1 382 . 1 . 1 37 37 GLU C C 13 175.203 0.000 . 1 . . . . . 38 GLU C . 50167 1 383 . 1 . 1 37 37 GLU CA C 13 55.372 0.000 . 1 . . . . . 38 GLU CA . 50167 1 384 . 1 . 1 37 37 GLU CB C 13 28.452 0.000 . 1 . . . . . 38 GLU CB . 50167 1 385 . 1 . 1 37 37 GLU N N 15 123.015 0.459 . 1 . . . . . 38 GLU N . 50167 1 386 . 1 . 1 39 39 GLY H H 1 8.968 0.000 . 1 . . . . . 40 GLY H . 50167 1 387 . 1 . 1 39 39 GLY HA2 H 1 3.928 0.000 . 2 . . . . . 40 GLY HA2 . 50167 1 388 . 1 . 1 39 39 GLY HA3 H 1 4.083 0.000 . 2 . . . . . 40 GLY HA3 . 50167 1 389 . 1 . 1 39 39 GLY C C 13 175.98 0.000 . 1 . . . . . 40 GLY C . 50167 1 390 . 1 . 1 39 39 GLY CA C 13 45.582 0.000 . 1 . . . . . 40 GLY CA . 50167 1 391 . 1 . 1 39 39 GLY N N 15 112.013 0.000 . 1 . . . . . 40 GLY N . 50167 1 392 . 1 . 1 40 40 ALA H H 1 7.861 0.025 . 1 . . . . . 41 ALA H . 50167 1 393 . 1 . 1 40 40 ALA HA H 1 3.98 0.000 . 1 . . . . . 41 ALA HA . 50167 1 394 . 1 . 1 40 40 ALA HB1 H 1 1.453 0.000 . 1 . . . . . 41 ALA HB1 . 50167 1 395 . 1 . 1 40 40 ALA HB2 H 1 1.453 0.000 . 1 . . . . . 41 ALA HB2 . 50167 1 396 . 1 . 1 40 40 ALA HB3 H 1 1.453 0.000 . 1 . . . . . 41 ALA HB3 . 50167 1 397 . 1 . 1 40 40 ALA C C 13 178.897 0.000 . 1 . . . . . 41 ALA C . 50167 1 398 . 1 . 1 40 40 ALA CA C 13 56.423 0.000 . 1 . . . . . 41 ALA CA . 50167 1 399 . 1 . 1 40 40 ALA CB C 13 18.065 0.000 . 1 . . . . . 41 ALA CB . 50167 1 400 . 1 . 1 40 40 ALA N N 15 124.822 0.433 . 1 . . . . . 41 ALA N . 50167 1 401 . 1 . 1 41 41 GLU H H 1 8.643 0.022 . 1 . . . . . 42 GLU H . 50167 1 402 . 1 . 1 41 41 GLU HA H 1 3.977 0.000 . 1 . . . . . 42 GLU HA . 50167 1 403 . 1 . 1 41 41 GLU HB2 H 1 2 0.000 . 1 . . . . . 42 GLU HB2 . 50167 1 404 . 1 . 1 41 41 GLU HG2 H 1 2.219 0.000 . 2 . . . . . 42 GLU HG2 . 50167 1 405 . 1 . 1 41 41 GLU HG3 H 1 2.306 0.000 . 2 . . . . . 42 GLU HG3 . 50167 1 406 . 1 . 1 41 41 GLU C C 13 179.42 0.000 . 1 . . . . . 42 GLU C . 50167 1 407 . 1 . 1 41 41 GLU CA C 13 60.101 0.000 . 1 . . . . . 42 GLU CA . 50167 1 408 . 1 . 1 41 41 GLU CB C 13 28.923 0.000 . 1 . . . . . 42 GLU CB . 50167 1 409 . 1 . 1 41 41 GLU CG C 13 36.512 0.000 . 1 . . . . . 42 GLU CG . 50167 1 410 . 1 . 1 41 41 GLU N N 15 117.321 0.542 . 1 . . . . . 42 GLU N . 50167 1 411 . 1 . 1 42 42 GLU H H 1 8.201 0.003 . 1 . . . . . 43 GLU H . 50167 1 412 . 1 . 1 42 42 GLU HA H 1 3.988 0.000 . 1 . . . . . 43 GLU HA . 50167 1 413 . 1 . 1 42 42 GLU HB2 H 1 1.947 0.000 . 2 . . . . . 43 GLU HB2 . 50167 1 414 . 1 . 1 42 42 GLU HB3 H 1 2 0.000 . 2 . . . . . 43 GLU HB3 . 50167 1 415 . 1 . 1 42 42 GLU HG2 H 1 2.175 0.000 . 2 . . . . . 43 GLU HG2 . 50167 1 416 . 1 . 1 42 42 GLU HG3 H 1 2.297 0.000 . 2 . . . . . 43 GLU HG3 . 50167 1 417 . 1 . 1 42 42 GLU C C 13 179.153 0.000 . 1 . . . . . 43 GLU C . 50167 1 418 . 1 . 1 42 42 GLU CA C 13 59.814 0.000 . 1 . . . . . 43 GLU CA . 50167 1 419 . 1 . 1 42 42 GLU CB C 13 28.861 0.000 . 1 . . . . . 43 GLU CB . 50167 1 420 . 1 . 1 42 42 GLU CG C 13 36.642 0.000 . 1 . . . . . 43 GLU CG . 50167 1 421 . 1 . 1 42 42 GLU N N 15 120.885 0.462 . 1 . . . . . 43 GLU N . 50167 1 422 . 1 . 1 43 43 LYS H H 1 7.737 0.018 . 1 . . . . . 44 LYS H . 50167 1 423 . 1 . 1 43 43 LYS HA H 1 3.781 0.000 . 1 . . . . . 44 LYS HA . 50167 1 424 . 1 . 1 43 43 LYS HB2 H 1 1.441 0.000 . 1 . . . . . 44 LYS HB2 . 50167 1 425 . 1 . 1 43 43 LYS HG2 H 1 0.906 0.000 . 2 . . . . . 44 LYS HG2 . 50167 1 426 . 1 . 1 43 43 LYS HG3 H 1 0.672 0.000 . 2 . . . . . 44 LYS HG3 . 50167 1 427 . 1 . 1 43 43 LYS HD2 H 1 1.108 0.000 . 1 . . . . . 44 LYS HD2 . 50167 1 428 . 1 . 1 43 43 LYS HE2 H 1 2.529 0.000 . 1 . . . . . 44 LYS HE2 . 50167 1 429 . 1 . 1 43 43 LYS C C 13 178.5 0.000 . 1 . . . . . 44 LYS C . 50167 1 430 . 1 . 1 43 43 LYS CA C 13 58.399 0.000 . 1 . . . . . 44 LYS CA . 50167 1 431 . 1 . 1 43 43 LYS CB C 13 31.112 0.000 . 1 . . . . . 44 LYS CB . 50167 1 432 . 1 . 1 43 43 LYS CG C 13 24.355 0.000 . 1 . . . . . 44 LYS CG . 50167 1 433 . 1 . 1 43 43 LYS CD C 13 28.166 0.000 . 1 . . . . . 44 LYS CD . 50167 1 434 . 1 . 1 43 43 LYS CE C 13 42.029 0.000 . 1 . . . . . 44 LYS CE . 50167 1 435 . 1 . 1 43 43 LYS N N 15 120.749 0.558 . 1 . . . . . 44 LYS N . 50167 1 436 . 1 . 1 44 44 PHE H H 1 8.883 0.019 . 1 . . . . . 45 PHE H . 50167 1 437 . 1 . 1 44 44 PHE HA H 1 3.913 0.000 . 1 . . . . . 45 PHE HA . 50167 1 438 . 1 . 1 44 44 PHE HB2 H 1 3.108 0.000 . 2 . . . . . 45 PHE HB2 . 50167 1 439 . 1 . 1 44 44 PHE HB3 H 1 3.334 0.000 . 2 . . . . . 45 PHE HB3 . 50167 1 440 . 1 . 1 44 44 PHE HD1 H 1 7.028 0.000 . 1 . . . . . 45 PHE HD1 . 50167 1 441 . 1 . 1 44 44 PHE HD2 H 1 7.028 0.000 . 1 . . . . . 45 PHE HD2 . 50167 1 442 . 1 . 1 44 44 PHE HE1 H 1 6.567 0.000 . 1 . . . . . 45 PHE HE1 . 50167 1 443 . 1 . 1 44 44 PHE HE2 H 1 6.567 0.000 . 1 . . . . . 45 PHE HE2 . 50167 1 444 . 1 . 1 44 44 PHE C C 13 178.499 0.000 . 1 . . . . . 45 PHE C . 50167 1 445 . 1 . 1 44 44 PHE CA C 13 62.631 0.000 . 1 . . . . . 45 PHE CA . 50167 1 446 . 1 . 1 44 44 PHE CB C 13 39.022 0.000 . 1 . . . . . 45 PHE CB . 50167 1 447 . 1 . 1 44 44 PHE CD1 C 13 133.287 0.000 . 1 . . . . . 45 PHE CD . 50167 1 448 . 1 . 1 44 44 PHE CD2 C 13 133.287 0.000 . 1 . . . . . 45 PHE CD . 50167 1 449 . 1 . 1 44 44 PHE CE1 C 13 130.099 0.000 . 1 . . . . . 45 PHE CE . 50167 1 450 . 1 . 1 44 44 PHE CE2 C 13 130.099 0.000 . 1 . . . . . 45 PHE CE . 50167 1 451 . 1 . 1 44 44 PHE N N 15 120.055 0.566 . 1 . . . . . 45 PHE N . 50167 1 452 . 1 . 1 45 45 LYS H H 1 7.903 0.022 . 1 . . . . . 46 LYS H . 50167 1 453 . 1 . 1 45 45 LYS HA H 1 3.749 0.000 . 1 . . . . . 46 LYS HA . 50167 1 454 . 1 . 1 45 45 LYS HB2 H 1 2.258 0.000 . 1 . . . . . 46 LYS HB2 . 50167 1 455 . 1 . 1 45 45 LYS HG2 H 1 1.539 0.000 . 2 . . . . . 46 LYS HG2 . 50167 1 456 . 1 . 1 45 45 LYS HG3 H 1 1.741 0.000 . 2 . . . . . 46 LYS HG3 . 50167 1 457 . 1 . 1 45 45 LYS HD2 H 1 2.017 0.000 . 1 . . . . . 46 LYS HD2 . 50167 1 458 . 1 . 1 45 45 LYS HE2 H 1 2.988 0.000 . 1 . . . . . 46 LYS HE2 . 50167 1 459 . 1 . 1 45 45 LYS C C 13 177.815 0.000 . 1 . . . . . 46 LYS C . 50167 1 460 . 1 . 1 45 45 LYS CA C 13 60.574 0.000 . 1 . . . . . 46 LYS CA . 50167 1 461 . 1 . 1 45 45 LYS CB C 13 32.1 0.000 . 1 . . . . . 46 LYS CB . 50167 1 462 . 1 . 1 45 45 LYS N N 15 119.393 0.574 . 1 . . . . . 46 LYS N . 50167 1 463 . 1 . 1 46 46 GLU H H 1 8 0.031 . 1 . . . . . 47 GLU H . 50167 1 464 . 1 . 1 46 46 GLU HA H 1 3.897 0.000 . 1 . . . . . 47 GLU HA . 50167 1 465 . 1 . 1 46 46 GLU HB2 H 1 1.953 0.000 . 2 . . . . . 47 GLU HB2 . 50167 1 466 . 1 . 1 46 46 GLU HB3 H 1 2.071 0.000 . 2 . . . . . 47 GLU HB3 . 50167 1 467 . 1 . 1 46 46 GLU HG2 H 1 2.339 0.000 . 2 . . . . . 47 GLU HG2 . 50167 1 468 . 1 . 1 46 46 GLU HG3 H 1 2.235 0.000 . 2 . . . . . 47 GLU HG3 . 50167 1 469 . 1 . 1 46 46 GLU C C 13 180.179 0.000 . 1 . . . . . 47 GLU C . 50167 1 470 . 1 . 1 46 46 GLU CA C 13 59.198 0.000 . 1 . . . . . 47 GLU CA . 50167 1 471 . 1 . 1 46 46 GLU CB C 13 29.092 0.000 . 1 . . . . . 47 GLU CB . 50167 1 472 . 1 . 1 46 46 GLU CG C 13 36.338 0.000 . 1 . . . . . 47 GLU CG . 50167 1 473 . 1 . 1 46 46 GLU N N 15 120.554 0.490 . 1 . . . . . 47 GLU N . 50167 1 474 . 1 . 1 47 47 ILE H H 1 8.326 0.028 . 1 . . . . . 48 ILE H . 50167 1 475 . 1 . 1 47 47 ILE HB H 1 1.953 0.000 . 1 . . . . . 48 ILE HB . 50167 1 476 . 1 . 1 47 47 ILE HG12 H 1 1.449 0.000 . 2 . . . . . 48 ILE HG12 . 50167 1 477 . 1 . 1 47 47 ILE HG13 H 1 1.562 0.000 . 2 . . . . . 48 ILE HG13 . 50167 1 478 . 1 . 1 47 47 ILE HG21 H 1 0.804 0.000 . 1 . . . . . 48 ILE HG21 . 50167 1 479 . 1 . 1 47 47 ILE HG22 H 1 0.804 0.000 . 1 . . . . . 48 ILE HG22 . 50167 1 480 . 1 . 1 47 47 ILE HG23 H 1 0.804 0.000 . 1 . . . . . 48 ILE HG23 . 50167 1 481 . 1 . 1 47 47 ILE HD11 H 1 0.732 0.000 . 1 . . . . . 48 ILE HD11 . 50167 1 482 . 1 . 1 47 47 ILE HD12 H 1 0.732 0.000 . 1 . . . . . 48 ILE HD12 . 50167 1 483 . 1 . 1 47 47 ILE HD13 H 1 0.732 0.000 . 1 . . . . . 48 ILE HD13 . 50167 1 484 . 1 . 1 47 47 ILE C C 13 176.018 0.000 . 1 . . . . . 48 ILE C . 50167 1 485 . 1 . 1 47 47 ILE CA C 13 64.875 0.000 . 1 . . . . . 48 ILE CA . 50167 1 486 . 1 . 1 47 47 ILE CB C 13 38.443 0.000 . 1 . . . . . 48 ILE CB . 50167 1 487 . 1 . 1 47 47 ILE CG2 C 13 21.063 0.000 . 1 . . . . . 48 ILE CG2 . 50167 1 488 . 1 . 1 47 47 ILE CD1 C 13 16.18 0.000 . 1 . . . . . 48 ILE CD1 . 50167 1 489 . 1 . 1 47 47 ILE N N 15 121.514 0.538 . 1 . . . . . 48 ILE N . 50167 1 490 . 1 . 1 48 48 ALA H H 1 6.92 0.020 . 1 . . . . . 49 ALA H . 50167 1 491 . 1 . 1 48 48 ALA HA H 1 3.868 0.000 . 1 . . . . . 49 ALA HA . 50167 1 492 . 1 . 1 48 48 ALA HB1 H 1 1.488 0.000 . 1 . . . . . 49 ALA HB1 . 50167 1 493 . 1 . 1 48 48 ALA HB2 H 1 1.488 0.000 . 1 . . . . . 49 ALA HB2 . 50167 1 494 . 1 . 1 48 48 ALA HB3 H 1 1.488 0.000 . 1 . . . . . 49 ALA HB3 . 50167 1 495 . 1 . 1 48 48 ALA C C 13 178.285 0.000 . 1 . . . . . 49 ALA C . 50167 1 496 . 1 . 1 48 48 ALA CA C 13 55.126 0.000 . 1 . . . . . 49 ALA CA . 50167 1 497 . 1 . 1 48 48 ALA CB C 13 18.563 0.042 . 1 . . . . . 49 ALA CB . 50167 1 498 . 1 . 1 48 48 ALA N N 15 121.793 0.544 . 1 . . . . . 49 ALA N . 50167 1 499 . 1 . 1 49 49 GLU H H 1 7.361 0.016 . 1 . . . . . 50 GLU H . 50167 1 500 . 1 . 1 49 49 GLU HB2 H 1 1.768 0.000 . 1 . . . . . 50 GLU HB2 . 50167 1 501 . 1 . 1 49 49 GLU HG2 H 1 2.666 0.000 . 1 . . . . . 50 GLU HG2 . 50167 1 502 . 1 . 1 49 49 GLU C C 13 176.129 0.000 . 1 . . . . . 50 GLU C . 50167 1 503 . 1 . 1 49 49 GLU CA C 13 59.074 0.000 . 1 . . . . . 50 GLU CA . 50167 1 504 . 1 . 1 49 49 GLU CB C 13 28.937 0.000 . 1 . . . . . 50 GLU CB . 50167 1 505 . 1 . 1 49 49 GLU CG C 13 36.25 0.000 . 1 . . . . . 50 GLU CG . 50167 1 506 . 1 . 1 49 49 GLU N N 15 119.098 0.516 . 1 . . . . . 50 GLU N . 50167 1 507 . 1 . 1 50 50 ALA H H 1 7.66 0.020 . 1 . . . . . 51 ALA H . 50167 1 508 . 1 . 1 50 50 ALA HA H 1 3.066 0.000 . 1 . . . . . 51 ALA HA . 50167 1 509 . 1 . 1 50 50 ALA HB1 H 1 1.393 0.101 . 1 . . . . . 51 ALA HB1 . 50167 1 510 . 1 . 1 50 50 ALA HB2 H 1 1.393 0.101 . 1 . . . . . 51 ALA HB2 . 50167 1 511 . 1 . 1 50 50 ALA HB3 H 1 1.393 0.101 . 1 . . . . . 51 ALA HB3 . 50167 1 512 . 1 . 1 50 50 ALA C C 13 178.538 0.000 . 1 . . . . . 51 ALA C . 50167 1 513 . 1 . 1 50 50 ALA CA C 13 54.664 0.000 . 1 . . . . . 51 ALA CA . 50167 1 514 . 1 . 1 50 50 ALA CB C 13 18.492 0.049 . 1 . . . . . 51 ALA CB . 50167 1 515 . 1 . 1 50 50 ALA N N 15 118.047 0.539 . 1 . . . . . 51 ALA N . 50167 1 516 . 1 . 1 51 51 TYR H H 1 7.838 0.026 . 1 . . . . . 52 TYR H . 50167 1 517 . 1 . 1 51 51 TYR HA H 1 3.498 0.000 . 1 . . . . . 52 TYR HA . 50167 1 518 . 1 . 1 51 51 TYR HB2 H 1 2.194 0.000 . 2 . . . . . 52 TYR HB2 . 50167 1 519 . 1 . 1 51 51 TYR HB3 H 1 2.403 0.000 . 2 . . . . . 52 TYR HB3 . 50167 1 520 . 1 . 1 51 51 TYR HD1 H 1 6.168 0.000 . 1 . . . . . 52 TYR HD1 . 50167 1 521 . 1 . 1 51 51 TYR HD2 H 1 6.168 0.000 . 1 . . . . . 52 TYR HD2 . 50167 1 522 . 1 . 1 51 51 TYR HE1 H 1 6.236 0.000 . 1 . . . . . 52 TYR HE1 . 50167 1 523 . 1 . 1 51 51 TYR HE2 H 1 6.236 0.000 . 1 . . . . . 52 TYR HE2 . 50167 1 524 . 1 . 1 51 51 TYR C C 13 177.306 0.000 . 1 . . . . . 52 TYR C . 50167 1 525 . 1 . 1 51 51 TYR CA C 13 61.415 0.000 . 1 . . . . . 52 TYR CA . 50167 1 526 . 1 . 1 51 51 TYR CB C 13 39.683 0.000 . 1 . . . . . 52 TYR CB . 50167 1 527 . 1 . 1 51 51 TYR CD1 C 13 131.694 0.000 . 1 . . . . . 52 TYR CD . 50167 1 528 . 1 . 1 51 51 TYR CD2 C 13 131.694 0.000 . 1 . . . . . 52 TYR CD . 50167 1 529 . 1 . 1 51 51 TYR CE1 C 13 117.405 0.000 . 1 . . . . . 52 TYR CE . 50167 1 530 . 1 . 1 51 51 TYR CE2 C 13 117.405 0.000 . 1 . . . . . 52 TYR CE . 50167 1 531 . 1 . 1 51 51 TYR N N 15 115.867 0.061 . 1 . . . . . 52 TYR N . 50167 1 532 . 1 . 1 52 52 ASP H H 1 8.33 0.027 . 1 . . . . . 53 ASP H . 50167 1 533 . 1 . 1 52 52 ASP HA H 1 3.684 0.000 . 1 . . . . . 53 ASP HA . 50167 1 534 . 1 . 1 52 52 ASP HB2 H 1 2.531 0.000 . 2 . . . . . 53 ASP HB2 . 50167 1 535 . 1 . 1 52 52 ASP HB3 H 1 2.715 0.000 . 2 . . . . . 53 ASP HB3 . 50167 1 536 . 1 . 1 52 52 ASP C C 13 176.751 0.000 . 1 . . . . . 53 ASP C . 50167 1 537 . 1 . 1 52 52 ASP CA C 13 58.075 0.000 . 1 . . . . . 53 ASP CA . 50167 1 538 . 1 . 1 52 52 ASP CB C 13 42.874 0.000 . 1 . . . . . 53 ASP CB . 50167 1 539 . 1 . 1 52 52 ASP N N 15 122.91 0.449 . 1 . . . . . 53 ASP N . 50167 1 540 . 1 . 1 53 53 VAL H H 1 7.24 0.022 . 1 . . . . . 54 VAL H . 50167 1 541 . 1 . 1 53 53 VAL HG11 H 1 0.099 0.002 . 2 . . . . . 54 VAL HG11 . 50167 1 542 . 1 . 1 53 53 VAL HG12 H 1 0.099 0.002 . 2 . . . . . 54 VAL HG12 . 50167 1 543 . 1 . 1 53 53 VAL HG13 H 1 0.099 0.002 . 2 . . . . . 54 VAL HG13 . 50167 1 544 . 1 . 1 53 53 VAL HG21 H 1 0.164 0.000 . 2 . . . . . 54 VAL HG21 . 50167 1 545 . 1 . 1 53 53 VAL HG22 H 1 0.164 0.000 . 2 . . . . . 54 VAL HG22 . 50167 1 546 . 1 . 1 53 53 VAL HG23 H 1 0.164 0.000 . 2 . . . . . 54 VAL HG23 . 50167 1 547 . 1 . 1 53 53 VAL C C 13 176.205 0.000 . 1 . . . . . 54 VAL C . 50167 1 548 . 1 . 1 53 53 VAL CA C 13 66.359 0.000 . 1 . . . . . 54 VAL CA . 50167 1 549 . 1 . 1 53 53 VAL CB C 13 31.553 0.000 . 1 . . . . . 54 VAL CB . 50167 1 550 . 1 . 1 53 53 VAL CG1 C 13 20.696 0.000 . 2 . . . . . 54 VAL CG1 . 50167 1 551 . 1 . 1 53 53 VAL CG2 C 13 22.555 0.000 . 2 . . . . . 54 VAL CG2 . 50167 1 552 . 1 . 1 53 53 VAL N N 15 114.153 0.574 . 1 . . . . . 54 VAL N . 50167 1 553 . 1 . 1 54 54 LEU H H 1 7.499 0.020 . 1 . . . . . 55 LEU H . 50167 1 554 . 1 . 1 54 54 LEU HA H 1 3.427 0.000 . 1 . . . . . 55 LEU HA . 50167 1 555 . 1 . 1 54 54 LEU HB2 H 1 1.214 0.000 . 1 . . . . . 55 LEU HB2 . 50167 1 556 . 1 . 1 54 54 LEU HG H 1 0.913 0.000 . 1 . . . . . 55 LEU HG . 50167 1 557 . 1 . 1 54 54 LEU HD11 H 1 0.154 0.000 . 2 . . . . . 55 LEU HD11 . 50167 1 558 . 1 . 1 54 54 LEU HD12 H 1 0.154 0.000 . 2 . . . . . 55 LEU HD12 . 50167 1 559 . 1 . 1 54 54 LEU HD13 H 1 0.154 0.000 . 2 . . . . . 55 LEU HD13 . 50167 1 560 . 1 . 1 54 54 LEU HD21 H 1 -0.048 0.000 . 2 . . . . . 55 LEU HD21 . 50167 1 561 . 1 . 1 54 54 LEU HD22 H 1 -0.048 0.000 . 2 . . . . . 55 LEU HD22 . 50167 1 562 . 1 . 1 54 54 LEU HD23 H 1 -0.048 0.000 . 2 . . . . . 55 LEU HD23 . 50167 1 563 . 1 . 1 54 54 LEU C C 13 177.416 0.000 . 1 . . . . . 55 LEU C . 50167 1 564 . 1 . 1 54 54 LEU CA C 13 56.753 0.000 . 1 . . . . . 55 LEU CA . 50167 1 565 . 1 . 1 54 54 LEU CB C 13 41.549 0.000 . 1 . . . . . 55 LEU CB . 50167 1 566 . 1 . 1 54 54 LEU CD1 C 13 22.013 0.070 . 2 . . . . . 55 LEU CD1 . 50167 1 567 . 1 . 1 54 54 LEU CD2 C 13 25.125 0.000 . 2 . . . . . 55 LEU CD2 . 50167 1 568 . 1 . 1 54 54 LEU N N 15 110.874 0.551 . 1 . . . . . 55 LEU N . 50167 1 569 . 1 . 1 55 55 SER H H 1 7.771 0.023 . 1 . . . . . 56 SER H . 50167 1 570 . 1 . 1 55 55 SER HA H 1 3.828 0.000 . 1 . . . . . 56 SER HA . 50167 1 571 . 1 . 1 55 55 SER HB2 H 1 3.529 0.111 . 1 . . . . . 56 SER HB2 . 50167 1 572 . 1 . 1 55 55 SER C C 13 173.523 0.000 . 1 . . . . . 56 SER C . 50167 1 573 . 1 . 1 55 55 SER CA C 13 59.26 0.000 . 1 . . . . . 56 SER CA . 50167 1 574 . 1 . 1 55 55 SER CB C 13 63.475 0.000 . 1 . . . . . 56 SER CB . 50167 1 575 . 1 . 1 55 55 SER N N 15 109.424 0.394 . 1 . . . . . 56 SER N . 50167 1 576 . 1 . 1 56 56 ASP H H 1 6.915 0.000 . 1 . . . . . 57 ASP H . 50167 1 577 . 1 . 1 56 56 ASP HA H 1 5.035 0.000 . 1 . . . . . 57 ASP HA . 50167 1 578 . 1 . 1 56 56 ASP HB2 H 1 2.639 0.000 . 1 . . . . . 57 ASP HB2 . 50167 1 579 . 1 . 1 56 56 ASP C C 13 173.752 0.000 . 1 . . . . . 57 ASP C . 50167 1 580 . 1 . 1 56 56 ASP CA C 13 49.702 0.000 . 1 . . . . . 57 ASP CA . 50167 1 581 . 1 . 1 56 56 ASP CB C 13 42.826 0.000 . 1 . . . . . 57 ASP CB . 50167 1 582 . 1 . 1 56 56 ASP N N 15 125.154 0.000 . 1 . . . . . 57 ASP N . 50167 1 583 . 1 . 1 57 57 PRO C C 13 176.024 0.000 . 1 . . . . . 58 PRO C . 50167 1 584 . 1 . 1 57 57 PRO CA C 13 65.176 0.000 . 1 . . . . . 58 PRO CA . 50167 1 585 . 1 . 1 57 57 PRO CB C 13 32.454 0.000 . 1 . . . . . 58 PRO CB . 50167 1 586 . 1 . 1 58 58 ARG H H 1 7.754 0.014 . 1 . . . . . 59 ARG H . 50167 1 587 . 1 . 1 58 58 ARG HA H 1 4.011 0.000 . 1 . . . . . 59 ARG HA . 50167 1 588 . 1 . 1 58 58 ARG HB2 H 1 2.208 0.000 . 2 . . . . . 59 ARG HB2 . 50167 1 589 . 1 . 1 58 58 ARG HB3 H 1 1.973 0.000 . 2 . . . . . 59 ARG HB3 . 50167 1 590 . 1 . 1 58 58 ARG HG2 H 1 1.536 0.000 . 2 . . . . . 59 ARG HG2 . 50167 1 591 . 1 . 1 58 58 ARG HG3 H 1 1.822 0.000 . 2 . . . . . 59 ARG HG3 . 50167 1 592 . 1 . 1 58 58 ARG HD2 H 1 3.131 0.000 . 2 . . . . . 59 ARG HD2 . 50167 1 593 . 1 . 1 58 58 ARG HD3 H 1 3.068 0.000 . 2 . . . . . 59 ARG HD3 . 50167 1 594 . 1 . 1 58 58 ARG C C 13 178.985 0.000 . 1 . . . . . 59 ARG C . 50167 1 595 . 1 . 1 58 58 ARG CA C 13 58.954 0.000 . 1 . . . . . 59 ARG CA . 50167 1 596 . 1 . 1 58 58 ARG CB C 13 30.02 0.000 . 1 . . . . . 59 ARG CB . 50167 1 597 . 1 . 1 58 58 ARG CG C 13 26.815 0.000 . 1 . . . . . 59 ARG CG . 50167 1 598 . 1 . 1 58 58 ARG CD C 13 42.934 0.000 . 1 . . . . . 59 ARG CD . 50167 1 599 . 1 . 1 58 58 ARG N N 15 116.081 0.546 . 1 . . . . . 59 ARG N . 50167 1 600 . 1 . 1 59 59 LYS H H 1 7.144 0.029 . 1 . . . . . 60 LYS H . 50167 1 601 . 1 . 1 59 59 LYS HA H 1 3.705 0.000 . 1 . . . . . 60 LYS HA . 50167 1 602 . 1 . 1 59 59 LYS HB2 H 1 1.53 0.000 . 1 . . . . . 60 LYS HB2 . 50167 1 603 . 1 . 1 59 59 LYS HG2 H 1 1.01 0.000 . 1 . . . . . 60 LYS HG2 . 50167 1 604 . 1 . 1 59 59 LYS HD2 H 1 1.228 0.000 . 1 . . . . . 60 LYS HD2 . 50167 1 605 . 1 . 1 59 59 LYS HE2 H 1 2.246 0.000 . 1 . . . . . 60 LYS HE2 . 50167 1 606 . 1 . 1 59 59 LYS C C 13 177.886 0.000 . 1 . . . . . 60 LYS C . 50167 1 607 . 1 . 1 59 59 LYS CA C 13 60.249 0.000 . 1 . . . . . 60 LYS CA . 50167 1 608 . 1 . 1 59 59 LYS CB C 13 32.887 0.000 . 1 . . . . . 60 LYS CB . 50167 1 609 . 1 . 1 59 59 LYS CG C 13 26.063 0.000 . 1 . . . . . 60 LYS CG . 50167 1 610 . 1 . 1 59 59 LYS CD C 13 30.821 0.000 . 1 . . . . . 60 LYS CD . 50167 1 611 . 1 . 1 59 59 LYS N N 15 118.643 0.615 . 1 . . . . . 60 LYS N . 50167 1 612 . 1 . 1 60 60 ARG H H 1 9.016 0.018 . 1 . . . . . 61 ARG H . 50167 1 613 . 1 . 1 60 60 ARG HA H 1 3.432 0.000 . 1 . . . . . 61 ARG HA . 50167 1 614 . 1 . 1 60 60 ARG HB2 H 1 1.904 0.000 . 1 . . . . . 61 ARG HB2 . 50167 1 615 . 1 . 1 60 60 ARG HG2 H 1 1.546 0.000 . 2 . . . . . 61 ARG HG2 . 50167 1 616 . 1 . 1 60 60 ARG HG3 H 1 1.69 0.000 . 2 . . . . . 61 ARG HG3 . 50167 1 617 . 1 . 1 60 60 ARG HD2 H 1 3.064 0.000 . 1 . . . . . 61 ARG HD2 . 50167 1 618 . 1 . 1 60 60 ARG C C 13 177.393 0.000 . 1 . . . . . 61 ARG C . 50167 1 619 . 1 . 1 60 60 ARG CA C 13 60.747 0.000 . 1 . . . . . 61 ARG CA . 50167 1 620 . 1 . 1 60 60 ARG CB C 13 29.769 0.000 . 1 . . . . . 61 ARG CB . 50167 1 621 . 1 . 1 60 60 ARG CG C 13 26.803 0.000 . 1 . . . . . 61 ARG CG . 50167 1 622 . 1 . 1 60 60 ARG CD C 13 43.53 0.000 . 1 . . . . . 61 ARG CD . 50167 1 623 . 1 . 1 60 60 ARG N N 15 121.048 0.582 . 1 . . . . . 61 ARG N . 50167 1 624 . 1 . 1 61 61 GLU H H 1 7.603 0.026 . 1 . . . . . 62 GLU H . 50167 1 625 . 1 . 1 61 61 GLU HA H 1 4.028 0.000 . 1 . . . . . 62 GLU HA . 50167 1 626 . 1 . 1 61 61 GLU HB2 H 1 1.979 0.000 . 2 . . . . . 62 GLU HB2 . 50167 1 627 . 1 . 1 61 61 GLU HB3 H 1 2.049 0.000 . 2 . . . . . 62 GLU HB3 . 50167 1 628 . 1 . 1 61 61 GLU HG2 H 1 2.29 0.000 . 2 . . . . . 62 GLU HG2 . 50167 1 629 . 1 . 1 61 61 GLU HG3 H 1 2.199 0.000 . 2 . . . . . 62 GLU HG3 . 50167 1 630 . 1 . 1 61 61 GLU C C 13 178.866 0.000 . 1 . . . . . 62 GLU C . 50167 1 631 . 1 . 1 61 61 GLU CA C 13 59.544 0.000 . 1 . . . . . 62 GLU CA . 50167 1 632 . 1 . 1 61 61 GLU CB C 13 29.082 0.000 . 1 . . . . . 62 GLU CB . 50167 1 633 . 1 . 1 61 61 GLU CG C 13 36 0.000 . 1 . . . . . 62 GLU CG . 50167 1 634 . 1 . 1 61 61 GLU N N 15 116.869 0.530 . 1 . . . . . 62 GLU N . 50167 1 635 . 1 . 1 62 62 ILE H H 1 7.363 0.030 . 1 . . . . . 63 ILE H . 50167 1 636 . 1 . 1 62 62 ILE HB H 1 1.809 0.019 . 1 . . . . . 63 ILE HB . 50167 1 637 . 1 . 1 62 62 ILE HG12 H 1 1.106 0.000 . 1 . . . . . 63 ILE HG12 . 50167 1 638 . 1 . 1 62 62 ILE HG21 H 1 0.847 0.000 . 1 . . . . . 63 ILE HG21 . 50167 1 639 . 1 . 1 62 62 ILE HG22 H 1 0.847 0.000 . 1 . . . . . 63 ILE HG22 . 50167 1 640 . 1 . 1 62 62 ILE HG23 H 1 0.847 0.000 . 1 . . . . . 63 ILE HG23 . 50167 1 641 . 1 . 1 62 62 ILE HD11 H 1 0.619 0.000 . 1 . . . . . 63 ILE HD11 . 50167 1 642 . 1 . 1 62 62 ILE HD12 H 1 0.619 0.000 . 1 . . . . . 63 ILE HD12 . 50167 1 643 . 1 . 1 62 62 ILE HD13 H 1 0.619 0.000 . 1 . . . . . 63 ILE HD13 . 50167 1 644 . 1 . 1 62 62 ILE C C 13 177.903 0.000 . 1 . . . . . 63 ILE C . 50167 1 645 . 1 . 1 62 62 ILE CA C 13 65.007 0.000 . 1 . . . . . 63 ILE CA . 50167 1 646 . 1 . 1 62 62 ILE CB C 13 37.96 0.000 . 1 . . . . . 63 ILE CB . 50167 1 647 . 1 . 1 62 62 ILE CG2 C 13 17.683 0.000 . 1 . . . . . 63 ILE CG2 . 50167 1 648 . 1 . 1 62 62 ILE CD1 C 13 12.518 0.000 . 1 . . . . . 63 ILE CD1 . 50167 1 649 . 1 . 1 62 62 ILE N N 15 119.363 1.111 . 1 . . . . . 63 ILE N . 50167 1 650 . 1 . 1 63 63 PHE H H 1 8.694 0.032 . 1 . . . . . 64 PHE H . 50167 1 651 . 1 . 1 63 63 PHE HA H 1 3.933 0.000 . 1 . . . . . 64 PHE HA . 50167 1 652 . 1 . 1 63 63 PHE HB2 H 1 2.944 0.000 . 1 . . . . . 64 PHE HB2 . 50167 1 653 . 1 . 1 63 63 PHE HD1 H 1 7.127 0.000 . 1 . . . . . 64 PHE HD1 . 50167 1 654 . 1 . 1 63 63 PHE HD2 H 1 7.127 0.000 . 1 . . . . . 64 PHE HD2 . 50167 1 655 . 1 . 1 63 63 PHE HE1 H 1 7.476 0.000 . 1 . . . . . 64 PHE HE1 . 50167 1 656 . 1 . 1 63 63 PHE HE2 H 1 7.476 0.000 . 1 . . . . . 64 PHE HE2 . 50167 1 657 . 1 . 1 63 63 PHE C C 13 178.38 0.000 . 1 . . . . . 64 PHE C . 50167 1 658 . 1 . 1 63 63 PHE CA C 13 61.762 0.000 . 1 . . . . . 64 PHE CA . 50167 1 659 . 1 . 1 63 63 PHE CB C 13 39.296 0.000 . 1 . . . . . 64 PHE CB . 50167 1 660 . 1 . 1 63 63 PHE CD1 C 13 131.56 0.000 . 1 . . . . . 64 PHE CD . 50167 1 661 . 1 . 1 63 63 PHE CD2 C 13 131.56 0.000 . 1 . . . . . 64 PHE CD . 50167 1 662 . 1 . 1 63 63 PHE CE1 C 13 132.569 0.000 . 1 . . . . . 64 PHE CE . 50167 1 663 . 1 . 1 63 63 PHE CE2 C 13 132.569 0.000 . 1 . . . . . 64 PHE CE . 50167 1 664 . 1 . 1 63 63 PHE N N 15 121.334 0.550 . 1 . . . . . 64 PHE N . 50167 1 665 . 1 . 1 64 64 ASP H H 1 9.54 0.020 . 1 . . . . . 65 ASP H . 50167 1 666 . 1 . 1 64 64 ASP HA H 1 4.117 0.000 . 1 . . . . . 65 ASP HA . 50167 1 667 . 1 . 1 64 64 ASP HB2 H 1 2.413 0.000 . 2 . . . . . 65 ASP HB2 . 50167 1 668 . 1 . 1 64 64 ASP HB3 H 1 2.681 0.000 . 2 . . . . . 65 ASP HB3 . 50167 1 669 . 1 . 1 64 64 ASP C C 13 178.58 0.000 . 1 . . . . . 65 ASP C . 50167 1 670 . 1 . 1 64 64 ASP CA C 13 57.264 0.000 . 1 . . . . . 65 ASP CA . 50167 1 671 . 1 . 1 64 64 ASP CB C 13 39.893 0.000 . 1 . . . . . 65 ASP CB . 50167 1 672 . 1 . 1 64 64 ASP N N 15 122.429 0.716 . 1 . . . . . 65 ASP N . 50167 1 673 . 1 . 1 65 65 ARG H H 1 7.331 0.029 . 1 . . . . . 66 ARG H . 50167 1 674 . 1 . 1 65 65 ARG HA H 1 3.902 0.000 . 1 . . . . . 66 ARG HA . 50167 1 675 . 1 . 1 65 65 ARG HB2 H 1 1.166 0.000 . 2 . . . . . 66 ARG HB2 . 50167 1 676 . 1 . 1 65 65 ARG HB3 H 1 1.273 0.000 . 2 . . . . . 66 ARG HB3 . 50167 1 677 . 1 . 1 65 65 ARG HG2 H 1 0.799 0.000 . 2 . . . . . 66 ARG HG2 . 50167 1 678 . 1 . 1 65 65 ARG HG3 H 1 0.892 0.000 . 2 . . . . . 66 ARG HG3 . 50167 1 679 . 1 . 1 65 65 ARG HD2 H 1 2.814 0.000 . 1 . . . . . 66 ARG HD2 . 50167 1 680 . 1 . 1 65 65 ARG C C 13 177.696 0.023 . 1 . . . . . 66 ARG C . 50167 1 681 . 1 . 1 65 65 ARG CA C 13 57.819 0.000 . 1 . . . . . 66 ARG CA . 50167 1 682 . 1 . 1 65 65 ARG CB C 13 31.313 0.000 . 1 . . . . . 66 ARG CB . 50167 1 683 . 1 . 1 65 65 ARG CG C 13 26.939 0.000 . 1 . . . . . 66 ARG CG . 50167 1 684 . 1 . 1 65 65 ARG CD C 13 43.482 0.000 . 1 . . . . . 66 ARG CD . 50167 1 685 . 1 . 1 65 65 ARG N N 15 116.634 0.559 . 1 . . . . . 66 ARG N . 50167 1 686 . 1 . 1 66 66 TYR H H 1 8.589 0.017 . 1 . . . . . 67 TYR H . 50167 1 687 . 1 . 1 66 66 TYR HA H 1 4.743 0.000 . 1 . . . . . 67 TYR HA . 50167 1 688 . 1 . 1 66 66 TYR HB2 H 1 3.321 0.000 . 2 . . . . . 67 TYR HB2 . 50167 1 689 . 1 . 1 66 66 TYR HB3 H 1 3.194 0.000 . 2 . . . . . 67 TYR HB3 . 50167 1 690 . 1 . 1 66 66 TYR HD1 H 1 7.163 0.000 . 1 . . . . . 67 TYR HD1 . 50167 1 691 . 1 . 1 66 66 TYR HD2 H 1 7.163 0.000 . 1 . . . . . 67 TYR HD2 . 50167 1 692 . 1 . 1 66 66 TYR HE1 H 1 6.727 0.000 . 1 . . . . . 67 TYR HE1 . 50167 1 693 . 1 . 1 66 66 TYR HE2 H 1 6.727 0.000 . 1 . . . . . 67 TYR HE2 . 50167 1 694 . 1 . 1 66 66 TYR C C 13 176.887 0.000 . 1 . . . . . 67 TYR C . 50167 1 695 . 1 . 1 66 66 TYR CA C 13 57.526 0.000 . 1 . . . . . 67 TYR CA . 50167 1 696 . 1 . 1 66 66 TYR CB C 13 41.544 0.000 . 1 . . . . . 67 TYR CB . 50167 1 697 . 1 . 1 66 66 TYR CD1 C 13 133.416 0.000 . 1 . . . . . 67 TYR CD . 50167 1 698 . 1 . 1 66 66 TYR CD2 C 13 133.416 0.000 . 1 . . . . . 67 TYR CD . 50167 1 699 . 1 . 1 66 66 TYR CE1 C 13 117.842 0.000 . 1 . . . . . 67 TYR CE . 50167 1 700 . 1 . 1 66 66 TYR CE2 C 13 117.842 0.000 . 1 . . . . . 67 TYR CE . 50167 1 701 . 1 . 1 66 66 TYR N N 15 115.557 0.673 . 1 . . . . . 67 TYR N . 50167 1 702 . 1 . 1 67 67 GLY H H 1 7.797 0.000 . 1 . . . . . 68 GLY H . 50167 1 703 . 1 . 1 67 67 GLY HA2 H 1 4.045 0.000 . 1 . . . . . 68 GLY HA2 . 50167 1 704 . 1 . 1 67 67 GLY C C 13 173.611 0.000 . 1 . . . . . 68 GLY C . 50167 1 705 . 1 . 1 67 67 GLY CA C 13 44.902 0.000 . 1 . . . . . 68 GLY CA . 50167 1 706 . 1 . 1 67 67 GLY N N 15 108.581 0.000 . 1 . . . . . 68 GLY N . 50167 1 707 . 1 . 1 68 68 GLU H H 1 9.203 0.027 . 1 . . . . . 69 GLU H . 50167 1 708 . 1 . 1 68 68 GLU HA H 1 4.023 0.000 . 1 . . . . . 69 GLU HA . 50167 1 709 . 1 . 1 68 68 GLU HB2 H 1 2.173 0.003 . 1 . . . . . 69 GLU HB2 . 50167 1 710 . 1 . 1 68 68 GLU HG2 H 1 2.346 0.000 . 2 . . . . . 69 GLU HG2 . 50167 1 711 . 1 . 1 68 68 GLU HG3 H 1 2.46 0.000 . 2 . . . . . 69 GLU HG3 . 50167 1 712 . 1 . 1 68 68 GLU C C 13 178.7 0.000 . 1 . . . . . 69 GLU C . 50167 1 713 . 1 . 1 68 68 GLU CA C 13 60.054 0.000 . 1 . . . . . 69 GLU CA . 50167 1 714 . 1 . 1 68 68 GLU CB C 13 30.038 0.000 . 1 . . . . . 69 GLU CB . 50167 1 715 . 1 . 1 68 68 GLU CG C 13 35.587 0.000 . 1 . . . . . 69 GLU CG . 50167 1 716 . 1 . 1 68 68 GLU N N 15 122.22 0.609 . 1 . . . . . 69 GLU N . 50167 1 717 . 1 . 1 69 69 GLU H H 1 9.215 0.016 . 1 . . . . . 70 GLU H . 50167 1 718 . 1 . 1 69 69 GLU HA H 1 3.99 0.000 . 1 . . . . . 70 GLU HA . 50167 1 719 . 1 . 1 69 69 GLU HB2 H 1 2.105 0.108 . 2 . . . . . 70 GLU HB2 . 50167 1 720 . 1 . 1 69 69 GLU HB3 H 1 1.918 0.000 . 2 . . . . . 70 GLU HB3 . 50167 1 721 . 1 . 1 69 69 GLU HG2 H 1 2.214 0.000 . 2 . . . . . 70 GLU HG2 . 50167 1 722 . 1 . 1 69 69 GLU HG3 H 1 2.339 0.100 . 2 . . . . . 70 GLU HG3 . 50167 1 723 . 1 . 1 69 69 GLU C C 13 179.294 0.000 . 1 . . . . . 70 GLU C . 50167 1 724 . 1 . 1 69 69 GLU CA C 13 59.438 0.000 . 1 . . . . . 70 GLU CA . 50167 1 725 . 1 . 1 69 69 GLU CB C 13 29.289 0.000 . 1 . . . . . 70 GLU CB . 50167 1 726 . 1 . 1 69 69 GLU CG C 13 36.134 0.000 . 1 . . . . . 70 GLU CG . 50167 1 727 . 1 . 1 69 69 GLU N N 15 117.365 0.709 . 1 . . . . . 70 GLU N . 50167 1 728 . 1 . 1 70 70 GLY H H 1 7.426 0.000 . 1 . . . . . 71 GLY H . 50167 1 729 . 1 . 1 70 70 GLY HA2 H 1 3.455 0.000 . 1 . . . . . 71 GLY HA2 . 50167 1 730 . 1 . 1 70 70 GLY CA C 13 46.481 0.000 . 1 . . . . . 71 GLY CA . 50167 1 731 . 1 . 1 70 70 GLY N N 15 105.806 1.053 . 1 . . . . . 71 GLY N . 50167 1 732 . 1 . 1 71 71 LEU H H 1 7.718 0.020 . 1 . . . . . 72 LEU H . 50167 1 733 . 1 . 1 71 71 LEU HA H 1 4.212 0.000 . 1 . . . . . 72 LEU HA . 50167 1 734 . 1 . 1 71 71 LEU HB2 H 1 2.011 0.000 . 2 . . . . . 72 LEU HB2 . 50167 1 735 . 1 . 1 71 71 LEU HB3 H 1 1.757 0.000 . 2 . . . . . 72 LEU HB3 . 50167 1 736 . 1 . 1 71 71 LEU HG H 1 1.641 0.015 . 1 . . . . . 72 LEU HG . 50167 1 737 . 1 . 1 71 71 LEU HD11 H 1 0.88 0.000 . 2 . . . . . 72 LEU HD11 . 50167 1 738 . 1 . 1 71 71 LEU HD12 H 1 0.88 0.000 . 2 . . . . . 72 LEU HD12 . 50167 1 739 . 1 . 1 71 71 LEU HD13 H 1 0.88 0.000 . 2 . . . . . 72 LEU HD13 . 50167 1 740 . 1 . 1 71 71 LEU HD21 H 1 0.925 0.000 . 2 . . . . . 72 LEU HD21 . 50167 1 741 . 1 . 1 71 71 LEU HD22 H 1 0.925 0.000 . 2 . . . . . 72 LEU HD22 . 50167 1 742 . 1 . 1 71 71 LEU HD23 H 1 0.925 0.000 . 2 . . . . . 72 LEU HD23 . 50167 1 743 . 1 . 1 71 71 LEU C C 13 177.57 0.000 . 1 . . . . . 72 LEU C . 50167 1 744 . 1 . 1 71 71 LEU CA C 13 59.237 0.000 . 1 . . . . . 72 LEU CA . 50167 1 745 . 1 . 1 71 71 LEU CB C 13 43.366 0.000 . 1 . . . . . 72 LEU CB . 50167 1 746 . 1 . 1 71 71 LEU CG C 13 26.978 0.000 . 1 . . . . . 72 LEU CG . 50167 1 747 . 1 . 1 71 71 LEU CD1 C 13 26.459 0.000 . 2 . . . . . 72 LEU CD1 . 50167 1 748 . 1 . 1 71 71 LEU CD2 C 13 25.243 0.000 . 2 . . . . . 72 LEU CD2 . 50167 1 749 . 1 . 1 71 71 LEU N N 15 121.353 0.597 . 1 . . . . . 72 LEU N . 50167 1 750 . 1 . 1 72 72 LYS H H 1 7.955 0.016 . 1 . . . . . 73 LYS H . 50167 1 751 . 1 . 1 72 72 LYS HA H 1 4.537 0.000 . 1 . . . . . 73 LYS HA . 50167 1 752 . 1 . 1 72 72 LYS HB2 H 1 2.244 0.000 . 1 . . . . . 73 LYS HB2 . 50167 1 753 . 1 . 1 72 72 LYS HG2 H 1 1.63 0.000 . 2 . . . . . 73 LYS HG2 . 50167 1 754 . 1 . 1 72 72 LYS HG3 H 1 1.797 0.000 . 2 . . . . . 73 LYS HG3 . 50167 1 755 . 1 . 1 72 72 LYS HD2 H 1 1.982 0.000 . 1 . . . . . 73 LYS HD2 . 50167 1 756 . 1 . 1 72 72 LYS HE2 H 1 2.857 0.000 . 1 . . . . . 73 LYS HE2 . 50167 1 757 . 1 . 1 72 72 LYS C C 13 177.638 0.000 . 1 . . . . . 73 LYS C . 50167 1 758 . 1 . 1 72 72 LYS CA C 13 57.031 0.000 . 1 . . . . . 73 LYS CA . 50167 1 759 . 1 . 1 72 72 LYS CB C 13 33.427 0.000 . 1 . . . . . 73 LYS CB . 50167 1 760 . 1 . 1 72 72 LYS CG C 13 26.55 0.000 . 1 . . . . . 73 LYS CG . 50167 1 761 . 1 . 1 72 72 LYS CD C 13 29.606 0.000 . 1 . . . . . 73 LYS CD . 50167 1 762 . 1 . 1 72 72 LYS CE C 13 42.56 0.000 . 1 . . . . . 73 LYS CE . 50167 1 763 . 1 . 1 72 72 LYS N N 15 115.263 0.726 . 1 . . . . . 73 LYS N . 50167 1 764 . 1 . 1 73 73 GLY H H 1 7.782 0.017 . 1 . . . . . 74 GLY H . 50167 1 765 . 1 . 1 73 73 GLY HA2 H 1 3.95 0.000 . 1 . . . . . 74 GLY HA2 . 50167 1 766 . 1 . 1 73 73 GLY C C 13 174.068 0.000 . 1 . . . . . 74 GLY C . 50167 1 767 . 1 . 1 73 73 GLY CA C 13 45.718 0.000 . 1 . . . . . 74 GLY CA . 50167 1 768 . 1 . 1 73 73 GLY N N 15 108.668 0.592 . 1 . . . . . 74 GLY N . 50167 1 769 . 1 . 1 74 74 SER H H 1 8.226 0.020 . 1 . . . . . 75 SER H . 50167 1 770 . 1 . 1 74 74 SER HA H 1 4.422 0.000 . 1 . . . . . 75 SER HA . 50167 1 771 . 1 . 1 74 74 SER HB2 H 1 3.727 0.000 . 1 . . . . . 75 SER HB2 . 50167 1 772 . 1 . 1 74 74 SER C C 13 174.628 0.000 . 1 . . . . . 75 SER C . 50167 1 773 . 1 . 1 74 74 SER CA C 13 58.084 0.000 . 1 . . . . . 75 SER CA . 50167 1 774 . 1 . 1 74 74 SER CB C 13 64.177 0.000 . 1 . . . . . 75 SER CB . 50167 1 775 . 1 . 1 74 74 SER N N 15 114.846 0.497 . 1 . . . . . 75 SER N . 50167 1 776 . 1 . 1 75 75 GLY H H 1 8.194 0.000 . 1 . . . . . 76 GLY H . 50167 1 777 . 1 . 1 75 75 GLY C C 13 171.998 0.000 . 1 . . . . . 76 GLY C . 50167 1 778 . 1 . 1 75 75 GLY CA C 13 44.622 0.000 . 1 . . . . . 76 GLY CA . 50167 1 779 . 1 . 1 75 75 GLY N N 15 110.518 0.000 . 1 . . . . . 76 GLY N . 50167 1 780 . 1 . 1 77 77 SER H H 1 8.496 0.000 . 1 . . . . . 78 SER H . 50167 1 781 . 1 . 1 77 77 SER HA H 1 3.872 0.000 . 1 . . . . . 78 SER HA . 50167 1 782 . 1 . 1 77 77 SER CA C 13 58.21 0.000 . 1 . . . . . 78 SER CA . 50167 1 783 . 1 . 1 77 77 SER CB C 13 64.022 0.000 . 1 . . . . . 78 SER CB . 50167 1 784 . 1 . 1 77 77 SER N N 15 119.57 0.140 . 1 . . . . . 78 SER N . 50167 1 785 . 1 . 1 78 78 GLY CA C 13 44.744 0.000 . 1 . . . . . 79 GLY CA . 50167 1 786 . 1 . 1 80 80 SER CA C 13 58.711 0.000 . 1 . . . . . 81 SER CA . 50167 1 787 . 1 . 1 80 80 SER CB C 13 63.947 0.000 . 1 . . . . . 81 SER CB . 50167 1 788 . 1 . 1 81 81 GLY C C 13 174.735 0.000 . 1 . . . . . 82 GLY C . 50167 1 789 . 1 . 1 81 81 GLY CA C 13 45.325 0.000 . 1 . . . . . 82 GLY CA . 50167 1 790 . 1 . 1 82 82 GLY CA C 13 45.928 0.000 . 1 . . . . . 83 GLY CA . 50167 1 791 . 1 . 1 83 83 GLY C C 13 173.584 0.000 . 1 . . . . . 84 GLY C . 50167 1 792 . 1 . 1 83 83 GLY CA C 13 45.102 0.000 . 1 . . . . . 84 GLY CA . 50167 1 793 . 1 . 1 84 84 ALA HB1 H 1 1.291 0.000 . 1 . . . . . 85 ALA HB1 . 50167 1 794 . 1 . 1 84 84 ALA HB2 H 1 1.291 0.000 . 1 . . . . . 85 ALA HB2 . 50167 1 795 . 1 . 1 84 84 ALA HB3 H 1 1.291 0.000 . 1 . . . . . 85 ALA HB3 . 50167 1 796 . 1 . 1 84 84 ALA C C 13 176.548 0.000 . 1 . . . . . 85 ALA C . 50167 1 797 . 1 . 1 84 84 ALA CA C 13 52.159 0.000 . 1 . . . . . 85 ALA CA . 50167 1 798 . 1 . 1 84 84 ALA CB C 13 19.185 0.126 . 1 . . . . . 85 ALA CB . 50167 1 799 . 1 . 1 85 85 ASN H H 1 7.96 0.017 . 1 . . . . . 86 ASN H . 50167 1 800 . 1 . 1 85 85 ASN C C 13 176.36 0.000 . 1 . . . . . 86 ASN C . 50167 1 801 . 1 . 1 85 85 ASN CA C 13 54.935 0.000 . 1 . . . . . 86 ASN CA . 50167 1 802 . 1 . 1 85 85 ASN CB C 13 40.999 0.000 . 1 . . . . . 86 ASN CB . 50167 1 803 . 1 . 1 85 85 ASN N N 15 123.557 0.408 . 1 . . . . . 86 ASN N . 50167 1 804 . 1 . 1 86 86 GLY H H 1 8.214 0.014 . 1 . . . . . 87 GLY H . 50167 1 805 . 1 . 1 86 86 GLY HA2 H 1 4.695 0.000 . 1 . . . . . 87 GLY HA2 . 50167 1 806 . 1 . 1 86 86 GLY C C 13 174.669 0.000 . 1 . . . . . 87 GLY C . 50167 1 807 . 1 . 1 86 86 GLY CA C 13 45.533 0.000 . 1 . . . . . 87 GLY CA . 50167 1 808 . 1 . 1 86 86 GLY N N 15 114.339 0.528 . 1 . . . . . 87 GLY N . 50167 1 809 . 1 . 1 87 87 THR HG21 H 1 1.072 0.000 . 1 . . . . . 88 THR HG21 . 50167 1 810 . 1 . 1 87 87 THR HG22 H 1 1.072 0.000 . 1 . . . . . 88 THR HG22 . 50167 1 811 . 1 . 1 87 87 THR HG23 H 1 1.072 0.000 . 1 . . . . . 88 THR HG23 . 50167 1 812 . 1 . 1 87 87 THR CA C 13 60.275 0.000 . 1 . . . . . 88 THR CA . 50167 1 813 . 1 . 1 87 87 THR CB C 13 70.063 0.000 . 1 . . . . . 88 THR CB . 50167 1 814 . 1 . 1 87 87 THR CG2 C 13 21.344 0.000 . 1 . . . . . 88 THR CG2 . 50167 1 815 . 1 . 1 88 88 SER H H 1 7.961 0.016 . 1 . . . . . 89 SER H . 50167 1 816 . 1 . 1 88 88 SER C C 13 173.806 0.000 . 1 . . . . . 89 SER C . 50167 1 817 . 1 . 1 88 88 SER CA C 13 58.219 0.000 . 1 . . . . . 89 SER CA . 50167 1 818 . 1 . 1 88 88 SER CB C 13 64.805 0.000 . 1 . . . . . 89 SER CB . 50167 1 819 . 1 . 1 88 88 SER N N 15 123.581 0.415 . 1 . . . . . 89 SER N . 50167 1 820 . 1 . 1 89 89 PHE H H 1 8.216 0.027 . 1 . . . . . 90 PHE H . 50167 1 821 . 1 . 1 89 89 PHE HA H 1 4.47 0.000 . 1 . . . . . 90 PHE HA . 50167 1 822 . 1 . 1 89 89 PHE HB2 H 1 2.936 0.000 . 2 . . . . . 90 PHE HB2 . 50167 1 823 . 1 . 1 89 89 PHE HB3 H 1 3.062 0.000 . 2 . . . . . 90 PHE HB3 . 50167 1 824 . 1 . 1 89 89 PHE HD1 H 1 7.189 0.000 . 1 . . . . . 90 PHE HD1 . 50167 1 825 . 1 . 1 89 89 PHE HD2 H 1 7.189 0.000 . 1 . . . . . 90 PHE HD2 . 50167 1 826 . 1 . 1 89 89 PHE HE1 H 1 7.16 0.000 . 1 . . . . . 90 PHE HE1 . 50167 1 827 . 1 . 1 89 89 PHE HE2 H 1 7.16 0.000 . 1 . . . . . 90 PHE HE2 . 50167 1 828 . 1 . 1 89 89 PHE C C 13 174.854 0.000 . 1 . . . . . 90 PHE C . 50167 1 829 . 1 . 1 89 89 PHE CA C 13 58.219 0.000 . 1 . . . . . 90 PHE CA . 50167 1 830 . 1 . 1 89 89 PHE CB C 13 39.877 0.250 . 1 . . . . . 90 PHE CB . 50167 1 831 . 1 . 1 89 89 PHE CD1 C 13 132.075 0.000 . 1 . . . . . 90 PHE CD . 50167 1 832 . 1 . 1 89 89 PHE CD2 C 13 132.075 0.000 . 1 . . . . . 90 PHE CD . 50167 1 833 . 1 . 1 89 89 PHE CE1 C 13 129.346 0.000 . 1 . . . . . 90 PHE CE . 50167 1 834 . 1 . 1 89 89 PHE CE2 C 13 129.346 0.000 . 1 . . . . . 90 PHE CE . 50167 1 835 . 1 . 1 89 89 PHE N N 15 123.01 0.703 . 1 . . . . . 90 PHE N . 50167 1 836 . 1 . 1 90 90 SER H H 1 8.016 0.028 . 1 . . . . . 91 SER H . 50167 1 837 . 1 . 1 90 90 SER HA H 1 4.226 0.000 . 1 . . . . . 91 SER HA . 50167 1 838 . 1 . 1 90 90 SER HB2 H 1 3.58 0.000 . 2 . . . . . 91 SER HB2 . 50167 1 839 . 1 . 1 90 90 SER HB3 H 1 3.717 0.093 . 2 . . . . . 91 SER HB3 . 50167 1 840 . 1 . 1 90 90 SER C C 13 173.456 0.000 . 1 . . . . . 91 SER C . 50167 1 841 . 1 . 1 90 90 SER CA C 13 57.69 0.000 . 1 . . . . . 91 SER CA . 50167 1 842 . 1 . 1 90 90 SER CB C 13 63.65 0.079 . 1 . . . . . 91 SER CB . 50167 1 843 . 1 . 1 90 90 SER N N 15 117.069 0.683 . 1 . . . . . 91 SER N . 50167 1 844 . 1 . 1 91 91 TYR H H 1 8.312 0.022 . 1 . . . . . 92 TYR H . 50167 1 845 . 1 . 1 91 91 TYR HA H 1 4.426 0.000 . 1 . . . . . 92 TYR HA . 50167 1 846 . 1 . 1 91 91 TYR HB2 H 1 2.948 0.000 . 2 . . . . . 92 TYR HB2 . 50167 1 847 . 1 . 1 91 91 TYR HB3 H 1 2.523 0.000 . 2 . . . . . 92 TYR HB3 . 50167 1 848 . 1 . 1 91 91 TYR HD1 H 1 6.816 0.000 . 1 . . . . . 92 TYR HD1 . 50167 1 849 . 1 . 1 91 91 TYR HD2 H 1 6.816 0.000 . 1 . . . . . 92 TYR HD2 . 50167 1 850 . 1 . 1 91 91 TYR HE1 H 1 6.566 0.000 . 1 . . . . . 92 TYR HE1 . 50167 1 851 . 1 . 1 91 91 TYR HE2 H 1 6.566 0.000 . 1 . . . . . 92 TYR HE2 . 50167 1 852 . 1 . 1 91 91 TYR C C 13 174.802 0.000 . 1 . . . . . 92 TYR C . 50167 1 853 . 1 . 1 91 91 TYR CA C 13 59.057 0.074 . 1 . . . . . 92 TYR CA . 50167 1 854 . 1 . 1 91 91 TYR CB C 13 40.408 0.007 . 1 . . . . . 92 TYR CB . 50167 1 855 . 1 . 1 91 91 TYR CD1 C 13 132.458 0.000 . 1 . . . . . 92 TYR CD . 50167 1 856 . 1 . 1 91 91 TYR CD2 C 13 132.458 0.000 . 1 . . . . . 92 TYR CD . 50167 1 857 . 1 . 1 91 91 TYR CE1 C 13 118.103 0.000 . 1 . . . . . 92 TYR CE . 50167 1 858 . 1 . 1 91 91 TYR CE2 C 13 118.103 0.000 . 1 . . . . . 92 TYR CE . 50167 1 859 . 1 . 1 91 91 TYR N N 15 124.255 0.643 . 1 . . . . . 92 TYR N . 50167 1 860 . 1 . 1 92 92 THR H H 1 7.222 0.017 . 1 . . . . . 93 THR H . 50167 1 861 . 1 . 1 92 92 THR HA H 1 3.747 0.090 . 1 . . . . . 93 THR HA . 50167 1 862 . 1 . 1 92 92 THR HB H 1 3.597 0.088 . 1 . . . . . 93 THR HB . 50167 1 863 . 1 . 1 92 92 THR HG21 H 1 0.876 0.095 . 1 . . . . . 93 THR HG21 . 50167 1 864 . 1 . 1 92 92 THR HG22 H 1 0.876 0.095 . 1 . . . . . 93 THR HG22 . 50167 1 865 . 1 . 1 92 92 THR HG23 H 1 0.876 0.095 . 1 . . . . . 93 THR HG23 . 50167 1 866 . 1 . 1 92 92 THR C C 13 171.624 0.000 . 1 . . . . . 93 THR C . 50167 1 867 . 1 . 1 92 92 THR CA C 13 61.14 0.000 . 1 . . . . . 93 THR CA . 50167 1 868 . 1 . 1 92 92 THR CB C 13 71.234 0.129 . 1 . . . . . 93 THR CB . 50167 1 869 . 1 . 1 92 92 THR CG2 C 13 20.986 0.013 . 1 . . . . . 93 THR CG2 . 50167 1 870 . 1 . 1 92 92 THR N N 15 122.123 0.549 . 1 . . . . . 93 THR N . 50167 1 871 . 1 . 1 93 93 PHE H H 1 8.448 0.018 . 1 . . . . . 94 PHE H . 50167 1 872 . 1 . 1 93 93 PHE HD1 H 1 7.308 0.000 . 1 . . . . . 94 PHE HD1 . 50167 1 873 . 1 . 1 93 93 PHE HD2 H 1 7.308 0.000 . 1 . . . . . 94 PHE HD2 . 50167 1 874 . 1 . 1 93 93 PHE HE1 H 1 6.998 0.000 . 1 . . . . . 94 PHE HE1 . 50167 1 875 . 1 . 1 93 93 PHE HE2 H 1 6.998 0.000 . 1 . . . . . 94 PHE HE2 . 50167 1 876 . 1 . 1 93 93 PHE C C 13 175.185 0.000 . 1 . . . . . 94 PHE C . 50167 1 877 . 1 . 1 93 93 PHE CA C 13 57.644 0.000 . 1 . . . . . 94 PHE CA . 50167 1 878 . 1 . 1 93 93 PHE CB C 13 38.452 0.000 . 1 . . . . . 94 PHE CB . 50167 1 879 . 1 . 1 93 93 PHE CD1 C 13 133.224 0.000 . 1 . . . . . 94 PHE CD . 50167 1 880 . 1 . 1 93 93 PHE CD2 C 13 133.224 0.000 . 1 . . . . . 94 PHE CD . 50167 1 881 . 1 . 1 93 93 PHE CE1 C 13 132.141 0.000 . 1 . . . . . 94 PHE CE . 50167 1 882 . 1 . 1 93 93 PHE CE2 C 13 132.141 0.000 . 1 . . . . . 94 PHE CE . 50167 1 883 . 1 . 1 93 93 PHE N N 15 125.544 0.575 . 1 . . . . . 94 PHE N . 50167 1 884 . 1 . 1 94 94 HIS HD1 H 1 6.964 0.000 . 1 . . . . . 95 HIS HD1 . 50167 1 885 . 1 . 1 94 94 HIS CD2 C 13 120.276 0.000 . 1 . . . . . 95 HIS CD2 . 50167 1 886 . 1 . 1 94 94 HIS CE1 C 13 137.651 0.000 . 1 . . . . . 95 HIS CE1 . 50167 1 887 . 1 . 1 95 95 GLY H H 1 7.921 0.025 . 1 . . . . . 96 GLY H . 50167 1 888 . 1 . 1 95 95 GLY HA2 H 1 3.802 0.000 . 1 . . . . . 96 GLY HA2 . 50167 1 889 . 1 . 1 95 95 GLY C C 13 174.489 0.000 . 1 . . . . . 96 GLY C . 50167 1 890 . 1 . 1 95 95 GLY CA C 13 45.991 0.000 . 1 . . . . . 96 GLY CA . 50167 1 891 . 1 . 1 95 95 GLY N N 15 110.145 1.303 . 1 . . . . . 96 GLY N . 50167 1 892 . 1 . 1 97 97 PRO C C 13 179.107 0.000 . 1 . . . . . 98 PRO C . 50167 1 893 . 1 . 1 97 97 PRO CA C 13 64.917 0.000 . 1 . . . . . 98 PRO CA . 50167 1 894 . 1 . 1 97 97 PRO CB C 13 33.102 0.000 . 1 . . . . . 98 PRO CB . 50167 1 895 . 1 . 1 98 98 HIS H H 1 8.296 0.033 . 1 . . . . . 99 HIS H . 50167 1 896 . 1 . 1 98 98 HIS HA H 1 4.35 0.000 . 1 . . . . . 99 HIS HA . 50167 1 897 . 1 . 1 98 98 HIS HB2 H 1 3.146 0.000 . 2 . . . . . 99 HIS HB2 . 50167 1 898 . 1 . 1 98 98 HIS HB3 H 1 3.302 0.000 . 2 . . . . . 99 HIS HB3 . 50167 1 899 . 1 . 1 98 98 HIS HD1 H 1 7.05 0.000 . 1 . . . . . 99 HIS HD1 . 50167 1 900 . 1 . 1 98 98 HIS C C 13 175.809 0.000 . 1 . . . . . 99 HIS C . 50167 1 901 . 1 . 1 98 98 HIS CA C 13 61.124 0.000 . 1 . . . . . 99 HIS CA . 50167 1 902 . 1 . 1 98 98 HIS CB C 13 30.185 0.000 . 1 . . . . . 99 HIS CB . 50167 1 903 . 1 . 1 98 98 HIS CD2 C 13 118.524 0.000 . 1 . . . . . 99 HIS CD2 . 50167 1 904 . 1 . 1 98 98 HIS CE1 C 13 138.842 0.000 . 1 . . . . . 99 HIS CE1 . 50167 1 905 . 1 . 1 98 98 HIS N N 15 119.43 0.621 . 1 . . . . . 99 HIS N . 50167 1 906 . 1 . 1 99 99 ALA H H 1 7.824 0.016 . 1 . . . . . 100 ALA H . 50167 1 907 . 1 . 1 99 99 ALA HA H 1 4.259 0.000 . 1 . . . . . 100 ALA HA . 50167 1 908 . 1 . 1 99 99 ALA HB1 H 1 1.502 0.000 . 1 . . . . . 100 ALA HB1 . 50167 1 909 . 1 . 1 99 99 ALA HB2 H 1 1.502 0.000 . 1 . . . . . 100 ALA HB2 . 50167 1 910 . 1 . 1 99 99 ALA HB3 H 1 1.502 0.000 . 1 . . . . . 100 ALA HB3 . 50167 1 911 . 1 . 1 99 99 ALA C C 13 180.845 0.000 . 1 . . . . . 100 ALA C . 50167 1 912 . 1 . 1 99 99 ALA CA C 13 55.209 0.171 . 1 . . . . . 100 ALA CA . 50167 1 913 . 1 . 1 99 99 ALA CB C 13 18.092 0.000 . 1 . . . . . 100 ALA CB . 50167 1 914 . 1 . 1 99 99 ALA N N 15 127.117 1.126 . 1 . . . . . 100 ALA N . 50167 1 915 . 1 . 1 100 100 MET H H 1 8.377 0.025 . 1 . . . . . 101 MET H . 50167 1 916 . 1 . 1 100 100 MET HA H 1 3.976 0.000 . 1 . . . . . 101 MET HA . 50167 1 917 . 1 . 1 100 100 MET HB2 H 1 2.349 0.000 . 1 . . . . . 101 MET HB2 . 50167 1 918 . 1 . 1 100 100 MET HG2 H 1 2.62 0.000 . 1 . . . . . 101 MET HG2 . 50167 1 919 . 1 . 1 100 100 MET HE1 H 1 1.935 0.000 . 1 . . . . . 101 MET HE1 . 50167 1 920 . 1 . 1 100 100 MET HE2 H 1 1.935 0.000 . 1 . . . . . 101 MET HE2 . 50167 1 921 . 1 . 1 100 100 MET HE3 H 1 1.935 0.000 . 1 . . . . . 101 MET HE3 . 50167 1 922 . 1 . 1 100 100 MET C C 13 177.602 0.000 . 1 . . . . . 101 MET C . 50167 1 923 . 1 . 1 100 100 MET CA C 13 59.39 0.031 . 1 . . . . . 101 MET CA . 50167 1 924 . 1 . 1 100 100 MET CB C 13 33.837 0.016 . 1 . . . . . 101 MET CB . 50167 1 925 . 1 . 1 100 100 MET CG C 13 31.51 0.000 . 1 . . . . . 101 MET CG . 50167 1 926 . 1 . 1 100 100 MET CE C 13 15.585 0.000 . 1 . . . . . 101 MET CE . 50167 1 927 . 1 . 1 100 100 MET N N 15 118.502 0.593 . 1 . . . . . 101 MET N . 50167 1 928 . 1 . 1 101 101 PHE H H 1 7.644 0.027 . 1 . . . . . 102 PHE H . 50167 1 929 . 1 . 1 101 101 PHE HA H 1 4.391 0.000 . 1 . . . . . 102 PHE HA . 50167 1 930 . 1 . 1 101 101 PHE HB2 H 1 3.382 0.000 . 2 . . . . . 102 PHE HB2 . 50167 1 931 . 1 . 1 101 101 PHE HB3 H 1 3.481 0.000 . 2 . . . . . 102 PHE HB3 . 50167 1 932 . 1 . 1 101 101 PHE HD1 H 1 7.233 0.000 . 1 . . . . . 102 PHE HD1 . 50167 1 933 . 1 . 1 101 101 PHE HD2 H 1 7.233 0.000 . 1 . . . . . 102 PHE HD2 . 50167 1 934 . 1 . 1 101 101 PHE HE1 H 1 6.871 0.000 . 1 . . . . . 102 PHE HE1 . 50167 1 935 . 1 . 1 101 101 PHE HE2 H 1 6.871 0.000 . 1 . . . . . 102 PHE HE2 . 50167 1 936 . 1 . 1 101 101 PHE C C 13 177.194 0.000 . 1 . . . . . 102 PHE C . 50167 1 937 . 1 . 1 101 101 PHE CA C 13 61.775 0.000 . 1 . . . . . 102 PHE CA . 50167 1 938 . 1 . 1 101 101 PHE CB C 13 39.696 0.000 . 1 . . . . . 102 PHE CB . 50167 1 939 . 1 . 1 101 101 PHE CD1 C 13 132.122 0.000 . 1 . . . . . 102 PHE CD . 50167 1 940 . 1 . 1 101 101 PHE CD2 C 13 132.122 0.000 . 1 . . . . . 102 PHE CD . 50167 1 941 . 1 . 1 101 101 PHE CE1 C 13 131.406 0.000 . 1 . . . . . 102 PHE CE . 50167 1 942 . 1 . 1 101 101 PHE CE2 C 13 131.406 0.000 . 1 . . . . . 102 PHE CE . 50167 1 943 . 1 . 1 101 101 PHE N N 15 119.93 0.500 . 1 . . . . . 102 PHE N . 50167 1 944 . 1 . 1 102 102 ALA H H 1 7.83 0.026 . 1 . . . . . 103 ALA H . 50167 1 945 . 1 . 1 102 102 ALA HA H 1 4.242 0.110 . 1 . . . . . 103 ALA HA . 50167 1 946 . 1 . 1 102 102 ALA HB1 H 1 1.635 0.088 . 1 . . . . . 103 ALA HB1 . 50167 1 947 . 1 . 1 102 102 ALA HB2 H 1 1.635 0.088 . 1 . . . . . 103 ALA HB2 . 50167 1 948 . 1 . 1 102 102 ALA HB3 H 1 1.635 0.088 . 1 . . . . . 103 ALA HB3 . 50167 1 949 . 1 . 1 102 102 ALA C C 13 180.733 0.077 . 1 . . . . . 103 ALA C . 50167 1 950 . 1 . 1 102 102 ALA CA C 13 54.907 0.000 . 1 . . . . . 103 ALA CA . 50167 1 951 . 1 . 1 102 102 ALA CB C 13 18.065 0.009 . 1 . . . . . 103 ALA CB . 50167 1 952 . 1 . 1 102 102 ALA N N 15 121.035 1.072 . 1 . . . . . 103 ALA N . 50167 1 953 . 1 . 1 103 103 GLU H H 1 8.034 0.018 . 1 . . . . . 104 GLU H . 50167 1 954 . 1 . 1 103 103 GLU HA H 1 3.898 0.000 . 1 . . . . . 104 GLU HA . 50167 1 955 . 1 . 1 103 103 GLU HB2 H 1 1.98 0.000 . 2 . . . . . 104 GLU HB2 . 50167 1 956 . 1 . 1 103 103 GLU HB3 H 1 2.126 0.000 . 2 . . . . . 104 GLU HB3 . 50167 1 957 . 1 . 1 103 103 GLU HG2 H 1 2.304 0.000 . 2 . . . . . 104 GLU HG2 . 50167 1 958 . 1 . 1 103 103 GLU HG3 H 1 2.186 0.000 . 2 . . . . . 104 GLU HG3 . 50167 1 959 . 1 . 1 103 103 GLU C C 13 178.487 0.000 . 1 . . . . . 104 GLU C . 50167 1 960 . 1 . 1 103 103 GLU CA C 13 59.059 0.000 . 1 . . . . . 104 GLU CA . 50167 1 961 . 1 . 1 103 103 GLU CB C 13 29.357 0.000 . 1 . . . . . 104 GLU CB . 50167 1 962 . 1 . 1 103 103 GLU CG C 13 35.852 0.000 . 1 . . . . . 104 GLU CG . 50167 1 963 . 1 . 1 103 103 GLU N N 15 120.144 0.000 . 1 . . . . . 104 GLU N . 50167 1 964 . 1 . 1 104 104 PHE H H 1 8.026 0.028 . 1 . . . . . 105 PHE H . 50167 1 965 . 1 . 1 104 104 PHE HA H 1 4.094 0.000 . 1 . . . . . 105 PHE HA . 50167 1 966 . 1 . 1 104 104 PHE HB2 H 1 2.601 0.000 . 2 . . . . . 105 PHE HB2 . 50167 1 967 . 1 . 1 104 104 PHE HB3 H 1 2.708 0.000 . 2 . . . . . 105 PHE HB3 . 50167 1 968 . 1 . 1 104 104 PHE HD1 H 1 6.727 0.000 . 1 . . . . . 105 PHE HD1 . 50167 1 969 . 1 . 1 104 104 PHE HD2 H 1 6.727 0.000 . 1 . . . . . 105 PHE HD2 . 50167 1 970 . 1 . 1 104 104 PHE HE1 H 1 6.961 0.000 . 1 . . . . . 105 PHE HE1 . 50167 1 971 . 1 . 1 104 104 PHE HE2 H 1 6.961 0.000 . 1 . . . . . 105 PHE HE2 . 50167 1 972 . 1 . 1 104 104 PHE C C 13 177.523 0.000 . 1 . . . . . 105 PHE C . 50167 1 973 . 1 . 1 104 104 PHE CA C 13 60.621 0.000 . 1 . . . . . 105 PHE CA . 50167 1 974 . 1 . 1 104 104 PHE CB C 13 39.448 0.000 . 1 . . . . . 105 PHE CB . 50167 1 975 . 1 . 1 104 104 PHE CD1 C 13 132.015 0.000 . 1 . . . . . 105 PHE CD . 50167 1 976 . 1 . 1 104 104 PHE CD2 C 13 132.015 0.000 . 1 . . . . . 105 PHE CD . 50167 1 977 . 1 . 1 104 104 PHE CE1 C 13 130.674 0.000 . 1 . . . . . 105 PHE CE . 50167 1 978 . 1 . 1 104 104 PHE CE2 C 13 130.674 0.000 . 1 . . . . . 105 PHE CE . 50167 1 979 . 1 . 1 104 104 PHE N N 15 118.751 0.618 . 1 . . . . . 105 PHE N . 50167 1 980 . 1 . 1 105 105 PHE H H 1 8.296 0.016 . 1 . . . . . 106 PHE H . 50167 1 981 . 1 . 1 105 105 PHE HA H 1 4.539 0.000 . 1 . . . . . 106 PHE HA . 50167 1 982 . 1 . 1 105 105 PHE HB2 H 1 2.244 0.000 . 2 . . . . . 106 PHE HB2 . 50167 1 983 . 1 . 1 105 105 PHE HB3 H 1 2.848 0.000 . 2 . . . . . 106 PHE HB3 . 50167 1 984 . 1 . 1 105 105 PHE HD1 H 1 6.844 0.000 . 1 . . . . . 106 PHE HD1 . 50167 1 985 . 1 . 1 105 105 PHE HD2 H 1 6.844 0.000 . 1 . . . . . 106 PHE HD2 . 50167 1 986 . 1 . 1 105 105 PHE HE1 H 1 6.844 0.000 . 1 . . . . . 106 PHE HE1 . 50167 1 987 . 1 . 1 105 105 PHE HE2 H 1 6.844 0.000 . 1 . . . . . 106 PHE HE2 . 50167 1 988 . 1 . 1 105 105 PHE C C 13 176.785 0.000 . 1 . . . . . 106 PHE C . 50167 1 989 . 1 . 1 105 105 PHE CA C 13 58.898 0.000 . 1 . . . . . 106 PHE CA . 50167 1 990 . 1 . 1 105 105 PHE CB C 13 39.316 0.000 . 1 . . . . . 106 PHE CB . 50167 1 991 . 1 . 1 105 105 PHE CD1 C 13 131.975 0.000 . 1 . . . . . 106 PHE CD . 50167 1 992 . 1 . 1 105 105 PHE CD2 C 13 131.975 0.000 . 1 . . . . . 106 PHE CD . 50167 1 993 . 1 . 1 105 105 PHE CE1 C 13 131.027 0.000 . 1 . . . . . 106 PHE CE . 50167 1 994 . 1 . 1 105 105 PHE CE2 C 13 131.027 0.000 . 1 . . . . . 106 PHE CE . 50167 1 995 . 1 . 1 105 105 PHE N N 15 116.715 0.597 . 1 . . . . . 106 PHE N . 50167 1 996 . 1 . 1 106 106 GLY H H 1 7.786 0.027 . 1 . . . . . 107 GLY H . 50167 1 997 . 1 . 1 106 106 GLY HA2 H 1 3.946 0.000 . 1 . . . . . 107 GLY HA2 . 50167 1 998 . 1 . 1 106 106 GLY C C 13 174.571 0.000 . 1 . . . . . 107 GLY C . 50167 1 999 . 1 . 1 106 106 GLY CA C 13 45.949 0.000 . 1 . . . . . 107 GLY CA . 50167 1 1000 . 1 . 1 106 106 GLY N N 15 109.159 0.811 . 1 . . . . . 107 GLY N . 50167 1 1001 . 1 . 1 107 107 GLY H H 1 8.042 0.015 . 1 . . . . . 108 GLY H . 50167 1 1002 . 1 . 1 107 107 GLY HA2 H 1 4.713 0.000 . 1 . . . . . 108 GLY HA2 . 50167 1 1003 . 1 . 1 107 107 GLY C C 13 174.014 0.000 . 1 . . . . . 108 GLY C . 50167 1 1004 . 1 . 1 107 107 GLY CA C 13 45.551 0.057 . 1 . . . . . 108 GLY CA . 50167 1 1005 . 1 . 1 107 107 GLY N N 15 108.469 0.665 . 1 . . . . . 108 GLY N . 50167 1 1006 . 1 . 1 108 108 ARG H H 1 8.107 0.021 . 1 . . . . . 109 ARG H . 50167 1 1007 . 1 . 1 108 108 ARG HA H 1 4.279 0.000 . 1 . . . . . 109 ARG HA . 50167 1 1008 . 1 . 1 108 108 ARG HB2 H 1 1.781 0.000 . 1 . . . . . 109 ARG HB2 . 50167 1 1009 . 1 . 1 108 108 ARG HG2 H 1 1.617 0.000 . 2 . . . . . 109 ARG HG2 . 50167 1 1010 . 1 . 1 108 108 ARG HG3 H 1 1.504 0.000 . 2 . . . . . 109 ARG HG3 . 50167 1 1011 . 1 . 1 108 108 ARG HD2 H 1 3.058 0.000 . 1 . . . . . 109 ARG HD2 . 50167 1 1012 . 1 . 1 108 108 ARG C C 13 175.247 0.000 . 1 . . . . . 109 ARG C . 50167 1 1013 . 1 . 1 108 108 ARG CA C 13 55.798 0.000 . 1 . . . . . 109 ARG CA . 50167 1 1014 . 1 . 1 108 108 ARG CB C 13 30.599 0.000 . 1 . . . . . 109 ARG CB . 50167 1 1015 . 1 . 1 108 108 ARG CG C 13 27.038 0.000 . 1 . . . . . 109 ARG CG . 50167 1 1016 . 1 . 1 108 108 ARG CD C 13 43.494 0.000 . 1 . . . . . 109 ARG CD . 50167 1 1017 . 1 . 1 108 108 ARG N N 15 120.501 0.467 . 1 . . . . . 109 ARG N . 50167 1 1018 . 1 . 1 109 109 ASN H H 1 7.968 0.024 . 1 . . . . . 110 ASN H . 50167 1 1019 . 1 . 1 109 109 ASN C C 13 179.382 0.000 . 1 . . . . . 110 ASN C . 50167 1 1020 . 1 . 1 109 109 ASN CA C 13 55.097 0.000 . 1 . . . . . 110 ASN CA . 50167 1 1021 . 1 . 1 109 109 ASN CB C 13 40.409 0.000 . 1 . . . . . 110 ASN CB . 50167 1 1022 . 1 . 1 109 109 ASN N N 15 125.116 0.504 . 1 . . . . . 110 ASN N . 50167 1 stop_ save_