data_30348 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30348 _Entry.Title ; Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-22 _Entry.Accession_date 2017-09-22 _Entry.Last_release_date 2017-11-01 _Entry.Original_release_date 2017-11-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _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 . 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 D. Valleau D. . . . 30348 2 S. Houliston S. . . . 30348 3 A. Lemak A. . . . 30348 4 W. Anderson W. F. . . 30348 5 C. Arrowsmith C. . . . 30348 6 A. Savchenko A. . . . 30348 7 CSGID 'Center for Structural Genomics of Infectious Diseases (CSGID)' . . . . 30348 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'NIAID, National Institute of Allergy and Infectious Diseases' 'Center for Structural Genomics of Infectious Diseases' CSGID 30348 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Binding domain' . 30348 CSGID . 30348 'Center for Structural Genomics of Infectious Diseases' . 30348 'Effector protein' . 30348 Pathogenesis . 30348 'Structural Genomics' . 30348 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30348 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 30348 '15N chemical shifts' 97 30348 '1H chemical shifts' 717 30348 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-11-13 . original BMRB . 30348 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6B3N 'BMRB Entry Tracking System' 30348 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30348 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Valleau D. . . . 30348 1 2 A. Savchenko A. . . . 30348 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30348 _Assembly.ID 1 _Assembly.Name NleG5-1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30348 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30348 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGRENLYFQ GMPVDLTPYILPGVSFLSDI PQETLSEIRNQTIRGEAQIR LGELMVSIRPMQVNGYFMGS LNQDGLSNDNIQIGLQYIEH IERTLNHGSLTSREVTVLRE IEMLENMDLLSNYQLEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15676.563 _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 -20 MET . 30348 1 2 -19 GLY . 30348 1 3 -18 SER . 30348 1 4 -17 SER . 30348 1 5 -16 HIS . 30348 1 6 -15 HIS . 30348 1 7 -14 HIS . 30348 1 8 -13 HIS . 30348 1 9 -12 HIS . 30348 1 10 -11 HIS . 30348 1 11 -10 SER . 30348 1 12 -9 SER . 30348 1 13 -8 GLY . 30348 1 14 -7 ARG . 30348 1 15 -6 GLU . 30348 1 16 -5 ASN . 30348 1 17 -4 LEU . 30348 1 18 -3 TYR . 30348 1 19 -2 PHE . 30348 1 20 -1 GLN . 30348 1 21 0 GLY . 30348 1 22 1 MET . 30348 1 23 2 PRO . 30348 1 24 3 VAL . 30348 1 25 4 ASP . 30348 1 26 5 LEU . 30348 1 27 6 THR . 30348 1 28 7 PRO . 30348 1 29 8 TYR . 30348 1 30 9 ILE . 30348 1 31 10 LEU . 30348 1 32 11 PRO . 30348 1 33 12 GLY . 30348 1 34 13 VAL . 30348 1 35 14 SER . 30348 1 36 15 PHE . 30348 1 37 16 LEU . 30348 1 38 17 SER . 30348 1 39 18 ASP . 30348 1 40 19 ILE . 30348 1 41 20 PRO . 30348 1 42 21 GLN . 30348 1 43 22 GLU . 30348 1 44 23 THR . 30348 1 45 24 LEU . 30348 1 46 25 SER . 30348 1 47 26 GLU . 30348 1 48 27 ILE . 30348 1 49 28 ARG . 30348 1 50 29 ASN . 30348 1 51 30 GLN . 30348 1 52 31 THR . 30348 1 53 32 ILE . 30348 1 54 33 ARG . 30348 1 55 34 GLY . 30348 1 56 35 GLU . 30348 1 57 36 ALA . 30348 1 58 37 GLN . 30348 1 59 38 ILE . 30348 1 60 39 ARG . 30348 1 61 40 LEU . 30348 1 62 41 GLY . 30348 1 63 42 GLU . 30348 1 64 43 LEU . 30348 1 65 44 MET . 30348 1 66 45 VAL . 30348 1 67 46 SER . 30348 1 68 47 ILE . 30348 1 69 48 ARG . 30348 1 70 49 PRO . 30348 1 71 50 MET . 30348 1 72 51 GLN . 30348 1 73 52 VAL . 30348 1 74 53 ASN . 30348 1 75 54 GLY . 30348 1 76 55 TYR . 30348 1 77 56 PHE . 30348 1 78 57 MET . 30348 1 79 58 GLY . 30348 1 80 59 SER . 30348 1 81 60 LEU . 30348 1 82 61 ASN . 30348 1 83 62 GLN . 30348 1 84 63 ASP . 30348 1 85 64 GLY . 30348 1 86 65 LEU . 30348 1 87 66 SER . 30348 1 88 67 ASN . 30348 1 89 68 ASP . 30348 1 90 69 ASN . 30348 1 91 70 ILE . 30348 1 92 71 GLN . 30348 1 93 72 ILE . 30348 1 94 73 GLY . 30348 1 95 74 LEU . 30348 1 96 75 GLN . 30348 1 97 76 TYR . 30348 1 98 77 ILE . 30348 1 99 78 GLU . 30348 1 100 79 HIS . 30348 1 101 80 ILE . 30348 1 102 81 GLU . 30348 1 103 82 ARG . 30348 1 104 83 THR . 30348 1 105 84 LEU . 30348 1 106 85 ASN . 30348 1 107 86 HIS . 30348 1 108 87 GLY . 30348 1 109 88 SER . 30348 1 110 89 LEU . 30348 1 111 90 THR . 30348 1 112 91 SER . 30348 1 113 92 ARG . 30348 1 114 93 GLU . 30348 1 115 94 VAL . 30348 1 116 95 THR . 30348 1 117 96 VAL . 30348 1 118 97 LEU . 30348 1 119 98 ARG . 30348 1 120 99 GLU . 30348 1 121 100 ILE . 30348 1 122 101 GLU . 30348 1 123 102 MET . 30348 1 124 103 LEU . 30348 1 125 104 GLU . 30348 1 126 105 ASN . 30348 1 127 106 MET . 30348 1 128 107 ASP . 30348 1 129 108 LEU . 30348 1 130 109 LEU . 30348 1 131 110 SER . 30348 1 132 111 ASN . 30348 1 133 112 TYR . 30348 1 134 113 GLN . 30348 1 135 114 LEU . 30348 1 136 115 GLU . 30348 1 137 116 GLU . 30348 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30348 1 . GLY 2 2 30348 1 . SER 3 3 30348 1 . SER 4 4 30348 1 . HIS 5 5 30348 1 . HIS 6 6 30348 1 . HIS 7 7 30348 1 . HIS 8 8 30348 1 . HIS 9 9 30348 1 . HIS 10 10 30348 1 . SER 11 11 30348 1 . SER 12 12 30348 1 . GLY 13 13 30348 1 . ARG 14 14 30348 1 . GLU 15 15 30348 1 . ASN 16 16 30348 1 . LEU 17 17 30348 1 . TYR 18 18 30348 1 . PHE 19 19 30348 1 . GLN 20 20 30348 1 . GLY 21 21 30348 1 . MET 22 22 30348 1 . PRO 23 23 30348 1 . VAL 24 24 30348 1 . ASP 25 25 30348 1 . LEU 26 26 30348 1 . THR 27 27 30348 1 . PRO 28 28 30348 1 . TYR 29 29 30348 1 . ILE 30 30 30348 1 . LEU 31 31 30348 1 . PRO 32 32 30348 1 . GLY 33 33 30348 1 . VAL 34 34 30348 1 . SER 35 35 30348 1 . PHE 36 36 30348 1 . LEU 37 37 30348 1 . SER 38 38 30348 1 . ASP 39 39 30348 1 . ILE 40 40 30348 1 . PRO 41 41 30348 1 . GLN 42 42 30348 1 . GLU 43 43 30348 1 . THR 44 44 30348 1 . LEU 45 45 30348 1 . SER 46 46 30348 1 . GLU 47 47 30348 1 . ILE 48 48 30348 1 . ARG 49 49 30348 1 . ASN 50 50 30348 1 . GLN 51 51 30348 1 . THR 52 52 30348 1 . ILE 53 53 30348 1 . ARG 54 54 30348 1 . GLY 55 55 30348 1 . GLU 56 56 30348 1 . ALA 57 57 30348 1 . GLN 58 58 30348 1 . ILE 59 59 30348 1 . ARG 60 60 30348 1 . LEU 61 61 30348 1 . GLY 62 62 30348 1 . GLU 63 63 30348 1 . LEU 64 64 30348 1 . MET 65 65 30348 1 . VAL 66 66 30348 1 . SER 67 67 30348 1 . ILE 68 68 30348 1 . ARG 69 69 30348 1 . PRO 70 70 30348 1 . MET 71 71 30348 1 . GLN 72 72 30348 1 . VAL 73 73 30348 1 . ASN 74 74 30348 1 . GLY 75 75 30348 1 . TYR 76 76 30348 1 . PHE 77 77 30348 1 . MET 78 78 30348 1 . GLY 79 79 30348 1 . SER 80 80 30348 1 . LEU 81 81 30348 1 . ASN 82 82 30348 1 . GLN 83 83 30348 1 . ASP 84 84 30348 1 . GLY 85 85 30348 1 . LEU 86 86 30348 1 . SER 87 87 30348 1 . ASN 88 88 30348 1 . ASP 89 89 30348 1 . ASN 90 90 30348 1 . ILE 91 91 30348 1 . GLN 92 92 30348 1 . ILE 93 93 30348 1 . GLY 94 94 30348 1 . LEU 95 95 30348 1 . GLN 96 96 30348 1 . TYR 97 97 30348 1 . ILE 98 98 30348 1 . GLU 99 99 30348 1 . HIS 100 100 30348 1 . ILE 101 101 30348 1 . GLU 102 102 30348 1 . ARG 103 103 30348 1 . THR 104 104 30348 1 . LEU 105 105 30348 1 . ASN 106 106 30348 1 . HIS 107 107 30348 1 . GLY 108 108 30348 1 . SER 109 109 30348 1 . LEU 110 110 30348 1 . THR 111 111 30348 1 . SER 112 112 30348 1 . ARG 113 113 30348 1 . GLU 114 114 30348 1 . VAL 115 115 30348 1 . THR 116 116 30348 1 . VAL 117 117 30348 1 . LEU 118 118 30348 1 . ARG 119 119 30348 1 . GLU 120 120 30348 1 . ILE 121 121 30348 1 . GLU 122 122 30348 1 . MET 123 123 30348 1 . LEU 124 124 30348 1 . GLU 125 125 30348 1 . ASN 126 126 30348 1 . MET 127 127 30348 1 . ASP 128 128 30348 1 . LEU 129 129 30348 1 . LEU 130 130 30348 1 . SER 131 131 30348 1 . ASN 132 132 30348 1 . TYR 133 133 30348 1 . GLN 134 134 30348 1 . LEU 135 135 30348 1 . GLU 136 136 30348 1 . GLU 137 137 30348 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30348 _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 . 83334 organism . 'Escherichia coli O157:H7' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . 'ECs1996, Z2337' . 30348 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30348 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30348 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30348 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400 uM [U-100% 13C; U-100% 15N] NleG5-1, 15 mM HEPES, 250 mM sodium chloride, 5 mM L-arginine, 5 mM sodium citrate, 1 mM benzamidine, 10 uM DTT, 0.01 % w/v sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DTT 'natural abundance' . . . . . . 10 . . uM . . . . 30348 1 2 HEPES 'natural abundance' . . . . . . 15 . . mM . . . . 30348 1 3 L-arginine 'natural abundance' . . . . . . 5 . . mM . . . . 30348 1 4 NleG5-1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 30348 1 5 benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 30348 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 30348 1 7 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 30348 1 8 'sodium citrate' 'natural abundance' . . . . . . 5 . . mM . . . . 30348 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30348 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 400 . mM 30348 1 pH 7.5 . pH 30348 1 pressure 1 . atm 30348 1 temperature 303 . K 30348 1 stop_ save_ ############################ # Computer software used # ############################ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30348 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30348 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30348 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30348 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30348 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30348 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30348 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30348 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30348 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30348 _Software.ID 5 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30348 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30348 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30348 _Software.ID 6 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30348 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30348 6 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30348 _Software.ID 1 _Software.Type . _Software.Name ABACUS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak and Arrowsmith' . . 30348 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30348 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30348 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30348 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30348 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 800 . . . 30348 1 2 NMR_spectrometer_2 Bruker Avance . 500 . . . 30348 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30348 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30348 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30348 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30348 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30348 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30348 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30348 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30348 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30348 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30348 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30348 1 11 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30348 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30348 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 30348 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251 . . . . . 30348 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 30348 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101 . . . . . 30348 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30348 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30348 1 2 '2D 1H-13C HSQC' . . . 30348 1 3 '3D HNCA' . . . 30348 1 4 '3D HNCO' . . . 30348 1 5 '3D CBCA(CO)NH' . . . 30348 1 6 '3D 1H-15N NOESY' . . . 30348 1 7 '3D 1H-13C NOESY aromatic' . . . 30348 1 8 '3D 1H-13C NOESY aliphatic' . . . 30348 1 9 '3D HBHA(CO)NH' . . . 30348 1 10 '3D HCCH-TOCSY' . . . 30348 1 11 '3D CCH-TOCSY' . . . 30348 1 12 '3D 1H-13C NOESY aromatic' . . . 30348 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 22 22 MET H H 1 8.172 0.04 . 1 . . . . A 1 MET H . 30348 1 2 . 1 1 22 22 MET N N 15 115.436 0.40 . 1 . . . . A 1 MET N . 30348 1 3 . 1 1 23 23 PRO HA H 1 4.598 0.04 . 1 . . . . A 2 PRO HA . 30348 1 4 . 1 1 23 23 PRO HB2 H 1 1.929 0.04 . 2 . . . . A 2 PRO HB2 . 30348 1 5 . 1 1 23 23 PRO HB3 H 1 1.615 0.04 . 2 . . . . A 2 PRO HB3 . 30348 1 6 . 1 1 23 23 PRO HG2 H 1 1.960 0.04 . 2 . . . . A 2 PRO HG2 . 30348 1 7 . 1 1 23 23 PRO HG3 H 1 1.909 0.04 . 2 . . . . A 2 PRO HG3 . 30348 1 8 . 1 1 23 23 PRO HD2 H 1 3.646 0.04 . 2 . . . . A 2 PRO HD2 . 30348 1 9 . 1 1 23 23 PRO HD3 H 1 3.886 0.04 . 2 . . . . A 2 PRO HD3 . 30348 1 10 . 1 1 23 23 PRO C C 13 176.660 0.40 . 1 . . . . A 2 PRO C . 30348 1 11 . 1 1 23 23 PRO CA C 13 62.722 0.40 . 1 . . . . A 2 PRO CA . 30348 1 12 . 1 1 23 23 PRO CB C 13 32.105 0.40 . 1 . . . . A 2 PRO CB . 30348 1 13 . 1 1 23 23 PRO CG C 13 27.349 0.40 . 1 . . . . A 2 PRO CG . 30348 1 14 . 1 1 23 23 PRO CD C 13 50.680 0.40 . 1 . . . . A 2 PRO CD . 30348 1 15 . 1 1 24 24 VAL H H 1 8.810 0.04 . 1 . . . . A 3 VAL H . 30348 1 16 . 1 1 24 24 VAL HA H 1 3.937 0.04 . 1 . . . . A 3 VAL HA . 30348 1 17 . 1 1 24 24 VAL HB H 1 1.945 0.04 . 1 . . . . A 3 VAL HB . 30348 1 18 . 1 1 24 24 VAL HG11 H 1 0.814 0.04 . 2 . . . . A 3 VAL HG11 . 30348 1 19 . 1 1 24 24 VAL HG12 H 1 0.814 0.04 . 2 . . . . A 3 VAL HG12 . 30348 1 20 . 1 1 24 24 VAL HG13 H 1 0.814 0.04 . 2 . . . . A 3 VAL HG13 . 30348 1 21 . 1 1 24 24 VAL HG21 H 1 0.981 0.04 . 2 . . . . A 3 VAL HG21 . 30348 1 22 . 1 1 24 24 VAL HG22 H 1 0.981 0.04 . 2 . . . . A 3 VAL HG22 . 30348 1 23 . 1 1 24 24 VAL HG23 H 1 0.981 0.04 . 2 . . . . A 3 VAL HG23 . 30348 1 24 . 1 1 24 24 VAL C C 13 175.135 0.40 . 1 . . . . A 3 VAL C . 30348 1 25 . 1 1 24 24 VAL CA C 13 62.839 0.40 . 1 . . . . A 3 VAL CA . 30348 1 26 . 1 1 24 24 VAL CB C 13 32.331 0.40 . 1 . . . . A 3 VAL CB . 30348 1 27 . 1 1 24 24 VAL CG1 C 13 21.238 0.40 . 2 . . . . A 3 VAL CG1 . 30348 1 28 . 1 1 24 24 VAL CG2 C 13 20.899 0.40 . 2 . . . . A 3 VAL CG2 . 30348 1 29 . 1 1 24 24 VAL N N 15 124.600 0.40 . 1 . . . . A 3 VAL N . 30348 1 30 . 1 1 25 25 ASP H H 1 8.919 0.04 . 1 . . . . A 4 ASP H . 30348 1 31 . 1 1 25 25 ASP HA H 1 5.077 0.04 . 1 . . . . A 4 ASP HA . 30348 1 32 . 1 1 25 25 ASP HB2 H 1 3.018 0.04 . 2 . . . . A 4 ASP HB2 . 30348 1 33 . 1 1 25 25 ASP HB3 H 1 2.561 0.04 . 2 . . . . A 4 ASP HB3 . 30348 1 34 . 1 1 25 25 ASP C C 13 176.180 0.40 . 1 . . . . A 4 ASP C . 30348 1 35 . 1 1 25 25 ASP CA C 13 53.831 0.40 . 1 . . . . A 4 ASP CA . 30348 1 36 . 1 1 25 25 ASP CB C 13 41.035 0.40 . 1 . . . . A 4 ASP CB . 30348 1 37 . 1 1 25 25 ASP N N 15 128.224 0.40 . 1 . . . . A 4 ASP N . 30348 1 38 . 1 1 26 26 LEU H H 1 9.236 0.04 . 1 . . . . A 5 LEU H . 30348 1 39 . 1 1 26 26 LEU HA H 1 5.018 0.04 . 1 . . . . A 5 LEU HA . 30348 1 40 . 1 1 26 26 LEU HB2 H 1 1.876 0.04 . 2 . . . . A 5 LEU HB2 . 30348 1 41 . 1 1 26 26 LEU HB3 H 1 1.603 0.04 . 2 . . . . A 5 LEU HB3 . 30348 1 42 . 1 1 26 26 LEU HD11 H 1 0.716 0.04 . 2 . . . . A 5 LEU HD11 . 30348 1 43 . 1 1 26 26 LEU HD12 H 1 0.716 0.04 . 2 . . . . A 5 LEU HD12 . 30348 1 44 . 1 1 26 26 LEU HD13 H 1 0.716 0.04 . 2 . . . . A 5 LEU HD13 . 30348 1 45 . 1 1 26 26 LEU HD21 H 1 0.793 0.04 . 2 . . . . A 5 LEU HD21 . 30348 1 46 . 1 1 26 26 LEU HD22 H 1 0.793 0.04 . 2 . . . . A 5 LEU HD22 . 30348 1 47 . 1 1 26 26 LEU HD23 H 1 0.793 0.04 . 2 . . . . A 5 LEU HD23 . 30348 1 48 . 1 1 26 26 LEU C C 13 176.281 0.40 . 1 . . . . A 5 LEU C . 30348 1 49 . 1 1 26 26 LEU CA C 13 53.074 0.40 . 1 . . . . A 5 LEU CA . 30348 1 50 . 1 1 26 26 LEU CB C 13 41.543 0.40 . 1 . . . . A 5 LEU CB . 30348 1 51 . 1 1 26 26 LEU CD1 C 13 25.961 0.40 . 2 . . . . A 5 LEU CD1 . 30348 1 52 . 1 1 26 26 LEU CD2 C 13 23.427 0.40 . 2 . . . . A 5 LEU CD2 . 30348 1 53 . 1 1 26 26 LEU N N 15 124.547 0.40 . 1 . . . . A 5 LEU N . 30348 1 54 . 1 1 27 27 THR H H 1 8.609 0.04 . 1 . . . . A 6 THR H . 30348 1 55 . 1 1 27 27 THR HA H 1 4.253 0.04 . 1 . . . . A 6 THR HA . 30348 1 56 . 1 1 27 27 THR HB H 1 3.808 0.04 . 1 . . . . A 6 THR HB . 30348 1 57 . 1 1 27 27 THR HG21 H 1 1.230 0.04 . 1 . . . . A 6 THR HG21 . 30348 1 58 . 1 1 27 27 THR HG22 H 1 1.230 0.04 . 1 . . . . A 6 THR HG22 . 30348 1 59 . 1 1 27 27 THR HG23 H 1 1.230 0.04 . 1 . . . . A 6 THR HG23 . 30348 1 60 . 1 1 27 27 THR CA C 13 65.716 0.40 . 1 . . . . A 6 THR CA . 30348 1 61 . 1 1 27 27 THR CB C 13 68.538 0.40 . 1 . . . . A 6 THR CB . 30348 1 62 . 1 1 27 27 THR CG2 C 13 21.948 0.40 . 1 . . . . A 6 THR CG2 . 30348 1 63 . 1 1 27 27 THR N N 15 119.499 0.40 . 1 . . . . A 6 THR N . 30348 1 64 . 1 1 28 28 PRO HA H 1 4.159 0.04 . 1 . . . . A 7 PRO HA . 30348 1 65 . 1 1 28 28 PRO HB2 H 1 2.042 0.04 . 2 . . . . A 7 PRO HB2 . 30348 1 66 . 1 1 28 28 PRO HB3 H 1 0.529 0.04 . 2 . . . . A 7 PRO HB3 . 30348 1 67 . 1 1 28 28 PRO HG2 H 1 1.679 0.04 . 2 . . . . A 7 PRO HG2 . 30348 1 68 . 1 1 28 28 PRO HG3 H 1 1.679 0.04 . 2 . . . . A 7 PRO HG3 . 30348 1 69 . 1 1 28 28 PRO HD2 H 1 3.505 0.04 . 2 . . . . A 7 PRO HD2 . 30348 1 70 . 1 1 28 28 PRO HD3 H 1 3.000 0.04 . 2 . . . . A 7 PRO HD3 . 30348 1 71 . 1 1 28 28 PRO C C 13 176.102 0.40 . 1 . . . . A 7 PRO C . 30348 1 72 . 1 1 28 28 PRO CA C 13 64.932 0.40 . 1 . . . . A 7 PRO CA . 30348 1 73 . 1 1 28 28 PRO CB C 13 30.840 0.40 . 1 . . . . A 7 PRO CB . 30348 1 74 . 1 1 28 28 PRO CG C 13 27.843 0.40 . 1 . . . . A 7 PRO CG . 30348 1 75 . 1 1 28 28 PRO CD C 13 51.136 0.40 . 1 . . . . A 7 PRO CD . 30348 1 76 . 1 1 29 29 TYR H H 1 7.707 0.04 . 1 . . . . A 8 TYR H . 30348 1 77 . 1 1 29 29 TYR HA H 1 4.415 0.04 . 1 . . . . A 8 TYR HA . 30348 1 78 . 1 1 29 29 TYR HB2 H 1 3.427 0.04 . 2 . . . . A 8 TYR HB2 . 30348 1 79 . 1 1 29 29 TYR HB3 H 1 2.584 0.04 . 2 . . . . A 8 TYR HB3 . 30348 1 80 . 1 1 29 29 TYR HD1 H 1 7.035 0.04 . 3 . . . . A 8 TYR HD1 . 30348 1 81 . 1 1 29 29 TYR HD2 H 1 7.035 0.04 . 3 . . . . A 8 TYR HD2 . 30348 1 82 . 1 1 29 29 TYR HE1 H 1 6.829 0.04 . 3 . . . . A 8 TYR HE1 . 30348 1 83 . 1 1 29 29 TYR HE2 H 1 6.829 0.04 . 3 . . . . A 8 TYR HE2 . 30348 1 84 . 1 1 29 29 TYR C C 13 174.440 0.40 . 1 . . . . A 8 TYR C . 30348 1 85 . 1 1 29 29 TYR CA C 13 57.080 0.40 . 1 . . . . A 8 TYR CA . 30348 1 86 . 1 1 29 29 TYR CB C 13 37.438 0.40 . 1 . . . . A 8 TYR CB . 30348 1 87 . 1 1 29 29 TYR CD1 C 13 133.348 0.40 . 3 . . . . A 8 TYR CD1 . 30348 1 88 . 1 1 29 29 TYR CE1 C 13 117.204 0.40 . 3 . . . . A 8 TYR CE1 . 30348 1 89 . 1 1 29 29 TYR N N 15 115.237 0.40 . 1 . . . . A 8 TYR N . 30348 1 90 . 1 1 30 30 ILE H H 1 7.266 0.04 . 1 . . . . A 9 ILE H . 30348 1 91 . 1 1 30 30 ILE HA H 1 3.817 0.04 . 1 . . . . A 9 ILE HA . 30348 1 92 . 1 1 30 30 ILE HB H 1 1.769 0.04 . 1 . . . . A 9 ILE HB . 30348 1 93 . 1 1 30 30 ILE HG12 H 1 1.571 0.04 . 2 . . . . A 9 ILE HG12 . 30348 1 94 . 1 1 30 30 ILE HG13 H 1 0.728 0.04 . 2 . . . . A 9 ILE HG13 . 30348 1 95 . 1 1 30 30 ILE HG21 H 1 0.793 0.04 . 1 . . . . A 9 ILE HG21 . 30348 1 96 . 1 1 30 30 ILE HG22 H 1 0.793 0.04 . 1 . . . . A 9 ILE HG22 . 30348 1 97 . 1 1 30 30 ILE HG23 H 1 0.793 0.04 . 1 . . . . A 9 ILE HG23 . 30348 1 98 . 1 1 30 30 ILE HD11 H 1 0.732 0.04 . 1 . . . . A 9 ILE HD11 . 30348 1 99 . 1 1 30 30 ILE HD12 H 1 0.732 0.04 . 1 . . . . A 9 ILE HD12 . 30348 1 100 . 1 1 30 30 ILE HD13 H 1 0.732 0.04 . 1 . . . . A 9 ILE HD13 . 30348 1 101 . 1 1 30 30 ILE C C 13 176.059 0.40 . 1 . . . . A 9 ILE C . 30348 1 102 . 1 1 30 30 ILE CA C 13 62.822 0.40 . 1 . . . . A 9 ILE CA . 30348 1 103 . 1 1 30 30 ILE CB C 13 38.578 0.40 . 1 . . . . A 9 ILE CB . 30348 1 104 . 1 1 30 30 ILE CG1 C 13 27.695 0.40 . 1 . . . . A 9 ILE CG1 . 30348 1 105 . 1 1 30 30 ILE CG2 C 13 16.885 0.40 . 1 . . . . A 9 ILE CG2 . 30348 1 106 . 1 1 30 30 ILE CD1 C 13 13.939 0.40 . 1 . . . . A 9 ILE CD1 . 30348 1 107 . 1 1 30 30 ILE N N 15 119.861 0.40 . 1 . . . . A 9 ILE N . 30348 1 108 . 1 1 31 31 LEU H H 1 8.752 0.04 . 1 . . . . A 10 LEU H . 30348 1 109 . 1 1 31 31 LEU HA H 1 4.819 0.04 . 1 . . . . A 10 LEU HA . 30348 1 110 . 1 1 31 31 LEU HB2 H 1 1.504 0.04 . 2 . . . . A 10 LEU HB2 . 30348 1 111 . 1 1 31 31 LEU HB3 H 1 1.283 0.04 . 2 . . . . A 10 LEU HB3 . 30348 1 112 . 1 1 31 31 LEU HG H 1 0.777 0.04 . 1 . . . . A 10 LEU HG . 30348 1 113 . 1 1 31 31 LEU HD11 H 1 0.908 0.04 . 2 . . . . A 10 LEU HD11 . 30348 1 114 . 1 1 31 31 LEU HD12 H 1 0.908 0.04 . 2 . . . . A 10 LEU HD12 . 30348 1 115 . 1 1 31 31 LEU HD13 H 1 0.908 0.04 . 2 . . . . A 10 LEU HD13 . 30348 1 116 . 1 1 31 31 LEU HD21 H 1 0.828 0.04 . 2 . . . . A 10 LEU HD21 . 30348 1 117 . 1 1 31 31 LEU HD22 H 1 0.828 0.04 . 2 . . . . A 10 LEU HD22 . 30348 1 118 . 1 1 31 31 LEU HD23 H 1 0.828 0.04 . 2 . . . . A 10 LEU HD23 . 30348 1 119 . 1 1 31 31 LEU CA C 13 51.678 0.40 . 1 . . . . A 10 LEU CA . 30348 1 120 . 1 1 31 31 LEU CB C 13 43.353 0.40 . 1 . . . . A 10 LEU CB . 30348 1 121 . 1 1 31 31 LEU CG C 13 25.890 0.40 . 1 . . . . A 10 LEU CG . 30348 1 122 . 1 1 31 31 LEU CD1 C 13 23.216 0.40 . 2 . . . . A 10 LEU CD1 . 30348 1 123 . 1 1 31 31 LEU CD2 C 13 21.418 0.40 . 2 . . . . A 10 LEU CD2 . 30348 1 124 . 1 1 31 31 LEU N N 15 131.614 0.40 . 1 . . . . A 10 LEU N . 30348 1 125 . 1 1 32 32 PRO HA H 1 4.355 0.04 . 1 . . . . A 11 PRO HA . 30348 1 126 . 1 1 32 32 PRO HB2 H 1 2.246 0.04 . 2 . . . . A 11 PRO HB2 . 30348 1 127 . 1 1 32 32 PRO HB3 H 1 1.909 0.04 . 2 . . . . A 11 PRO HB3 . 30348 1 128 . 1 1 32 32 PRO HG2 H 1 2.122 0.04 . 2 . . . . A 11 PRO HG2 . 30348 1 129 . 1 1 32 32 PRO HG3 H 1 1.992 0.04 . 2 . . . . A 11 PRO HG3 . 30348 1 130 . 1 1 32 32 PRO HD2 H 1 3.832 0.04 . 2 . . . . A 11 PRO HD2 . 30348 1 131 . 1 1 32 32 PRO HD3 H 1 3.652 0.04 . 2 . . . . A 11 PRO HD3 . 30348 1 132 . 1 1 32 32 PRO CA C 13 63.203 0.40 . 1 . . . . A 11 PRO CA . 30348 1 133 . 1 1 32 32 PRO CB C 13 31.648 0.40 . 1 . . . . A 11 PRO CB . 30348 1 134 . 1 1 32 32 PRO CG C 13 27.569 0.40 . 1 . . . . A 11 PRO CG . 30348 1 135 . 1 1 32 32 PRO CD C 13 50.526 0.40 . 1 . . . . A 11 PRO CD . 30348 1 136 . 1 1 33 33 GLY HA2 H 1 4.117 0.04 . 2 . . . . A 12 GLY HA2 . 30348 1 137 . 1 1 33 33 GLY HA3 H 1 3.700 0.04 . 2 . . . . A 12 GLY HA3 . 30348 1 138 . 1 1 33 33 GLY C C 13 173.834 0.40 . 1 . . . . A 12 GLY C . 30348 1 139 . 1 1 33 33 GLY CA C 13 45.846 0.40 . 1 . . . . A 12 GLY CA . 30348 1 140 . 1 1 34 34 VAL H H 1 7.414 0.04 . 1 . . . . A 13 VAL H . 30348 1 141 . 1 1 34 34 VAL HA H 1 4.548 0.04 . 1 . . . . A 13 VAL HA . 30348 1 142 . 1 1 34 34 VAL HB H 1 1.904 0.04 . 1 . . . . A 13 VAL HB . 30348 1 143 . 1 1 34 34 VAL HG11 H 1 0.803 0.04 . 2 . . . . A 13 VAL HG11 . 30348 1 144 . 1 1 34 34 VAL HG12 H 1 0.803 0.04 . 2 . . . . A 13 VAL HG12 . 30348 1 145 . 1 1 34 34 VAL HG13 H 1 0.803 0.04 . 2 . . . . A 13 VAL HG13 . 30348 1 146 . 1 1 34 34 VAL HG21 H 1 0.400 0.04 . 2 . . . . A 13 VAL HG21 . 30348 1 147 . 1 1 34 34 VAL HG22 H 1 0.400 0.04 . 2 . . . . A 13 VAL HG22 . 30348 1 148 . 1 1 34 34 VAL HG23 H 1 0.400 0.04 . 2 . . . . A 13 VAL HG23 . 30348 1 149 . 1 1 34 34 VAL C C 13 175.872 0.40 . 1 . . . . A 13 VAL C . 30348 1 150 . 1 1 34 34 VAL CA C 13 60.246 0.40 . 1 . . . . A 13 VAL CA . 30348 1 151 . 1 1 34 34 VAL CB C 13 34.921 0.40 . 1 . . . . A 13 VAL CB . 30348 1 152 . 1 1 34 34 VAL CG1 C 13 21.340 0.40 . 2 . . . . A 13 VAL CG1 . 30348 1 153 . 1 1 34 34 VAL CG2 C 13 19.462 0.40 . 2 . . . . A 13 VAL CG2 . 30348 1 154 . 1 1 34 34 VAL N N 15 113.925 0.40 . 1 . . . . A 13 VAL N . 30348 1 155 . 1 1 35 35 SER H H 1 8.331 0.04 . 1 . . . . A 14 SER H . 30348 1 156 . 1 1 35 35 SER HA H 1 4.417 0.04 . 1 . . . . A 14 SER HA . 30348 1 157 . 1 1 35 35 SER HB2 H 1 3.819 0.04 . 2 . . . . A 14 SER HB2 . 30348 1 158 . 1 1 35 35 SER HB3 H 1 3.686 0.04 . 2 . . . . A 14 SER HB3 . 30348 1 159 . 1 1 35 35 SER C C 13 172.732 0.40 . 1 . . . . A 14 SER C . 30348 1 160 . 1 1 35 35 SER CA C 13 58.168 0.40 . 1 . . . . A 14 SER CA . 30348 1 161 . 1 1 35 35 SER CB C 13 63.463 0.40 . 1 . . . . A 14 SER CB . 30348 1 162 . 1 1 35 35 SER N N 15 114.947 0.40 . 1 . . . . A 14 SER N . 30348 1 163 . 1 1 36 36 PHE H H 1 6.722 0.04 . 1 . . . . A 15 PHE H . 30348 1 164 . 1 1 36 36 PHE HA H 1 4.603 0.04 . 1 . . . . A 15 PHE HA . 30348 1 165 . 1 1 36 36 PHE HB2 H 1 2.949 0.04 . 2 . . . . A 15 PHE HB2 . 30348 1 166 . 1 1 36 36 PHE HB3 H 1 2.867 0.04 . 2 . . . . A 15 PHE HB3 . 30348 1 167 . 1 1 36 36 PHE C C 13 173.918 0.40 . 1 . . . . A 15 PHE C . 30348 1 168 . 1 1 36 36 PHE CA C 13 55.120 0.40 . 1 . . . . A 15 PHE CA . 30348 1 169 . 1 1 36 36 PHE CB C 13 40.503 0.40 . 1 . . . . A 15 PHE CB . 30348 1 170 . 1 1 36 36 PHE N N 15 115.670 0.40 . 1 . . . . A 15 PHE N . 30348 1 171 . 1 1 37 37 LEU H H 1 6.636 0.04 . 1 . . . . A 16 LEU H . 30348 1 172 . 1 1 37 37 LEU HA H 1 4.709 0.04 . 1 . . . . A 16 LEU HA . 30348 1 173 . 1 1 37 37 LEU HB2 H 1 1.496 0.04 . 2 . . . . A 16 LEU HB2 . 30348 1 174 . 1 1 37 37 LEU HB3 H 1 1.338 0.04 . 2 . . . . A 16 LEU HB3 . 30348 1 175 . 1 1 37 37 LEU HG H 1 1.361 0.04 . 1 . . . . A 16 LEU HG . 30348 1 176 . 1 1 37 37 LEU HD11 H 1 0.709 0.04 . 2 . . . . A 16 LEU HD11 . 30348 1 177 . 1 1 37 37 LEU HD12 H 1 0.709 0.04 . 2 . . . . A 16 LEU HD12 . 30348 1 178 . 1 1 37 37 LEU HD13 H 1 0.709 0.04 . 2 . . . . A 16 LEU HD13 . 30348 1 179 . 1 1 37 37 LEU HD21 H 1 0.428 0.04 . 2 . . . . A 16 LEU HD21 . 30348 1 180 . 1 1 37 37 LEU HD22 H 1 0.428 0.04 . 2 . . . . A 16 LEU HD22 . 30348 1 181 . 1 1 37 37 LEU HD23 H 1 0.428 0.04 . 2 . . . . A 16 LEU HD23 . 30348 1 182 . 1 1 37 37 LEU C C 13 176.829 0.40 . 1 . . . . A 16 LEU C . 30348 1 183 . 1 1 37 37 LEU CA C 13 53.510 0.40 . 1 . . . . A 16 LEU CA . 30348 1 184 . 1 1 37 37 LEU CB C 13 43.486 0.40 . 1 . . . . A 16 LEU CB . 30348 1 185 . 1 1 37 37 LEU CG C 13 27.509 0.40 . 1 . . . . A 16 LEU CG . 30348 1 186 . 1 1 37 37 LEU CD1 C 13 25.911 0.40 . 2 . . . . A 16 LEU CD1 . 30348 1 187 . 1 1 37 37 LEU CD2 C 13 24.198 0.40 . 2 . . . . A 16 LEU CD2 . 30348 1 188 . 1 1 37 37 LEU N N 15 119.447 0.40 . 1 . . . . A 16 LEU N . 30348 1 189 . 1 1 38 38 SER H H 1 8.933 0.04 . 1 . . . . A 17 SER H . 30348 1 190 . 1 1 38 38 SER HA H 1 4.445 0.04 . 1 . . . . A 17 SER HA . 30348 1 191 . 1 1 38 38 SER HB2 H 1 3.930 0.04 . 2 . . . . A 17 SER HB2 . 30348 1 192 . 1 1 38 38 SER HB3 H 1 4.136 0.04 . 2 . . . . A 17 SER HB3 . 30348 1 193 . 1 1 38 38 SER C C 13 173.231 0.40 . 1 . . . . A 17 SER C . 30348 1 194 . 1 1 38 38 SER CA C 13 58.104 0.40 . 1 . . . . A 17 SER CA . 30348 1 195 . 1 1 38 38 SER CB C 13 63.951 0.40 . 1 . . . . A 17 SER CB . 30348 1 196 . 1 1 38 38 SER N N 15 115.115 0.40 . 1 . . . . A 17 SER N . 30348 1 197 . 1 1 39 39 ASP H H 1 7.992 0.04 . 1 . . . . A 18 ASP H . 30348 1 198 . 1 1 39 39 ASP HA H 1 4.340 0.04 . 1 . . . . A 18 ASP HA . 30348 1 199 . 1 1 39 39 ASP HB2 H 1 2.553 0.04 . 2 . . . . A 18 ASP HB2 . 30348 1 200 . 1 1 39 39 ASP HB3 H 1 2.553 0.04 . 2 . . . . A 18 ASP HB3 . 30348 1 201 . 1 1 39 39 ASP C C 13 175.498 0.40 . 1 . . . . A 18 ASP C . 30348 1 202 . 1 1 39 39 ASP CA C 13 55.654 0.40 . 1 . . . . A 18 ASP CA . 30348 1 203 . 1 1 39 39 ASP CB C 13 40.944 0.40 . 1 . . . . A 18 ASP CB . 30348 1 204 . 1 1 39 39 ASP N N 15 118.155 0.40 . 1 . . . . A 18 ASP N . 30348 1 205 . 1 1 40 40 ILE H H 1 7.942 0.04 . 1 . . . . A 19 ILE H . 30348 1 206 . 1 1 40 40 ILE HA H 1 3.605 0.04 . 1 . . . . A 19 ILE HA . 30348 1 207 . 1 1 40 40 ILE HB H 1 1.370 0.04 . 1 . . . . A 19 ILE HB . 30348 1 208 . 1 1 40 40 ILE HG12 H 1 1.705 0.04 . 2 . . . . A 19 ILE HG12 . 30348 1 209 . 1 1 40 40 ILE HG13 H 1 0.356 0.04 . 2 . . . . A 19 ILE HG13 . 30348 1 210 . 1 1 40 40 ILE HG21 H 1 0.565 0.04 . 1 . . . . A 19 ILE HG21 . 30348 1 211 . 1 1 40 40 ILE HG22 H 1 0.565 0.04 . 1 . . . . A 19 ILE HG22 . 30348 1 212 . 1 1 40 40 ILE HG23 H 1 0.565 0.04 . 1 . . . . A 19 ILE HG23 . 30348 1 213 . 1 1 40 40 ILE HD11 H 1 0.679 0.04 . 1 . . . . A 19 ILE HD11 . 30348 1 214 . 1 1 40 40 ILE HD12 H 1 0.679 0.04 . 1 . . . . A 19 ILE HD12 . 30348 1 215 . 1 1 40 40 ILE HD13 H 1 0.679 0.04 . 1 . . . . A 19 ILE HD13 . 30348 1 216 . 1 1 40 40 ILE CA C 13 58.120 0.40 . 1 . . . . A 19 ILE CA . 30348 1 217 . 1 1 40 40 ILE CB C 13 40.085 0.40 . 1 . . . . A 19 ILE CB . 30348 1 218 . 1 1 40 40 ILE CG1 C 13 26.837 0.40 . 1 . . . . A 19 ILE CG1 . 30348 1 219 . 1 1 40 40 ILE CG2 C 13 17.049 0.40 . 1 . . . . A 19 ILE CG2 . 30348 1 220 . 1 1 40 40 ILE CD1 C 13 13.701 0.40 . 1 . . . . A 19 ILE CD1 . 30348 1 221 . 1 1 40 40 ILE N N 15 125.827 0.40 . 1 . . . . A 19 ILE N . 30348 1 222 . 1 1 41 41 PRO HA H 1 4.351 0.04 . 1 . . . . A 20 PRO HA . 30348 1 223 . 1 1 41 41 PRO HB2 H 1 2.511 0.04 . 2 . . . . A 20 PRO HB2 . 30348 1 224 . 1 1 41 41 PRO HB3 H 1 1.960 0.04 . 2 . . . . A 20 PRO HB3 . 30348 1 225 . 1 1 41 41 PRO HG2 H 1 2.119 0.04 . 2 . . . . A 20 PRO HG2 . 30348 1 226 . 1 1 41 41 PRO HG3 H 1 2.055 0.04 . 2 . . . . A 20 PRO HG3 . 30348 1 227 . 1 1 41 41 PRO HD2 H 1 3.653 0.04 . 2 . . . . A 20 PRO HD2 . 30348 1 228 . 1 1 41 41 PRO HD3 H 1 3.108 0.04 . 2 . . . . A 20 PRO HD3 . 30348 1 229 . 1 1 41 41 PRO C C 13 174.403 0.40 . 1 . . . . A 20 PRO C . 30348 1 230 . 1 1 41 41 PRO CA C 13 63.235 0.40 . 1 . . . . A 20 PRO CA . 30348 1 231 . 1 1 41 41 PRO CB C 13 32.714 0.40 . 1 . . . . A 20 PRO CB . 30348 1 232 . 1 1 41 41 PRO CG C 13 28.095 0.40 . 1 . . . . A 20 PRO CG . 30348 1 233 . 1 1 41 41 PRO CD C 13 51.889 0.40 . 1 . . . . A 20 PRO CD . 30348 1 234 . 1 1 42 42 GLN H H 1 8.971 0.04 . 1 . . . . A 21 GLN H . 30348 1 235 . 1 1 42 42 GLN N N 15 124.103 0.40 . 1 . . . . A 21 GLN N . 30348 1 236 . 1 1 43 43 GLU HA H 1 4.105 0.04 . 1 . . . . A 22 GLU HA . 30348 1 237 . 1 1 43 43 GLU HB2 H 1 2.052 0.04 . 2 . . . . A 22 GLU HB2 . 30348 1 238 . 1 1 43 43 GLU HB3 H 1 2.052 0.04 . 2 . . . . A 22 GLU HB3 . 30348 1 239 . 1 1 43 43 GLU HG2 H 1 2.418 0.04 . 2 . . . . A 22 GLU HG2 . 30348 1 240 . 1 1 43 43 GLU HG3 H 1 2.345 0.04 . 2 . . . . A 22 GLU HG3 . 30348 1 241 . 1 1 43 43 GLU C C 13 179.048 0.40 . 1 . . . . A 22 GLU C . 30348 1 242 . 1 1 43 43 GLU CA C 13 59.940 0.40 . 1 . . . . A 22 GLU CA . 30348 1 243 . 1 1 43 43 GLU CB C 13 28.563 0.40 . 1 . . . . A 22 GLU CB . 30348 1 244 . 1 1 43 43 GLU CG C 13 36.424 0.40 . 1 . . . . A 22 GLU CG . 30348 1 245 . 1 1 44 44 THR H H 1 7.217 0.04 . 1 . . . . A 23 THR H . 30348 1 246 . 1 1 44 44 THR HA H 1 4.093 0.04 . 1 . . . . A 23 THR HA . 30348 1 247 . 1 1 44 44 THR HB H 1 3.994 0.04 . 1 . . . . A 23 THR HB . 30348 1 248 . 1 1 44 44 THR HG21 H 1 1.061 0.04 . 1 . . . . A 23 THR HG21 . 30348 1 249 . 1 1 44 44 THR HG22 H 1 1.061 0.04 . 1 . . . . A 23 THR HG22 . 30348 1 250 . 1 1 44 44 THR HG23 H 1 1.061 0.04 . 1 . . . . A 23 THR HG23 . 30348 1 251 . 1 1 44 44 THR C C 13 175.948 0.40 . 1 . . . . A 23 THR C . 30348 1 252 . 1 1 44 44 THR CA C 13 65.942 0.40 . 1 . . . . A 23 THR CA . 30348 1 253 . 1 1 44 44 THR CB C 13 68.127 0.40 . 1 . . . . A 23 THR CB . 30348 1 254 . 1 1 44 44 THR CG2 C 13 22.691 0.40 . 1 . . . . A 23 THR CG2 . 30348 1 255 . 1 1 44 44 THR N N 15 118.489 0.40 . 1 . . . . A 23 THR N . 30348 1 256 . 1 1 45 45 LEU H H 1 7.666 0.04 . 1 . . . . A 24 LEU H . 30348 1 257 . 1 1 45 45 LEU HA H 1 3.803 0.04 . 1 . . . . A 24 LEU HA . 30348 1 258 . 1 1 45 45 LEU HB2 H 1 1.844 0.04 . 2 . . . . A 24 LEU HB2 . 30348 1 259 . 1 1 45 45 LEU HB3 H 1 1.274 0.04 . 2 . . . . A 24 LEU HB3 . 30348 1 260 . 1 1 45 45 LEU HG H 1 1.475 0.04 . 1 . . . . A 24 LEU HG . 30348 1 261 . 1 1 45 45 LEU HD11 H 1 0.772 0.04 . 2 . . . . A 24 LEU HD11 . 30348 1 262 . 1 1 45 45 LEU HD12 H 1 0.772 0.04 . 2 . . . . A 24 LEU HD12 . 30348 1 263 . 1 1 45 45 LEU HD13 H 1 0.772 0.04 . 2 . . . . A 24 LEU HD13 . 30348 1 264 . 1 1 45 45 LEU HD21 H 1 0.603 0.04 . 2 . . . . A 24 LEU HD21 . 30348 1 265 . 1 1 45 45 LEU HD22 H 1 0.603 0.04 . 2 . . . . A 24 LEU HD22 . 30348 1 266 . 1 1 45 45 LEU HD23 H 1 0.603 0.04 . 2 . . . . A 24 LEU HD23 . 30348 1 267 . 1 1 45 45 LEU C C 13 179.277 0.40 . 1 . . . . A 24 LEU C . 30348 1 268 . 1 1 45 45 LEU CA C 13 58.245 0.40 . 1 . . . . A 24 LEU CA . 30348 1 269 . 1 1 45 45 LEU CB C 13 40.710 0.40 . 1 . . . . A 24 LEU CB . 30348 1 270 . 1 1 45 45 LEU CG C 13 26.297 0.40 . 1 . . . . A 24 LEU CG . 30348 1 271 . 1 1 45 45 LEU CD1 C 13 25.617 0.40 . 2 . . . . A 24 LEU CD1 . 30348 1 272 . 1 1 45 45 LEU CD2 C 13 22.350 0.40 . 2 . . . . A 24 LEU CD2 . 30348 1 273 . 1 1 45 45 LEU N N 15 121.870 0.40 . 1 . . . . A 24 LEU N . 30348 1 274 . 1 1 46 46 SER H H 1 8.512 0.04 . 1 . . . . A 25 SER H . 30348 1 275 . 1 1 46 46 SER HA H 1 3.972 0.04 . 1 . . . . A 25 SER HA . 30348 1 276 . 1 1 46 46 SER HB2 H 1 3.915 0.04 . 2 . . . . A 25 SER HB2 . 30348 1 277 . 1 1 46 46 SER HB3 H 1 3.915 0.04 . 2 . . . . A 25 SER HB3 . 30348 1 278 . 1 1 46 46 SER C C 13 175.899 0.40 . 1 . . . . A 25 SER C . 30348 1 279 . 1 1 46 46 SER CA C 13 62.470 0.40 . 1 . . . . A 25 SER CA . 30348 1 280 . 1 1 46 46 SER CB C 13 62.470 0.40 . 1 . . . . A 25 SER CB . 30348 1 281 . 1 1 46 46 SER N N 15 114.033 0.40 . 1 . . . . A 25 SER N . 30348 1 282 . 1 1 47 47 GLU H H 1 7.499 0.04 . 1 . . . . A 26 GLU H . 30348 1 283 . 1 1 47 47 GLU HA H 1 4.199 0.04 . 1 . . . . A 26 GLU HA . 30348 1 284 . 1 1 47 47 GLU HB2 H 1 2.160 0.04 . 2 . . . . A 26 GLU HB2 . 30348 1 285 . 1 1 47 47 GLU HB3 H 1 2.245 0.04 . 2 . . . . A 26 GLU HB3 . 30348 1 286 . 1 1 47 47 GLU HG2 H 1 2.335 0.04 . 2 . . . . A 26 GLU HG2 . 30348 1 287 . 1 1 47 47 GLU HG3 H 1 2.265 0.04 . 2 . . . . A 26 GLU HG3 . 30348 1 288 . 1 1 47 47 GLU C C 13 178.954 0.40 . 1 . . . . A 26 GLU C . 30348 1 289 . 1 1 47 47 GLU CA C 13 59.354 0.40 . 1 . . . . A 26 GLU CA . 30348 1 290 . 1 1 47 47 GLU CB C 13 28.998 0.40 . 1 . . . . A 26 GLU CB . 30348 1 291 . 1 1 47 47 GLU CG C 13 35.496 0.40 . 1 . . . . A 26 GLU CG . 30348 1 292 . 1 1 47 47 GLU N N 15 122.816 0.40 . 1 . . . . A 26 GLU N . 30348 1 293 . 1 1 48 48 ILE H H 1 7.842 0.04 . 1 . . . . A 27 ILE H . 30348 1 294 . 1 1 48 48 ILE HA H 1 3.305 0.04 . 1 . . . . A 27 ILE HA . 30348 1 295 . 1 1 48 48 ILE HB H 1 1.876 0.04 . 1 . . . . A 27 ILE HB . 30348 1 296 . 1 1 48 48 ILE HG12 H 1 2.017 0.04 . 2 . . . . A 27 ILE HG12 . 30348 1 297 . 1 1 48 48 ILE HG13 H 1 0.634 0.04 . 2 . . . . A 27 ILE HG13 . 30348 1 298 . 1 1 48 48 ILE HG21 H 1 0.495 0.04 . 1 . . . . A 27 ILE HG21 . 30348 1 299 . 1 1 48 48 ILE HG22 H 1 0.495 0.04 . 1 . . . . A 27 ILE HG22 . 30348 1 300 . 1 1 48 48 ILE HG23 H 1 0.495 0.04 . 1 . . . . A 27 ILE HG23 . 30348 1 301 . 1 1 48 48 ILE HD11 H 1 0.713 0.04 . 1 . . . . A 27 ILE HD11 . 30348 1 302 . 1 1 48 48 ILE HD12 H 1 0.713 0.04 . 1 . . . . A 27 ILE HD12 . 30348 1 303 . 1 1 48 48 ILE HD13 H 1 0.713 0.04 . 1 . . . . A 27 ILE HD13 . 30348 1 304 . 1 1 48 48 ILE C C 13 180.117 0.40 . 1 . . . . A 27 ILE C . 30348 1 305 . 1 1 48 48 ILE CA C 13 66.065 0.40 . 1 . . . . A 27 ILE CA . 30348 1 306 . 1 1 48 48 ILE CB C 13 37.910 0.40 . 1 . . . . A 27 ILE CB . 30348 1 307 . 1 1 48 48 ILE CG1 C 13 29.306 0.40 . 1 . . . . A 27 ILE CG1 . 30348 1 308 . 1 1 48 48 ILE CG2 C 13 17.039 0.40 . 1 . . . . A 27 ILE CG2 . 30348 1 309 . 1 1 48 48 ILE CD1 C 13 13.810 0.40 . 1 . . . . A 27 ILE CD1 . 30348 1 310 . 1 1 48 48 ILE N N 15 118.391 0.40 . 1 . . . . A 27 ILE N . 30348 1 311 . 1 1 49 49 ARG H H 1 8.142 0.04 . 1 . . . . A 28 ARG H . 30348 1 312 . 1 1 49 49 ARG HA H 1 3.473 0.04 . 1 . . . . A 28 ARG HA . 30348 1 313 . 1 1 49 49 ARG HB2 H 1 1.793 0.04 . 2 . . . . A 28 ARG HB2 . 30348 1 314 . 1 1 49 49 ARG HB3 H 1 1.793 0.04 . 2 . . . . A 28 ARG HB3 . 30348 1 315 . 1 1 49 49 ARG HG2 H 1 1.558 0.04 . 2 . . . . A 28 ARG HG2 . 30348 1 316 . 1 1 49 49 ARG HG3 H 1 1.043 0.04 . 2 . . . . A 28 ARG HG3 . 30348 1 317 . 1 1 49 49 ARG HD2 H 1 3.247 0.04 . 2 . . . . A 28 ARG HD2 . 30348 1 318 . 1 1 49 49 ARG HD3 H 1 3.165 0.04 . 2 . . . . A 28 ARG HD3 . 30348 1 319 . 1 1 49 49 ARG C C 13 179.102 0.40 . 1 . . . . A 28 ARG C . 30348 1 320 . 1 1 49 49 ARG CA C 13 60.499 0.40 . 1 . . . . A 28 ARG CA . 30348 1 321 . 1 1 49 49 ARG CB C 13 29.716 0.40 . 1 . . . . A 28 ARG CB . 30348 1 322 . 1 1 49 49 ARG CG C 13 28.622 0.40 . 1 . . . . A 28 ARG CG . 30348 1 323 . 1 1 49 49 ARG CD C 13 43.287 0.40 . 1 . . . . A 28 ARG CD . 30348 1 324 . 1 1 49 49 ARG N N 15 118.921 0.40 . 1 . . . . A 28 ARG N . 30348 1 325 . 1 1 50 50 ASN H H 1 8.682 0.04 . 1 . . . . A 29 ASN H . 30348 1 326 . 1 1 50 50 ASN HA H 1 4.426 0.04 . 1 . . . . A 29 ASN HA . 30348 1 327 . 1 1 50 50 ASN HB2 H 1 2.935 0.04 . 2 . . . . A 29 ASN HB2 . 30348 1 328 . 1 1 50 50 ASN HB3 H 1 2.769 0.04 . 2 . . . . A 29 ASN HB3 . 30348 1 329 . 1 1 50 50 ASN C C 13 178.290 0.40 . 1 . . . . A 29 ASN C . 30348 1 330 . 1 1 50 50 ASN CA C 13 56.039 0.40 . 1 . . . . A 29 ASN CA . 30348 1 331 . 1 1 50 50 ASN CB C 13 38.070 0.40 . 1 . . . . A 29 ASN CB . 30348 1 332 . 1 1 50 50 ASN N N 15 118.211 0.40 . 1 . . . . A 29 ASN N . 30348 1 333 . 1 1 51 51 GLN H H 1 8.149 0.04 . 1 . . . . A 30 GLN H . 30348 1 334 . 1 1 51 51 GLN HA H 1 4.079 0.04 . 1 . . . . A 30 GLN HA . 30348 1 335 . 1 1 51 51 GLN HB2 H 1 2.148 0.04 . 2 . . . . A 30 GLN HB2 . 30348 1 336 . 1 1 51 51 GLN HB3 H 1 2.368 0.04 . 2 . . . . A 30 GLN HB3 . 30348 1 337 . 1 1 51 51 GLN HG2 H 1 2.764 0.04 . 2 . . . . A 30 GLN HG2 . 30348 1 338 . 1 1 51 51 GLN HG3 H 1 2.470 0.04 . 2 . . . . A 30 GLN HG3 . 30348 1 339 . 1 1 51 51 GLN C C 13 178.435 0.40 . 1 . . . . A 30 GLN C . 30348 1 340 . 1 1 51 51 GLN CA C 13 59.079 0.40 . 1 . . . . A 30 GLN CA . 30348 1 341 . 1 1 51 51 GLN CB C 13 27.995 0.40 . 1 . . . . A 30 GLN CB . 30348 1 342 . 1 1 51 51 GLN CG C 13 34.171 0.40 . 1 . . . . A 30 GLN CG . 30348 1 343 . 1 1 51 51 GLN N N 15 118.868 0.40 . 1 . . . . A 30 GLN N . 30348 1 344 . 1 1 52 52 THR H H 1 7.879 0.04 . 1 . . . . A 31 THR H . 30348 1 345 . 1 1 52 52 THR HA H 1 3.893 0.04 . 1 . . . . A 31 THR HA . 30348 1 346 . 1 1 52 52 THR HB H 1 4.168 0.04 . 1 . . . . A 31 THR HB . 30348 1 347 . 1 1 52 52 THR HG21 H 1 1.179 0.04 . 1 . . . . A 31 THR HG21 . 30348 1 348 . 1 1 52 52 THR HG22 H 1 1.179 0.04 . 1 . . . . A 31 THR HG22 . 30348 1 349 . 1 1 52 52 THR HG23 H 1 1.179 0.04 . 1 . . . . A 31 THR HG23 . 30348 1 350 . 1 1 52 52 THR C C 13 176.714 0.40 . 1 . . . . A 31 THR C . 30348 1 351 . 1 1 52 52 THR CA C 13 66.031 0.40 . 1 . . . . A 31 THR CA . 30348 1 352 . 1 1 52 52 THR CB C 13 68.743 0.40 . 1 . . . . A 31 THR CB . 30348 1 353 . 1 1 52 52 THR CG2 C 13 22.305 0.40 . 1 . . . . A 31 THR CG2 . 30348 1 354 . 1 1 52 52 THR N N 15 110.944 0.40 . 1 . . . . A 31 THR N . 30348 1 355 . 1 1 53 53 ILE H H 1 7.595 0.04 . 1 . . . . A 32 ILE H . 30348 1 356 . 1 1 53 53 ILE HA H 1 3.885 0.04 . 1 . . . . A 32 ILE HA . 30348 1 357 . 1 1 53 53 ILE HB H 1 1.991 0.04 . 1 . . . . A 32 ILE HB . 30348 1 358 . 1 1 53 53 ILE HG12 H 1 1.707 0.04 . 2 . . . . A 32 ILE HG12 . 30348 1 359 . 1 1 53 53 ILE HG13 H 1 1.371 0.04 . 2 . . . . A 32 ILE HG13 . 30348 1 360 . 1 1 53 53 ILE HG21 H 1 0.989 0.04 . 1 . . . . A 32 ILE HG21 . 30348 1 361 . 1 1 53 53 ILE HG22 H 1 0.989 0.04 . 1 . . . . A 32 ILE HG22 . 30348 1 362 . 1 1 53 53 ILE HG23 H 1 0.989 0.04 . 1 . . . . A 32 ILE HG23 . 30348 1 363 . 1 1 53 53 ILE HD11 H 1 0.950 0.04 . 1 . . . . A 32 ILE HD11 . 30348 1 364 . 1 1 53 53 ILE HD12 H 1 0.950 0.04 . 1 . . . . A 32 ILE HD12 . 30348 1 365 . 1 1 53 53 ILE HD13 H 1 0.950 0.04 . 1 . . . . A 32 ILE HD13 . 30348 1 366 . 1 1 53 53 ILE C C 13 177.858 0.40 . 1 . . . . A 32 ILE C . 30348 1 367 . 1 1 53 53 ILE CA C 13 64.241 0.40 . 1 . . . . A 32 ILE CA . 30348 1 368 . 1 1 53 53 ILE CB C 13 37.834 0.40 . 1 . . . . A 32 ILE CB . 30348 1 369 . 1 1 53 53 ILE CG1 C 13 28.825 0.40 . 1 . . . . A 32 ILE CG1 . 30348 1 370 . 1 1 53 53 ILE CG2 C 13 17.353 0.40 . 1 . . . . A 32 ILE CG2 . 30348 1 371 . 1 1 53 53 ILE CD1 C 13 13.276 0.40 . 1 . . . . A 32 ILE CD1 . 30348 1 372 . 1 1 53 53 ILE N N 15 120.914 0.40 . 1 . . . . A 32 ILE N . 30348 1 373 . 1 1 54 54 ARG H H 1 7.371 0.04 . 1 . . . . A 33 ARG H . 30348 1 374 . 1 1 54 54 ARG HA H 1 4.321 0.04 . 1 . . . . A 33 ARG HA . 30348 1 375 . 1 1 54 54 ARG HB2 H 1 2.051 0.04 . 2 . . . . A 33 ARG HB2 . 30348 1 376 . 1 1 54 54 ARG HB3 H 1 1.943 0.04 . 2 . . . . A 33 ARG HB3 . 30348 1 377 . 1 1 54 54 ARG HG2 H 1 1.756 0.04 . 2 . . . . A 33 ARG HG2 . 30348 1 378 . 1 1 54 54 ARG HG3 H 1 1.675 0.04 . 2 . . . . A 33 ARG HG3 . 30348 1 379 . 1 1 54 54 ARG HD2 H 1 3.186 0.04 . 2 . . . . A 33 ARG HD2 . 30348 1 380 . 1 1 54 54 ARG HD3 H 1 3.186 0.04 . 2 . . . . A 33 ARG HD3 . 30348 1 381 . 1 1 54 54 ARG C C 13 176.779 0.40 . 1 . . . . A 33 ARG C . 30348 1 382 . 1 1 54 54 ARG CA C 13 56.849 0.40 . 1 . . . . A 33 ARG CA . 30348 1 383 . 1 1 54 54 ARG CB C 13 30.363 0.40 . 1 . . . . A 33 ARG CB . 30348 1 384 . 1 1 54 54 ARG CG C 13 27.746 0.40 . 1 . . . . A 33 ARG CG . 30348 1 385 . 1 1 54 54 ARG CD C 13 43.302 0.40 . 1 . . . . A 33 ARG CD . 30348 1 386 . 1 1 54 54 ARG N N 15 117.759 0.40 . 1 . . . . A 33 ARG N . 30348 1 387 . 1 1 55 55 GLY H H 1 7.653 0.04 . 1 . . . . A 34 GLY H . 30348 1 388 . 1 1 55 55 GLY HA2 H 1 4.473 0.04 . 2 . . . . A 34 GLY HA2 . 30348 1 389 . 1 1 55 55 GLY HA3 H 1 3.567 0.04 . 2 . . . . A 34 GLY HA3 . 30348 1 390 . 1 1 55 55 GLY C C 13 172.582 0.40 . 1 . . . . A 34 GLY C . 30348 1 391 . 1 1 55 55 GLY CA C 13 46.683 0.40 . 1 . . . . A 34 GLY CA . 30348 1 392 . 1 1 55 55 GLY N N 15 108.229 0.40 . 1 . . . . A 34 GLY N . 30348 1 393 . 1 1 56 56 GLU H H 1 7.501 0.04 . 1 . . . . A 35 GLU H . 30348 1 394 . 1 1 56 56 GLU HA H 1 4.938 0.04 . 1 . . . . A 35 GLU HA . 30348 1 395 . 1 1 56 56 GLU HB2 H 1 2.104 0.04 . 2 . . . . A 35 GLU HB2 . 30348 1 396 . 1 1 56 56 GLU HB3 H 1 1.970 0.04 . 2 . . . . A 35 GLU HB3 . 30348 1 397 . 1 1 56 56 GLU HG2 H 1 2.070 0.04 . 2 . . . . A 35 GLU HG2 . 30348 1 398 . 1 1 56 56 GLU HG3 H 1 2.070 0.04 . 2 . . . . A 35 GLU HG3 . 30348 1 399 . 1 1 56 56 GLU C C 13 173.863 0.40 . 1 . . . . A 35 GLU C . 30348 1 400 . 1 1 56 56 GLU CA C 13 56.071 0.40 . 1 . . . . A 35 GLU CA . 30348 1 401 . 1 1 56 56 GLU CB C 13 32.495 0.40 . 1 . . . . A 35 GLU CB . 30348 1 402 . 1 1 56 56 GLU CG C 13 36.113 0.40 . 1 . . . . A 35 GLU CG . 30348 1 403 . 1 1 56 56 GLU N N 15 117.879 0.40 . 1 . . . . A 35 GLU N . 30348 1 404 . 1 1 57 57 ALA H H 1 9.040 0.04 . 1 . . . . A 36 ALA H . 30348 1 405 . 1 1 57 57 ALA HA H 1 4.958 0.04 . 1 . . . . A 36 ALA HA . 30348 1 406 . 1 1 57 57 ALA HB1 H 1 1.286 0.04 . 1 . . . . A 36 ALA HB1 . 30348 1 407 . 1 1 57 57 ALA HB2 H 1 1.286 0.04 . 1 . . . . A 36 ALA HB2 . 30348 1 408 . 1 1 57 57 ALA HB3 H 1 1.286 0.04 . 1 . . . . A 36 ALA HB3 . 30348 1 409 . 1 1 57 57 ALA C C 13 176.379 0.40 . 1 . . . . A 36 ALA C . 30348 1 410 . 1 1 57 57 ALA CA C 13 50.355 0.40 . 1 . . . . A 36 ALA CA . 30348 1 411 . 1 1 57 57 ALA CB C 13 22.401 0.40 . 1 . . . . A 36 ALA CB . 30348 1 412 . 1 1 57 57 ALA N N 15 125.530 0.40 . 1 . . . . A 36 ALA N . 30348 1 413 . 1 1 58 58 GLN H H 1 8.470 0.04 . 1 . . . . A 37 GLN H . 30348 1 414 . 1 1 58 58 GLN HA H 1 5.077 0.04 . 1 . . . . A 37 GLN HA . 30348 1 415 . 1 1 58 58 GLN HB2 H 1 1.936 0.04 . 2 . . . . A 37 GLN HB2 . 30348 1 416 . 1 1 58 58 GLN HB3 H 1 1.733 0.04 . 2 . . . . A 37 GLN HB3 . 30348 1 417 . 1 1 58 58 GLN HG2 H 1 2.172 0.04 . 2 . . . . A 37 GLN HG2 . 30348 1 418 . 1 1 58 58 GLN HG3 H 1 2.172 0.04 . 2 . . . . A 37 GLN HG3 . 30348 1 419 . 1 1 58 58 GLN C C 13 174.603 0.40 . 1 . . . . A 37 GLN C . 30348 1 420 . 1 1 58 58 GLN CA C 13 54.823 0.40 . 1 . . . . A 37 GLN CA . 30348 1 421 . 1 1 58 58 GLN CB C 13 30.408 0.40 . 1 . . . . A 37 GLN CB . 30348 1 422 . 1 1 58 58 GLN CG C 13 33.905 0.40 . 1 . . . . A 37 GLN CG . 30348 1 423 . 1 1 58 58 GLN N N 15 120.544 0.40 . 1 . . . . A 37 GLN N . 30348 1 424 . 1 1 59 59 ILE H H 1 9.258 0.04 . 1 . . . . A 38 ILE H . 30348 1 425 . 1 1 59 59 ILE HA H 1 5.055 0.04 . 1 . . . . A 38 ILE HA . 30348 1 426 . 1 1 59 59 ILE HB H 1 1.668 0.04 . 1 . . . . A 38 ILE HB . 30348 1 427 . 1 1 59 59 ILE HG12 H 1 1.352 0.04 . 2 . . . . A 38 ILE HG12 . 30348 1 428 . 1 1 59 59 ILE HG13 H 1 1.010 0.04 . 2 . . . . A 38 ILE HG13 . 30348 1 429 . 1 1 59 59 ILE HG21 H 1 0.762 0.04 . 1 . . . . A 38 ILE HG21 . 30348 1 430 . 1 1 59 59 ILE HG22 H 1 0.762 0.04 . 1 . . . . A 38 ILE HG22 . 30348 1 431 . 1 1 59 59 ILE HG23 H 1 0.762 0.04 . 1 . . . . A 38 ILE HG23 . 30348 1 432 . 1 1 59 59 ILE HD11 H 1 0.689 0.04 . 1 . . . . A 38 ILE HD11 . 30348 1 433 . 1 1 59 59 ILE HD12 H 1 0.689 0.04 . 1 . . . . A 38 ILE HD12 . 30348 1 434 . 1 1 59 59 ILE HD13 H 1 0.689 0.04 . 1 . . . . A 38 ILE HD13 . 30348 1 435 . 1 1 59 59 ILE C C 13 174.327 0.40 . 1 . . . . A 38 ILE C . 30348 1 436 . 1 1 59 59 ILE CA C 13 58.431 0.40 . 1 . . . . A 38 ILE CA . 30348 1 437 . 1 1 59 59 ILE CB C 13 41.674 0.40 . 1 . . . . A 38 ILE CB . 30348 1 438 . 1 1 59 59 ILE CG1 C 13 27.742 0.40 . 1 . . . . A 38 ILE CG1 . 30348 1 439 . 1 1 59 59 ILE CG2 C 13 18.015 0.40 . 1 . . . . A 38 ILE CG2 . 30348 1 440 . 1 1 59 59 ILE CD1 C 13 14.587 0.40 . 1 . . . . A 38 ILE CD1 . 30348 1 441 . 1 1 59 59 ILE N N 15 122.684 0.40 . 1 . . . . A 38 ILE N . 30348 1 442 . 1 1 60 60 ARG H H 1 8.759 0.04 . 1 . . . . A 39 ARG H . 30348 1 443 . 1 1 60 60 ARG HA H 1 5.058 0.04 . 1 . . . . A 39 ARG HA . 30348 1 444 . 1 1 60 60 ARG HB2 H 1 1.803 0.04 . 2 . . . . A 39 ARG HB2 . 30348 1 445 . 1 1 60 60 ARG HB3 H 1 1.513 0.04 . 2 . . . . A 39 ARG HB3 . 30348 1 446 . 1 1 60 60 ARG HG2 H 1 1.632 0.04 . 2 . . . . A 39 ARG HG2 . 30348 1 447 . 1 1 60 60 ARG HG3 H 1 1.456 0.04 . 2 . . . . A 39 ARG HG3 . 30348 1 448 . 1 1 60 60 ARG HD2 H 1 3.187 0.04 . 2 . . . . A 39 ARG HD2 . 30348 1 449 . 1 1 60 60 ARG HD3 H 1 3.084 0.04 . 2 . . . . A 39 ARG HD3 . 30348 1 450 . 1 1 60 60 ARG C C 13 174.706 0.40 . 1 . . . . A 39 ARG C . 30348 1 451 . 1 1 60 60 ARG CA C 13 54.836 0.40 . 1 . . . . A 39 ARG CA . 30348 1 452 . 1 1 60 60 ARG CB C 13 32.516 0.40 . 1 . . . . A 39 ARG CB . 30348 1 453 . 1 1 60 60 ARG CG C 13 27.872 0.40 . 1 . . . . A 39 ARG CG . 30348 1 454 . 1 1 60 60 ARG CD C 13 43.370 0.40 . 1 . . . . A 39 ARG CD . 30348 1 455 . 1 1 60 60 ARG N N 15 126.954 0.40 . 1 . . . . A 39 ARG N . 30348 1 456 . 1 1 61 61 LEU H H 1 8.799 0.04 . 1 . . . . A 40 LEU H . 30348 1 457 . 1 1 61 61 LEU HA H 1 4.341 0.04 . 1 . . . . A 40 LEU HA . 30348 1 458 . 1 1 61 61 LEU HB2 H 1 1.479 0.04 . 2 . . . . A 40 LEU HB2 . 30348 1 459 . 1 1 61 61 LEU HB3 H 1 1.233 0.04 . 2 . . . . A 40 LEU HB3 . 30348 1 460 . 1 1 61 61 LEU HG H 1 1.381 0.04 . 1 . . . . A 40 LEU HG . 30348 1 461 . 1 1 61 61 LEU HD11 H 1 0.632 0.04 . 2 . . . . A 40 LEU HD11 . 30348 1 462 . 1 1 61 61 LEU HD12 H 1 0.632 0.04 . 2 . . . . A 40 LEU HD12 . 30348 1 463 . 1 1 61 61 LEU HD13 H 1 0.632 0.04 . 2 . . . . A 40 LEU HD13 . 30348 1 464 . 1 1 61 61 LEU HD21 H 1 0.388 0.04 . 2 . . . . A 40 LEU HD21 . 30348 1 465 . 1 1 61 61 LEU HD22 H 1 0.388 0.04 . 2 . . . . A 40 LEU HD22 . 30348 1 466 . 1 1 61 61 LEU HD23 H 1 0.388 0.04 . 2 . . . . A 40 LEU HD23 . 30348 1 467 . 1 1 61 61 LEU C C 13 176.331 0.40 . 1 . . . . A 40 LEU C . 30348 1 468 . 1 1 61 61 LEU CA C 13 52.938 0.40 . 1 . . . . A 40 LEU CA . 30348 1 469 . 1 1 61 61 LEU CB C 13 43.692 0.40 . 1 . . . . A 40 LEU CB . 30348 1 470 . 1 1 61 61 LEU CG C 13 25.929 0.40 . 1 . . . . A 40 LEU CG . 30348 1 471 . 1 1 61 61 LEU CD1 C 13 26.956 0.40 . 2 . . . . A 40 LEU CD1 . 30348 1 472 . 1 1 61 61 LEU CD2 C 13 26.376 0.40 . 2 . . . . A 40 LEU CD2 . 30348 1 473 . 1 1 61 61 LEU N N 15 128.884 0.40 . 1 . . . . A 40 LEU N . 30348 1 474 . 1 1 62 62 GLY H H 1 9.146 0.04 . 1 . . . . A 41 GLY H . 30348 1 475 . 1 1 62 62 GLY HA2 H 1 3.987 0.04 . 2 . . . . A 41 GLY HA2 . 30348 1 476 . 1 1 62 62 GLY HA3 H 1 3.565 0.04 . 2 . . . . A 41 GLY HA3 . 30348 1 477 . 1 1 62 62 GLY C C 13 174.575 0.40 . 1 . . . . A 41 GLY C . 30348 1 478 . 1 1 62 62 GLY CA C 13 46.877 0.40 . 1 . . . . A 41 GLY CA . 30348 1 479 . 1 1 62 62 GLY N N 15 116.474 0.40 . 1 . . . . A 41 GLY N . 30348 1 480 . 1 1 63 63 GLU H H 1 8.935 0.04 . 1 . . . . A 42 GLU H . 30348 1 481 . 1 1 63 63 GLU HA H 1 4.272 0.04 . 1 . . . . A 42 GLU HA . 30348 1 482 . 1 1 63 63 GLU HB2 H 1 2.187 0.04 . 2 . . . . A 42 GLU HB2 . 30348 1 483 . 1 1 63 63 GLU HB3 H 1 1.902 0.04 . 2 . . . . A 42 GLU HB3 . 30348 1 484 . 1 1 63 63 GLU HG2 H 1 2.300 0.04 . 2 . . . . A 42 GLU HG2 . 30348 1 485 . 1 1 63 63 GLU HG3 H 1 2.246 0.04 . 2 . . . . A 42 GLU HG3 . 30348 1 486 . 1 1 63 63 GLU C C 13 176.061 0.40 . 1 . . . . A 42 GLU C . 30348 1 487 . 1 1 63 63 GLU CA C 13 56.565 0.40 . 1 . . . . A 42 GLU CA . 30348 1 488 . 1 1 63 63 GLU CB C 13 30.010 0.40 . 1 . . . . A 42 GLU CB . 30348 1 489 . 1 1 63 63 GLU CG C 13 36.258 0.40 . 1 . . . . A 42 GLU CG . 30348 1 490 . 1 1 63 63 GLU N N 15 127.179 0.40 . 1 . . . . A 42 GLU N . 30348 1 491 . 1 1 64 64 LEU H H 1 7.855 0.04 . 1 . . . . A 43 LEU H . 30348 1 492 . 1 1 64 64 LEU HA H 1 4.601 0.04 . 1 . . . . A 43 LEU HA . 30348 1 493 . 1 1 64 64 LEU HB2 H 1 2.117 0.04 . 2 . . . . A 43 LEU HB2 . 30348 1 494 . 1 1 64 64 LEU HB3 H 1 1.323 0.04 . 2 . . . . A 43 LEU HB3 . 30348 1 495 . 1 1 64 64 LEU HG H 1 1.849 0.04 . 1 . . . . A 43 LEU HG . 30348 1 496 . 1 1 64 64 LEU HD11 H 1 1.001 0.04 . 2 . . . . A 43 LEU HD11 . 30348 1 497 . 1 1 64 64 LEU HD12 H 1 1.001 0.04 . 2 . . . . A 43 LEU HD12 . 30348 1 498 . 1 1 64 64 LEU HD13 H 1 1.001 0.04 . 2 . . . . A 43 LEU HD13 . 30348 1 499 . 1 1 64 64 LEU HD21 H 1 0.903 0.04 . 2 . . . . A 43 LEU HD21 . 30348 1 500 . 1 1 64 64 LEU HD22 H 1 0.903 0.04 . 2 . . . . A 43 LEU HD22 . 30348 1 501 . 1 1 64 64 LEU HD23 H 1 0.903 0.04 . 2 . . . . A 43 LEU HD23 . 30348 1 502 . 1 1 64 64 LEU C C 13 175.712 0.40 . 1 . . . . A 43 LEU C . 30348 1 503 . 1 1 64 64 LEU CA C 13 54.422 0.40 . 1 . . . . A 43 LEU CA . 30348 1 504 . 1 1 64 64 LEU CB C 13 43.440 0.40 . 1 . . . . A 43 LEU CB . 30348 1 505 . 1 1 64 64 LEU CG C 13 27.151 0.40 . 1 . . . . A 43 LEU CG . 30348 1 506 . 1 1 64 64 LEU CD1 C 13 25.691 0.40 . 2 . . . . A 43 LEU CD1 . 30348 1 507 . 1 1 64 64 LEU CD2 C 13 24.405 0.40 . 2 . . . . A 43 LEU CD2 . 30348 1 508 . 1 1 64 64 LEU N N 15 120.319 0.40 . 1 . . . . A 43 LEU N . 30348 1 509 . 1 1 65 65 MET H H 1 8.775 0.04 . 1 . . . . A 44 MET H . 30348 1 510 . 1 1 65 65 MET HA H 1 5.373 0.04 . 1 . . . . A 44 MET HA . 30348 1 511 . 1 1 65 65 MET HB2 H 1 2.017 0.04 . 2 . . . . A 44 MET HB2 . 30348 1 512 . 1 1 65 65 MET HB3 H 1 1.948 0.04 . 2 . . . . A 44 MET HB3 . 30348 1 513 . 1 1 65 65 MET HG2 H 1 2.519 0.04 . 2 . . . . A 44 MET HG2 . 30348 1 514 . 1 1 65 65 MET HG3 H 1 2.424 0.04 . 2 . . . . A 44 MET HG3 . 30348 1 515 . 1 1 65 65 MET C C 13 175.231 0.40 . 1 . . . . A 44 MET C . 30348 1 516 . 1 1 65 65 MET CA C 13 53.559 0.40 . 1 . . . . A 44 MET CA . 30348 1 517 . 1 1 65 65 MET CB C 13 33.989 0.40 . 1 . . . . A 44 MET CB . 30348 1 518 . 1 1 65 65 MET CG C 13 31.916 0.40 . 1 . . . . A 44 MET CG . 30348 1 519 . 1 1 65 65 MET N N 15 121.403 0.40 . 1 . . . . A 44 MET N . 30348 1 520 . 1 1 66 66 VAL H H 1 9.081 0.04 . 1 . . . . A 45 VAL H . 30348 1 521 . 1 1 66 66 VAL HA H 1 4.807 0.04 . 1 . . . . A 45 VAL HA . 30348 1 522 . 1 1 66 66 VAL HB H 1 1.873 0.04 . 1 . . . . A 45 VAL HB . 30348 1 523 . 1 1 66 66 VAL HG11 H 1 0.798 0.04 . 2 . . . . A 45 VAL HG11 . 30348 1 524 . 1 1 66 66 VAL HG12 H 1 0.798 0.04 . 2 . . . . A 45 VAL HG12 . 30348 1 525 . 1 1 66 66 VAL HG13 H 1 0.798 0.04 . 2 . . . . A 45 VAL HG13 . 30348 1 526 . 1 1 66 66 VAL C C 13 174.548 0.40 . 1 . . . . A 45 VAL C . 30348 1 527 . 1 1 66 66 VAL CA C 13 59.848 0.40 . 1 . . . . A 45 VAL CA . 30348 1 528 . 1 1 66 66 VAL CB C 13 35.524 0.40 . 1 . . . . A 45 VAL CB . 30348 1 529 . 1 1 66 66 VAL CG1 C 13 21.567 0.40 . 2 . . . . A 45 VAL CG1 . 30348 1 530 . 1 1 66 66 VAL N N 15 123.660 0.40 . 1 . . . . A 45 VAL N . 30348 1 531 . 1 1 67 67 SER H H 1 8.863 0.04 . 1 . . . . A 46 SER H . 30348 1 532 . 1 1 67 67 SER HA H 1 5.489 0.04 . 1 . . . . A 46 SER HA . 30348 1 533 . 1 1 67 67 SER HB2 H 1 3.709 0.04 . 2 . . . . A 46 SER HB2 . 30348 1 534 . 1 1 67 67 SER HB3 H 1 3.709 0.04 . 2 . . . . A 46 SER HB3 . 30348 1 535 . 1 1 67 67 SER C C 13 173.837 0.40 . 1 . . . . A 46 SER C . 30348 1 536 . 1 1 67 67 SER CA C 13 56.856 0.40 . 1 . . . . A 46 SER CA . 30348 1 537 . 1 1 67 67 SER CB C 13 64.787 0.40 . 1 . . . . A 46 SER CB . 30348 1 538 . 1 1 67 67 SER N N 15 120.414 0.40 . 1 . . . . A 46 SER N . 30348 1 539 . 1 1 68 68 ILE H H 1 9.235 0.04 . 1 . . . . A 47 ILE H . 30348 1 540 . 1 1 68 68 ILE HA H 1 5.049 0.04 . 1 . . . . A 47 ILE HA . 30348 1 541 . 1 1 68 68 ILE HB H 1 1.866 0.04 . 1 . . . . A 47 ILE HB . 30348 1 542 . 1 1 68 68 ILE HG12 H 1 1.342 0.04 . 2 . . . . A 47 ILE HG12 . 30348 1 543 . 1 1 68 68 ILE HG13 H 1 1.082 0.04 . 2 . . . . A 47 ILE HG13 . 30348 1 544 . 1 1 68 68 ILE HG21 H 1 0.715 0.04 . 1 . . . . A 47 ILE HG21 . 30348 1 545 . 1 1 68 68 ILE HG22 H 1 0.715 0.04 . 1 . . . . A 47 ILE HG22 . 30348 1 546 . 1 1 68 68 ILE HG23 H 1 0.715 0.04 . 1 . . . . A 47 ILE HG23 . 30348 1 547 . 1 1 68 68 ILE HD11 H 1 0.592 0.04 . 1 . . . . A 47 ILE HD11 . 30348 1 548 . 1 1 68 68 ILE HD12 H 1 0.592 0.04 . 1 . . . . A 47 ILE HD12 . 30348 1 549 . 1 1 68 68 ILE HD13 H 1 0.592 0.04 . 1 . . . . A 47 ILE HD13 . 30348 1 550 . 1 1 68 68 ILE C C 13 174.411 0.40 . 1 . . . . A 47 ILE C . 30348 1 551 . 1 1 68 68 ILE CA C 13 57.819 0.40 . 1 . . . . A 47 ILE CA . 30348 1 552 . 1 1 68 68 ILE CB C 13 37.850 0.40 . 1 . . . . A 47 ILE CB . 30348 1 553 . 1 1 68 68 ILE CG1 C 13 26.665 0.40 . 1 . . . . A 47 ILE CG1 . 30348 1 554 . 1 1 68 68 ILE CG2 C 13 17.757 0.40 . 1 . . . . A 47 ILE CG2 . 30348 1 555 . 1 1 68 68 ILE CD1 C 13 9.991 0.40 . 1 . . . . A 47 ILE CD1 . 30348 1 556 . 1 1 68 68 ILE N N 15 125.090 0.40 . 1 . . . . A 47 ILE N . 30348 1 557 . 1 1 69 69 ARG H H 1 9.063 0.04 . 1 . . . . A 48 ARG H . 30348 1 558 . 1 1 69 69 ARG HA H 1 5.181 0.04 . 1 . . . . A 48 ARG HA . 30348 1 559 . 1 1 69 69 ARG HB2 H 1 1.987 0.04 . 2 . . . . A 48 ARG HB2 . 30348 1 560 . 1 1 69 69 ARG HB3 H 1 1.680 0.04 . 2 . . . . A 48 ARG HB3 . 30348 1 561 . 1 1 69 69 ARG HG2 H 1 1.943 0.04 . 2 . . . . A 48 ARG HG2 . 30348 1 562 . 1 1 69 69 ARG HG3 H 1 1.672 0.04 . 2 . . . . A 48 ARG HG3 . 30348 1 563 . 1 1 69 69 ARG HD2 H 1 3.238 0.04 . 2 . . . . A 48 ARG HD2 . 30348 1 564 . 1 1 69 69 ARG HD3 H 1 3.238 0.04 . 2 . . . . A 48 ARG HD3 . 30348 1 565 . 1 1 69 69 ARG CA C 13 53.095 0.40 . 1 . . . . A 48 ARG CA . 30348 1 566 . 1 1 69 69 ARG CB C 13 33.019 0.40 . 1 . . . . A 48 ARG CB . 30348 1 567 . 1 1 69 69 ARG CG C 13 27.771 0.40 . 1 . . . . A 48 ARG CG . 30348 1 568 . 1 1 69 69 ARG CD C 13 43.473 0.40 . 1 . . . . A 48 ARG CD . 30348 1 569 . 1 1 69 69 ARG N N 15 124.759 0.40 . 1 . . . . A 48 ARG N . 30348 1 570 . 1 1 70 70 PRO HA H 1 4.620 0.04 . 1 . . . . A 49 PRO HA . 30348 1 571 . 1 1 70 70 PRO HB2 H 1 2.304 0.04 . 2 . . . . A 49 PRO HB2 . 30348 1 572 . 1 1 70 70 PRO HB3 H 1 1.968 0.04 . 2 . . . . A 49 PRO HB3 . 30348 1 573 . 1 1 70 70 PRO HG2 H 1 2.050 0.04 . 2 . . . . A 49 PRO HG2 . 30348 1 574 . 1 1 70 70 PRO HG3 H 1 2.253 0.04 . 2 . . . . A 49 PRO HG3 . 30348 1 575 . 1 1 70 70 PRO HD2 H 1 3.810 0.04 . 2 . . . . A 49 PRO HD2 . 30348 1 576 . 1 1 70 70 PRO HD3 H 1 3.888 0.04 . 2 . . . . A 49 PRO HD3 . 30348 1 577 . 1 1 70 70 PRO C C 13 177.869 0.40 . 1 . . . . A 49 PRO C . 30348 1 578 . 1 1 70 70 PRO CA C 13 62.882 0.40 . 1 . . . . A 49 PRO CA . 30348 1 579 . 1 1 70 70 PRO CB C 13 32.112 0.40 . 1 . . . . A 49 PRO CB . 30348 1 580 . 1 1 70 70 PRO CG C 13 27.803 0.40 . 1 . . . . A 49 PRO CG . 30348 1 581 . 1 1 70 70 PRO CD C 13 51.100 0.40 . 1 . . . . A 49 PRO CD . 30348 1 582 . 1 1 71 71 MET H H 1 8.152 0.04 . 1 . . . . A 50 MET H . 30348 1 583 . 1 1 71 71 MET N N 15 119.727 0.40 . 1 . . . . A 50 MET N . 30348 1 584 . 1 1 72 72 GLN HA H 1 4.104 0.04 . 1 . . . . A 51 GLN HA . 30348 1 585 . 1 1 72 72 GLN HB2 H 1 2.163 0.04 . 2 . . . . A 51 GLN HB2 . 30348 1 586 . 1 1 72 72 GLN HB3 H 1 2.029 0.04 . 2 . . . . A 51 GLN HB3 . 30348 1 587 . 1 1 72 72 GLN HG2 H 1 2.436 0.04 . 2 . . . . A 51 GLN HG2 . 30348 1 588 . 1 1 72 72 GLN HG3 H 1 2.378 0.04 . 2 . . . . A 51 GLN HG3 . 30348 1 589 . 1 1 72 72 GLN C C 13 175.857 0.40 . 1 . . . . A 51 GLN C . 30348 1 590 . 1 1 72 72 GLN CA C 13 57.564 0.40 . 1 . . . . A 51 GLN CA . 30348 1 591 . 1 1 72 72 GLN CB C 13 28.291 0.40 . 1 . . . . A 51 GLN CB . 30348 1 592 . 1 1 72 72 GLN CG C 13 34.177 0.40 . 1 . . . . A 51 GLN CG . 30348 1 593 . 1 1 73 73 VAL H H 1 6.498 0.04 . 1 . . . . A 52 VAL H . 30348 1 594 . 1 1 73 73 VAL HA H 1 4.042 0.04 . 1 . . . . A 52 VAL HA . 30348 1 595 . 1 1 73 73 VAL HB H 1 1.799 0.04 . 1 . . . . A 52 VAL HB . 30348 1 596 . 1 1 73 73 VAL HG11 H 1 0.901 0.04 . 2 . . . . A 52 VAL HG11 . 30348 1 597 . 1 1 73 73 VAL HG12 H 1 0.901 0.04 . 2 . . . . A 52 VAL HG12 . 30348 1 598 . 1 1 73 73 VAL HG13 H 1 0.901 0.04 . 2 . . . . A 52 VAL HG13 . 30348 1 599 . 1 1 73 73 VAL HG21 H 1 0.794 0.04 . 2 . . . . A 52 VAL HG21 . 30348 1 600 . 1 1 73 73 VAL HG22 H 1 0.794 0.04 . 2 . . . . A 52 VAL HG22 . 30348 1 601 . 1 1 73 73 VAL HG23 H 1 0.794 0.04 . 2 . . . . A 52 VAL HG23 . 30348 1 602 . 1 1 73 73 VAL CA C 13 60.985 0.40 . 1 . . . . A 52 VAL CA . 30348 1 603 . 1 1 73 73 VAL CB C 13 32.171 0.40 . 1 . . . . A 52 VAL CB . 30348 1 604 . 1 1 73 73 VAL CG1 C 13 21.713 0.40 . 2 . . . . A 52 VAL CG1 . 30348 1 605 . 1 1 73 73 VAL CG2 C 13 20.492 0.40 . 2 . . . . A 52 VAL CG2 . 30348 1 606 . 1 1 73 73 VAL N N 15 117.037 0.40 . 1 . . . . A 52 VAL N . 30348 1 607 . 1 1 74 74 ASN HA H 1 4.350 0.04 . 1 . . . . A 53 ASN HA . 30348 1 608 . 1 1 74 74 ASN HB2 H 1 2.742 0.04 . 2 . . . . A 53 ASN HB2 . 30348 1 609 . 1 1 74 74 ASN HB3 H 1 2.676 0.04 . 2 . . . . A 53 ASN HB3 . 30348 1 610 . 1 1 74 74 ASN CA C 13 55.469 0.40 . 1 . . . . A 53 ASN CA . 30348 1 611 . 1 1 74 74 ASN CB C 13 38.788 0.40 . 1 . . . . A 53 ASN CB . 30348 1 612 . 1 1 75 75 GLY H H 1 8.154 0.04 . 1 . . . . A 54 GLY H . 30348 1 613 . 1 1 75 75 GLY HA2 H 1 3.934 0.04 . 2 . . . . A 54 GLY HA2 . 30348 1 614 . 1 1 75 75 GLY HA3 H 1 3.340 0.04 . 2 . . . . A 54 GLY HA3 . 30348 1 615 . 1 1 75 75 GLY C C 13 172.610 0.40 . 1 . . . . A 54 GLY C . 30348 1 616 . 1 1 75 75 GLY CA C 13 44.651 0.40 . 1 . . . . A 54 GLY CA . 30348 1 617 . 1 1 75 75 GLY N N 15 110.811 0.40 . 1 . . . . A 54 GLY N . 30348 1 618 . 1 1 76 76 TYR H H 1 7.148 0.04 . 1 . . . . A 55 TYR H . 30348 1 619 . 1 1 76 76 TYR HA H 1 4.804 0.04 . 1 . . . . A 55 TYR HA . 30348 1 620 . 1 1 76 76 TYR HB2 H 1 2.868 0.04 . 2 . . . . A 55 TYR HB2 . 30348 1 621 . 1 1 76 76 TYR HB3 H 1 2.621 0.04 . 2 . . . . A 55 TYR HB3 . 30348 1 622 . 1 1 76 76 TYR HD1 H 1 6.786 0.04 . 3 . . . . A 55 TYR HD1 . 30348 1 623 . 1 1 76 76 TYR HD2 H 1 6.786 0.04 . 3 . . . . A 55 TYR HD2 . 30348 1 624 . 1 1 76 76 TYR HE1 H 1 6.932 0.04 . 3 . . . . A 55 TYR HE1 . 30348 1 625 . 1 1 76 76 TYR HE2 H 1 6.932 0.04 . 3 . . . . A 55 TYR HE2 . 30348 1 626 . 1 1 76 76 TYR C C 13 175.468 0.40 . 1 . . . . A 55 TYR C . 30348 1 627 . 1 1 76 76 TYR CA C 13 57.007 0.40 . 1 . . . . A 55 TYR CA . 30348 1 628 . 1 1 76 76 TYR CB C 13 42.629 0.40 . 1 . . . . A 55 TYR CB . 30348 1 629 . 1 1 76 76 TYR CD1 C 13 133.869 0.40 . 3 . . . . A 55 TYR CD1 . 30348 1 630 . 1 1 76 76 TYR CE1 C 13 118.042 0.40 . 3 . . . . A 55 TYR CE1 . 30348 1 631 . 1 1 76 76 TYR N N 15 116.889 0.40 . 1 . . . . A 55 TYR N . 30348 1 632 . 1 1 77 77 PHE H H 1 10.216 0.04 . 1 . . . . A 56 PHE H . 30348 1 633 . 1 1 77 77 PHE HA H 1 5.007 0.04 . 1 . . . . A 56 PHE HA . 30348 1 634 . 1 1 77 77 PHE HB2 H 1 2.853 0.04 . 2 . . . . A 56 PHE HB2 . 30348 1 635 . 1 1 77 77 PHE HB3 H 1 2.641 0.04 . 2 . . . . A 56 PHE HB3 . 30348 1 636 . 1 1 77 77 PHE HD1 H 1 7.804 0.04 . 3 . . . . A 56 PHE HD1 . 30348 1 637 . 1 1 77 77 PHE HD2 H 1 7.804 0.04 . 3 . . . . A 56 PHE HD2 . 30348 1 638 . 1 1 77 77 PHE HE1 H 1 7.636 0.04 . 3 . . . . A 56 PHE HE1 . 30348 1 639 . 1 1 77 77 PHE HE2 H 1 7.636 0.04 . 3 . . . . A 56 PHE HE2 . 30348 1 640 . 1 1 77 77 PHE C C 13 173.173 0.40 . 1 . . . . A 56 PHE C . 30348 1 641 . 1 1 77 77 PHE CA C 13 57.773 0.40 . 1 . . . . A 56 PHE CA . 30348 1 642 . 1 1 77 77 PHE CB C 13 42.959 0.40 . 1 . . . . A 56 PHE CB . 30348 1 643 . 1 1 77 77 PHE CD1 C 13 130.428 0.40 . 3 . . . . A 56 PHE CD1 . 30348 1 644 . 1 1 77 77 PHE CE1 C 13 132.045 0.40 . 3 . . . . A 56 PHE CE1 . 30348 1 645 . 1 1 77 77 PHE N N 15 122.039 0.40 . 1 . . . . A 56 PHE N . 30348 1 646 . 1 1 78 78 MET H H 1 9.164 0.04 . 1 . . . . A 57 MET H . 30348 1 647 . 1 1 78 78 MET HA H 1 5.365 0.04 . 1 . . . . A 57 MET HA . 30348 1 648 . 1 1 78 78 MET HB2 H 1 2.161 0.04 . 2 . . . . A 57 MET HB2 . 30348 1 649 . 1 1 78 78 MET HB3 H 1 1.960 0.04 . 2 . . . . A 57 MET HB3 . 30348 1 650 . 1 1 78 78 MET HG2 H 1 2.637 0.04 . 2 . . . . A 57 MET HG2 . 30348 1 651 . 1 1 78 78 MET HG3 H 1 2.430 0.04 . 2 . . . . A 57 MET HG3 . 30348 1 652 . 1 1 78 78 MET HE1 H 1 2.066 0.04 . 1 . . . . A 57 MET HE1 . 30348 1 653 . 1 1 78 78 MET HE2 H 1 2.066 0.04 . 1 . . . . A 57 MET HE2 . 30348 1 654 . 1 1 78 78 MET HE3 H 1 2.066 0.04 . 1 . . . . A 57 MET HE3 . 30348 1 655 . 1 1 78 78 MET C C 13 175.498 0.40 . 1 . . . . A 57 MET C . 30348 1 656 . 1 1 78 78 MET CA C 13 53.064 0.40 . 1 . . . . A 57 MET CA . 30348 1 657 . 1 1 78 78 MET CB C 13 36.599 0.40 . 1 . . . . A 57 MET CB . 30348 1 658 . 1 1 78 78 MET CG C 13 30.681 0.40 . 1 . . . . A 57 MET CG . 30348 1 659 . 1 1 78 78 MET CE C 13 16.787 0.40 . 1 . . . . A 57 MET CE . 30348 1 660 . 1 1 78 78 MET N N 15 116.061 0.40 . 1 . . . . A 57 MET N . 30348 1 661 . 1 1 79 79 GLY H H 1 10.459 0.04 . 1 . . . . A 58 GLY H . 30348 1 662 . 1 1 79 79 GLY HA2 H 1 5.801 0.04 . 2 . . . . A 58 GLY HA2 . 30348 1 663 . 1 1 79 79 GLY HA3 H 1 3.301 0.04 . 2 . . . . A 58 GLY HA3 . 30348 1 664 . 1 1 79 79 GLY C C 13 172.806 0.40 . 1 . . . . A 58 GLY C . 30348 1 665 . 1 1 79 79 GLY CA C 13 43.840 0.40 . 1 . . . . A 58 GLY CA . 30348 1 666 . 1 1 79 79 GLY N N 15 113.275 0.40 . 1 . . . . A 58 GLY N . 30348 1 667 . 1 1 80 80 SER H H 1 9.040 0.04 . 1 . . . . A 59 SER H . 30348 1 668 . 1 1 80 80 SER HA H 1 4.739 0.04 . 1 . . . . A 59 SER HA . 30348 1 669 . 1 1 80 80 SER HB2 H 1 3.789 0.04 . 2 . . . . A 59 SER HB2 . 30348 1 670 . 1 1 80 80 SER HB3 H 1 3.789 0.04 . 2 . . . . A 59 SER HB3 . 30348 1 671 . 1 1 80 80 SER C C 13 172.397 0.40 . 1 . . . . A 59 SER C . 30348 1 672 . 1 1 80 80 SER CA C 13 57.533 0.40 . 1 . . . . A 59 SER CA . 30348 1 673 . 1 1 80 80 SER CB C 13 65.594 0.40 . 1 . . . . A 59 SER CB . 30348 1 674 . 1 1 80 80 SER N N 15 114.253 0.40 . 1 . . . . A 59 SER N . 30348 1 675 . 1 1 81 81 LEU H H 1 8.800 0.04 . 1 . . . . A 60 LEU H . 30348 1 676 . 1 1 81 81 LEU HA H 1 4.715 0.04 . 1 . . . . A 60 LEU HA . 30348 1 677 . 1 1 81 81 LEU HB2 H 1 1.813 0.04 . 2 . . . . A 60 LEU HB2 . 30348 1 678 . 1 1 81 81 LEU HB3 H 1 1.476 0.04 . 2 . . . . A 60 LEU HB3 . 30348 1 679 . 1 1 81 81 LEU HG H 1 1.469 0.04 . 1 . . . . A 60 LEU HG . 30348 1 680 . 1 1 81 81 LEU HD11 H 1 0.923 0.04 . 2 . . . . A 60 LEU HD11 . 30348 1 681 . 1 1 81 81 LEU HD12 H 1 0.923 0.04 . 2 . . . . A 60 LEU HD12 . 30348 1 682 . 1 1 81 81 LEU HD13 H 1 0.923 0.04 . 2 . . . . A 60 LEU HD13 . 30348 1 683 . 1 1 81 81 LEU HD21 H 1 0.963 0.04 . 2 . . . . A 60 LEU HD21 . 30348 1 684 . 1 1 81 81 LEU HD22 H 1 0.963 0.04 . 2 . . . . A 60 LEU HD22 . 30348 1 685 . 1 1 81 81 LEU HD23 H 1 0.963 0.04 . 2 . . . . A 60 LEU HD23 . 30348 1 686 . 1 1 81 81 LEU C C 13 176.118 0.40 . 1 . . . . A 60 LEU C . 30348 1 687 . 1 1 81 81 LEU CA C 13 53.828 0.40 . 1 . . . . A 60 LEU CA . 30348 1 688 . 1 1 81 81 LEU CB C 13 44.352 0.40 . 1 . . . . A 60 LEU CB . 30348 1 689 . 1 1 81 81 LEU CG C 13 26.731 0.40 . 1 . . . . A 60 LEU CG . 30348 1 690 . 1 1 81 81 LEU CD1 C 13 26.882 0.40 . 2 . . . . A 60 LEU CD1 . 30348 1 691 . 1 1 81 81 LEU CD2 C 13 24.715 0.40 . 2 . . . . A 60 LEU CD2 . 30348 1 692 . 1 1 81 81 LEU N N 15 124.765 0.40 . 1 . . . . A 60 LEU N . 30348 1 693 . 1 1 82 82 ASN H H 1 8.485 0.04 . 1 . . . . A 61 ASN H . 30348 1 694 . 1 1 82 82 ASN HA H 1 4.814 0.04 . 1 . . . . A 61 ASN HA . 30348 1 695 . 1 1 82 82 ASN HB2 H 1 3.022 0.04 . 2 . . . . A 61 ASN HB2 . 30348 1 696 . 1 1 82 82 ASN HB3 H 1 2.759 0.04 . 2 . . . . A 61 ASN HB3 . 30348 1 697 . 1 1 82 82 ASN C C 13 175.481 0.40 . 1 . . . . A 61 ASN C . 30348 1 698 . 1 1 82 82 ASN CA C 13 52.965 0.40 . 1 . . . . A 61 ASN CA . 30348 1 699 . 1 1 82 82 ASN CB C 13 37.839 0.40 . 1 . . . . A 61 ASN CB . 30348 1 700 . 1 1 82 82 ASN N N 15 123.742 0.40 . 1 . . . . A 61 ASN N . 30348 1 701 . 1 1 83 83 GLN H H 1 8.537 0.04 . 1 . . . . A 62 GLN H . 30348 1 702 . 1 1 83 83 GLN HA H 1 4.198 0.04 . 1 . . . . A 62 GLN HA . 30348 1 703 . 1 1 83 83 GLN HB2 H 1 2.010 0.04 . 2 . . . . A 62 GLN HB2 . 30348 1 704 . 1 1 83 83 GLN HB3 H 1 2.211 0.04 . 2 . . . . A 62 GLN HB3 . 30348 1 705 . 1 1 83 83 GLN HG2 H 1 2.499 0.04 . 2 . . . . A 62 GLN HG2 . 30348 1 706 . 1 1 83 83 GLN HG3 H 1 2.165 0.04 . 2 . . . . A 62 GLN HG3 . 30348 1 707 . 1 1 83 83 GLN C C 13 176.237 0.40 . 1 . . . . A 62 GLN C . 30348 1 708 . 1 1 83 83 GLN CA C 13 56.654 0.40 . 1 . . . . A 62 GLN CA . 30348 1 709 . 1 1 83 83 GLN CB C 13 29.166 0.40 . 1 . . . . A 62 GLN CB . 30348 1 710 . 1 1 83 83 GLN CG C 13 34.498 0.40 . 1 . . . . A 62 GLN CG . 30348 1 711 . 1 1 83 83 GLN N N 15 122.806 0.40 . 1 . . . . A 62 GLN N . 30348 1 712 . 1 1 84 84 ASP H H 1 8.123 0.04 . 1 . . . . A 63 ASP H . 30348 1 713 . 1 1 84 84 ASP HA H 1 4.435 0.04 . 1 . . . . A 63 ASP HA . 30348 1 714 . 1 1 84 84 ASP HB2 H 1 2.660 0.04 . 2 . . . . A 63 ASP HB2 . 30348 1 715 . 1 1 84 84 ASP HB3 H 1 2.640 0.04 . 2 . . . . A 63 ASP HB3 . 30348 1 716 . 1 1 84 84 ASP C C 13 177.141 0.40 . 1 . . . . A 63 ASP C . 30348 1 717 . 1 1 84 84 ASP CA C 13 55.868 0.40 . 1 . . . . A 63 ASP CA . 30348 1 718 . 1 1 84 84 ASP CB C 13 40.703 0.40 . 1 . . . . A 63 ASP CB . 30348 1 719 . 1 1 84 84 ASP N N 15 121.653 0.40 . 1 . . . . A 63 ASP N . 30348 1 720 . 1 1 85 85 GLY H H 1 8.710 0.04 . 1 . . . . A 64 GLY H . 30348 1 721 . 1 1 85 85 GLY HA2 H 1 4.062 0.04 . 2 . . . . A 64 GLY HA2 . 30348 1 722 . 1 1 85 85 GLY HA3 H 1 3.789 0.04 . 2 . . . . A 64 GLY HA3 . 30348 1 723 . 1 1 85 85 GLY C C 13 174.559 0.40 . 1 . . . . A 64 GLY C . 30348 1 724 . 1 1 85 85 GLY CA C 13 45.809 0.40 . 1 . . . . A 64 GLY CA . 30348 1 725 . 1 1 85 85 GLY N N 15 112.022 0.40 . 1 . . . . A 64 GLY N . 30348 1 726 . 1 1 86 86 LEU H H 1 7.590 0.04 . 1 . . . . A 65 LEU H . 30348 1 727 . 1 1 86 86 LEU HA H 1 4.591 0.04 . 1 . . . . A 65 LEU HA . 30348 1 728 . 1 1 86 86 LEU HB2 H 1 1.813 0.04 . 2 . . . . A 65 LEU HB2 . 30348 1 729 . 1 1 86 86 LEU HB3 H 1 1.496 0.04 . 2 . . . . A 65 LEU HB3 . 30348 1 730 . 1 1 86 86 LEU HG H 1 1.594 0.04 . 1 . . . . A 65 LEU HG . 30348 1 731 . 1 1 86 86 LEU HD11 H 1 0.916 0.04 . 2 . . . . A 65 LEU HD11 . 30348 1 732 . 1 1 86 86 LEU HD12 H 1 0.916 0.04 . 2 . . . . A 65 LEU HD12 . 30348 1 733 . 1 1 86 86 LEU HD13 H 1 0.916 0.04 . 2 . . . . A 65 LEU HD13 . 30348 1 734 . 1 1 86 86 LEU HD21 H 1 0.857 0.04 . 2 . . . . A 65 LEU HD21 . 30348 1 735 . 1 1 86 86 LEU HD22 H 1 0.857 0.04 . 2 . . . . A 65 LEU HD22 . 30348 1 736 . 1 1 86 86 LEU HD23 H 1 0.857 0.04 . 2 . . . . A 65 LEU HD23 . 30348 1 737 . 1 1 86 86 LEU C C 13 177.568 0.40 . 1 . . . . A 65 LEU C . 30348 1 738 . 1 1 86 86 LEU CA C 13 54.240 0.40 . 1 . . . . A 65 LEU CA . 30348 1 739 . 1 1 86 86 LEU CB C 13 44.004 0.40 . 1 . . . . A 65 LEU CB . 30348 1 740 . 1 1 86 86 LEU CG C 13 26.753 0.40 . 1 . . . . A 65 LEU CG . 30348 1 741 . 1 1 86 86 LEU CD1 C 13 26.795 0.40 . 2 . . . . A 65 LEU CD1 . 30348 1 742 . 1 1 86 86 LEU CD2 C 13 22.993 0.40 . 2 . . . . A 65 LEU CD2 . 30348 1 743 . 1 1 86 86 LEU N N 15 119.852 0.40 . 1 . . . . A 65 LEU N . 30348 1 744 . 1 1 87 87 SER H H 1 8.647 0.04 . 1 . . . . A 66 SER H . 30348 1 745 . 1 1 87 87 SER HA H 1 4.534 0.04 . 1 . . . . A 66 SER HA . 30348 1 746 . 1 1 87 87 SER HB2 H 1 4.053 0.04 . 2 . . . . A 66 SER HB2 . 30348 1 747 . 1 1 87 87 SER HB3 H 1 4.337 0.04 . 2 . . . . A 66 SER HB3 . 30348 1 748 . 1 1 87 87 SER CA C 13 56.394 0.40 . 1 . . . . A 66 SER CA . 30348 1 749 . 1 1 87 87 SER CB C 13 64.908 0.40 . 1 . . . . A 66 SER CB . 30348 1 750 . 1 1 87 87 SER N N 15 117.211 0.40 . 1 . . . . A 66 SER N . 30348 1 751 . 1 1 88 88 ASN HA H 1 4.352 0.04 . 1 . . . . A 67 ASN HA . 30348 1 752 . 1 1 88 88 ASN C C 13 176.366 0.40 . 1 . . . . A 67 ASN C . 30348 1 753 . 1 1 88 88 ASN CA C 13 55.389 0.40 . 1 . . . . A 67 ASN CA . 30348 1 754 . 1 1 89 89 ASP H H 1 7.640 0.04 . 1 . . . . A 68 ASP H . 30348 1 755 . 1 1 89 89 ASP HA H 1 4.369 0.04 . 1 . . . . A 68 ASP HA . 30348 1 756 . 1 1 89 89 ASP HB2 H 1 2.645 0.04 . 2 . . . . A 68 ASP HB2 . 30348 1 757 . 1 1 89 89 ASP HB3 H 1 2.486 0.04 . 2 . . . . A 68 ASP HB3 . 30348 1 758 . 1 1 89 89 ASP C C 13 178.214 0.40 . 1 . . . . A 68 ASP C . 30348 1 759 . 1 1 89 89 ASP CA C 13 56.960 0.40 . 1 . . . . A 68 ASP CA . 30348 1 760 . 1 1 89 89 ASP CB C 13 40.069 0.40 . 1 . . . . A 68 ASP CB . 30348 1 761 . 1 1 89 89 ASP N N 15 127.890 0.40 . 1 . . . . A 68 ASP N . 30348 1 762 . 1 1 90 90 ASN H H 1 7.634 0.04 . 1 . . . . A 69 ASN H . 30348 1 763 . 1 1 90 90 ASN HA H 1 4.795 0.04 . 1 . . . . A 69 ASN HA . 30348 1 764 . 1 1 90 90 ASN HB2 H 1 2.940 0.04 . 2 . . . . A 69 ASN HB2 . 30348 1 765 . 1 1 90 90 ASN HB3 H 1 2.634 0.04 . 2 . . . . A 69 ASN HB3 . 30348 1 766 . 1 1 90 90 ASN C C 13 177.602 0.40 . 1 . . . . A 69 ASN C . 30348 1 767 . 1 1 90 90 ASN CA C 13 55.023 0.40 . 1 . . . . A 69 ASN CA . 30348 1 768 . 1 1 90 90 ASN CB C 13 38.766 0.40 . 1 . . . . A 69 ASN CB . 30348 1 769 . 1 1 90 90 ASN N N 15 118.224 0.40 . 1 . . . . A 69 ASN N . 30348 1 770 . 1 1 91 91 ILE H H 1 8.204 0.04 . 1 . . . . A 70 ILE H . 30348 1 771 . 1 1 91 91 ILE HA H 1 3.561 0.04 . 1 . . . . A 70 ILE HA . 30348 1 772 . 1 1 91 91 ILE HB H 1 1.929 0.04 . 1 . . . . A 70 ILE HB . 30348 1 773 . 1 1 91 91 ILE HG12 H 1 1.832 0.04 . 2 . . . . A 70 ILE HG12 . 30348 1 774 . 1 1 91 91 ILE HG13 H 1 0.796 0.04 . 2 . . . . A 70 ILE HG13 . 30348 1 775 . 1 1 91 91 ILE HG21 H 1 0.852 0.04 . 1 . . . . A 70 ILE HG21 . 30348 1 776 . 1 1 91 91 ILE HG22 H 1 0.852 0.04 . 1 . . . . A 70 ILE HG22 . 30348 1 777 . 1 1 91 91 ILE HG23 H 1 0.852 0.04 . 1 . . . . A 70 ILE HG23 . 30348 1 778 . 1 1 91 91 ILE HD11 H 1 0.918 0.04 . 1 . . . . A 70 ILE HD11 . 30348 1 779 . 1 1 91 91 ILE HD12 H 1 0.918 0.04 . 1 . . . . A 70 ILE HD12 . 30348 1 780 . 1 1 91 91 ILE HD13 H 1 0.918 0.04 . 1 . . . . A 70 ILE HD13 . 30348 1 781 . 1 1 91 91 ILE C C 13 177.030 0.40 . 1 . . . . A 70 ILE C . 30348 1 782 . 1 1 91 91 ILE CA C 13 65.656 0.40 . 1 . . . . A 70 ILE CA . 30348 1 783 . 1 1 91 91 ILE CB C 13 38.206 0.40 . 1 . . . . A 70 ILE CB . 30348 1 784 . 1 1 91 91 ILE CG1 C 13 30.593 0.40 . 1 . . . . A 70 ILE CG1 . 30348 1 785 . 1 1 91 91 ILE CG2 C 13 16.851 0.40 . 1 . . . . A 70 ILE CG2 . 30348 1 786 . 1 1 91 91 ILE CD1 C 13 13.467 0.40 . 1 . . . . A 70 ILE CD1 . 30348 1 787 . 1 1 91 91 ILE N N 15 121.779 0.40 . 1 . . . . A 70 ILE N . 30348 1 788 . 1 1 92 92 GLN H H 1 7.815 0.04 . 1 . . . . A 71 GLN H . 30348 1 789 . 1 1 92 92 GLN HA H 1 3.926 0.04 . 1 . . . . A 71 GLN HA . 30348 1 790 . 1 1 92 92 GLN HB2 H 1 2.129 0.04 . 2 . . . . A 71 GLN HB2 . 30348 1 791 . 1 1 92 92 GLN HB3 H 1 2.129 0.04 . 2 . . . . A 71 GLN HB3 . 30348 1 792 . 1 1 92 92 GLN HG2 H 1 2.464 0.04 . 2 . . . . A 71 GLN HG2 . 30348 1 793 . 1 1 92 92 GLN HG3 H 1 2.464 0.04 . 2 . . . . A 71 GLN HG3 . 30348 1 794 . 1 1 92 92 GLN C C 13 179.345 0.40 . 1 . . . . A 71 GLN C . 30348 1 795 . 1 1 92 92 GLN CA C 13 59.108 0.40 . 1 . . . . A 71 GLN CA . 30348 1 796 . 1 1 92 92 GLN CB C 13 28.003 0.40 . 1 . . . . A 71 GLN CB . 30348 1 797 . 1 1 92 92 GLN CG C 13 33.605 0.40 . 1 . . . . A 71 GLN CG . 30348 1 798 . 1 1 92 92 GLN N N 15 116.452 0.40 . 1 . . . . A 71 GLN N . 30348 1 799 . 1 1 93 93 ILE H H 1 7.591 0.04 . 1 . . . . A 72 ILE H . 30348 1 800 . 1 1 93 93 ILE HA H 1 3.692 0.04 . 1 . . . . A 72 ILE HA . 30348 1 801 . 1 1 93 93 ILE HB H 1 1.733 0.04 . 1 . . . . A 72 ILE HB . 30348 1 802 . 1 1 93 93 ILE HG12 H 1 1.397 0.04 . 2 . . . . A 72 ILE HG12 . 30348 1 803 . 1 1 93 93 ILE HG13 H 1 1.013 0.04 . 2 . . . . A 72 ILE HG13 . 30348 1 804 . 1 1 93 93 ILE HG21 H 1 0.680 0.04 . 1 . . . . A 72 ILE HG21 . 30348 1 805 . 1 1 93 93 ILE HG22 H 1 0.680 0.04 . 1 . . . . A 72 ILE HG22 . 30348 1 806 . 1 1 93 93 ILE HG23 H 1 0.680 0.04 . 1 . . . . A 72 ILE HG23 . 30348 1 807 . 1 1 93 93 ILE HD11 H 1 0.767 0.04 . 1 . . . . A 72 ILE HD11 . 30348 1 808 . 1 1 93 93 ILE HD12 H 1 0.767 0.04 . 1 . . . . A 72 ILE HD12 . 30348 1 809 . 1 1 93 93 ILE HD13 H 1 0.767 0.04 . 1 . . . . A 72 ILE HD13 . 30348 1 810 . 1 1 93 93 ILE C C 13 177.663 0.40 . 1 . . . . A 72 ILE C . 30348 1 811 . 1 1 93 93 ILE CA C 13 63.841 0.40 . 1 . . . . A 72 ILE CA . 30348 1 812 . 1 1 93 93 ILE CB C 13 37.964 0.40 . 1 . . . . A 72 ILE CB . 30348 1 813 . 1 1 93 93 ILE CG1 C 13 28.889 0.40 . 1 . . . . A 72 ILE CG1 . 30348 1 814 . 1 1 93 93 ILE CG2 C 13 17.533 0.40 . 1 . . . . A 72 ILE CG2 . 30348 1 815 . 1 1 93 93 ILE CD1 C 13 13.024 0.40 . 1 . . . . A 72 ILE CD1 . 30348 1 816 . 1 1 93 93 ILE N N 15 118.963 0.40 . 1 . . . . A 72 ILE N . 30348 1 817 . 1 1 94 94 GLY H H 1 8.350 0.04 . 1 . . . . A 73 GLY H . 30348 1 818 . 1 1 94 94 GLY HA2 H 1 3.682 0.04 . 2 . . . . A 73 GLY HA2 . 30348 1 819 . 1 1 94 94 GLY HA3 H 1 3.682 0.04 . 2 . . . . A 73 GLY HA3 . 30348 1 820 . 1 1 94 94 GLY C C 13 175.439 0.40 . 1 . . . . A 73 GLY C . 30348 1 821 . 1 1 94 94 GLY CA C 13 48.402 0.40 . 1 . . . . A 73 GLY CA . 30348 1 822 . 1 1 94 94 GLY N N 15 108.788 0.40 . 1 . . . . A 73 GLY N . 30348 1 823 . 1 1 95 95 LEU H H 1 8.643 0.04 . 1 . . . . A 74 LEU H . 30348 1 824 . 1 1 95 95 LEU HA H 1 4.121 0.04 . 1 . . . . A 74 LEU HA . 30348 1 825 . 1 1 95 95 LEU HB2 H 1 1.936 0.04 . 2 . . . . A 74 LEU HB2 . 30348 1 826 . 1 1 95 95 LEU HB3 H 1 1.535 0.04 . 2 . . . . A 74 LEU HB3 . 30348 1 827 . 1 1 95 95 LEU HG H 1 1.991 0.04 . 1 . . . . A 74 LEU HG . 30348 1 828 . 1 1 95 95 LEU HD11 H 1 0.871 0.04 . 2 . . . . A 74 LEU HD11 . 30348 1 829 . 1 1 95 95 LEU HD12 H 1 0.871 0.04 . 2 . . . . A 74 LEU HD12 . 30348 1 830 . 1 1 95 95 LEU HD13 H 1 0.871 0.04 . 2 . . . . A 74 LEU HD13 . 30348 1 831 . 1 1 95 95 LEU HD21 H 1 0.891 0.04 . 2 . . . . A 74 LEU HD21 . 30348 1 832 . 1 1 95 95 LEU HD22 H 1 0.891 0.04 . 2 . . . . A 74 LEU HD22 . 30348 1 833 . 1 1 95 95 LEU HD23 H 1 0.891 0.04 . 2 . . . . A 74 LEU HD23 . 30348 1 834 . 1 1 95 95 LEU C C 13 180.587 0.40 . 1 . . . . A 74 LEU C . 30348 1 835 . 1 1 95 95 LEU CA C 13 58.219 0.40 . 1 . . . . A 74 LEU CA . 30348 1 836 . 1 1 95 95 LEU CB C 13 40.938 0.40 . 1 . . . . A 74 LEU CB . 30348 1 837 . 1 1 95 95 LEU CG C 13 26.522 0.40 . 1 . . . . A 74 LEU CG . 30348 1 838 . 1 1 95 95 LEU CD1 C 13 25.637 0.40 . 2 . . . . A 74 LEU CD1 . 30348 1 839 . 1 1 95 95 LEU CD2 C 13 22.138 0.40 . 2 . . . . A 74 LEU CD2 . 30348 1 840 . 1 1 95 95 LEU N N 15 120.346 0.40 . 1 . . . . A 74 LEU N . 30348 1 841 . 1 1 96 96 GLN H H 1 7.603 0.04 . 1 . . . . A 75 GLN H . 30348 1 842 . 1 1 96 96 GLN HA H 1 4.229 0.04 . 1 . . . . A 75 GLN HA . 30348 1 843 . 1 1 96 96 GLN HB2 H 1 2.145 0.04 . 2 . . . . A 75 GLN HB2 . 30348 1 844 . 1 1 96 96 GLN HB3 H 1 2.300 0.04 . 2 . . . . A 75 GLN HB3 . 30348 1 845 . 1 1 96 96 GLN HG2 H 1 2.572 0.04 . 2 . . . . A 75 GLN HG2 . 30348 1 846 . 1 1 96 96 GLN HG3 H 1 2.435 0.04 . 2 . . . . A 75 GLN HG3 . 30348 1 847 . 1 1 96 96 GLN C C 13 179.964 0.40 . 1 . . . . A 75 GLN C . 30348 1 848 . 1 1 96 96 GLN CA C 13 59.020 0.40 . 1 . . . . A 75 GLN CA . 30348 1 849 . 1 1 96 96 GLN CB C 13 28.293 0.40 . 1 . . . . A 75 GLN CB . 30348 1 850 . 1 1 96 96 GLN CG C 13 34.509 0.40 . 1 . . . . A 75 GLN CG . 30348 1 851 . 1 1 96 96 GLN N N 15 119.849 0.40 . 1 . . . . A 75 GLN N . 30348 1 852 . 1 1 97 97 TYR H H 1 8.553 0.04 . 1 . . . . A 76 TYR H . 30348 1 853 . 1 1 97 97 TYR HA H 1 4.702 0.04 . 1 . . . . A 76 TYR HA . 30348 1 854 . 1 1 97 97 TYR HB2 H 1 3.290 0.04 . 2 . . . . A 76 TYR HB2 . 30348 1 855 . 1 1 97 97 TYR HB3 H 1 2.946 0.04 . 2 . . . . A 76 TYR HB3 . 30348 1 856 . 1 1 97 97 TYR HD1 H 1 6.888 0.04 . 3 . . . . A 76 TYR HD1 . 30348 1 857 . 1 1 97 97 TYR HD2 H 1 6.888 0.04 . 3 . . . . A 76 TYR HD2 . 30348 1 858 . 1 1 97 97 TYR HE1 H 1 6.626 0.04 . 3 . . . . A 76 TYR HE1 . 30348 1 859 . 1 1 97 97 TYR HE2 H 1 6.626 0.04 . 3 . . . . A 76 TYR HE2 . 30348 1 860 . 1 1 97 97 TYR C C 13 179.206 0.40 . 1 . . . . A 76 TYR C . 30348 1 861 . 1 1 97 97 TYR CA C 13 58.831 0.40 . 1 . . . . A 76 TYR CA . 30348 1 862 . 1 1 97 97 TYR CB C 13 37.065 0.40 . 1 . . . . A 76 TYR CB . 30348 1 863 . 1 1 97 97 TYR CD1 C 13 131.095 0.40 . 3 . . . . A 76 TYR CD1 . 30348 1 864 . 1 1 97 97 TYR CE1 C 13 118.202 0.40 . 3 . . . . A 76 TYR CE1 . 30348 1 865 . 1 1 97 97 TYR N N 15 120.631 0.40 . 1 . . . . A 76 TYR N . 30348 1 866 . 1 1 98 98 ILE H H 1 8.525 0.04 . 1 . . . . A 77 ILE H . 30348 1 867 . 1 1 98 98 ILE HA H 1 3.428 0.04 . 1 . . . . A 77 ILE HA . 30348 1 868 . 1 1 98 98 ILE HB H 1 2.050 0.04 . 1 . . . . A 77 ILE HB . 30348 1 869 . 1 1 98 98 ILE HG12 H 1 1.946 0.04 . 2 . . . . A 77 ILE HG12 . 30348 1 870 . 1 1 98 98 ILE HG13 H 1 0.716 0.04 . 2 . . . . A 77 ILE HG13 . 30348 1 871 . 1 1 98 98 ILE HG21 H 1 0.881 0.04 . 1 . . . . A 77 ILE HG21 . 30348 1 872 . 1 1 98 98 ILE HG22 H 1 0.881 0.04 . 1 . . . . A 77 ILE HG22 . 30348 1 873 . 1 1 98 98 ILE HG23 H 1 0.881 0.04 . 1 . . . . A 77 ILE HG23 . 30348 1 874 . 1 1 98 98 ILE HD11 H 1 0.800 0.04 . 1 . . . . A 77 ILE HD11 . 30348 1 875 . 1 1 98 98 ILE HD12 H 1 0.800 0.04 . 1 . . . . A 77 ILE HD12 . 30348 1 876 . 1 1 98 98 ILE HD13 H 1 0.800 0.04 . 1 . . . . A 77 ILE HD13 . 30348 1 877 . 1 1 98 98 ILE C C 13 177.151 0.40 . 1 . . . . A 77 ILE C . 30348 1 878 . 1 1 98 98 ILE CA C 13 66.961 0.40 . 1 . . . . A 77 ILE CA . 30348 1 879 . 1 1 98 98 ILE CB C 13 37.413 0.40 . 1 . . . . A 77 ILE CB . 30348 1 880 . 1 1 98 98 ILE CG1 C 13 31.828 0.40 . 1 . . . . A 77 ILE CG1 . 30348 1 881 . 1 1 98 98 ILE CG2 C 13 18.220 0.40 . 1 . . . . A 77 ILE CG2 . 30348 1 882 . 1 1 98 98 ILE CD1 C 13 14.925 0.40 . 1 . . . . A 77 ILE CD1 . 30348 1 883 . 1 1 98 98 ILE N N 15 118.864 0.40 . 1 . . . . A 77 ILE N . 30348 1 884 . 1 1 99 99 GLU H H 1 7.836 0.04 . 1 . . . . A 78 GLU H . 30348 1 885 . 1 1 99 99 GLU HA H 1 4.057 0.04 . 1 . . . . A 78 GLU HA . 30348 1 886 . 1 1 99 99 GLU HB2 H 1 2.128 0.04 . 2 . . . . A 78 GLU HB2 . 30348 1 887 . 1 1 99 99 GLU HB3 H 1 2.293 0.04 . 2 . . . . A 78 GLU HB3 . 30348 1 888 . 1 1 99 99 GLU HG2 H 1 2.688 0.04 . 2 . . . . A 78 GLU HG2 . 30348 1 889 . 1 1 99 99 GLU HG3 H 1 2.242 0.04 . 2 . . . . A 78 GLU HG3 . 30348 1 890 . 1 1 99 99 GLU C C 13 178.030 0.40 . 1 . . . . A 78 GLU C . 30348 1 891 . 1 1 99 99 GLU CA C 13 60.742 0.40 . 1 . . . . A 78 GLU CA . 30348 1 892 . 1 1 99 99 GLU CB C 13 28.980 0.40 . 1 . . . . A 78 GLU CB . 30348 1 893 . 1 1 99 99 GLU CG C 13 37.271 0.40 . 1 . . . . A 78 GLU CG . 30348 1 894 . 1 1 99 99 GLU N N 15 119.117 0.40 . 1 . . . . A 78 GLU N . 30348 1 895 . 1 1 100 100 HIS H H 1 7.900 0.04 . 1 . . . . A 79 HIS H . 30348 1 896 . 1 1 100 100 HIS HA H 1 4.299 0.04 . 1 . . . . A 79 HIS HA . 30348 1 897 . 1 1 100 100 HIS HB2 H 1 3.430 0.04 . 2 . . . . A 79 HIS HB2 . 30348 1 898 . 1 1 100 100 HIS HB3 H 1 3.430 0.04 . 2 . . . . A 79 HIS HB3 . 30348 1 899 . 1 1 100 100 HIS C C 13 179.084 0.40 . 1 . . . . A 79 HIS C . 30348 1 900 . 1 1 100 100 HIS CA C 13 60.167 0.40 . 1 . . . . A 79 HIS CA . 30348 1 901 . 1 1 100 100 HIS CB C 13 31.134 0.40 . 1 . . . . A 79 HIS CB . 30348 1 902 . 1 1 100 100 HIS N N 15 116.779 0.40 . 1 . . . . A 79 HIS N . 30348 1 903 . 1 1 101 101 ILE H H 1 8.771 0.04 . 1 . . . . A 80 ILE H . 30348 1 904 . 1 1 101 101 ILE HA H 1 3.387 0.04 . 1 . . . . A 80 ILE HA . 30348 1 905 . 1 1 101 101 ILE HB H 1 1.846 0.04 . 1 . . . . A 80 ILE HB . 30348 1 906 . 1 1 101 101 ILE HG12 H 1 1.871 0.04 . 2 . . . . A 80 ILE HG12 . 30348 1 907 . 1 1 101 101 ILE HG13 H 1 0.734 0.04 . 2 . . . . A 80 ILE HG13 . 30348 1 908 . 1 1 101 101 ILE HG21 H 1 0.665 0.04 . 1 . . . . A 80 ILE HG21 . 30348 1 909 . 1 1 101 101 ILE HG22 H 1 0.665 0.04 . 1 . . . . A 80 ILE HG22 . 30348 1 910 . 1 1 101 101 ILE HG23 H 1 0.665 0.04 . 1 . . . . A 80 ILE HG23 . 30348 1 911 . 1 1 101 101 ILE HD11 H 1 0.681 0.04 . 1 . . . . A 80 ILE HD11 . 30348 1 912 . 1 1 101 101 ILE HD12 H 1 0.681 0.04 . 1 . . . . A 80 ILE HD12 . 30348 1 913 . 1 1 101 101 ILE HD13 H 1 0.681 0.04 . 1 . . . . A 80 ILE HD13 . 30348 1 914 . 1 1 101 101 ILE C C 13 178.032 0.40 . 1 . . . . A 80 ILE C . 30348 1 915 . 1 1 101 101 ILE CA C 13 65.485 0.40 . 1 . . . . A 80 ILE CA . 30348 1 916 . 1 1 101 101 ILE CB C 13 37.904 0.40 . 1 . . . . A 80 ILE CB . 30348 1 917 . 1 1 101 101 ILE CG1 C 13 29.356 0.40 . 1 . . . . A 80 ILE CG1 . 30348 1 918 . 1 1 101 101 ILE CG2 C 13 17.302 0.40 . 1 . . . . A 80 ILE CG2 . 30348 1 919 . 1 1 101 101 ILE CD1 C 13 13.657 0.40 . 1 . . . . A 80 ILE CD1 . 30348 1 920 . 1 1 101 101 ILE N N 15 121.163 0.40 . 1 . . . . A 80 ILE N . 30348 1 921 . 1 1 102 102 GLU H H 1 9.117 0.04 . 1 . . . . A 81 GLU H . 30348 1 922 . 1 1 102 102 GLU HA H 1 3.644 0.04 . 1 . . . . A 81 GLU HA . 30348 1 923 . 1 1 102 102 GLU HG2 H 1 2.213 0.04 . 2 . . . . A 81 GLU HG2 . 30348 1 924 . 1 1 102 102 GLU HG3 H 1 2.213 0.04 . 2 . . . . A 81 GLU HG3 . 30348 1 925 . 1 1 102 102 GLU C C 13 177.924 0.40 . 1 . . . . A 81 GLU C . 30348 1 926 . 1 1 102 102 GLU CA C 13 60.891 0.40 . 1 . . . . A 81 GLU CA . 30348 1 927 . 1 1 102 102 GLU CG C 13 36.695 0.40 . 1 . . . . A 81 GLU CG . 30348 1 928 . 1 1 102 102 GLU N N 15 120.252 0.40 . 1 . . . . A 81 GLU N . 30348 1 929 . 1 1 103 103 ARG H H 1 8.251 0.04 . 1 . . . . A 82 ARG H . 30348 1 930 . 1 1 103 103 ARG HA H 1 3.711 0.04 . 1 . . . . A 82 ARG HA . 30348 1 931 . 1 1 103 103 ARG C C 13 178.098 0.40 . 1 . . . . A 82 ARG C . 30348 1 932 . 1 1 103 103 ARG CA C 13 60.459 0.40 . 1 . . . . A 82 ARG CA . 30348 1 933 . 1 1 103 103 ARG N N 15 114.832 0.40 . 1 . . . . A 82 ARG N . 30348 1 934 . 1 1 104 104 THR H H 1 7.531 0.04 . 1 . . . . A 83 THR H . 30348 1 935 . 1 1 104 104 THR HA H 1 3.877 0.04 . 1 . . . . A 83 THR HA . 30348 1 936 . 1 1 104 104 THR HB H 1 4.136 0.04 . 1 . . . . A 83 THR HB . 30348 1 937 . 1 1 104 104 THR HG21 H 1 1.146 0.04 . 1 . . . . A 83 THR HG21 . 30348 1 938 . 1 1 104 104 THR HG22 H 1 1.146 0.04 . 1 . . . . A 83 THR HG22 . 30348 1 939 . 1 1 104 104 THR HG23 H 1 1.146 0.04 . 1 . . . . A 83 THR HG23 . 30348 1 940 . 1 1 104 104 THR C C 13 175.833 0.40 . 1 . . . . A 83 THR C . 30348 1 941 . 1 1 104 104 THR CA C 13 65.750 0.40 . 1 . . . . A 83 THR CA . 30348 1 942 . 1 1 104 104 THR CB C 13 68.543 0.40 . 1 . . . . A 83 THR CB . 30348 1 943 . 1 1 104 104 THR CG2 C 13 21.910 0.40 . 1 . . . . A 83 THR CG2 . 30348 1 944 . 1 1 104 104 THR N N 15 111.964 0.40 . 1 . . . . A 83 THR N . 30348 1 945 . 1 1 105 105 LEU H H 1 7.801 0.04 . 1 . . . . A 84 LEU H . 30348 1 946 . 1 1 105 105 LEU HA H 1 4.083 0.04 . 1 . . . . A 84 LEU HA . 30348 1 947 . 1 1 105 105 LEU HB2 H 1 1.636 0.04 . 2 . . . . A 84 LEU HB2 . 30348 1 948 . 1 1 105 105 LEU HB3 H 1 1.208 0.04 . 2 . . . . A 84 LEU HB3 . 30348 1 949 . 1 1 105 105 LEU HG H 1 1.595 0.04 . 1 . . . . A 84 LEU HG . 30348 1 950 . 1 1 105 105 LEU HD11 H 1 0.320 0.04 . 2 . . . . A 84 LEU HD11 . 30348 1 951 . 1 1 105 105 LEU HD12 H 1 0.320 0.04 . 2 . . . . A 84 LEU HD12 . 30348 1 952 . 1 1 105 105 LEU HD13 H 1 0.320 0.04 . 2 . . . . A 84 LEU HD13 . 30348 1 953 . 1 1 105 105 LEU HD21 H 1 0.409 0.04 . 2 . . . . A 84 LEU HD21 . 30348 1 954 . 1 1 105 105 LEU HD22 H 1 0.409 0.04 . 2 . . . . A 84 LEU HD22 . 30348 1 955 . 1 1 105 105 LEU HD23 H 1 0.409 0.04 . 2 . . . . A 84 LEU HD23 . 30348 1 956 . 1 1 105 105 LEU C C 13 177.781 0.40 . 1 . . . . A 84 LEU C . 30348 1 957 . 1 1 105 105 LEU CA C 13 55.978 0.40 . 1 . . . . A 84 LEU CA . 30348 1 958 . 1 1 105 105 LEU CB C 13 43.916 0.40 . 1 . . . . A 84 LEU CB . 30348 1 959 . 1 1 105 105 LEU CG C 13 26.303 0.40 . 1 . . . . A 84 LEU CG . 30348 1 960 . 1 1 105 105 LEU CD1 C 13 26.291 0.40 . 2 . . . . A 84 LEU CD1 . 30348 1 961 . 1 1 105 105 LEU CD2 C 13 22.825 0.40 . 2 . . . . A 84 LEU CD2 . 30348 1 962 . 1 1 105 105 LEU N N 15 120.123 0.40 . 1 . . . . A 84 LEU N . 30348 1 963 . 1 1 106 106 ASN H H 1 8.448 0.04 . 1 . . . . A 85 ASN H . 30348 1 964 . 1 1 106 106 ASN HA H 1 5.081 0.04 . 1 . . . . A 85 ASN HA . 30348 1 965 . 1 1 106 106 ASN HB2 H 1 2.711 0.04 . 2 . . . . A 85 ASN HB2 . 30348 1 966 . 1 1 106 106 ASN HB3 H 1 2.711 0.04 . 2 . . . . A 85 ASN HB3 . 30348 1 967 . 1 1 106 106 ASN C C 13 176.638 0.40 . 1 . . . . A 85 ASN C . 30348 1 968 . 1 1 106 106 ASN CA C 13 53.003 0.40 . 1 . . . . A 85 ASN CA . 30348 1 969 . 1 1 106 106 ASN CB C 13 39.482 0.40 . 1 . . . . A 85 ASN CB . 30348 1 970 . 1 1 106 106 ASN N N 15 118.486 0.40 . 1 . . . . A 85 ASN N . 30348 1 971 . 1 1 107 107 HIS H H 1 7.726 0.04 . 1 . . . . A 86 HIS H . 30348 1 972 . 1 1 107 107 HIS N N 15 122.935 0.40 . 1 . . . . A 86 HIS N . 30348 1 973 . 1 1 108 108 GLY HA2 H 1 3.933 0.04 . 2 . . . . A 87 GLY HA2 . 30348 1 974 . 1 1 108 108 GLY HA3 H 1 3.642 0.04 . 2 . . . . A 87 GLY HA3 . 30348 1 975 . 1 1 108 108 GLY C C 13 174.190 0.40 . 1 . . . . A 87 GLY C . 30348 1 976 . 1 1 108 108 GLY CA C 13 45.633 0.40 . 1 . . . . A 87 GLY CA . 30348 1 977 . 1 1 109 109 SER H H 1 8.366 0.04 . 1 . . . . A 88 SER H . 30348 1 978 . 1 1 109 109 SER HA H 1 4.955 0.04 . 1 . . . . A 88 SER HA . 30348 1 979 . 1 1 109 109 SER HB2 H 1 4.115 0.04 . 2 . . . . A 88 SER HB2 . 30348 1 980 . 1 1 109 109 SER HB3 H 1 4.115 0.04 . 2 . . . . A 88 SER HB3 . 30348 1 981 . 1 1 109 109 SER C C 13 174.086 0.40 . 1 . . . . A 88 SER C . 30348 1 982 . 1 1 109 109 SER CA C 13 57.683 0.40 . 1 . . . . A 88 SER CA . 30348 1 983 . 1 1 109 109 SER CB C 13 61.507 0.40 . 1 . . . . A 88 SER CB . 30348 1 984 . 1 1 109 109 SER N N 15 111.003 0.40 . 1 . . . . A 88 SER N . 30348 1 985 . 1 1 110 110 LEU H H 1 6.432 0.04 . 1 . . . . A 89 LEU H . 30348 1 986 . 1 1 110 110 LEU HA H 1 4.650 0.04 . 1 . . . . A 89 LEU HA . 30348 1 987 . 1 1 110 110 LEU HB2 H 1 1.646 0.04 . 2 . . . . A 89 LEU HB2 . 30348 1 988 . 1 1 110 110 LEU HB3 H 1 1.580 0.04 . 2 . . . . A 89 LEU HB3 . 30348 1 989 . 1 1 110 110 LEU HG H 1 1.736 0.04 . 1 . . . . A 89 LEU HG . 30348 1 990 . 1 1 110 110 LEU HD11 H 1 0.788 0.04 . 2 . . . . A 89 LEU HD11 . 30348 1 991 . 1 1 110 110 LEU HD12 H 1 0.788 0.04 . 2 . . . . A 89 LEU HD12 . 30348 1 992 . 1 1 110 110 LEU HD13 H 1 0.788 0.04 . 2 . . . . A 89 LEU HD13 . 30348 1 993 . 1 1 110 110 LEU HD21 H 1 0.769 0.04 . 2 . . . . A 89 LEU HD21 . 30348 1 994 . 1 1 110 110 LEU HD22 H 1 0.769 0.04 . 2 . . . . A 89 LEU HD22 . 30348 1 995 . 1 1 110 110 LEU HD23 H 1 0.769 0.04 . 2 . . . . A 89 LEU HD23 . 30348 1 996 . 1 1 110 110 LEU C C 13 178.024 0.40 . 1 . . . . A 89 LEU C . 30348 1 997 . 1 1 110 110 LEU CA C 13 54.124 0.40 . 1 . . . . A 89 LEU CA . 30348 1 998 . 1 1 110 110 LEU CB C 13 44.910 0.40 . 1 . . . . A 89 LEU CB . 30348 1 999 . 1 1 110 110 LEU CG C 13 26.863 0.40 . 1 . . . . A 89 LEU CG . 30348 1 1000 . 1 1 110 110 LEU CD1 C 13 26.423 0.40 . 2 . . . . A 89 LEU CD1 . 30348 1 1001 . 1 1 110 110 LEU CD2 C 13 22.786 0.40 . 2 . . . . A 89 LEU CD2 . 30348 1 1002 . 1 1 110 110 LEU N N 15 118.176 0.40 . 1 . . . . A 89 LEU N . 30348 1 1003 . 1 1 111 111 THR H H 1 8.607 0.04 . 1 . . . . A 90 THR H . 30348 1 1004 . 1 1 111 111 THR HA H 1 4.592 0.04 . 1 . . . . A 90 THR HA . 30348 1 1005 . 1 1 111 111 THR HB H 1 4.968 0.04 . 1 . . . . A 90 THR HB . 30348 1 1006 . 1 1 111 111 THR HG21 H 1 1.423 0.04 . 1 . . . . A 90 THR HG21 . 30348 1 1007 . 1 1 111 111 THR HG22 H 1 1.423 0.04 . 1 . . . . A 90 THR HG22 . 30348 1 1008 . 1 1 111 111 THR HG23 H 1 1.423 0.04 . 1 . . . . A 90 THR HG23 . 30348 1 1009 . 1 1 111 111 THR C C 13 175.903 0.40 . 1 . . . . A 90 THR C . 30348 1 1010 . 1 1 111 111 THR CA C 13 60.673 0.40 . 1 . . . . A 90 THR CA . 30348 1 1011 . 1 1 111 111 THR CB C 13 70.736 0.40 . 1 . . . . A 90 THR CB . 30348 1 1012 . 1 1 111 111 THR CG2 C 13 22.883 0.40 . 1 . . . . A 90 THR CG2 . 30348 1 1013 . 1 1 111 111 THR N N 15 110.462 0.40 . 1 . . . . A 90 THR N . 30348 1 1014 . 1 1 112 112 SER H H 1 9.453 0.04 . 1 . . . . A 91 SER H . 30348 1 1015 . 1 1 112 112 SER N N 15 118.321 0.40 . 1 . . . . A 91 SER N . 30348 1 1016 . 1 1 113 113 ARG HA H 1 4.103 0.04 . 1 . . . . A 92 ARG HA . 30348 1 1017 . 1 1 113 113 ARG HB2 H 1 1.941 0.04 . 2 . . . . A 92 ARG HB2 . 30348 1 1018 . 1 1 113 113 ARG HB3 H 1 1.841 0.04 . 2 . . . . A 92 ARG HB3 . 30348 1 1019 . 1 1 113 113 ARG HG2 H 1 1.702 0.04 . 2 . . . . A 92 ARG HG2 . 30348 1 1020 . 1 1 113 113 ARG HG3 H 1 1.646 0.04 . 2 . . . . A 92 ARG HG3 . 30348 1 1021 . 1 1 113 113 ARG HD2 H 1 3.202 0.04 . 2 . . . . A 92 ARG HD2 . 30348 1 1022 . 1 1 113 113 ARG HD3 H 1 3.278 0.04 . 2 . . . . A 92 ARG HD3 . 30348 1 1023 . 1 1 113 113 ARG CA C 13 59.239 0.40 . 1 . . . . A 92 ARG CA . 30348 1 1024 . 1 1 113 113 ARG CB C 13 29.920 0.40 . 1 . . . . A 92 ARG CB . 30348 1 1025 . 1 1 113 113 ARG CG C 13 26.893 0.40 . 1 . . . . A 92 ARG CG . 30348 1 1026 . 1 1 113 113 ARG CD C 13 43.126 0.40 . 1 . . . . A 92 ARG CD . 30348 1 1027 . 1 1 114 114 GLU HA H 1 3.860 0.04 . 1 . . . . A 93 GLU HA . 30348 1 1028 . 1 1 114 114 GLU HB2 H 1 1.940 0.04 . 2 . . . . A 93 GLU HB2 . 30348 1 1029 . 1 1 114 114 GLU HB3 H 1 1.940 0.04 . 2 . . . . A 93 GLU HB3 . 30348 1 1030 . 1 1 114 114 GLU HG2 H 1 2.275 0.04 . 2 . . . . A 93 GLU HG2 . 30348 1 1031 . 1 1 114 114 GLU HG3 H 1 2.249 0.04 . 2 . . . . A 93 GLU HG3 . 30348 1 1032 . 1 1 114 114 GLU C C 13 179.068 0.40 . 1 . . . . A 93 GLU C . 30348 1 1033 . 1 1 114 114 GLU CA C 13 59.049 0.40 . 1 . . . . A 93 GLU CA . 30348 1 1034 . 1 1 114 114 GLU CB C 13 30.221 0.40 . 1 . . . . A 93 GLU CB . 30348 1 1035 . 1 1 114 114 GLU CG C 13 37.662 0.40 . 1 . . . . A 93 GLU CG . 30348 1 1036 . 1 1 115 115 VAL H H 1 8.091 0.04 . 1 . . . . A 94 VAL H . 30348 1 1037 . 1 1 115 115 VAL HA H 1 3.311 0.04 . 1 . . . . A 94 VAL HA . 30348 1 1038 . 1 1 115 115 VAL HB H 1 1.871 0.04 . 1 . . . . A 94 VAL HB . 30348 1 1039 . 1 1 115 115 VAL HG11 H 1 0.549 0.04 . 2 . . . . A 94 VAL HG11 . 30348 1 1040 . 1 1 115 115 VAL HG12 H 1 0.549 0.04 . 2 . . . . A 94 VAL HG12 . 30348 1 1041 . 1 1 115 115 VAL HG13 H 1 0.549 0.04 . 2 . . . . A 94 VAL HG13 . 30348 1 1042 . 1 1 115 115 VAL HG21 H 1 0.391 0.04 . 2 . . . . A 94 VAL HG21 . 30348 1 1043 . 1 1 115 115 VAL HG22 H 1 0.391 0.04 . 2 . . . . A 94 VAL HG22 . 30348 1 1044 . 1 1 115 115 VAL HG23 H 1 0.391 0.04 . 2 . . . . A 94 VAL HG23 . 30348 1 1045 . 1 1 115 115 VAL C C 13 177.379 0.40 . 1 . . . . A 94 VAL C . 30348 1 1046 . 1 1 115 115 VAL CA C 13 66.093 0.40 . 1 . . . . A 94 VAL CA . 30348 1 1047 . 1 1 115 115 VAL CB C 13 31.508 0.40 . 1 . . . . A 94 VAL CB . 30348 1 1048 . 1 1 115 115 VAL CG1 C 13 23.425 0.40 . 2 . . . . A 94 VAL CG1 . 30348 1 1049 . 1 1 115 115 VAL CG2 C 13 20.257 0.40 . 2 . . . . A 94 VAL CG2 . 30348 1 1050 . 1 1 115 115 VAL N N 15 119.970 0.40 . 1 . . . . A 94 VAL N . 30348 1 1051 . 1 1 116 116 THR H H 1 7.845 0.04 . 1 . . . . A 95 THR H . 30348 1 1052 . 1 1 116 116 THR HA H 1 3.729 0.04 . 1 . . . . A 95 THR HA . 30348 1 1053 . 1 1 116 116 THR HB H 1 4.316 0.04 . 1 . . . . A 95 THR HB . 30348 1 1054 . 1 1 116 116 THR HG21 H 1 1.205 0.04 . 1 . . . . A 95 THR HG21 . 30348 1 1055 . 1 1 116 116 THR HG22 H 1 1.205 0.04 . 1 . . . . A 95 THR HG22 . 30348 1 1056 . 1 1 116 116 THR HG23 H 1 1.205 0.04 . 1 . . . . A 95 THR HG23 . 30348 1 1057 . 1 1 116 116 THR C C 13 176.215 0.40 . 1 . . . . A 95 THR C . 30348 1 1058 . 1 1 116 116 THR CA C 13 66.599 0.40 . 1 . . . . A 95 THR CA . 30348 1 1059 . 1 1 116 116 THR CB C 13 68.687 0.40 . 1 . . . . A 95 THR CB . 30348 1 1060 . 1 1 116 116 THR CG2 C 13 21.641 0.40 . 1 . . . . A 95 THR CG2 . 30348 1 1061 . 1 1 116 116 THR N N 15 115.535 0.40 . 1 . . . . A 95 THR N . 30348 1 1062 . 1 1 117 117 VAL H H 1 7.664 0.04 . 1 . . . . A 96 VAL H . 30348 1 1063 . 1 1 117 117 VAL HA H 1 3.798 0.04 . 1 . . . . A 96 VAL HA . 30348 1 1064 . 1 1 117 117 VAL HB H 1 2.103 0.04 . 1 . . . . A 96 VAL HB . 30348 1 1065 . 1 1 117 117 VAL HG11 H 1 1.028 0.04 . 2 . . . . A 96 VAL HG11 . 30348 1 1066 . 1 1 117 117 VAL HG12 H 1 1.028 0.04 . 2 . . . . A 96 VAL HG12 . 30348 1 1067 . 1 1 117 117 VAL HG13 H 1 1.028 0.04 . 2 . . . . A 96 VAL HG13 . 30348 1 1068 . 1 1 117 117 VAL HG21 H 1 0.937 0.04 . 2 . . . . A 96 VAL HG21 . 30348 1 1069 . 1 1 117 117 VAL HG22 H 1 0.937 0.04 . 2 . . . . A 96 VAL HG22 . 30348 1 1070 . 1 1 117 117 VAL HG23 H 1 0.937 0.04 . 2 . . . . A 96 VAL HG23 . 30348 1 1071 . 1 1 117 117 VAL C C 13 175.102 0.40 . 1 . . . . A 96 VAL C . 30348 1 1072 . 1 1 117 117 VAL CA C 13 65.510 0.40 . 1 . . . . A 96 VAL CA . 30348 1 1073 . 1 1 117 117 VAL CB C 13 31.933 0.40 . 1 . . . . A 96 VAL CB . 30348 1 1074 . 1 1 117 117 VAL CG1 C 13 22.089 0.40 . 2 . . . . A 96 VAL CG1 . 30348 1 1075 . 1 1 117 117 VAL CG2 C 13 21.047 0.40 . 2 . . . . A 96 VAL CG2 . 30348 1 1076 . 1 1 117 117 VAL N N 15 120.828 0.40 . 1 . . . . A 96 VAL N . 30348 1 1077 . 1 1 118 118 LEU H H 1 7.933 0.04 . 1 . . . . A 97 LEU H . 30348 1 1078 . 1 1 118 118 LEU HA H 1 4.067 0.04 . 1 . . . . A 97 LEU HA . 30348 1 1079 . 1 1 118 118 LEU HB2 H 1 1.804 0.04 . 2 . . . . A 97 LEU HB2 . 30348 1 1080 . 1 1 118 118 LEU HB3 H 1 1.366 0.04 . 2 . . . . A 97 LEU HB3 . 30348 1 1081 . 1 1 118 118 LEU HG H 1 1.737 0.04 . 1 . . . . A 97 LEU HG . 30348 1 1082 . 1 1 118 118 LEU HD11 H 1 0.824 0.04 . 2 . . . . A 97 LEU HD11 . 30348 1 1083 . 1 1 118 118 LEU HD12 H 1 0.824 0.04 . 2 . . . . A 97 LEU HD12 . 30348 1 1084 . 1 1 118 118 LEU HD13 H 1 0.824 0.04 . 2 . . . . A 97 LEU HD13 . 30348 1 1085 . 1 1 118 118 LEU HD21 H 1 0.833 0.04 . 2 . . . . A 97 LEU HD21 . 30348 1 1086 . 1 1 118 118 LEU HD22 H 1 0.833 0.04 . 2 . . . . A 97 LEU HD22 . 30348 1 1087 . 1 1 118 118 LEU HD23 H 1 0.833 0.04 . 2 . . . . A 97 LEU HD23 . 30348 1 1088 . 1 1 118 118 LEU CA C 13 57.555 0.40 . 1 . . . . A 97 LEU CA . 30348 1 1089 . 1 1 118 118 LEU CB C 13 41.864 0.40 . 1 . . . . A 97 LEU CB . 30348 1 1090 . 1 1 118 118 LEU CG C 13 26.963 0.40 . 1 . . . . A 97 LEU CG . 30348 1 1091 . 1 1 118 118 LEU CD1 C 13 25.619 0.40 . 2 . . . . A 97 LEU CD1 . 30348 1 1092 . 1 1 118 118 LEU CD2 C 13 23.375 0.40 . 2 . . . . A 97 LEU CD2 . 30348 1 1093 . 1 1 118 118 LEU N N 15 120.153 0.40 . 1 . . . . A 97 LEU N . 30348 1 1094 . 1 1 120 120 GLU HA H 1 4.093 0.04 . 1 . . . . A 99 GLU HA . 30348 1 1095 . 1 1 120 120 GLU HB2 H 1 2.106 0.04 . 2 . . . . A 99 GLU HB2 . 30348 1 1096 . 1 1 120 120 GLU HB3 H 1 2.179 0.04 . 2 . . . . A 99 GLU HB3 . 30348 1 1097 . 1 1 120 120 GLU HG2 H 1 2.411 0.04 . 2 . . . . A 99 GLU HG2 . 30348 1 1098 . 1 1 120 120 GLU HG3 H 1 2.233 0.04 . 2 . . . . A 99 GLU HG3 . 30348 1 1099 . 1 1 120 120 GLU C C 13 178.382 0.40 . 1 . . . . A 99 GLU C . 30348 1 1100 . 1 1 120 120 GLU CA C 13 58.911 0.40 . 1 . . . . A 99 GLU CA . 30348 1 1101 . 1 1 120 120 GLU CB C 13 29.473 0.40 . 1 . . . . A 99 GLU CB . 30348 1 1102 . 1 1 120 120 GLU CG C 13 36.632 0.40 . 1 . . . . A 99 GLU CG . 30348 1 1103 . 1 1 121 121 ILE H H 1 7.789 0.04 . 1 . . . . A 100 ILE H . 30348 1 1104 . 1 1 121 121 ILE HA H 1 3.974 0.04 . 1 . . . . A 100 ILE HA . 30348 1 1105 . 1 1 121 121 ILE HB H 1 1.987 0.04 . 1 . . . . A 100 ILE HB . 30348 1 1106 . 1 1 121 121 ILE HG12 H 1 1.604 0.04 . 2 . . . . A 100 ILE HG12 . 30348 1 1107 . 1 1 121 121 ILE HG13 H 1 1.233 0.04 . 2 . . . . A 100 ILE HG13 . 30348 1 1108 . 1 1 121 121 ILE HG21 H 1 0.904 0.04 . 1 . . . . A 100 ILE HG21 . 30348 1 1109 . 1 1 121 121 ILE HG22 H 1 0.904 0.04 . 1 . . . . A 100 ILE HG22 . 30348 1 1110 . 1 1 121 121 ILE HG23 H 1 0.904 0.04 . 1 . . . . A 100 ILE HG23 . 30348 1 1111 . 1 1 121 121 ILE HD11 H 1 0.835 0.04 . 1 . . . . A 100 ILE HD11 . 30348 1 1112 . 1 1 121 121 ILE HD12 H 1 0.835 0.04 . 1 . . . . A 100 ILE HD12 . 30348 1 1113 . 1 1 121 121 ILE HD13 H 1 0.835 0.04 . 1 . . . . A 100 ILE HD13 . 30348 1 1114 . 1 1 121 121 ILE CA C 13 63.323 0.40 . 1 . . . . A 100 ILE CA . 30348 1 1115 . 1 1 121 121 ILE CB C 13 38.192 0.40 . 1 . . . . A 100 ILE CB . 30348 1 1116 . 1 1 121 121 ILE CG1 C 13 27.905 0.40 . 1 . . . . A 100 ILE CG1 . 30348 1 1117 . 1 1 121 121 ILE CG2 C 13 17.541 0.40 . 1 . . . . A 100 ILE CG2 . 30348 1 1118 . 1 1 121 121 ILE CD1 C 13 13.300 0.40 . 1 . . . . A 100 ILE CD1 . 30348 1 1119 . 1 1 121 121 ILE N N 15 118.195 0.40 . 1 . . . . A 100 ILE N . 30348 1 1120 . 1 1 122 122 GLU HA H 1 4.092 0.04 . 1 . . . . A 101 GLU HA . 30348 1 1121 . 1 1 122 122 GLU HB2 H 1 2.076 0.04 . 2 . . . . A 101 GLU HB2 . 30348 1 1122 . 1 1 122 122 GLU HB3 H 1 2.076 0.04 . 2 . . . . A 101 GLU HB3 . 30348 1 1123 . 1 1 122 122 GLU C C 13 178.107 0.40 . 1 . . . . A 101 GLU C . 30348 1 1124 . 1 1 122 122 GLU CA C 13 59.021 0.40 . 1 . . . . A 101 GLU CA . 30348 1 1125 . 1 1 122 122 GLU CB C 13 29.529 0.40 . 1 . . . . A 101 GLU CB . 30348 1 1126 . 1 1 123 123 MET H H 1 8.023 0.04 . 1 . . . . A 102 MET H . 30348 1 1127 . 1 1 123 123 MET HA H 1 4.402 0.04 . 1 . . . . A 102 MET HA . 30348 1 1128 . 1 1 123 123 MET HB2 H 1 2.553 0.04 . 2 . . . . A 102 MET HB2 . 30348 1 1129 . 1 1 123 123 MET HB3 H 1 2.689 0.04 . 2 . . . . A 102 MET HB3 . 30348 1 1130 . 1 1 123 123 MET HG2 H 1 2.161 0.04 . 2 . . . . A 102 MET HG2 . 30348 1 1131 . 1 1 123 123 MET HG3 H 1 2.075 0.04 . 2 . . . . A 102 MET HG3 . 30348 1 1132 . 1 1 123 123 MET C C 13 177.243 0.40 . 1 . . . . A 102 MET C . 30348 1 1133 . 1 1 123 123 MET CA C 13 56.523 0.40 . 1 . . . . A 102 MET CA . 30348 1 1134 . 1 1 123 123 MET CB C 13 32.073 0.40 . 1 . . . . A 102 MET CB . 30348 1 1135 . 1 1 123 123 MET CG C 13 32.779 0.40 . 1 . . . . A 102 MET CG . 30348 1 1136 . 1 1 123 123 MET N N 15 117.553 0.40 . 1 . . . . A 102 MET N . 30348 1 1137 . 1 1 124 124 LEU H H 1 7.894 0.04 . 1 . . . . A 103 LEU H . 30348 1 1138 . 1 1 124 124 LEU HA H 1 4.264 0.04 . 1 . . . . A 103 LEU HA . 30348 1 1139 . 1 1 124 124 LEU HB2 H 1 1.582 0.04 . 2 . . . . A 103 LEU HB2 . 30348 1 1140 . 1 1 124 124 LEU HB3 H 1 1.582 0.04 . 2 . . . . A 103 LEU HB3 . 30348 1 1141 . 1 1 124 124 LEU C C 13 178.386 0.40 . 1 . . . . A 103 LEU C . 30348 1 1142 . 1 1 124 124 LEU CA C 13 56.337 0.40 . 1 . . . . A 103 LEU CA . 30348 1 1143 . 1 1 124 124 LEU CB C 13 42.421 0.40 . 1 . . . . A 103 LEU CB . 30348 1 1144 . 1 1 124 124 LEU N N 15 121.207 0.40 . 1 . . . . A 103 LEU N . 30348 1 1145 . 1 1 125 125 GLU H H 1 8.296 0.04 . 1 . . . . A 104 GLU H . 30348 1 1146 . 1 1 125 125 GLU HA H 1 4.456 0.04 . 1 . . . . A 104 GLU HA . 30348 1 1147 . 1 1 125 125 GLU HB2 H 1 1.933 0.04 . 2 . . . . A 104 GLU HB2 . 30348 1 1148 . 1 1 125 125 GLU HB3 H 1 1.933 0.04 . 2 . . . . A 104 GLU HB3 . 30348 1 1149 . 1 1 125 125 GLU HG2 H 1 2.067 0.04 . 2 . . . . A 104 GLU HG2 . 30348 1 1150 . 1 1 125 125 GLU HG3 H 1 2.067 0.04 . 2 . . . . A 104 GLU HG3 . 30348 1 1151 . 1 1 125 125 GLU C C 13 175.934 0.40 . 1 . . . . A 104 GLU C . 30348 1 1152 . 1 1 125 125 GLU CA C 13 55.759 0.40 . 1 . . . . A 104 GLU CA . 30348 1 1153 . 1 1 125 125 GLU CB C 13 33.545 0.40 . 1 . . . . A 104 GLU CB . 30348 1 1154 . 1 1 125 125 GLU CG C 13 33.545 0.40 . 1 . . . . A 104 GLU CG . 30348 1 1155 . 1 1 125 125 GLU N N 15 119.568 0.40 . 1 . . . . A 104 GLU N . 30348 1 1156 . 1 1 126 126 ASN H H 1 8.322 0.04 . 1 . . . . A 105 ASN H . 30348 1 1157 . 1 1 126 126 ASN HA H 1 4.598 0.04 . 1 . . . . A 105 ASN HA . 30348 1 1158 . 1 1 126 126 ASN HB2 H 1 2.738 0.04 . 2 . . . . A 105 ASN HB2 . 30348 1 1159 . 1 1 126 126 ASN HB3 H 1 2.605 0.04 . 2 . . . . A 105 ASN HB3 . 30348 1 1160 . 1 1 126 126 ASN CA C 13 54.592 0.40 . 1 . . . . A 105 ASN CA . 30348 1 1161 . 1 1 126 126 ASN CB C 13 40.893 0.40 . 1 . . . . A 105 ASN CB . 30348 1 1162 . 1 1 126 126 ASN N N 15 120.735 0.40 . 1 . . . . A 105 ASN N . 30348 1 1163 . 1 1 127 127 MET HA H 1 4.200 0.04 . 1 . . . . A 106 MET HA . 30348 1 1164 . 1 1 127 127 MET C C 13 176.676 0.40 . 1 . . . . A 106 MET C . 30348 1 1165 . 1 1 127 127 MET CA C 13 57.271 0.40 . 1 . . . . A 106 MET CA . 30348 1 1166 . 1 1 128 128 ASP H H 1 8.145 0.04 . 1 . . . . A 107 ASP H . 30348 1 1167 . 1 1 128 128 ASP HA H 1 4.648 0.04 . 1 . . . . A 107 ASP HA . 30348 1 1168 . 1 1 128 128 ASP HB2 H 1 2.938 0.04 . 2 . . . . A 107 ASP HB2 . 30348 1 1169 . 1 1 128 128 ASP HB3 H 1 2.775 0.04 . 2 . . . . A 107 ASP HB3 . 30348 1 1170 . 1 1 128 128 ASP C C 13 175.274 0.40 . 1 . . . . A 107 ASP C . 30348 1 1171 . 1 1 128 128 ASP CA C 13 53.394 0.40 . 1 . . . . A 107 ASP CA . 30348 1 1172 . 1 1 128 128 ASP CB C 13 38.432 0.40 . 1 . . . . A 107 ASP CB . 30348 1 1173 . 1 1 128 128 ASP N N 15 118.045 0.40 . 1 . . . . A 107 ASP N . 30348 1 1174 . 1 1 129 129 LEU H H 1 8.070 0.04 . 1 . . . . A 108 LEU H . 30348 1 1175 . 1 1 129 129 LEU HA H 1 4.306 0.04 . 1 . . . . A 108 LEU HA . 30348 1 1176 . 1 1 129 129 LEU HB2 H 1 1.613 0.04 . 2 . . . . A 108 LEU HB2 . 30348 1 1177 . 1 1 129 129 LEU HB3 H 1 1.613 0.04 . 2 . . . . A 108 LEU HB3 . 30348 1 1178 . 1 1 129 129 LEU C C 13 177.941 0.40 . 1 . . . . A 108 LEU C . 30348 1 1179 . 1 1 129 129 LEU CA C 13 55.593 0.40 . 1 . . . . A 108 LEU CA . 30348 1 1180 . 1 1 129 129 LEU CB C 13 42.383 0.40 . 1 . . . . A 108 LEU CB . 30348 1 1181 . 1 1 129 129 LEU N N 15 119.313 0.40 . 1 . . . . A 108 LEU N . 30348 1 1182 . 1 1 130 130 LEU H H 1 8.084 0.04 . 1 . . . . A 109 LEU H . 30348 1 1183 . 1 1 130 130 LEU HA H 1 4.312 0.04 . 1 . . . . A 109 LEU HA . 30348 1 1184 . 1 1 130 130 LEU HB2 H 1 1.758 0.04 . 2 . . . . A 109 LEU HB2 . 30348 1 1185 . 1 1 130 130 LEU HB3 H 1 1.605 0.04 . 2 . . . . A 109 LEU HB3 . 30348 1 1186 . 1 1 130 130 LEU HG H 1 1.596 0.04 . 1 . . . . A 109 LEU HG . 30348 1 1187 . 1 1 130 130 LEU HD11 H 1 0.891 0.04 . 2 . . . . A 109 LEU HD11 . 30348 1 1188 . 1 1 130 130 LEU HD12 H 1 0.891 0.04 . 2 . . . . A 109 LEU HD12 . 30348 1 1189 . 1 1 130 130 LEU HD13 H 1 0.891 0.04 . 2 . . . . A 109 LEU HD13 . 30348 1 1190 . 1 1 130 130 LEU C C 13 178.051 0.40 . 1 . . . . A 109 LEU C . 30348 1 1191 . 1 1 130 130 LEU CA C 13 56.023 0.40 . 1 . . . . A 109 LEU CA . 30348 1 1192 . 1 1 130 130 LEU CB C 13 42.052 0.40 . 1 . . . . A 109 LEU CB . 30348 1 1193 . 1 1 130 130 LEU CG C 13 27.252 0.40 . 1 . . . . A 109 LEU CG . 30348 1 1194 . 1 1 130 130 LEU CD1 C 13 25.271 0.40 . 2 . . . . A 109 LEU CD1 . 30348 1 1195 . 1 1 130 130 LEU N N 15 120.754 0.40 . 1 . . . . A 109 LEU N . 30348 1 1196 . 1 1 131 131 SER H H 1 8.143 0.04 . 1 . . . . A 110 SER H . 30348 1 1197 . 1 1 131 131 SER HA H 1 4.343 0.04 . 1 . . . . A 110 SER HA . 30348 1 1198 . 1 1 131 131 SER HB2 H 1 3.855 0.04 . 2 . . . . A 110 SER HB2 . 30348 1 1199 . 1 1 131 131 SER HB3 H 1 3.855 0.04 . 2 . . . . A 110 SER HB3 . 30348 1 1200 . 1 1 131 131 SER CA C 13 59.177 0.40 . 1 . . . . A 110 SER CA . 30348 1 1201 . 1 1 131 131 SER CB C 13 63.400 0.40 . 1 . . . . A 110 SER CB . 30348 1 1202 . 1 1 131 131 SER N N 15 115.464 0.40 . 1 . . . . A 110 SER N . 30348 1 1203 . 1 1 133 133 TYR HA H 1 4.535 0.04 . 1 . . . . A 112 TYR HA . 30348 1 1204 . 1 1 133 133 TYR HB2 H 1 3.048 0.04 . 2 . . . . A 112 TYR HB2 . 30348 1 1205 . 1 1 133 133 TYR HB3 H 1 3.004 0.04 . 2 . . . . A 112 TYR HB3 . 30348 1 1206 . 1 1 133 133 TYR C C 13 175.228 0.40 . 1 . . . . A 112 TYR C . 30348 1 1207 . 1 1 133 133 TYR CA C 13 57.623 0.40 . 1 . . . . A 112 TYR CA . 30348 1 1208 . 1 1 133 133 TYR CB C 13 39.681 0.40 . 1 . . . . A 112 TYR CB . 30348 1 1209 . 1 1 134 134 GLN H H 1 8.198 0.04 . 1 . . . . A 113 GLN H . 30348 1 1210 . 1 1 134 134 GLN HA H 1 4.240 0.04 . 1 . . . . A 113 GLN HA . 30348 1 1211 . 1 1 134 134 GLN HB2 H 1 2.029 0.04 . 2 . . . . A 113 GLN HB2 . 30348 1 1212 . 1 1 134 134 GLN HB3 H 1 1.901 0.04 . 2 . . . . A 113 GLN HB3 . 30348 1 1213 . 1 1 134 134 GLN HG2 H 1 2.301 0.04 . 2 . . . . A 113 GLN HG2 . 30348 1 1214 . 1 1 134 134 GLN HG3 H 1 2.301 0.04 . 2 . . . . A 113 GLN HG3 . 30348 1 1215 . 1 1 134 134 GLN C C 13 175.570 0.40 . 1 . . . . A 113 GLN C . 30348 1 1216 . 1 1 134 134 GLN CA C 13 55.698 0.40 . 1 . . . . A 113 GLN CA . 30348 1 1217 . 1 1 134 134 GLN CB C 13 29.357 0.40 . 1 . . . . A 113 GLN CB . 30348 1 1218 . 1 1 134 134 GLN CG C 13 33.750 0.40 . 1 . . . . A 113 GLN CG . 30348 1 1219 . 1 1 134 134 GLN N N 15 122.609 0.40 . 1 . . . . A 113 GLN N . 30348 1 1220 . 1 1 135 135 LEU H H 1 8.058 0.04 . 1 . . . . A 114 LEU H . 30348 1 1221 . 1 1 135 135 LEU HA H 1 4.282 0.04 . 1 . . . . A 114 LEU HA . 30348 1 1222 . 1 1 135 135 LEU HB2 H 1 1.632 0.04 . 2 . . . . A 114 LEU HB2 . 30348 1 1223 . 1 1 135 135 LEU HB3 H 1 1.632 0.04 . 2 . . . . A 114 LEU HB3 . 30348 1 1224 . 1 1 135 135 LEU HD11 H 1 0.921 0.04 . 2 . . . . A 114 LEU HD11 . 30348 1 1225 . 1 1 135 135 LEU HD12 H 1 0.921 0.04 . 2 . . . . A 114 LEU HD12 . 30348 1 1226 . 1 1 135 135 LEU HD13 H 1 0.921 0.04 . 2 . . . . A 114 LEU HD13 . 30348 1 1227 . 1 1 135 135 LEU HD21 H 1 0.869 0.04 . 2 . . . . A 114 LEU HD21 . 30348 1 1228 . 1 1 135 135 LEU HD22 H 1 0.869 0.04 . 2 . . . . A 114 LEU HD22 . 30348 1 1229 . 1 1 135 135 LEU HD23 H 1 0.869 0.04 . 2 . . . . A 114 LEU HD23 . 30348 1 1230 . 1 1 135 135 LEU C C 13 177.417 0.40 . 1 . . . . A 114 LEU C . 30348 1 1231 . 1 1 135 135 LEU CA C 13 55.286 0.40 . 1 . . . . A 114 LEU CA . 30348 1 1232 . 1 1 135 135 LEU CB C 13 42.513 0.40 . 1 . . . . A 114 LEU CB . 30348 1 1233 . 1 1 135 135 LEU CD1 C 13 24.943 0.40 . 2 . . . . A 114 LEU CD1 . 30348 1 1234 . 1 1 135 135 LEU CD2 C 13 23.469 0.40 . 2 . . . . A 114 LEU CD2 . 30348 1 1235 . 1 1 135 135 LEU N N 15 123.072 0.40 . 1 . . . . A 114 LEU N . 30348 1 1236 . 1 1 136 136 GLU H H 1 8.333 0.04 . 1 . . . . A 115 GLU H . 30348 1 1237 . 1 1 136 136 GLU HA H 1 4.284 0.04 . 1 . . . . A 115 GLU HA . 30348 1 1238 . 1 1 136 136 GLU HB2 H 1 2.084 0.04 . 2 . . . . A 115 GLU HB2 . 30348 1 1239 . 1 1 136 136 GLU HB3 H 1 1.965 0.04 . 2 . . . . A 115 GLU HB3 . 30348 1 1240 . 1 1 136 136 GLU C C 13 179.159 0.40 . 1 . . . . A 115 GLU C . 30348 1 1241 . 1 1 136 136 GLU CA C 13 56.901 0.40 . 1 . . . . A 115 GLU CA . 30348 1 1242 . 1 1 136 136 GLU CB C 13 29.878 0.40 . 1 . . . . A 115 GLU CB . 30348 1 1243 . 1 1 136 136 GLU N N 15 121.837 0.40 . 1 . . . . A 115 GLU N . 30348 1 1244 . 1 1 137 137 GLU H H 1 8.340 0.04 . 1 . . . . A 116 GLU H . 30348 1 1245 . 1 1 137 137 GLU HA H 1 4.849 0.04 . 1 . . . . A 116 GLU HA . 30348 1 1246 . 1 1 137 137 GLU HB2 H 1 2.062 0.04 . 2 . . . . A 116 GLU HB2 . 30348 1 1247 . 1 1 137 137 GLU HB3 H 1 1.936 0.04 . 2 . . . . A 116 GLU HB3 . 30348 1 1248 . 1 1 137 137 GLU HG2 H 1 2.621 0.04 . 2 . . . . A 116 GLU HG2 . 30348 1 1249 . 1 1 137 137 GLU HG3 H 1 2.550 0.04 . 2 . . . . A 116 GLU HG3 . 30348 1 1250 . 1 1 137 137 GLU CA C 13 52.966 0.40 . 1 . . . . A 116 GLU CA . 30348 1 1251 . 1 1 137 137 GLU CB C 13 32.681 0.40 . 1 . . . . A 116 GLU CB . 30348 1 1252 . 1 1 137 137 GLU N N 15 118.901 0.40 . 1 . . . . A 116 GLU N . 30348 1 stop_ save_