data_25243 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25243 _Entry.Title ; AN ARSENATE REDUCTASE IN OXIDIZED STATE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-23 _Entry.Accession_date 2014-09-23 _Entry.Last_release_date 2015-08-03 _Entry.Original_release_date 2015-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Changwen Jin . . . . 25243 2 Cuiyun Hu . . . . 25243 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25243 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha/beta/alpha sandwich fold' . 25243 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25243 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 542 25243 '15N chemical shifts' 138 25243 '1H chemical shifts' 875 25243 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-09-22 2014-09-23 update BMRB 'update entry citation' 25243 1 . . 2015-08-03 2014-09-23 original author 'original release' 25243 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MV5 'BMRB Entry Tracking System' 25243 stop_ save_ ############### # Citations # ############### save_ArsC _Citation.Sf_category citations _Citation.Sf_framecode ArsC _Citation.Entry_ID 25243 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26224634 _Citation.Full_citation . _Citation.Title ; A Hybrid Mechanism for the Synechocystis Arsenate Reductase Revealed by Structural Snapshots during Arsenate Reduction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 36 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 22262 _Citation.Page_last 22273 _Citation.Year 2015 _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 Changwen Jin . . . . 25243 1 2 Cuiyun Hu . . . . 25243 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25243 _Assembly.ID 1 _Assembly.Name 'Arsenate Reductase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Arsenate Reductase' 1 $entity A . yes native no no . . . 25243 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25243 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKKVMFVSKRNSSRSQMAEG FAKTLGAGKIAVTSSGLESS RVHPTAIAMMEEVGIDISGQ TSDPIENFNADDYDVVISLC GCGVNLPPEWVTQEIFEDWQ LEDPDGQSLEVFRTVRGQVK ERVENLIAKIS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14409.351 _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 . MET . 25243 1 2 . LYS . 25243 1 3 . LYS . 25243 1 4 . VAL . 25243 1 5 . MET . 25243 1 6 . PHE . 25243 1 7 . VAL . 25243 1 8 . SER . 25243 1 9 . LYS . 25243 1 10 . ARG . 25243 1 11 . ASN . 25243 1 12 . SER . 25243 1 13 . SER . 25243 1 14 . ARG . 25243 1 15 . SER . 25243 1 16 . GLN . 25243 1 17 . MET . 25243 1 18 . ALA . 25243 1 19 . GLU . 25243 1 20 . GLY . 25243 1 21 . PHE . 25243 1 22 . ALA . 25243 1 23 . LYS . 25243 1 24 . THR . 25243 1 25 . LEU . 25243 1 26 . GLY . 25243 1 27 . ALA . 25243 1 28 . GLY . 25243 1 29 . LYS . 25243 1 30 . ILE . 25243 1 31 . ALA . 25243 1 32 . VAL . 25243 1 33 . THR . 25243 1 34 . SER . 25243 1 35 . SER . 25243 1 36 . GLY . 25243 1 37 . LEU . 25243 1 38 . GLU . 25243 1 39 . SER . 25243 1 40 . SER . 25243 1 41 . ARG . 25243 1 42 . VAL . 25243 1 43 . HIS . 25243 1 44 . PRO . 25243 1 45 . THR . 25243 1 46 . ALA . 25243 1 47 . ILE . 25243 1 48 . ALA . 25243 1 49 . MET . 25243 1 50 . MET . 25243 1 51 . GLU . 25243 1 52 . GLU . 25243 1 53 . VAL . 25243 1 54 . GLY . 25243 1 55 . ILE . 25243 1 56 . ASP . 25243 1 57 . ILE . 25243 1 58 . SER . 25243 1 59 . GLY . 25243 1 60 . GLN . 25243 1 61 . THR . 25243 1 62 . SER . 25243 1 63 . ASP . 25243 1 64 . PRO . 25243 1 65 . ILE . 25243 1 66 . GLU . 25243 1 67 . ASN . 25243 1 68 . PHE . 25243 1 69 . ASN . 25243 1 70 . ALA . 25243 1 71 . ASP . 25243 1 72 . ASP . 25243 1 73 . TYR . 25243 1 74 . ASP . 25243 1 75 . VAL . 25243 1 76 . VAL . 25243 1 77 . ILE . 25243 1 78 . SER . 25243 1 79 . LEU . 25243 1 80 . CYS . 25243 1 81 . GLY . 25243 1 82 . CYS . 25243 1 83 . GLY . 25243 1 84 . VAL . 25243 1 85 . ASN . 25243 1 86 . LEU . 25243 1 87 . PRO . 25243 1 88 . PRO . 25243 1 89 . GLU . 25243 1 90 . TRP . 25243 1 91 . VAL . 25243 1 92 . THR . 25243 1 93 . GLN . 25243 1 94 . GLU . 25243 1 95 . ILE . 25243 1 96 . PHE . 25243 1 97 . GLU . 25243 1 98 . ASP . 25243 1 99 . TRP . 25243 1 100 . GLN . 25243 1 101 . LEU . 25243 1 102 . GLU . 25243 1 103 . ASP . 25243 1 104 . PRO . 25243 1 105 . ASP . 25243 1 106 . GLY . 25243 1 107 . GLN . 25243 1 108 . SER . 25243 1 109 . LEU . 25243 1 110 . GLU . 25243 1 111 . VAL . 25243 1 112 . PHE . 25243 1 113 . ARG . 25243 1 114 . THR . 25243 1 115 . VAL . 25243 1 116 . ARG . 25243 1 117 . GLY . 25243 1 118 . GLN . 25243 1 119 . VAL . 25243 1 120 . LYS . 25243 1 121 . GLU . 25243 1 122 . ARG . 25243 1 123 . VAL . 25243 1 124 . GLU . 25243 1 125 . ASN . 25243 1 126 . LEU . 25243 1 127 . ILE . 25243 1 128 . ALA . 25243 1 129 . LYS . 25243 1 130 . ILE . 25243 1 131 . SER . 25243 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 25243 1 . LYS 2 2 25243 1 . LYS 3 3 25243 1 . VAL 4 4 25243 1 . MET 5 5 25243 1 . PHE 6 6 25243 1 . VAL 7 7 25243 1 . SER 8 8 25243 1 . LYS 9 9 25243 1 . ARG 10 10 25243 1 . ASN 11 11 25243 1 . SER 12 12 25243 1 . SER 13 13 25243 1 . ARG 14 14 25243 1 . SER 15 15 25243 1 . GLN 16 16 25243 1 . MET 17 17 25243 1 . ALA 18 18 25243 1 . GLU 19 19 25243 1 . GLY 20 20 25243 1 . PHE 21 21 25243 1 . ALA 22 22 25243 1 . LYS 23 23 25243 1 . THR 24 24 25243 1 . LEU 25 25 25243 1 . GLY 26 26 25243 1 . ALA 27 27 25243 1 . GLY 28 28 25243 1 . LYS 29 29 25243 1 . ILE 30 30 25243 1 . ALA 31 31 25243 1 . VAL 32 32 25243 1 . THR 33 33 25243 1 . SER 34 34 25243 1 . SER 35 35 25243 1 . GLY 36 36 25243 1 . LEU 37 37 25243 1 . GLU 38 38 25243 1 . SER 39 39 25243 1 . SER 40 40 25243 1 . ARG 41 41 25243 1 . VAL 42 42 25243 1 . HIS 43 43 25243 1 . PRO 44 44 25243 1 . THR 45 45 25243 1 . ALA 46 46 25243 1 . ILE 47 47 25243 1 . ALA 48 48 25243 1 . MET 49 49 25243 1 . MET 50 50 25243 1 . GLU 51 51 25243 1 . GLU 52 52 25243 1 . VAL 53 53 25243 1 . GLY 54 54 25243 1 . ILE 55 55 25243 1 . ASP 56 56 25243 1 . ILE 57 57 25243 1 . SER 58 58 25243 1 . GLY 59 59 25243 1 . GLN 60 60 25243 1 . THR 61 61 25243 1 . SER 62 62 25243 1 . ASP 63 63 25243 1 . PRO 64 64 25243 1 . ILE 65 65 25243 1 . GLU 66 66 25243 1 . ASN 67 67 25243 1 . PHE 68 68 25243 1 . ASN 69 69 25243 1 . ALA 70 70 25243 1 . ASP 71 71 25243 1 . ASP 72 72 25243 1 . TYR 73 73 25243 1 . ASP 74 74 25243 1 . VAL 75 75 25243 1 . VAL 76 76 25243 1 . ILE 77 77 25243 1 . SER 78 78 25243 1 . LEU 79 79 25243 1 . CYS 80 80 25243 1 . GLY 81 81 25243 1 . CYS 82 82 25243 1 . GLY 83 83 25243 1 . VAL 84 84 25243 1 . ASN 85 85 25243 1 . LEU 86 86 25243 1 . PRO 87 87 25243 1 . PRO 88 88 25243 1 . GLU 89 89 25243 1 . TRP 90 90 25243 1 . VAL 91 91 25243 1 . THR 92 92 25243 1 . GLN 93 93 25243 1 . GLU 94 94 25243 1 . ILE 95 95 25243 1 . PHE 96 96 25243 1 . GLU 97 97 25243 1 . ASP 98 98 25243 1 . TRP 99 99 25243 1 . GLN 100 100 25243 1 . LEU 101 101 25243 1 . GLU 102 102 25243 1 . ASP 103 103 25243 1 . PRO 104 104 25243 1 . ASP 105 105 25243 1 . GLY 106 106 25243 1 . GLN 107 107 25243 1 . SER 108 108 25243 1 . LEU 109 109 25243 1 . GLU 110 110 25243 1 . VAL 111 111 25243 1 . PHE 112 112 25243 1 . ARG 113 113 25243 1 . THR 114 114 25243 1 . VAL 115 115 25243 1 . ARG 116 116 25243 1 . GLY 117 117 25243 1 . GLN 118 118 25243 1 . VAL 119 119 25243 1 . LYS 120 120 25243 1 . GLU 121 121 25243 1 . ARG 122 122 25243 1 . VAL 123 123 25243 1 . GLU 124 124 25243 1 . ASN 125 125 25243 1 . LEU 126 126 25243 1 . ILE 127 127 25243 1 . ALA 128 128 25243 1 . LYS 129 129 25243 1 . ILE 130 130 25243 1 . SER 131 131 25243 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 25243 _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 . 1142 organism . Synechocystis Synechocystis . . Bacteria . Synechocystis . . . . . . . . . . . . . . 25243 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 25243 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21a(+) . . . 25243 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25243 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein [U-15N] . . 1 $entity . . 0.3 . . mM . . . . 25243 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25243 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25243 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25243 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-13C; U-15N]' . . 1 $entity . . 0.3 . . mM . . . . 25243 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25243 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25243 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25243 _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 pH 7 . pH 25243 1 pressure 1 . atm 25243 1 temperature 298 . K 25243 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25243 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25243 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25243 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25243 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25243 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25243 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_500_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_500_MHz _NMR_spectrometer.Entry_ID 25243 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_Bruker_Avance_800_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_800_MHz _NMR_spectrometer.Entry_ID 25243 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25243 _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 Bruker_Avance_500_MHz Bruker Avance . 500 . . . 25243 1 2 Bruker_Avance_800_MHz Bruker Avance . 800 . . . 25243 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 25243 _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 . . . 1 $Bruker_Avance_500_MHz . . . . . . . . . . . . . . . . 25243 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_500_MHz . . . . . . . . . . . . . . . . 25243 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_500_MHz . . . . . . . . . . . . . . . . 25243 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_500_MHz . . . . . . . . . . . . . . . . 25243 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_500_MHz . . . . . . . . . . . . . . . . 25243 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_500_MHz . . . . . . . . . . . . . . . . 25243 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance_800_MHz . . . . . . . . . . . . . . . . 25243 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance_800_MHz . . . . . . . . . . . . . . . . 25243 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance_800_MHz . . . . . . . . . . . . . . . . 25243 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance_800_MHz . . . . . . . . . . . . . . . . 25243 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25243 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25243 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25243 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25243 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25243 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25243 1 2 '3D HNCO' . . . 25243 1 3 '3D CBCA(CO)NH' . . . 25243 1 4 '3D HNCACB' . . . 25243 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.013 . . . . . . A 1 MET HA . 25243 1 2 . 1 1 1 1 MET HB2 H 1 2.056 . . . . . . A 1 MET HB2 . 25243 1 3 . 1 1 1 1 MET HB3 H 1 1.945 . . . . . . A 1 MET HB3 . 25243 1 4 . 1 1 1 1 MET HG2 H 1 2.320 . . . . . . A 1 MET HG2 . 25243 1 5 . 1 1 1 1 MET HG3 H 1 2.414 . . . . . . A 1 MET HG3 . 25243 1 6 . 1 1 1 1 MET C C 13 179.754 . . . . . . A 1 MET C . 25243 1 7 . 1 1 1 1 MET CA C 13 55.224 . . . . . . A 1 MET CA . 25243 1 8 . 1 1 1 1 MET CB C 13 34.110 . . . . . . A 1 MET CB . 25243 1 9 . 1 1 1 1 MET CG C 13 30.718 . . . . . . A 1 MET CG . 25243 1 10 . 1 1 2 2 LYS H H 1 8.440 . . . . . . A 2 LYS H . 25243 1 11 . 1 1 2 2 LYS HA H 1 4.582 . . . . . . A 2 LYS HA . 25243 1 12 . 1 1 2 2 LYS HB2 H 1 1.828 . . . . . . A 2 LYS HB2 . 25243 1 13 . 1 1 2 2 LYS HB3 H 1 1.562 . . . . . . A 2 LYS HB3 . 25243 1 14 . 1 1 2 2 LYS HG2 H 1 1.497 . . . . . . A 2 LYS HG2 . 25243 1 15 . 1 1 2 2 LYS HG3 H 1 1.581 . . . . . . A 2 LYS HG3 . 25243 1 16 . 1 1 2 2 LYS HD2 H 1 1.655 . . . . . . A 2 LYS HD2 . 25243 1 17 . 1 1 2 2 LYS HD3 H 1 1.503 . . . . . . A 2 LYS HD3 . 25243 1 18 . 1 1 2 2 LYS HE2 H 1 2.994 . . . . . . A 2 LYS HE2 . 25243 1 19 . 1 1 2 2 LYS C C 13 178.616 . . . . . . A 2 LYS C . 25243 1 20 . 1 1 2 2 LYS CA C 13 55.470 . . . . . . A 2 LYS CA . 25243 1 21 . 1 1 2 2 LYS CB C 13 34.485 . . . . . . A 2 LYS CB . 25243 1 22 . 1 1 2 2 LYS CG C 13 25.356 . . . . . . A 2 LYS CG . 25243 1 23 . 1 1 2 2 LYS CD C 13 28.931 . . . . . . A 2 LYS CD . 25243 1 24 . 1 1 2 2 LYS CE C 13 42.160 . . . . . . A 2 LYS CE . 25243 1 25 . 1 1 2 2 LYS N N 15 124.318 . . . . . . A 2 LYS N . 25243 1 26 . 1 1 3 3 LYS H H 1 9.799 . . . . . . A 3 LYS H . 25243 1 27 . 1 1 3 3 LYS HA H 1 5.081 . . . . . . A 3 LYS HA . 25243 1 28 . 1 1 3 3 LYS HB2 H 1 1.721 . . . . . . A 3 LYS HB2 . 25243 1 29 . 1 1 3 3 LYS HB3 H 1 1.721 . . . . . . A 3 LYS HB3 . 25243 1 30 . 1 1 3 3 LYS HG2 H 1 1.497 . . . . . . A 3 LYS HG2 . 25243 1 31 . 1 1 3 3 LYS HG3 H 1 1.309 . . . . . . A 3 LYS HG3 . 25243 1 32 . 1 1 3 3 LYS HD2 H 1 1.501 . . . . . . A 3 LYS HD2 . 25243 1 33 . 1 1 3 3 LYS HD3 H 1 1.501 . . . . . . A 3 LYS HD3 . 25243 1 34 . 1 1 3 3 LYS HE2 H 1 2.752 . . . . . . A 3 LYS HE2 . 25243 1 35 . 1 1 3 3 LYS C C 13 177.360 . . . . . . A 3 LYS C . 25243 1 36 . 1 1 3 3 LYS CA C 13 55.850 . . . . . . A 3 LYS CA . 25243 1 37 . 1 1 3 3 LYS CB C 13 33.840 . . . . . . A 3 LYS CB . 25243 1 38 . 1 1 3 3 LYS CG C 13 25.096 . . . . . . A 3 LYS CG . 25243 1 39 . 1 1 3 3 LYS CD C 13 28.700 . . . . . . A 3 LYS CD . 25243 1 40 . 1 1 3 3 LYS CE C 13 41.727 . . . . . . A 3 LYS CE . 25243 1 41 . 1 1 3 3 LYS N N 15 123.564 . . . . . . A 3 LYS N . 25243 1 42 . 1 1 4 4 VAL H H 1 9.081 . . . . . . A 4 VAL H . 25243 1 43 . 1 1 4 4 VAL HA H 1 5.010 . . . . . . A 4 VAL HA . 25243 1 44 . 1 1 4 4 VAL HB H 1 1.777 . . . . . . A 4 VAL HB . 25243 1 45 . 1 1 4 4 VAL HG11 H 1 0.671 . . . . . . A 4 VAL HG11 . 25243 1 46 . 1 1 4 4 VAL HG12 H 1 0.671 . . . . . . A 4 VAL HG12 . 25243 1 47 . 1 1 4 4 VAL HG13 H 1 0.671 . . . . . . A 4 VAL HG13 . 25243 1 48 . 1 1 4 4 VAL HG21 H 1 0.035 . . . . . . A 4 VAL HG21 . 25243 1 49 . 1 1 4 4 VAL HG22 H 1 0.035 . . . . . . A 4 VAL HG22 . 25243 1 50 . 1 1 4 4 VAL HG23 H 1 0.035 . . . . . . A 4 VAL HG23 . 25243 1 51 . 1 1 4 4 VAL C C 13 180.497 . . . . . . A 4 VAL C . 25243 1 52 . 1 1 4 4 VAL CA C 13 60.378 . . . . . . A 4 VAL CA . 25243 1 53 . 1 1 4 4 VAL CB C 13 34.753 . . . . . . A 4 VAL CB . 25243 1 54 . 1 1 4 4 VAL CG1 C 13 21.232 . . . . . . A 4 VAL CG1 . 25243 1 55 . 1 1 4 4 VAL CG2 C 13 20.690 . . . . . . A 4 VAL CG2 . 25243 1 56 . 1 1 4 4 VAL N N 15 126.282 . . . . . . A 4 VAL N . 25243 1 57 . 1 1 5 5 MET H H 1 8.702 . . . . . . A 5 MET H . 25243 1 58 . 1 1 5 5 MET HA H 1 4.861 . . . . . . A 5 MET HA . 25243 1 59 . 1 1 5 5 MET HB2 H 1 0.983 . . . . . . A 5 MET HB2 . 25243 1 60 . 1 1 5 5 MET HB3 H 1 1.556 . . . . . . A 5 MET HB3 . 25243 1 61 . 1 1 5 5 MET HG2 H 1 1.716 . . . . . . A 5 MET HG2 . 25243 1 62 . 1 1 5 5 MET HG3 H 1 1.511 . . . . . . A 5 MET HG3 . 25243 1 63 . 1 1 5 5 MET HE1 H 1 0.609 . . . . . . A 5 MET HE1 . 25243 1 64 . 1 1 5 5 MET HE2 H 1 0.609 . . . . . . A 5 MET HE2 . 25243 1 65 . 1 1 5 5 MET HE3 H 1 0.609 . . . . . . A 5 MET HE3 . 25243 1 66 . 1 1 5 5 MET C C 13 179.658 . . . . . . A 5 MET C . 25243 1 67 . 1 1 5 5 MET CA C 13 51.980 . . . . . . A 5 MET CA . 25243 1 68 . 1 1 5 5 MET CB C 13 33.270 . . . . . . A 5 MET CB . 25243 1 69 . 1 1 5 5 MET CG C 13 31.756 . . . . . . A 5 MET CG . 25243 1 70 . 1 1 5 5 MET CE C 13 16.707 . . . . . . A 5 MET CE . 25243 1 71 . 1 1 5 5 MET N N 15 125.603 . . . . . . A 5 MET N . 25243 1 72 . 1 1 6 6 PHE H H 1 8.270 . . . . . . A 6 PHE H . 25243 1 73 . 1 1 6 6 PHE HA H 1 5.225 . . . . . . A 6 PHE HA . 25243 1 74 . 1 1 6 6 PHE HB2 H 1 2.589 . . . . . . A 6 PHE HB2 . 25243 1 75 . 1 1 6 6 PHE HB3 H 1 2.469 . . . . . . A 6 PHE HB3 . 25243 1 76 . 1 1 6 6 PHE HD1 H 1 6.771 . . . . . . A 6 PHE HD1 . 25243 1 77 . 1 1 6 6 PHE HE1 H 1 6.918 . . . . . . A 6 PHE HE1 . 25243 1 78 . 1 1 6 6 PHE HZ H 1 6.846 . . . . . . A 6 PHE HZ . 25243 1 79 . 1 1 6 6 PHE C C 13 179.066 . . . . . . A 6 PHE C . 25243 1 80 . 1 1 6 6 PHE CA C 13 56.480 . . . . . . A 6 PHE CA . 25243 1 81 . 1 1 6 6 PHE CB C 13 41.650 . . . . . . A 6 PHE CB . 25243 1 82 . 1 1 6 6 PHE CD1 C 13 131.620 . . . . . . A 6 PHE CD1 . 25243 1 83 . 1 1 6 6 PHE CE1 C 13 130.685 . . . . . . A 6 PHE CE1 . 25243 1 84 . 1 1 6 6 PHE CZ C 13 127.960 . . . . . . A 6 PHE CZ . 25243 1 85 . 1 1 6 6 PHE N N 15 124.757 . . . . . . A 6 PHE N . 25243 1 86 . 1 1 7 7 VAL H H 1 9.257 . . . . . . A 7 VAL H . 25243 1 87 . 1 1 7 7 VAL HA H 1 5.082 . . . . . . A 7 VAL HA . 25243 1 88 . 1 1 7 7 VAL HB H 1 1.543 . . . . . . A 7 VAL HB . 25243 1 89 . 1 1 7 7 VAL HG11 H 1 0.699 . . . . . . A 7 VAL HG11 . 25243 1 90 . 1 1 7 7 VAL HG12 H 1 0.699 . . . . . . A 7 VAL HG12 . 25243 1 91 . 1 1 7 7 VAL HG13 H 1 0.699 . . . . . . A 7 VAL HG13 . 25243 1 92 . 1 1 7 7 VAL HG21 H 1 0.318 . . . . . . A 7 VAL HG21 . 25243 1 93 . 1 1 7 7 VAL HG22 H 1 0.318 . . . . . . A 7 VAL HG22 . 25243 1 94 . 1 1 7 7 VAL HG23 H 1 0.318 . . . . . . A 7 VAL HG23 . 25243 1 95 . 1 1 7 7 VAL C C 13 177.691 . . . . . . A 7 VAL C . 25243 1 96 . 1 1 7 7 VAL CA C 13 59.990 . . . . . . A 7 VAL CA . 25243 1 97 . 1 1 7 7 VAL CB C 13 34.870 . . . . . . A 7 VAL CB . 25243 1 98 . 1 1 7 7 VAL CG1 C 13 20.592 . . . . . . A 7 VAL CG1 . 25243 1 99 . 1 1 7 7 VAL CG2 C 13 20.748 . . . . . . A 7 VAL CG2 . 25243 1 100 . 1 1 7 7 VAL N N 15 121.955 . . . . . . A 7 VAL N . 25243 1 101 . 1 1 8 8 SER H H 1 8.761 . . . . . . A 8 SER H . 25243 1 102 . 1 1 8 8 SER HA H 1 5.087 . . . . . . A 8 SER HA . 25243 1 103 . 1 1 8 8 SER HB2 H 1 3.251 . . . . . . A 8 SER HB2 . 25243 1 104 . 1 1 8 8 SER HB3 H 1 3.678 . . . . . . A 8 SER HB3 . 25243 1 105 . 1 1 8 8 SER C C 13 181.225 . . . . . . A 8 SER C . 25243 1 106 . 1 1 8 8 SER CA C 13 57.580 . . . . . . A 8 SER CA . 25243 1 107 . 1 1 8 8 SER CB C 13 63.622 . . . . . . A 8 SER CB . 25243 1 108 . 1 1 8 8 SER N N 15 119.968 . . . . . . A 8 SER N . 25243 1 109 . 1 1 9 9 LYS H H 1 8.992 . . . . . . A 9 LYS H . 25243 1 110 . 1 1 9 9 LYS HA H 1 4.175 . . . . . . A 9 LYS HA . 25243 1 111 . 1 1 9 9 LYS HB2 H 1 1.911 . . . . . . A 9 LYS HB2 . 25243 1 112 . 1 1 9 9 LYS HB3 H 1 2.126 . . . . . . A 9 LYS HB3 . 25243 1 113 . 1 1 9 9 LYS HG2 H 1 1.541 . . . . . . A 9 LYS HG2 . 25243 1 114 . 1 1 9 9 LYS HG3 H 1 1.413 . . . . . . A 9 LYS HG3 . 25243 1 115 . 1 1 9 9 LYS HD2 H 1 1.828 . . . . . . A 9 LYS HD2 . 25243 1 116 . 1 1 9 9 LYS HD3 H 1 1.682 . . . . . . A 9 LYS HD3 . 25243 1 117 . 1 1 9 9 LYS HE2 H 1 2.995 . . . . . . A 9 LYS HE2 . 25243 1 118 . 1 1 9 9 LYS C C 13 175.564 . . . . . . A 9 LYS C . 25243 1 119 . 1 1 9 9 LYS CA C 13 60.924 . . . . . . A 9 LYS CA . 25243 1 120 . 1 1 9 9 LYS CB C 13 32.940 . . . . . . A 9 LYS CB . 25243 1 121 . 1 1 9 9 LYS CG C 13 25.837 . . . . . . A 9 LYS CG . 25243 1 122 . 1 1 9 9 LYS CD C 13 29.338 . . . . . . A 9 LYS CD . 25243 1 123 . 1 1 9 9 LYS CE C 13 41.957 . . . . . . A 9 LYS CE . 25243 1 124 . 1 1 9 9 LYS N N 15 121.488 . . . . . . A 9 LYS N . 25243 1 125 . 1 1 10 10 ARG H H 1 8.240 . . . . . . A 10 ARG H . 25243 1 126 . 1 1 10 10 ARG HA H 1 4.967 . . . . . . A 10 ARG HA . 25243 1 127 . 1 1 10 10 ARG HB2 H 1 1.952 . . . . . . A 10 ARG HB2 . 25243 1 128 . 1 1 10 10 ARG HB3 H 1 1.782 . . . . . . A 10 ARG HB3 . 25243 1 129 . 1 1 10 10 ARG HG3 H 1 1.522 . . . . . . A 10 ARG HG3 . 25243 1 130 . 1 1 10 10 ARG HD2 H 1 3.262 . . . . . . A 10 ARG HD2 . 25243 1 131 . 1 1 10 10 ARG HD3 H 1 3.175 . . . . . . A 10 ARG HD3 . 25243 1 132 . 1 1 10 10 ARG C C 13 177.727 . . . . . . A 10 ARG C . 25243 1 133 . 1 1 10 10 ARG CA C 13 54.720 . . . . . . A 10 ARG CA . 25243 1 134 . 1 1 10 10 ARG CB C 13 30.831 . . . . . . A 10 ARG CB . 25243 1 135 . 1 1 10 10 ARG CG C 13 28.034 . . . . . . A 10 ARG CG . 25243 1 136 . 1 1 10 10 ARG CD C 13 43.370 . . . . . . A 10 ARG CD . 25243 1 137 . 1 1 10 10 ARG N N 15 113.427 . . . . . . A 10 ARG N . 25243 1 138 . 1 1 11 11 ASN H H 1 7.552 . . . . . . A 11 ASN H . 25243 1 139 . 1 1 11 11 ASN HA H 1 3.776 . . . . . . A 11 ASN HA . 25243 1 140 . 1 1 11 11 ASN HB2 H 1 3.017 . . . . . . A 11 ASN HB2 . 25243 1 141 . 1 1 11 11 ASN HB3 H 1 2.096 . . . . . . A 11 ASN HB3 . 25243 1 142 . 1 1 11 11 ASN HD21 H 1 7.784 . . . . . . A 11 ASN HD21 . 25243 1 143 . 1 1 11 11 ASN HD22 H 1 7.697 . . . . . . A 11 ASN HD22 . 25243 1 144 . 1 1 11 11 ASN C C 13 179.330 . . . . . . A 11 ASN C . 25243 1 145 . 1 1 11 11 ASN CA C 13 53.869 . . . . . . A 11 ASN CA . 25243 1 146 . 1 1 11 11 ASN CB C 13 38.680 . . . . . . A 11 ASN CB . 25243 1 147 . 1 1 11 11 ASN N N 15 115.702 . . . . . . A 11 ASN N . 25243 1 148 . 1 1 11 11 ASN ND2 N 15 107.887 . . . . . . A 11 ASN ND2 . 25243 1 149 . 1 1 12 12 SER H H 1 10.100 . . . . . . A 12 SER H . 25243 1 150 . 1 1 12 12 SER HA H 1 5.226 . . . . . . A 12 SER HA . 25243 1 151 . 1 1 12 12 SER HB2 H 1 4.102 . . . . . . A 12 SER HB2 . 25243 1 152 . 1 1 12 12 SER HB3 H 1 4.058 . . . . . . A 12 SER HB3 . 25243 1 153 . 1 1 12 12 SER C C 13 178.054 . . . . . . A 12 SER C . 25243 1 154 . 1 1 12 12 SER CA C 13 59.120 . . . . . . A 12 SER CA . 25243 1 155 . 1 1 12 12 SER CB C 13 67.090 . . . . . . A 12 SER CB . 25243 1 156 . 1 1 12 12 SER N N 15 117.130 . . . . . . A 12 SER N . 25243 1 157 . 1 1 13 13 SER H H 1 9.285 . . . . . . A 13 SER H . 25243 1 158 . 1 1 13 13 SER HA H 1 4.326 . . . . . . A 13 SER HA . 25243 1 159 . 1 1 13 13 SER HB2 H 1 3.804 . . . . . . A 13 SER HB2 . 25243 1 160 . 1 1 13 13 SER HB3 H 1 3.924 . . . . . . A 13 SER HB3 . 25243 1 161 . 1 1 13 13 SER CA C 13 60.680 . . . . . . A 13 SER CA . 25243 1 162 . 1 1 13 13 SER CB C 13 65.430 . . . . . . A 13 SER CB . 25243 1 163 . 1 1 13 13 SER N N 15 115.968 . . . . . . A 13 SER N . 25243 1 164 . 1 1 15 15 SER HA H 1 3.872 . . . . . . A 15 SER HA . 25243 1 165 . 1 1 15 15 SER HB2 H 1 3.947 . . . . . . A 15 SER HB2 . 25243 1 166 . 1 1 15 15 SER HB3 H 1 3.765 . . . . . . A 15 SER HB3 . 25243 1 167 . 1 1 15 15 SER CA C 13 59.761 . . . . . . A 15 SER CA . 25243 1 168 . 1 1 15 15 SER CB C 13 63.169 . . . . . . A 15 SER CB . 25243 1 169 . 1 1 16 16 GLN H H 1 6.139 . . . . . . A 16 GLN H . 25243 1 170 . 1 1 16 16 GLN HA H 1 4.138 . . . . . . A 16 GLN HA . 25243 1 171 . 1 1 16 16 GLN HB2 H 1 2.043 . . . . . . A 16 GLN HB2 . 25243 1 172 . 1 1 16 16 GLN HB3 H 1 1.497 . . . . . . A 16 GLN HB3 . 25243 1 173 . 1 1 16 16 GLN HG2 H 1 2.234 . . . . . . A 16 GLN HG2 . 25243 1 174 . 1 1 16 16 GLN HG3 H 1 1.652 . . . . . . A 16 GLN HG3 . 25243 1 175 . 1 1 16 16 GLN HE21 H 1 6.455 . . . . . . A 16 GLN HE21 . 25243 1 176 . 1 1 16 16 GLN HE22 H 1 6.266 . . . . . . A 16 GLN HE22 . 25243 1 177 . 1 1 16 16 GLN C C 13 174.291 . . . . . . A 16 GLN C . 25243 1 178 . 1 1 16 16 GLN CA C 13 57.672 . . . . . . A 16 GLN CA . 25243 1 179 . 1 1 16 16 GLN CB C 13 26.816 . . . . . . A 16 GLN CB . 25243 1 180 . 1 1 16 16 GLN CG C 13 30.778 . . . . . . A 16 GLN CG . 25243 1 181 . 1 1 16 16 GLN N N 15 121.248 . . . . . . A 16 GLN N . 25243 1 182 . 1 1 16 16 GLN NE2 N 15 107.418 . . . . . . A 16 GLN NE2 . 25243 1 183 . 1 1 17 17 MET H H 1 8.359 . . . . . . A 17 MET H . 25243 1 184 . 1 1 17 17 MET HA H 1 3.854 . . . . . . A 17 MET HA . 25243 1 185 . 1 1 17 17 MET HB2 H 1 2.361 . . . . . . A 17 MET HB2 . 25243 1 186 . 1 1 17 17 MET HB3 H 1 3.017 . . . . . . A 17 MET HB3 . 25243 1 187 . 1 1 17 17 MET HG2 H 1 2.086 . . . . . . A 17 MET HG2 . 25243 1 188 . 1 1 17 17 MET HG3 H 1 2.327 . . . . . . A 17 MET HG3 . 25243 1 189 . 1 1 17 17 MET HE1 H 1 2.081 . . . . . . A 17 MET HE1 . 25243 1 190 . 1 1 17 17 MET HE2 H 1 2.081 . . . . . . A 17 MET HE2 . 25243 1 191 . 1 1 17 17 MET HE3 H 1 2.081 . . . . . . A 17 MET HE3 . 25243 1 192 . 1 1 17 17 MET C C 13 176.788 . . . . . . A 17 MET C . 25243 1 193 . 1 1 17 17 MET CA C 13 60.290 . . . . . . A 17 MET CA . 25243 1 194 . 1 1 17 17 MET CB C 13 32.966 . . . . . . A 17 MET CB . 25243 1 195 . 1 1 17 17 MET CG C 13 33.720 . . . . . . A 17 MET CG . 25243 1 196 . 1 1 17 17 MET CE C 13 16.965 . . . . . . A 17 MET CE . 25243 1 197 . 1 1 17 17 MET N N 15 118.091 . . . . . . A 17 MET N . 25243 1 198 . 1 1 18 18 ALA H H 1 7.490 . . . . . . A 18 ALA H . 25243 1 199 . 1 1 18 18 ALA HA H 1 3.588 . . . . . . A 18 ALA HA . 25243 1 200 . 1 1 18 18 ALA HB1 H 1 0.342 . . . . . . A 18 ALA HB1 . 25243 1 201 . 1 1 18 18 ALA HB2 H 1 0.342 . . . . . . A 18 ALA HB2 . 25243 1 202 . 1 1 18 18 ALA HB3 H 1 0.342 . . . . . . A 18 ALA HB3 . 25243 1 203 . 1 1 18 18 ALA C C 13 176.430 . . . . . . A 18 ALA C . 25243 1 204 . 1 1 18 18 ALA CA C 13 55.950 . . . . . . A 18 ALA CA . 25243 1 205 . 1 1 18 18 ALA CB C 13 16.517 . . . . . . A 18 ALA CB . 25243 1 206 . 1 1 18 18 ALA N N 15 119.371 . . . . . . A 18 ALA N . 25243 1 207 . 1 1 19 19 GLU H H 1 7.652 . . . . . . A 19 GLU H . 25243 1 208 . 1 1 19 19 GLU HA H 1 3.754 . . . . . . A 19 GLU HA . 25243 1 209 . 1 1 19 19 GLU HB2 H 1 1.992 . . . . . . A 19 GLU HB2 . 25243 1 210 . 1 1 19 19 GLU HB3 H 1 1.950 . . . . . . A 19 GLU HB3 . 25243 1 211 . 1 1 19 19 GLU HG2 H 1 2.008 . . . . . . A 19 GLU HG2 . 25243 1 212 . 1 1 19 19 GLU HG3 H 1 2.111 . . . . . . A 19 GLU HG3 . 25243 1 213 . 1 1 19 19 GLU C C 13 176.394 . . . . . . A 19 GLU C . 25243 1 214 . 1 1 19 19 GLU CA C 13 59.760 . . . . . . A 19 GLU CA . 25243 1 215 . 1 1 19 19 GLU CB C 13 29.339 . . . . . . A 19 GLU CB . 25243 1 216 . 1 1 19 19 GLU CG C 13 34.985 . . . . . . A 19 GLU CG . 25243 1 217 . 1 1 19 19 GLU N N 15 117.626 . . . . . . A 19 GLU N . 25243 1 218 . 1 1 20 20 GLY H H 1 7.849 . . . . . . A 20 GLY H . 25243 1 219 . 1 1 20 20 GLY HA2 H 1 3.751 . . . . . . A 20 GLY HA2 . 25243 1 220 . 1 1 20 20 GLY HA3 H 1 3.226 . . . . . . A 20 GLY HA3 . 25243 1 221 . 1 1 20 20 GLY C C 13 177.599 . . . . . . A 20 GLY C . 25243 1 222 . 1 1 20 20 GLY CA C 13 48.031 . . . . . . A 20 GLY CA . 25243 1 223 . 1 1 20 20 GLY N N 15 104.838 . . . . . . A 20 GLY N . 25243 1 224 . 1 1 21 21 PHE H H 1 8.355 . . . . . . A 21 PHE H . 25243 1 225 . 1 1 21 21 PHE HA H 1 4.379 . . . . . . A 21 PHE HA . 25243 1 226 . 1 1 21 21 PHE HB2 H 1 3.043 . . . . . . A 21 PHE HB2 . 25243 1 227 . 1 1 21 21 PHE HB3 H 1 2.805 . . . . . . A 21 PHE HB3 . 25243 1 228 . 1 1 21 21 PHE HD1 H 1 7.092 . . . . . . A 21 PHE HD1 . 25243 1 229 . 1 1 21 21 PHE HE1 H 1 7.418 . . . . . . A 21 PHE HE1 . 25243 1 230 . 1 1 21 21 PHE C C 13 175.954 . . . . . . A 21 PHE C . 25243 1 231 . 1 1 21 21 PHE CA C 13 62.453 . . . . . . A 21 PHE CA . 25243 1 232 . 1 1 21 21 PHE CB C 13 39.440 . . . . . . A 21 PHE CB . 25243 1 233 . 1 1 21 21 PHE CD1 C 13 131.414 . . . . . . A 21 PHE CD1 . 25243 1 234 . 1 1 21 21 PHE CE1 C 13 132.000 . . . . . . A 21 PHE CE1 . 25243 1 235 . 1 1 21 21 PHE N N 15 119.315 . . . . . . A 21 PHE N . 25243 1 236 . 1 1 22 22 ALA H H 1 9.191 . . . . . . A 22 ALA H . 25243 1 237 . 1 1 22 22 ALA HA H 1 3.912 . . . . . . A 22 ALA HA . 25243 1 238 . 1 1 22 22 ALA HB1 H 1 1.678 . . . . . . A 22 ALA HB1 . 25243 1 239 . 1 1 22 22 ALA HB2 H 1 1.678 . . . . . . A 22 ALA HB2 . 25243 1 240 . 1 1 22 22 ALA HB3 H 1 1.678 . . . . . . A 22 ALA HB3 . 25243 1 241 . 1 1 22 22 ALA C C 13 172.881 . . . . . . A 22 ALA C . 25243 1 242 . 1 1 22 22 ALA CA C 13 55.880 . . . . . . A 22 ALA CA . 25243 1 243 . 1 1 22 22 ALA CB C 13 19.719 . . . . . . A 22 ALA CB . 25243 1 244 . 1 1 22 22 ALA N N 15 121.931 . . . . . . A 22 ALA N . 25243 1 245 . 1 1 23 23 LYS H H 1 8.703 . . . . . . A 23 LYS H . 25243 1 246 . 1 1 23 23 LYS HA H 1 4.230 . . . . . . A 23 LYS HA . 25243 1 247 . 1 1 23 23 LYS HB2 H 1 1.863 . . . . . . A 23 LYS HB2 . 25243 1 248 . 1 1 23 23 LYS HB3 H 1 2.055 . . . . . . A 23 LYS HB3 . 25243 1 249 . 1 1 23 23 LYS HG2 H 1 1.491 . . . . . . A 23 LYS HG2 . 25243 1 250 . 1 1 23 23 LYS HG3 H 1 1.744 . . . . . . A 23 LYS HG3 . 25243 1 251 . 1 1 23 23 LYS HD2 H 1 1.764 . . . . . . A 23 LYS HD2 . 25243 1 252 . 1 1 23 23 LYS HD3 H 1 1.695 . . . . . . A 23 LYS HD3 . 25243 1 253 . 1 1 23 23 LYS HE2 H 1 2.903 . . . . . . A 23 LYS HE2 . 25243 1 254 . 1 1 23 23 LYS HE3 H 1 2.778 . . . . . . A 23 LYS HE3 . 25243 1 255 . 1 1 23 23 LYS C C 13 175.954 . . . . . . A 23 LYS C . 25243 1 256 . 1 1 23 23 LYS CA C 13 58.890 . . . . . . A 23 LYS CA . 25243 1 257 . 1 1 23 23 LYS CB C 13 31.940 . . . . . . A 23 LYS CB . 25243 1 258 . 1 1 23 23 LYS CG C 13 25.841 . . . . . . A 23 LYS CG . 25243 1 259 . 1 1 23 23 LYS CD C 13 29.640 . . . . . . A 23 LYS CD . 25243 1 260 . 1 1 23 23 LYS CE C 13 42.169 . . . . . . A 23 LYS CE . 25243 1 261 . 1 1 23 23 LYS N N 15 116.659 . . . . . . A 23 LYS N . 25243 1 262 . 1 1 24 24 THR H H 1 7.211 . . . . . . A 24 THR H . 25243 1 263 . 1 1 24 24 THR HA H 1 4.254 . . . . . . A 24 THR HA . 25243 1 264 . 1 1 24 24 THR HB H 1 4.246 . . . . . . A 24 THR HB . 25243 1 265 . 1 1 24 24 THR HG21 H 1 1.353 . . . . . . A 24 THR HG21 . 25243 1 266 . 1 1 24 24 THR HG22 H 1 1.353 . . . . . . A 24 THR HG22 . 25243 1 267 . 1 1 24 24 THR HG23 H 1 1.353 . . . . . . A 24 THR HG23 . 25243 1 268 . 1 1 24 24 THR C C 13 178.520 . . . . . . A 24 THR C . 25243 1 269 . 1 1 24 24 THR CA C 13 65.340 . . . . . . A 24 THR CA . 25243 1 270 . 1 1 24 24 THR CB C 13 69.560 . . . . . . A 24 THR CB . 25243 1 271 . 1 1 24 24 THR CG2 C 13 21.111 . . . . . . A 24 THR CG2 . 25243 1 272 . 1 1 24 24 THR N N 15 113.788 . . . . . . A 24 THR N . 25243 1 273 . 1 1 25 25 LEU H H 1 8.708 . . . . . . A 25 LEU H . 25243 1 274 . 1 1 25 25 LEU HA H 1 4.367 . . . . . . A 25 LEU HA . 25243 1 275 . 1 1 25 25 LEU HB2 H 1 1.645 . . . . . . A 25 LEU HB2 . 25243 1 276 . 1 1 25 25 LEU HB3 H 1 1.601 . . . . . . A 25 LEU HB3 . 25243 1 277 . 1 1 25 25 LEU HG H 1 0.923 . . . . . . A 25 LEU HG . 25243 1 278 . 1 1 25 25 LEU HD11 H 1 1.005 . . . . . . A 25 LEU HD11 . 25243 1 279 . 1 1 25 25 LEU HD12 H 1 1.005 . . . . . . A 25 LEU HD12 . 25243 1 280 . 1 1 25 25 LEU HD13 H 1 1.005 . . . . . . A 25 LEU HD13 . 25243 1 281 . 1 1 25 25 LEU HD21 H 1 0.725 . . . . . . A 25 LEU HD21 . 25243 1 282 . 1 1 25 25 LEU HD22 H 1 0.725 . . . . . . A 25 LEU HD22 . 25243 1 283 . 1 1 25 25 LEU HD23 H 1 0.725 . . . . . . A 25 LEU HD23 . 25243 1 284 . 1 1 25 25 LEU C C 13 175.254 . . . . . . A 25 LEU C . 25243 1 285 . 1 1 25 25 LEU CA C 13 56.690 . . . . . . A 25 LEU CA . 25243 1 286 . 1 1 25 25 LEU CB C 13 42.410 . . . . . . A 25 LEU CB . 25243 1 287 . 1 1 25 25 LEU CG C 13 25.456 . . . . . . A 25 LEU CG . 25243 1 288 . 1 1 25 25 LEU CD1 C 13 22.431 . . . . . . A 25 LEU CD1 . 25243 1 289 . 1 1 25 25 LEU CD2 C 13 25.743 . . . . . . A 25 LEU CD2 . 25243 1 290 . 1 1 25 25 LEU N N 15 120.618 . . . . . . A 25 LEU N . 25243 1 291 . 1 1 26 26 GLY H H 1 7.855 . . . . . . A 26 GLY H . 25243 1 292 . 1 1 26 26 GLY HA2 H 1 4.241 . . . . . . A 26 GLY HA2 . 25243 1 293 . 1 1 26 26 GLY HA3 H 1 3.651 . . . . . . A 26 GLY HA3 . 25243 1 294 . 1 1 26 26 GLY C C 13 180.152 . . . . . . A 26 GLY C . 25243 1 295 . 1 1 26 26 GLY CA C 13 45.185 . . . . . . A 26 GLY CA . 25243 1 296 . 1 1 26 26 GLY N N 15 105.420 . . . . . . A 26 GLY N . 25243 1 297 . 1 1 27 27 ALA H H 1 7.054 . . . . . . A 27 ALA H . 25243 1 298 . 1 1 27 27 ALA HA H 1 4.290 . . . . . . A 27 ALA HA . 25243 1 299 . 1 1 27 27 ALA HB1 H 1 1.549 . . . . . . A 27 ALA HB1 . 25243 1 300 . 1 1 27 27 ALA HB2 H 1 1.549 . . . . . . A 27 ALA HB2 . 25243 1 301 . 1 1 27 27 ALA HB3 H 1 1.549 . . . . . . A 27 ALA HB3 . 25243 1 302 . 1 1 27 27 ALA C C 13 175.129 . . . . . . A 27 ALA C . 25243 1 303 . 1 1 27 27 ALA CA C 13 54.195 . . . . . . A 27 ALA CA . 25243 1 304 . 1 1 27 27 ALA CB C 13 18.009 . . . . . . A 27 ALA CB . 25243 1 305 . 1 1 27 27 ALA N N 15 123.530 . . . . . . A 27 ALA N . 25243 1 306 . 1 1 28 28 GLY H H 1 9.189 . . . . . . A 28 GLY H . 25243 1 307 . 1 1 28 28 GLY HA2 H 1 4.281 . . . . . . A 28 GLY HA2 . 25243 1 308 . 1 1 28 28 GLY HA3 H 1 3.774 . . . . . . A 28 GLY HA3 . 25243 1 309 . 1 1 28 28 GLY C C 13 179.551 . . . . . . A 28 GLY C . 25243 1 310 . 1 1 28 28 GLY CA C 13 45.830 . . . . . . A 28 GLY CA . 25243 1 311 . 1 1 28 28 GLY N N 15 111.626 . . . . . . A 28 GLY N . 25243 1 312 . 1 1 29 29 LYS H H 1 8.386 . . . . . . A 29 LYS H . 25243 1 313 . 1 1 29 29 LYS HA H 1 4.557 . . . . . . A 29 LYS HA . 25243 1 314 . 1 1 29 29 LYS HB2 H 1 1.761 . . . . . . A 29 LYS HB2 . 25243 1 315 . 1 1 29 29 LYS HB3 H 1 1.952 . . . . . . A 29 LYS HB3 . 25243 1 316 . 1 1 29 29 LYS HG2 H 1 1.461 . . . . . . A 29 LYS HG2 . 25243 1 317 . 1 1 29 29 LYS HG3 H 1 1.412 . . . . . . A 29 LYS HG3 . 25243 1 318 . 1 1 29 29 LYS HD2 H 1 1.729 . . . . . . A 29 LYS HD2 . 25243 1 319 . 1 1 29 29 LYS HD3 H 1 1.638 . . . . . . A 29 LYS HD3 . 25243 1 320 . 1 1 29 29 LYS HE2 H 1 3.037 . . . . . . A 29 LYS HE2 . 25243 1 321 . 1 1 29 29 LYS C C 13 177.664 . . . . . . A 29 LYS C . 25243 1 322 . 1 1 29 29 LYS CA C 13 57.320 . . . . . . A 29 LYS CA . 25243 1 323 . 1 1 29 29 LYS CB C 13 35.140 . . . . . . A 29 LYS CB . 25243 1 324 . 1 1 29 29 LYS CG C 13 25.132 . . . . . . A 29 LYS CG . 25243 1 325 . 1 1 29 29 LYS CD C 13 29.443 . . . . . . A 29 LYS CD . 25243 1 326 . 1 1 29 29 LYS CE C 13 42.266 . . . . . . A 29 LYS CE . 25243 1 327 . 1 1 29 29 LYS N N 15 118.287 . . . . . . A 29 LYS N . 25243 1 328 . 1 1 30 30 ILE H H 1 7.666 . . . . . . A 30 ILE H . 25243 1 329 . 1 1 30 30 ILE HA H 1 5.089 . . . . . . A 30 ILE HA . 25243 1 330 . 1 1 30 30 ILE HB H 1 1.774 . . . . . . A 30 ILE HB . 25243 1 331 . 1 1 30 30 ILE HG12 H 1 1.094 . . . . . . A 30 ILE HG12 . 25243 1 332 . 1 1 30 30 ILE HG13 H 1 1.356 . . . . . . A 30 ILE HG13 . 25243 1 333 . 1 1 30 30 ILE HG21 H 1 0.861 . . . . . . A 30 ILE HG21 . 25243 1 334 . 1 1 30 30 ILE HG22 H 1 0.861 . . . . . . A 30 ILE HG22 . 25243 1 335 . 1 1 30 30 ILE HG23 H 1 0.861 . . . . . . A 30 ILE HG23 . 25243 1 336 . 1 1 30 30 ILE HD11 H 1 0.777 . . . . . . A 30 ILE HD11 . 25243 1 337 . 1 1 30 30 ILE HD12 H 1 0.777 . . . . . . A 30 ILE HD12 . 25243 1 338 . 1 1 30 30 ILE HD13 H 1 0.777 . . . . . . A 30 ILE HD13 . 25243 1 339 . 1 1 30 30 ILE C C 13 180.099 . . . . . . A 30 ILE C . 25243 1 340 . 1 1 30 30 ILE CA C 13 58.970 . . . . . . A 30 ILE CA . 25243 1 341 . 1 1 30 30 ILE CB C 13 42.540 . . . . . . A 30 ILE CB . 25243 1 342 . 1 1 30 30 ILE CG1 C 13 25.382 . . . . . . A 30 ILE CG1 . 25243 1 343 . 1 1 30 30 ILE CG2 C 13 18.941 . . . . . . A 30 ILE CG2 . 25243 1 344 . 1 1 30 30 ILE CD1 C 13 13.879 . . . . . . A 30 ILE CD1 . 25243 1 345 . 1 1 30 30 ILE N N 15 111.060 . . . . . . A 30 ILE N . 25243 1 346 . 1 1 31 31 ALA H H 1 8.745 . . . . . . A 31 ALA H . 25243 1 347 . 1 1 31 31 ALA HA H 1 4.929 . . . . . . A 31 ALA HA . 25243 1 348 . 1 1 31 31 ALA HB1 H 1 1.403 . . . . . . A 31 ALA HB1 . 25243 1 349 . 1 1 31 31 ALA HB2 H 1 1.403 . . . . . . A 31 ALA HB2 . 25243 1 350 . 1 1 31 31 ALA HB3 H 1 1.403 . . . . . . A 31 ALA HB3 . 25243 1 351 . 1 1 31 31 ALA C C 13 176.632 . . . . . . A 31 ALA C . 25243 1 352 . 1 1 31 31 ALA CA C 13 50.819 . . . . . . A 31 ALA CA . 25243 1 353 . 1 1 31 31 ALA CB C 13 20.819 . . . . . . A 31 ALA CB . 25243 1 354 . 1 1 31 31 ALA N N 15 126.864 . . . . . . A 31 ALA N . 25243 1 355 . 1 1 32 32 VAL H H 1 8.936 . . . . . . A 32 VAL H . 25243 1 356 . 1 1 32 32 VAL HA H 1 5.241 . . . . . . A 32 VAL HA . 25243 1 357 . 1 1 32 32 VAL HB H 1 1.999 . . . . . . A 32 VAL HB . 25243 1 358 . 1 1 32 32 VAL HG11 H 1 1.108 . . . . . . A 32 VAL HG11 . 25243 1 359 . 1 1 32 32 VAL HG12 H 1 1.108 . . . . . . A 32 VAL HG12 . 25243 1 360 . 1 1 32 32 VAL HG13 H 1 1.108 . . . . . . A 32 VAL HG13 . 25243 1 361 . 1 1 32 32 VAL HG21 H 1 0.960 . . . . . . A 32 VAL HG21 . 25243 1 362 . 1 1 32 32 VAL HG22 H 1 0.960 . . . . . . A 32 VAL HG22 . 25243 1 363 . 1 1 32 32 VAL HG23 H 1 0.960 . . . . . . A 32 VAL HG23 . 25243 1 364 . 1 1 32 32 VAL C C 13 179.441 . . . . . . A 32 VAL C . 25243 1 365 . 1 1 32 32 VAL CA C 13 61.153 . . . . . . A 32 VAL CA . 25243 1 366 . 1 1 32 32 VAL CB C 13 35.142 . . . . . . A 32 VAL CB . 25243 1 367 . 1 1 32 32 VAL CG1 C 13 22.650 . . . . . . A 32 VAL CG1 . 25243 1 368 . 1 1 32 32 VAL CG2 C 13 22.135 . . . . . . A 32 VAL CG2 . 25243 1 369 . 1 1 32 32 VAL N N 15 122.032 . . . . . . A 32 VAL N . 25243 1 370 . 1 1 33 33 THR H H 1 8.851 . . . . . . A 33 THR H . 25243 1 371 . 1 1 33 33 THR HA H 1 4.435 . . . . . . A 33 THR HA . 25243 1 372 . 1 1 33 33 THR HB H 1 3.632 . . . . . . A 33 THR HB . 25243 1 373 . 1 1 33 33 THR HG21 H 1 0.902 . . . . . . A 33 THR HG21 . 25243 1 374 . 1 1 33 33 THR HG22 H 1 0.902 . . . . . . A 33 THR HG22 . 25243 1 375 . 1 1 33 33 THR HG23 H 1 0.902 . . . . . . A 33 THR HG23 . 25243 1 376 . 1 1 33 33 THR C C 13 182.772 . . . . . . A 33 THR C . 25243 1 377 . 1 1 33 33 THR CA C 13 61.296 . . . . . . A 33 THR CA . 25243 1 378 . 1 1 33 33 THR CB C 13 71.793 . . . . . . A 33 THR CB . 25243 1 379 . 1 1 33 33 THR CG2 C 13 22.382 . . . . . . A 33 THR CG2 . 25243 1 380 . 1 1 33 33 THR N N 15 123.122 . . . . . . A 33 THR N . 25243 1 381 . 1 1 34 34 SER H H 1 8.464 . . . . . . A 34 SER H . 25243 1 382 . 1 1 34 34 SER HA H 1 5.630 . . . . . . A 34 SER HA . 25243 1 383 . 1 1 34 34 SER HB2 H 1 3.869 . . . . . . A 34 SER HB2 . 25243 1 384 . 1 1 34 34 SER HB3 H 1 3.600 . . . . . . A 34 SER HB3 . 25243 1 385 . 1 1 34 34 SER C C 13 181.295 . . . . . . A 34 SER C . 25243 1 386 . 1 1 34 34 SER CA C 13 57.210 . . . . . . A 34 SER CA . 25243 1 387 . 1 1 34 34 SER CB C 13 66.978 . . . . . . A 34 SER CB . 25243 1 388 . 1 1 34 34 SER N N 15 118.105 . . . . . . A 34 SER N . 25243 1 389 . 1 1 35 35 SER H H 1 8.984 . . . . . . A 35 SER H . 25243 1 390 . 1 1 35 35 SER HA H 1 4.928 . . . . . . A 35 SER HA . 25243 1 391 . 1 1 35 35 SER HB2 H 1 3.307 . . . . . . A 35 SER HB2 . 25243 1 392 . 1 1 35 35 SER HB3 H 1 3.218 . . . . . . A 35 SER HB3 . 25243 1 393 . 1 1 35 35 SER C C 13 180.199 . . . . . . A 35 SER C . 25243 1 394 . 1 1 35 35 SER CA C 13 58.080 . . . . . . A 35 SER CA . 25243 1 395 . 1 1 35 35 SER CB C 13 66.089 . . . . . . A 35 SER CB . 25243 1 396 . 1 1 35 35 SER N N 15 114.446 . . . . . . A 35 SER N . 25243 1 397 . 1 1 36 36 GLY H H 1 8.630 . . . . . . A 36 GLY H . 25243 1 398 . 1 1 36 36 GLY HA2 H 1 5.102 . . . . . . A 36 GLY HA2 . 25243 1 399 . 1 1 36 36 GLY HA3 H 1 3.286 . . . . . . A 36 GLY HA3 . 25243 1 400 . 1 1 36 36 GLY C C 13 180.384 . . . . . . A 36 GLY C . 25243 1 401 . 1 1 36 36 GLY CA C 13 43.514 . . . . . . A 36 GLY CA . 25243 1 402 . 1 1 36 36 GLY N N 15 104.367 . . . . . . A 36 GLY N . 25243 1 403 . 1 1 37 37 LEU H H 1 7.654 . . . . . . A 37 LEU H . 25243 1 404 . 1 1 37 37 LEU HA H 1 4.057 . . . . . . A 37 LEU HA . 25243 1 405 . 1 1 37 37 LEU HB2 H 1 2.039 . . . . . . A 37 LEU HB2 . 25243 1 406 . 1 1 37 37 LEU HB3 H 1 1.695 . . . . . . A 37 LEU HB3 . 25243 1 407 . 1 1 37 37 LEU HG H 1 1.766 . . . . . . A 37 LEU HG . 25243 1 408 . 1 1 37 37 LEU HD11 H 1 0.772 . . . . . . A 37 LEU HD11 . 25243 1 409 . 1 1 37 37 LEU HD12 H 1 0.772 . . . . . . A 37 LEU HD12 . 25243 1 410 . 1 1 37 37 LEU HD13 H 1 0.772 . . . . . . A 37 LEU HD13 . 25243 1 411 . 1 1 37 37 LEU HD21 H 1 0.946 . . . . . . A 37 LEU HD21 . 25243 1 412 . 1 1 37 37 LEU HD22 H 1 0.946 . . . . . . A 37 LEU HD22 . 25243 1 413 . 1 1 37 37 LEU HD23 H 1 0.946 . . . . . . A 37 LEU HD23 . 25243 1 414 . 1 1 37 37 LEU C C 13 175.240 . . . . . . A 37 LEU C . 25243 1 415 . 1 1 37 37 LEU CA C 13 58.134 . . . . . . A 37 LEU CA . 25243 1 416 . 1 1 37 37 LEU CB C 13 40.786 . . . . . . A 37 LEU CB . 25243 1 417 . 1 1 37 37 LEU CG C 13 27.598 . . . . . . A 37 LEU CG . 25243 1 418 . 1 1 37 37 LEU CD1 C 13 22.532 . . . . . . A 37 LEU CD1 . 25243 1 419 . 1 1 37 37 LEU CD2 C 13 25.940 . . . . . . A 37 LEU CD2 . 25243 1 420 . 1 1 37 37 LEU N N 15 121.251 . . . . . . A 37 LEU N . 25243 1 421 . 1 1 38 38 GLU H H 1 8.288 . . . . . . A 38 GLU H . 25243 1 422 . 1 1 38 38 GLU HA H 1 4.499 . . . . . . A 38 GLU HA . 25243 1 423 . 1 1 38 38 GLU HB2 H 1 2.077 . . . . . . A 38 GLU HB2 . 25243 1 424 . 1 1 38 38 GLU HB3 H 1 1.938 . . . . . . A 38 GLU HB3 . 25243 1 425 . 1 1 38 38 GLU HG2 H 1 2.319 . . . . . . A 38 GLU HG2 . 25243 1 426 . 1 1 38 38 GLU HG3 H 1 2.062 . . . . . . A 38 GLU HG3 . 25243 1 427 . 1 1 38 38 GLU C C 13 180.152 . . . . . . A 38 GLU C . 25243 1 428 . 1 1 38 38 GLU CA C 13 54.230 . . . . . . A 38 GLU CA . 25243 1 429 . 1 1 38 38 GLU CB C 13 33.205 . . . . . . A 38 GLU CB . 25243 1 430 . 1 1 38 38 GLU CG C 13 36.030 . . . . . . A 38 GLU CG . 25243 1 431 . 1 1 38 38 GLU N N 15 116.110 . . . . . . A 38 GLU N . 25243 1 432 . 1 1 39 39 SER H H 1 8.292 . . . . . . A 39 SER H . 25243 1 433 . 1 1 39 39 SER HA H 1 4.277 . . . . . . A 39 SER HA . 25243 1 434 . 1 1 39 39 SER HB2 H 1 3.715 . . . . . . A 39 SER HB2 . 25243 1 435 . 1 1 39 39 SER HB3 H 1 3.234 . . . . . . A 39 SER HB3 . 25243 1 436 . 1 1 39 39 SER C C 13 179.124 . . . . . . A 39 SER C . 25243 1 437 . 1 1 39 39 SER CA C 13 57.287 . . . . . . A 39 SER CA . 25243 1 438 . 1 1 39 39 SER CB C 13 65.570 . . . . . . A 39 SER CB . 25243 1 439 . 1 1 39 39 SER N N 15 111.734 . . . . . . A 39 SER N . 25243 1 440 . 1 1 40 40 SER H H 1 8.633 . . . . . . A 40 SER H . 25243 1 441 . 1 1 40 40 SER HA H 1 4.383 . . . . . . A 40 SER HA . 25243 1 442 . 1 1 40 40 SER HB2 H 1 3.938 . . . . . . A 40 SER HB2 . 25243 1 443 . 1 1 40 40 SER HB3 H 1 3.889 . . . . . . A 40 SER HB3 . 25243 1 444 . 1 1 40 40 SER C C 13 180.356 . . . . . . A 40 SER C . 25243 1 445 . 1 1 40 40 SER CA C 13 57.594 . . . . . . A 40 SER CA . 25243 1 446 . 1 1 40 40 SER CB C 13 63.202 . . . . . . A 40 SER CB . 25243 1 447 . 1 1 40 40 SER N N 15 114.334 . . . . . . A 40 SER N . 25243 1 448 . 1 1 41 41 ARG H H 1 9.086 . . . . . . A 41 ARG H . 25243 1 449 . 1 1 41 41 ARG HA H 1 4.671 . . . . . . A 41 ARG HA . 25243 1 450 . 1 1 41 41 ARG HB2 H 1 1.754 . . . . . . A 41 ARG HB2 . 25243 1 451 . 1 1 41 41 ARG HB3 H 1 1.982 . . . . . . A 41 ARG HB3 . 25243 1 452 . 1 1 41 41 ARG HG2 H 1 1.606 . . . . . . A 41 ARG HG2 . 25243 1 453 . 1 1 41 41 ARG HG3 H 1 1.318 . . . . . . A 41 ARG HG3 . 25243 1 454 . 1 1 41 41 ARG HD2 H 1 3.089 . . . . . . A 41 ARG HD2 . 25243 1 455 . 1 1 41 41 ARG HD3 H 1 3.089 . . . . . . A 41 ARG HD3 . 25243 1 456 . 1 1 41 41 ARG C C 13 178.892 . . . . . . A 41 ARG C . 25243 1 457 . 1 1 41 41 ARG CA C 13 54.339 . . . . . . A 41 ARG CA . 25243 1 458 . 1 1 41 41 ARG CB C 13 32.130 . . . . . . A 41 ARG CB . 25243 1 459 . 1 1 41 41 ARG CG C 13 25.250 . . . . . . A 41 ARG CG . 25243 1 460 . 1 1 41 41 ARG CD C 13 43.500 . . . . . . A 41 ARG CD . 25243 1 461 . 1 1 41 41 ARG N N 15 122.880 . . . . . . A 41 ARG N . 25243 1 462 . 1 1 42 42 VAL H H 1 8.885 . . . . . . A 42 VAL H . 25243 1 463 . 1 1 42 42 VAL HA H 1 3.767 . . . . . . A 42 VAL HA . 25243 1 464 . 1 1 42 42 VAL HB H 1 1.898 . . . . . . A 42 VAL HB . 25243 1 465 . 1 1 42 42 VAL HG11 H 1 0.760 . . . . . . A 42 VAL HG11 . 25243 1 466 . 1 1 42 42 VAL HG12 H 1 0.760 . . . . . . A 42 VAL HG12 . 25243 1 467 . 1 1 42 42 VAL HG13 H 1 0.760 . . . . . . A 42 VAL HG13 . 25243 1 468 . 1 1 42 42 VAL HG21 H 1 0.760 . . . . . . A 42 VAL HG21 . 25243 1 469 . 1 1 42 42 VAL HG22 H 1 0.760 . . . . . . A 42 VAL HG22 . 25243 1 470 . 1 1 42 42 VAL HG23 H 1 0.760 . . . . . . A 42 VAL HG23 . 25243 1 471 . 1 1 42 42 VAL C C 13 178.399 . . . . . . A 42 VAL C . 25243 1 472 . 1 1 42 42 VAL CA C 13 64.787 . . . . . . A 42 VAL CA . 25243 1 473 . 1 1 42 42 VAL CB C 13 31.030 . . . . . . A 42 VAL CB . 25243 1 474 . 1 1 42 42 VAL CG1 C 13 21.865 . . . . . . A 42 VAL CG1 . 25243 1 475 . 1 1 42 42 VAL CG2 C 13 21.865 . . . . . . A 42 VAL CG2 . 25243 1 476 . 1 1 42 42 VAL N N 15 123.212 . . . . . . A 42 VAL N . 25243 1 477 . 1 1 43 43 HIS H H 1 9.054 . . . . . . A 43 HIS H . 25243 1 478 . 1 1 43 43 HIS HA H 1 4.277 . . . . . . A 43 HIS HA . 25243 1 479 . 1 1 43 43 HIS HB2 H 1 3.295 . . . . . . A 43 HIS HB2 . 25243 1 480 . 1 1 43 43 HIS HB3 H 1 3.046 . . . . . . A 43 HIS HB3 . 25243 1 481 . 1 1 43 43 HIS HD2 H 1 7.259 . . . . . . A 43 HIS HD2 . 25243 1 482 . 1 1 43 43 HIS HE1 H 1 6.424 . . . . . . A 43 HIS HE1 . 25243 1 483 . 1 1 43 43 HIS CA C 13 56.993 . . . . . . A 43 HIS CA . 25243 1 484 . 1 1 43 43 HIS CB C 13 32.690 . . . . . . A 43 HIS CB . 25243 1 485 . 1 1 43 43 HIS CD2 C 13 117.803 . . . . . . A 43 HIS CD2 . 25243 1 486 . 1 1 43 43 HIS CE1 C 13 129.586 . . . . . . A 43 HIS CE1 . 25243 1 487 . 1 1 43 43 HIS N N 15 133.201 . . . . . . A 43 HIS N . 25243 1 488 . 1 1 44 44 PRO HA H 1 4.202 . . . . . . A 44 PRO HA . 25243 1 489 . 1 1 44 44 PRO HB2 H 1 2.360 . . . . . . A 44 PRO HB2 . 25243 1 490 . 1 1 44 44 PRO HB3 H 1 1.985 . . . . . . A 44 PRO HB3 . 25243 1 491 . 1 1 44 44 PRO HG2 H 1 1.970 . . . . . . A 44 PRO HG2 . 25243 1 492 . 1 1 44 44 PRO HG3 H 1 1.929 . . . . . . A 44 PRO HG3 . 25243 1 493 . 1 1 44 44 PRO HD2 H 1 3.690 . . . . . . A 44 PRO HD2 . 25243 1 494 . 1 1 44 44 PRO HD3 H 1 2.938 . . . . . . A 44 PRO HD3 . 25243 1 495 . 1 1 44 44 PRO C C 13 173.454 . . . . . . A 44 PRO C . 25243 1 496 . 1 1 44 44 PRO CA C 13 65.450 . . . . . . A 44 PRO CA . 25243 1 497 . 1 1 44 44 PRO CB C 13 32.190 . . . . . . A 44 PRO CB . 25243 1 498 . 1 1 44 44 PRO CG C 13 27.570 . . . . . . A 44 PRO CG . 25243 1 499 . 1 1 44 44 PRO CD C 13 50.742 . . . . . . A 44 PRO CD . 25243 1 500 . 1 1 45 45 THR H H 1 11.804 . . . . . . A 45 THR H . 25243 1 501 . 1 1 45 45 THR HA H 1 3.934 . . . . . . A 45 THR HA . 25243 1 502 . 1 1 45 45 THR HB H 1 3.242 . . . . . . A 45 THR HB . 25243 1 503 . 1 1 45 45 THR HG21 H 1 0.281 . . . . . . A 45 THR HG21 . 25243 1 504 . 1 1 45 45 THR HG22 H 1 0.281 . . . . . . A 45 THR HG22 . 25243 1 505 . 1 1 45 45 THR HG23 H 1 0.281 . . . . . . A 45 THR HG23 . 25243 1 506 . 1 1 45 45 THR C C 13 176.997 . . . . . . A 45 THR C . 25243 1 507 . 1 1 45 45 THR CA C 13 65.743 . . . . . . A 45 THR CA . 25243 1 508 . 1 1 45 45 THR CB C 13 67.243 . . . . . . A 45 THR CB . 25243 1 509 . 1 1 45 45 THR CG2 C 13 23.396 . . . . . . A 45 THR CG2 . 25243 1 510 . 1 1 45 45 THR N N 15 121.717 . . . . . . A 45 THR N . 25243 1 511 . 1 1 46 46 ALA H H 1 7.371 . . . . . . A 46 ALA H . 25243 1 512 . 1 1 46 46 ALA HA H 1 3.903 . . . . . . A 46 ALA HA . 25243 1 513 . 1 1 46 46 ALA HB1 H 1 1.760 . . . . . . A 46 ALA HB1 . 25243 1 514 . 1 1 46 46 ALA HB2 H 1 1.760 . . . . . . A 46 ALA HB2 . 25243 1 515 . 1 1 46 46 ALA HB3 H 1 1.760 . . . . . . A 46 ALA HB3 . 25243 1 516 . 1 1 46 46 ALA C C 13 174.435 . . . . . . A 46 ALA C . 25243 1 517 . 1 1 46 46 ALA CA C 13 56.180 . . . . . . A 46 ALA CA . 25243 1 518 . 1 1 46 46 ALA CB C 13 17.603 . . . . . . A 46 ALA CB . 25243 1 519 . 1 1 46 46 ALA N N 15 124.865 . . . . . . A 46 ALA N . 25243 1 520 . 1 1 47 47 ILE H H 1 7.968 . . . . . . A 47 ILE H . 25243 1 521 . 1 1 47 47 ILE HA H 1 3.372 . . . . . . A 47 ILE HA . 25243 1 522 . 1 1 47 47 ILE HB H 1 1.950 . . . . . . A 47 ILE HB . 25243 1 523 . 1 1 47 47 ILE HG12 H 1 1.758 . . . . . . A 47 ILE HG12 . 25243 1 524 . 1 1 47 47 ILE HG13 H 1 0.465 . . . . . . A 47 ILE HG13 . 25243 1 525 . 1 1 47 47 ILE HG21 H 1 0.895 . . . . . . A 47 ILE HG21 . 25243 1 526 . 1 1 47 47 ILE HG22 H 1 0.895 . . . . . . A 47 ILE HG22 . 25243 1 527 . 1 1 47 47 ILE HG23 H 1 0.895 . . . . . . A 47 ILE HG23 . 25243 1 528 . 1 1 47 47 ILE HD11 H 1 0.784 . . . . . . A 47 ILE HD11 . 25243 1 529 . 1 1 47 47 ILE HD12 H 1 0.784 . . . . . . A 47 ILE HD12 . 25243 1 530 . 1 1 47 47 ILE HD13 H 1 0.784 . . . . . . A 47 ILE HD13 . 25243 1 531 . 1 1 47 47 ILE C C 13 174.206 . . . . . . A 47 ILE C . 25243 1 532 . 1 1 47 47 ILE CA C 13 65.600 . . . . . . A 47 ILE CA . 25243 1 533 . 1 1 47 47 ILE CB C 13 37.998 . . . . . . A 47 ILE CB . 25243 1 534 . 1 1 47 47 ILE CG1 C 13 29.859 . . . . . . A 47 ILE CG1 . 25243 1 535 . 1 1 47 47 ILE CG2 C 13 17.263 . . . . . . A 47 ILE CG2 . 25243 1 536 . 1 1 47 47 ILE CD1 C 13 13.446 . . . . . . A 47 ILE CD1 . 25243 1 537 . 1 1 47 47 ILE N N 15 117.506 . . . . . . A 47 ILE N . 25243 1 538 . 1 1 48 48 ALA H H 1 7.780 . . . . . . A 48 ALA H . 25243 1 539 . 1 1 48 48 ALA HA H 1 4.260 . . . . . . A 48 ALA HA . 25243 1 540 . 1 1 48 48 ALA HB1 H 1 1.476 . . . . . . A 48 ALA HB1 . 25243 1 541 . 1 1 48 48 ALA HB2 H 1 1.476 . . . . . . A 48 ALA HB2 . 25243 1 542 . 1 1 48 48 ALA HB3 H 1 1.476 . . . . . . A 48 ALA HB3 . 25243 1 543 . 1 1 48 48 ALA C C 13 174.255 . . . . . . A 48 ALA C . 25243 1 544 . 1 1 48 48 ALA CA C 13 55.250 . . . . . . A 48 ALA CA . 25243 1 545 . 1 1 48 48 ALA CB C 13 17.990 . . . . . . A 48 ALA CB . 25243 1 546 . 1 1 48 48 ALA N N 15 123.588 . . . . . . A 48 ALA N . 25243 1 547 . 1 1 49 49 MET H H 1 8.709 . . . . . . A 49 MET H . 25243 1 548 . 1 1 49 49 MET HA H 1 4.525 . . . . . . A 49 MET HA . 25243 1 549 . 1 1 49 49 MET HB2 H 1 2.321 . . . . . . A 49 MET HB2 . 25243 1 550 . 1 1 49 49 MET HB3 H 1 1.685 . . . . . . A 49 MET HB3 . 25243 1 551 . 1 1 49 49 MET HG2 H 1 2.524 . . . . . . A 49 MET HG2 . 25243 1 552 . 1 1 49 49 MET HE1 H 1 1.962 . . . . . . A 49 MET HE1 . 25243 1 553 . 1 1 49 49 MET HE2 H 1 1.962 . . . . . . A 49 MET HE2 . 25243 1 554 . 1 1 49 49 MET HE3 H 1 1.962 . . . . . . A 49 MET HE3 . 25243 1 555 . 1 1 49 49 MET C C 13 173.931 . . . . . . A 49 MET C . 25243 1 556 . 1 1 49 49 MET CA C 13 56.398 . . . . . . A 49 MET CA . 25243 1 557 . 1 1 49 49 MET CB C 13 34.742 . . . . . . A 49 MET CB . 25243 1 558 . 1 1 49 49 MET CG C 13 33.980 . . . . . . A 49 MET CG . 25243 1 559 . 1 1 49 49 MET CE C 13 21.340 . . . . . . A 49 MET CE . 25243 1 560 . 1 1 49 49 MET N N 15 116.656 . . . . . . A 49 MET N . 25243 1 561 . 1 1 50 50 MET H H 1 7.953 . . . . . . A 50 MET H . 25243 1 562 . 1 1 50 50 MET HA H 1 4.814 . . . . . . A 50 MET HA . 25243 1 563 . 1 1 50 50 MET HB2 H 1 2.090 . . . . . . A 50 MET HB2 . 25243 1 564 . 1 1 50 50 MET HB3 H 1 1.896 . . . . . . A 50 MET HB3 . 25243 1 565 . 1 1 50 50 MET HG2 H 1 2.634 . . . . . . A 50 MET HG2 . 25243 1 566 . 1 1 50 50 MET HG3 H 1 2.211 . . . . . . A 50 MET HG3 . 25243 1 567 . 1 1 50 50 MET HE1 H 1 0.729 . . . . . . A 50 MET HE1 . 25243 1 568 . 1 1 50 50 MET HE2 H 1 0.729 . . . . . . A 50 MET HE2 . 25243 1 569 . 1 1 50 50 MET HE3 H 1 0.729 . . . . . . A 50 MET HE3 . 25243 1 570 . 1 1 50 50 MET C C 13 174.676 . . . . . . A 50 MET C . 25243 1 571 . 1 1 50 50 MET CA C 13 55.030 . . . . . . A 50 MET CA . 25243 1 572 . 1 1 50 50 MET CB C 13 28.990 . . . . . . A 50 MET CB . 25243 1 573 . 1 1 50 50 MET CG C 13 33.591 . . . . . . A 50 MET CG . 25243 1 574 . 1 1 50 50 MET CE C 13 15.548 . . . . . . A 50 MET CE . 25243 1 575 . 1 1 50 50 MET N N 15 118.900 . . . . . . A 50 MET N . 25243 1 576 . 1 1 51 51 GLU H H 1 8.287 . . . . . . A 51 GLU H . 25243 1 577 . 1 1 51 51 GLU HA H 1 3.918 . . . . . . A 51 GLU HA . 25243 1 578 . 1 1 51 51 GLU HB2 H 1 2.196 . . . . . . A 51 GLU HB2 . 25243 1 579 . 1 1 51 51 GLU HB3 H 1 2.150 . . . . . . A 51 GLU HB3 . 25243 1 580 . 1 1 51 51 GLU HG2 H 1 2.380 . . . . . . A 51 GLU HG2 . 25243 1 581 . 1 1 51 51 GLU HG3 H 1 2.204 . . . . . . A 51 GLU HG3 . 25243 1 582 . 1 1 51 51 GLU C C 13 173.031 . . . . . . A 51 GLU C . 25243 1 583 . 1 1 51 51 GLU CA C 13 59.853 . . . . . . A 51 GLU CA . 25243 1 584 . 1 1 51 51 GLU CB C 13 29.192 . . . . . . A 51 GLU CB . 25243 1 585 . 1 1 51 51 GLU CG C 13 36.224 . . . . . . A 51 GLU CG . 25243 1 586 . 1 1 51 51 GLU N N 15 124.760 . . . . . . A 51 GLU N . 25243 1 587 . 1 1 52 52 GLU H H 1 7.533 . . . . . . A 52 GLU H . 25243 1 588 . 1 1 52 52 GLU HA H 1 4.156 . . . . . . A 52 GLU HA . 25243 1 589 . 1 1 52 52 GLU HB2 H 1 2.248 . . . . . . A 52 GLU HB2 . 25243 1 590 . 1 1 52 52 GLU HB3 H 1 2.149 . . . . . . A 52 GLU HB3 . 25243 1 591 . 1 1 52 52 GLU HG2 H 1 2.663 . . . . . . A 52 GLU HG2 . 25243 1 592 . 1 1 52 52 GLU HG3 H 1 2.359 . . . . . . A 52 GLU HG3 . 25243 1 593 . 1 1 52 52 GLU C C 13 175.655 . . . . . . A 52 GLU C . 25243 1 594 . 1 1 52 52 GLU CA C 13 59.247 . . . . . . A 52 GLU CA . 25243 1 595 . 1 1 52 52 GLU CB C 13 30.345 . . . . . . A 52 GLU CB . 25243 1 596 . 1 1 52 52 GLU CG C 13 37.009 . . . . . . A 52 GLU CG . 25243 1 597 . 1 1 52 52 GLU N N 15 117.033 . . . . . . A 52 GLU N . 25243 1 598 . 1 1 53 53 VAL H H 1 7.224 . . . . . . A 53 VAL H . 25243 1 599 . 1 1 53 53 VAL HA H 1 4.749 . . . . . . A 53 VAL HA . 25243 1 600 . 1 1 53 53 VAL HB H 1 2.772 . . . . . . A 53 VAL HB . 25243 1 601 . 1 1 53 53 VAL HG11 H 1 0.991 . . . . . . A 53 VAL HG11 . 25243 1 602 . 1 1 53 53 VAL HG12 H 1 0.991 . . . . . . A 53 VAL HG12 . 25243 1 603 . 1 1 53 53 VAL HG13 H 1 0.991 . . . . . . A 53 VAL HG13 . 25243 1 604 . 1 1 53 53 VAL HG21 H 1 1.103 . . . . . . A 53 VAL HG21 . 25243 1 605 . 1 1 53 53 VAL HG22 H 1 1.103 . . . . . . A 53 VAL HG22 . 25243 1 606 . 1 1 53 53 VAL HG23 H 1 1.103 . . . . . . A 53 VAL HG23 . 25243 1 607 . 1 1 53 53 VAL C C 13 177.923 . . . . . . A 53 VAL C . 25243 1 608 . 1 1 53 53 VAL CA C 13 59.490 . . . . . . A 53 VAL CA . 25243 1 609 . 1 1 53 53 VAL CB C 13 30.495 . . . . . . A 53 VAL CB . 25243 1 610 . 1 1 53 53 VAL CG1 C 13 21.197 . . . . . . A 53 VAL CG1 . 25243 1 611 . 1 1 53 53 VAL CG2 C 13 19.802 . . . . . . A 53 VAL CG2 . 25243 1 612 . 1 1 53 53 VAL N N 15 107.808 . . . . . . A 53 VAL N . 25243 1 613 . 1 1 54 54 GLY H H 1 7.819 . . . . . . A 54 GLY H . 25243 1 614 . 1 1 54 54 GLY HA2 H 1 4.088 . . . . . . A 54 GLY HA2 . 25243 1 615 . 1 1 54 54 GLY HA3 H 1 3.853 . . . . . . A 54 GLY HA3 . 25243 1 616 . 1 1 54 54 GLY C C 13 179.277 . . . . . . A 54 GLY C . 25243 1 617 . 1 1 54 54 GLY CA C 13 46.280 . . . . . . A 54 GLY CA . 25243 1 618 . 1 1 54 54 GLY N N 15 108.583 . . . . . . A 54 GLY N . 25243 1 619 . 1 1 55 55 ILE H H 1 7.897 . . . . . . A 55 ILE H . 25243 1 620 . 1 1 55 55 ILE HA H 1 4.134 . . . . . . A 55 ILE HA . 25243 1 621 . 1 1 55 55 ILE HB H 1 1.097 . . . . . . A 55 ILE HB . 25243 1 622 . 1 1 55 55 ILE HG12 H 1 1.438 . . . . . . A 55 ILE HG12 . 25243 1 623 . 1 1 55 55 ILE HG13 H 1 0.897 . . . . . . A 55 ILE HG13 . 25243 1 624 . 1 1 55 55 ILE HG21 H 1 0.396 . . . . . . A 55 ILE HG21 . 25243 1 625 . 1 1 55 55 ILE HG22 H 1 0.396 . . . . . . A 55 ILE HG22 . 25243 1 626 . 1 1 55 55 ILE HG23 H 1 0.396 . . . . . . A 55 ILE HG23 . 25243 1 627 . 1 1 55 55 ILE HD11 H 1 0.570 . . . . . . A 55 ILE HD11 . 25243 1 628 . 1 1 55 55 ILE HD12 H 1 0.570 . . . . . . A 55 ILE HD12 . 25243 1 629 . 1 1 55 55 ILE HD13 H 1 0.570 . . . . . . A 55 ILE HD13 . 25243 1 630 . 1 1 55 55 ILE C C 13 180.116 . . . . . . A 55 ILE C . 25243 1 631 . 1 1 55 55 ILE CA C 13 60.640 . . . . . . A 55 ILE CA . 25243 1 632 . 1 1 55 55 ILE CB C 13 41.120 . . . . . . A 55 ILE CB . 25243 1 633 . 1 1 55 55 ILE CG1 C 13 27.289 . . . . . . A 55 ILE CG1 . 25243 1 634 . 1 1 55 55 ILE CG2 C 13 16.554 . . . . . . A 55 ILE CG2 . 25243 1 635 . 1 1 55 55 ILE CD1 C 13 14.750 . . . . . . A 55 ILE CD1 . 25243 1 636 . 1 1 55 55 ILE N N 15 121.234 . . . . . . A 55 ILE N . 25243 1 637 . 1 1 56 56 ASP H H 1 8.756 . . . . . . A 56 ASP H . 25243 1 638 . 1 1 56 56 ASP HA H 1 4.722 . . . . . . A 56 ASP HA . 25243 1 639 . 1 1 56 56 ASP HB2 H 1 2.604 . . . . . . A 56 ASP HB2 . 25243 1 640 . 1 1 56 56 ASP HB3 H 1 2.862 . . . . . . A 56 ASP HB3 . 25243 1 641 . 1 1 56 56 ASP C C 13 176.315 . . . . . . A 56 ASP C . 25243 1 642 . 1 1 56 56 ASP CA C 13 52.330 . . . . . . A 56 ASP CA . 25243 1 643 . 1 1 56 56 ASP CB C 13 41.065 . . . . . . A 56 ASP CB . 25243 1 644 . 1 1 56 56 ASP N N 15 126.882 . . . . . . A 56 ASP N . 25243 1 645 . 1 1 57 57 ILE H H 1 8.589 . . . . . . A 57 ILE H . 25243 1 646 . 1 1 57 57 ILE HA H 1 4.449 . . . . . . A 57 ILE HA . 25243 1 647 . 1 1 57 57 ILE HB H 1 2.215 . . . . . . A 57 ILE HB . 25243 1 648 . 1 1 57 57 ILE HG12 H 1 1.073 . . . . . . A 57 ILE HG12 . 25243 1 649 . 1 1 57 57 ILE HG13 H 1 0.970 . . . . . . A 57 ILE HG13 . 25243 1 650 . 1 1 57 57 ILE HG21 H 1 0.692 . . . . . . A 57 ILE HG21 . 25243 1 651 . 1 1 57 57 ILE HG22 H 1 0.692 . . . . . . A 57 ILE HG22 . 25243 1 652 . 1 1 57 57 ILE HG23 H 1 0.692 . . . . . . A 57 ILE HG23 . 25243 1 653 . 1 1 57 57 ILE HD11 H 1 0.478 . . . . . . A 57 ILE HD11 . 25243 1 654 . 1 1 57 57 ILE HD12 H 1 0.478 . . . . . . A 57 ILE HD12 . 25243 1 655 . 1 1 57 57 ILE HD13 H 1 0.478 . . . . . . A 57 ILE HD13 . 25243 1 656 . 1 1 57 57 ILE C C 13 177.021 . . . . . . A 57 ILE C . 25243 1 657 . 1 1 57 57 ILE CA C 13 61.189 . . . . . . A 57 ILE CA . 25243 1 658 . 1 1 57 57 ILE CB C 13 38.102 . . . . . . A 57 ILE CB . 25243 1 659 . 1 1 57 57 ILE CG1 C 13 27.756 . . . . . . A 57 ILE CG1 . 25243 1 660 . 1 1 57 57 ILE CG2 C 13 18.249 . . . . . . A 57 ILE CG2 . 25243 1 661 . 1 1 57 57 ILE CD1 C 13 14.700 . . . . . . A 57 ILE CD1 . 25243 1 662 . 1 1 57 57 ILE N N 15 119.830 . . . . . . A 57 ILE N . 25243 1 663 . 1 1 58 58 SER H H 1 8.707 . . . . . . A 58 SER H . 25243 1 664 . 1 1 58 58 SER HA H 1 3.979 . . . . . . A 58 SER HA . 25243 1 665 . 1 1 58 58 SER HB2 H 1 3.757 . . . . . . A 58 SER HB2 . 25243 1 666 . 1 1 58 58 SER C C 13 178.719 . . . . . . A 58 SER C . 25243 1 667 . 1 1 58 58 SER CA C 13 63.105 . . . . . . A 58 SER CA . 25243 1 668 . 1 1 58 58 SER CB C 13 62.072 . . . . . . A 58 SER CB . 25243 1 669 . 1 1 58 58 SER N N 15 118.346 . . . . . . A 58 SER N . 25243 1 670 . 1 1 59 59 GLY H H 1 8.546 . . . . . . A 59 GLY H . 25243 1 671 . 1 1 59 59 GLY HA2 H 1 4.367 . . . . . . A 59 GLY HA2 . 25243 1 672 . 1 1 59 59 GLY HA3 H 1 3.540 . . . . . . A 59 GLY HA3 . 25243 1 673 . 1 1 59 59 GLY C C 13 178.630 . . . . . . A 59 GLY C . 25243 1 674 . 1 1 59 59 GLY CA C 13 44.479 . . . . . . A 59 GLY CA . 25243 1 675 . 1 1 59 59 GLY N N 15 110.766 . . . . . . A 59 GLY N . 25243 1 676 . 1 1 60 60 GLN H H 1 7.255 . . . . . . A 60 GLN H . 25243 1 677 . 1 1 60 60 GLN HA H 1 4.382 . . . . . . A 60 GLN HA . 25243 1 678 . 1 1 60 60 GLN HB2 H 1 2.372 . . . . . . A 60 GLN HB2 . 25243 1 679 . 1 1 60 60 GLN HB3 H 1 2.062 . . . . . . A 60 GLN HB3 . 25243 1 680 . 1 1 60 60 GLN HG2 H 1 2.216 . . . . . . A 60 GLN HG2 . 25243 1 681 . 1 1 60 60 GLN HG3 H 1 2.395 . . . . . . A 60 GLN HG3 . 25243 1 682 . 1 1 60 60 GLN HE21 H 1 6.468 . . . . . . A 60 GLN HE21 . 25243 1 683 . 1 1 60 60 GLN HE22 H 1 8.508 . . . . . . A 60 GLN HE22 . 25243 1 684 . 1 1 60 60 GLN C C 13 179.095 . . . . . . A 60 GLN C . 25243 1 685 . 1 1 60 60 GLN CA C 13 56.164 . . . . . . A 60 GLN CA . 25243 1 686 . 1 1 60 60 GLN CB C 13 28.610 . . . . . . A 60 GLN CB . 25243 1 687 . 1 1 60 60 GLN CG C 13 36.803 . . . . . . A 60 GLN CG . 25243 1 688 . 1 1 60 60 GLN N N 15 120.776 . . . . . . A 60 GLN N . 25243 1 689 . 1 1 60 60 GLN NE2 N 15 110.230 . . . . . . A 60 GLN NE2 . 25243 1 690 . 1 1 61 61 THR H H 1 8.384 . . . . . . A 61 THR H . 25243 1 691 . 1 1 61 61 THR HA H 1 4.416 . . . . . . A 61 THR HA . 25243 1 692 . 1 1 61 61 THR HB H 1 4.257 . . . . . . A 61 THR HB . 25243 1 693 . 1 1 61 61 THR HG21 H 1 1.169 . . . . . . A 61 THR HG21 . 25243 1 694 . 1 1 61 61 THR HG22 H 1 1.169 . . . . . . A 61 THR HG22 . 25243 1 695 . 1 1 61 61 THR HG23 H 1 1.169 . . . . . . A 61 THR HG23 . 25243 1 696 . 1 1 61 61 THR C C 13 178.085 . . . . . . A 61 THR C . 25243 1 697 . 1 1 61 61 THR CA C 13 60.115 . . . . . . A 61 THR CA . 25243 1 698 . 1 1 61 61 THR CB C 13 69.767 . . . . . . A 61 THR CB . 25243 1 699 . 1 1 61 61 THR CG2 C 13 21.805 . . . . . . A 61 THR CG2 . 25243 1 700 . 1 1 61 61 THR N N 15 108.698 . . . . . . A 61 THR N . 25243 1 701 . 1 1 62 62 SER H H 1 8.781 . . . . . . A 62 SER H . 25243 1 702 . 1 1 62 62 SER HA H 1 4.944 . . . . . . A 62 SER HA . 25243 1 703 . 1 1 62 62 SER HB2 H 1 3.677 . . . . . . A 62 SER HB2 . 25243 1 704 . 1 1 62 62 SER HB3 H 1 3.259 . . . . . . A 62 SER HB3 . 25243 1 705 . 1 1 62 62 SER C C 13 179.448 . . . . . . A 62 SER C . 25243 1 706 . 1 1 62 62 SER CA C 13 55.680 . . . . . . A 62 SER CA . 25243 1 707 . 1 1 62 62 SER CB C 13 63.590 . . . . . . A 62 SER CB . 25243 1 708 . 1 1 62 62 SER N N 15 119.145 . . . . . . A 62 SER N . 25243 1 709 . 1 1 63 63 ASP H H 1 9.885 . . . . . . A 63 ASP H . 25243 1 710 . 1 1 63 63 ASP HA H 1 5.415 . . . . . . A 63 ASP HA . 25243 1 711 . 1 1 63 63 ASP HB2 H 1 2.791 . . . . . . A 63 ASP HB2 . 25243 1 712 . 1 1 63 63 ASP HB3 H 1 2.660 . . . . . . A 63 ASP HB3 . 25243 1 713 . 1 1 63 63 ASP CA C 13 51.873 . . . . . . A 63 ASP CA . 25243 1 714 . 1 1 63 63 ASP CB C 13 46.568 . . . . . . A 63 ASP CB . 25243 1 715 . 1 1 63 63 ASP N N 15 128.402 . . . . . . A 63 ASP N . 25243 1 716 . 1 1 64 64 PRO HA H 1 4.870 . . . . . . A 64 PRO HA . 25243 1 717 . 1 1 64 64 PRO HB2 H 1 2.343 . . . . . . A 64 PRO HB2 . 25243 1 718 . 1 1 64 64 PRO HB3 H 1 2.125 . . . . . . A 64 PRO HB3 . 25243 1 719 . 1 1 64 64 PRO HG2 H 1 2.177 . . . . . . A 64 PRO HG2 . 25243 1 720 . 1 1 64 64 PRO HG3 H 1 2.078 . . . . . . A 64 PRO HG3 . 25243 1 721 . 1 1 64 64 PRO HD2 H 1 3.898 . . . . . . A 64 PRO HD2 . 25243 1 722 . 1 1 64 64 PRO C C 13 175.585 . . . . . . A 64 PRO C . 25243 1 723 . 1 1 64 64 PRO CA C 13 61.460 . . . . . . A 64 PRO CA . 25243 1 724 . 1 1 64 64 PRO CB C 13 31.680 . . . . . . A 64 PRO CB . 25243 1 725 . 1 1 64 64 PRO CG C 13 26.930 . . . . . . A 64 PRO CG . 25243 1 726 . 1 1 64 64 PRO CD C 13 50.442 . . . . . . A 64 PRO CD . 25243 1 727 . 1 1 65 65 ILE H H 1 8.843 . . . . . . A 65 ILE H . 25243 1 728 . 1 1 65 65 ILE HA H 1 3.924 . . . . . . A 65 ILE HA . 25243 1 729 . 1 1 65 65 ILE HB H 1 1.243 . . . . . . A 65 ILE HB . 25243 1 730 . 1 1 65 65 ILE HG12 H 1 0.557 . . . . . . A 65 ILE HG12 . 25243 1 731 . 1 1 65 65 ILE HG13 H 1 0.706 . . . . . . A 65 ILE HG13 . 25243 1 732 . 1 1 65 65 ILE HG21 H 1 0.751 . . . . . . A 65 ILE HG21 . 25243 1 733 . 1 1 65 65 ILE HG22 H 1 0.751 . . . . . . A 65 ILE HG22 . 25243 1 734 . 1 1 65 65 ILE HG23 H 1 0.751 . . . . . . A 65 ILE HG23 . 25243 1 735 . 1 1 65 65 ILE HD11 H 1 -0.575 . . . . . . A 65 ILE HD11 . 25243 1 736 . 1 1 65 65 ILE HD12 H 1 -0.575 . . . . . . A 65 ILE HD12 . 25243 1 737 . 1 1 65 65 ILE HD13 H 1 -0.575 . . . . . . A 65 ILE HD13 . 25243 1 738 . 1 1 65 65 ILE C C 13 177.350 . . . . . . A 65 ILE C . 25243 1 739 . 1 1 65 65 ILE CA C 13 64.655 . . . . . . A 65 ILE CA . 25243 1 740 . 1 1 65 65 ILE CB C 13 38.513 . . . . . . A 65 ILE CB . 25243 1 741 . 1 1 65 65 ILE CG1 C 13 29.373 . . . . . . A 65 ILE CG1 . 25243 1 742 . 1 1 65 65 ILE CG2 C 13 15.902 . . . . . . A 65 ILE CG2 . 25243 1 743 . 1 1 65 65 ILE CD1 C 13 13.227 . . . . . . A 65 ILE CD1 . 25243 1 744 . 1 1 65 65 ILE N N 15 124.446 . . . . . . A 65 ILE N . 25243 1 745 . 1 1 66 66 GLU H H 1 8.519 . . . . . . A 66 GLU H . 25243 1 746 . 1 1 66 66 GLU HA H 1 4.401 . . . . . . A 66 GLU HA . 25243 1 747 . 1 1 66 66 GLU HB2 H 1 2.155 . . . . . . A 66 GLU HB2 . 25243 1 748 . 1 1 66 66 GLU HB3 H 1 2.126 . . . . . . A 66 GLU HB3 . 25243 1 749 . 1 1 66 66 GLU HG2 H 1 2.325 . . . . . . A 66 GLU HG2 . 25243 1 750 . 1 1 66 66 GLU C C 13 177.107 . . . . . . A 66 GLU C . 25243 1 751 . 1 1 66 66 GLU CA C 13 58.580 . . . . . . A 66 GLU CA . 25243 1 752 . 1 1 66 66 GLU CB C 13 28.899 . . . . . . A 66 GLU CB . 25243 1 753 . 1 1 66 66 GLU CG C 13 36.311 . . . . . . A 66 GLU CG . 25243 1 754 . 1 1 66 66 GLU N N 15 118.954 . . . . . . A 66 GLU N . 25243 1 755 . 1 1 67 67 ASN H H 1 7.687 . . . . . . A 67 ASN H . 25243 1 756 . 1 1 67 67 ASN HA H 1 4.559 . . . . . . A 67 ASN HA . 25243 1 757 . 1 1 67 67 ASN HB2 H 1 2.451 . . . . . . A 67 ASN HB2 . 25243 1 758 . 1 1 67 67 ASN HB3 H 1 2.359 . . . . . . A 67 ASN HB3 . 25243 1 759 . 1 1 67 67 ASN HD21 H 1 6.884 . . . . . . A 67 ASN HD21 . 25243 1 760 . 1 1 67 67 ASN HD22 H 1 7.583 . . . . . . A 67 ASN HD22 . 25243 1 761 . 1 1 67 67 ASN C C 13 179.682 . . . . . . A 67 ASN C . 25243 1 762 . 1 1 67 67 ASN CA C 13 53.051 . . . . . . A 67 ASN CA . 25243 1 763 . 1 1 67 67 ASN CB C 13 37.176 . . . . . . A 67 ASN CB . 25243 1 764 . 1 1 67 67 ASN N N 15 118.194 . . . . . . A 67 ASN N . 25243 1 765 . 1 1 67 67 ASN ND2 N 15 109.528 . . . . . . A 67 ASN ND2 . 25243 1 766 . 1 1 68 68 PHE H H 1 8.045 . . . . . . A 68 PHE H . 25243 1 767 . 1 1 68 68 PHE HA H 1 4.901 . . . . . . A 68 PHE HA . 25243 1 768 . 1 1 68 68 PHE HB2 H 1 3.017 . . . . . . A 68 PHE HB2 . 25243 1 769 . 1 1 68 68 PHE HB3 H 1 3.433 . . . . . . A 68 PHE HB3 . 25243 1 770 . 1 1 68 68 PHE HD1 H 1 7.355 . . . . . . A 68 PHE HD1 . 25243 1 771 . 1 1 68 68 PHE HD2 H 1 7.345 . . . . . . A 68 PHE HD2 . 25243 1 772 . 1 1 68 68 PHE HE2 H 1 6.576 . . . . . . A 68 PHE HE2 . 25243 1 773 . 1 1 68 68 PHE HZ H 1 7.628 . . . . . . A 68 PHE HZ . 25243 1 774 . 1 1 68 68 PHE C C 13 180.595 . . . . . . A 68 PHE C . 25243 1 775 . 1 1 68 68 PHE CA C 13 57.000 . . . . . . A 68 PHE CA . 25243 1 776 . 1 1 68 68 PHE CB C 13 42.620 . . . . . . A 68 PHE CB . 25243 1 777 . 1 1 68 68 PHE CD1 C 13 132.837 . . . . . . A 68 PHE CD1 . 25243 1 778 . 1 1 68 68 PHE CD2 C 13 115.549 . . . . . . A 68 PHE CD2 . 25243 1 779 . 1 1 68 68 PHE CE2 C 13 124.163 . . . . . . A 68 PHE CE2 . 25243 1 780 . 1 1 68 68 PHE CZ C 13 120.241 . . . . . . A 68 PHE CZ . 25243 1 781 . 1 1 68 68 PHE N N 15 118.850 . . . . . . A 68 PHE N . 25243 1 782 . 1 1 69 69 ASN H H 1 9.177 . . . . . . A 69 ASN H . 25243 1 783 . 1 1 69 69 ASN HA H 1 5.013 . . . . . . A 69 ASN HA . 25243 1 784 . 1 1 69 69 ASN HB2 H 1 2.898 . . . . . . A 69 ASN HB2 . 25243 1 785 . 1 1 69 69 ASN HB3 H 1 2.683 . . . . . . A 69 ASN HB3 . 25243 1 786 . 1 1 69 69 ASN HD21 H 1 6.964 . . . . . . A 69 ASN HD21 . 25243 1 787 . 1 1 69 69 ASN HD22 H 1 7.525 . . . . . . A 69 ASN HD22 . 25243 1 788 . 1 1 69 69 ASN C C 13 178.722 . . . . . . A 69 ASN C . 25243 1 789 . 1 1 69 69 ASN CA C 13 51.310 . . . . . . A 69 ASN CA . 25243 1 790 . 1 1 69 69 ASN CB C 13 39.754 . . . . . . A 69 ASN CB . 25243 1 791 . 1 1 69 69 ASN N N 15 120.042 . . . . . . A 69 ASN N . 25243 1 792 . 1 1 69 69 ASN ND2 N 15 113.741 . . . . . . A 69 ASN ND2 . 25243 1 793 . 1 1 70 70 ALA H H 1 8.257 . . . . . . A 70 ALA H . 25243 1 794 . 1 1 70 70 ALA HA H 1 1.859 . . . . . . A 70 ALA HA . 25243 1 795 . 1 1 70 70 ALA HB1 H 1 -0.292 . . . . . . A 70 ALA HB1 . 25243 1 796 . 1 1 70 70 ALA HB2 H 1 -0.292 . . . . . . A 70 ALA HB2 . 25243 1 797 . 1 1 70 70 ALA HB3 H 1 -0.292 . . . . . . A 70 ALA HB3 . 25243 1 798 . 1 1 70 70 ALA C C 13 176.237 . . . . . . A 70 ALA C . 25243 1 799 . 1 1 70 70 ALA CA C 13 54.520 . . . . . . A 70 ALA CA . 25243 1 800 . 1 1 70 70 ALA CB C 13 18.250 . . . . . . A 70 ALA CB . 25243 1 801 . 1 1 70 70 ALA N N 15 129.925 . . . . . . A 70 ALA N . 25243 1 802 . 1 1 71 71 ASP H H 1 7.436 . . . . . . A 71 ASP H . 25243 1 803 . 1 1 71 71 ASP HA H 1 4.222 . . . . . . A 71 ASP HA . 25243 1 804 . 1 1 71 71 ASP HB2 H 1 2.483 . . . . . . A 71 ASP HB2 . 25243 1 805 . 1 1 71 71 ASP HB3 H 1 2.348 . . . . . . A 71 ASP HB3 . 25243 1 806 . 1 1 71 71 ASP C C 13 176.183 . . . . . . A 71 ASP C . 25243 1 807 . 1 1 71 71 ASP CA C 13 55.255 . . . . . . A 71 ASP CA . 25243 1 808 . 1 1 71 71 ASP CB C 13 40.510 . . . . . . A 71 ASP CB . 25243 1 809 . 1 1 71 71 ASP N N 15 109.413 . . . . . . A 71 ASP N . 25243 1 810 . 1 1 72 72 ASP H H 1 7.579 . . . . . . A 72 ASP H . 25243 1 811 . 1 1 72 72 ASP HA H 1 4.236 . . . . . . A 72 ASP HA . 25243 1 812 . 1 1 72 72 ASP HB2 H 1 2.749 . . . . . . A 72 ASP HB2 . 25243 1 813 . 1 1 72 72 ASP HB3 H 1 2.239 . . . . . . A 72 ASP HB3 . 25243 1 814 . 1 1 72 72 ASP C C 13 178.181 . . . . . . A 72 ASP C . 25243 1 815 . 1 1 72 72 ASP CA C 13 55.230 . . . . . . A 72 ASP CA . 25243 1 816 . 1 1 72 72 ASP CB C 13 40.520 . . . . . . A 72 ASP CB . 25243 1 817 . 1 1 72 72 ASP N N 15 116.787 . . . . . . A 72 ASP N . 25243 1 818 . 1 1 73 73 TYR H H 1 7.735 . . . . . . A 73 TYR H . 25243 1 819 . 1 1 73 73 TYR HA H 1 4.072 . . . . . . A 73 TYR HA . 25243 1 820 . 1 1 73 73 TYR HB2 H 1 2.792 . . . . . . A 73 TYR HB2 . 25243 1 821 . 1 1 73 73 TYR HB3 H 1 2.717 . . . . . . A 73 TYR HB3 . 25243 1 822 . 1 1 73 73 TYR HD1 H 1 6.935 . . . . . . A 73 TYR HD1 . 25243 1 823 . 1 1 73 73 TYR HE1 H 1 7.120 . . . . . . A 73 TYR HE1 . 25243 1 824 . 1 1 73 73 TYR C C 13 179.937 . . . . . . A 73 TYR C . 25243 1 825 . 1 1 73 73 TYR CA C 13 59.171 . . . . . . A 73 TYR CA . 25243 1 826 . 1 1 73 73 TYR CB C 13 40.172 . . . . . . A 73 TYR CB . 25243 1 827 . 1 1 73 73 TYR CD1 C 13 118.006 . . . . . . A 73 TYR CD1 . 25243 1 828 . 1 1 73 73 TYR CE1 C 13 130.196 . . . . . . A 73 TYR CE1 . 25243 1 829 . 1 1 73 73 TYR N N 15 117.664 . . . . . . A 73 TYR N . 25243 1 830 . 1 1 74 74 ASP H H 1 8.462 . . . . . . A 74 ASP H . 25243 1 831 . 1 1 74 74 ASP HA H 1 4.995 . . . . . . A 74 ASP HA . 25243 1 832 . 1 1 74 74 ASP HB2 H 1 2.954 . . . . . . A 74 ASP HB2 . 25243 1 833 . 1 1 74 74 ASP HB3 H 1 2.624 . . . . . . A 74 ASP HB3 . 25243 1 834 . 1 1 74 74 ASP C C 13 179.287 . . . . . . A 74 ASP C . 25243 1 835 . 1 1 74 74 ASP CA C 13 55.960 . . . . . . A 74 ASP CA . 25243 1 836 . 1 1 74 74 ASP CB C 13 45.077 . . . . . . A 74 ASP CB . 25243 1 837 . 1 1 74 74 ASP N N 15 118.905 . . . . . . A 74 ASP N . 25243 1 838 . 1 1 75 75 VAL H H 1 7.897 . . . . . . A 75 VAL H . 25243 1 839 . 1 1 75 75 VAL HA H 1 4.502 . . . . . . A 75 VAL HA . 25243 1 840 . 1 1 75 75 VAL HB H 1 1.958 . . . . . . A 75 VAL HB . 25243 1 841 . 1 1 75 75 VAL HG11 H 1 0.704 . . . . . . A 75 VAL HG11 . 25243 1 842 . 1 1 75 75 VAL HG12 H 1 0.704 . . . . . . A 75 VAL HG12 . 25243 1 843 . 1 1 75 75 VAL HG13 H 1 0.704 . . . . . . A 75 VAL HG13 . 25243 1 844 . 1 1 75 75 VAL HG21 H 1 0.829 . . . . . . A 75 VAL HG21 . 25243 1 845 . 1 1 75 75 VAL HG22 H 1 0.829 . . . . . . A 75 VAL HG22 . 25243 1 846 . 1 1 75 75 VAL HG23 H 1 0.829 . . . . . . A 75 VAL HG23 . 25243 1 847 . 1 1 75 75 VAL C C 13 180.225 . . . . . . A 75 VAL C . 25243 1 848 . 1 1 75 75 VAL CA C 13 60.397 . . . . . . A 75 VAL CA . 25243 1 849 . 1 1 75 75 VAL CB C 13 35.140 . . . . . . A 75 VAL CB . 25243 1 850 . 1 1 75 75 VAL CG1 C 13 21.349 . . . . . . A 75 VAL CG1 . 25243 1 851 . 1 1 75 75 VAL CG2 C 13 20.073 . . . . . . A 75 VAL CG2 . 25243 1 852 . 1 1 75 75 VAL N N 15 116.183 . . . . . . A 75 VAL N . 25243 1 853 . 1 1 76 76 VAL H H 1 8.363 . . . . . . A 76 VAL H . 25243 1 854 . 1 1 76 76 VAL HA H 1 4.641 . . . . . . A 76 VAL HA . 25243 1 855 . 1 1 76 76 VAL HB H 1 2.414 . . . . . . A 76 VAL HB . 25243 1 856 . 1 1 76 76 VAL HG11 H 1 1.082 . . . . . . A 76 VAL HG11 . 25243 1 857 . 1 1 76 76 VAL HG12 H 1 1.082 . . . . . . A 76 VAL HG12 . 25243 1 858 . 1 1 76 76 VAL HG13 H 1 1.082 . . . . . . A 76 VAL HG13 . 25243 1 859 . 1 1 76 76 VAL HG21 H 1 1.271 . . . . . . A 76 VAL HG21 . 25243 1 860 . 1 1 76 76 VAL HG22 H 1 1.271 . . . . . . A 76 VAL HG22 . 25243 1 861 . 1 1 76 76 VAL HG23 H 1 1.271 . . . . . . A 76 VAL HG23 . 25243 1 862 . 1 1 76 76 VAL C C 13 181.215 . . . . . . A 76 VAL C . 25243 1 863 . 1 1 76 76 VAL CA C 13 61.110 . . . . . . A 76 VAL CA . 25243 1 864 . 1 1 76 76 VAL CB C 13 35.070 . . . . . . A 76 VAL CB . 25243 1 865 . 1 1 76 76 VAL CG1 C 13 20.750 . . . . . . A 76 VAL CG1 . 25243 1 866 . 1 1 76 76 VAL CG2 C 13 20.330 . . . . . . A 76 VAL CG2 . 25243 1 867 . 1 1 76 76 VAL N N 15 128.036 . . . . . . A 76 VAL N . 25243 1 868 . 1 1 77 77 ILE H H 1 8.507 . . . . . . A 77 ILE H . 25243 1 869 . 1 1 77 77 ILE HA H 1 4.476 . . . . . . A 77 ILE HA . 25243 1 870 . 1 1 77 77 ILE HB H 1 1.448 . . . . . . A 77 ILE HB . 25243 1 871 . 1 1 77 77 ILE HG12 H 1 0.736 . . . . . . A 77 ILE HG12 . 25243 1 872 . 1 1 77 77 ILE HG13 H 1 0.514 . . . . . . A 77 ILE HG13 . 25243 1 873 . 1 1 77 77 ILE HG21 H 1 -1.080 . . . . . . A 77 ILE HG21 . 25243 1 874 . 1 1 77 77 ILE HG22 H 1 -1.080 . . . . . . A 77 ILE HG22 . 25243 1 875 . 1 1 77 77 ILE HG23 H 1 -1.080 . . . . . . A 77 ILE HG23 . 25243 1 876 . 1 1 77 77 ILE HD11 H 1 0.308 . . . . . . A 77 ILE HD11 . 25243 1 877 . 1 1 77 77 ILE HD12 H 1 0.308 . . . . . . A 77 ILE HD12 . 25243 1 878 . 1 1 77 77 ILE HD13 H 1 0.308 . . . . . . A 77 ILE HD13 . 25243 1 879 . 1 1 77 77 ILE C C 13 177.273 . . . . . . A 77 ILE C . 25243 1 880 . 1 1 77 77 ILE CA C 13 55.630 . . . . . . A 77 ILE CA . 25243 1 881 . 1 1 77 77 ILE CB C 13 37.531 . . . . . . A 77 ILE CB . 25243 1 882 . 1 1 77 77 ILE CG1 C 13 25.071 . . . . . . A 77 ILE CG1 . 25243 1 883 . 1 1 77 77 ILE CG2 C 13 13.864 . . . . . . A 77 ILE CG2 . 25243 1 884 . 1 1 77 77 ILE CD1 C 13 10.207 . . . . . . A 77 ILE CD1 . 25243 1 885 . 1 1 77 77 ILE N N 15 125.838 . . . . . . A 77 ILE N . 25243 1 886 . 1 1 78 78 SER H H 1 8.821 . . . . . . A 78 SER H . 25243 1 887 . 1 1 78 78 SER HA H 1 5.196 . . . . . . A 78 SER HA . 25243 1 888 . 1 1 78 78 SER HB2 H 1 3.821 . . . . . . A 78 SER HB2 . 25243 1 889 . 1 1 78 78 SER HB3 H 1 3.759 . . . . . . A 78 SER HB3 . 25243 1 890 . 1 1 78 78 SER C C 13 178.556 . . . . . . A 78 SER C . 25243 1 891 . 1 1 78 78 SER CA C 13 56.170 . . . . . . A 78 SER CA . 25243 1 892 . 1 1 78 78 SER CB C 13 64.430 . . . . . . A 78 SER CB . 25243 1 893 . 1 1 78 78 SER N N 15 120.285 . . . . . . A 78 SER N . 25243 1 894 . 1 1 79 79 LEU H H 1 8.831 . . . . . . A 79 LEU H . 25243 1 895 . 1 1 79 79 LEU HA H 1 5.058 . . . . . . A 79 LEU HA . 25243 1 896 . 1 1 79 79 LEU HB2 H 1 2.033 . . . . . . A 79 LEU HB2 . 25243 1 897 . 1 1 79 79 LEU HB3 H 1 1.250 . . . . . . A 79 LEU HB3 . 25243 1 898 . 1 1 79 79 LEU HG H 1 0.963 . . . . . . A 79 LEU HG . 25243 1 899 . 1 1 79 79 LEU HD11 H 1 0.731 . . . . . . A 79 LEU HD11 . 25243 1 900 . 1 1 79 79 LEU HD12 H 1 0.731 . . . . . . A 79 LEU HD12 . 25243 1 901 . 1 1 79 79 LEU HD13 H 1 0.731 . . . . . . A 79 LEU HD13 . 25243 1 902 . 1 1 79 79 LEU HD21 H 1 1.670 . . . . . . A 79 LEU HD21 . 25243 1 903 . 1 1 79 79 LEU HD22 H 1 1.670 . . . . . . A 79 LEU HD22 . 25243 1 904 . 1 1 79 79 LEU HD23 H 1 1.670 . . . . . . A 79 LEU HD23 . 25243 1 905 . 1 1 79 79 LEU C C 13 177.746 . . . . . . A 79 LEU C . 25243 1 906 . 1 1 79 79 LEU CA C 13 54.920 . . . . . . A 79 LEU CA . 25243 1 907 . 1 1 79 79 LEU CB C 13 43.433 . . . . . . A 79 LEU CB . 25243 1 908 . 1 1 79 79 LEU CG C 13 28.172 . . . . . . A 79 LEU CG . 25243 1 909 . 1 1 79 79 LEU CD1 C 13 27.805 . . . . . . A 79 LEU CD1 . 25243 1 910 . 1 1 79 79 LEU CD2 C 13 28.063 . . . . . . A 79 LEU CD2 . 25243 1 911 . 1 1 79 79 LEU N N 15 123.060 . . . . . . A 79 LEU N . 25243 1 912 . 1 1 80 80 CYS H H 1 7.885 . . . . . . A 80 CYS H . 25243 1 913 . 1 1 80 80 CYS HA H 1 5.044 . . . . . . A 80 CYS HA . 25243 1 914 . 1 1 80 80 CYS HB2 H 1 3.871 . . . . . . A 80 CYS HB2 . 25243 1 915 . 1 1 80 80 CYS C C 13 178.392 . . . . . . A 80 CYS C . 25243 1 916 . 1 1 80 80 CYS CA C 13 54.790 . . . . . . A 80 CYS CA . 25243 1 917 . 1 1 80 80 CYS CB C 13 43.288 . . . . . . A 80 CYS CB . 25243 1 918 . 1 1 80 80 CYS N N 15 110.579 . . . . . . A 80 CYS N . 25243 1 919 . 1 1 81 81 GLY H H 1 9.646 . . . . . . A 81 GLY H . 25243 1 920 . 1 1 81 81 GLY HA2 H 1 3.862 . . . . . . A 81 GLY HA2 . 25243 1 921 . 1 1 81 81 GLY HA3 H 1 4.102 . . . . . . A 81 GLY HA3 . 25243 1 922 . 1 1 81 81 GLY C C 13 177.596 . . . . . . A 81 GLY C . 25243 1 923 . 1 1 81 81 GLY CA C 13 48.200 . . . . . . A 81 GLY CA . 25243 1 924 . 1 1 81 81 GLY N N 15 114.909 . . . . . . A 81 GLY N . 25243 1 925 . 1 1 82 82 CYS H H 1 8.031 . . . . . . A 82 CYS H . 25243 1 926 . 1 1 82 82 CYS C C 13 178.979 . . . . . . A 82 CYS C . 25243 1 927 . 1 1 82 82 CYS CA C 13 55.903 . . . . . . A 82 CYS CA . 25243 1 928 . 1 1 82 82 CYS N N 15 112.575 . . . . . . A 82 CYS N . 25243 1 929 . 1 1 83 83 GLY H H 1 8.904 . . . . . . A 83 GLY H . 25243 1 930 . 1 1 83 83 GLY HA2 H 1 4.005 . . . . . . A 83 GLY HA2 . 25243 1 931 . 1 1 83 83 GLY HA3 H 1 3.667 . . . . . . A 83 GLY HA3 . 25243 1 932 . 1 1 83 83 GLY C C 13 178.399 . . . . . . A 83 GLY C . 25243 1 933 . 1 1 83 83 GLY CA C 13 47.696 . . . . . . A 83 GLY CA . 25243 1 934 . 1 1 83 83 GLY N N 15 112.197 . . . . . . A 83 GLY N . 25243 1 935 . 1 1 84 84 VAL H H 1 7.902 . . . . . . A 84 VAL H . 25243 1 936 . 1 1 84 84 VAL HA H 1 4.082 . . . . . . A 84 VAL HA . 25243 1 937 . 1 1 84 84 VAL HB H 1 2.177 . . . . . . A 84 VAL HB . 25243 1 938 . 1 1 84 84 VAL HG11 H 1 0.912 . . . . . . A 84 VAL HG11 . 25243 1 939 . 1 1 84 84 VAL HG12 H 1 0.912 . . . . . . A 84 VAL HG12 . 25243 1 940 . 1 1 84 84 VAL HG13 H 1 0.912 . . . . . . A 84 VAL HG13 . 25243 1 941 . 1 1 84 84 VAL HG21 H 1 0.919 . . . . . . A 84 VAL HG21 . 25243 1 942 . 1 1 84 84 VAL HG22 H 1 0.919 . . . . . . A 84 VAL HG22 . 25243 1 943 . 1 1 84 84 VAL HG23 H 1 0.919 . . . . . . A 84 VAL HG23 . 25243 1 944 . 1 1 84 84 VAL C C 13 177.893 . . . . . . A 84 VAL C . 25243 1 945 . 1 1 84 84 VAL CA C 13 63.011 . . . . . . A 84 VAL CA . 25243 1 946 . 1 1 84 84 VAL CB C 13 31.630 . . . . . . A 84 VAL CB . 25243 1 947 . 1 1 84 84 VAL CG1 C 13 19.948 . . . . . . A 84 VAL CG1 . 25243 1 948 . 1 1 84 84 VAL CG2 C 13 20.703 . . . . . . A 84 VAL CG2 . 25243 1 949 . 1 1 84 84 VAL N N 15 115.838 . . . . . . A 84 VAL N . 25243 1 950 . 1 1 85 85 ASN H H 1 7.888 . . . . . . A 85 ASN H . 25243 1 951 . 1 1 85 85 ASN HA H 1 4.786 . . . . . . A 85 ASN HA . 25243 1 952 . 1 1 85 85 ASN HB2 H 1 2.534 . . . . . . A 85 ASN HB2 . 25243 1 953 . 1 1 85 85 ASN HB3 H 1 3.001 . . . . . . A 85 ASN HB3 . 25243 1 954 . 1 1 85 85 ASN HD21 H 1 6.907 . . . . . . A 85 ASN HD21 . 25243 1 955 . 1 1 85 85 ASN HD22 H 1 7.505 . . . . . . A 85 ASN HD22 . 25243 1 956 . 1 1 85 85 ASN C C 13 178.945 . . . . . . A 85 ASN C . 25243 1 957 . 1 1 85 85 ASN CA C 13 53.590 . . . . . . A 85 ASN CA . 25243 1 958 . 1 1 85 85 ASN CB C 13 40.190 . . . . . . A 85 ASN CB . 25243 1 959 . 1 1 85 85 ASN N N 15 117.802 . . . . . . A 85 ASN N . 25243 1 960 . 1 1 85 85 ASN ND2 N 15 111.168 . . . . . . A 85 ASN ND2 . 25243 1 961 . 1 1 86 86 LEU H H 1 7.434 . . . . . . A 86 LEU H . 25243 1 962 . 1 1 86 86 LEU HA H 1 4.393 . . . . . . A 86 LEU HA . 25243 1 963 . 1 1 86 86 LEU HB2 H 1 1.574 . . . . . . A 86 LEU HB2 . 25243 1 964 . 1 1 86 86 LEU HB3 H 1 1.296 . . . . . . A 86 LEU HB3 . 25243 1 965 . 1 1 86 86 LEU HG H 1 1.716 . . . . . . A 86 LEU HG . 25243 1 966 . 1 1 86 86 LEU HD11 H 1 0.724 . . . . . . A 86 LEU HD11 . 25243 1 967 . 1 1 86 86 LEU HD12 H 1 0.724 . . . . . . A 86 LEU HD12 . 25243 1 968 . 1 1 86 86 LEU HD13 H 1 0.724 . . . . . . A 86 LEU HD13 . 25243 1 969 . 1 1 86 86 LEU HD21 H 1 0.603 . . . . . . A 86 LEU HD21 . 25243 1 970 . 1 1 86 86 LEU HD22 H 1 0.603 . . . . . . A 86 LEU HD22 . 25243 1 971 . 1 1 86 86 LEU HD23 H 1 0.603 . . . . . . A 86 LEU HD23 . 25243 1 972 . 1 1 86 86 LEU CA C 13 53.120 . . . . . . A 86 LEU CA . 25243 1 973 . 1 1 86 86 LEU CB C 13 40.808 . . . . . . A 86 LEU CB . 25243 1 974 . 1 1 86 86 LEU CG C 13 27.015 . . . . . . A 86 LEU CG . 25243 1 975 . 1 1 86 86 LEU CD1 C 13 25.706 . . . . . . A 86 LEU CD1 . 25243 1 976 . 1 1 86 86 LEU CD2 C 13 23.948 . . . . . . A 86 LEU CD2 . 25243 1 977 . 1 1 86 86 LEU N N 15 120.437 . . . . . . A 86 LEU N . 25243 1 978 . 1 1 87 87 PRO HA H 1 4.791 . . . . . . A 87 PRO HA . 25243 1 979 . 1 1 87 87 PRO HB2 H 1 2.766 . . . . . . A 87 PRO HB2 . 25243 1 980 . 1 1 87 87 PRO HB3 H 1 2.149 . . . . . . A 87 PRO HB3 . 25243 1 981 . 1 1 87 87 PRO HG2 H 1 2.352 . . . . . . A 87 PRO HG2 . 25243 1 982 . 1 1 87 87 PRO HG3 H 1 2.285 . . . . . . A 87 PRO HG3 . 25243 1 983 . 1 1 87 87 PRO HD2 H 1 3.968 . . . . . . A 87 PRO HD2 . 25243 1 984 . 1 1 87 87 PRO HD3 H 1 3.463 . . . . . . A 87 PRO HD3 . 25243 1 985 . 1 1 87 87 PRO CA C 13 61.788 . . . . . . A 87 PRO CA . 25243 1 986 . 1 1 87 87 PRO CB C 13 31.024 . . . . . . A 87 PRO CB . 25243 1 987 . 1 1 87 87 PRO CG C 13 28.232 . . . . . . A 87 PRO CG . 25243 1 988 . 1 1 87 87 PRO CD C 13 50.120 . . . . . . A 87 PRO CD . 25243 1 989 . 1 1 88 88 PRO HA H 1 4.170 . . . . . . A 88 PRO HA . 25243 1 990 . 1 1 88 88 PRO HB2 H 1 2.291 . . . . . . A 88 PRO HB2 . 25243 1 991 . 1 1 88 88 PRO HB3 H 1 1.926 . . . . . . A 88 PRO HB3 . 25243 1 992 . 1 1 88 88 PRO HG2 H 1 2.060 . . . . . . A 88 PRO HG2 . 25243 1 993 . 1 1 88 88 PRO HG3 H 1 2.060 . . . . . . A 88 PRO HG3 . 25243 1 994 . 1 1 88 88 PRO HD2 H 1 3.813 . . . . . . A 88 PRO HD2 . 25243 1 995 . 1 1 88 88 PRO HD3 H 1 3.813 . . . . . . A 88 PRO HD3 . 25243 1 996 . 1 1 88 88 PRO C C 13 175.019 . . . . . . A 88 PRO C . 25243 1 997 . 1 1 88 88 PRO CA C 13 64.900 . . . . . . A 88 PRO CA . 25243 1 998 . 1 1 88 88 PRO CB C 13 31.920 . . . . . . A 88 PRO CB . 25243 1 999 . 1 1 88 88 PRO CG C 13 27.534 . . . . . . A 88 PRO CG . 25243 1 1000 . 1 1 88 88 PRO CD C 13 50.588 . . . . . . A 88 PRO CD . 25243 1 1001 . 1 1 89 89 GLU H H 1 9.761 . . . . . . A 89 GLU H . 25243 1 1002 . 1 1 89 89 GLU HA H 1 3.920 . . . . . . A 89 GLU HA . 25243 1 1003 . 1 1 89 89 GLU HB2 H 1 1.757 . . . . . . A 89 GLU HB2 . 25243 1 1004 . 1 1 89 89 GLU HB3 H 1 1.572 . . . . . . A 89 GLU HB3 . 25243 1 1005 . 1 1 89 89 GLU HG2 H 1 2.001 . . . . . . A 89 GLU HG2 . 25243 1 1006 . 1 1 89 89 GLU HG3 H 1 2.095 . . . . . . A 89 GLU HG3 . 25243 1 1007 . 1 1 89 89 GLU C C 13 175.589 . . . . . . A 89 GLU C . 25243 1 1008 . 1 1 89 89 GLU CA C 13 59.104 . . . . . . A 89 GLU CA . 25243 1 1009 . 1 1 89 89 GLU CB C 13 27.530 . . . . . . A 89 GLU CB . 25243 1 1010 . 1 1 89 89 GLU CG C 13 36.218 . . . . . . A 89 GLU CG . 25243 1 1011 . 1 1 89 89 GLU N N 15 118.191 . . . . . . A 89 GLU N . 25243 1 1012 . 1 1 90 90 TRP H H 1 7.983 . . . . . . A 90 TRP H . 25243 1 1013 . 1 1 90 90 TRP HA H 1 4.127 . . . . . . A 90 TRP HA . 25243 1 1014 . 1 1 90 90 TRP HB2 H 1 3.280 . . . . . . A 90 TRP HB2 . 25243 1 1015 . 1 1 90 90 TRP HB3 H 1 3.066 . . . . . . A 90 TRP HB3 . 25243 1 1016 . 1 1 90 90 TRP HD1 H 1 7.214 . . . . . . A 90 TRP HD1 . 25243 1 1017 . 1 1 90 90 TRP HE1 H 1 10.542 . . . . . . A 90 TRP HE1 . 25243 1 1018 . 1 1 90 90 TRP HZ2 H 1 7.338 . . . . . . A 90 TRP HZ2 . 25243 1 1019 . 1 1 90 90 TRP C C 13 177.208 . . . . . . A 90 TRP C . 25243 1 1020 . 1 1 90 90 TRP CA C 13 60.082 . . . . . . A 90 TRP CA . 25243 1 1021 . 1 1 90 90 TRP CB C 13 29.853 . . . . . . A 90 TRP CB . 25243 1 1022 . 1 1 90 90 TRP CD1 C 13 125.930 . . . . . . A 90 TRP CD1 . 25243 1 1023 . 1 1 90 90 TRP CZ2 C 13 115.598 . . . . . . A 90 TRP CZ2 . 25243 1 1024 . 1 1 90 90 TRP N N 15 118.048 . . . . . . A 90 TRP N . 25243 1 1025 . 1 1 90 90 TRP NE1 N 15 129.452 . . . . . . A 90 TRP NE1 . 25243 1 1026 . 1 1 91 91 VAL H H 1 7.083 . . . . . . A 91 VAL H . 25243 1 1027 . 1 1 91 91 VAL HA H 1 4.206 . . . . . . A 91 VAL HA . 25243 1 1028 . 1 1 91 91 VAL HB H 1 1.641 . . . . . . A 91 VAL HB . 25243 1 1029 . 1 1 91 91 VAL HG11 H 1 0.682 . . . . . . A 91 VAL HG11 . 25243 1 1030 . 1 1 91 91 VAL HG12 H 1 0.682 . . . . . . A 91 VAL HG12 . 25243 1 1031 . 1 1 91 91 VAL HG13 H 1 0.682 . . . . . . A 91 VAL HG13 . 25243 1 1032 . 1 1 91 91 VAL HG21 H 1 -0.003 . . . . . . A 91 VAL HG21 . 25243 1 1033 . 1 1 91 91 VAL HG22 H 1 -0.003 . . . . . . A 91 VAL HG22 . 25243 1 1034 . 1 1 91 91 VAL HG23 H 1 -0.003 . . . . . . A 91 VAL HG23 . 25243 1 1035 . 1 1 91 91 VAL C C 13 176.711 . . . . . . A 91 VAL C . 25243 1 1036 . 1 1 91 91 VAL CA C 13 60.318 . . . . . . A 91 VAL CA . 25243 1 1037 . 1 1 91 91 VAL CB C 13 31.066 . . . . . . A 91 VAL CB . 25243 1 1038 . 1 1 91 91 VAL CG1 C 13 19.276 . . . . . . A 91 VAL CG1 . 25243 1 1039 . 1 1 91 91 VAL CG2 C 13 20.551 . . . . . . A 91 VAL CG2 . 25243 1 1040 . 1 1 91 91 VAL N N 15 108.433 . . . . . . A 91 VAL N . 25243 1 1041 . 1 1 92 92 THR H H 1 6.987 . . . . . . A 92 THR H . 25243 1 1042 . 1 1 92 92 THR HA H 1 4.540 . . . . . . A 92 THR HA . 25243 1 1043 . 1 1 92 92 THR HB H 1 4.508 . . . . . . A 92 THR HB . 25243 1 1044 . 1 1 92 92 THR HG21 H 1 1.097 . . . . . . A 92 THR HG21 . 25243 1 1045 . 1 1 92 92 THR HG22 H 1 1.097 . . . . . . A 92 THR HG22 . 25243 1 1046 . 1 1 92 92 THR HG23 H 1 1.097 . . . . . . A 92 THR HG23 . 25243 1 1047 . 1 1 92 92 THR C C 13 178.140 . . . . . . A 92 THR C . 25243 1 1048 . 1 1 92 92 THR CA C 13 60.847 . . . . . . A 92 THR CA . 25243 1 1049 . 1 1 92 92 THR CB C 13 68.550 . . . . . . A 92 THR CB . 25243 1 1050 . 1 1 92 92 THR CG2 C 13 21.447 . . . . . . A 92 THR CG2 . 25243 1 1051 . 1 1 92 92 THR N N 15 110.010 . . . . . . A 92 THR N . 25243 1 1052 . 1 1 93 93 GLN H H 1 8.016 . . . . . . A 93 GLN H . 25243 1 1053 . 1 1 93 93 GLN HA H 1 4.422 . . . . . . A 93 GLN HA . 25243 1 1054 . 1 1 93 93 GLN HB2 H 1 2.631 . . . . . . A 93 GLN HB2 . 25243 1 1055 . 1 1 93 93 GLN HB3 H 1 1.761 . . . . . . A 93 GLN HB3 . 25243 1 1056 . 1 1 93 93 GLN HG2 H 1 2.468 . . . . . . A 93 GLN HG2 . 25243 1 1057 . 1 1 93 93 GLN HG3 H 1 2.093 . . . . . . A 93 GLN HG3 . 25243 1 1058 . 1 1 93 93 GLN HE21 H 1 6.784 . . . . . . A 93 GLN HE21 . 25243 1 1059 . 1 1 93 93 GLN HE22 H 1 7.231 . . . . . . A 93 GLN HE22 . 25243 1 1060 . 1 1 93 93 GLN C C 13 178.550 . . . . . . A 93 GLN C . 25243 1 1061 . 1 1 93 93 GLN CA C 13 53.827 . . . . . . A 93 GLN CA . 25243 1 1062 . 1 1 93 93 GLN CB C 13 26.309 . . . . . . A 93 GLN CB . 25243 1 1063 . 1 1 93 93 GLN CG C 13 32.997 . . . . . . A 93 GLN CG . 25243 1 1064 . 1 1 93 93 GLN N N 15 119.916 . . . . . . A 93 GLN N . 25243 1 1065 . 1 1 93 93 GLN NE2 N 15 113.747 . . . . . . A 93 GLN NE2 . 25243 1 1066 . 1 1 94 94 GLU H H 1 8.267 . . . . . . A 94 GLU H . 25243 1 1067 . 1 1 94 94 GLU HA H 1 3.906 . . . . . . A 94 GLU HA . 25243 1 1068 . 1 1 94 94 GLU HB2 H 1 2.460 . . . . . . A 94 GLU HB2 . 25243 1 1069 . 1 1 94 94 GLU HB3 H 1 2.237 . . . . . . A 94 GLU HB3 . 25243 1 1070 . 1 1 94 94 GLU HG2 H 1 2.412 . . . . . . A 94 GLU HG2 . 25243 1 1071 . 1 1 94 94 GLU HG3 H 1 2.206 . . . . . . A 94 GLU HG3 . 25243 1 1072 . 1 1 94 94 GLU C C 13 176.163 . . . . . . A 94 GLU C . 25243 1 1073 . 1 1 94 94 GLU CA C 13 60.990 . . . . . . A 94 GLU CA . 25243 1 1074 . 1 1 94 94 GLU CB C 13 29.365 . . . . . . A 94 GLU CB . 25243 1 1075 . 1 1 94 94 GLU CG C 13 35.984 . . . . . . A 94 GLU CG . 25243 1 1076 . 1 1 94 94 GLU N N 15 121.948 . . . . . . A 94 GLU N . 25243 1 1077 . 1 1 95 95 ILE H H 1 7.752 . . . . . . A 95 ILE H . 25243 1 1078 . 1 1 95 95 ILE HA H 1 4.475 . . . . . . A 95 ILE HA . 25243 1 1079 . 1 1 95 95 ILE HB H 1 1.707 . . . . . . A 95 ILE HB . 25243 1 1080 . 1 1 95 95 ILE HG12 H 1 1.556 . . . . . . A 95 ILE HG12 . 25243 1 1081 . 1 1 95 95 ILE HG13 H 1 1.241 . . . . . . A 95 ILE HG13 . 25243 1 1082 . 1 1 95 95 ILE HG21 H 1 0.822 . . . . . . A 95 ILE HG21 . 25243 1 1083 . 1 1 95 95 ILE HG22 H 1 0.822 . . . . . . A 95 ILE HG22 . 25243 1 1084 . 1 1 95 95 ILE HG23 H 1 0.822 . . . . . . A 95 ILE HG23 . 25243 1 1085 . 1 1 95 95 ILE HD11 H 1 0.852 . . . . . . A 95 ILE HD11 . 25243 1 1086 . 1 1 95 95 ILE HD12 H 1 0.852 . . . . . . A 95 ILE HD12 . 25243 1 1087 . 1 1 95 95 ILE HD13 H 1 0.852 . . . . . . A 95 ILE HD13 . 25243 1 1088 . 1 1 95 95 ILE C C 13 178.029 . . . . . . A 95 ILE C . 25243 1 1089 . 1 1 95 95 ILE CA C 13 60.305 . . . . . . A 95 ILE CA . 25243 1 1090 . 1 1 95 95 ILE CB C 13 42.110 . . . . . . A 95 ILE CB . 25243 1 1091 . 1 1 95 95 ILE CG1 C 13 28.058 . . . . . . A 95 ILE CG1 . 25243 1 1092 . 1 1 95 95 ILE CG2 C 13 17.458 . . . . . . A 95 ILE CG2 . 25243 1 1093 . 1 1 95 95 ILE CD1 C 13 12.945 . . . . . . A 95 ILE CD1 . 25243 1 1094 . 1 1 95 95 ILE N N 15 113.845 . . . . . . A 95 ILE N . 25243 1 1095 . 1 1 96 96 PHE H H 1 8.375 . . . . . . A 96 PHE H . 25243 1 1096 . 1 1 96 96 PHE HA H 1 5.888 . . . . . . A 96 PHE HA . 25243 1 1097 . 1 1 96 96 PHE HB2 H 1 3.544 . . . . . . A 96 PHE HB2 . 25243 1 1098 . 1 1 96 96 PHE HB3 H 1 2.703 . . . . . . A 96 PHE HB3 . 25243 1 1099 . 1 1 96 96 PHE HD2 H 1 7.190 . . . . . . A 96 PHE HD2 . 25243 1 1100 . 1 1 96 96 PHE HE2 H 1 7.108 . . . . . . A 96 PHE HE2 . 25243 1 1101 . 1 1 96 96 PHE C C 13 178.570 . . . . . . A 96 PHE C . 25243 1 1102 . 1 1 96 96 PHE CA C 13 57.281 . . . . . . A 96 PHE CA . 25243 1 1103 . 1 1 96 96 PHE CB C 13 42.316 . . . . . . A 96 PHE CB . 25243 1 1104 . 1 1 96 96 PHE CD2 C 13 132.116 . . . . . . A 96 PHE CD2 . 25243 1 1105 . 1 1 96 96 PHE CE2 C 13 129.000 . . . . . . A 96 PHE CE2 . 25243 1 1106 . 1 1 96 96 PHE N N 15 128.978 . . . . . . A 96 PHE N . 25243 1 1107 . 1 1 97 97 GLU H H 1 7.346 . . . . . . A 97 GLU H . 25243 1 1108 . 1 1 97 97 GLU HA H 1 4.134 . . . . . . A 97 GLU HA . 25243 1 1109 . 1 1 97 97 GLU HB2 H 1 1.974 . . . . . . A 97 GLU HB2 . 25243 1 1110 . 1 1 97 97 GLU HB3 H 1 1.644 . . . . . . A 97 GLU HB3 . 25243 1 1111 . 1 1 97 97 GLU HG2 H 1 2.273 . . . . . . A 97 GLU HG2 . 25243 1 1112 . 1 1 97 97 GLU HG3 H 1 1.989 . . . . . . A 97 GLU HG3 . 25243 1 1113 . 1 1 97 97 GLU C C 13 181.527 . . . . . . A 97 GLU C . 25243 1 1114 . 1 1 97 97 GLU CA C 13 54.750 . . . . . . A 97 GLU CA . 25243 1 1115 . 1 1 97 97 GLU CB C 13 34.750 . . . . . . A 97 GLU CB . 25243 1 1116 . 1 1 97 97 GLU CG C 13 36.046 . . . . . . A 97 GLU CG . 25243 1 1117 . 1 1 97 97 GLU N N 15 123.972 . . . . . . A 97 GLU N . 25243 1 1118 . 1 1 98 98 ASP H H 1 8.351 . . . . . . A 98 ASP H . 25243 1 1119 . 1 1 98 98 ASP HA H 1 5.219 . . . . . . A 98 ASP HA . 25243 1 1120 . 1 1 98 98 ASP HB2 H 1 2.953 . . . . . . A 98 ASP HB2 . 25243 1 1121 . 1 1 98 98 ASP HB3 H 1 2.387 . . . . . . A 98 ASP HB3 . 25243 1 1122 . 1 1 98 98 ASP C C 13 177.616 . . . . . . A 98 ASP C . 25243 1 1123 . 1 1 98 98 ASP CA C 13 52.020 . . . . . . A 98 ASP CA . 25243 1 1124 . 1 1 98 98 ASP CB C 13 43.370 . . . . . . A 98 ASP CB . 25243 1 1125 . 1 1 98 98 ASP N N 15 119.719 . . . . . . A 98 ASP N . 25243 1 1126 . 1 1 99 99 TRP H H 1 9.106 . . . . . . A 99 TRP H . 25243 1 1127 . 1 1 99 99 TRP HA H 1 4.966 . . . . . . A 99 TRP HA . 25243 1 1128 . 1 1 99 99 TRP HB2 H 1 3.268 . . . . . . A 99 TRP HB2 . 25243 1 1129 . 1 1 99 99 TRP HB3 H 1 2.945 . . . . . . A 99 TRP HB3 . 25243 1 1130 . 1 1 99 99 TRP HD1 H 1 6.883 . . . . . . A 99 TRP HD1 . 25243 1 1131 . 1 1 99 99 TRP HE1 H 1 11.440 . . . . . . A 99 TRP HE1 . 25243 1 1132 . 1 1 99 99 TRP HZ2 H 1 7.361 . . . . . . A 99 TRP HZ2 . 25243 1 1133 . 1 1 99 99 TRP HH2 H 1 6.879 . . . . . . A 99 TRP HH2 . 25243 1 1134 . 1 1 99 99 TRP C C 13 178.020 . . . . . . A 99 TRP C . 25243 1 1135 . 1 1 99 99 TRP CA C 13 54.160 . . . . . . A 99 TRP CA . 25243 1 1136 . 1 1 99 99 TRP CB C 13 30.220 . . . . . . A 99 TRP CB . 25243 1 1137 . 1 1 99 99 TRP CD1 C 13 124.699 . . . . . . A 99 TRP CD1 . 25243 1 1138 . 1 1 99 99 TRP CZ2 C 13 115.560 . . . . . . A 99 TRP CZ2 . 25243 1 1139 . 1 1 99 99 TRP CH2 C 13 123.085 . . . . . . A 99 TRP CH2 . 25243 1 1140 . 1 1 99 99 TRP N N 15 127.007 . . . . . . A 99 TRP N . 25243 1 1141 . 1 1 99 99 TRP NE1 N 15 132.359 . . . . . . A 99 TRP NE1 . 25243 1 1142 . 1 1 100 100 GLN H H 1 8.789 . . . . . . A 100 GLN H . 25243 1 1143 . 1 1 100 100 GLN HA H 1 3.880 . . . . . . A 100 GLN HA . 25243 1 1144 . 1 1 100 100 GLN HB2 H 1 2.080 . . . . . . A 100 GLN HB2 . 25243 1 1145 . 1 1 100 100 GLN HB3 H 1 1.944 . . . . . . A 100 GLN HB3 . 25243 1 1146 . 1 1 100 100 GLN HG2 H 1 2.528 . . . . . . A 100 GLN HG2 . 25243 1 1147 . 1 1 100 100 GLN HG3 H 1 2.240 . . . . . . A 100 GLN HG3 . 25243 1 1148 . 1 1 100 100 GLN HE21 H 1 7.558 . . . . . . A 100 GLN HE21 . 25243 1 1149 . 1 1 100 100 GLN HE22 H 1 6.800 . . . . . . A 100 GLN HE22 . 25243 1 1150 . 1 1 100 100 GLN C C 13 179.297 . . . . . . A 100 GLN C . 25243 1 1151 . 1 1 100 100 GLN CA C 13 56.514 . . . . . . A 100 GLN CA . 25243 1 1152 . 1 1 100 100 GLN CB C 13 27.657 . . . . . . A 100 GLN CB . 25243 1 1153 . 1 1 100 100 GLN CG C 13 33.940 . . . . . . A 100 GLN CG . 25243 1 1154 . 1 1 100 100 GLN N N 15 120.881 . . . . . . A 100 GLN N . 25243 1 1155 . 1 1 100 100 GLN NE2 N 15 111.872 . . . . . . A 100 GLN NE2 . 25243 1 1156 . 1 1 101 101 LEU H H 1 7.421 . . . . . . A 101 LEU H . 25243 1 1157 . 1 1 101 101 LEU HA H 1 4.616 . . . . . . A 101 LEU HA . 25243 1 1158 . 1 1 101 101 LEU HB2 H 1 1.447 . . . . . . A 101 LEU HB2 . 25243 1 1159 . 1 1 101 101 LEU HB3 H 1 1.709 . . . . . . A 101 LEU HB3 . 25243 1 1160 . 1 1 101 101 LEU HG H 1 1.023 . . . . . . A 101 LEU HG . 25243 1 1161 . 1 1 101 101 LEU HD11 H 1 0.879 . . . . . . A 101 LEU HD11 . 25243 1 1162 . 1 1 101 101 LEU HD12 H 1 0.879 . . . . . . A 101 LEU HD12 . 25243 1 1163 . 1 1 101 101 LEU HD13 H 1 0.879 . . . . . . A 101 LEU HD13 . 25243 1 1164 . 1 1 101 101 LEU HD21 H 1 0.883 . . . . . . A 101 LEU HD21 . 25243 1 1165 . 1 1 101 101 LEU HD22 H 1 0.883 . . . . . . A 101 LEU HD22 . 25243 1 1166 . 1 1 101 101 LEU HD23 H 1 0.883 . . . . . . A 101 LEU HD23 . 25243 1 1167 . 1 1 101 101 LEU C C 13 176.761 . . . . . . A 101 LEU C . 25243 1 1168 . 1 1 101 101 LEU CA C 13 53.176 . . . . . . A 101 LEU CA . 25243 1 1169 . 1 1 101 101 LEU CB C 13 44.043 . . . . . . A 101 LEU CB . 25243 1 1170 . 1 1 101 101 LEU CG C 13 28.311 . . . . . . A 101 LEU CG . 25243 1 1171 . 1 1 101 101 LEU CD1 C 13 23.642 . . . . . . A 101 LEU CD1 . 25243 1 1172 . 1 1 101 101 LEU CD2 C 13 23.546 . . . . . . A 101 LEU CD2 . 25243 1 1173 . 1 1 101 101 LEU N N 15 122.719 . . . . . . A 101 LEU N . 25243 1 1174 . 1 1 102 102 GLU H H 1 8.958 . . . . . . A 102 GLU H . 25243 1 1175 . 1 1 102 102 GLU HA H 1 3.905 . . . . . . A 102 GLU HA . 25243 1 1176 . 1 1 102 102 GLU HB2 H 1 1.802 . . . . . . A 102 GLU HB2 . 25243 1 1177 . 1 1 102 102 GLU HB3 H 1 1.653 . . . . . . A 102 GLU HB3 . 25243 1 1178 . 1 1 102 102 GLU HG2 H 1 2.030 . . . . . . A 102 GLU HG2 . 25243 1 1179 . 1 1 102 102 GLU HG3 H 1 2.030 . . . . . . A 102 GLU HG3 . 25243 1 1180 . 1 1 102 102 GLU C C 13 179.694 . . . . . . A 102 GLU C . 25243 1 1181 . 1 1 102 102 GLU CA C 13 56.405 . . . . . . A 102 GLU CA . 25243 1 1182 . 1 1 102 102 GLU CB C 13 30.190 . . . . . . A 102 GLU CB . 25243 1 1183 . 1 1 102 102 GLU CG C 13 36.046 . . . . . . A 102 GLU CG . 25243 1 1184 . 1 1 102 102 GLU N N 15 125.250 . . . . . . A 102 GLU N . 25243 1 1185 . 1 1 103 103 ASP H H 1 8.276 . . . . . . A 103 ASP H . 25243 1 1186 . 1 1 103 103 ASP HA H 1 4.326 . . . . . . A 103 ASP HA . 25243 1 1187 . 1 1 103 103 ASP HB2 H 1 2.996 . . . . . . A 103 ASP HB2 . 25243 1 1188 . 1 1 103 103 ASP HB3 H 1 2.574 . . . . . . A 103 ASP HB3 . 25243 1 1189 . 1 1 103 103 ASP CA C 13 50.591 . . . . . . A 103 ASP CA . 25243 1 1190 . 1 1 103 103 ASP CB C 13 41.405 . . . . . . A 103 ASP CB . 25243 1 1191 . 1 1 103 103 ASP N N 15 121.014 . . . . . . A 103 ASP N . 25243 1 1192 . 1 1 104 104 PRO HA H 1 3.885 . . . . . . A 104 PRO HA . 25243 1 1193 . 1 1 104 104 PRO HB2 H 1 0.936 . . . . . . A 104 PRO HB2 . 25243 1 1194 . 1 1 104 104 PRO HB3 H 1 0.221 . . . . . . A 104 PRO HB3 . 25243 1 1195 . 1 1 104 104 PRO HG2 H 1 1.304 . . . . . . A 104 PRO HG2 . 25243 1 1196 . 1 1 104 104 PRO HG3 H 1 1.046 . . . . . . A 104 PRO HG3 . 25243 1 1197 . 1 1 104 104 PRO HD2 H 1 4.138 . . . . . . A 104 PRO HD2 . 25243 1 1198 . 1 1 104 104 PRO HD3 H 1 4.031 . . . . . . A 104 PRO HD3 . 25243 1 1199 . 1 1 104 104 PRO C C 13 179.598 . . . . . . A 104 PRO C . 25243 1 1200 . 1 1 104 104 PRO CA C 13 62.765 . . . . . . A 104 PRO CA . 25243 1 1201 . 1 1 104 104 PRO CB C 13 30.628 . . . . . . A 104 PRO CB . 25243 1 1202 . 1 1 104 104 PRO CG C 13 26.513 . . . . . . A 104 PRO CG . 25243 1 1203 . 1 1 104 104 PRO CD C 13 49.244 . . . . . . A 104 PRO CD . 25243 1 1204 . 1 1 105 105 ASP H H 1 7.687 . . . . . . A 105 ASP H . 25243 1 1205 . 1 1 105 105 ASP HA H 1 4.172 . . . . . . A 105 ASP HA . 25243 1 1206 . 1 1 105 105 ASP HB2 H 1 2.796 . . . . . . A 105 ASP HB2 . 25243 1 1207 . 1 1 105 105 ASP HB3 H 1 2.519 . . . . . . A 105 ASP HB3 . 25243 1 1208 . 1 1 105 105 ASP C C 13 175.806 . . . . . . A 105 ASP C . 25243 1 1209 . 1 1 105 105 ASP CA C 13 57.210 . . . . . . A 105 ASP CA . 25243 1 1210 . 1 1 105 105 ASP CB C 13 41.880 . . . . . . A 105 ASP CB . 25243 1 1211 . 1 1 105 105 ASP N N 15 120.535 . . . . . . A 105 ASP N . 25243 1 1212 . 1 1 106 106 GLY H H 1 8.969 . . . . . . A 106 GLY H . 25243 1 1213 . 1 1 106 106 GLY HA2 H 1 4.181 . . . . . . A 106 GLY HA2 . 25243 1 1214 . 1 1 106 106 GLY HA3 H 1 3.878 . . . . . . A 106 GLY HA3 . 25243 1 1215 . 1 1 106 106 GLY C C 13 178.880 . . . . . . A 106 GLY C . 25243 1 1216 . 1 1 106 106 GLY CA C 13 45.773 . . . . . . A 106 GLY CA . 25243 1 1217 . 1 1 106 106 GLY N N 15 114.214 . . . . . . A 106 GLY N . 25243 1 1218 . 1 1 107 107 GLN H H 1 8.289 . . . . . . A 107 GLN H . 25243 1 1219 . 1 1 107 107 GLN HA H 1 4.705 . . . . . . A 107 GLN HA . 25243 1 1220 . 1 1 107 107 GLN HB2 H 1 2.327 . . . . . . A 107 GLN HB2 . 25243 1 1221 . 1 1 107 107 GLN HB3 H 1 2.038 . . . . . . A 107 GLN HB3 . 25243 1 1222 . 1 1 107 107 GLN HG2 H 1 2.267 . . . . . . A 107 GLN HG2 . 25243 1 1223 . 1 1 107 107 GLN HG3 H 1 2.056 . . . . . . A 107 GLN HG3 . 25243 1 1224 . 1 1 107 107 GLN HE21 H 1 7.130 . . . . . . A 107 GLN HE21 . 25243 1 1225 . 1 1 107 107 GLN HE22 H 1 7.437 . . . . . . A 107 GLN HE22 . 25243 1 1226 . 1 1 107 107 GLN C C 13 178.653 . . . . . . A 107 GLN C . 25243 1 1227 . 1 1 107 107 GLN CA C 13 54.340 . . . . . . A 107 GLN CA . 25243 1 1228 . 1 1 107 107 GLN CB C 13 29.590 . . . . . . A 107 GLN CB . 25243 1 1229 . 1 1 107 107 GLN CG C 13 34.133 . . . . . . A 107 GLN CG . 25243 1 1230 . 1 1 107 107 GLN N N 15 118.441 . . . . . . A 107 GLN N . 25243 1 1231 . 1 1 107 107 GLN NE2 N 15 114.450 . . . . . . A 107 GLN NE2 . 25243 1 1232 . 1 1 108 108 SER H H 1 8.276 . . . . . . A 108 SER H . 25243 1 1233 . 1 1 108 108 SER HA H 1 4.495 . . . . . . A 108 SER HA . 25243 1 1234 . 1 1 108 108 SER HB2 H 1 4.115 . . . . . . A 108 SER HB2 . 25243 1 1235 . 1 1 108 108 SER HB3 H 1 4.450 . . . . . . A 108 SER HB3 . 25243 1 1236 . 1 1 108 108 SER C C 13 177.339 . . . . . . A 108 SER C . 25243 1 1237 . 1 1 108 108 SER CA C 13 57.775 . . . . . . A 108 SER CA . 25243 1 1238 . 1 1 108 108 SER CB C 13 65.300 . . . . . . A 108 SER CB . 25243 1 1239 . 1 1 108 108 SER N N 15 114.217 . . . . . . A 108 SER N . 25243 1 1240 . 1 1 109 109 LEU H H 1 8.713 . . . . . . A 109 LEU H . 25243 1 1241 . 1 1 109 109 LEU HA H 1 4.145 . . . . . . A 109 LEU HA . 25243 1 1242 . 1 1 109 109 LEU HB2 H 1 1.818 . . . . . . A 109 LEU HB2 . 25243 1 1243 . 1 1 109 109 LEU HB3 H 1 1.496 . . . . . . A 109 LEU HB3 . 25243 1 1244 . 1 1 109 109 LEU HG H 1 1.805 . . . . . . A 109 LEU HG . 25243 1 1245 . 1 1 109 109 LEU HD11 H 1 0.918 . . . . . . A 109 LEU HD11 . 25243 1 1246 . 1 1 109 109 LEU HD12 H 1 0.918 . . . . . . A 109 LEU HD12 . 25243 1 1247 . 1 1 109 109 LEU HD13 H 1 0.918 . . . . . . A 109 LEU HD13 . 25243 1 1248 . 1 1 109 109 LEU HD21 H 1 0.810 . . . . . . A 109 LEU HD21 . 25243 1 1249 . 1 1 109 109 LEU HD22 H 1 0.810 . . . . . . A 109 LEU HD22 . 25243 1 1250 . 1 1 109 109 LEU HD23 H 1 0.810 . . . . . . A 109 LEU HD23 . 25243 1 1251 . 1 1 109 109 LEU C C 13 174.833 . . . . . . A 109 LEU C . 25243 1 1252 . 1 1 109 109 LEU CA C 13 58.515 . . . . . . A 109 LEU CA . 25243 1 1253 . 1 1 109 109 LEU CB C 13 41.480 . . . . . . A 109 LEU CB . 25243 1 1254 . 1 1 109 109 LEU CG C 13 27.166 . . . . . . A 109 LEU CG . 25243 1 1255 . 1 1 109 109 LEU CD1 C 13 25.367 . . . . . . A 109 LEU CD1 . 25243 1 1256 . 1 1 109 109 LEU CD2 C 13 23.400 . . . . . . A 109 LEU CD2 . 25243 1 1257 . 1 1 109 109 LEU N N 15 120.724 . . . . . . A 109 LEU N . 25243 1 1258 . 1 1 110 110 GLU H H 1 8.336 . . . . . . A 110 GLU H . 25243 1 1259 . 1 1 110 110 GLU HA H 1 4.074 . . . . . . A 110 GLU HA . 25243 1 1260 . 1 1 110 110 GLU HB2 H 1 2.003 . . . . . . A 110 GLU HB2 . 25243 1 1261 . 1 1 110 110 GLU HB3 H 1 2.073 . . . . . . A 110 GLU HB3 . 25243 1 1262 . 1 1 110 110 GLU HG2 H 1 2.372 . . . . . . A 110 GLU HG2 . 25243 1 1263 . 1 1 110 110 GLU HG3 H 1 2.311 . . . . . . A 110 GLU HG3 . 25243 1 1264 . 1 1 110 110 GLU C C 13 173.974 . . . . . . A 110 GLU C . 25243 1 1265 . 1 1 110 110 GLU CA C 13 60.038 . . . . . . A 110 GLU CA . 25243 1 1266 . 1 1 110 110 GLU CB C 13 29.087 . . . . . . A 110 GLU CB . 25243 1 1267 . 1 1 110 110 GLU CG C 13 36.687 . . . . . . A 110 GLU CG . 25243 1 1268 . 1 1 110 110 GLU N N 15 116.800 . . . . . . A 110 GLU N . 25243 1 1269 . 1 1 111 111 VAL H H 1 7.701 . . . . . . A 111 VAL H . 25243 1 1270 . 1 1 111 111 VAL HA H 1 3.711 . . . . . . A 111 VAL HA . 25243 1 1271 . 1 1 111 111 VAL HB H 1 2.226 . . . . . . A 111 VAL HB . 25243 1 1272 . 1 1 111 111 VAL HG11 H 1 1.058 . . . . . . A 111 VAL HG11 . 25243 1 1273 . 1 1 111 111 VAL HG12 H 1 1.058 . . . . . . A 111 VAL HG12 . 25243 1 1274 . 1 1 111 111 VAL HG13 H 1 1.058 . . . . . . A 111 VAL HG13 . 25243 1 1275 . 1 1 111 111 VAL HG21 H 1 0.664 . . . . . . A 111 VAL HG21 . 25243 1 1276 . 1 1 111 111 VAL HG22 H 1 0.664 . . . . . . A 111 VAL HG22 . 25243 1 1277 . 1 1 111 111 VAL HG23 H 1 0.664 . . . . . . A 111 VAL HG23 . 25243 1 1278 . 1 1 111 111 VAL C C 13 175.167 . . . . . . A 111 VAL C . 25243 1 1279 . 1 1 111 111 VAL CA C 13 66.619 . . . . . . A 111 VAL CA . 25243 1 1280 . 1 1 111 111 VAL CB C 13 31.030 . . . . . . A 111 VAL CB . 25243 1 1281 . 1 1 111 111 VAL CG1 C 13 22.633 . . . . . . A 111 VAL CG1 . 25243 1 1282 . 1 1 111 111 VAL CG2 C 13 20.293 . . . . . . A 111 VAL CG2 . 25243 1 1283 . 1 1 111 111 VAL N N 15 122.253 . . . . . . A 111 VAL N . 25243 1 1284 . 1 1 112 112 PHE H H 1 7.994 . . . . . . A 112 PHE H . 25243 1 1285 . 1 1 112 112 PHE HA H 1 3.683 . . . . . . A 112 PHE HA . 25243 1 1286 . 1 1 112 112 PHE HB2 H 1 3.289 . . . . . . A 112 PHE HB2 . 25243 1 1287 . 1 1 112 112 PHE HB3 H 1 2.873 . . . . . . A 112 PHE HB3 . 25243 1 1288 . 1 1 112 112 PHE HD1 H 1 6.990 . . . . . . A 112 PHE HD1 . 25243 1 1289 . 1 1 112 112 PHE HE1 H 1 6.986 . . . . . . A 112 PHE HE1 . 25243 1 1290 . 1 1 112 112 PHE HZ H 1 7.818 . . . . . . A 112 PHE HZ . 25243 1 1291 . 1 1 112 112 PHE C C 13 174.699 . . . . . . A 112 PHE C . 25243 1 1292 . 1 1 112 112 PHE CA C 13 63.760 . . . . . . A 112 PHE CA . 25243 1 1293 . 1 1 112 112 PHE CB C 13 40.080 . . . . . . A 112 PHE CB . 25243 1 1294 . 1 1 112 112 PHE CD1 C 13 130.821 . . . . . . A 112 PHE CD1 . 25243 1 1295 . 1 1 112 112 PHE CE1 C 13 132.293 . . . . . . A 112 PHE CE1 . 25243 1 1296 . 1 1 112 112 PHE CZ C 13 139.132 . . . . . . A 112 PHE CZ . 25243 1 1297 . 1 1 112 112 PHE N N 15 119.862 . . . . . . A 112 PHE N . 25243 1 1298 . 1 1 113 113 ARG H H 1 8.705 . . . . . . A 113 ARG H . 25243 1 1299 . 1 1 113 113 ARG HA H 1 3.810 . . . . . . A 113 ARG HA . 25243 1 1300 . 1 1 113 113 ARG HB2 H 1 1.959 . . . . . . A 113 ARG HB2 . 25243 1 1301 . 1 1 113 113 ARG HB3 H 1 1.836 . . . . . . A 113 ARG HB3 . 25243 1 1302 . 1 1 113 113 ARG HG2 H 1 1.952 . . . . . . A 113 ARG HG2 . 25243 1 1303 . 1 1 113 113 ARG HG3 H 1 1.524 . . . . . . A 113 ARG HG3 . 25243 1 1304 . 1 1 113 113 ARG HD2 H 1 3.194 . . . . . . A 113 ARG HD2 . 25243 1 1305 . 1 1 113 113 ARG HD3 H 1 3.219 . . . . . . A 113 ARG HD3 . 25243 1 1306 . 1 1 113 113 ARG HE H 1 8.850 . . . . . . A 113 ARG HE . 25243 1 1307 . 1 1 113 113 ARG C C 13 174.111 . . . . . . A 113 ARG C . 25243 1 1308 . 1 1 113 113 ARG CA C 13 61.200 . . . . . . A 113 ARG CA . 25243 1 1309 . 1 1 113 113 ARG CB C 13 30.027 . . . . . . A 113 ARG CB . 25243 1 1310 . 1 1 113 113 ARG CG C 13 31.140 . . . . . . A 113 ARG CG . 25243 1 1311 . 1 1 113 113 ARG CD C 13 43.276 . . . . . . A 113 ARG CD . 25243 1 1312 . 1 1 113 113 ARG N N 15 117.860 . . . . . . A 113 ARG N . 25243 1 1313 . 1 1 113 113 ARG NE N 15 87.029 . . . . . . A 113 ARG NE . 25243 1 1314 . 1 1 114 114 THR H H 1 8.419 . . . . . . A 114 THR H . 25243 1 1315 . 1 1 114 114 THR HA H 1 3.946 . . . . . . A 114 THR HA . 25243 1 1316 . 1 1 114 114 THR HB H 1 4.420 . . . . . . A 114 THR HB . 25243 1 1317 . 1 1 114 114 THR HG21 H 1 1.196 . . . . . . A 114 THR HG21 . 25243 1 1318 . 1 1 114 114 THR HG22 H 1 1.196 . . . . . . A 114 THR HG22 . 25243 1 1319 . 1 1 114 114 THR HG23 H 1 1.196 . . . . . . A 114 THR HG23 . 25243 1 1320 . 1 1 114 114 THR C C 13 176.300 . . . . . . A 114 THR C . 25243 1 1321 . 1 1 114 114 THR CA C 13 66.950 . . . . . . A 114 THR CA . 25243 1 1322 . 1 1 114 114 THR CB C 13 68.485 . . . . . . A 114 THR CB . 25243 1 1323 . 1 1 114 114 THR CG2 C 13 21.337 . . . . . . A 114 THR CG2 . 25243 1 1324 . 1 1 114 114 THR N N 15 121.025 . . . . . . A 114 THR N . 25243 1 1325 . 1 1 115 115 VAL H H 1 8.600 . . . . . . A 115 VAL H . 25243 1 1326 . 1 1 115 115 VAL HA H 1 3.855 . . . . . . A 115 VAL HA . 25243 1 1327 . 1 1 115 115 VAL HB H 1 1.954 . . . . . . A 115 VAL HB . 25243 1 1328 . 1 1 115 115 VAL HG11 H 1 0.978 . . . . . . A 115 VAL HG11 . 25243 1 1329 . 1 1 115 115 VAL HG12 H 1 0.978 . . . . . . A 115 VAL HG12 . 25243 1 1330 . 1 1 115 115 VAL HG13 H 1 0.978 . . . . . . A 115 VAL HG13 . 25243 1 1331 . 1 1 115 115 VAL HG21 H 1 0.936 . . . . . . A 115 VAL HG21 . 25243 1 1332 . 1 1 115 115 VAL HG22 H 1 0.936 . . . . . . A 115 VAL HG22 . 25243 1 1333 . 1 1 115 115 VAL HG23 H 1 0.936 . . . . . . A 115 VAL HG23 . 25243 1 1334 . 1 1 115 115 VAL C C 13 176.300 . . . . . . A 115 VAL C . 25243 1 1335 . 1 1 115 115 VAL CA C 13 66.716 . . . . . . A 115 VAL CA . 25243 1 1336 . 1 1 115 115 VAL CB C 13 31.912 . . . . . . A 115 VAL CB . 25243 1 1337 . 1 1 115 115 VAL CG1 C 13 23.413 . . . . . . A 115 VAL CG1 . 25243 1 1338 . 1 1 115 115 VAL CG2 C 13 21.758 . . . . . . A 115 VAL CG2 . 25243 1 1339 . 1 1 115 115 VAL N N 15 123.822 . . . . . . A 115 VAL N . 25243 1 1340 . 1 1 116 116 ARG H H 1 8.610 . . . . . . A 116 ARG H . 25243 1 1341 . 1 1 116 116 ARG HA H 1 4.079 . . . . . . A 116 ARG HA . 25243 1 1342 . 1 1 116 116 ARG HB2 H 1 2.482 . . . . . . A 116 ARG HB2 . 25243 1 1343 . 1 1 116 116 ARG HB3 H 1 1.860 . . . . . . A 116 ARG HB3 . 25243 1 1344 . 1 1 116 116 ARG HG2 H 1 2.182 . . . . . . A 116 ARG HG2 . 25243 1 1345 . 1 1 116 116 ARG HG3 H 1 1.849 . . . . . . A 116 ARG HG3 . 25243 1 1346 . 1 1 116 116 ARG HD2 H 1 3.470 . . . . . . A 116 ARG HD2 . 25243 1 1347 . 1 1 116 116 ARG HD3 H 1 2.767 . . . . . . A 116 ARG HD3 . 25243 1 1348 . 1 1 116 116 ARG C C 13 175.634 . . . . . . A 116 ARG C . 25243 1 1349 . 1 1 116 116 ARG CA C 13 60.628 . . . . . . A 116 ARG CA . 25243 1 1350 . 1 1 116 116 ARG CB C 13 30.870 . . . . . . A 116 ARG CB . 25243 1 1351 . 1 1 116 116 ARG CG C 13 26.658 . . . . . . A 116 ARG CG . 25243 1 1352 . 1 1 116 116 ARG CD C 13 44.420 . . . . . . A 116 ARG CD . 25243 1 1353 . 1 1 116 116 ARG N N 15 120.811 . . . . . . A 116 ARG N . 25243 1 1354 . 1 1 117 117 GLY H H 1 7.950 . . . . . . A 117 GLY H . 25243 1 1355 . 1 1 117 117 GLY HA2 H 1 4.015 . . . . . . A 117 GLY HA2 . 25243 1 1356 . 1 1 117 117 GLY HA3 H 1 3.844 . . . . . . A 117 GLY HA3 . 25243 1 1357 . 1 1 117 117 GLY C C 13 176.767 . . . . . . A 117 GLY C . 25243 1 1358 . 1 1 117 117 GLY CA C 13 47.390 . . . . . . A 117 GLY CA . 25243 1 1359 . 1 1 117 117 GLY N N 15 104.485 . . . . . . A 117 GLY N . 25243 1 1360 . 1 1 118 118 GLN H H 1 7.923 . . . . . . A 118 GLN H . 25243 1 1361 . 1 1 118 118 GLN HA H 1 4.093 . . . . . . A 118 GLN HA . 25243 1 1362 . 1 1 118 118 GLN HB2 H 1 2.443 . . . . . . A 118 GLN HB2 . 25243 1 1363 . 1 1 118 118 GLN HB3 H 1 1.889 . . . . . . A 118 GLN HB3 . 25243 1 1364 . 1 1 118 118 GLN HG2 H 1 2.553 . . . . . . A 118 GLN HG2 . 25243 1 1365 . 1 1 118 118 GLN HG3 H 1 2.340 . . . . . . A 118 GLN HG3 . 25243 1 1366 . 1 1 118 118 GLN HE21 H 1 7.208 . . . . . . A 118 GLN HE21 . 25243 1 1367 . 1 1 118 118 GLN HE22 H 1 6.520 . . . . . . A 118 GLN HE22 . 25243 1 1368 . 1 1 118 118 GLN C C 13 174.254 . . . . . . A 118 GLN C . 25243 1 1369 . 1 1 118 118 GLN CA C 13 58.570 . . . . . . A 118 GLN CA . 25243 1 1370 . 1 1 118 118 GLN CB C 13 28.970 . . . . . . A 118 GLN CB . 25243 1 1371 . 1 1 118 118 GLN CG C 13 33.962 . . . . . . A 118 GLN CG . 25243 1 1372 . 1 1 118 118 GLN N N 15 122.539 . . . . . . A 118 GLN N . 25243 1 1373 . 1 1 118 118 GLN NE2 N 15 108.590 . . . . . . A 118 GLN NE2 . 25243 1 1374 . 1 1 119 119 VAL H H 1 8.821 . . . . . . A 119 VAL H . 25243 1 1375 . 1 1 119 119 VAL HA H 1 3.388 . . . . . . A 119 VAL HA . 25243 1 1376 . 1 1 119 119 VAL HB H 1 2.438 . . . . . . A 119 VAL HB . 25243 1 1377 . 1 1 119 119 VAL HG11 H 1 1.019 . . . . . . A 119 VAL HG11 . 25243 1 1378 . 1 1 119 119 VAL HG12 H 1 1.019 . . . . . . A 119 VAL HG12 . 25243 1 1379 . 1 1 119 119 VAL HG13 H 1 1.019 . . . . . . A 119 VAL HG13 . 25243 1 1380 . 1 1 119 119 VAL HG21 H 1 1.157 . . . . . . A 119 VAL HG21 . 25243 1 1381 . 1 1 119 119 VAL HG22 H 1 1.157 . . . . . . A 119 VAL HG22 . 25243 1 1382 . 1 1 119 119 VAL HG23 H 1 1.157 . . . . . . A 119 VAL HG23 . 25243 1 1383 . 1 1 119 119 VAL C C 13 176.968 . . . . . . A 119 VAL C . 25243 1 1384 . 1 1 119 119 VAL CA C 13 67.198 . . . . . . A 119 VAL CA . 25243 1 1385 . 1 1 119 119 VAL CB C 13 31.393 . . . . . . A 119 VAL CB . 25243 1 1386 . 1 1 119 119 VAL CG1 C 13 22.759 . . . . . . A 119 VAL CG1 . 25243 1 1387 . 1 1 119 119 VAL CG2 C 13 24.485 . . . . . . A 119 VAL CG2 . 25243 1 1388 . 1 1 119 119 VAL N N 15 119.415 . . . . . . A 119 VAL N . 25243 1 1389 . 1 1 120 120 LYS H H 1 8.163 . . . . . . A 120 LYS H . 25243 1 1390 . 1 1 120 120 LYS HA H 1 2.571 . . . . . . A 120 LYS HA . 25243 1 1391 . 1 1 120 120 LYS HB2 H 1 1.448 . . . . . . A 120 LYS HB2 . 25243 1 1392 . 1 1 120 120 LYS HB3 H 1 0.828 . . . . . . A 120 LYS HB3 . 25243 1 1393 . 1 1 120 120 LYS HG2 H 1 0.817 . . . . . . A 120 LYS HG2 . 25243 1 1394 . 1 1 120 120 LYS HG3 H 1 0.265 . . . . . . A 120 LYS HG3 . 25243 1 1395 . 1 1 120 120 LYS HD2 H 1 1.421 . . . . . . A 120 LYS HD2 . 25243 1 1396 . 1 1 120 120 LYS HD3 H 1 1.372 . . . . . . A 120 LYS HD3 . 25243 1 1397 . 1 1 120 120 LYS HE2 H 1 2.903 . . . . . . A 120 LYS HE2 . 25243 1 1398 . 1 1 120 120 LYS HE3 H 1 2.781 . . . . . . A 120 LYS HE3 . 25243 1 1399 . 1 1 120 120 LYS C C 13 176.341 . . . . . . A 120 LYS C . 25243 1 1400 . 1 1 120 120 LYS CA C 13 61.162 . . . . . . A 120 LYS CA . 25243 1 1401 . 1 1 120 120 LYS CB C 13 32.022 . . . . . . A 120 LYS CB . 25243 1 1402 . 1 1 120 120 LYS CG C 13 24.870 . . . . . . A 120 LYS CG . 25243 1 1403 . 1 1 120 120 LYS CD C 13 29.446 . . . . . . A 120 LYS CD . 25243 1 1404 . 1 1 120 120 LYS CE C 13 42.089 . . . . . . A 120 LYS CE . 25243 1 1405 . 1 1 120 120 LYS N N 15 120.276 . . . . . . A 120 LYS N . 25243 1 1406 . 1 1 121 121 GLU H H 1 7.390 . . . . . . A 121 GLU H . 25243 1 1407 . 1 1 121 121 GLU HA H 1 3.974 . . . . . . A 121 GLU HA . 25243 1 1408 . 1 1 121 121 GLU HB2 H 1 1.887 . . . . . . A 121 GLU HB2 . 25243 1 1409 . 1 1 121 121 GLU HB3 H 1 1.965 . . . . . . A 121 GLU HB3 . 25243 1 1410 . 1 1 121 121 GLU HG2 H 1 2.248 . . . . . . A 121 GLU HG2 . 25243 1 1411 . 1 1 121 121 GLU HG3 H 1 2.107 . . . . . . A 121 GLU HG3 . 25243 1 1412 . 1 1 121 121 GLU C C 13 174.609 . . . . . . A 121 GLU C . 25243 1 1413 . 1 1 121 121 GLU CA C 13 58.925 . . . . . . A 121 GLU CA . 25243 1 1414 . 1 1 121 121 GLU CB C 13 29.645 . . . . . . A 121 GLU CB . 25243 1 1415 . 1 1 121 121 GLU CG C 13 35.940 . . . . . . A 121 GLU CG . 25243 1 1416 . 1 1 121 121 GLU N N 15 115.854 . . . . . . A 121 GLU N . 25243 1 1417 . 1 1 122 122 ARG H H 1 7.410 . . . . . . A 122 ARG H . 25243 1 1418 . 1 1 122 122 ARG HA H 1 3.561 . . . . . . A 122 ARG HA . 25243 1 1419 . 1 1 122 122 ARG HB2 H 1 1.257 . . . . . . A 122 ARG HB2 . 25243 1 1420 . 1 1 122 122 ARG HB3 H 1 1.052 . . . . . . A 122 ARG HB3 . 25243 1 1421 . 1 1 122 122 ARG HG2 H 1 0.823 . . . . . . A 122 ARG HG2 . 25243 1 1422 . 1 1 122 122 ARG HD2 H 1 2.117 . . . . . . A 122 ARG HD2 . 25243 1 1423 . 1 1 122 122 ARG HD3 H 1 2.256 . . . . . . A 122 ARG HD3 . 25243 1 1424 . 1 1 122 122 ARG HE H 1 10.277 . . . . . . A 122 ARG HE . 25243 1 1425 . 1 1 122 122 ARG C C 13 174.015 . . . . . . A 122 ARG C . 25243 1 1426 . 1 1 122 122 ARG CA C 13 58.740 . . . . . . A 122 ARG CA . 25243 1 1427 . 1 1 122 122 ARG CB C 13 27.484 . . . . . . A 122 ARG CB . 25243 1 1428 . 1 1 122 122 ARG CG C 13 27.424 . . . . . . A 122 ARG CG . 25243 1 1429 . 1 1 122 122 ARG CD C 13 42.638 . . . . . . A 122 ARG CD . 25243 1 1430 . 1 1 122 122 ARG N N 15 117.863 . . . . . . A 122 ARG N . 25243 1 1431 . 1 1 122 122 ARG NE N 15 83.924 . . . . . . A 122 ARG NE . 25243 1 1432 . 1 1 123 123 VAL H H 1 8.820 . . . . . . A 123 VAL H . 25243 1 1433 . 1 1 123 123 VAL HA H 1 3.818 . . . . . . A 123 VAL HA . 25243 1 1434 . 1 1 123 123 VAL HB H 1 2.199 . . . . . . A 123 VAL HB . 25243 1 1435 . 1 1 123 123 VAL HG11 H 1 1.315 . . . . . . A 123 VAL HG11 . 25243 1 1436 . 1 1 123 123 VAL HG12 H 1 1.315 . . . . . . A 123 VAL HG12 . 25243 1 1437 . 1 1 123 123 VAL HG13 H 1 1.315 . . . . . . A 123 VAL HG13 . 25243 1 1438 . 1 1 123 123 VAL HG21 H 1 0.945 . . . . . . A 123 VAL HG21 . 25243 1 1439 . 1 1 123 123 VAL HG22 H 1 0.945 . . . . . . A 123 VAL HG22 . 25243 1 1440 . 1 1 123 123 VAL HG23 H 1 0.945 . . . . . . A 123 VAL HG23 . 25243 1 1441 . 1 1 123 123 VAL C C 13 176.341 . . . . . . A 123 VAL C . 25243 1 1442 . 1 1 123 123 VAL CA C 13 67.824 . . . . . . A 123 VAL CA . 25243 1 1443 . 1 1 123 123 VAL CB C 13 31.000 . . . . . . A 123 VAL CB . 25243 1 1444 . 1 1 123 123 VAL CG1 C 13 24.948 . . . . . . A 123 VAL CG1 . 25243 1 1445 . 1 1 123 123 VAL CG2 C 13 22.135 . . . . . . A 123 VAL CG2 . 25243 1 1446 . 1 1 123 123 VAL N N 15 121.930 . . . . . . A 123 VAL N . 25243 1 1447 . 1 1 124 124 GLU H H 1 8.626 . . . . . . A 124 GLU H . 25243 1 1448 . 1 1 124 124 GLU HA H 1 3.761 . . . . . . A 124 GLU HA . 25243 1 1449 . 1 1 124 124 GLU HB2 H 1 2.158 . . . . . . A 124 GLU HB2 . 25243 1 1450 . 1 1 124 124 GLU HB3 H 1 1.892 . . . . . . A 124 GLU HB3 . 25243 1 1451 . 1 1 124 124 GLU HG2 H 1 2.336 . . . . . . A 124 GLU HG2 . 25243 1 1452 . 1 1 124 124 GLU HG3 H 1 2.130 . . . . . . A 124 GLU HG3 . 25243 1 1453 . 1 1 124 124 GLU C C 13 173.956 . . . . . . A 124 GLU C . 25243 1 1454 . 1 1 124 124 GLU CA C 13 60.690 . . . . . . A 124 GLU CA . 25243 1 1455 . 1 1 124 124 GLU CB C 13 29.415 . . . . . . A 124 GLU CB . 25243 1 1456 . 1 1 124 124 GLU CG C 13 37.593 . . . . . . A 124 GLU CG . 25243 1 1457 . 1 1 124 124 GLU N N 15 120.522 . . . . . . A 124 GLU N . 25243 1 1458 . 1 1 125 125 ASN H H 1 7.757 . . . . . . A 125 ASN H . 25243 1 1459 . 1 1 125 125 ASN HA H 1 4.408 . . . . . . A 125 ASN HA . 25243 1 1460 . 1 1 125 125 ASN HB2 H 1 2.788 . . . . . . A 125 ASN HB2 . 25243 1 1461 . 1 1 125 125 ASN HB3 H 1 2.702 . . . . . . A 125 ASN HB3 . 25243 1 1462 . 1 1 125 125 ASN HD21 H 1 6.999 . . . . . . A 125 ASN HD21 . 25243 1 1463 . 1 1 125 125 ASN HD22 H 1 7.654 . . . . . . A 125 ASN HD22 . 25243 1 1464 . 1 1 125 125 ASN C C 13 176.754 . . . . . . A 125 ASN C . 25243 1 1465 . 1 1 125 125 ASN CA C 13 56.158 . . . . . . A 125 ASN CA . 25243 1 1466 . 1 1 125 125 ASN CB C 13 38.615 . . . . . . A 125 ASN CB . 25243 1 1467 . 1 1 125 125 ASN N N 15 117.729 . . . . . . A 125 ASN N . 25243 1 1468 . 1 1 125 125 ASN ND2 N 15 112.809 . . . . . . A 125 ASN ND2 . 25243 1 1469 . 1 1 126 126 LEU H H 1 8.169 . . . . . . A 126 LEU H . 25243 1 1470 . 1 1 126 126 LEU HA H 1 4.250 . . . . . . A 126 LEU HA . 25243 1 1471 . 1 1 126 126 LEU HB2 H 1 2.434 . . . . . . A 126 LEU HB2 . 25243 1 1472 . 1 1 126 126 LEU HB3 H 1 2.047 . . . . . . A 126 LEU HB3 . 25243 1 1473 . 1 1 126 126 LEU HG H 1 1.047 . . . . . . A 126 LEU HG . 25243 1 1474 . 1 1 126 126 LEU HD11 H 1 1.041 . . . . . . A 126 LEU HD11 . 25243 1 1475 . 1 1 126 126 LEU HD12 H 1 1.041 . . . . . . A 126 LEU HD12 . 25243 1 1476 . 1 1 126 126 LEU HD13 H 1 1.041 . . . . . . A 126 LEU HD13 . 25243 1 1477 . 1 1 126 126 LEU HD21 H 1 1.570 . . . . . . A 126 LEU HD21 . 25243 1 1478 . 1 1 126 126 LEU HD22 H 1 1.570 . . . . . . A 126 LEU HD22 . 25243 1 1479 . 1 1 126 126 LEU HD23 H 1 1.570 . . . . . . A 126 LEU HD23 . 25243 1 1480 . 1 1 126 126 LEU C C 13 175.227 . . . . . . A 126 LEU C . 25243 1 1481 . 1 1 126 126 LEU CA C 13 58.211 . . . . . . A 126 LEU CA . 25243 1 1482 . 1 1 126 126 LEU CB C 13 42.350 . . . . . . A 126 LEU CB . 25243 1 1483 . 1 1 126 126 LEU CG C 13 26.728 . . . . . . A 126 LEU CG . 25243 1 1484 . 1 1 126 126 LEU CD1 C 13 23.031 . . . . . . A 126 LEU CD1 . 25243 1 1485 . 1 1 126 126 LEU CD2 C 13 27.385 . . . . . . A 126 LEU CD2 . 25243 1 1486 . 1 1 126 126 LEU N N 15 121.961 . . . . . . A 126 LEU N . 25243 1 1487 . 1 1 127 127 ILE H H 1 8.565 . . . . . . A 127 ILE H . 25243 1 1488 . 1 1 127 127 ILE HA H 1 3.464 . . . . . . A 127 ILE HA . 25243 1 1489 . 1 1 127 127 ILE HB H 1 1.918 . . . . . . A 127 ILE HB . 25243 1 1490 . 1 1 127 127 ILE HG12 H 1 1.829 . . . . . . A 127 ILE HG12 . 25243 1 1491 . 1 1 127 127 ILE HG13 H 1 1.109 . . . . . . A 127 ILE HG13 . 25243 1 1492 . 1 1 127 127 ILE HG21 H 1 0.773 . . . . . . A 127 ILE HG21 . 25243 1 1493 . 1 1 127 127 ILE HG22 H 1 0.773 . . . . . . A 127 ILE HG22 . 25243 1 1494 . 1 1 127 127 ILE HG23 H 1 0.773 . . . . . . A 127 ILE HG23 . 25243 1 1495 . 1 1 127 127 ILE HD11 H 1 0.880 . . . . . . A 127 ILE HD11 . 25243 1 1496 . 1 1 127 127 ILE HD12 H 1 0.880 . . . . . . A 127 ILE HD12 . 25243 1 1497 . 1 1 127 127 ILE HD13 H 1 0.880 . . . . . . A 127 ILE HD13 . 25243 1 1498 . 1 1 127 127 ILE C C 13 175.457 . . . . . . A 127 ILE C . 25243 1 1499 . 1 1 127 127 ILE CA C 13 65.185 . . . . . . A 127 ILE CA . 25243 1 1500 . 1 1 127 127 ILE CB C 13 37.400 . . . . . . A 127 ILE CB . 25243 1 1501 . 1 1 127 127 ILE CG1 C 13 30.357 . . . . . . A 127 ILE CG1 . 25243 1 1502 . 1 1 127 127 ILE CG2 C 13 14.139 . . . . . . A 127 ILE CG2 . 25243 1 1503 . 1 1 127 127 ILE CD1 C 13 17.482 . . . . . . A 127 ILE CD1 . 25243 1 1504 . 1 1 127 127 ILE N N 15 117.483 . . . . . . A 127 ILE N . 25243 1 1505 . 1 1 128 128 ALA H H 1 7.544 . . . . . . A 128 ALA H . 25243 1 1506 . 1 1 128 128 ALA HA H 1 4.185 . . . . . . A 128 ALA HA . 25243 1 1507 . 1 1 128 128 ALA HB1 H 1 1.523 . . . . . . A 128 ALA HB1 . 25243 1 1508 . 1 1 128 128 ALA HB2 H 1 1.523 . . . . . . A 128 ALA HB2 . 25243 1 1509 . 1 1 128 128 ALA HB3 H 1 1.523 . . . . . . A 128 ALA HB3 . 25243 1 1510 . 1 1 128 128 ALA C C 13 174.542 . . . . . . A 128 ALA C . 25243 1 1511 . 1 1 128 128 ALA CA C 13 54.610 . . . . . . A 128 ALA CA . 25243 1 1512 . 1 1 128 128 ALA CB C 13 18.150 . . . . . . A 128 ALA CB . 25243 1 1513 . 1 1 128 128 ALA N N 15 120.656 . . . . . . A 128 ALA N . 25243 1 1514 . 1 1 129 129 LYS H H 1 7.665 . . . . . . A 129 LYS H . 25243 1 1515 . 1 1 129 129 LYS HA H 1 4.355 . . . . . . A 129 LYS HA . 25243 1 1516 . 1 1 129 129 LYS HB2 H 1 2.061 . . . . . . A 129 LYS HB2 . 25243 1 1517 . 1 1 129 129 LYS HB3 H 1 2.013 . . . . . . A 129 LYS HB3 . 25243 1 1518 . 1 1 129 129 LYS HG2 H 1 1.585 . . . . . . A 129 LYS HG2 . 25243 1 1519 . 1 1 129 129 LYS HG3 H 1 1.585 . . . . . . A 129 LYS HG3 . 25243 1 1520 . 1 1 129 129 LYS HD2 H 1 1.709 . . . . . . A 129 LYS HD2 . 25243 1 1521 . 1 1 129 129 LYS HD3 H 1 1.709 . . . . . . A 129 LYS HD3 . 25243 1 1522 . 1 1 129 129 LYS HE2 H 1 2.925 . . . . . . A 129 LYS HE2 . 25243 1 1523 . 1 1 129 129 LYS HE3 H 1 2.984 . . . . . . A 129 LYS HE3 . 25243 1 1524 . 1 1 129 129 LYS C C 13 175.355 . . . . . . A 129 LYS C . 25243 1 1525 . 1 1 129 129 LYS CA C 13 57.951 . . . . . . A 129 LYS CA . 25243 1 1526 . 1 1 129 129 LYS CB C 13 33.317 . . . . . . A 129 LYS CB . 25243 1 1527 . 1 1 129 129 LYS CG C 13 24.911 . . . . . . A 129 LYS CG . 25243 1 1528 . 1 1 129 129 LYS CD C 13 29.606 . . . . . . A 129 LYS CD . 25243 1 1529 . 1 1 129 129 LYS CE C 13 42.059 . . . . . . A 129 LYS CE . 25243 1 1530 . 1 1 129 129 LYS N N 15 116.225 . . . . . . A 129 LYS N . 25243 1 1531 . 1 1 130 130 ILE H H 1 7.590 . . . . . . A 130 ILE H . 25243 1 1532 . 1 1 130 130 ILE HA H 1 4.545 . . . . . . A 130 ILE HA . 25243 1 1533 . 1 1 130 130 ILE HB H 1 2.096 . . . . . . A 130 ILE HB . 25243 1 1534 . 1 1 130 130 ILE HG12 H 1 1.503 . . . . . . A 130 ILE HG12 . 25243 1 1535 . 1 1 130 130 ILE HG13 H 1 1.328 . . . . . . A 130 ILE HG13 . 25243 1 1536 . 1 1 130 130 ILE HG21 H 1 0.875 . . . . . . A 130 ILE HG21 . 25243 1 1537 . 1 1 130 130 ILE HG22 H 1 0.875 . . . . . . A 130 ILE HG22 . 25243 1 1538 . 1 1 130 130 ILE HG23 H 1 0.875 . . . . . . A 130 ILE HG23 . 25243 1 1539 . 1 1 130 130 ILE HD11 H 1 0.685 . . . . . . A 130 ILE HD11 . 25243 1 1540 . 1 1 130 130 ILE HD12 H 1 0.685 . . . . . . A 130 ILE HD12 . 25243 1 1541 . 1 1 130 130 ILE HD13 H 1 0.685 . . . . . . A 130 ILE HD13 . 25243 1 1542 . 1 1 130 130 ILE C C 13 178.813 . . . . . . A 130 ILE C . 25243 1 1543 . 1 1 130 130 ILE CA C 13 61.230 . . . . . . A 130 ILE CA . 25243 1 1544 . 1 1 130 130 ILE CB C 13 38.780 . . . . . . A 130 ILE CB . 25243 1 1545 . 1 1 130 130 ILE CG1 C 13 25.288 . . . . . . A 130 ILE CG1 . 25243 1 1546 . 1 1 130 130 ILE CG2 C 13 17.246 . . . . . . A 130 ILE CG2 . 25243 1 1547 . 1 1 130 130 ILE CD1 C 13 14.653 . . . . . . A 130 ILE CD1 . 25243 1 1548 . 1 1 130 130 ILE N N 15 112.428 . . . . . . A 130 ILE N . 25243 1 1549 . 1 1 131 131 SER H H 1 7.558 . . . . . . A 131 SER H . 25243 1 1550 . 1 1 131 131 SER HA H 1 4.328 . . . . . . A 131 SER HA . 25243 1 1551 . 1 1 131 131 SER HB2 H 1 3.928 . . . . . . A 131 SER HB2 . 25243 1 1552 . 1 1 131 131 SER HB3 H 1 3.811 . . . . . . A 131 SER HB3 . 25243 1 1553 . 1 1 131 131 SER CA C 13 60.780 . . . . . . A 131 SER CA . 25243 1 1554 . 1 1 131 131 SER CB C 13 65.470 . . . . . . A 131 SER CB . 25243 1 1555 . 1 1 131 131 SER N N 15 123.805 . . . . . . A 131 SER N . 25243 1 stop_ save_