data_34304 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34304 _Entry.Title ; A computationally designed dRP lyase domain reconstructed from two heterologous fragments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-24 _Entry.Accession_date 2018-07-24 _Entry.Last_release_date 2018-12-03 _Entry.Original_release_date 2018-12-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34304 stop_ 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 M. ElGamacy M. . . . 34304 2 M. Coles M. . . . 34304 3 A. Lupas A. N. . . 34304 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Protein design' . 34304 'UNKNOWN FUNCTION' . 34304 'dRP lyase domain' . 34304 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34304 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 257 34304 '15N chemical shifts' 61 34304 '1H chemical shifts' 430 34304 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 . . 2019-07-31 2018-07-24 update BMRB 'update entry citation' 34304 1 . . 2018-12-05 2018-07-24 original author 'original release' 34304 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6H5H . 34304 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34304 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.jsb.2018.10.010 _Citation.PubMed_ID 30558718 _Citation.Full_citation . _Citation.Title ; Asymmetric protein design from conserved supersecondary structures ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 204 _Citation.Journal_issue 3 _Citation.Journal_ASTM JSBIEM _Citation.Journal_ISSN 1095-8657 _Citation.Journal_CSD 0803 _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 380 _Citation.Page_last 387 _Citation.Year 2018 _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 M. ElGamacy M. . . . 34304 1 2 M. Coles M. . . . 34304 1 3 A. Lupas A. N. . . 34304 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34304 _Assembly.ID 1 _Assembly.Name polb4 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34304 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34304 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKHHHHHHPMSDYDIPTTEN LYFQGAMGGQETLNGALVNM LKEEGNKALSVGNIDDALQY YAAAITLDKYPHKIKSGAEA KKLPGVGTKIAEKIDEFLAT GKLRKLEKIRQDDTSSSINF L ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13443.259 _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 -29 MET . 34304 1 2 -28 LYS . 34304 1 3 -27 HIS . 34304 1 4 -26 HIS . 34304 1 5 -25 HIS . 34304 1 6 -24 HIS . 34304 1 7 -23 HIS . 34304 1 8 -22 HIS . 34304 1 9 -21 PRO . 34304 1 10 -20 MET . 34304 1 11 -19 SER . 34304 1 12 -18 ASP . 34304 1 13 -17 TYR . 34304 1 14 -16 ASP . 34304 1 15 -15 ILE . 34304 1 16 -14 PRO . 34304 1 17 -13 THR . 34304 1 18 -12 THR . 34304 1 19 -11 GLU . 34304 1 20 -10 ASN . 34304 1 21 -9 LEU . 34304 1 22 -8 TYR . 34304 1 23 -7 PHE . 34304 1 24 -6 GLN . 34304 1 25 -5 GLY . 34304 1 26 -4 ALA . 34304 1 27 -3 MET . 34304 1 28 -2 GLY . 34304 1 29 -1 GLY . 34304 1 30 0 GLN . 34304 1 31 1 GLU . 34304 1 32 2 THR . 34304 1 33 3 LEU . 34304 1 34 4 ASN . 34304 1 35 5 GLY . 34304 1 36 6 ALA . 34304 1 37 7 LEU . 34304 1 38 8 VAL . 34304 1 39 9 ASN . 34304 1 40 10 MET . 34304 1 41 11 LEU . 34304 1 42 12 LYS . 34304 1 43 13 GLU . 34304 1 44 14 GLU . 34304 1 45 15 GLY . 34304 1 46 16 ASN . 34304 1 47 17 LYS . 34304 1 48 18 ALA . 34304 1 49 19 LEU . 34304 1 50 20 SER . 34304 1 51 21 VAL . 34304 1 52 22 GLY . 34304 1 53 23 ASN . 34304 1 54 24 ILE . 34304 1 55 25 ASP . 34304 1 56 26 ASP . 34304 1 57 27 ALA . 34304 1 58 28 LEU . 34304 1 59 29 GLN . 34304 1 60 30 TYR . 34304 1 61 31 TYR . 34304 1 62 32 ALA . 34304 1 63 33 ALA . 34304 1 64 34 ALA . 34304 1 65 35 ILE . 34304 1 66 36 THR . 34304 1 67 37 LEU . 34304 1 68 38 ASP . 34304 1 69 39 LYS . 34304 1 70 40 TYR . 34304 1 71 41 PRO . 34304 1 72 42 HIS . 34304 1 73 43 LYS . 34304 1 74 44 ILE . 34304 1 75 45 LYS . 34304 1 76 46 SER . 34304 1 77 47 GLY . 34304 1 78 48 ALA . 34304 1 79 49 GLU . 34304 1 80 50 ALA . 34304 1 81 51 LYS . 34304 1 82 52 LYS . 34304 1 83 53 LEU . 34304 1 84 54 PRO . 34304 1 85 55 GLY . 34304 1 86 56 VAL . 34304 1 87 57 GLY . 34304 1 88 58 THR . 34304 1 89 59 LYS . 34304 1 90 60 ILE . 34304 1 91 61 ALA . 34304 1 92 62 GLU . 34304 1 93 63 LYS . 34304 1 94 64 ILE . 34304 1 95 65 ASP . 34304 1 96 66 GLU . 34304 1 97 67 PHE . 34304 1 98 68 LEU . 34304 1 99 69 ALA . 34304 1 100 70 THR . 34304 1 101 71 GLY . 34304 1 102 72 LYS . 34304 1 103 73 LEU . 34304 1 104 74 ARG . 34304 1 105 75 LYS . 34304 1 106 76 LEU . 34304 1 107 77 GLU . 34304 1 108 78 LYS . 34304 1 109 79 ILE . 34304 1 110 80 ARG . 34304 1 111 81 GLN . 34304 1 112 82 ASP . 34304 1 113 83 ASP . 34304 1 114 84 THR . 34304 1 115 85 SER . 34304 1 116 86 SER . 34304 1 117 87 SER . 34304 1 118 88 ILE . 34304 1 119 89 ASN . 34304 1 120 90 PHE . 34304 1 121 91 LEU . 34304 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 34304 1 . LYS 2 2 34304 1 . HIS 3 3 34304 1 . HIS 4 4 34304 1 . HIS 5 5 34304 1 . HIS 6 6 34304 1 . HIS 7 7 34304 1 . HIS 8 8 34304 1 . PRO 9 9 34304 1 . MET 10 10 34304 1 . SER 11 11 34304 1 . ASP 12 12 34304 1 . TYR 13 13 34304 1 . ASP 14 14 34304 1 . ILE 15 15 34304 1 . PRO 16 16 34304 1 . THR 17 17 34304 1 . THR 18 18 34304 1 . GLU 19 19 34304 1 . ASN 20 20 34304 1 . LEU 21 21 34304 1 . TYR 22 22 34304 1 . PHE 23 23 34304 1 . GLN 24 24 34304 1 . GLY 25 25 34304 1 . ALA 26 26 34304 1 . MET 27 27 34304 1 . GLY 28 28 34304 1 . GLY 29 29 34304 1 . GLN 30 30 34304 1 . GLU 31 31 34304 1 . THR 32 32 34304 1 . LEU 33 33 34304 1 . ASN 34 34 34304 1 . GLY 35 35 34304 1 . ALA 36 36 34304 1 . LEU 37 37 34304 1 . VAL 38 38 34304 1 . ASN 39 39 34304 1 . MET 40 40 34304 1 . LEU 41 41 34304 1 . LYS 42 42 34304 1 . GLU 43 43 34304 1 . GLU 44 44 34304 1 . GLY 45 45 34304 1 . ASN 46 46 34304 1 . LYS 47 47 34304 1 . ALA 48 48 34304 1 . LEU 49 49 34304 1 . SER 50 50 34304 1 . VAL 51 51 34304 1 . GLY 52 52 34304 1 . ASN 53 53 34304 1 . ILE 54 54 34304 1 . ASP 55 55 34304 1 . ASP 56 56 34304 1 . ALA 57 57 34304 1 . LEU 58 58 34304 1 . GLN 59 59 34304 1 . TYR 60 60 34304 1 . TYR 61 61 34304 1 . ALA 62 62 34304 1 . ALA 63 63 34304 1 . ALA 64 64 34304 1 . ILE 65 65 34304 1 . THR 66 66 34304 1 . LEU 67 67 34304 1 . ASP 68 68 34304 1 . LYS 69 69 34304 1 . TYR 70 70 34304 1 . PRO 71 71 34304 1 . HIS 72 72 34304 1 . LYS 73 73 34304 1 . ILE 74 74 34304 1 . LYS 75 75 34304 1 . SER 76 76 34304 1 . GLY 77 77 34304 1 . ALA 78 78 34304 1 . GLU 79 79 34304 1 . ALA 80 80 34304 1 . LYS 81 81 34304 1 . LYS 82 82 34304 1 . LEU 83 83 34304 1 . PRO 84 84 34304 1 . GLY 85 85 34304 1 . VAL 86 86 34304 1 . GLY 87 87 34304 1 . THR 88 88 34304 1 . LYS 89 89 34304 1 . ILE 90 90 34304 1 . ALA 91 91 34304 1 . GLU 92 92 34304 1 . LYS 93 93 34304 1 . ILE 94 94 34304 1 . ASP 95 95 34304 1 . GLU 96 96 34304 1 . PHE 97 97 34304 1 . LEU 98 98 34304 1 . ALA 99 99 34304 1 . THR 100 100 34304 1 . GLY 101 101 34304 1 . LYS 102 102 34304 1 . LEU 103 103 34304 1 . ARG 104 104 34304 1 . LYS 105 105 34304 1 . LEU 106 106 34304 1 . GLU 107 107 34304 1 . LYS 108 108 34304 1 . ILE 109 109 34304 1 . ARG 110 110 34304 1 . GLN 111 111 34304 1 . ASP 112 112 34304 1 . ASP 113 113 34304 1 . THR 114 114 34304 1 . SER 115 115 34304 1 . SER 116 116 34304 1 . SER 117 117 34304 1 . ILE 118 118 34304 1 . ASN 119 119 34304 1 . PHE 120 120 34304 1 . LEU 121 121 34304 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 34304 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 32630 . . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 34304 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 34304 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34304 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34304 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-15N] polb4, 150 mM potassium phosphate, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 polb4 [U-15N] 1 $assembly 1 $entity_1 . . 500 . . uM . . . . 34304 1 2 'potassium phosphate' 'natural abundance' . . . . . . 150 . . mM . . . . 34304 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34304 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-13C; U-15N] polb4, 150 mM potassium phosphate, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 polb4 '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 500 . . uM . . . . 34304 2 2 'potassium phosphate' 'natural abundance' . . . . . . 150 . . mM . . . . 34304 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 34304 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 34304 1 pH 7.1 . pH 34304 1 pressure 1 . atm 34304 1 temperature 313 . K 34304 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34304 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34304 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34304 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34304 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34304 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34304 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34304 _Software.ID 3 _Software.Type . _Software.Name X-PLOR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 34304 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34304 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34304 _Software.ID 4 _Software.Type . _Software.Name Shine _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Riss, M. and Coles, M.' . . 34304 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34304 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34304 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34304 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 34304 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 34304 1 2 NMR_spectrometer_2 Bruker AvanceIII . 800 . . . 34304 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 34304 _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 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34304 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34304 1 3 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34304 1 4 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34304 1 5 '3D 15N-HSQC NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34304 1 6 '3D 13C-HSQC NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34304 1 7 '3D CNH-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34304 1 8 '3D NNH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34304 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34304 1 10 '2D 15N-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34304 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34304 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.25144953 . . . . . 34304 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34304 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34304 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34304 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 34304 1 2 '3D HNCA' . . . 34304 1 3 '3D C(CO)NH' . . . 34304 1 4 '3D H(CCO)NH' . . . 34304 1 5 '3D 15N-HSQC NOESY' . . . 34304 1 6 '3D 13C-HSQC NOESY' . . . 34304 1 7 '3D CNH-NOESY' . . . 34304 1 8 '3D NNH-NOESY' . . . 34304 1 9 '3D CCH-TOCSY' . . . 34304 1 10 '2D 15N-filtered NOESY' . . . 34304 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 31 31 GLU H H 1 8.60 0.02 . 1 . . . . A 1 GLU H . 34304 1 2 . 1 1 31 31 GLU HA H 1 4.49 0.02 . 1 . . . . A 1 GLU HA . 34304 1 3 . 1 1 31 31 GLU HB2 H 1 2.10 0.02 . 1 . . . . A 1 GLU HB2 . 34304 1 4 . 1 1 31 31 GLU HB3 H 1 2.10 0.02 . 1 . . . . A 1 GLU HB3 . 34304 1 5 . 1 1 31 31 GLU HG2 H 1 2.38 0.02 . 1 . . . . A 1 GLU HG2 . 34304 1 6 . 1 1 31 31 GLU HG3 H 1 2.38 0.02 . 1 . . . . A 1 GLU HG3 . 34304 1 7 . 1 1 31 31 GLU C C 13 176.67 0.05 . 1 . . . . A 1 GLU C . 34304 1 8 . 1 1 31 31 GLU CA C 13 56.74 0.05 . 1 . . . . A 1 GLU CA . 34304 1 9 . 1 1 31 31 GLU CB C 13 30.37 0.05 . 1 . . . . A 1 GLU CB . 34304 1 10 . 1 1 31 31 GLU CG C 13 36.24 0.05 . 1 . . . . A 1 GLU CG . 34304 1 11 . 1 1 31 31 GLU N N 15 121.97 0.05 . 1 . . . . A 1 GLU N . 34304 1 12 . 1 1 32 32 THR H H 1 8.18 0.02 . 1 . . . . A 2 THR H . 34304 1 13 . 1 1 32 32 THR HA H 1 4.61 0.02 . 1 . . . . A 2 THR HA . 34304 1 14 . 1 1 32 32 THR HB H 1 4.61 0.02 . 1 . . . . A 2 THR HB . 34304 1 15 . 1 1 32 32 THR HG21 H 1 1.33 0.02 . 1 . . . . A 2 THR HG21 . 34304 1 16 . 1 1 32 32 THR HG22 H 1 1.33 0.02 . 1 . . . . A 2 THR HG22 . 34304 1 17 . 1 1 32 32 THR HG23 H 1 1.33 0.02 . 1 . . . . A 2 THR HG23 . 34304 1 18 . 1 1 32 32 THR C C 13 175.92 0.05 . 1 . . . . A 2 THR C . 34304 1 19 . 1 1 32 32 THR CA C 13 60.96 0.05 . 1 . . . . A 2 THR CA . 34304 1 20 . 1 1 32 32 THR CB C 13 70.14 0.05 . 1 . . . . A 2 THR CB . 34304 1 21 . 1 1 32 32 THR CG2 C 13 21.73 0.05 . 1 . . . . A 2 THR CG2 . 34304 1 22 . 1 1 32 32 THR N N 15 114.21 0.05 . 1 . . . . A 2 THR N . 34304 1 23 . 1 1 33 33 LEU H H 1 8.71 0.02 . 1 . . . . A 3 LEU H . 34304 1 24 . 1 1 33 33 LEU HA H 1 4.37 0.02 . 1 . . . . A 3 LEU HA . 34304 1 25 . 1 1 33 33 LEU HB2 H 1 1.77 0.02 . 1 . . . . A 3 LEU HB2 . 34304 1 26 . 1 1 33 33 LEU HB3 H 1 1.52 0.02 . 1 . . . . A 3 LEU HB3 . 34304 1 27 . 1 1 33 33 LEU HG H 1 1.78 0.02 . 1 . . . . A 3 LEU HG . 34304 1 28 . 1 1 33 33 LEU HD11 H 1 0.92 0.02 . 1 . . . . A 3 LEU HD11 . 34304 1 29 . 1 1 33 33 LEU HD12 H 1 0.92 0.02 . 1 . . . . A 3 LEU HD12 . 34304 1 30 . 1 1 33 33 LEU HD13 H 1 0.92 0.02 . 1 . . . . A 3 LEU HD13 . 34304 1 31 . 1 1 33 33 LEU HD21 H 1 0.96 0.02 . 1 . . . . A 3 LEU HD21 . 34304 1 32 . 1 1 33 33 LEU HD22 H 1 0.96 0.02 . 1 . . . . A 3 LEU HD22 . 34304 1 33 . 1 1 33 33 LEU HD23 H 1 0.96 0.02 . 1 . . . . A 3 LEU HD23 . 34304 1 34 . 1 1 33 33 LEU C C 13 177.72 0.05 . 1 . . . . A 3 LEU C . 34304 1 35 . 1 1 33 33 LEU CA C 13 57.54 0.05 . 1 . . . . A 3 LEU CA . 34304 1 36 . 1 1 33 33 LEU CB C 13 42.90 0.05 . 1 . . . . A 3 LEU CB . 34304 1 37 . 1 1 33 33 LEU CG C 13 26.98 0.05 . 1 . . . . A 3 LEU CG . 34304 1 38 . 1 1 33 33 LEU CD1 C 13 25.20 0.05 . 1 . . . . A 3 LEU CD1 . 34304 1 39 . 1 1 33 33 LEU CD2 C 13 23.67 0.05 . 1 . . . . A 3 LEU CD2 . 34304 1 40 . 1 1 33 33 LEU N N 15 123.99 0.05 . 1 . . . . A 3 LEU N . 34304 1 41 . 1 1 34 34 ASN H H 1 8.67 0.02 . 1 . . . . A 4 ASN H . 34304 1 42 . 1 1 34 34 ASN HA H 1 5.45 0.02 . 1 . . . . A 4 ASN HA . 34304 1 43 . 1 1 34 34 ASN HB2 H 1 2.77 0.02 . 1 . . . . A 4 ASN HB2 . 34304 1 44 . 1 1 34 34 ASN HB3 H 1 3.04 0.02 . 1 . . . . A 4 ASN HB3 . 34304 1 45 . 1 1 34 34 ASN HD21 H 1 7.99 0.02 . 1 . . . . A 4 ASN HD21 . 34304 1 46 . 1 1 34 34 ASN HD22 H 1 8.07 0.02 . 1 . . . . A 4 ASN HD22 . 34304 1 47 . 1 1 34 34 ASN C C 13 176.00 0.05 . 1 . . . . A 4 ASN C . 34304 1 48 . 1 1 34 34 ASN CA C 13 53.02 0.05 . 1 . . . . A 4 ASN CA . 34304 1 49 . 1 1 34 34 ASN CB C 13 39.97 0.05 . 1 . . . . A 4 ASN CB . 34304 1 50 . 1 1 34 34 ASN N N 15 114.32 0.05 . 1 . . . . A 4 ASN N . 34304 1 51 . 1 1 34 34 ASN ND2 N 15 116.54 0.05 . 1 . . . . A 4 ASN ND2 . 34304 1 52 . 1 1 35 35 GLY H H 1 8.04 0.02 . 1 . . . . A 5 GLY H . 34304 1 53 . 1 1 35 35 GLY HA2 H 1 3.76 0.02 . 1 . . . . A 5 GLY HA2 . 34304 1 54 . 1 1 35 35 GLY HA3 H 1 4.11 0.02 . 1 . . . . A 5 GLY HA3 . 34304 1 55 . 1 1 35 35 GLY CA C 13 48.63 0.05 . 1 . . . . A 5 GLY CA . 34304 1 56 . 1 1 35 35 GLY N N 15 108.72 0.05 . 1 . . . . A 5 GLY N . 34304 1 57 . 1 1 36 36 ALA HA H 1 4.37 0.02 . 1 . . . . A 6 ALA HA . 34304 1 58 . 1 1 36 36 ALA HB1 H 1 1.71 0.02 . 1 . . . . A 6 ALA HB1 . 34304 1 59 . 1 1 36 36 ALA HB2 H 1 1.71 0.02 . 1 . . . . A 6 ALA HB2 . 34304 1 60 . 1 1 36 36 ALA HB3 H 1 1.71 0.02 . 1 . . . . A 6 ALA HB3 . 34304 1 61 . 1 1 36 36 ALA C C 13 180.78 0.05 . 1 . . . . A 6 ALA C . 34304 1 62 . 1 1 36 36 ALA CA C 13 55.47 0.05 . 1 . . . . A 6 ALA CA . 34304 1 63 . 1 1 36 36 ALA CB C 13 17.96 0.05 . 1 . . . . A 6 ALA CB . 34304 1 64 . 1 1 37 37 LEU H H 1 7.75 0.02 . 1 . . . . A 7 LEU H . 34304 1 65 . 1 1 37 37 LEU HA H 1 3.87 0.02 . 1 . . . . A 7 LEU HA . 34304 1 66 . 1 1 37 37 LEU HB2 H 1 2.04 0.02 . 1 . . . . A 7 LEU HB2 . 34304 1 67 . 1 1 37 37 LEU HB3 H 1 1.45 0.02 . 1 . . . . A 7 LEU HB3 . 34304 1 68 . 1 1 37 37 LEU HG H 1 1.78 0.02 . 1 . . . . A 7 LEU HG . 34304 1 69 . 1 1 37 37 LEU HD11 H 1 1.06 0.02 . 1 . . . . A 7 LEU HD11 . 34304 1 70 . 1 1 37 37 LEU HD12 H 1 1.06 0.02 . 1 . . . . A 7 LEU HD12 . 34304 1 71 . 1 1 37 37 LEU HD13 H 1 1.06 0.02 . 1 . . . . A 7 LEU HD13 . 34304 1 72 . 1 1 37 37 LEU HD21 H 1 1.01 0.02 . 1 . . . . A 7 LEU HD21 . 34304 1 73 . 1 1 37 37 LEU HD22 H 1 1.01 0.02 . 1 . . . . A 7 LEU HD22 . 34304 1 74 . 1 1 37 37 LEU HD23 H 1 1.01 0.02 . 1 . . . . A 7 LEU HD23 . 34304 1 75 . 1 1 37 37 LEU C C 13 178.39 0.05 . 1 . . . . A 7 LEU C . 34304 1 76 . 1 1 37 37 LEU CA C 13 57.38 0.05 . 1 . . . . A 7 LEU CA . 34304 1 77 . 1 1 37 37 LEU CB C 13 42.87 0.05 . 1 . . . . A 7 LEU CB . 34304 1 78 . 1 1 37 37 LEU CG C 13 26.81 0.05 . 1 . . . . A 7 LEU CG . 34304 1 79 . 1 1 37 37 LEU CD1 C 13 26.53 0.05 . 1 . . . . A 7 LEU CD1 . 34304 1 80 . 1 1 37 37 LEU CD2 C 13 25.31 0.05 . 1 . . . . A 7 LEU CD2 . 34304 1 81 . 1 1 37 37 LEU N N 15 118.06 0.05 . 1 . . . . A 7 LEU N . 34304 1 82 . 1 1 38 38 VAL H H 1 8.40 0.02 . 1 . . . . A 8 VAL H . 34304 1 83 . 1 1 38 38 VAL HA H 1 3.46 0.02 . 1 . . . . A 8 VAL HA . 34304 1 84 . 1 1 38 38 VAL HB H 1 2.24 0.02 . 1 . . . . A 8 VAL HB . 34304 1 85 . 1 1 38 38 VAL HG11 H 1 1.02 0.02 . 1 . . . . A 8 VAL HG11 . 34304 1 86 . 1 1 38 38 VAL HG12 H 1 1.02 0.02 . 1 . . . . A 8 VAL HG12 . 34304 1 87 . 1 1 38 38 VAL HG13 H 1 1.02 0.02 . 1 . . . . A 8 VAL HG13 . 34304 1 88 . 1 1 38 38 VAL HG21 H 1 1.21 0.02 . 1 . . . . A 8 VAL HG21 . 34304 1 89 . 1 1 38 38 VAL HG22 H 1 1.21 0.02 . 1 . . . . A 8 VAL HG22 . 34304 1 90 . 1 1 38 38 VAL HG23 H 1 1.21 0.02 . 1 . . . . A 8 VAL HG23 . 34304 1 91 . 1 1 38 38 VAL C C 13 177.63 0.05 . 1 . . . . A 8 VAL C . 34304 1 92 . 1 1 38 38 VAL CA C 13 67.57 0.05 . 1 . . . . A 8 VAL CA . 34304 1 93 . 1 1 38 38 VAL CB C 13 32.10 0.05 . 1 . . . . A 8 VAL CB . 34304 1 94 . 1 1 38 38 VAL CG1 C 13 20.92 0.05 . 1 . . . . A 8 VAL CG1 . 34304 1 95 . 1 1 38 38 VAL CG2 C 13 22.89 0.05 . 1 . . . . A 8 VAL CG2 . 34304 1 96 . 1 1 38 38 VAL N N 15 120.17 0.05 . 1 . . . . A 8 VAL N . 34304 1 97 . 1 1 39 39 ASN H H 1 8.27 0.02 . 1 . . . . A 9 ASN H . 34304 1 98 . 1 1 39 39 ASN HA H 1 4.45 0.02 . 1 . . . . A 9 ASN HA . 34304 1 99 . 1 1 39 39 ASN HB2 H 1 2.91 0.02 . 1 . . . . A 9 ASN HB2 . 34304 1 100 . 1 1 39 39 ASN HB3 H 1 2.88 0.02 . 1 . . . . A 9 ASN HB3 . 34304 1 101 . 1 1 39 39 ASN HD21 H 1 7.60 0.02 . 1 . . . . A 9 ASN HD21 . 34304 1 102 . 1 1 39 39 ASN HD22 H 1 6.96 0.02 . 1 . . . . A 9 ASN HD22 . 34304 1 103 . 1 1 39 39 ASN C C 13 177.57 0.05 . 1 . . . . A 9 ASN C . 34304 1 104 . 1 1 39 39 ASN CA C 13 56.69 0.05 . 1 . . . . A 9 ASN CA . 34304 1 105 . 1 1 39 39 ASN CB C 13 38.25 0.05 . 1 . . . . A 9 ASN CB . 34304 1 106 . 1 1 39 39 ASN N N 15 116.89 0.05 . 1 . . . . A 9 ASN N . 34304 1 107 . 1 1 39 39 ASN ND2 N 15 112.61 0.05 . 1 . . . . A 9 ASN ND2 . 34304 1 108 . 1 1 40 40 MET H H 1 7.57 0.02 . 1 . . . . A 10 MET H . 34304 1 109 . 1 1 40 40 MET HA H 1 4.02 0.02 . 1 . . . . A 10 MET HA . 34304 1 110 . 1 1 40 40 MET HB2 H 1 1.64 0.02 . 1 . . . . A 10 MET HB2 . 34304 1 111 . 1 1 40 40 MET HB3 H 1 1.80 0.02 . 1 . . . . A 10 MET HB3 . 34304 1 112 . 1 1 40 40 MET HG2 H 1 2.38 0.02 . 2 . . . . A 10 MET HG2 . 34304 1 113 . 1 1 40 40 MET HG3 H 1 2.26 0.02 . 2 . . . . A 10 MET HG3 . 34304 1 114 . 1 1 40 40 MET HE1 H 1 1.74 0.02 . 1 . . . . A 10 MET HE1 . 34304 1 115 . 1 1 40 40 MET HE2 H 1 1.74 0.02 . 1 . . . . A 10 MET HE2 . 34304 1 116 . 1 1 40 40 MET HE3 H 1 1.74 0.02 . 1 . . . . A 10 MET HE3 . 34304 1 117 . 1 1 40 40 MET C C 13 178.18 0.05 . 1 . . . . A 10 MET C . 34304 1 118 . 1 1 40 40 MET CA C 13 59.16 0.05 . 1 . . . . A 10 MET CA . 34304 1 119 . 1 1 40 40 MET CB C 13 29.66 0.05 . 1 . . . . A 10 MET CB . 34304 1 120 . 1 1 40 40 MET CG C 13 31.39 0.05 . 1 . . . . A 10 MET CG . 34304 1 121 . 1 1 40 40 MET CE C 13 16.51 0.05 . 1 . . . . A 10 MET CE . 34304 1 122 . 1 1 40 40 MET N N 15 120.83 0.05 . 1 . . . . A 10 MET N . 34304 1 123 . 1 1 41 41 LEU H H 1 8.31 0.02 . 1 . . . . A 11 LEU H . 34304 1 124 . 1 1 41 41 LEU HA H 1 3.89 0.02 . 1 . . . . A 11 LEU HA . 34304 1 125 . 1 1 41 41 LEU HB2 H 1 2.07 0.02 . 1 . . . . A 11 LEU HB2 . 34304 1 126 . 1 1 41 41 LEU HB3 H 1 1.71 0.02 . 1 . . . . A 11 LEU HB3 . 34304 1 127 . 1 1 41 41 LEU HG H 1 1.92 0.02 . 1 . . . . A 11 LEU HG . 34304 1 128 . 1 1 41 41 LEU HD11 H 1 0.83 0.02 . 1 . . . . A 11 LEU HD11 . 34304 1 129 . 1 1 41 41 LEU HD12 H 1 0.83 0.02 . 1 . . . . A 11 LEU HD12 . 34304 1 130 . 1 1 41 41 LEU HD13 H 1 0.83 0.02 . 1 . . . . A 11 LEU HD13 . 34304 1 131 . 1 1 41 41 LEU HD21 H 1 1.02 0.02 . 1 . . . . A 11 LEU HD21 . 34304 1 132 . 1 1 41 41 LEU HD22 H 1 1.02 0.02 . 1 . . . . A 11 LEU HD22 . 34304 1 133 . 1 1 41 41 LEU HD23 H 1 1.02 0.02 . 1 . . . . A 11 LEU HD23 . 34304 1 134 . 1 1 41 41 LEU CA C 13 58.39 0.05 . 1 . . . . A 11 LEU CA . 34304 1 135 . 1 1 41 41 LEU CB C 13 41.72 0.05 . 1 . . . . A 11 LEU CB . 34304 1 136 . 1 1 41 41 LEU CG C 13 26.70 0.05 . 1 . . . . A 11 LEU CG . 34304 1 137 . 1 1 41 41 LEU CD1 C 13 26.52 0.05 . 1 . . . . A 11 LEU CD1 . 34304 1 138 . 1 1 41 41 LEU CD2 C 13 23.59 0.05 . 1 . . . . A 11 LEU CD2 . 34304 1 139 . 1 1 41 41 LEU N N 15 121.68 0.05 . 1 . . . . A 11 LEU N . 34304 1 140 . 1 1 42 42 LYS H H 1 8.31 0.02 . 1 . . . . A 12 LYS H . 34304 1 141 . 1 1 42 42 LYS HA H 1 3.80 0.02 . 1 . . . . A 12 LYS HA . 34304 1 142 . 1 1 42 42 LYS HB2 H 1 2.00 0.02 . 1 . . . . A 12 LYS HB2 . 34304 1 143 . 1 1 42 42 LYS HB3 H 1 2.00 0.02 . 1 . . . . A 12 LYS HB3 . 34304 1 144 . 1 1 42 42 LYS HG2 H 1 1.30 0.02 . 1 . . . . A 12 LYS HG2 . 34304 1 145 . 1 1 42 42 LYS HG3 H 1 1.30 0.02 . 1 . . . . A 12 LYS HG3 . 34304 1 146 . 1 1 42 42 LYS HD2 H 1 1.75 0.02 . 1 . . . . A 12 LYS HD2 . 34304 1 147 . 1 1 42 42 LYS HD3 H 1 1.75 0.02 . 1 . . . . A 12 LYS HD3 . 34304 1 148 . 1 1 42 42 LYS HE2 H 1 2.91 0.02 . 1 . . . . A 12 LYS HE2 . 34304 1 149 . 1 1 42 42 LYS HE3 H 1 2.91 0.02 . 1 . . . . A 12 LYS HE3 . 34304 1 150 . 1 1 42 42 LYS C C 13 178.41 0.05 . 1 . . . . A 12 LYS C . 34304 1 151 . 1 1 42 42 LYS CA C 13 60.58 0.05 . 1 . . . . A 12 LYS CA . 34304 1 152 . 1 1 42 42 LYS CB C 13 32.20 0.05 . 1 . . . . A 12 LYS CB . 34304 1 153 . 1 1 42 42 LYS CG C 13 26.53 0.05 . 1 . . . . A 12 LYS CG . 34304 1 154 . 1 1 42 42 LYS CD C 13 30.16 0.05 . 1 . . . . A 12 LYS CD . 34304 1 155 . 1 1 42 42 LYS CE C 13 42.10 0.05 . 1 . . . . A 12 LYS CE . 34304 1 156 . 1 1 42 42 LYS N N 15 121.64 0.05 . 1 . . . . A 12 LYS N . 34304 1 157 . 1 1 43 43 GLU H H 1 7.98 0.02 . 1 . . . . A 13 GLU H . 34304 1 158 . 1 1 43 43 GLU HA H 1 4.19 0.02 . 1 . . . . A 13 GLU HA . 34304 1 159 . 1 1 43 43 GLU HB2 H 1 2.24 0.02 . 1 . . . . A 13 GLU HB2 . 34304 1 160 . 1 1 43 43 GLU HB3 H 1 2.16 0.02 . 1 . . . . A 13 GLU HB3 . 34304 1 161 . 1 1 43 43 GLU HG2 H 1 2.43 0.02 . 2 . . . . A 13 GLU HG2 . 34304 1 162 . 1 1 43 43 GLU HG3 H 1 2.33 0.02 . 2 . . . . A 13 GLU HG3 . 34304 1 163 . 1 1 43 43 GLU C C 13 179.93 0.05 . 1 . . . . A 13 GLU C . 34304 1 164 . 1 1 43 43 GLU CA C 13 59.42 0.05 . 1 . . . . A 13 GLU CA . 34304 1 165 . 1 1 43 43 GLU CB C 13 28.88 0.05 . 1 . . . . A 13 GLU CB . 34304 1 166 . 1 1 43 43 GLU CG C 13 36.19 0.05 . 1 . . . . A 13 GLU CG . 34304 1 167 . 1 1 43 43 GLU N N 15 119.00 0.05 . 1 . . . . A 13 GLU N . 34304 1 168 . 1 1 44 44 GLU H H 1 8.23 0.02 . 1 . . . . A 14 GLU H . 34304 1 169 . 1 1 44 44 GLU HA H 1 3.82 0.02 . 1 . . . . A 14 GLU HA . 34304 1 170 . 1 1 44 44 GLU HB2 H 1 1.36 0.02 . 1 . . . . A 14 GLU HB2 . 34304 1 171 . 1 1 44 44 GLU HB3 H 1 0.94 0.02 . 1 . . . . A 14 GLU HB3 . 34304 1 172 . 1 1 44 44 GLU HG2 H 1 2.35 0.02 . 2 . . . . A 14 GLU HG2 . 34304 1 173 . 1 1 44 44 GLU HG3 H 1 1.85 0.02 . 2 . . . . A 14 GLU HG3 . 34304 1 174 . 1 1 44 44 GLU C C 13 180.31 0.05 . 1 . . . . A 14 GLU C . 34304 1 175 . 1 1 44 44 GLU CA C 13 58.77 0.05 . 1 . . . . A 14 GLU CA . 34304 1 176 . 1 1 44 44 GLU CB C 13 27.18 0.05 . 1 . . . . A 14 GLU CB . 34304 1 177 . 1 1 44 44 GLU CG C 13 36.18 0.05 . 1 . . . . A 14 GLU CG . 34304 1 178 . 1 1 44 44 GLU N N 15 120.04 0.05 . 1 . . . . A 14 GLU N . 34304 1 179 . 1 1 45 45 GLY H H 1 8.42 0.02 . 1 . . . . A 15 GLY H . 34304 1 180 . 1 1 45 45 GLY HA2 H 1 3.64 0.02 . 1 . . . . A 15 GLY HA2 . 34304 1 181 . 1 1 45 45 GLY HA3 H 1 3.33 0.02 . 1 . . . . A 15 GLY HA3 . 34304 1 182 . 1 1 45 45 GLY C C 13 174.25 0.05 . 1 . . . . A 15 GLY C . 34304 1 183 . 1 1 45 45 GLY CA C 13 48.27 0.05 . 1 . . . . A 15 GLY CA . 34304 1 184 . 1 1 45 45 GLY N N 15 109.74 0.05 . 1 . . . . A 15 GLY N . 34304 1 185 . 1 1 46 46 ASN H H 1 8.70 0.02 . 1 . . . . A 16 ASN H . 34304 1 186 . 1 1 46 46 ASN HA H 1 4.54 0.02 . 1 . . . . A 16 ASN HA . 34304 1 187 . 1 1 46 46 ASN HB2 H 1 3.21 0.02 . 1 . . . . A 16 ASN HB2 . 34304 1 188 . 1 1 46 46 ASN HB3 H 1 2.98 0.02 . 1 . . . . A 16 ASN HB3 . 34304 1 189 . 1 1 46 46 ASN HD21 H 1 7.71 0.02 . 1 . . . . A 16 ASN HD21 . 34304 1 190 . 1 1 46 46 ASN HD22 H 1 6.85 0.02 . 1 . . . . A 16 ASN HD22 . 34304 1 191 . 1 1 46 46 ASN C C 13 178.74 0.05 . 1 . . . . A 16 ASN C . 34304 1 192 . 1 1 46 46 ASN CA C 13 56.01 0.05 . 1 . . . . A 16 ASN CA . 34304 1 193 . 1 1 46 46 ASN CB C 13 37.63 0.05 . 1 . . . . A 16 ASN CB . 34304 1 194 . 1 1 46 46 ASN N N 15 121.83 0.05 . 1 . . . . A 16 ASN N . 34304 1 195 . 1 1 46 46 ASN ND2 N 15 111.17 0.05 . 1 . . . . A 16 ASN ND2 . 34304 1 196 . 1 1 47 47 LYS H H 1 8.38 0.02 . 1 . . . . A 17 LYS H . 34304 1 197 . 1 1 47 47 LYS HA H 1 4.06 0.02 . 1 . . . . A 17 LYS HA . 34304 1 198 . 1 1 47 47 LYS HB2 H 1 1.96 0.02 . 2 . . . . A 17 LYS HB2 . 34304 1 199 . 1 1 47 47 LYS HB3 H 1 1.93 0.02 . 2 . . . . A 17 LYS HB3 . 34304 1 200 . 1 1 47 47 LYS HG2 H 1 1.72 0.02 . 2 . . . . A 17 LYS HG2 . 34304 1 201 . 1 1 47 47 LYS HG3 H 1 1.56 0.02 . 2 . . . . A 17 LYS HG3 . 34304 1 202 . 1 1 47 47 LYS HD2 H 1 1.71 0.02 . 1 . . . . A 17 LYS HD2 . 34304 1 203 . 1 1 47 47 LYS HD3 H 1 1.71 0.02 . 1 . . . . A 17 LYS HD3 . 34304 1 204 . 1 1 47 47 LYS HE2 H 1 2.97 0.02 . 1 . . . . A 17 LYS HE2 . 34304 1 205 . 1 1 47 47 LYS HE3 H 1 2.97 0.02 . 1 . . . . A 17 LYS HE3 . 34304 1 206 . 1 1 47 47 LYS C C 13 179.68 0.05 . 1 . . . . A 17 LYS C . 34304 1 207 . 1 1 47 47 LYS CA C 13 59.84 0.05 . 1 . . . . A 17 LYS CA . 34304 1 208 . 1 1 47 47 LYS CB C 13 32.37 0.05 . 1 . . . . A 17 LYS CB . 34304 1 209 . 1 1 47 47 LYS CG C 13 25.28 0.05 . 1 . . . . A 17 LYS CG . 34304 1 210 . 1 1 47 47 LYS CD C 13 29.47 0.05 . 1 . . . . A 17 LYS CD . 34304 1 211 . 1 1 47 47 LYS CE C 13 42.04 0.05 . 1 . . . . A 17 LYS CE . 34304 1 212 . 1 1 47 47 LYS N N 15 122.10 0.05 . 1 . . . . A 17 LYS N . 34304 1 213 . 1 1 48 48 ALA H H 1 8.00 0.02 . 1 . . . . A 18 ALA H . 34304 1 214 . 1 1 48 48 ALA HA H 1 4.41 0.02 . 1 . . . . A 18 ALA HA . 34304 1 215 . 1 1 48 48 ALA HB1 H 1 1.75 0.02 . 1 . . . . A 18 ALA HB1 . 34304 1 216 . 1 1 48 48 ALA HB2 H 1 1.75 0.02 . 1 . . . . A 18 ALA HB2 . 34304 1 217 . 1 1 48 48 ALA HB3 H 1 1.75 0.02 . 1 . . . . A 18 ALA HB3 . 34304 1 218 . 1 1 48 48 ALA C C 13 179.82 0.05 . 1 . . . . A 18 ALA C . 34304 1 219 . 1 1 48 48 ALA CA C 13 54.91 0.05 . 1 . . . . A 18 ALA CA . 34304 1 220 . 1 1 48 48 ALA CB C 13 17.37 0.05 . 1 . . . . A 18 ALA CB . 34304 1 221 . 1 1 48 48 ALA N N 15 122.90 0.05 . 1 . . . . A 18 ALA N . 34304 1 222 . 1 1 49 49 LEU H H 1 8.69 0.02 . 1 . . . . A 19 LEU H . 34304 1 223 . 1 1 49 49 LEU HA H 1 3.83 0.02 . 1 . . . . A 19 LEU HA . 34304 1 224 . 1 1 49 49 LEU HB2 H 1 1.94 0.02 . 1 . . . . A 19 LEU HB2 . 34304 1 225 . 1 1 49 49 LEU HB3 H 1 1.89 0.02 . 1 . . . . A 19 LEU HB3 . 34304 1 226 . 1 1 49 49 LEU HG H 1 1.84 0.02 . 1 . . . . A 19 LEU HG . 34304 1 227 . 1 1 49 49 LEU HD11 H 1 1.02 0.02 . 1 . . . . A 19 LEU HD11 . 34304 1 228 . 1 1 49 49 LEU HD12 H 1 1.02 0.02 . 1 . . . . A 19 LEU HD12 . 34304 1 229 . 1 1 49 49 LEU HD13 H 1 1.02 0.02 . 1 . . . . A 19 LEU HD13 . 34304 1 230 . 1 1 49 49 LEU HD21 H 1 1.06 0.02 . 1 . . . . A 19 LEU HD21 . 34304 1 231 . 1 1 49 49 LEU HD22 H 1 1.06 0.02 . 1 . . . . A 19 LEU HD22 . 34304 1 232 . 1 1 49 49 LEU HD23 H 1 1.06 0.02 . 1 . . . . A 19 LEU HD23 . 34304 1 233 . 1 1 49 49 LEU C C 13 180.74 0.05 . 1 . . . . A 19 LEU C . 34304 1 234 . 1 1 49 49 LEU CA C 13 58.16 0.05 . 1 . . . . A 19 LEU CA . 34304 1 235 . 1 1 49 49 LEU CB C 13 41.98 0.05 . 1 . . . . A 19 LEU CB . 34304 1 236 . 1 1 49 49 LEU CG C 13 26.71 0.05 . 1 . . . . A 19 LEU CG . 34304 1 237 . 1 1 49 49 LEU CD1 C 13 25.26 0.05 . 1 . . . . A 19 LEU CD1 . 34304 1 238 . 1 1 49 49 LEU CD2 C 13 26.35 0.05 . 1 . . . . A 19 LEU CD2 . 34304 1 239 . 1 1 49 49 LEU N N 15 120.03 0.05 . 1 . . . . A 19 LEU N . 34304 1 240 . 1 1 50 50 SER H H 1 8.18 0.02 . 1 . . . . A 20 SER H . 34304 1 241 . 1 1 50 50 SER HA H 1 4.33 0.02 . 1 . . . . A 20 SER HA . 34304 1 242 . 1 1 50 50 SER HB2 H 1 4.19 0.02 . 2 . . . . A 20 SER HB2 . 34304 1 243 . 1 1 50 50 SER HB3 H 1 4.16 0.02 . 2 . . . . A 20 SER HB3 . 34304 1 244 . 1 1 50 50 SER C C 13 175.61 0.05 . 1 . . . . A 20 SER C . 34304 1 245 . 1 1 50 50 SER CA C 13 61.73 0.05 . 1 . . . . A 20 SER CA . 34304 1 246 . 1 1 50 50 SER CB C 13 63.30 0.05 . 1 . . . . A 20 SER CB . 34304 1 247 . 1 1 50 50 SER N N 15 114.52 0.05 . 1 . . . . A 20 SER N . 34304 1 248 . 1 1 51 51 VAL H H 1 7.24 0.02 . 1 . . . . A 21 VAL H . 34304 1 249 . 1 1 51 51 VAL HA H 1 4.75 0.02 . 1 . . . . A 21 VAL HA . 34304 1 250 . 1 1 51 51 VAL HB H 1 2.65 0.02 . 1 . . . . A 21 VAL HB . 34304 1 251 . 1 1 51 51 VAL HG11 H 1 1.07 0.02 . 1 . . . . A 21 VAL HG11 . 34304 1 252 . 1 1 51 51 VAL HG12 H 1 1.07 0.02 . 1 . . . . A 21 VAL HG12 . 34304 1 253 . 1 1 51 51 VAL HG13 H 1 1.07 0.02 . 1 . . . . A 21 VAL HG13 . 34304 1 254 . 1 1 51 51 VAL HG21 H 1 1.16 0.02 . 1 . . . . A 21 VAL HG21 . 34304 1 255 . 1 1 51 51 VAL HG22 H 1 1.16 0.02 . 1 . . . . A 21 VAL HG22 . 34304 1 256 . 1 1 51 51 VAL HG23 H 1 1.16 0.02 . 1 . . . . A 21 VAL HG23 . 34304 1 257 . 1 1 51 51 VAL C C 13 176.60 0.05 . 1 . . . . A 21 VAL C . 34304 1 258 . 1 1 51 51 VAL CA C 13 60.84 0.05 . 1 . . . . A 21 VAL CA . 34304 1 259 . 1 1 51 51 VAL CB C 13 31.43 0.05 . 1 . . . . A 21 VAL CB . 34304 1 260 . 1 1 51 51 VAL CG1 C 13 21.25 0.05 . 1 . . . . A 21 VAL CG1 . 34304 1 261 . 1 1 51 51 VAL CG2 C 13 19.32 0.05 . 1 . . . . A 21 VAL CG2 . 34304 1 262 . 1 1 51 51 VAL N N 15 112.04 0.05 . 1 . . . . A 21 VAL N . 34304 1 263 . 1 1 52 52 GLY H H 1 8.01 0.02 . 1 . . . . A 22 GLY H . 34304 1 264 . 1 1 52 52 GLY HA2 H 1 3.77 0.02 . 1 . . . . A 22 GLY HA2 . 34304 1 265 . 1 1 52 52 GLY HA3 H 1 4.40 0.02 . 1 . . . . A 22 GLY HA3 . 34304 1 266 . 1 1 52 52 GLY C C 13 174.24 0.05 . 1 . . . . A 22 GLY C . 34304 1 267 . 1 1 52 52 GLY CA C 13 45.71 0.05 . 1 . . . . A 22 GLY CA . 34304 1 268 . 1 1 52 52 GLY N N 15 109.25 0.05 . 1 . . . . A 22 GLY N . 34304 1 269 . 1 1 53 53 ASN H H 1 8.39 0.02 . 1 . . . . A 23 ASN H . 34304 1 270 . 1 1 53 53 ASN HA H 1 5.12 0.02 . 1 . . . . A 23 ASN HA . 34304 1 271 . 1 1 53 53 ASN HB2 H 1 3.27 0.02 . 2 . . . . A 23 ASN HB2 . 34304 1 272 . 1 1 53 53 ASN HB3 H 1 2.76 0.02 . 2 . . . . A 23 ASN HB3 . 34304 1 273 . 1 1 53 53 ASN HD21 H 1 7.70 0.02 . 1 . . . . A 23 ASN HD21 . 34304 1 274 . 1 1 53 53 ASN HD22 H 1 7.08 0.02 . 1 . . . . A 23 ASN HD22 . 34304 1 275 . 1 1 53 53 ASN C C 13 175.02 0.05 . 1 . . . . A 23 ASN C . 34304 1 276 . 1 1 53 53 ASN CA C 13 51.17 0.05 . 1 . . . . A 23 ASN CA . 34304 1 277 . 1 1 53 53 ASN CB C 13 36.53 0.05 . 1 . . . . A 23 ASN CB . 34304 1 278 . 1 1 53 53 ASN N N 15 122.15 0.05 . 1 . . . . A 23 ASN N . 34304 1 279 . 1 1 53 53 ASN ND2 N 15 111.82 0.05 . 1 . . . . A 23 ASN ND2 . 34304 1 280 . 1 1 54 54 ILE H H 1 7.74 0.02 . 1 . . . . A 24 ILE H . 34304 1 281 . 1 1 54 54 ILE HA H 1 3.67 0.02 . 1 . . . . A 24 ILE HA . 34304 1 282 . 1 1 54 54 ILE HB H 1 1.93 0.02 . 1 . . . . A 24 ILE HB . 34304 1 283 . 1 1 54 54 ILE HG12 H 1 1.55 0.02 . 2 . . . . A 24 ILE HG12 . 34304 1 284 . 1 1 54 54 ILE HG13 H 1 1.35 0.02 . 2 . . . . A 24 ILE HG13 . 34304 1 285 . 1 1 54 54 ILE HG21 H 1 1.00 0.02 . 1 . . . . A 24 ILE HG21 . 34304 1 286 . 1 1 54 54 ILE HG22 H 1 1.00 0.02 . 1 . . . . A 24 ILE HG22 . 34304 1 287 . 1 1 54 54 ILE HG23 H 1 1.00 0.02 . 1 . . . . A 24 ILE HG23 . 34304 1 288 . 1 1 54 54 ILE HD11 H 1 0.95 0.02 . 1 . . . . A 24 ILE HD11 . 34304 1 289 . 1 1 54 54 ILE HD12 H 1 0.95 0.02 . 1 . . . . A 24 ILE HD12 . 34304 1 290 . 1 1 54 54 ILE HD13 H 1 0.95 0.02 . 1 . . . . A 24 ILE HD13 . 34304 1 291 . 1 1 54 54 ILE C C 13 176.55 0.05 . 1 . . . . A 24 ILE C . 34304 1 292 . 1 1 54 54 ILE CA C 13 63.91 0.05 . 1 . . . . A 24 ILE CA . 34304 1 293 . 1 1 54 54 ILE CB C 13 37.80 0.05 . 1 . . . . A 24 ILE CB . 34304 1 294 . 1 1 54 54 ILE CG1 C 13 28.82 0.05 . 1 . . . . A 24 ILE CG1 . 34304 1 295 . 1 1 54 54 ILE CG2 C 13 17.79 0.05 . 1 . . . . A 24 ILE CG2 . 34304 1 296 . 1 1 54 54 ILE CD1 C 13 12.58 0.05 . 1 . . . . A 24 ILE CD1 . 34304 1 297 . 1 1 54 54 ILE N N 15 122.43 0.05 . 1 . . . . A 24 ILE N . 34304 1 298 . 1 1 55 55 ASP H H 1 8.33 0.02 . 1 . . . . A 25 ASP H . 34304 1 299 . 1 1 55 55 ASP HA H 1 4.41 0.02 . 1 . . . . A 25 ASP HA . 34304 1 300 . 1 1 55 55 ASP HB2 H 1 2.74 0.02 . 1 . . . . A 25 ASP HB2 . 34304 1 301 . 1 1 55 55 ASP HB3 H 1 2.74 0.02 . 1 . . . . A 25 ASP HB3 . 34304 1 302 . 1 1 55 55 ASP C C 13 179.19 0.05 . 1 . . . . A 25 ASP C . 34304 1 303 . 1 1 55 55 ASP CA C 13 57.88 0.05 . 1 . . . . A 25 ASP CA . 34304 1 304 . 1 1 55 55 ASP CB C 13 40.59 0.05 . 1 . . . . A 25 ASP CB . 34304 1 305 . 1 1 55 55 ASP N N 15 119.41 0.05 . 1 . . . . A 25 ASP N . 34304 1 306 . 1 1 56 56 ASP H H 1 7.61 0.02 . 1 . . . . A 26 ASP H . 34304 1 307 . 1 1 56 56 ASP HA H 1 4.35 0.02 . 1 . . . . A 26 ASP HA . 34304 1 308 . 1 1 56 56 ASP HB2 H 1 2.54 0.02 . 1 . . . . A 26 ASP HB2 . 34304 1 309 . 1 1 56 56 ASP HB3 H 1 2.50 0.02 . 1 . . . . A 26 ASP HB3 . 34304 1 310 . 1 1 56 56 ASP C C 13 177.86 0.05 . 1 . . . . A 26 ASP C . 34304 1 311 . 1 1 56 56 ASP CA C 13 56.88 0.05 . 1 . . . . A 26 ASP CA . 34304 1 312 . 1 1 56 56 ASP CB C 13 39.93 0.05 . 1 . . . . A 26 ASP CB . 34304 1 313 . 1 1 56 56 ASP N N 15 117.97 0.05 . 1 . . . . A 26 ASP N . 34304 1 314 . 1 1 57 57 ALA H H 1 7.96 0.02 . 1 . . . . A 27 ALA H . 34304 1 315 . 1 1 57 57 ALA HA H 1 4.05 0.02 . 1 . . . . A 27 ALA HA . 34304 1 316 . 1 1 57 57 ALA HB1 H 1 1.54 0.02 . 1 . . . . A 27 ALA HB1 . 34304 1 317 . 1 1 57 57 ALA HB2 H 1 1.54 0.02 . 1 . . . . A 27 ALA HB2 . 34304 1 318 . 1 1 57 57 ALA HB3 H 1 1.54 0.02 . 1 . . . . A 27 ALA HB3 . 34304 1 319 . 1 1 57 57 ALA C C 13 178.49 0.05 . 1 . . . . A 27 ALA C . 34304 1 320 . 1 1 57 57 ALA CA C 13 56.36 0.05 . 1 . . . . A 27 ALA CA . 34304 1 321 . 1 1 57 57 ALA CB C 13 19.01 0.05 . 1 . . . . A 27 ALA CB . 34304 1 322 . 1 1 57 57 ALA N N 15 121.67 0.05 . 1 . . . . A 27 ALA N . 34304 1 323 . 1 1 58 58 LEU H H 1 8.42 0.02 . 1 . . . . A 28 LEU H . 34304 1 324 . 1 1 58 58 LEU HA H 1 4.14 0.02 . 1 . . . . A 28 LEU HA . 34304 1 325 . 1 1 58 58 LEU HB2 H 1 2.02 0.02 . 1 . . . . A 28 LEU HB2 . 34304 1 326 . 1 1 58 58 LEU HB3 H 1 1.72 0.02 . 1 . . . . A 28 LEU HB3 . 34304 1 327 . 1 1 58 58 LEU HG H 1 2.03 0.02 . 1 . . . . A 28 LEU HG . 34304 1 328 . 1 1 58 58 LEU HD11 H 1 1.01 0.02 . 1 . . . . A 28 LEU HD11 . 34304 1 329 . 1 1 58 58 LEU HD12 H 1 1.01 0.02 . 1 . . . . A 28 LEU HD12 . 34304 1 330 . 1 1 58 58 LEU HD13 H 1 1.01 0.02 . 1 . . . . A 28 LEU HD13 . 34304 1 331 . 1 1 58 58 LEU HD21 H 1 1.04 0.02 . 1 . . . . A 28 LEU HD21 . 34304 1 332 . 1 1 58 58 LEU HD22 H 1 1.04 0.02 . 1 . . . . A 28 LEU HD22 . 34304 1 333 . 1 1 58 58 LEU HD23 H 1 1.04 0.02 . 1 . . . . A 28 LEU HD23 . 34304 1 334 . 1 1 58 58 LEU C C 13 179.55 0.05 . 1 . . . . A 28 LEU C . 34304 1 335 . 1 1 58 58 LEU CA C 13 58.37 0.05 . 1 . . . . A 28 LEU CA . 34304 1 336 . 1 1 58 58 LEU CB C 13 41.58 0.05 . 1 . . . . A 28 LEU CB . 34304 1 337 . 1 1 58 58 LEU CG C 13 27.21 0.05 . 1 . . . . A 28 LEU CG . 34304 1 338 . 1 1 58 58 LEU CD1 C 13 25.59 0.05 . 1 . . . . A 28 LEU CD1 . 34304 1 339 . 1 1 58 58 LEU CD2 C 13 23.75 0.05 . 1 . . . . A 28 LEU CD2 . 34304 1 340 . 1 1 58 58 LEU N N 15 114.85 0.05 . 1 . . . . A 28 LEU N . 34304 1 341 . 1 1 59 59 GLN H H 1 7.51 0.02 . 1 . . . . A 29 GLN H . 34304 1 342 . 1 1 59 59 GLN HA H 1 4.17 0.02 . 1 . . . . A 29 GLN HA . 34304 1 343 . 1 1 59 59 GLN HB2 H 1 2.11 0.02 . 1 . . . . A 29 GLN HB2 . 34304 1 344 . 1 1 59 59 GLN HB3 H 1 2.07 0.02 . 1 . . . . A 29 GLN HB3 . 34304 1 345 . 1 1 59 59 GLN HG2 H 1 2.65 0.02 . 2 . . . . A 29 GLN HG2 . 34304 1 346 . 1 1 59 59 GLN HG3 H 1 2.37 0.02 . 2 . . . . A 29 GLN HG3 . 34304 1 347 . 1 1 59 59 GLN HE21 H 1 7.23 0.02 . 1 . . . . A 29 GLN HE21 . 34304 1 348 . 1 1 59 59 GLN HE22 H 1 6.70 0.02 . 1 . . . . A 29 GLN HE22 . 34304 1 349 . 1 1 59 59 GLN C C 13 179.78 0.05 . 1 . . . . A 29 GLN C . 34304 1 350 . 1 1 59 59 GLN CA C 13 59.39 0.05 . 1 . . . . A 29 GLN CA . 34304 1 351 . 1 1 59 59 GLN CB C 13 28.54 0.05 . 1 . . . . A 29 GLN CB . 34304 1 352 . 1 1 59 59 GLN CG C 13 34.44 0.05 . 1 . . . . A 29 GLN CG . 34304 1 353 . 1 1 59 59 GLN N N 15 117.54 0.05 . 1 . . . . A 29 GLN N . 34304 1 354 . 1 1 59 59 GLN NE2 N 15 111.42 0.05 . 1 . . . . A 29 GLN NE2 . 34304 1 355 . 1 1 60 60 TYR H H 1 8.30 0.02 . 1 . . . . A 30 TYR H . 34304 1 356 . 1 1 60 60 TYR HA H 1 4.24 0.02 . 1 . . . . A 30 TYR HA . 34304 1 357 . 1 1 60 60 TYR HB2 H 1 2.67 0.02 . 1 . . . . A 30 TYR HB2 . 34304 1 358 . 1 1 60 60 TYR HB3 H 1 3.37 0.02 . 1 . . . . A 30 TYR HB3 . 34304 1 359 . 1 1 60 60 TYR HD1 H 1 6.94 0.02 . 1 . . . . A 30 TYR HD1 . 34304 1 360 . 1 1 60 60 TYR HD2 H 1 6.94 0.02 . 1 . . . . A 30 TYR HD2 . 34304 1 361 . 1 1 60 60 TYR HE1 H 1 6.60 0.02 . 1 . . . . A 30 TYR HE1 . 34304 1 362 . 1 1 60 60 TYR HE2 H 1 6.60 0.02 . 1 . . . . A 30 TYR HE2 . 34304 1 363 . 1 1 60 60 TYR C C 13 178.51 0.05 . 1 . . . . A 30 TYR C . 34304 1 364 . 1 1 60 60 TYR CA C 13 63.04 0.05 . 1 . . . . A 30 TYR CA . 34304 1 365 . 1 1 60 60 TYR CB C 13 37.04 0.05 . 1 . . . . A 30 TYR CB . 34304 1 366 . 1 1 60 60 TYR CD1 C 13 132.82 0.05 . 1 . . . . A 30 TYR CD1 . 34304 1 367 . 1 1 60 60 TYR CD2 C 13 132.82 0.05 . 1 . . . . A 30 TYR CD2 . 34304 1 368 . 1 1 60 60 TYR CE1 C 13 117.71 0.05 . 1 . . . . A 30 TYR CE1 . 34304 1 369 . 1 1 60 60 TYR CE2 C 13 117.71 0.05 . 1 . . . . A 30 TYR CE2 . 34304 1 370 . 1 1 60 60 TYR N N 15 120.58 0.05 . 1 . . . . A 30 TYR N . 34304 1 371 . 1 1 61 61 TYR H H 1 8.74 0.02 . 1 . . . . A 31 TYR H . 34304 1 372 . 1 1 61 61 TYR HA H 1 4.47 0.02 . 1 . . . . A 31 TYR HA . 34304 1 373 . 1 1 61 61 TYR HB2 H 1 3.09 0.02 . 1 . . . . A 31 TYR HB2 . 34304 1 374 . 1 1 61 61 TYR HB3 H 1 3.15 0.02 . 1 . . . . A 31 TYR HB3 . 34304 1 375 . 1 1 61 61 TYR HD1 H 1 7.00 0.02 . 1 . . . . A 31 TYR HD1 . 34304 1 376 . 1 1 61 61 TYR HD2 H 1 7.00 0.02 . 1 . . . . A 31 TYR HD2 . 34304 1 377 . 1 1 61 61 TYR HE1 H 1 6.78 0.02 . 1 . . . . A 31 TYR HE1 . 34304 1 378 . 1 1 61 61 TYR HE2 H 1 6.78 0.02 . 1 . . . . A 31 TYR HE2 . 34304 1 379 . 1 1 61 61 TYR C C 13 178.66 0.05 . 1 . . . . A 31 TYR C . 34304 1 380 . 1 1 61 61 TYR CA C 13 60.45 0.05 . 1 . . . . A 31 TYR CA . 34304 1 381 . 1 1 61 61 TYR CB C 13 37.67 0.05 . 1 . . . . A 31 TYR CB . 34304 1 382 . 1 1 61 61 TYR CD1 C 13 130.68 0.05 . 1 . . . . A 31 TYR CD1 . 34304 1 383 . 1 1 61 61 TYR CD2 C 13 130.68 0.05 . 1 . . . . A 31 TYR CD2 . 34304 1 384 . 1 1 61 61 TYR CE1 C 13 118.09 0.05 . 1 . . . . A 31 TYR CE1 . 34304 1 385 . 1 1 61 61 TYR CE2 C 13 118.09 0.05 . 1 . . . . A 31 TYR CE2 . 34304 1 386 . 1 1 61 61 TYR N N 15 117.47 0.05 . 1 . . . . A 31 TYR N . 34304 1 387 . 1 1 62 62 ALA H H 1 8.71 0.02 . 1 . . . . A 32 ALA H . 34304 1 388 . 1 1 62 62 ALA HA H 1 4.03 0.02 . 1 . . . . A 32 ALA HA . 34304 1 389 . 1 1 62 62 ALA HB1 H 1 1.65 0.02 . 1 . . . . A 32 ALA HB1 . 34304 1 390 . 1 1 62 62 ALA HB2 H 1 1.65 0.02 . 1 . . . . A 32 ALA HB2 . 34304 1 391 . 1 1 62 62 ALA HB3 H 1 1.65 0.02 . 1 . . . . A 32 ALA HB3 . 34304 1 392 . 1 1 62 62 ALA C C 13 180.61 0.05 . 1 . . . . A 32 ALA C . 34304 1 393 . 1 1 62 62 ALA CA C 13 55.49 0.05 . 1 . . . . A 32 ALA CA . 34304 1 394 . 1 1 62 62 ALA CB C 13 18.23 0.05 . 1 . . . . A 32 ALA CB . 34304 1 395 . 1 1 62 62 ALA N N 15 120.66 0.05 . 1 . . . . A 32 ALA N . 34304 1 396 . 1 1 63 63 ALA H H 1 7.96 0.02 . 1 . . . . A 33 ALA H . 34304 1 397 . 1 1 63 63 ALA HA H 1 4.12 0.02 . 1 . . . . A 33 ALA HA . 34304 1 398 . 1 1 63 63 ALA HB1 H 1 1.69 0.02 . 1 . . . . A 33 ALA HB1 . 34304 1 399 . 1 1 63 63 ALA HB2 H 1 1.69 0.02 . 1 . . . . A 33 ALA HB2 . 34304 1 400 . 1 1 63 63 ALA HB3 H 1 1.69 0.02 . 1 . . . . A 33 ALA HB3 . 34304 1 401 . 1 1 63 63 ALA C C 13 178.60 0.05 . 1 . . . . A 33 ALA C . 34304 1 402 . 1 1 63 63 ALA CA C 13 54.78 0.05 . 1 . . . . A 33 ALA CA . 34304 1 403 . 1 1 63 63 ALA CB C 13 19.57 0.05 . 1 . . . . A 33 ALA CB . 34304 1 404 . 1 1 63 63 ALA N N 15 120.32 0.05 . 1 . . . . A 33 ALA N . 34304 1 405 . 1 1 64 64 ALA H H 1 8.42 0.02 . 1 . . . . A 34 ALA H . 34304 1 406 . 1 1 64 64 ALA HA H 1 4.02 0.02 . 1 . . . . A 34 ALA HA . 34304 1 407 . 1 1 64 64 ALA HB1 H 1 1.76 0.02 . 1 . . . . A 34 ALA HB1 . 34304 1 408 . 1 1 64 64 ALA HB2 H 1 1.76 0.02 . 1 . . . . A 34 ALA HB2 . 34304 1 409 . 1 1 64 64 ALA HB3 H 1 1.76 0.02 . 1 . . . . A 34 ALA HB3 . 34304 1 410 . 1 1 64 64 ALA C C 13 179.05 0.05 . 1 . . . . A 34 ALA C . 34304 1 411 . 1 1 64 64 ALA CA C 13 55.75 0.05 . 1 . . . . A 34 ALA CA . 34304 1 412 . 1 1 64 64 ALA CB C 13 18.38 0.05 . 1 . . . . A 34 ALA CB . 34304 1 413 . 1 1 64 64 ALA N N 15 120.77 0.05 . 1 . . . . A 34 ALA N . 34304 1 414 . 1 1 65 65 ILE H H 1 7.98 0.02 . 1 . . . . A 35 ILE H . 34304 1 415 . 1 1 65 65 ILE HA H 1 3.94 0.02 . 1 . . . . A 35 ILE HA . 34304 1 416 . 1 1 65 65 ILE HB H 1 2.09 0.02 . 1 . . . . A 35 ILE HB . 34304 1 417 . 1 1 65 65 ILE HG12 H 1 1.85 0.02 . 2 . . . . A 35 ILE HG12 . 34304 1 418 . 1 1 65 65 ILE HG13 H 1 1.38 0.02 . 2 . . . . A 35 ILE HG13 . 34304 1 419 . 1 1 65 65 ILE HG21 H 1 1.06 0.02 . 1 . . . . A 35 ILE HG21 . 34304 1 420 . 1 1 65 65 ILE HG22 H 1 1.06 0.02 . 1 . . . . A 35 ILE HG22 . 34304 1 421 . 1 1 65 65 ILE HG23 H 1 1.06 0.02 . 1 . . . . A 35 ILE HG23 . 34304 1 422 . 1 1 65 65 ILE HD11 H 1 0.96 0.02 . 1 . . . . A 35 ILE HD11 . 34304 1 423 . 1 1 65 65 ILE HD12 H 1 0.96 0.02 . 1 . . . . A 35 ILE HD12 . 34304 1 424 . 1 1 65 65 ILE HD13 H 1 0.96 0.02 . 1 . . . . A 35 ILE HD13 . 34304 1 425 . 1 1 65 65 ILE C C 13 178.46 0.05 . 1 . . . . A 35 ILE C . 34304 1 426 . 1 1 65 65 ILE CA C 13 64.73 0.05 . 1 . . . . A 35 ILE CA . 34304 1 427 . 1 1 65 65 ILE CB C 13 38.15 0.05 . 1 . . . . A 35 ILE CB . 34304 1 428 . 1 1 65 65 ILE CG1 C 13 29.08 0.05 . 1 . . . . A 35 ILE CG1 . 34304 1 429 . 1 1 65 65 ILE CG2 C 13 17.72 0.05 . 1 . . . . A 35 ILE CG2 . 34304 1 430 . 1 1 65 65 ILE CD1 C 13 13.68 0.05 . 1 . . . . A 35 ILE CD1 . 34304 1 431 . 1 1 65 65 ILE N N 15 116.94 0.05 . 1 . . . . A 35 ILE N . 34304 1 432 . 1 1 66 66 THR H H 1 8.03 0.02 . 1 . . . . A 36 THR H . 34304 1 433 . 1 1 66 66 THR HA H 1 3.97 0.02 . 1 . . . . A 36 THR HA . 34304 1 434 . 1 1 66 66 THR HB H 1 4.34 0.02 . 1 . . . . A 36 THR HB . 34304 1 435 . 1 1 66 66 THR HG21 H 1 1.33 0.02 . 1 . . . . A 36 THR HG21 . 34304 1 436 . 1 1 66 66 THR HG22 H 1 1.33 0.02 . 1 . . . . A 36 THR HG22 . 34304 1 437 . 1 1 66 66 THR HG23 H 1 1.33 0.02 . 1 . . . . A 36 THR HG23 . 34304 1 438 . 1 1 66 66 THR C C 13 177.12 0.05 . 1 . . . . A 36 THR C . 34304 1 439 . 1 1 66 66 THR CA C 13 66.93 0.05 . 1 . . . . A 36 THR CA . 34304 1 440 . 1 1 66 66 THR CB C 13 68.79 0.05 . 1 . . . . A 36 THR CB . 34304 1 441 . 1 1 66 66 THR CG2 C 13 22.30 0.05 . 1 . . . . A 36 THR CG2 . 34304 1 442 . 1 1 66 66 THR N N 15 117.55 0.05 . 1 . . . . A 36 THR N . 34304 1 443 . 1 1 67 67 LEU H H 1 8.60 0.02 . 1 . . . . A 37 LEU H . 34304 1 444 . 1 1 67 67 LEU HA H 1 4.13 0.02 . 1 . . . . A 37 LEU HA . 34304 1 445 . 1 1 67 67 LEU HB2 H 1 1.86 0.02 . 1 . . . . A 37 LEU HB2 . 34304 1 446 . 1 1 67 67 LEU HB3 H 1 1.44 0.02 . 1 . . . . A 37 LEU HB3 . 34304 1 447 . 1 1 67 67 LEU HG H 1 1.79 0.02 . 1 . . . . A 37 LEU HG . 34304 1 448 . 1 1 67 67 LEU HD11 H 1 0.84 0.02 . 1 . . . . A 37 LEU HD11 . 34304 1 449 . 1 1 67 67 LEU HD12 H 1 0.84 0.02 . 1 . . . . A 37 LEU HD12 . 34304 1 450 . 1 1 67 67 LEU HD13 H 1 0.84 0.02 . 1 . . . . A 37 LEU HD13 . 34304 1 451 . 1 1 67 67 LEU HD21 H 1 0.81 0.02 . 1 . . . . A 37 LEU HD21 . 34304 1 452 . 1 1 67 67 LEU HD22 H 1 0.81 0.02 . 1 . . . . A 37 LEU HD22 . 34304 1 453 . 1 1 67 67 LEU HD23 H 1 0.81 0.02 . 1 . . . . A 37 LEU HD23 . 34304 1 454 . 1 1 67 67 LEU C C 13 178.52 0.05 . 1 . . . . A 37 LEU C . 34304 1 455 . 1 1 67 67 LEU CA C 13 58.14 0.05 . 1 . . . . A 37 LEU CA . 34304 1 456 . 1 1 67 67 LEU CB C 13 41.36 0.05 . 1 . . . . A 37 LEU CB . 34304 1 457 . 1 1 67 67 LEU CG C 13 28.71 0.05 . 1 . . . . A 37 LEU CG . 34304 1 458 . 1 1 67 67 LEU CD1 C 13 25.67 0.05 . 1 . . . . A 37 LEU CD1 . 34304 1 459 . 1 1 67 67 LEU CD2 C 13 25.08 0.05 . 1 . . . . A 37 LEU CD2 . 34304 1 460 . 1 1 67 67 LEU N N 15 120.49 0.05 . 1 . . . . A 37 LEU N . 34304 1 461 . 1 1 68 68 ASP H H 1 8.18 0.02 . 1 . . . . A 38 ASP H . 34304 1 462 . 1 1 68 68 ASP HA H 1 4.58 0.02 . 1 . . . . A 38 ASP HA . 34304 1 463 . 1 1 68 68 ASP HB2 H 1 3.09 0.02 . 2 . . . . A 38 ASP HB2 . 34304 1 464 . 1 1 68 68 ASP HB3 H 1 2.88 0.02 . 2 . . . . A 38 ASP HB3 . 34304 1 465 . 1 1 68 68 ASP C C 13 177.69 0.05 . 1 . . . . A 38 ASP C . 34304 1 466 . 1 1 68 68 ASP CA C 13 57.16 0.05 . 1 . . . . A 38 ASP CA . 34304 1 467 . 1 1 68 68 ASP CB C 13 42.37 0.05 . 1 . . . . A 38 ASP CB . 34304 1 468 . 1 1 68 68 ASP N N 15 120.00 0.05 . 1 . . . . A 38 ASP N . 34304 1 469 . 1 1 69 69 LYS H H 1 7.33 0.02 . 1 . . . . A 39 LYS H . 34304 1 470 . 1 1 69 69 LYS HA H 1 4.45 0.02 . 1 . . . . A 39 LYS HA . 34304 1 471 . 1 1 69 69 LYS HB2 H 1 1.96 0.02 . 1 . . . . A 39 LYS HB2 . 34304 1 472 . 1 1 69 69 LYS HB3 H 1 2.12 0.02 . 1 . . . . A 39 LYS HB3 . 34304 1 473 . 1 1 69 69 LYS HG2 H 1 1.72 0.02 . 2 . . . . A 39 LYS HG2 . 34304 1 474 . 1 1 69 69 LYS HG3 H 1 1.51 0.02 . 2 . . . . A 39 LYS HG3 . 34304 1 475 . 1 1 69 69 LYS HD2 H 1 1.78 0.02 . 2 . . . . A 39 LYS HD2 . 34304 1 476 . 1 1 69 69 LYS HD3 H 1 1.55 0.02 . 2 . . . . A 39 LYS HD3 . 34304 1 477 . 1 1 69 69 LYS HE2 H 1 3.13 0.02 . 1 . . . . A 39 LYS HE2 . 34304 1 478 . 1 1 69 69 LYS HE3 H 1 3.13 0.02 . 1 . . . . A 39 LYS HE3 . 34304 1 479 . 1 1 69 69 LYS C C 13 176.36 0.05 . 1 . . . . A 39 LYS C . 34304 1 480 . 1 1 69 69 LYS CA C 13 55.47 0.05 . 1 . . . . A 39 LYS CA . 34304 1 481 . 1 1 69 69 LYS CB C 13 33.13 0.05 . 1 . . . . A 39 LYS CB . 34304 1 482 . 1 1 69 69 LYS CG C 13 24.88 0.05 . 1 . . . . A 39 LYS CG . 34304 1 483 . 1 1 69 69 LYS CD C 13 29.00 0.05 . 1 . . . . A 39 LYS CD . 34304 1 484 . 1 1 69 69 LYS CE C 13 42.55 0.05 . 1 . . . . A 39 LYS CE . 34304 1 485 . 1 1 69 69 LYS N N 15 113.20 0.05 . 1 . . . . A 39 LYS N . 34304 1 486 . 1 1 70 70 TYR H H 1 7.59 0.02 . 1 . . . . A 40 TYR H . 34304 1 487 . 1 1 70 70 TYR HA H 1 5.06 0.02 . 1 . . . . A 40 TYR HA . 34304 1 488 . 1 1 70 70 TYR HB2 H 1 3.15 0.02 . 1 . . . . A 40 TYR HB2 . 34304 1 489 . 1 1 70 70 TYR HB3 H 1 3.42 0.02 . 1 . . . . A 40 TYR HB3 . 34304 1 490 . 1 1 70 70 TYR HD1 H 1 7.50 0.02 . 1 . . . . A 40 TYR HD1 . 34304 1 491 . 1 1 70 70 TYR HD2 H 1 7.50 0.02 . 1 . . . . A 40 TYR HD2 . 34304 1 492 . 1 1 70 70 TYR HE1 H 1 6.92 0.02 . 1 . . . . A 40 TYR HE1 . 34304 1 493 . 1 1 70 70 TYR HE2 H 1 6.92 0.02 . 1 . . . . A 40 TYR HE2 . 34304 1 494 . 1 1 70 70 TYR CA C 13 55.63 0.05 . 1 . . . . A 40 TYR CA . 34304 1 495 . 1 1 70 70 TYR CB C 13 39.72 0.05 . 1 . . . . A 40 TYR CB . 34304 1 496 . 1 1 70 70 TYR CD1 C 13 133.65 0.05 . 1 . . . . A 40 TYR CD1 . 34304 1 497 . 1 1 70 70 TYR CD2 C 13 133.65 0.05 . 1 . . . . A 40 TYR CD2 . 34304 1 498 . 1 1 70 70 TYR CE1 C 13 118.51 0.05 . 1 . . . . A 40 TYR CE1 . 34304 1 499 . 1 1 70 70 TYR CE2 C 13 118.51 0.05 . 1 . . . . A 40 TYR CE2 . 34304 1 500 . 1 1 70 70 TYR N N 15 124.85 0.05 . 1 . . . . A 40 TYR N . 34304 1 501 . 1 1 71 71 PRO HA H 1 4.46 0.02 . 1 . . . . A 41 PRO HA . 34304 1 502 . 1 1 71 71 PRO HB2 H 1 1.89 0.02 . 2 . . . . A 41 PRO HB2 . 34304 1 503 . 1 1 71 71 PRO HB3 H 1 1.79 0.02 . 2 . . . . A 41 PRO HB3 . 34304 1 504 . 1 1 71 71 PRO HG2 H 1 1.90 0.02 . 2 . . . . A 41 PRO HG2 . 34304 1 505 . 1 1 71 71 PRO HG3 H 1 1.11 0.02 . 2 . . . . A 41 PRO HG3 . 34304 1 506 . 1 1 71 71 PRO HD2 H 1 3.95 0.02 . 2 . . . . A 41 PRO HD2 . 34304 1 507 . 1 1 71 71 PRO HD3 H 1 3.07 0.02 . 2 . . . . A 41 PRO HD3 . 34304 1 508 . 1 1 71 71 PRO CA C 13 64.12 0.05 . 1 . . . . A 41 PRO CA . 34304 1 509 . 1 1 71 71 PRO CB C 13 30.61 0.05 . 1 . . . . A 41 PRO CB . 34304 1 510 . 1 1 71 71 PRO CG C 13 26.46 0.05 . 1 . . . . A 41 PRO CG . 34304 1 511 . 1 1 71 71 PRO CD C 13 50.82 0.05 . 1 . . . . A 41 PRO CD . 34304 1 512 . 1 1 72 72 HIS H H 1 6.57 0.02 . 1 . . . . A 42 HIS H . 34304 1 513 . 1 1 72 72 HIS HA H 1 4.80 0.02 . 1 . . . . A 42 HIS HA . 34304 1 514 . 1 1 72 72 HIS HB2 H 1 2.75 0.02 . 1 . . . . A 42 HIS HB2 . 34304 1 515 . 1 1 72 72 HIS HB3 H 1 3.14 0.02 . 1 . . . . A 42 HIS HB3 . 34304 1 516 . 1 1 72 72 HIS HD2 H 1 6.92 0.02 . 1 . . . . A 42 HIS HD2 . 34304 1 517 . 1 1 72 72 HIS C C 13 173.65 0.05 . 1 . . . . A 42 HIS C . 34304 1 518 . 1 1 72 72 HIS CA C 13 53.83 0.05 . 1 . . . . A 42 HIS CA . 34304 1 519 . 1 1 72 72 HIS CB C 13 32.71 0.05 . 1 . . . . A 42 HIS CB . 34304 1 520 . 1 1 72 72 HIS CD2 C 13 118.96 0.05 . 1 . . . . A 42 HIS CD2 . 34304 1 521 . 1 1 72 72 HIS N N 15 116.11 0.05 . 1 . . . . A 42 HIS N . 34304 1 522 . 1 1 73 73 LYS H H 1 8.92 0.02 . 1 . . . . A 43 LYS H . 34304 1 523 . 1 1 73 73 LYS HA H 1 4.38 0.02 . 1 . . . . A 43 LYS HA . 34304 1 524 . 1 1 73 73 LYS HB2 H 1 1.96 0.02 . 2 . . . . A 43 LYS HB2 . 34304 1 525 . 1 1 73 73 LYS HB3 H 1 1.89 0.02 . 2 . . . . A 43 LYS HB3 . 34304 1 526 . 1 1 73 73 LYS HG2 H 1 1.54 0.02 . 2 . . . . A 43 LYS HG2 . 34304 1 527 . 1 1 73 73 LYS HG3 H 1 1.47 0.02 . 2 . . . . A 43 LYS HG3 . 34304 1 528 . 1 1 73 73 LYS HD2 H 1 1.78 0.02 . 1 . . . . A 43 LYS HD2 . 34304 1 529 . 1 1 73 73 LYS HD3 H 1 1.78 0.02 . 1 . . . . A 43 LYS HD3 . 34304 1 530 . 1 1 73 73 LYS HE2 H 1 3.22 0.02 . 1 . . . . A 43 LYS HE2 . 34304 1 531 . 1 1 73 73 LYS HE3 H 1 3.22 0.02 . 1 . . . . A 43 LYS HE3 . 34304 1 532 . 1 1 73 73 LYS C C 13 176.45 0.05 . 1 . . . . A 43 LYS C . 34304 1 533 . 1 1 73 73 LYS CA C 13 56.76 0.05 . 1 . . . . A 43 LYS CA . 34304 1 534 . 1 1 73 73 LYS CB C 13 33.07 0.05 . 1 . . . . A 43 LYS CB . 34304 1 535 . 1 1 73 73 LYS CG C 13 25.30 0.05 . 1 . . . . A 43 LYS CG . 34304 1 536 . 1 1 73 73 LYS CD C 13 29.67 0.05 . 1 . . . . A 43 LYS CD . 34304 1 537 . 1 1 73 73 LYS CE C 13 42.19 0.05 . 1 . . . . A 43 LYS CE . 34304 1 538 . 1 1 73 73 LYS N N 15 123.21 0.05 . 1 . . . . A 43 LYS N . 34304 1 539 . 1 1 74 74 ILE H H 1 9.10 0.02 . 1 . . . . A 44 ILE H . 34304 1 540 . 1 1 74 74 ILE HA H 1 4.41 0.02 . 1 . . . . A 44 ILE HA . 34304 1 541 . 1 1 74 74 ILE HB H 1 2.01 0.02 . 1 . . . . A 44 ILE HB . 34304 1 542 . 1 1 74 74 ILE HG12 H 1 1.55 0.02 . 1 . . . . A 44 ILE HG12 . 34304 1 543 . 1 1 74 74 ILE HG13 H 1 1.69 0.02 . 1 . . . . A 44 ILE HG13 . 34304 1 544 . 1 1 74 74 ILE HG21 H 1 0.98 0.02 . 1 . . . . A 44 ILE HG21 . 34304 1 545 . 1 1 74 74 ILE HG22 H 1 0.98 0.02 . 1 . . . . A 44 ILE HG22 . 34304 1 546 . 1 1 74 74 ILE HG23 H 1 0.98 0.02 . 1 . . . . A 44 ILE HG23 . 34304 1 547 . 1 1 74 74 ILE HD11 H 1 0.82 0.02 . 1 . . . . A 44 ILE HD11 . 34304 1 548 . 1 1 74 74 ILE HD12 H 1 0.82 0.02 . 1 . . . . A 44 ILE HD12 . 34304 1 549 . 1 1 74 74 ILE HD13 H 1 0.82 0.02 . 1 . . . . A 44 ILE HD13 . 34304 1 550 . 1 1 74 74 ILE C C 13 176.49 0.05 . 1 . . . . A 44 ILE C . 34304 1 551 . 1 1 74 74 ILE CA C 13 59.72 0.05 . 1 . . . . A 44 ILE CA . 34304 1 552 . 1 1 74 74 ILE CB C 13 37.21 0.05 . 1 . . . . A 44 ILE CB . 34304 1 553 . 1 1 74 74 ILE CG1 C 13 27.17 0.05 . 1 . . . . A 44 ILE CG1 . 34304 1 554 . 1 1 74 74 ILE CG2 C 13 18.48 0.05 . 1 . . . . A 44 ILE CG2 . 34304 1 555 . 1 1 74 74 ILE CD1 C 13 11.32 0.05 . 1 . . . . A 44 ILE CD1 . 34304 1 556 . 1 1 74 74 ILE N N 15 129.79 0.05 . 1 . . . . A 44 ILE N . 34304 1 557 . 1 1 75 75 LYS H H 1 9.19 0.02 . 1 . . . . A 45 LYS H . 34304 1 558 . 1 1 75 75 LYS HA H 1 4.60 0.02 . 1 . . . . A 45 LYS HA . 34304 1 559 . 1 1 75 75 LYS HB2 H 1 2.03 0.02 . 1 . . . . A 45 LYS HB2 . 34304 1 560 . 1 1 75 75 LYS HB3 H 1 2.05 0.02 . 1 . . . . A 45 LYS HB3 . 34304 1 561 . 1 1 75 75 LYS HG2 H 1 1.59 0.02 . 1 . . . . A 45 LYS HG2 . 34304 1 562 . 1 1 75 75 LYS HG3 H 1 1.59 0.02 . 1 . . . . A 45 LYS HG3 . 34304 1 563 . 1 1 75 75 LYS HD2 H 1 1.78 0.02 . 1 . . . . A 45 LYS HD2 . 34304 1 564 . 1 1 75 75 LYS HD3 H 1 1.78 0.02 . 1 . . . . A 45 LYS HD3 . 34304 1 565 . 1 1 75 75 LYS HE2 H 1 3.15 0.02 . 1 . . . . A 45 LYS HE2 . 34304 1 566 . 1 1 75 75 LYS HE3 H 1 3.15 0.02 . 1 . . . . A 45 LYS HE3 . 34304 1 567 . 1 1 75 75 LYS C C 13 175.61 0.05 . 1 . . . . A 45 LYS C . 34304 1 568 . 1 1 75 75 LYS CA C 13 56.30 0.05 . 1 . . . . A 45 LYS CA . 34304 1 569 . 1 1 75 75 LYS CB C 13 33.47 0.05 . 1 . . . . A 45 LYS CB . 34304 1 570 . 1 1 75 75 LYS CG C 13 24.79 0.05 . 1 . . . . A 45 LYS CG . 34304 1 571 . 1 1 75 75 LYS CD C 13 28.93 0.05 . 1 . . . . A 45 LYS CD . 34304 1 572 . 1 1 75 75 LYS CE C 13 42.66 0.05 . 1 . . . . A 45 LYS CE . 34304 1 573 . 1 1 75 75 LYS N N 15 125.11 0.05 . 1 . . . . A 45 LYS N . 34304 1 574 . 1 1 76 76 SER H H 1 7.55 0.02 . 1 . . . . A 46 SER H . 34304 1 575 . 1 1 76 76 SER HA H 1 4.65 0.02 . 1 . . . . A 46 SER HA . 34304 1 576 . 1 1 76 76 SER HB2 H 1 4.34 0.02 . 1 . . . . A 46 SER HB2 . 34304 1 577 . 1 1 76 76 SER HB3 H 1 4.14 0.02 . 1 . . . . A 46 SER HB3 . 34304 1 578 . 1 1 76 76 SER C C 13 174.03 0.05 . 1 . . . . A 46 SER C . 34304 1 579 . 1 1 76 76 SER CA C 13 57.43 0.05 . 1 . . . . A 46 SER CA . 34304 1 580 . 1 1 76 76 SER CB C 13 65.91 0.05 . 1 . . . . A 46 SER CB . 34304 1 581 . 1 1 76 76 SER N N 15 110.39 0.05 . 1 . . . . A 46 SER N . 34304 1 582 . 1 1 77 77 GLY H H 1 10.09 0.02 . 1 . . . . A 47 GLY H . 34304 1 583 . 1 1 77 77 GLY HA2 H 1 4.12 0.02 . 1 . . . . A 47 GLY HA2 . 34304 1 584 . 1 1 77 77 GLY HA3 H 1 3.66 0.02 . 1 . . . . A 47 GLY HA3 . 34304 1 585 . 1 1 77 77 GLY C C 13 175.59 0.05 . 1 . . . . A 47 GLY C . 34304 1 586 . 1 1 77 77 GLY CA C 13 47.64 0.05 . 1 . . . . A 47 GLY CA . 34304 1 587 . 1 1 77 77 GLY N N 15 112.38 0.05 . 1 . . . . A 47 GLY N . 34304 1 588 . 1 1 78 78 ALA H H 1 8.56 0.02 . 1 . . . . A 48 ALA H . 34304 1 589 . 1 1 78 78 ALA HA H 1 4.04 0.02 . 1 . . . . A 48 ALA HA . 34304 1 590 . 1 1 78 78 ALA HB1 H 1 1.53 0.02 . 1 . . . . A 48 ALA HB1 . 34304 1 591 . 1 1 78 78 ALA HB2 H 1 1.53 0.02 . 1 . . . . A 48 ALA HB2 . 34304 1 592 . 1 1 78 78 ALA HB3 H 1 1.53 0.02 . 1 . . . . A 48 ALA HB3 . 34304 1 593 . 1 1 78 78 ALA C C 13 180.59 0.05 . 1 . . . . A 48 ALA C . 34304 1 594 . 1 1 78 78 ALA CA C 13 55.22 0.05 . 1 . . . . A 48 ALA CA . 34304 1 595 . 1 1 78 78 ALA CB C 13 18.10 0.05 . 1 . . . . A 48 ALA CB . 34304 1 596 . 1 1 78 78 ALA N N 15 123.22 0.05 . 1 . . . . A 48 ALA N . 34304 1 597 . 1 1 79 79 GLU H H 1 7.64 0.02 . 1 . . . . A 49 GLU H . 34304 1 598 . 1 1 79 79 GLU HA H 1 4.07 0.02 . 1 . . . . A 49 GLU HA . 34304 1 599 . 1 1 79 79 GLU HB2 H 1 2.29 0.02 . 1 . . . . A 49 GLU HB2 . 34304 1 600 . 1 1 79 79 GLU HB3 H 1 2.24 0.02 . 1 . . . . A 49 GLU HB3 . 34304 1 601 . 1 1 79 79 GLU HG2 H 1 2.47 0.02 . 1 . . . . A 49 GLU HG2 . 34304 1 602 . 1 1 79 79 GLU HG3 H 1 2.47 0.02 . 1 . . . . A 49 GLU HG3 . 34304 1 603 . 1 1 79 79 GLU C C 13 178.86 0.05 . 1 . . . . A 49 GLU C . 34304 1 604 . 1 1 79 79 GLU CA C 13 58.68 0.05 . 1 . . . . A 49 GLU CA . 34304 1 605 . 1 1 79 79 GLU CB C 13 30.33 0.05 . 1 . . . . A 49 GLU CB . 34304 1 606 . 1 1 79 79 GLU CG C 13 36.77 0.05 . 1 . . . . A 49 GLU CG . 34304 1 607 . 1 1 79 79 GLU N N 15 116.28 0.05 . 1 . . . . A 49 GLU N . 34304 1 608 . 1 1 80 80 ALA H H 1 7.52 0.02 . 1 . . . . A 50 ALA H . 34304 1 609 . 1 1 80 80 ALA HA H 1 4.01 0.02 . 1 . . . . A 50 ALA HA . 34304 1 610 . 1 1 80 80 ALA HB1 H 1 1.51 0.02 . 1 . . . . A 50 ALA HB1 . 34304 1 611 . 1 1 80 80 ALA HB2 H 1 1.51 0.02 . 1 . . . . A 50 ALA HB2 . 34304 1 612 . 1 1 80 80 ALA HB3 H 1 1.51 0.02 . 1 . . . . A 50 ALA HB3 . 34304 1 613 . 1 1 80 80 ALA C C 13 177.52 0.05 . 1 . . . . A 50 ALA C . 34304 1 614 . 1 1 80 80 ALA CA C 13 54.08 0.05 . 1 . . . . A 50 ALA CA . 34304 1 615 . 1 1 80 80 ALA CB C 13 18.88 0.05 . 1 . . . . A 50 ALA CB . 34304 1 616 . 1 1 80 80 ALA N N 15 120.33 0.05 . 1 . . . . A 50 ALA N . 34304 1 617 . 1 1 81 81 LYS H H 1 7.79 0.02 . 1 . . . . A 51 LYS H . 34304 1 618 . 1 1 81 81 LYS HA H 1 4.08 0.02 . 1 . . . . A 51 LYS HA . 34304 1 619 . 1 1 81 81 LYS HB2 H 1 1.90 0.02 . 1 . . . . A 51 LYS HB2 . 34304 1 620 . 1 1 81 81 LYS HB3 H 1 1.90 0.02 . 1 . . . . A 51 LYS HB3 . 34304 1 621 . 1 1 81 81 LYS HG2 H 1 1.58 0.02 . 1 . . . . A 51 LYS HG2 . 34304 1 622 . 1 1 81 81 LYS HG3 H 1 1.58 0.02 . 1 . . . . A 51 LYS HG3 . 34304 1 623 . 1 1 81 81 LYS HD2 H 1 1.71 0.02 . 1 . . . . A 51 LYS HD2 . 34304 1 624 . 1 1 81 81 LYS HD3 H 1 1.71 0.02 . 1 . . . . A 51 LYS HD3 . 34304 1 625 . 1 1 81 81 LYS HE2 H 1 2.98 0.02 . 1 . . . . A 51 LYS HE2 . 34304 1 626 . 1 1 81 81 LYS HE3 H 1 2.98 0.02 . 1 . . . . A 51 LYS HE3 . 34304 1 627 . 1 1 81 81 LYS C C 13 176.38 0.05 . 1 . . . . A 51 LYS C . 34304 1 628 . 1 1 81 81 LYS CA C 13 57.94 0.05 . 1 . . . . A 51 LYS CA . 34304 1 629 . 1 1 81 81 LYS CB C 13 32.31 0.05 . 1 . . . . A 51 LYS CB . 34304 1 630 . 1 1 81 81 LYS CG C 13 25.19 0.05 . 1 . . . . A 51 LYS CG . 34304 1 631 . 1 1 81 81 LYS CD C 13 29.36 0.05 . 1 . . . . A 51 LYS CD . 34304 1 632 . 1 1 81 81 LYS CE C 13 42.18 0.05 . 1 . . . . A 51 LYS CE . 34304 1 633 . 1 1 81 81 LYS N N 15 113.88 0.05 . 1 . . . . A 51 LYS N . 34304 1 634 . 1 1 82 82 LYS H H 1 7.11 0.02 . 1 . . . . A 52 LYS H . 34304 1 635 . 1 1 82 82 LYS HA H 1 4.30 0.02 . 1 . . . . A 52 LYS HA . 34304 1 636 . 1 1 82 82 LYS HB2 H 1 1.85 0.02 . 1 . . . . A 52 LYS HB2 . 34304 1 637 . 1 1 82 82 LYS HB3 H 1 2.05 0.02 . 1 . . . . A 52 LYS HB3 . 34304 1 638 . 1 1 82 82 LYS HG2 H 1 1.62 0.02 . 2 . . . . A 52 LYS HG2 . 34304 1 639 . 1 1 82 82 LYS HG3 H 1 1.59 0.02 . 2 . . . . A 52 LYS HG3 . 34304 1 640 . 1 1 82 82 LYS HD2 H 1 1.77 0.02 . 1 . . . . A 52 LYS HD2 . 34304 1 641 . 1 1 82 82 LYS HD3 H 1 1.77 0.02 . 1 . . . . A 52 LYS HD3 . 34304 1 642 . 1 1 82 82 LYS HE2 H 1 3.11 0.02 . 1 . . . . A 52 LYS HE2 . 34304 1 643 . 1 1 82 82 LYS HE3 H 1 3.11 0.02 . 1 . . . . A 52 LYS HE3 . 34304 1 644 . 1 1 82 82 LYS C C 13 176.82 0.05 . 1 . . . . A 52 LYS C . 34304 1 645 . 1 1 82 82 LYS CA C 13 56.60 0.05 . 1 . . . . A 52 LYS CA . 34304 1 646 . 1 1 82 82 LYS CB C 13 32.45 0.05 . 1 . . . . A 52 LYS CB . 34304 1 647 . 1 1 82 82 LYS CG C 13 25.05 0.05 . 1 . . . . A 52 LYS CG . 34304 1 648 . 1 1 82 82 LYS CD C 13 29.12 0.05 . 1 . . . . A 52 LYS CD . 34304 1 649 . 1 1 82 82 LYS CE C 13 42.14 0.05 . 1 . . . . A 52 LYS CE . 34304 1 650 . 1 1 82 82 LYS N N 15 115.44 0.05 . 1 . . . . A 52 LYS N . 34304 1 651 . 1 1 83 83 LEU H H 1 7.77 0.02 . 1 . . . . A 53 LEU H . 34304 1 652 . 1 1 83 83 LEU HA H 1 4.56 0.02 . 1 . . . . A 53 LEU HA . 34304 1 653 . 1 1 83 83 LEU HB2 H 1 1.94 0.02 . 1 . . . . A 53 LEU HB2 . 34304 1 654 . 1 1 83 83 LEU HB3 H 1 1.23 0.02 . 1 . . . . A 53 LEU HB3 . 34304 1 655 . 1 1 83 83 LEU HG H 1 1.56 0.02 . 1 . . . . A 53 LEU HG . 34304 1 656 . 1 1 83 83 LEU HD11 H 1 0.46 0.02 . 1 . . . . A 53 LEU HD11 . 34304 1 657 . 1 1 83 83 LEU HD12 H 1 0.46 0.02 . 1 . . . . A 53 LEU HD12 . 34304 1 658 . 1 1 83 83 LEU HD13 H 1 0.46 0.02 . 1 . . . . A 53 LEU HD13 . 34304 1 659 . 1 1 83 83 LEU HD21 H 1 0.50 0.02 . 1 . . . . A 53 LEU HD21 . 34304 1 660 . 1 1 83 83 LEU HD22 H 1 0.50 0.02 . 1 . . . . A 53 LEU HD22 . 34304 1 661 . 1 1 83 83 LEU HD23 H 1 0.50 0.02 . 1 . . . . A 53 LEU HD23 . 34304 1 662 . 1 1 83 83 LEU CA C 13 52.76 0.05 . 1 . . . . A 53 LEU CA . 34304 1 663 . 1 1 83 83 LEU CB C 13 40.19 0.05 . 1 . . . . A 53 LEU CB . 34304 1 664 . 1 1 83 83 LEU CG C 13 27.24 0.05 . 1 . . . . A 53 LEU CG . 34304 1 665 . 1 1 83 83 LEU CD1 C 13 24.88 0.05 . 1 . . . . A 53 LEU CD1 . 34304 1 666 . 1 1 83 83 LEU CD2 C 13 22.60 0.05 . 1 . . . . A 53 LEU CD2 . 34304 1 667 . 1 1 83 83 LEU N N 15 122.31 0.05 . 1 . . . . A 53 LEU N . 34304 1 668 . 1 1 84 84 PRO HA H 1 4.36 0.02 . 1 . . . . A 54 PRO HA . 34304 1 669 . 1 1 84 84 PRO HB2 H 1 2.37 0.02 . 2 . . . . A 54 PRO HB2 . 34304 1 670 . 1 1 84 84 PRO HB3 H 1 2.04 0.02 . 2 . . . . A 54 PRO HB3 . 34304 1 671 . 1 1 84 84 PRO HG2 H 1 2.26 0.02 . 2 . . . . A 54 PRO HG2 . 34304 1 672 . 1 1 84 84 PRO HG3 H 1 2.12 0.02 . 2 . . . . A 54 PRO HG3 . 34304 1 673 . 1 1 84 84 PRO HD2 H 1 4.01 0.02 . 2 . . . . A 54 PRO HD2 . 34304 1 674 . 1 1 84 84 PRO HD3 H 1 3.63 0.02 . 2 . . . . A 54 PRO HD3 . 34304 1 675 . 1 1 84 84 PRO CA C 13 63.59 0.05 . 1 . . . . A 54 PRO CA . 34304 1 676 . 1 1 84 84 PRO CB C 13 31.61 0.05 . 1 . . . . A 54 PRO CB . 34304 1 677 . 1 1 84 84 PRO CG C 13 27.95 0.05 . 1 . . . . A 54 PRO CG . 34304 1 678 . 1 1 84 84 PRO CD C 13 50.35 0.05 . 1 . . . . A 54 PRO CD . 34304 1 679 . 1 1 85 85 GLY H H 1 8.53 0.02 . 1 . . . . A 55 GLY H . 34304 1 680 . 1 1 85 85 GLY HA2 H 1 4.16 0.02 . 1 . . . . A 55 GLY HA2 . 34304 1 681 . 1 1 85 85 GLY HA3 H 1 3.75 0.02 . 1 . . . . A 55 GLY HA3 . 34304 1 682 . 1 1 85 85 GLY C C 13 174.20 0.05 . 1 . . . . A 55 GLY C . 34304 1 683 . 1 1 85 85 GLY CA C 13 45.50 0.05 . 1 . . . . A 55 GLY CA . 34304 1 684 . 1 1 85 85 GLY N N 15 109.56 0.05 . 1 . . . . A 55 GLY N . 34304 1 685 . 1 1 86 86 VAL H H 1 7.43 0.02 . 1 . . . . A 56 VAL H . 34304 1 686 . 1 1 86 86 VAL HA H 1 3.99 0.02 . 1 . . . . A 56 VAL HA . 34304 1 687 . 1 1 86 86 VAL HB H 1 2.33 0.02 . 1 . . . . A 56 VAL HB . 34304 1 688 . 1 1 86 86 VAL HG11 H 1 0.78 0.02 . 1 . . . . A 56 VAL HG11 . 34304 1 689 . 1 1 86 86 VAL HG12 H 1 0.78 0.02 . 1 . . . . A 56 VAL HG12 . 34304 1 690 . 1 1 86 86 VAL HG13 H 1 0.78 0.02 . 1 . . . . A 56 VAL HG13 . 34304 1 691 . 1 1 86 86 VAL HG21 H 1 0.79 0.02 . 1 . . . . A 56 VAL HG21 . 34304 1 692 . 1 1 86 86 VAL HG22 H 1 0.79 0.02 . 1 . . . . A 56 VAL HG22 . 34304 1 693 . 1 1 86 86 VAL HG23 H 1 0.79 0.02 . 1 . . . . A 56 VAL HG23 . 34304 1 694 . 1 1 86 86 VAL C C 13 175.17 0.05 . 1 . . . . A 56 VAL C . 34304 1 695 . 1 1 86 86 VAL CA C 13 63.08 0.05 . 1 . . . . A 56 VAL CA . 34304 1 696 . 1 1 86 86 VAL CB C 13 30.95 0.05 . 1 . . . . A 56 VAL CB . 34304 1 697 . 1 1 86 86 VAL CG1 C 13 21.53 0.05 . 1 . . . . A 56 VAL CG1 . 34304 1 698 . 1 1 86 86 VAL CG2 C 13 21.39 0.05 . 1 . . . . A 56 VAL CG2 . 34304 1 699 . 1 1 86 86 VAL N N 15 121.04 0.05 . 1 . . . . A 56 VAL N . 34304 1 700 . 1 1 87 87 GLY H H 1 7.83 0.02 . 1 . . . . A 57 GLY H . 34304 1 701 . 1 1 87 87 GLY HA2 H 1 4.45 0.02 . 1 . . . . A 57 GLY HA2 . 34304 1 702 . 1 1 87 87 GLY HA3 H 1 3.99 0.02 . 1 . . . . A 57 GLY HA3 . 34304 1 703 . 1 1 87 87 GLY CA C 13 44.32 0.05 . 1 . . . . A 57 GLY CA . 34304 1 704 . 1 1 87 87 GLY N N 15 112.39 0.05 . 1 . . . . A 57 GLY N . 34304 1 705 . 1 1 88 88 THR HA H 1 3.82 0.02 . 1 . . . . A 58 THR HA . 34304 1 706 . 1 1 88 88 THR HB H 1 4.20 0.02 . 1 . . . . A 58 THR HB . 34304 1 707 . 1 1 88 88 THR HG21 H 1 1.32 0.02 . 1 . . . . A 58 THR HG21 . 34304 1 708 . 1 1 88 88 THR HG22 H 1 1.32 0.02 . 1 . . . . A 58 THR HG22 . 34304 1 709 . 1 1 88 88 THR HG23 H 1 1.32 0.02 . 1 . . . . A 58 THR HG23 . 34304 1 710 . 1 1 88 88 THR C C 13 176.14 0.05 . 1 . . . . A 58 THR C . 34304 1 711 . 1 1 88 88 THR CA C 13 66.87 0.05 . 1 . . . . A 58 THR CA . 34304 1 712 . 1 1 88 88 THR CB C 13 68.77 0.05 . 1 . . . . A 58 THR CB . 34304 1 713 . 1 1 88 88 THR CG2 C 13 22.13 0.05 . 1 . . . . A 58 THR CG2 . 34304 1 714 . 1 1 89 89 LYS H H 1 8.60 0.02 . 1 . . . . A 59 LYS H . 34304 1 715 . 1 1 89 89 LYS HA H 1 4.16 0.02 . 1 . . . . A 59 LYS HA . 34304 1 716 . 1 1 89 89 LYS HB2 H 1 1.90 0.02 . 2 . . . . A 59 LYS HB2 . 34304 1 717 . 1 1 89 89 LYS HB3 H 1 1.80 0.02 . 2 . . . . A 59 LYS HB3 . 34304 1 718 . 1 1 89 89 LYS HG2 H 1 1.55 0.02 . 2 . . . . A 59 LYS HG2 . 34304 1 719 . 1 1 89 89 LYS HG3 H 1 1.43 0.02 . 2 . . . . A 59 LYS HG3 . 34304 1 720 . 1 1 89 89 LYS HD2 H 1 1.70 0.02 . 1 . . . . A 59 LYS HD2 . 34304 1 721 . 1 1 89 89 LYS HD3 H 1 1.70 0.02 . 1 . . . . A 59 LYS HD3 . 34304 1 722 . 1 1 89 89 LYS HE2 H 1 2.96 0.02 . 1 . . . . A 59 LYS HE2 . 34304 1 723 . 1 1 89 89 LYS HE3 H 1 2.96 0.02 . 1 . . . . A 59 LYS HE3 . 34304 1 724 . 1 1 89 89 LYS C C 13 178.90 0.05 . 1 . . . . A 59 LYS C . 34304 1 725 . 1 1 89 89 LYS CA C 13 59.32 0.05 . 1 . . . . A 59 LYS CA . 34304 1 726 . 1 1 89 89 LYS CB C 13 31.83 0.05 . 1 . . . . A 59 LYS CB . 34304 1 727 . 1 1 89 89 LYS CG C 13 24.86 0.05 . 1 . . . . A 59 LYS CG . 34304 1 728 . 1 1 89 89 LYS CD C 13 29.22 0.05 . 1 . . . . A 59 LYS CD . 34304 1 729 . 1 1 89 89 LYS CE C 13 42.22 0.05 . 1 . . . . A 59 LYS CE . 34304 1 730 . 1 1 89 89 LYS N N 15 120.49 0.05 . 1 . . . . A 59 LYS N . 34304 1 731 . 1 1 90 90 ILE H H 1 7.33 0.02 . 1 . . . . A 60 ILE H . 34304 1 732 . 1 1 90 90 ILE HA H 1 3.74 0.02 . 1 . . . . A 60 ILE HA . 34304 1 733 . 1 1 90 90 ILE HB H 1 2.10 0.02 . 1 . . . . A 60 ILE HB . 34304 1 734 . 1 1 90 90 ILE HG12 H 1 1.42 0.02 . 2 . . . . A 60 ILE HG12 . 34304 1 735 . 1 1 90 90 ILE HG13 H 1 1.32 0.02 . 2 . . . . A 60 ILE HG13 . 34304 1 736 . 1 1 90 90 ILE HG21 H 1 0.90 0.02 . 1 . . . . A 60 ILE HG21 . 34304 1 737 . 1 1 90 90 ILE HG22 H 1 0.90 0.02 . 1 . . . . A 60 ILE HG22 . 34304 1 738 . 1 1 90 90 ILE HG23 H 1 0.90 0.02 . 1 . . . . A 60 ILE HG23 . 34304 1 739 . 1 1 90 90 ILE HD11 H 1 0.46 0.02 . 1 . . . . A 60 ILE HD11 . 34304 1 740 . 1 1 90 90 ILE HD12 H 1 0.46 0.02 . 1 . . . . A 60 ILE HD12 . 34304 1 741 . 1 1 90 90 ILE HD13 H 1 0.46 0.02 . 1 . . . . A 60 ILE HD13 . 34304 1 742 . 1 1 90 90 ILE C C 13 177.70 0.05 . 1 . . . . A 60 ILE C . 34304 1 743 . 1 1 90 90 ILE CA C 13 63.14 0.05 . 1 . . . . A 60 ILE CA . 34304 1 744 . 1 1 90 90 ILE CB C 13 35.79 0.05 . 1 . . . . A 60 ILE CB . 34304 1 745 . 1 1 90 90 ILE CG1 C 13 28.93 0.05 . 1 . . . . A 60 ILE CG1 . 34304 1 746 . 1 1 90 90 ILE CG2 C 13 18.78 0.05 . 1 . . . . A 60 ILE CG2 . 34304 1 747 . 1 1 90 90 ILE CD1 C 13 11.28 0.05 . 1 . . . . A 60 ILE CD1 . 34304 1 748 . 1 1 90 90 ILE N N 15 117.92 0.05 . 1 . . . . A 60 ILE N . 34304 1 stop_ save_