data_53344 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53344 _Entry.Title ; 1H, 13C and 15N backbone resonance assignments of the exonuclease protein SNase. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-09-11 _Entry.Accession_date 2025-09-11 _Entry.Last_release_date 2025-09-11 _Entry.Original_release_date 2025-09-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Tejaswi Koduru . . . . 53344 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53344 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 373 53344 '15N chemical shifts' 120 53344 '1H chemical shifts' 239 53344 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-08-03 . original BMRB . 53344 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53343 '1H, 13C and 15N backbone resonance assignments of the exonuclease protein CNase.' 53344 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53344 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41443464 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Adaptation of Folding and Function of a Nuclease from the Cold Deep Sea ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 438 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 169602 _Citation.Page_last 169602 _Citation.Year 2026 _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 Tejaswi Koduru T. . . . 53344 1 2 Philippe Barthe P. . . . 53344 1 3 Noam Hantman N. . . . 53344 1 4 Karine 'De Guillen' K. . . . 53344 1 5 Scott McCallum S. A. . . 53344 1 6 Joel Morgan J. E. . . 53344 1 7 Estella Yee E. F. . . 53344 1 8 Pierce Leonardi P. . . . 53344 1 9 Jack Foland J. . . . 53344 1 10 Christian Roumestand C. . . . 53344 1 11 Catherine Royer C. A. . . 53344 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53344 _Assembly.ID 1 _Assembly.Name SNASE _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 SNASE 1 $entity_1 . . yes native no no . . . 53344 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53344 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATSTKKLHKEPATLIKAIDG DTVKLMYKGQPMTFRLLLVD TPETKHPKKGVEKYGPEASA FTKKMVENAKKIEVEFDKGQ RTDKYGRGLAYIYADGKMVN EALVRQGLAKVAYVYKPNNT HEQHLRKSEAQAKKEKLNIW SEDNADSGQR ; _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 53344 1 2 . THR . 53344 1 3 . SER . 53344 1 4 . THR . 53344 1 5 . LYS . 53344 1 6 . LYS . 53344 1 7 . LEU . 53344 1 8 . HIS . 53344 1 9 . LYS . 53344 1 10 . GLU . 53344 1 11 . PRO . 53344 1 12 . ALA . 53344 1 13 . THR . 53344 1 14 . LEU . 53344 1 15 . ILE . 53344 1 16 . LYS . 53344 1 17 . ALA . 53344 1 18 . ILE . 53344 1 19 . ASP . 53344 1 20 . GLY . 53344 1 21 . ASP . 53344 1 22 . THR . 53344 1 23 . VAL . 53344 1 24 . LYS . 53344 1 25 . LEU . 53344 1 26 . MET . 53344 1 27 . TYR . 53344 1 28 . LYS . 53344 1 29 . GLY . 53344 1 30 . GLN . 53344 1 31 . PRO . 53344 1 32 . MET . 53344 1 33 . THR . 53344 1 34 . PHE . 53344 1 35 . ARG . 53344 1 36 . LEU . 53344 1 37 . LEU . 53344 1 38 . LEU . 53344 1 39 . VAL . 53344 1 40 . ASP . 53344 1 41 . THR . 53344 1 42 . PRO . 53344 1 43 . GLU . 53344 1 44 . THR . 53344 1 45 . LYS . 53344 1 46 . HIS . 53344 1 47 . PRO . 53344 1 48 . LYS . 53344 1 49 . LYS . 53344 1 50 . GLY . 53344 1 51 . VAL . 53344 1 52 . GLU . 53344 1 53 . LYS . 53344 1 54 . TYR . 53344 1 55 . GLY . 53344 1 56 . PRO . 53344 1 57 . GLU . 53344 1 58 . ALA . 53344 1 59 . SER . 53344 1 60 . ALA . 53344 1 61 . PHE . 53344 1 62 . THR . 53344 1 63 . LYS . 53344 1 64 . LYS . 53344 1 65 . MET . 53344 1 66 . VAL . 53344 1 67 . GLU . 53344 1 68 . ASN . 53344 1 69 . ALA . 53344 1 70 . LYS . 53344 1 71 . LYS . 53344 1 72 . ILE . 53344 1 73 . GLU . 53344 1 74 . VAL . 53344 1 75 . GLU . 53344 1 76 . PHE . 53344 1 77 . ASP . 53344 1 78 . LYS . 53344 1 79 . GLY . 53344 1 80 . GLN . 53344 1 81 . ARG . 53344 1 82 . THR . 53344 1 83 . ASP . 53344 1 84 . LYS . 53344 1 85 . TYR . 53344 1 86 . GLY . 53344 1 87 . ARG . 53344 1 88 . GLY . 53344 1 89 . LEU . 53344 1 90 . ALA . 53344 1 91 . TYR . 53344 1 92 . ILE . 53344 1 93 . TYR . 53344 1 94 . ALA . 53344 1 95 . ASP . 53344 1 96 . GLY . 53344 1 97 . LYS . 53344 1 98 . MET . 53344 1 99 . VAL . 53344 1 100 . ASN . 53344 1 101 . GLU . 53344 1 102 . ALA . 53344 1 103 . LEU . 53344 1 104 . VAL . 53344 1 105 . ARG . 53344 1 106 . GLN . 53344 1 107 . GLY . 53344 1 108 . LEU . 53344 1 109 . ALA . 53344 1 110 . LYS . 53344 1 111 . VAL . 53344 1 112 . ALA . 53344 1 113 . TYR . 53344 1 114 . VAL . 53344 1 115 . TYR . 53344 1 116 . LYS . 53344 1 117 . PRO . 53344 1 118 . ASN . 53344 1 119 . ASN . 53344 1 120 . THR . 53344 1 121 . HIS . 53344 1 122 . GLU . 53344 1 123 . GLN . 53344 1 124 . HIS . 53344 1 125 . LEU . 53344 1 126 . ARG . 53344 1 127 . LYS . 53344 1 128 . SER . 53344 1 129 . GLU . 53344 1 130 . ALA . 53344 1 131 . GLN . 53344 1 132 . ALA . 53344 1 133 . LYS . 53344 1 134 . LYS . 53344 1 135 . GLU . 53344 1 136 . LYS . 53344 1 137 . LEU . 53344 1 138 . ASN . 53344 1 139 . ILE . 53344 1 140 . TRP . 53344 1 141 . SER . 53344 1 142 . GLU . 53344 1 143 . ASP . 53344 1 144 . ASN . 53344 1 145 . ALA . 53344 1 146 . ASP . 53344 1 147 . SER . 53344 1 148 . GLY . 53344 1 149 . GLN . 53344 1 150 . ARG . 53344 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 . ALA 1 1 53344 1 . THR 2 2 53344 1 . SER 3 3 53344 1 . THR 4 4 53344 1 . LYS 5 5 53344 1 . LYS 6 6 53344 1 . LEU 7 7 53344 1 . HIS 8 8 53344 1 . LYS 9 9 53344 1 . GLU 10 10 53344 1 . PRO 11 11 53344 1 . ALA 12 12 53344 1 . THR 13 13 53344 1 . LEU 14 14 53344 1 . ILE 15 15 53344 1 . LYS 16 16 53344 1 . ALA 17 17 53344 1 . ILE 18 18 53344 1 . ASP 19 19 53344 1 . GLY 20 20 53344 1 . ASP 21 21 53344 1 . THR 22 22 53344 1 . VAL 23 23 53344 1 . LYS 24 24 53344 1 . LEU 25 25 53344 1 . MET 26 26 53344 1 . TYR 27 27 53344 1 . LYS 28 28 53344 1 . GLY 29 29 53344 1 . GLN 30 30 53344 1 . PRO 31 31 53344 1 . MET 32 32 53344 1 . THR 33 33 53344 1 . PHE 34 34 53344 1 . ARG 35 35 53344 1 . LEU 36 36 53344 1 . LEU 37 37 53344 1 . LEU 38 38 53344 1 . VAL 39 39 53344 1 . ASP 40 40 53344 1 . THR 41 41 53344 1 . PRO 42 42 53344 1 . GLU 43 43 53344 1 . THR 44 44 53344 1 . LYS 45 45 53344 1 . HIS 46 46 53344 1 . PRO 47 47 53344 1 . LYS 48 48 53344 1 . LYS 49 49 53344 1 . GLY 50 50 53344 1 . VAL 51 51 53344 1 . GLU 52 52 53344 1 . LYS 53 53 53344 1 . TYR 54 54 53344 1 . GLY 55 55 53344 1 . PRO 56 56 53344 1 . GLU 57 57 53344 1 . ALA 58 58 53344 1 . SER 59 59 53344 1 . ALA 60 60 53344 1 . PHE 61 61 53344 1 . THR 62 62 53344 1 . LYS 63 63 53344 1 . LYS 64 64 53344 1 . MET 65 65 53344 1 . VAL 66 66 53344 1 . GLU 67 67 53344 1 . ASN 68 68 53344 1 . ALA 69 69 53344 1 . LYS 70 70 53344 1 . LYS 71 71 53344 1 . ILE 72 72 53344 1 . GLU 73 73 53344 1 . VAL 74 74 53344 1 . GLU 75 75 53344 1 . PHE 76 76 53344 1 . ASP 77 77 53344 1 . LYS 78 78 53344 1 . GLY 79 79 53344 1 . GLN 80 80 53344 1 . ARG 81 81 53344 1 . THR 82 82 53344 1 . ASP 83 83 53344 1 . LYS 84 84 53344 1 . TYR 85 85 53344 1 . GLY 86 86 53344 1 . ARG 87 87 53344 1 . GLY 88 88 53344 1 . LEU 89 89 53344 1 . ALA 90 90 53344 1 . TYR 91 91 53344 1 . ILE 92 92 53344 1 . TYR 93 93 53344 1 . ALA 94 94 53344 1 . ASP 95 95 53344 1 . GLY 96 96 53344 1 . LYS 97 97 53344 1 . MET 98 98 53344 1 . VAL 99 99 53344 1 . ASN 100 100 53344 1 . GLU 101 101 53344 1 . ALA 102 102 53344 1 . LEU 103 103 53344 1 . VAL 104 104 53344 1 . ARG 105 105 53344 1 . GLN 106 106 53344 1 . GLY 107 107 53344 1 . LEU 108 108 53344 1 . ALA 109 109 53344 1 . LYS 110 110 53344 1 . VAL 111 111 53344 1 . ALA 112 112 53344 1 . TYR 113 113 53344 1 . VAL 114 114 53344 1 . TYR 115 115 53344 1 . LYS 116 116 53344 1 . PRO 117 117 53344 1 . ASN 118 118 53344 1 . ASN 119 119 53344 1 . THR 120 120 53344 1 . HIS 121 121 53344 1 . GLU 122 122 53344 1 . GLN 123 123 53344 1 . HIS 124 124 53344 1 . LEU 125 125 53344 1 . ARG 126 126 53344 1 . LYS 127 127 53344 1 . SER 128 128 53344 1 . GLU 129 129 53344 1 . ALA 130 130 53344 1 . GLN 131 131 53344 1 . ALA 132 132 53344 1 . LYS 133 133 53344 1 . LYS 134 134 53344 1 . GLU 135 135 53344 1 . LYS 136 136 53344 1 . LEU 137 137 53344 1 . ASN 138 138 53344 1 . ILE 139 139 53344 1 . TRP 140 140 53344 1 . SER 141 141 53344 1 . GLU 142 142 53344 1 . ASP 143 143 53344 1 . ASN 144 144 53344 1 . ALA 145 145 53344 1 . ASP 146 146 53344 1 . SER 147 147 53344 1 . GLY 148 148 53344 1 . GLN 149 149 53344 1 . ARG 150 150 53344 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53344 _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 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 53344 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53344 _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' . . . Escherichia coli . . . plasmid . . pET-24a(+) . . . 53344 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53344 _Sample.ID 1 _Sample.Name Sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 13C/15N _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SNASE '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . M . . . . 53344 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 53344 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53344 _Sample.ID 2 _Sample.Name Sample_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 15N _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SNASE '[U-100% 15N]' . . 1 $entity_1 . . 0.5 . . M . . . . 53344 2 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 53344 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 53344 _Sample_condition_list.ID 1 _Sample_condition_list.Name Conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 53344 1 pH 7.3 . pH 53344 1 pressure 1 . atm 53344 1 temperature 298 . K 53344 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53344 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53344 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53344 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53344 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53344 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53344 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53344 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53344 1 5 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53344 1 6 '3D 1H-15N NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53344 1 7 '3D 1H-15N TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53344 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 53344 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference_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 internal indirect 0.251449530 . . . . . 53344 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53344 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 53344 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 53344 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ACSL_SNASE _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 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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 HNCA' . . . 53344 1 2 '3D CBCA(CO)NH' . . . 53344 1 4 '3D HNCO' . . . 53344 1 6 '3D 1H-15N NOESY' . . . 53344 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53344 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 6 6 LYS C C 13 176.410 0.01 . 1 . . . . . 6 LYS C . 53344 1 2 . 1 . 1 6 6 LYS CA C 13 56.230 0.01 . 1 . . . . . 6 LYS CA . 53344 1 3 . 1 . 1 6 6 LYS CB C 13 34.010 0.01 . 1 . . . . . 6 LYS CB . 53344 1 4 . 1 . 1 7 7 LEU H H 1 8.267 0.001 . 1 . . . . . 7 LEU H . 53344 1 5 . 1 . 1 7 7 LEU HA H 1 4.454 0.001 . 1 . . . . . 7 LEU HA . 53344 1 6 . 1 . 1 7 7 LEU C C 13 176.840 0.01 . 1 . . . . . 7 LEU C . 53344 1 7 . 1 . 1 7 7 LEU CA C 13 54.880 0.01 . 1 . . . . . 7 LEU CA . 53344 1 8 . 1 . 1 7 7 LEU CB C 13 41.840 0.01 . 1 . . . . . 7 LEU CB . 53344 1 9 . 1 . 1 7 7 LEU N N 15 121.890 0.01 . 1 . . . . . 7 LEU N . 53344 1 10 . 1 . 1 8 8 HIS H H 1 8.708 0.001 . 1 . . . . . 8 HIS H . 53344 1 11 . 1 . 1 8 8 HIS HA H 1 4.819 0.001 . 1 . . . . . 8 HIS HA . 53344 1 12 . 1 . 1 8 8 HIS C C 13 174.400 0.01 . 1 . . . . . 8 HIS C . 53344 1 13 . 1 . 1 8 8 HIS CA C 13 55.960 0.01 . 1 . . . . . 8 HIS CA . 53344 1 14 . 1 . 1 8 8 HIS CB C 13 33.220 0.01 . 1 . . . . . 8 HIS CB . 53344 1 15 . 1 . 1 8 8 HIS N N 15 120.150 0.01 . 1 . . . . . 8 HIS N . 53344 1 16 . 1 . 1 9 9 LYS H H 1 8.273 0.001 . 1 . . . . . 9 LYS H . 53344 1 17 . 1 . 1 9 9 LYS HA H 1 4.682 0.001 . 1 . . . . . 9 LYS HA . 53344 1 18 . 1 . 1 9 9 LYS C C 13 176.660 0.01 . 1 . . . . . 9 LYS C . 53344 1 19 . 1 . 1 9 9 LYS CA C 13 56.050 0.01 . 1 . . . . . 9 LYS CA . 53344 1 20 . 1 . 1 9 9 LYS CB C 13 34.980 0.01 . 1 . . . . . 9 LYS CB . 53344 1 21 . 1 . 1 9 9 LYS N N 15 123.670 0.01 . 1 . . . . . 9 LYS N . 53344 1 22 . 1 . 1 10 10 GLU H H 1 9.379 0.001 . 1 . . . . . 10 GLU H . 53344 1 23 . 1 . 1 10 10 GLU HA H 1 4.939 0.001 . 1 . . . . . 10 GLU HA . 53344 1 24 . 1 . 1 10 10 GLU C C 13 173.570 0.01 . 1 . . . . . 10 GLU C . 53344 1 25 . 1 . 1 10 10 GLU CA C 13 53.620 0.01 . 1 . . . . . 10 GLU CA . 53344 1 26 . 1 . 1 10 10 GLU CB C 13 33.320 0.01 . 1 . . . . . 10 GLU CB . 53344 1 27 . 1 . 1 10 10 GLU N N 15 123.510 0.01 . 1 . . . . . 10 GLU N . 53344 1 28 . 1 . 1 11 11 PRO HA H 1 4.791 0.001 . 1 . . . . . 11 PRO HA . 53344 1 29 . 1 . 1 11 11 PRO C C 13 175.710 0.01 . 1 . . . . . 11 PRO C . 53344 1 30 . 1 . 1 11 11 PRO CA C 13 63.440 0.01 . 1 . . . . . 11 PRO CA . 53344 1 31 . 1 . 1 11 11 PRO CB C 13 33.320 0.01 . 1 . . . . . 11 PRO CB . 53344 1 32 . 1 . 1 12 12 ALA H H 1 7.987 0.001 . 1 . . . . . 12 ALA H . 53344 1 33 . 1 . 1 12 12 ALA HA H 1 4.912 0.001 . 1 . . . . . 12 ALA HA . 53344 1 34 . 1 . 1 12 12 ALA C C 13 175.770 0.01 . 1 . . . . . 12 ALA C . 53344 1 35 . 1 . 1 12 12 ALA CA C 13 51.870 0.01 . 1 . . . . . 12 ALA CA . 53344 1 36 . 1 . 1 12 12 ALA CB C 13 24.860 0.01 . 1 . . . . . 12 ALA CB . 53344 1 37 . 1 . 1 12 12 ALA N N 15 119.780 0.01 . 1 . . . . . 12 ALA N . 53344 1 38 . 1 . 1 13 13 THR H H 1 8.004 0.001 . 1 . . . . . 13 THR H . 53344 1 39 . 1 . 1 13 13 THR HA H 1 4.598 0.001 . 1 . . . . . 13 THR HA . 53344 1 40 . 1 . 1 13 13 THR C C 13 174.300 0.01 . 1 . . . . . 13 THR C . 53344 1 41 . 1 . 1 13 13 THR CA C 13 60.750 0.01 . 1 . . . . . 13 THR CA . 53344 1 42 . 1 . 1 13 13 THR CB C 13 71.730 0.01 . 1 . . . . . 13 THR CB . 53344 1 43 . 1 . 1 13 13 THR N N 15 108.860 0.01 . 1 . . . . . 13 THR N . 53344 1 44 . 1 . 1 14 14 LEU H H 1 9.133 0.001 . 1 . . . . . 14 LEU H . 53344 1 45 . 1 . 1 14 14 LEU HA H 1 4.686 0.001 . 1 . . . . . 14 LEU HA . 53344 1 46 . 1 . 1 14 14 LEU C C 13 177.070 0.01 . 1 . . . . . 14 LEU C . 53344 1 47 . 1 . 1 14 14 LEU CA C 13 57.010 0.01 . 1 . . . . . 14 LEU CA . 53344 1 48 . 1 . 1 14 14 LEU CB C 13 43.150 0.01 . 1 . . . . . 14 LEU CB . 53344 1 49 . 1 . 1 14 14 LEU N N 15 125.060 0.01 . 1 . . . . . 14 LEU N . 53344 1 50 . 1 . 1 15 15 ILE H H 1 8.424 0.001 . 1 . . . . . 15 ILE H . 53344 1 51 . 1 . 1 15 15 ILE HA H 1 4.135 0.001 . 1 . . . . . 15 ILE HA . 53344 1 52 . 1 . 1 15 15 ILE C C 13 176.220 0.01 . 1 . . . . . 15 ILE C . 53344 1 53 . 1 . 1 15 15 ILE CA C 13 64.410 0.01 . 1 . . . . . 15 ILE CA . 53344 1 54 . 1 . 1 15 15 ILE CB C 13 39.150 0.01 . 1 . . . . . 15 ILE CB . 53344 1 55 . 1 . 1 15 15 ILE N N 15 125.320 0.01 . 1 . . . . . 15 ILE N . 53344 1 56 . 1 . 1 16 16 LYS H H 1 8.003 0.001 . 1 . . . . . 16 LYS H . 53344 1 57 . 1 . 1 16 16 LYS HA H 1 4.321 0.001 . 1 . . . . . 16 LYS HA . 53344 1 58 . 1 . 1 16 16 LYS C C 13 174.350 0.01 . 1 . . . . . 16 LYS C . 53344 1 59 . 1 . 1 16 16 LYS CA C 13 56.720 0.01 . 1 . . . . . 16 LYS CA . 53344 1 60 . 1 . 1 16 16 LYS CB C 13 36.010 0.01 . 1 . . . . . 16 LYS CB . 53344 1 61 . 1 . 1 16 16 LYS N N 15 114.690 0.01 . 1 . . . . . 16 LYS N . 53344 1 62 . 1 . 1 17 17 ALA H H 1 9.426 0.001 . 1 . . . . . 17 ALA H . 53344 1 63 . 1 . 1 17 17 ALA HA H 1 4.499 0.001 . 1 . . . . . 17 ALA HA . 53344 1 64 . 1 . 1 17 17 ALA C C 13 176.040 0.01 . 1 . . . . . 17 ALA C . 53344 1 65 . 1 . 1 17 17 ALA CA C 13 52.720 0.01 . 1 . . . . . 17 ALA CA . 53344 1 66 . 1 . 1 17 17 ALA CB C 13 18.670 0.01 . 1 . . . . . 17 ALA CB . 53344 1 67 . 1 . 1 17 17 ALA N N 15 129.520 0.01 . 1 . . . . . 17 ALA N . 53344 1 68 . 1 . 1 18 18 ILE H H 1 8.025 0.001 . 1 . . . . . 18 ILE H . 53344 1 69 . 1 . 1 18 18 ILE HA H 1 4.012 0.001 . 1 . . . . . 18 ILE HA . 53344 1 70 . 1 . 1 18 18 ILE C C 13 175.310 0.01 . 1 . . . . . 18 ILE C . 53344 1 71 . 1 . 1 18 18 ILE CA C 13 63.470 0.01 . 1 . . . . . 18 ILE CA . 53344 1 72 . 1 . 1 18 18 ILE CB C 13 38.210 0.01 . 1 . . . . . 18 ILE CB . 53344 1 73 . 1 . 1 18 18 ILE N N 15 123.580 0.01 . 1 . . . . . 18 ILE N . 53344 1 74 . 1 . 1 19 19 ASP H H 1 8.184 0.001 . 1 . . . . . 19 ASP H . 53344 1 75 . 1 . 1 19 19 ASP HA H 1 4.642 0.001 . 1 . . . . . 19 ASP HA . 53344 1 76 . 1 . 1 19 19 ASP C C 13 177.150 0.01 . 1 . . . . . 19 ASP C . 53344 1 77 . 1 . 1 19 19 ASP CA C 13 54.100 0.01 . 1 . . . . . 19 ASP CA . 53344 1 78 . 1 . 1 19 19 ASP CB C 13 40.710 0.01 . 1 . . . . . 19 ASP CB . 53344 1 79 . 1 . 1 19 19 ASP N N 15 120.400 0.01 . 1 . . . . . 19 ASP N . 53344 1 80 . 1 . 1 20 20 GLY H H 1 8.501 0.001 . 1 . . . . . 20 GLY H . 53344 1 81 . 1 . 1 20 20 GLY HA2 H 1 3.710 0.001 . 2 . . . . . 20 GLY HA2 . 53344 1 82 . 1 . 1 20 20 GLY HA3 H 1 3.607 0.001 . 2 . . . . . 20 GLY HA3 . 53344 1 83 . 1 . 1 20 20 GLY C C 13 173.470 0.01 . 1 . . . . . 20 GLY C . 53344 1 84 . 1 . 1 20 20 GLY CA C 13 47.990 0.01 . 1 . . . . . 20 GLY CA . 53344 1 85 . 1 . 1 20 20 GLY N N 15 104.770 0.01 . 1 . . . . . 20 GLY N . 53344 1 86 . 1 . 1 21 21 ASP H H 1 7.604 0.001 . 1 . . . . . 21 ASP H . 53344 1 87 . 1 . 1 21 21 ASP HA H 1 4.729 0.001 . 1 . . . . . 21 ASP HA . 53344 1 88 . 1 . 1 21 21 ASP C C 13 176.080 0.01 . 1 . . . . . 21 ASP C . 53344 1 89 . 1 . 1 21 21 ASP CA C 13 52.600 0.01 . 1 . . . . . 21 ASP CA . 53344 1 90 . 1 . 1 21 21 ASP CB C 13 41.500 0.01 . 1 . . . . . 21 ASP CB . 53344 1 91 . 1 . 1 21 21 ASP N N 15 111.390 0.01 . 1 . . . . . 21 ASP N . 53344 1 92 . 1 . 1 22 22 THR H H 1 7.507 0.001 . 1 . . . . . 22 THR H . 53344 1 93 . 1 . 1 22 22 THR HA H 1 5.649 0.001 . 1 . . . . . 22 THR HA . 53344 1 94 . 1 . 1 22 22 THR C C 13 174.480 0.01 . 1 . . . . . 22 THR C . 53344 1 95 . 1 . 1 22 22 THR CA C 13 61.340 0.01 . 1 . . . . . 22 THR CA . 53344 1 96 . 1 . 1 22 22 THR CB C 13 71.630 0.01 . 1 . . . . . 22 THR CB . 53344 1 97 . 1 . 1 22 22 THR N N 15 112.860 0.01 . 1 . . . . . 22 THR N . 53344 1 98 . 1 . 1 23 23 VAL H H 1 8.810 0.001 . 1 . . . . . 23 VAL H . 53344 1 99 . 1 . 1 23 23 VAL HA H 1 4.503 0.001 . 1 . . . . . 23 VAL HA . 53344 1 100 . 1 . 1 23 23 VAL C C 13 172.400 0.01 . 1 . . . . . 23 VAL C . 53344 1 101 . 1 . 1 23 23 VAL CA C 13 60.260 0.01 . 1 . . . . . 23 VAL CA . 53344 1 102 . 1 . 1 23 23 VAL CB C 13 36.500 0.01 . 1 . . . . . 23 VAL CB . 53344 1 103 . 1 . 1 23 23 VAL N N 15 117.960 0.01 . 1 . . . . . 23 VAL N . 53344 1 104 . 1 . 1 24 24 LYS H H 1 9.306 0.001 . 1 . . . . . 24 LYS H . 53344 1 105 . 1 . 1 24 24 LYS HA H 1 5.320 0.001 . 1 . . . . . 24 LYS HA . 53344 1 106 . 1 . 1 24 24 LYS C C 13 175.520 0.01 . 1 . . . . . 24 LYS C . 53344 1 107 . 1 . 1 24 24 LYS CA C 13 56.140 0.01 . 1 . . . . . 24 LYS CA . 53344 1 108 . 1 . 1 24 24 LYS CB C 13 34.780 0.01 . 1 . . . . . 24 LYS CB . 53344 1 109 . 1 . 1 24 24 LYS N N 15 127.020 0.01 . 1 . . . . . 24 LYS N . 53344 1 110 . 1 . 1 25 25 LEU H H 1 9.344 0.001 . 1 . . . . . 25 LEU H . 53344 1 111 . 1 . 1 25 25 LEU HA H 1 5.118 0.001 . 1 . . . . . 25 LEU HA . 53344 1 112 . 1 . 1 25 25 LEU C C 13 174.720 0.01 . 1 . . . . . 25 LEU C . 53344 1 113 . 1 . 1 25 25 LEU CA C 13 53.360 0.01 . 1 . . . . . 25 LEU CA . 53344 1 114 . 1 . 1 25 25 LEU CB C 13 45.850 0.01 . 1 . . . . . 25 LEU CB . 53344 1 115 . 1 . 1 25 25 LEU N N 15 127.180 0.01 . 1 . . . . . 25 LEU N . 53344 1 116 . 1 . 1 26 26 MET H H 1 9.500 0.001 . 1 . . . . . 26 MET H . 53344 1 117 . 1 . 1 26 26 MET HA H 1 4.777 0.001 . 1 . . . . . 26 MET HA . 53344 1 118 . 1 . 1 26 26 MET C C 13 175.430 0.01 . 1 . . . . . 26 MET C . 53344 1 119 . 1 . 1 26 26 MET CA C 13 54.820 0.01 . 1 . . . . . 26 MET CA . 53344 1 120 . 1 . 1 26 26 MET CB C 13 31.710 0.01 . 1 . . . . . 26 MET CB . 53344 1 121 . 1 . 1 26 26 MET N N 15 122.060 0.01 . 1 . . . . . 26 MET N . 53344 1 122 . 1 . 1 27 27 TYR H H 1 8.992 0.001 . 1 . . . . . 27 TYR H . 53344 1 123 . 1 . 1 27 27 TYR HA H 1 4.946 0.001 . 1 . . . . . 27 TYR HA . 53344 1 124 . 1 . 1 27 27 TYR C C 13 174.230 0.01 . 1 . . . . . 27 TYR C . 53344 1 125 . 1 . 1 27 27 TYR CA C 13 57.100 0.01 . 1 . . . . . 27 TYR CA . 53344 1 126 . 1 . 1 27 27 TYR CB C 13 42.180 0.01 . 1 . . . . . 27 TYR CB . 53344 1 127 . 1 . 1 27 27 TYR N N 15 129.720 0.01 . 1 . . . . . 27 TYR N . 53344 1 128 . 1 . 1 28 28 LYS H H 1 9.256 0.001 . 1 . . . . . 28 LYS H . 53344 1 129 . 1 . 1 28 28 LYS HA H 1 4.360 0.001 . 1 . . . . . 28 LYS HA . 53344 1 130 . 1 . 1 28 28 LYS C C 13 177.250 0.01 . 1 . . . . . 28 LYS C . 53344 1 131 . 1 . 1 28 28 LYS CA C 13 57.690 0.01 . 1 . . . . . 28 LYS CA . 53344 1 132 . 1 . 1 28 28 LYS CB C 13 29.980 0.01 . 1 . . . . . 28 LYS CB . 53344 1 133 . 1 . 1 28 28 LYS N N 15 127.480 0.01 . 1 . . . . . 28 LYS N . 53344 1 134 . 1 . 1 29 29 GLY H H 1 8.398 0.001 . 1 . . . . . 29 GLY H . 53344 1 135 . 1 . 1 29 29 GLY HA2 H 1 4.019 0.001 . 2 . . . . . 29 GLY HA2 . 53344 1 136 . 1 . 1 29 29 GLY HA3 H 1 3.467 0.001 . 2 . . . . . 29 GLY HA3 . 53344 1 137 . 1 . 1 29 29 GLY C C 13 173.980 0.01 . 1 . . . . . 29 GLY C . 53344 1 138 . 1 . 1 29 29 GLY CA C 13 45.820 0.01 . 1 . . . . . 29 GLY CA . 53344 1 139 . 1 . 1 29 29 GLY N N 15 102.320 0.01 . 1 . . . . . 29 GLY N . 53344 1 140 . 1 . 1 30 30 GLN H H 1 7.728 0.001 . 1 . . . . . 30 GLN H . 53344 1 141 . 1 . 1 30 30 GLN HA H 1 4.934 0.001 . 1 . . . . . 30 GLN HA . 53344 1 142 . 1 . 1 30 30 GLN C C 13 173.520 0.01 . 1 . . . . . 30 GLN C . 53344 1 143 . 1 . 1 30 30 GLN CA C 13 52.660 0.01 . 1 . . . . . 30 GLN CA . 53344 1 144 . 1 . 1 30 30 GLN CB C 13 31.750 0.01 . 1 . . . . . 30 GLN CB . 53344 1 145 . 1 . 1 30 30 GLN N N 15 119.080 0.01 . 1 . . . . . 30 GLN N . 53344 1 146 . 1 . 1 31 31 PRO HA H 1 4.779 0.001 . 1 . . . . . 31 PRO HA . 53344 1 147 . 1 . 1 31 31 PRO C C 13 177.680 0.01 . 1 . . . . . 31 PRO C . 53344 1 148 . 1 . 1 31 31 PRO CA C 13 62.920 0.01 . 1 . . . . . 31 PRO CA . 53344 1 149 . 1 . 1 31 31 PRO CB C 13 32.340 0.01 . 1 . . . . . 31 PRO CB . 53344 1 150 . 1 . 1 32 32 MET H H 1 9.566 0.001 . 1 . . . . . 32 MET H . 53344 1 151 . 1 . 1 32 32 MET HA H 1 4.554 0.001 . 1 . . . . . 32 MET HA . 53344 1 152 . 1 . 1 32 32 MET C C 13 174.710 0.01 . 1 . . . . . 32 MET C . 53344 1 153 . 1 . 1 32 32 MET CA C 13 56.170 0.01 . 1 . . . . . 32 MET CA . 53344 1 154 . 1 . 1 32 32 MET CB C 13 37.280 0.01 . 1 . . . . . 32 MET CB . 53344 1 155 . 1 . 1 32 32 MET N N 15 126.010 0.01 . 1 . . . . . 32 MET N . 53344 1 156 . 1 . 1 33 33 THR H H 1 8.928 0.001 . 1 . . . . . 33 THR H . 53344 1 157 . 1 . 1 33 33 THR HA H 1 4.506 0.001 . 1 . . . . . 33 THR HA . 53344 1 158 . 1 . 1 33 33 THR C C 13 173.280 0.01 . 1 . . . . . 33 THR C . 53344 1 159 . 1 . 1 33 33 THR CA C 13 64.080 0.01 . 1 . . . . . 33 THR CA . 53344 1 160 . 1 . 1 33 33 THR CB C 13 68.780 0.01 . 1 . . . . . 33 THR CB . 53344 1 161 . 1 . 1 33 33 THR N N 15 123.750 0.01 . 1 . . . . . 33 THR N . 53344 1 162 . 1 . 1 34 34 PHE H H 1 9.511 0.001 . 1 . . . . . 34 PHE H . 53344 1 163 . 1 . 1 34 34 PHE HA H 1 4.866 0.001 . 1 . . . . . 34 PHE HA . 53344 1 164 . 1 . 1 34 34 PHE C C 13 173.920 0.01 . 1 . . . . . 34 PHE C . 53344 1 165 . 1 . 1 34 34 PHE CA C 13 57.620 0.01 . 1 . . . . . 34 PHE CA . 53344 1 166 . 1 . 1 34 34 PHE CB C 13 42.720 0.01 . 1 . . . . . 34 PHE CB . 53344 1 167 . 1 . 1 34 34 PHE N N 15 125.850 0.01 . 1 . . . . . 34 PHE N . 53344 1 168 . 1 . 1 35 35 ARG H H 1 9.534 0.001 . 1 . . . . . 35 ARG H . 53344 1 169 . 1 . 1 35 35 ARG HA H 1 5.198 0.001 . 1 . . . . . 35 ARG HA . 53344 1 170 . 1 . 1 35 35 ARG C C 13 175.460 0.01 . 1 . . . . . 35 ARG C . 53344 1 171 . 1 . 1 35 35 ARG CA C 13 52.660 0.01 . 1 . . . . . 35 ARG CA . 53344 1 172 . 1 . 1 35 35 ARG CB C 13 33.370 0.01 . 1 . . . . . 35 ARG CB . 53344 1 173 . 1 . 1 35 35 ARG N N 15 122.920 0.01 . 1 . . . . . 35 ARG N . 53344 1 174 . 1 . 1 36 36 LEU H H 1 8.446 0.001 . 1 . . . . . 36 LEU H . 53344 1 175 . 1 . 1 36 36 LEU HA H 1 4.267 0.001 . 1 . . . . . 36 LEU HA . 53344 1 176 . 1 . 1 36 36 LEU C C 13 177.450 0.01 . 1 . . . . . 36 LEU C . 53344 1 177 . 1 . 1 36 36 LEU CA C 13 55.670 0.01 . 1 . . . . . 36 LEU CA . 53344 1 178 . 1 . 1 36 36 LEU CB C 13 41.990 0.01 . 1 . . . . . 36 LEU CB . 53344 1 179 . 1 . 1 36 36 LEU N N 15 123.060 0.01 . 1 . . . . . 36 LEU N . 53344 1 180 . 1 . 1 37 37 LEU H H 1 7.669 0.001 . 1 . . . . . 37 LEU H . 53344 1 181 . 1 . 1 37 37 LEU HA H 1 3.883 0.001 . 1 . . . . . 37 LEU HA . 53344 1 182 . 1 . 1 37 37 LEU C C 13 177.570 0.01 . 1 . . . . . 37 LEU C . 53344 1 183 . 1 . 1 37 37 LEU CA C 13 56.170 0.01 . 1 . . . . . 37 LEU CA . 53344 1 184 . 1 . 1 37 37 LEU CB C 13 44.090 0.01 . 1 . . . . . 37 LEU CB . 53344 1 185 . 1 . 1 37 37 LEU N N 15 125.980 0.01 . 1 . . . . . 37 LEU N . 53344 1 186 . 1 . 1 38 38 LEU H H 1 8.344 0.001 . 1 . . . . . 38 LEU H . 53344 1 187 . 1 . 1 38 38 LEU HA H 1 4.380 0.001 . 1 . . . . . 38 LEU HA . 53344 1 188 . 1 . 1 38 38 LEU C C 13 175.450 0.01 . 1 . . . . . 38 LEU C . 53344 1 189 . 1 . 1 38 38 LEU CA C 13 57.920 0.01 . 1 . . . . . 38 LEU CA . 53344 1 190 . 1 . 1 38 38 LEU CB C 13 40.860 0.01 . 1 . . . . . 38 LEU CB . 53344 1 191 . 1 . 1 38 38 LEU N N 15 113.790 0.01 . 1 . . . . . 38 LEU N . 53344 1 192 . 1 . 1 39 39 VAL H H 1 6.938 0.001 . 1 . . . . . 39 VAL H . 53344 1 193 . 1 . 1 39 39 VAL HA H 1 5.070 0.001 . 1 . . . . . 39 VAL HA . 53344 1 194 . 1 . 1 39 39 VAL C C 13 174.080 0.01 . 1 . . . . . 39 VAL C . 53344 1 195 . 1 . 1 39 39 VAL CA C 13 59.210 0.01 . 1 . . . . . 39 VAL CA . 53344 1 196 . 1 . 1 39 39 VAL CB C 13 35.570 0.01 . 1 . . . . . 39 VAL CB . 53344 1 197 . 1 . 1 39 39 VAL N N 15 109.140 0.01 . 1 . . . . . 39 VAL N . 53344 1 198 . 1 . 1 40 40 ASP H H 1 8.845 0.001 . 1 . . . . . 40 ASP H . 53344 1 199 . 1 . 1 40 40 ASP HA H 1 5.165 0.001 . 1 . . . . . 40 ASP HA . 53344 1 200 . 1 . 1 40 40 ASP C C 13 176.910 0.01 . 1 . . . . . 40 ASP C . 53344 1 201 . 1 . 1 40 40 ASP CA C 13 53.360 0.01 . 1 . . . . . 40 ASP CA . 53344 1 202 . 1 . 1 40 40 ASP CB C 13 43.550 0.01 . 1 . . . . . 40 ASP CB . 53344 1 203 . 1 . 1 40 40 ASP N N 15 122.880 0.01 . 1 . . . . . 40 ASP N . 53344 1 204 . 1 . 1 57 57 GLU C C 13 179.880 0.01 . 1 . . . . . 57 GLU C . 53344 1 205 . 1 . 1 58 58 ALA H H 1 8.827 0.001 . 1 . . . . . 58 ALA H . 53344 1 206 . 1 . 1 58 58 ALA HA H 1 4.033 0.001 . 1 . . . . . 58 ALA HA . 53344 1 207 . 1 . 1 58 58 ALA C C 13 178.910 0.01 . 1 . . . . . 58 ALA C . 53344 1 208 . 1 . 1 58 58 ALA CA C 13 56.170 0.01 . 1 . . . . . 58 ALA CA . 53344 1 209 . 1 . 1 58 58 ALA CB C 13 18.500 0.01 . 1 . . . . . 58 ALA CB . 53344 1 210 . 1 . 1 58 58 ALA N N 15 125.030 0.01 . 1 . . . . . 58 ALA N . 53344 1 211 . 1 . 1 59 59 SER H H 1 8.034 0.001 . 1 . . . . . 59 SER H . 53344 1 212 . 1 . 1 59 59 SER HA H 1 3.662 0.001 . 1 . . . . . 59 SER HA . 53344 1 213 . 1 . 1 59 59 SER CA C 13 62.140 0.01 . 1 . . . . . 59 SER CA . 53344 1 214 . 1 . 1 59 59 SER CB C 13 63.050 0.01 . 1 . . . . . 59 SER CB . 53344 1 215 . 1 . 1 59 59 SER N N 15 111.310 0.01 . 1 . . . . . 59 SER N . 53344 1 216 . 1 . 1 60 60 ALA C C 13 179.460 0.01 . 1 . . . . . 60 ALA C . 53344 1 217 . 1 . 1 60 60 ALA CA C 13 55.140 0.01 . 1 . . . . . 60 ALA CA . 53344 1 218 . 1 . 1 60 60 ALA CB C 13 18.450 0.01 . 1 . . . . . 60 ALA CB . 53344 1 219 . 1 . 1 61 61 PHE H H 1 8.151 0.001 . 1 . . . . . 61 PHE H . 53344 1 220 . 1 . 1 61 61 PHE HA H 1 3.955 0.001 . 1 . . . . . 61 PHE HA . 53344 1 221 . 1 . 1 61 61 PHE C C 13 178.430 0.01 . 1 . . . . . 61 PHE C . 53344 1 222 . 1 . 1 61 61 PHE CA C 13 61.990 0.01 . 1 . . . . . 61 PHE CA . 53344 1 223 . 1 . 1 61 61 PHE CB C 13 40.200 0.01 . 1 . . . . . 61 PHE CB . 53344 1 224 . 1 . 1 61 61 PHE N N 15 121.920 0.01 . 1 . . . . . 61 PHE N . 53344 1 225 . 1 . 1 62 62 THR H H 1 8.611 0.001 . 1 . . . . . 62 THR H . 53344 1 226 . 1 . 1 62 62 THR HA H 1 4.059 0.001 . 1 . . . . . 62 THR HA . 53344 1 227 . 1 . 1 62 62 THR C C 13 175.660 0.01 . 1 . . . . . 62 THR C . 53344 1 228 . 1 . 1 62 62 THR CA C 13 67.930 0.01 . 1 . . . . . 62 THR CA . 53344 1 229 . 1 . 1 62 62 THR CB C 13 68.620 0.01 . 1 . . . . . 62 THR CB . 53344 1 230 . 1 . 1 62 62 THR N N 15 120.400 0.01 . 1 . . . . . 62 THR N . 53344 1 231 . 1 . 1 63 63 LYS H H 1 7.709 0.001 . 1 . . . . . 63 LYS H . 53344 1 232 . 1 . 1 63 63 LYS HA H 1 3.465 0.001 . 1 . . . . . 63 LYS HA . 53344 1 233 . 1 . 1 63 63 LYS C C 13 177.150 0.01 . 1 . . . . . 63 LYS C . 53344 1 234 . 1 . 1 63 63 LYS CA C 13 60.390 0.01 . 1 . . . . . 63 LYS CA . 53344 1 235 . 1 . 1 63 63 LYS CB C 13 33.540 0.01 . 1 . . . . . 63 LYS CB . 53344 1 236 . 1 . 1 63 63 LYS N N 15 119.670 0.01 . 1 . . . . . 63 LYS N . 53344 1 237 . 1 . 1 64 64 LYS H H 1 7.842 0.001 . 1 . . . . . 64 LYS H . 53344 1 238 . 1 . 1 64 64 LYS HA H 1 3.841 0.001 . 1 . . . . . 64 LYS HA . 53344 1 239 . 1 . 1 64 64 LYS C C 13 179.050 0.01 . 1 . . . . . 64 LYS C . 53344 1 240 . 1 . 1 64 64 LYS CA C 13 59.410 0.01 . 1 . . . . . 64 LYS CA . 53344 1 241 . 1 . 1 64 64 LYS CB C 13 32.340 0.01 . 1 . . . . . 64 LYS CB . 53344 1 242 . 1 . 1 64 64 LYS N N 15 117.190 0.01 . 1 . . . . . 64 LYS N . 53344 1 243 . 1 . 1 65 65 MET H H 1 7.641 0.001 . 1 . . . . . 65 MET H . 53344 1 244 . 1 . 1 65 65 MET HA H 1 3.811 0.001 . 1 . . . . . 65 MET HA . 53344 1 245 . 1 . 1 65 65 MET C C 13 179.560 0.01 . 1 . . . . . 65 MET C . 53344 1 246 . 1 . 1 65 65 MET CA C 13 60.070 0.01 . 1 . . . . . 65 MET CA . 53344 1 247 . 1 . 1 65 65 MET CB C 13 32.660 0.01 . 1 . . . . . 65 MET CB . 53344 1 248 . 1 . 1 65 65 MET N N 15 116.050 0.01 . 1 . . . . . 65 MET N . 53344 1 249 . 1 . 1 66 66 VAL H H 1 8.121 0.001 . 1 . . . . . 66 VAL H . 53344 1 250 . 1 . 1 66 66 VAL HA H 1 4.053 0.001 . 1 . . . . . 66 VAL HA . 53344 1 251 . 1 . 1 66 66 VAL C C 13 177.830 0.01 . 1 . . . . . 66 VAL C . 53344 1 252 . 1 . 1 66 66 VAL CA C 13 64.630 0.01 . 1 . . . . . 66 VAL CA . 53344 1 253 . 1 . 1 66 66 VAL CB C 13 31.670 0.01 . 1 . . . . . 66 VAL CB . 53344 1 254 . 1 . 1 66 66 VAL N N 15 107.770 0.01 . 1 . . . . . 66 VAL N . 53344 1 255 . 1 . 1 67 67 GLU H H 1 8.614 0.001 . 1 . . . . . 67 GLU H . 53344 1 256 . 1 . 1 67 67 GLU HA H 1 3.841 0.001 . 1 . . . . . 67 GLU HA . 53344 1 257 . 1 . 1 67 67 GLU C C 13 178.390 0.01 . 1 . . . . . 67 GLU C . 53344 1 258 . 1 . 1 67 67 GLU CA C 13 59.540 0.01 . 1 . . . . . 67 GLU CA . 53344 1 259 . 1 . 1 67 67 GLU CB C 13 29.430 0.01 . 1 . . . . . 67 GLU CB . 53344 1 260 . 1 . 1 67 67 GLU N N 15 120.870 0.01 . 1 . . . . . 67 GLU N . 53344 1 261 . 1 . 1 68 68 ASN H H 1 7.318 0.001 . 1 . . . . . 68 ASN H . 53344 1 262 . 1 . 1 68 68 ASN HA H 1 4.558 0.001 . 1 . . . . . 68 ASN HA . 53344 1 263 . 1 . 1 68 68 ASN C C 13 174.800 0.01 . 1 . . . . . 68 ASN C . 53344 1 264 . 1 . 1 68 68 ASN CA C 13 53.660 0.01 . 1 . . . . . 68 ASN CA . 53344 1 265 . 1 . 1 68 68 ASN CB C 13 39.270 0.01 . 1 . . . . . 68 ASN CB . 53344 1 266 . 1 . 1 68 68 ASN N N 15 113.350 0.01 . 1 . . . . . 68 ASN N . 53344 1 267 . 1 . 1 69 69 ALA H H 1 6.607 0.001 . 1 . . . . . 69 ALA H . 53344 1 268 . 1 . 1 69 69 ALA HA H 1 4.414 0.001 . 1 . . . . . 69 ALA HA . 53344 1 269 . 1 . 1 69 69 ALA C C 13 178.180 0.01 . 1 . . . . . 69 ALA C . 53344 1 270 . 1 . 1 69 69 ALA CA C 13 51.620 0.01 . 1 . . . . . 69 ALA CA . 53344 1 271 . 1 . 1 69 69 ALA CB C 13 19.650 0.01 . 1 . . . . . 69 ALA CB . 53344 1 272 . 1 . 1 69 69 ALA N N 15 121.030 0.01 . 1 . . . . . 69 ALA N . 53344 1 273 . 1 . 1 70 70 LYS H H 1 10.050 0.001 . 1 . . . . . 70 LYS H . 53344 1 274 . 1 . 1 70 70 LYS HA H 1 4.276 0.001 . 1 . . . . . 70 LYS HA . 53344 1 275 . 1 . 1 70 70 LYS C C 13 178.120 0.01 . 1 . . . . . 70 LYS C . 53344 1 276 . 1 . 1 70 70 LYS CA C 13 57.970 0.01 . 1 . . . . . 70 LYS CA . 53344 1 277 . 1 . 1 70 70 LYS CB C 13 32.400 0.01 . 1 . . . . . 70 LYS CB . 53344 1 278 . 1 . 1 70 70 LYS N N 15 125.590 0.01 . 1 . . . . . 70 LYS N . 53344 1 279 . 1 . 1 71 71 LYS H H 1 8.850 0.001 . 1 . . . . . 71 LYS H . 53344 1 280 . 1 . 1 71 71 LYS HA H 1 4.576 0.001 . 1 . . . . . 71 LYS HA . 53344 1 281 . 1 . 1 71 71 LYS C C 13 174.990 0.01 . 1 . . . . . 71 LYS C . 53344 1 282 . 1 . 1 71 71 LYS CA C 13 55.670 0.01 . 1 . . . . . 71 LYS CA . 53344 1 283 . 1 . 1 71 71 LYS CB C 13 35.830 0.01 . 1 . . . . . 71 LYS CB . 53344 1 284 . 1 . 1 71 71 LYS N N 15 121.410 0.01 . 1 . . . . . 71 LYS N . 53344 1 285 . 1 . 1 72 72 ILE H H 1 8.903 0.001 . 1 . . . . . 72 ILE H . 53344 1 286 . 1 . 1 72 72 ILE HA H 1 5.185 0.001 . 1 . . . . . 72 ILE HA . 53344 1 287 . 1 . 1 72 72 ILE C C 13 175.640 0.01 . 1 . . . . . 72 ILE C . 53344 1 288 . 1 . 1 72 72 ILE CA C 13 58.720 0.01 . 1 . . . . . 72 ILE CA . 53344 1 289 . 1 . 1 72 72 ILE CB C 13 38.490 0.01 . 1 . . . . . 72 ILE CB . 53344 1 290 . 1 . 1 72 72 ILE N N 15 128.790 0.01 . 1 . . . . . 72 ILE N . 53344 1 291 . 1 . 1 73 73 GLU H H 1 8.701 0.001 . 1 . . . . . 73 GLU H . 53344 1 292 . 1 . 1 73 73 GLU HA H 1 5.130 0.001 . 1 . . . . . 73 GLU HA . 53344 1 293 . 1 . 1 73 73 GLU C C 13 175.160 0.01 . 1 . . . . . 73 GLU C . 53344 1 294 . 1 . 1 73 73 GLU CA C 13 54.100 0.01 . 1 . . . . . 73 GLU CA . 53344 1 295 . 1 . 1 73 73 GLU CB C 13 36.660 0.01 . 1 . . . . . 73 GLU CB . 53344 1 296 . 1 . 1 73 73 GLU N N 15 123.180 0.01 . 1 . . . . . 73 GLU N . 53344 1 297 . 1 . 1 74 74 VAL H H 1 9.454 0.001 . 1 . . . . . 74 VAL H . 53344 1 298 . 1 . 1 74 74 VAL HA H 1 4.515 0.001 . 1 . . . . . 74 VAL HA . 53344 1 299 . 1 . 1 74 74 VAL C C 13 174.400 0.01 . 1 . . . . . 74 VAL C . 53344 1 300 . 1 . 1 74 74 VAL CA C 13 59.850 0.01 . 1 . . . . . 74 VAL CA . 53344 1 301 . 1 . 1 74 74 VAL CB C 13 34.950 0.01 . 1 . . . . . 74 VAL CB . 53344 1 302 . 1 . 1 74 74 VAL N N 15 117.170 0.01 . 1 . . . . . 74 VAL N . 53344 1 303 . 1 . 1 75 75 GLU H H 1 8.808 0.001 . 1 . . . . . 75 GLU H . 53344 1 304 . 1 . 1 75 75 GLU HA H 1 5.096 0.001 . 1 . . . . . 75 GLU HA . 53344 1 305 . 1 . 1 75 75 GLU C C 13 175.880 0.01 . 1 . . . . . 75 GLU C . 53344 1 306 . 1 . 1 75 75 GLU CA C 13 54.760 0.01 . 1 . . . . . 75 GLU CA . 53344 1 307 . 1 . 1 75 75 GLU CB C 13 36.300 0.01 . 1 . . . . . 75 GLU CB . 53344 1 308 . 1 . 1 75 75 GLU N N 15 126.780 0.01 . 1 . . . . . 75 GLU N . 53344 1 309 . 1 . 1 76 76 PHE H H 1 8.782 0.001 . 1 . . . . . 76 PHE H . 53344 1 310 . 1 . 1 76 76 PHE HA H 1 4.643 0.001 . 1 . . . . . 76 PHE HA . 53344 1 311 . 1 . 1 76 76 PHE C C 13 175.950 0.01 . 1 . . . . . 76 PHE C . 53344 1 312 . 1 . 1 76 76 PHE CA C 13 59.850 0.01 . 1 . . . . . 76 PHE CA . 53344 1 313 . 1 . 1 76 76 PHE CB C 13 40.150 0.01 . 1 . . . . . 76 PHE CB . 53344 1 314 . 1 . 1 76 76 PHE N N 15 126.180 0.01 . 1 . . . . . 76 PHE N . 53344 1 315 . 1 . 1 77 77 ASP H H 1 9.306 0.001 . 1 . . . . . 77 ASP H . 53344 1 316 . 1 . 1 77 77 ASP HA H 1 5.222 0.001 . 1 . . . . . 77 ASP HA . 53344 1 317 . 1 . 1 77 77 ASP C C 13 178.010 0.01 . 1 . . . . . 77 ASP C . 53344 1 318 . 1 . 1 77 77 ASP CA C 13 52.180 0.01 . 1 . . . . . 77 ASP CA . 53344 1 319 . 1 . 1 77 77 ASP CB C 13 43.430 0.01 . 1 . . . . . 77 ASP CB . 53344 1 320 . 1 . 1 77 77 ASP N N 15 122.980 0.01 . 1 . . . . . 77 ASP N . 53344 1 321 . 1 . 1 78 78 LYS H H 1 10.300 0.001 . 1 . . . . . 78 LYS H . 53344 1 322 . 1 . 1 78 78 LYS HA H 1 4.138 0.001 . 1 . . . . . 78 LYS HA . 53344 1 323 . 1 . 1 78 78 LYS C C 13 177.420 0.01 . 1 . . . . . 78 LYS C . 53344 1 324 . 1 . 1 78 78 LYS CA C 13 57.780 0.01 . 1 . . . . . 78 LYS CA . 53344 1 325 . 1 . 1 78 78 LYS CB C 13 33.750 0.01 . 1 . . . . . 78 LYS CB . 53344 1 326 . 1 . 1 78 78 LYS N N 15 118.970 0.01 . 1 . . . . . 78 LYS N . 53344 1 327 . 1 . 1 79 79 GLY H H 1 8.466 0.001 . 1 . . . . . 79 GLY H . 53344 1 328 . 1 . 1 79 79 GLY HA2 H 1 4.267 0.001 . 2 . . . . . 79 GLY HA2 . 53344 1 329 . 1 . 1 79 79 GLY HA3 H 1 3.189 0.001 . 2 . . . . . 79 GLY HA3 . 53344 1 330 . 1 . 1 79 79 GLY C C 13 173.780 0.01 . 1 . . . . . 79 GLY C . 53344 1 331 . 1 . 1 79 79 GLY CA C 13 44.990 0.01 . 1 . . . . . 79 GLY CA . 53344 1 332 . 1 . 1 79 79 GLY N N 15 110.930 0.01 . 1 . . . . . 79 GLY N . 53344 1 333 . 1 . 1 80 80 GLN H H 1 8.456 0.001 . 1 . . . . . 80 GLN H . 53344 1 334 . 1 . 1 80 80 GLN HA H 1 4.004 0.001 . 1 . . . . . 80 GLN HA . 53344 1 335 . 1 . 1 80 80 GLN C C 13 177.070 0.01 . 1 . . . . . 80 GLN C . 53344 1 336 . 1 . 1 80 80 GLN CA C 13 57.400 0.01 . 1 . . . . . 80 GLN CA . 53344 1 337 . 1 . 1 80 80 GLN CB C 13 29.480 0.01 . 1 . . . . . 80 GLN CB . 53344 1 338 . 1 . 1 80 80 GLN N N 15 125.170 0.01 . 1 . . . . . 80 GLN N . 53344 1 339 . 1 . 1 81 81 ARG H H 1 8.581 0.001 . 1 . . . . . 81 ARG H . 53344 1 340 . 1 . 1 81 81 ARG HA H 1 4.582 0.001 . 1 . . . . . 81 ARG HA . 53344 1 341 . 1 . 1 81 81 ARG C C 13 176.530 0.01 . 1 . . . . . 81 ARG C . 53344 1 342 . 1 . 1 81 81 ARG CA C 13 58.120 0.01 . 1 . . . . . 81 ARG CA . 53344 1 343 . 1 . 1 81 81 ARG CB C 13 32.550 0.01 . 1 . . . . . 81 ARG CB . 53344 1 344 . 1 . 1 81 81 ARG N N 15 121.800 0.01 . 1 . . . . . 81 ARG N . 53344 1 345 . 1 . 1 82 82 THR H H 1 7.255 0.001 . 1 . . . . . 82 THR H . 53344 1 346 . 1 . 1 82 82 THR HA H 1 5.489 0.001 . 1 . . . . . 82 THR HA . 53344 1 347 . 1 . 1 82 82 THR C C 13 174.970 0.01 . 1 . . . . . 82 THR C . 53344 1 348 . 1 . 1 82 82 THR CA C 13 58.530 0.01 . 1 . . . . . 82 THR CA . 53344 1 349 . 1 . 1 82 82 THR CB C 13 72.780 0.01 . 1 . . . . . 82 THR CB . 53344 1 350 . 1 . 1 82 82 THR N N 15 107.010 0.01 . 1 . . . . . 82 THR N . 53344 1 351 . 1 . 1 83 83 ASP H H 1 8.618 0.001 . 1 . . . . . 83 ASP H . 53344 1 352 . 1 . 1 83 83 ASP HA H 1 4.590 0.001 . 1 . . . . . 83 ASP HA . 53344 1 353 . 1 . 1 83 83 ASP C C 13 179.110 0.01 . 1 . . . . . 83 ASP C . 53344 1 354 . 1 . 1 83 83 ASP CA C 13 52.060 0.01 . 1 . . . . . 83 ASP CA . 53344 1 355 . 1 . 1 83 83 ASP CB C 13 42.180 0.01 . 1 . . . . . 83 ASP CB . 53344 1 356 . 1 . 1 83 83 ASP N N 15 121.020 0.01 . 1 . . . . . 83 ASP N . 53344 1 357 . 1 . 1 84 84 LYS C C 13 176.710 0.01 . 1 . . . . . 84 LYS C . 53344 1 358 . 1 . 1 84 84 LYS CA C 13 58.220 0.01 . 1 . . . . . 84 LYS CA . 53344 1 359 . 1 . 1 84 84 LYS CB C 13 31.560 0.01 . 1 . . . . . 84 LYS CB . 53344 1 360 . 1 . 1 85 85 TYR H H 1 7.864 0.001 . 1 . . . . . 85 TYR H . 53344 1 361 . 1 . 1 85 85 TYR HA H 1 4.532 0.001 . 1 . . . . . 85 TYR HA . 53344 1 362 . 1 . 1 85 85 TYR C C 13 176.400 0.01 . 1 . . . . . 85 TYR C . 53344 1 363 . 1 . 1 85 85 TYR CA C 13 57.180 0.01 . 1 . . . . . 85 TYR CA . 53344 1 364 . 1 . 1 85 85 TYR CB C 13 38.280 0.01 . 1 . . . . . 85 TYR CB . 53344 1 365 . 1 . 1 85 85 TYR N N 15 119.040 0.01 . 1 . . . . . 85 TYR N . 53344 1 366 . 1 . 1 86 86 GLY H H 1 8.079 0.001 . 1 . . . . . 86 GLY H . 53344 1 367 . 1 . 1 86 86 GLY HA2 H 1 4.125 0.001 . 2 . . . . . 86 GLY HA2 . 53344 1 368 . 1 . 1 86 86 GLY HA3 H 1 3.531 0.001 . 2 . . . . . 86 GLY HA3 . 53344 1 369 . 1 . 1 86 86 GLY C C 13 174.770 0.01 . 1 . . . . . 86 GLY C . 53344 1 370 . 1 . 1 86 86 GLY CA C 13 45.680 0.01 . 1 . . . . . 86 GLY CA . 53344 1 371 . 1 . 1 86 86 GLY N N 15 108.410 0.01 . 1 . . . . . 86 GLY N . 53344 1 372 . 1 . 1 87 87 ARG H H 1 8.427 0.001 . 1 . . . . . 87 ARG H . 53344 1 373 . 1 . 1 87 87 ARG HA H 1 4.372 0.001 . 1 . . . . . 87 ARG HA . 53344 1 374 . 1 . 1 87 87 ARG C C 13 177.270 0.01 . 1 . . . . . 87 ARG C . 53344 1 375 . 1 . 1 87 87 ARG CA C 13 55.950 0.01 . 1 . . . . . 87 ARG CA . 53344 1 376 . 1 . 1 87 87 ARG CB C 13 30.420 0.01 . 1 . . . . . 87 ARG CB . 53344 1 377 . 1 . 1 87 87 ARG N N 15 121.360 0.01 . 1 . . . . . 87 ARG N . 53344 1 378 . 1 . 1 88 88 GLY H H 1 8.696 0.001 . 1 . . . . . 88 GLY H . 53344 1 379 . 1 . 1 88 88 GLY HA2 H 1 4.383 0.001 . 2 . . . . . 88 GLY HA2 . 53344 1 380 . 1 . 1 88 88 GLY HA3 H 1 2.627 0.001 . 2 . . . . . 88 GLY HA3 . 53344 1 381 . 1 . 1 88 88 GLY C C 13 172.150 0.01 . 1 . . . . . 88 GLY C . 53344 1 382 . 1 . 1 88 88 GLY CA C 13 45.330 0.01 . 1 . . . . . 88 GLY CA . 53344 1 383 . 1 . 1 88 88 GLY N N 15 108.370 0.01 . 1 . . . . . 88 GLY N . 53344 1 384 . 1 . 1 89 89 LEU H H 1 8.245 0.001 . 1 . . . . . 89 LEU H . 53344 1 385 . 1 . 1 89 89 LEU HA H 1 5.008 0.001 . 1 . . . . . 89 LEU HA . 53344 1 386 . 1 . 1 89 89 LEU C C 13 175.010 0.01 . 1 . . . . . 89 LEU C . 53344 1 387 . 1 . 1 89 89 LEU CA C 13 53.280 0.01 . 1 . . . . . 89 LEU CA . 53344 1 388 . 1 . 1 89 89 LEU CB C 13 42.700 0.01 . 1 . . . . . 89 LEU CB . 53344 1 389 . 1 . 1 89 89 LEU N N 15 125.740 0.01 . 1 . . . . . 89 LEU N . 53344 1 390 . 1 . 1 90 90 ALA H H 1 7.509 0.001 . 1 . . . . . 90 ALA H . 53344 1 391 . 1 . 1 90 90 ALA HA H 1 4.717 0.001 . 1 . . . . . 90 ALA HA . 53344 1 392 . 1 . 1 90 90 ALA C C 13 177.210 0.01 . 1 . . . . . 90 ALA C . 53344 1 393 . 1 . 1 90 90 ALA CA C 13 50.860 0.01 . 1 . . . . . 90 ALA CA . 53344 1 394 . 1 . 1 90 90 ALA CB C 13 24.230 0.01 . 1 . . . . . 90 ALA CB . 53344 1 395 . 1 . 1 90 90 ALA N N 15 120.260 0.01 . 1 . . . . . 90 ALA N . 53344 1 396 . 1 . 1 91 91 TYR H H 1 8.933 0.001 . 1 . . . . . 91 TYR H . 53344 1 397 . 1 . 1 91 91 TYR HA H 1 4.514 0.001 . 1 . . . . . 91 TYR HA . 53344 1 398 . 1 . 1 91 91 TYR C C 13 174.790 0.01 . 1 . . . . . 91 TYR C . 53344 1 399 . 1 . 1 91 91 TYR CA C 13 57.400 0.01 . 1 . . . . . 91 TYR CA . 53344 1 400 . 1 . 1 91 91 TYR CB C 13 37.960 0.01 . 1 . . . . . 91 TYR CB . 53344 1 401 . 1 . 1 91 91 TYR N N 15 122.830 0.01 . 1 . . . . . 91 TYR N . 53344 1 402 . 1 . 1 92 92 ILE H H 1 7.923 0.001 . 1 . . . . . 92 ILE H . 53344 1 403 . 1 . 1 92 92 ILE HA H 1 4.797 0.001 . 1 . . . . . 92 ILE HA . 53344 1 404 . 1 . 1 92 92 ILE C C 13 174.050 0.01 . 1 . . . . . 92 ILE C . 53344 1 405 . 1 . 1 92 92 ILE CA C 13 58.910 0.01 . 1 . . . . . 92 ILE CA . 53344 1 406 . 1 . 1 92 92 ILE CB C 13 39.010 0.01 . 1 . . . . . 92 ILE CB . 53344 1 407 . 1 . 1 92 92 ILE N N 15 122.640 0.01 . 1 . . . . . 92 ILE N . 53344 1 408 . 1 . 1 93 93 TYR H H 1 9.476 0.001 . 1 . . . . . 93 TYR H . 53344 1 409 . 1 . 1 93 93 TYR HA H 1 4.945 0.001 . 1 . . . . . 93 TYR HA . 53344 1 410 . 1 . 1 93 93 TYR C C 13 174.250 0.01 . 1 . . . . . 93 TYR C . 53344 1 411 . 1 . 1 93 93 TYR CA C 13 56.650 0.01 . 1 . . . . . 93 TYR CA . 53344 1 412 . 1 . 1 93 93 TYR CB C 13 41.710 0.01 . 1 . . . . . 93 TYR CB . 53344 1 413 . 1 . 1 93 93 TYR N N 15 126.060 0.01 . 1 . . . . . 93 TYR N . 53344 1 414 . 1 . 1 94 94 ALA H H 1 9.175 0.001 . 1 . . . . . 94 ALA H . 53344 1 415 . 1 . 1 94 94 ALA HA H 1 4.862 0.001 . 1 . . . . . 94 ALA HA . 53344 1 416 . 1 . 1 94 94 ALA C C 13 176.050 0.01 . 1 . . . . . 94 ALA C . 53344 1 417 . 1 . 1 94 94 ALA CA C 13 50.020 0.01 . 1 . . . . . 94 ALA CA . 53344 1 418 . 1 . 1 94 94 ALA CB C 13 21.310 0.01 . 1 . . . . . 94 ALA CB . 53344 1 419 . 1 . 1 94 94 ALA N N 15 125.670 0.01 . 1 . . . . . 94 ALA N . 53344 1 420 . 1 . 1 95 95 ASP H H 1 9.685 0.001 . 1 . . . . . 95 ASP H . 53344 1 421 . 1 . 1 95 95 ASP HA H 1 4.332 0.001 . 1 . . . . . 95 ASP HA . 53344 1 422 . 1 . 1 95 95 ASP C C 13 176.440 0.01 . 1 . . . . . 95 ASP C . 53344 1 423 . 1 . 1 95 95 ASP CA C 13 56.740 0.01 . 1 . . . . . 95 ASP CA . 53344 1 424 . 1 . 1 95 95 ASP CB C 13 39.840 0.01 . 1 . . . . . 95 ASP CB . 53344 1 425 . 1 . 1 95 95 ASP N N 15 127.540 0.01 . 1 . . . . . 95 ASP N . 53344 1 426 . 1 . 1 96 96 GLY H H 1 9.335 0.001 . 1 . . . . . 96 GLY H . 53344 1 427 . 1 . 1 96 96 GLY HA2 H 1 4.114 0.001 . 2 . . . . . 96 GLY HA2 . 53344 1 428 . 1 . 1 96 96 GLY HA3 H 1 3.598 0.001 . 2 . . . . . 96 GLY HA3 . 53344 1 429 . 1 . 1 96 96 GLY C C 13 174.140 0.01 . 1 . . . . . 96 GLY C . 53344 1 430 . 1 . 1 96 96 GLY CA C 13 45.590 0.01 . 1 . . . . . 96 GLY CA . 53344 1 431 . 1 . 1 96 96 GLY N N 15 102.990 0.01 . 1 . . . . . 96 GLY N . 53344 1 432 . 1 . 1 97 97 LYS H H 1 7.799 0.001 . 1 . . . . . 97 LYS H . 53344 1 433 . 1 . 1 97 97 LYS HA H 1 4.590 0.001 . 1 . . . . . 97 LYS HA . 53344 1 434 . 1 . 1 97 97 LYS C C 13 176.320 0.01 . 1 . . . . . 97 LYS C . 53344 1 435 . 1 . 1 97 97 LYS CA C 13 54.640 0.01 . 1 . . . . . 97 LYS CA . 53344 1 436 . 1 . 1 97 97 LYS CB C 13 33.540 0.01 . 1 . . . . . 97 LYS CB . 53344 1 437 . 1 . 1 97 97 LYS N N 15 121.310 0.01 . 1 . . . . . 97 LYS N . 53344 1 438 . 1 . 1 98 98 MET H H 1 9.161 0.001 . 1 . . . . . 98 MET H . 53344 1 439 . 1 . 1 98 98 MET HA H 1 4.520 0.001 . 1 . . . . . 98 MET HA . 53344 1 440 . 1 . 1 98 98 MET C C 13 177.930 0.01 . 1 . . . . . 98 MET C . 53344 1 441 . 1 . 1 98 98 MET CA C 13 56.430 0.01 . 1 . . . . . 98 MET CA . 53344 1 442 . 1 . 1 98 98 MET CB C 13 35.100 0.01 . 1 . . . . . 98 MET CB . 53344 1 443 . 1 . 1 98 98 MET N N 15 126.760 0.01 . 1 . . . . . 98 MET N . 53344 1 444 . 1 . 1 99 99 VAL H H 1 10.150 0.001 . 1 . . . . . 99 VAL H . 53344 1 445 . 1 . 1 99 99 VAL HA H 1 3.684 0.001 . 1 . . . . . 99 VAL HA . 53344 1 446 . 1 . 1 99 99 VAL C C 13 177.430 0.01 . 1 . . . . . 99 VAL C . 53344 1 447 . 1 . 1 99 99 VAL CA C 13 66.130 0.01 . 1 . . . . . 99 VAL CA . 53344 1 448 . 1 . 1 99 99 VAL CB C 13 32.760 0.01 . 1 . . . . . 99 VAL CB . 53344 1 449 . 1 . 1 99 99 VAL N N 15 136.160 0.01 . 1 . . . . . 99 VAL N . 53344 1 450 . 1 . 1 100 100 ASN H H 1 9.680 0.001 . 1 . . . . . 100 ASN H . 53344 1 451 . 1 . 1 100 100 ASN HA H 1 3.984 0.001 . 1 . . . . . 100 ASN HA . 53344 1 452 . 1 . 1 100 100 ASN C C 13 174.650 0.01 . 1 . . . . . 100 ASN C . 53344 1 453 . 1 . 1 100 100 ASN CA C 13 57.180 0.01 . 1 . . . . . 100 ASN CA . 53344 1 454 . 1 . 1 100 100 ASN CB C 13 35.010 0.01 . 1 . . . . . 100 ASN CB . 53344 1 455 . 1 . 1 100 100 ASN N N 15 108.430 0.01 . 1 . . . . . 100 ASN N . 53344 1 456 . 1 . 1 101 101 GLU H H 1 6.069 0.001 . 1 . . . . . 101 GLU H . 53344 1 457 . 1 . 1 101 101 GLU HA H 1 3.539 0.001 . 1 . . . . . 101 GLU HA . 53344 1 458 . 1 . 1 101 101 GLU C C 13 176.340 0.01 . 1 . . . . . 101 GLU C . 53344 1 459 . 1 . 1 101 101 GLU CA C 13 59.950 0.01 . 1 . . . . . 101 GLU CA . 53344 1 460 . 1 . 1 101 101 GLU CB C 13 30.210 0.01 . 1 . . . . . 101 GLU CB . 53344 1 461 . 1 . 1 101 101 GLU N N 15 112.310 0.01 . 1 . . . . . 101 GLU N . 53344 1 462 . 1 . 1 102 102 ALA H H 1 7.726 0.001 . 1 . . . . . 102 ALA H . 53344 1 463 . 1 . 1 102 102 ALA HA H 1 3.957 0.001 . 1 . . . . . 102 ALA HA . 53344 1 464 . 1 . 1 102 102 ALA C C 13 180.040 0.01 . 1 . . . . . 102 ALA C . 53344 1 465 . 1 . 1 102 102 ALA CA C 13 55.580 0.01 . 1 . . . . . 102 ALA CA . 53344 1 466 . 1 . 1 102 102 ALA CB C 13 18.450 0.01 . 1 . . . . . 102 ALA CB . 53344 1 467 . 1 . 1 102 102 ALA N N 15 122.650 0.01 . 1 . . . . . 102 ALA N . 53344 1 468 . 1 . 1 103 103 LEU H H 1 7.859 0.001 . 1 . . . . . 103 LEU H . 53344 1 469 . 1 . 1 103 103 LEU HA H 1 3.174 0.001 . 1 . . . . . 103 LEU HA . 53344 1 470 . 1 . 1 103 103 LEU C C 13 179.040 0.01 . 1 . . . . . 103 LEU C . 53344 1 471 . 1 . 1 103 103 LEU CA C 13 58.220 0.01 . 1 . . . . . 103 LEU CA . 53344 1 472 . 1 . 1 103 103 LEU CB C 13 45.410 0.01 . 1 . . . . . 103 LEU CB . 53344 1 473 . 1 . 1 103 103 LEU N N 15 116.120 0.01 . 1 . . . . . 103 LEU N . 53344 1 474 . 1 . 1 104 104 VAL H H 1 6.687 0.001 . 1 . . . . . 104 VAL H . 53344 1 475 . 1 . 1 104 104 VAL HA H 1 3.772 0.001 . 1 . . . . . 104 VAL HA . 53344 1 476 . 1 . 1 104 104 VAL C C 13 180.590 0.01 . 1 . . . . . 104 VAL C . 53344 1 477 . 1 . 1 104 104 VAL CA C 13 65.260 0.01 . 1 . . . . . 104 VAL CA . 53344 1 478 . 1 . 1 104 104 VAL CB C 13 32.400 0.01 . 1 . . . . . 104 VAL CB . 53344 1 479 . 1 . 1 104 104 VAL N N 15 116.780 0.01 . 1 . . . . . 104 VAL N . 53344 1 480 . 1 . 1 105 105 ARG H H 1 9.126 0.001 . 1 . . . . . 105 ARG H . 53344 1 481 . 1 . 1 105 105 ARG HA H 1 3.923 0.001 . 1 . . . . . 105 ARG HA . 53344 1 482 . 1 . 1 105 105 ARG C C 13 176.140 0.01 . 1 . . . . . 105 ARG C . 53344 1 483 . 1 . 1 105 105 ARG CA C 13 56.990 0.01 . 1 . . . . . 105 ARG CA . 53344 1 484 . 1 . 1 105 105 ARG CB C 13 28.650 0.01 . 1 . . . . . 105 ARG CB . 53344 1 485 . 1 . 1 105 105 ARG N N 15 122.560 0.01 . 1 . . . . . 105 ARG N . 53344 1 486 . 1 . 1 106 106 GLN H H 1 7.004 0.001 . 1 . . . . . 106 GLN H . 53344 1 487 . 1 . 1 106 106 GLN HA H 1 4.228 0.001 . 1 . . . . . 106 GLN HA . 53344 1 488 . 1 . 1 106 106 GLN C C 13 175.890 0.01 . 1 . . . . . 106 GLN C . 53344 1 489 . 1 . 1 106 106 GLN CA C 13 54.040 0.01 . 1 . . . . . 106 GLN CA . 53344 1 490 . 1 . 1 106 106 GLN CB C 13 28.910 0.01 . 1 . . . . . 106 GLN CB . 53344 1 491 . 1 . 1 106 106 GLN N N 15 112.080 0.01 . 1 . . . . . 106 GLN N . 53344 1 492 . 1 . 1 107 107 GLY H H 1 7.998 0.001 . 1 . . . . . 107 GLY H . 53344 1 493 . 1 . 1 107 107 GLY HA2 H 1 3.924 0.001 . 2 . . . . . 107 GLY HA2 . 53344 1 494 . 1 . 1 107 107 GLY HA3 H 1 3.780 0.001 . 2 . . . . . 107 GLY HA3 . 53344 1 495 . 1 . 1 107 107 GLY C C 13 172.670 0.01 . 1 . . . . . 107 GLY C . 53344 1 496 . 1 . 1 107 107 GLY CA C 13 46.750 0.01 . 1 . . . . . 107 GLY CA . 53344 1 497 . 1 . 1 107 107 GLY N N 15 107.040 0.01 . 1 . . . . . 107 GLY N . 53344 1 498 . 1 . 1 108 108 LEU H H 1 7.716 0.001 . 1 . . . . . 108 LEU H . 53344 1 499 . 1 . 1 108 108 LEU HA H 1 4.189 0.001 . 1 . . . . . 108 LEU HA . 53344 1 500 . 1 . 1 108 108 LEU C C 13 172.870 0.01 . 1 . . . . . 108 LEU C . 53344 1 501 . 1 . 1 108 108 LEU CA C 13 53.570 0.01 . 1 . . . . . 108 LEU CA . 53344 1 502 . 1 . 1 108 108 LEU CB C 13 43.740 0.01 . 1 . . . . . 108 LEU CB . 53344 1 503 . 1 . 1 108 108 LEU N N 15 115.060 0.01 . 1 . . . . . 108 LEU N . 53344 1 504 . 1 . 1 109 109 ALA H H 1 6.931 0.001 . 1 . . . . . 109 ALA H . 53344 1 505 . 1 . 1 109 109 ALA HA H 1 4.327 0.001 . 1 . . . . . 109 ALA HA . 53344 1 506 . 1 . 1 109 109 ALA C C 13 175.070 0.01 . 1 . . . . . 109 ALA C . 53344 1 507 . 1 . 1 109 109 ALA CA C 13 50.580 0.01 . 1 . . . . . 109 ALA CA . 53344 1 508 . 1 . 1 109 109 ALA CB C 13 24.750 0.01 . 1 . . . . . 109 ALA CB . 53344 1 509 . 1 . 1 109 109 ALA N N 15 112.810 0.01 . 1 . . . . . 109 ALA N . 53344 1 510 . 1 . 1 110 110 LYS H H 1 8.042 0.001 . 1 . . . . . 110 LYS H . 53344 1 511 . 1 . 1 110 110 LYS HA H 1 4.974 0.001 . 1 . . . . . 110 LYS HA . 53344 1 512 . 1 . 1 110 110 LYS C C 13 176.040 0.01 . 1 . . . . . 110 LYS C . 53344 1 513 . 1 . 1 110 110 LYS CA C 13 54.380 0.01 . 1 . . . . . 110 LYS CA . 53344 1 514 . 1 . 1 110 110 LYS CB C 13 35.940 0.01 . 1 . . . . . 110 LYS CB . 53344 1 515 . 1 . 1 110 110 LYS N N 15 117.860 0.01 . 1 . . . . . 110 LYS N . 53344 1 516 . 1 . 1 111 111 VAL H H 1 9.083 0.001 . 1 . . . . . 111 VAL H . 53344 1 517 . 1 . 1 111 111 VAL HA H 1 4.330 0.001 . 1 . . . . . 111 VAL HA . 53344 1 518 . 1 . 1 111 111 VAL C C 13 176.850 0.01 . 1 . . . . . 111 VAL C . 53344 1 519 . 1 . 1 111 111 VAL CA C 13 64.030 0.01 . 1 . . . . . 111 VAL CA . 53344 1 520 . 1 . 1 111 111 VAL CB C 13 31.100 0.01 . 1 . . . . . 111 VAL CB . 53344 1 521 . 1 . 1 111 111 VAL N N 15 122.210 0.01 . 1 . . . . . 111 VAL N . 53344 1 522 . 1 . 1 112 112 ALA H H 1 7.820 0.001 . 1 . . . . . 112 ALA H . 53344 1 523 . 1 . 1 112 112 ALA HA H 1 4.089 0.001 . 1 . . . . . 112 ALA HA . 53344 1 524 . 1 . 1 112 112 ALA C C 13 175.350 0.01 . 1 . . . . . 112 ALA C . 53344 1 525 . 1 . 1 112 112 ALA CA C 13 51.400 0.01 . 1 . . . . . 112 ALA CA . 53344 1 526 . 1 . 1 112 112 ALA CB C 13 22.350 0.01 . 1 . . . . . 112 ALA CB . 53344 1 527 . 1 . 1 112 112 ALA N N 15 132.270 0.01 . 1 . . . . . 112 ALA N . 53344 1 528 . 1 . 1 113 113 TYR H H 1 8.147 0.001 . 1 . . . . . 113 TYR H . 53344 1 529 . 1 . 1 113 113 TYR HA H 1 3.911 0.001 . 1 . . . . . 113 TYR HA . 53344 1 530 . 1 . 1 113 113 TYR C C 13 175.870 0.01 . 1 . . . . . 113 TYR C . 53344 1 531 . 1 . 1 113 113 TYR CA C 13 59.410 0.01 . 1 . . . . . 113 TYR CA . 53344 1 532 . 1 . 1 113 113 TYR CB C 13 37.550 0.01 . 1 . . . . . 113 TYR CB . 53344 1 533 . 1 . 1 113 113 TYR N N 15 117.270 0.01 . 1 . . . . . 113 TYR N . 53344 1 534 . 1 . 1 114 114 VAL H H 1 7.555 0.001 . 1 . . . . . 114 VAL H . 53344 1 535 . 1 . 1 114 114 VAL HA H 1 3.634 0.001 . 1 . . . . . 114 VAL HA . 53344 1 536 . 1 . 1 114 114 VAL C C 13 174.670 0.01 . 1 . . . . . 114 VAL C . 53344 1 537 . 1 . 1 114 114 VAL CA C 13 62.460 0.01 . 1 . . . . . 114 VAL CA . 53344 1 538 . 1 . 1 114 114 VAL CB C 13 32.860 0.01 . 1 . . . . . 114 VAL CB . 53344 1 539 . 1 . 1 114 114 VAL N N 15 125.500 0.01 . 1 . . . . . 114 VAL N . 53344 1 540 . 1 . 1 115 115 TYR H H 1 8.858 0.001 . 1 . . . . . 115 TYR H . 53344 1 541 . 1 . 1 115 115 TYR HA H 1 4.653 0.001 . 1 . . . . . 115 TYR HA . 53344 1 542 . 1 . 1 115 115 TYR C C 13 176.100 0.01 . 1 . . . . . 115 TYR C . 53344 1 543 . 1 . 1 115 115 TYR CA C 13 56.240 0.01 . 1 . . . . . 115 TYR CA . 53344 1 544 . 1 . 1 115 115 TYR CB C 13 38.850 0.01 . 1 . . . . . 115 TYR CB . 53344 1 545 . 1 . 1 115 115 TYR N N 15 127.060 0.01 . 1 . . . . . 115 TYR N . 53344 1 546 . 1 . 1 117 117 PRO C C 13 175.690 0.01 . 1 . . . . . 117 PRO C . 53344 1 547 . 1 . 1 117 117 PRO CA C 13 64.280 0.01 . 1 . . . . . 117 PRO CA . 53344 1 548 . 1 . 1 117 117 PRO CB C 13 32.600 0.01 . 1 . . . . . 117 PRO CB . 53344 1 549 . 1 . 1 118 118 ASN H H 1 8.606 0.001 . 1 . . . . . 118 ASN H . 53344 1 550 . 1 . 1 118 118 ASN HA H 1 5.192 0.001 . 1 . . . . . 118 ASN HA . 53344 1 551 . 1 . 1 118 118 ASN C C 13 174.530 0.01 . 1 . . . . . 118 ASN C . 53344 1 552 . 1 . 1 118 118 ASN CA C 13 51.780 0.01 . 1 . . . . . 118 ASN CA . 53344 1 553 . 1 . 1 118 118 ASN CB C 13 36.510 0.01 . 1 . . . . . 118 ASN CB . 53344 1 554 . 1 . 1 118 118 ASN N N 15 127.760 0.01 . 1 . . . . . 118 ASN N . 53344 1 555 . 1 . 1 119 119 ASN H H 1 7.996 0.001 . 1 . . . . . 119 ASN H . 53344 1 556 . 1 . 1 119 119 ASN HA H 1 4.785 0.001 . 1 . . . . . 119 ASN HA . 53344 1 557 . 1 . 1 119 119 ASN C C 13 177.980 0.01 . 1 . . . . . 119 ASN C . 53344 1 558 . 1 . 1 119 119 ASN CA C 13 52.400 0.01 . 1 . . . . . 119 ASN CA . 53344 1 559 . 1 . 1 119 119 ASN CB C 13 40.100 0.01 . 1 . . . . . 119 ASN CB . 53344 1 560 . 1 . 1 119 119 ASN N N 15 117.840 0.01 . 1 . . . . . 119 ASN N . 53344 1 561 . 1 . 1 120 120 THR H H 1 10.680 0.001 . 1 . . . . . 120 THR H . 53344 1 562 . 1 . 1 120 120 THR HA H 1 4.350 0.001 . 1 . . . . . 120 THR HA . 53344 1 563 . 1 . 1 120 120 THR C C 13 176.760 0.01 . 1 . . . . . 120 THR C . 53344 1 564 . 1 . 1 120 120 THR CA C 13 69.560 0.01 . 1 . . . . . 120 THR CA . 53344 1 565 . 1 . 1 120 120 THR CB C 13 67.010 0.01 . 1 . . . . . 120 THR CB . 53344 1 566 . 1 . 1 120 120 THR N N 15 124.170 0.01 . 1 . . . . . 120 THR N . 53344 1 567 . 1 . 1 121 121 HIS H H 1 6.720 0.001 . 1 . . . . . 121 HIS H . 53344 1 568 . 1 . 1 121 121 HIS HA H 1 4.630 0.001 . 1 . . . . . 121 HIS HA . 53344 1 569 . 1 . 1 121 121 HIS C C 13 175.400 0.01 . 1 . . . . . 121 HIS C . 53344 1 570 . 1 . 1 121 121 HIS CA C 13 54.570 0.01 . 1 . . . . . 121 HIS CA . 53344 1 571 . 1 . 1 121 121 HIS CB C 13 30.160 0.01 . 1 . . . . . 121 HIS CB . 53344 1 572 . 1 . 1 121 121 HIS N N 15 113.100 0.01 . 1 . . . . . 121 HIS N . 53344 1 573 . 1 . 1 122 122 GLU H H 1 7.427 0.001 . 1 . . . . . 122 GLU H . 53344 1 574 . 1 . 1 122 122 GLU HA H 1 4.290 0.001 . 1 . . . . . 122 GLU HA . 53344 1 575 . 1 . 1 122 122 GLU C C 13 177.430 0.01 . 1 . . . . . 122 GLU C . 53344 1 576 . 1 . 1 122 122 GLU CA C 13 61.550 0.01 . 1 . . . . . 122 GLU CA . 53344 1 577 . 1 . 1 122 122 GLU CB C 13 30.520 0.01 . 1 . . . . . 122 GLU CB . 53344 1 578 . 1 . 1 122 122 GLU N N 15 120.230 0.01 . 1 . . . . . 122 GLU N . 53344 1 579 . 1 . 1 123 123 GLN H H 1 8.889 0.001 . 1 . . . . . 123 GLN H . 53344 1 580 . 1 . 1 123 123 GLN HA H 1 4.370 0.001 . 1 . . . . . 123 GLN HA . 53344 1 581 . 1 . 1 123 123 GLN C C 13 178.970 0.01 . 1 . . . . . 123 GLN C . 53344 1 582 . 1 . 1 123 123 GLN CA C 13 59.880 0.01 . 1 . . . . . 123 GLN CA . 53344 1 583 . 1 . 1 123 123 GLN CB C 13 27.660 0.01 . 1 . . . . . 123 GLN CB . 53344 1 584 . 1 . 1 123 123 GLN N N 15 117.290 0.01 . 1 . . . . . 123 GLN N . 53344 1 585 . 1 . 1 124 124 HIS H H 1 8.134 0.001 . 1 . . . . . 124 HIS H . 53344 1 586 . 1 . 1 124 124 HIS HA H 1 4.317 0.001 . 1 . . . . . 124 HIS HA . 53344 1 587 . 1 . 1 124 124 HIS C C 13 178.040 0.01 . 1 . . . . . 124 HIS C . 53344 1 588 . 1 . 1 124 124 HIS CA C 13 59.410 0.01 . 1 . . . . . 124 HIS CA . 53344 1 589 . 1 . 1 124 124 HIS CB C 13 31.460 0.01 . 1 . . . . . 124 HIS CB . 53344 1 590 . 1 . 1 124 124 HIS N N 15 120.410 0.01 . 1 . . . . . 124 HIS N . 53344 1 591 . 1 . 1 125 125 LEU H H 1 8.100 0.001 . 1 . . . . . 125 LEU H . 53344 1 592 . 1 . 1 125 125 LEU HA H 1 3.823 0.001 . 1 . . . . . 125 LEU HA . 53344 1 593 . 1 . 1 125 125 LEU C C 13 179.460 0.01 . 1 . . . . . 125 LEU C . 53344 1 594 . 1 . 1 125 125 LEU CA C 13 59.290 0.01 . 1 . . . . . 125 LEU CA . 53344 1 595 . 1 . 1 125 125 LEU CB C 13 41.400 0.01 . 1 . . . . . 125 LEU CB . 53344 1 596 . 1 . 1 125 125 LEU N N 15 118.310 0.01 . 1 . . . . . 125 LEU N . 53344 1 597 . 1 . 1 126 126 ARG H H 1 8.842 0.001 . 1 . . . . . 126 ARG H . 53344 1 598 . 1 . 1 126 126 ARG HA H 1 3.910 0.001 . 1 . . . . . 126 ARG HA . 53344 1 599 . 1 . 1 126 126 ARG C C 13 179.920 0.01 . 1 . . . . . 126 ARG C . 53344 1 600 . 1 . 1 126 126 ARG CA C 13 60.700 0.01 . 1 . . . . . 126 ARG CA . 53344 1 601 . 1 . 1 126 126 ARG CB C 13 29.430 0.01 . 1 . . . . . 126 ARG CB . 53344 1 602 . 1 . 1 126 126 ARG N N 15 118.450 0.01 . 1 . . . . . 126 ARG N . 53344 1 603 . 1 . 1 127 127 LYS H H 1 7.929 0.001 . 1 . . . . . 127 LYS H . 53344 1 604 . 1 . 1 127 127 LYS HA H 1 4.039 0.001 . 1 . . . . . 127 LYS HA . 53344 1 605 . 1 . 1 127 127 LYS C C 13 180.080 0.01 . 1 . . . . . 127 LYS C . 53344 1 606 . 1 . 1 127 127 LYS CA C 13 60.130 0.01 . 1 . . . . . 127 LYS CA . 53344 1 607 . 1 . 1 127 127 LYS CB C 13 32.080 0.01 . 1 . . . . . 127 LYS CB . 53344 1 608 . 1 . 1 127 127 LYS N N 15 122.550 0.01 . 1 . . . . . 127 LYS N . 53344 1 609 . 1 . 1 128 128 SER H H 1 7.588 0.001 . 1 . . . . . 128 SER H . 53344 1 610 . 1 . 1 128 128 SER HA H 1 4.167 0.001 . 1 . . . . . 128 SER HA . 53344 1 611 . 1 . 1 128 128 SER C C 13 175.730 0.01 . 1 . . . . . 128 SER C . 53344 1 612 . 1 . 1 128 128 SER CA C 13 63.500 0.01 . 1 . . . . . 128 SER CA . 53344 1 613 . 1 . 1 128 128 SER CB C 13 62.320 0.01 . 1 . . . . . 128 SER CB . 53344 1 614 . 1 . 1 128 128 SER N N 15 118.260 0.01 . 1 . . . . . 128 SER N . 53344 1 615 . 1 . 1 129 129 GLU H H 1 8.397 0.001 . 1 . . . . . 129 GLU H . 53344 1 616 . 1 . 1 129 129 GLU HA H 1 3.781 0.001 . 1 . . . . . 129 GLU HA . 53344 1 617 . 1 . 1 129 129 GLU C C 13 177.550 0.01 . 1 . . . . . 129 GLU C . 53344 1 618 . 1 . 1 129 129 GLU CA C 13 59.570 0.01 . 1 . . . . . 129 GLU CA . 53344 1 619 . 1 . 1 129 129 GLU CB C 13 31.510 0.01 . 1 . . . . . 129 GLU CB . 53344 1 620 . 1 . 1 129 129 GLU N N 15 124.970 0.01 . 1 . . . . . 129 GLU N . 53344 1 621 . 1 . 1 130 130 ALA H H 1 7.865 0.001 . 1 . . . . . 130 ALA H . 53344 1 622 . 1 . 1 130 130 ALA HA H 1 3.754 0.001 . 1 . . . . . 130 ALA HA . 53344 1 623 . 1 . 1 130 130 ALA C C 13 181.250 0.01 . 1 . . . . . 130 ALA C . 53344 1 624 . 1 . 1 130 130 ALA CA C 13 55.040 0.01 . 1 . . . . . 130 ALA CA . 53344 1 625 . 1 . 1 130 130 ALA CB C 13 17.830 0.01 . 1 . . . . . 130 ALA CB . 53344 1 626 . 1 . 1 130 130 ALA N N 15 119.310 0.01 . 1 . . . . . 130 ALA N . 53344 1 627 . 1 . 1 131 131 GLN H H 1 7.439 0.001 . 1 . . . . . 131 GLN H . 53344 1 628 . 1 . 1 131 131 GLN HA H 1 3.877 0.001 . 1 . . . . . 131 GLN HA . 53344 1 629 . 1 . 1 131 131 GLN C C 13 177.450 0.01 . 1 . . . . . 131 GLN C . 53344 1 630 . 1 . 1 131 131 GLN CA C 13 58.940 0.01 . 1 . . . . . 131 GLN CA . 53344 1 631 . 1 . 1 131 131 GLN CB C 13 28.390 0.01 . 1 . . . . . 131 GLN CB . 53344 1 632 . 1 . 1 131 131 GLN N N 15 118.770 0.01 . 1 . . . . . 131 GLN N . 53344 1 633 . 1 . 1 132 132 ALA H H 1 7.854 0.001 . 1 . . . . . 132 ALA H . 53344 1 634 . 1 . 1 132 132 ALA HA H 1 3.823 0.001 . 1 . . . . . 132 ALA HA . 53344 1 635 . 1 . 1 132 132 ALA C C 13 179.670 0.01 . 1 . . . . . 132 ALA C . 53344 1 636 . 1 . 1 132 132 ALA CA C 13 55.950 0.01 . 1 . . . . . 132 ALA CA . 53344 1 637 . 1 . 1 132 132 ALA CB C 13 18.810 0.01 . 1 . . . . . 132 ALA CB . 53344 1 638 . 1 . 1 132 132 ALA N N 15 123.100 0.01 . 1 . . . . . 132 ALA N . 53344 1 639 . 1 . 1 133 133 LYS H H 1 8.032 0.001 . 1 . . . . . 133 LYS H . 53344 1 640 . 1 . 1 133 133 LYS HA H 1 3.339 0.001 . 1 . . . . . 133 LYS HA . 53344 1 641 . 1 . 1 133 133 LYS C C 13 181.110 0.01 . 1 . . . . . 133 LYS C . 53344 1 642 . 1 . 1 133 133 LYS CA C 13 59.760 0.01 . 1 . . . . . 133 LYS CA . 53344 1 643 . 1 . 1 133 133 LYS CB C 13 32.600 0.01 . 1 . . . . . 133 LYS CB . 53344 1 644 . 1 . 1 133 133 LYS N N 15 117.180 0.01 . 1 . . . . . 133 LYS N . 53344 1 645 . 1 . 1 134 134 LYS H H 1 7.755 0.001 . 1 . . . . . 134 LYS H . 53344 1 646 . 1 . 1 134 134 LYS HA H 1 3.852 0.001 . 1 . . . . . 134 LYS HA . 53344 1 647 . 1 . 1 134 134 LYS C C 13 178.970 0.01 . 1 . . . . . 134 LYS C . 53344 1 648 . 1 . 1 134 134 LYS CA C 13 59.440 0.01 . 1 . . . . . 134 LYS CA . 53344 1 649 . 1 . 1 134 134 LYS CB C 13 32.660 0.01 . 1 . . . . . 134 LYS CB . 53344 1 650 . 1 . 1 134 134 LYS N N 15 122.520 0.01 . 1 . . . . . 134 LYS N . 53344 1 651 . 1 . 1 135 135 GLU H H 1 7.575 0.001 . 1 . . . . . 135 GLU H . 53344 1 652 . 1 . 1 135 135 GLU HA H 1 3.922 0.001 . 1 . . . . . 135 GLU HA . 53344 1 653 . 1 . 1 135 135 GLU C C 13 174.750 0.01 . 1 . . . . . 135 GLU C . 53344 1 654 . 1 . 1 135 135 GLU CA C 13 56.800 0.01 . 1 . . . . . 135 GLU CA . 53344 1 655 . 1 . 1 135 135 GLU CB C 13 30.260 0.01 . 1 . . . . . 135 GLU CB . 53344 1 656 . 1 . 1 135 135 GLU N N 15 116.430 0.01 . 1 . . . . . 135 GLU N . 53344 1 657 . 1 . 1 136 136 LYS H H 1 7.750 0.001 . 1 . . . . . 136 LYS H . 53344 1 658 . 1 . 1 136 136 LYS HA H 1 3.462 0.001 . 1 . . . . . 136 LYS HA . 53344 1 659 . 1 . 1 136 136 LYS C C 13 175.310 0.01 . 1 . . . . . 136 LYS C . 53344 1 660 . 1 . 1 136 136 LYS CA C 13 57.020 0.01 . 1 . . . . . 136 LYS CA . 53344 1 661 . 1 . 1 136 136 LYS CB C 13 29.530 0.01 . 1 . . . . . 136 LYS CB . 53344 1 662 . 1 . 1 136 136 LYS N N 15 116.710 0.01 . 1 . . . . . 136 LYS N . 53344 1 663 . 1 . 1 137 137 LEU H H 1 7.555 0.001 . 1 . . . . . 137 LEU H . 53344 1 664 . 1 . 1 137 137 LEU HA H 1 4.091 0.001 . 1 . . . . . 137 LEU HA . 53344 1 665 . 1 . 1 137 137 LEU C C 13 178.810 0.01 . 1 . . . . . 137 LEU C . 53344 1 666 . 1 . 1 137 137 LEU CA C 13 55.200 0.01 . 1 . . . . . 137 LEU CA . 53344 1 667 . 1 . 1 137 137 LEU CB C 13 44.310 0.01 . 1 . . . . . 137 LEU CB . 53344 1 668 . 1 . 1 137 137 LEU N N 15 116.960 0.01 . 1 . . . . . 137 LEU N . 53344 1 669 . 1 . 1 138 138 ASN H H 1 9.031 0.001 . 1 . . . . . 138 ASN H . 53344 1 670 . 1 . 1 138 138 ASN C C 13 176.630 0.01 . 1 . . . . . 138 ASN C . 53344 1 671 . 1 . 1 138 138 ASN CA C 13 56.740 0.01 . 1 . . . . . 138 ASN CA . 53344 1 672 . 1 . 1 138 138 ASN CB C 13 39.060 0.01 . 1 . . . . . 138 ASN CB . 53344 1 673 . 1 . 1 138 138 ASN N N 15 119.030 0.01 . 1 . . . . . 138 ASN N . 53344 1 674 . 1 . 1 139 139 ILE C C 13 177.060 0.01 . 1 . . . . . 139 ILE C . 53344 1 675 . 1 . 1 139 139 ILE CA C 13 65.950 0.01 . 1 . . . . . 139 ILE CA . 53344 1 676 . 1 . 1 139 139 ILE CB C 13 37.500 0.01 . 1 . . . . . 139 ILE CB . 53344 1 677 . 1 . 1 140 140 TRP H H 1 7.762 0.001 . 1 . . . . . 140 TRP H . 53344 1 678 . 1 . 1 140 140 TRP C C 13 176.450 0.01 . 1 . . . . . 140 TRP C . 53344 1 679 . 1 . 1 140 140 TRP CA C 13 55.140 0.01 . 1 . . . . . 140 TRP CA . 53344 1 680 . 1 . 1 140 140 TRP CB C 13 30.420 0.01 . 1 . . . . . 140 TRP CB . 53344 1 681 . 1 . 1 140 140 TRP N N 15 119.530 0.01 . 1 . . . . . 140 TRP N . 53344 1 682 . 1 . 1 141 141 SER H H 1 8.028 0.001 . 1 . . . . . 141 SER H . 53344 1 683 . 1 . 1 141 141 SER C C 13 175.450 0.01 . 1 . . . . . 141 SER C . 53344 1 684 . 1 . 1 141 141 SER CA C 13 60.200 0.01 . 1 . . . . . 141 SER CA . 53344 1 685 . 1 . 1 141 141 SER CB C 13 64.560 0.01 . 1 . . . . . 141 SER CB . 53344 1 686 . 1 . 1 141 141 SER N N 15 116.220 0.01 . 1 . . . . . 141 SER N . 53344 1 687 . 1 . 1 142 142 GLU H H 1 7.858 0.001 . 1 . . . . . 142 GLU H . 53344 1 688 . 1 . 1 142 142 GLU C C 13 176.450 0.01 . 1 . . . . . 142 GLU C . 53344 1 689 . 1 . 1 142 142 GLU CA C 13 56.330 0.01 . 1 . . . . . 142 GLU CA . 53344 1 690 . 1 . 1 142 142 GLU CB C 13 30.780 0.01 . 1 . . . . . 142 GLU CB . 53344 1 691 . 1 . 1 142 142 GLU N N 15 121.160 0.01 . 1 . . . . . 142 GLU N . 53344 1 692 . 1 . 1 143 143 ASP H H 1 8.295 0.001 . 1 . . . . . 143 ASP H . 53344 1 693 . 1 . 1 143 143 ASP C C 13 176.300 0.01 . 1 . . . . . 143 ASP C . 53344 1 694 . 1 . 1 143 143 ASP CA C 13 55.040 0.01 . 1 . . . . . 143 ASP CA . 53344 1 695 . 1 . 1 143 143 ASP CB C 13 41.500 0.01 . 1 . . . . . 143 ASP CB . 53344 1 696 . 1 . 1 143 143 ASP N N 15 121.290 0.01 . 1 . . . . . 143 ASP N . 53344 1 697 . 1 . 1 144 144 ASN H H 1 8.332 0.001 . 1 . . . . . 144 ASN H . 53344 1 698 . 1 . 1 144 144 ASN C C 13 175.500 0.01 . 1 . . . . . 144 ASN C . 53344 1 699 . 1 . 1 144 144 ASN CA C 13 53.410 0.01 . 1 . . . . . 144 ASN CA . 53344 1 700 . 1 . 1 144 144 ASN CB C 13 39.420 0.01 . 1 . . . . . 144 ASN CB . 53344 1 701 . 1 . 1 144 144 ASN N N 15 119.310 0.01 . 1 . . . . . 144 ASN N . 53344 1 702 . 1 . 1 145 145 ALA H H 1 8.175 0.001 . 1 . . . . . 145 ALA H . 53344 1 703 . 1 . 1 145 145 ALA C C 13 178.010 0.01 . 1 . . . . . 145 ALA C . 53344 1 704 . 1 . 1 145 145 ALA CA C 13 53.500 0.01 . 1 . . . . . 145 ALA CA . 53344 1 705 . 1 . 1 145 145 ALA CB C 13 19.540 0.01 . 1 . . . . . 145 ALA CB . 53344 1 706 . 1 . 1 145 145 ALA N N 15 123.990 0.01 . 1 . . . . . 145 ALA N . 53344 1 707 . 1 . 1 146 146 ASP H H 1 8.292 0.001 . 1 . . . . . 146 ASP H . 53344 1 708 . 1 . 1 146 146 ASP C C 13 176.920 0.01 . 1 . . . . . 146 ASP C . 53344 1 709 . 1 . 1 146 146 ASP CA C 13 54.640 0.01 . 1 . . . . . 146 ASP CA . 53344 1 710 . 1 . 1 146 146 ASP CB C 13 41.450 0.01 . 1 . . . . . 146 ASP CB . 53344 1 711 . 1 . 1 146 146 ASP N N 15 118.970 0.01 . 1 . . . . . 146 ASP N . 53344 1 712 . 1 . 1 147 147 SER H H 1 8.178 0.001 . 1 . . . . . 147 SER H . 53344 1 713 . 1 . 1 147 147 SER C C 13 175.620 0.01 . 1 . . . . . 147 SER C . 53344 1 714 . 1 . 1 147 147 SER CA C 13 59.190 0.01 . 1 . . . . . 147 SER CA . 53344 1 715 . 1 . 1 147 147 SER CB C 13 64.090 0.01 . 1 . . . . . 147 SER CB . 53344 1 716 . 1 . 1 147 147 SER N N 15 116.550 0.01 . 1 . . . . . 147 SER N . 53344 1 717 . 1 . 1 148 148 GLY H H 1 8.411 0.001 . 1 . . . . . 148 GLY H . 53344 1 718 . 1 . 1 148 148 GLY C C 13 174.260 0.01 . 1 . . . . . 148 GLY C . 53344 1 719 . 1 . 1 148 148 GLY CA C 13 45.710 0.01 . 1 . . . . . 148 GLY CA . 53344 1 720 . 1 . 1 148 148 GLY N N 15 110.570 0.01 . 1 . . . . . 148 GLY N . 53344 1 721 . 1 . 1 149 149 GLN H H 1 8.074 0.001 . 1 . . . . . 149 GLN H . 53344 1 722 . 1 . 1 149 149 GLN HA H 1 4.254 0.001 . 1 . . . . . 149 GLN HA . 53344 1 723 . 1 . 1 149 149 GLN C C 13 175.400 0.01 . 1 . . . . . 149 GLN C . 53344 1 724 . 1 . 1 149 149 GLN CA C 13 56.170 0.01 . 1 . . . . . 149 GLN CA . 53344 1 725 . 1 . 1 149 149 GLN CB C 13 29.790 0.01 . 1 . . . . . 149 GLN CB . 53344 1 726 . 1 . 1 149 149 GLN N N 15 120.080 0.01 . 1 . . . . . 149 GLN N . 53344 1 727 . 1 . 1 150 150 ARG H H 1 7.961 0.001 . 1 . . . . . 150 ARG H . 53344 1 728 . 1 . 1 150 150 ARG HA H 1 4.111 0.001 . 1 . . . . . 150 ARG HA . 53344 1 729 . 1 . 1 150 150 ARG C C 13 181.200 0.01 . 1 . . . . . 150 ARG C . 53344 1 730 . 1 . 1 150 150 ARG CA C 13 57.620 0.01 . 1 . . . . . 150 ARG CA . 53344 1 731 . 1 . 1 150 150 ARG CB C 13 31.770 0.01 . 1 . . . . . 150 ARG CB . 53344 1 732 . 1 . 1 150 150 ARG N N 15 128.000 0.01 . 1 . . . . . 150 ARG N . 53344 1 stop_ save_