data_25796 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25796 _Entry.Title ; NMR solution structure of a complex of PEP-19 bound to the C-domain of apo calmodulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-04 _Entry.Accession_date 2015-09-04 _Entry.Last_release_date 2016-11-28 _Entry.Original_release_date 2016-11-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Xu Wang . . . . 25796 2 John Putkey . A. . . 25796 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25796 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PEP-19 . 25796 apo . 25796 calmodulin . 25796 'intrinsically disordered' . 25796 'structural transition' . 25796 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25796 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 430 25796 '15N chemical shifts' 112 25796 '1H chemical shifts' 716 25796 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 . . 2016-11-28 . original BMRB . 25796 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N74 'BMRB Entry Tracking System' 25796 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25796 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27876793 _Citation.Full_citation . _Citation.Title ; PEP-19 Modulates Calcium Binding to Calmodulin by Electrostatic Steering ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 13583 _Citation.Page_last 13583 _Citation.Year 2016 _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 Xu Wang . . . . 25796 1 2 John Putkey . A. . . 25796 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25796 _Assembly.ID 1 _Assembly.Name 'complex of PEP-19 bound to the C-domain of apo calmodulin' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 $C-CaM A . yes native no no . . . 25796 1 2 entity_2 2 $PEP-19 B . yes native no no . . . 25796 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-CaM _Entity.Sf_category entity _Entity.Sf_framecode C-CaM _Entity.Entry_ID 25796 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C-CaM _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 ; MKDTDSEEEIREAFRVFDKD GNGYISAAELRHVMTNLGEK LTDEEVDEMIREADIDGDGQ VNYEEFVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Isolated C-domain of calmodulin from residue M76 to K148' _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8416.260 _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 76 MET . 25796 1 2 77 LYS . 25796 1 3 78 ASP . 25796 1 4 79 THR . 25796 1 5 80 ASP . 25796 1 6 81 SER . 25796 1 7 82 GLU . 25796 1 8 83 GLU . 25796 1 9 84 GLU . 25796 1 10 85 ILE . 25796 1 11 86 ARG . 25796 1 12 87 GLU . 25796 1 13 88 ALA . 25796 1 14 89 PHE . 25796 1 15 90 ARG . 25796 1 16 91 VAL . 25796 1 17 92 PHE . 25796 1 18 93 ASP . 25796 1 19 94 LYS . 25796 1 20 95 ASP . 25796 1 21 96 GLY . 25796 1 22 97 ASN . 25796 1 23 98 GLY . 25796 1 24 99 TYR . 25796 1 25 100 ILE . 25796 1 26 101 SER . 25796 1 27 102 ALA . 25796 1 28 103 ALA . 25796 1 29 104 GLU . 25796 1 30 105 LEU . 25796 1 31 106 ARG . 25796 1 32 107 HIS . 25796 1 33 108 VAL . 25796 1 34 109 MET . 25796 1 35 110 THR . 25796 1 36 111 ASN . 25796 1 37 112 LEU . 25796 1 38 113 GLY . 25796 1 39 114 GLU . 25796 1 40 115 LYS . 25796 1 41 116 LEU . 25796 1 42 117 THR . 25796 1 43 118 ASP . 25796 1 44 119 GLU . 25796 1 45 120 GLU . 25796 1 46 121 VAL . 25796 1 47 122 ASP . 25796 1 48 123 GLU . 25796 1 49 124 MET . 25796 1 50 125 ILE . 25796 1 51 126 ARG . 25796 1 52 127 GLU . 25796 1 53 128 ALA . 25796 1 54 129 ASP . 25796 1 55 130 ILE . 25796 1 56 131 ASP . 25796 1 57 132 GLY . 25796 1 58 133 ASP . 25796 1 59 134 GLY . 25796 1 60 135 GLN . 25796 1 61 136 VAL . 25796 1 62 137 ASN . 25796 1 63 138 TYR . 25796 1 64 139 GLU . 25796 1 65 140 GLU . 25796 1 66 141 PHE . 25796 1 67 142 VAL . 25796 1 68 143 GLN . 25796 1 69 144 MET . 25796 1 70 145 MET . 25796 1 71 146 THR . 25796 1 72 147 ALA . 25796 1 73 148 LYS . 25796 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 25796 1 . LYS 2 2 25796 1 . ASP 3 3 25796 1 . THR 4 4 25796 1 . ASP 5 5 25796 1 . SER 6 6 25796 1 . GLU 7 7 25796 1 . GLU 8 8 25796 1 . GLU 9 9 25796 1 . ILE 10 10 25796 1 . ARG 11 11 25796 1 . GLU 12 12 25796 1 . ALA 13 13 25796 1 . PHE 14 14 25796 1 . ARG 15 15 25796 1 . VAL 16 16 25796 1 . PHE 17 17 25796 1 . ASP 18 18 25796 1 . LYS 19 19 25796 1 . ASP 20 20 25796 1 . GLY 21 21 25796 1 . ASN 22 22 25796 1 . GLY 23 23 25796 1 . TYR 24 24 25796 1 . ILE 25 25 25796 1 . SER 26 26 25796 1 . ALA 27 27 25796 1 . ALA 28 28 25796 1 . GLU 29 29 25796 1 . LEU 30 30 25796 1 . ARG 31 31 25796 1 . HIS 32 32 25796 1 . VAL 33 33 25796 1 . MET 34 34 25796 1 . THR 35 35 25796 1 . ASN 36 36 25796 1 . LEU 37 37 25796 1 . GLY 38 38 25796 1 . GLU 39 39 25796 1 . LYS 40 40 25796 1 . LEU 41 41 25796 1 . THR 42 42 25796 1 . ASP 43 43 25796 1 . GLU 44 44 25796 1 . GLU 45 45 25796 1 . VAL 46 46 25796 1 . ASP 47 47 25796 1 . GLU 48 48 25796 1 . MET 49 49 25796 1 . ILE 50 50 25796 1 . ARG 51 51 25796 1 . GLU 52 52 25796 1 . ALA 53 53 25796 1 . ASP 54 54 25796 1 . ILE 55 55 25796 1 . ASP 56 56 25796 1 . GLY 57 57 25796 1 . ASP 58 58 25796 1 . GLY 59 59 25796 1 . GLN 60 60 25796 1 . VAL 61 61 25796 1 . ASN 62 62 25796 1 . TYR 63 63 25796 1 . GLU 64 64 25796 1 . GLU 65 65 25796 1 . PHE 66 66 25796 1 . VAL 67 67 25796 1 . GLN 68 68 25796 1 . MET 69 69 25796 1 . MET 70 70 25796 1 . THR 71 71 25796 1 . ALA 72 72 25796 1 . LYS 73 73 25796 1 stop_ save_ save_PEP-19 _Entity.Sf_category entity _Entity.Sf_framecode PEP-19 _Entity.Entry_ID 25796 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PEP-19 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAERQGAGATNGKDKTSGEN DGQKKVQEEFDIDMDAPETE RAAVAIQSQFRKFQKKKAGS QS ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6775.41 _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 1 MET . 25796 2 2 2 ALA . 25796 2 3 3 GLU . 25796 2 4 4 ARG . 25796 2 5 5 GLN . 25796 2 6 6 GLY . 25796 2 7 7 ALA . 25796 2 8 8 GLY . 25796 2 9 9 ALA . 25796 2 10 10 THR . 25796 2 11 11 ASN . 25796 2 12 12 GLY . 25796 2 13 13 LYS . 25796 2 14 14 ASP . 25796 2 15 15 LYS . 25796 2 16 16 THR . 25796 2 17 17 SER . 25796 2 18 18 GLY . 25796 2 19 19 GLU . 25796 2 20 20 ASN . 25796 2 21 21 ASP . 25796 2 22 22 GLY . 25796 2 23 23 GLN . 25796 2 24 24 LYS . 25796 2 25 25 LYS . 25796 2 26 26 VAL . 25796 2 27 27 GLN . 25796 2 28 28 GLU . 25796 2 29 29 GLU . 25796 2 30 30 PHE . 25796 2 31 31 ASP . 25796 2 32 32 ILE . 25796 2 33 33 ASP . 25796 2 34 34 MET . 25796 2 35 35 ASP . 25796 2 36 36 ALA . 25796 2 37 37 PRO . 25796 2 38 38 GLU . 25796 2 39 39 THR . 25796 2 40 40 GLU . 25796 2 41 41 ARG . 25796 2 42 42 ALA . 25796 2 43 43 ALA . 25796 2 44 44 VAL . 25796 2 45 45 ALA . 25796 2 46 46 ILE . 25796 2 47 47 GLN . 25796 2 48 48 SER . 25796 2 49 49 GLN . 25796 2 50 50 PHE . 25796 2 51 51 ARG . 25796 2 52 52 LYS . 25796 2 53 53 PHE . 25796 2 54 54 GLN . 25796 2 55 55 LYS . 25796 2 56 56 LYS . 25796 2 57 57 LYS . 25796 2 58 58 ALA . 25796 2 59 59 GLY . 25796 2 60 60 SER . 25796 2 61 61 GLN . 25796 2 62 62 SER . 25796 2 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 25796 2 . ALA 2 2 25796 2 . GLU 3 3 25796 2 . ARG 4 4 25796 2 . GLN 5 5 25796 2 . GLY 6 6 25796 2 . ALA 7 7 25796 2 . GLY 8 8 25796 2 . ALA 9 9 25796 2 . THR 10 10 25796 2 . ASN 11 11 25796 2 . GLY 12 12 25796 2 . LYS 13 13 25796 2 . ASP 14 14 25796 2 . LYS 15 15 25796 2 . THR 16 16 25796 2 . SER 17 17 25796 2 . GLY 18 18 25796 2 . GLU 19 19 25796 2 . ASN 20 20 25796 2 . ASP 21 21 25796 2 . GLY 22 22 25796 2 . GLN 23 23 25796 2 . LYS 24 24 25796 2 . LYS 25 25 25796 2 . VAL 26 26 25796 2 . GLN 27 27 25796 2 . GLU 28 28 25796 2 . GLU 29 29 25796 2 . PHE 30 30 25796 2 . ASP 31 31 25796 2 . ILE 32 32 25796 2 . ASP 33 33 25796 2 . MET 34 34 25796 2 . ASP 35 35 25796 2 . ALA 36 36 25796 2 . PRO 37 37 25796 2 . GLU 38 38 25796 2 . THR 39 39 25796 2 . GLU 40 40 25796 2 . ARG 41 41 25796 2 . ALA 42 42 25796 2 . ALA 43 43 25796 2 . VAL 44 44 25796 2 . ALA 45 45 25796 2 . ILE 46 46 25796 2 . GLN 47 47 25796 2 . SER 48 48 25796 2 . GLN 49 49 25796 2 . PHE 50 50 25796 2 . ARG 51 51 25796 2 . LYS 52 52 25796 2 . PHE 53 53 25796 2 . GLN 54 54 25796 2 . LYS 55 55 25796 2 . LYS 56 56 25796 2 . LYS 57 57 25796 2 . ALA 58 58 25796 2 . GLY 59 59 25796 2 . SER 60 60 25796 2 . GLN 61 61 25796 2 . SER 62 62 25796 2 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 25796 _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 $C-CaM . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . 'The sequence of C-CaM conforms to human calmodulin. It was expressed in bacteria using a synthetic cDNA' 25796 1 2 2 $PEP-19 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . 'The sequence of PEP-19 conforms to human PEP-19. It was expressed in bacteria using a synthetic cDNA' 25796 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 25796 _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 $C-CaM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3)pLysS . . . . pET23d . . . 25796 1 2 2 $PEP-19 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3)pLysS . . . . pET23d . . . 25796 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25796 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details pH6.3 _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 C-CaM '[U-100% 13C; U-100% 15N]' . . 1 $C-CaM . . 0.8 . . mM . . . . 25796 1 2 PEP_19 'natural abundance' . . 2 $PEP-19 . . 1.0 . . mM . . . . 25796 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25796 1 4 EDTA [U-2H] . . . . . . 5 . . mM . . . . 25796 1 5 DSS [U-2H] . . . . . . 10 . . uM . . . . 25796 1 6 imidazole [U-2H] . . . . . . 10 . . mM . . . . 25796 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25796 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25796 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25796 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PEP_19 '[U-100% 13C; U-100% 15N]' . . 2 $PEP-19 . . 0.8 . . mM . . . . 25796 2 2 C-CaM 'natural abundance' . . 1 $C-CaM . . 1.0 . . mM . . . . 25796 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25796 2 4 EDTA [U-2H] . . . . . . 5 . . mM . . . . 25796 2 5 DSS [U-2H] . . . . . . 10 . . uM . . . . 25796 2 6 imidazole [U-2H] . . . . . . 10 . . mM . . . . 25796 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25796 2 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25796 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25796 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 C-CaM '[U-100% 13C; U-100% 15N]' . . 1 $C-CaM . . 0.8 . . mM . . . . 25796 3 2 PEP_19 'natural abundance' . . 2 $PEP-19 . . 1.0 . . mM . . . . 25796 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25796 3 4 EDTA [U-2H] . . . . . . 5 . . mM . . . . 25796 3 5 DSS [U-2H] . . . . . . 10 . . uM . . . . 25796 3 6 imidazole [U-2H] . . . . . . 10 . . mM . . . . 25796 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25796 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25796 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 PEP-19 '[U-100% 13C; U-100% 15N]' . . 2 $PEP-19 . . 0.8 . . mM . . . . 25796 4 2 C-CaM 'natural abundance' . . 1 $C-CaM . . 1.0 . . mM . . . . 25796 4 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25796 4 4 EDTA [U-2H] . . . . . . 5 . . mM . . . . 25796 4 5 DSS [U-2H] . . . . . . 10 . . uM . . . . 25796 4 6 imidazole [U-2H] . . . . . . 10 . . mM . . . . 25796 4 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25796 4 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 25796 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 25796 1 pH 6.3 0.1 pH 25796 1 pressure 1 . atm 25796 1 temperature 298 . K 25796 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25796 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25796 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25796 1 stop_ save_ save_Felix_2007 _Software.Sf_category software _Software.Sf_framecode Felix_2007 _Software.Entry_ID 25796 _Software.ID 2 _Software.Name Felix_2007 _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 25796 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25796 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25796 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25796 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25796 3 'data analysis' 25796 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25796 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm triple-resonance cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25796 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 '5 mm triple-resonance cryoprobe' . . 25796 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 25796 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 13 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 14 '3D CCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 16 '3D F1--filtered, F3-edited NOESY-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 18 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 19 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 20 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 21 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 22 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 23 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 24 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 25 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 26 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 27 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 28 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 29 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 30 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 31 '3D CCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 32 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 33 'D F1--filtered, F3-edited NOESY-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25796 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25796 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25796 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25796 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25796 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25796 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25796 1 2 '3D HNCA' . . . 25796 1 3 '3D HN(CO)CA' . . . 25796 1 4 '3D HNCACB' . . . 25796 1 5 '3D CBCA(CO)NH' . . . 25796 1 6 '3D HNCO' . . . 25796 1 7 '3D C(CO)NH' . . . 25796 1 8 '3D H(CCO)NH' . . . 25796 1 9 '3D HBHA(CO)NH' . . . 25796 1 12 '3D HCCH-TOCSY' . . . 25796 1 13 '3D HCCH-TOCSY' . . . 25796 1 14 '3D CCH-TOCSY' . . . 25796 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASP H H 1 8.6223 0.02 . 1 . . . A 78 ASP H . 25796 1 2 . 1 1 3 3 ASP HA H 1 4.6702 0.02 . 1 . . . A 78 ASP HA . 25796 1 3 . 1 1 3 3 ASP HB2 H 1 2.6498 0.02 . 2 . . . A 78 ASP HB2 . 25796 1 4 . 1 1 3 3 ASP HB3 H 1 2.7863 0.02 . 2 . . . A 78 ASP HB3 . 25796 1 5 . 1 1 3 3 ASP C C 13 176.44 0.3 . 1 . . . A 78 ASP C . 25796 1 6 . 1 1 3 3 ASP CA C 13 54.547 0.3 . 1 . . . A 78 ASP CA . 25796 1 7 . 1 1 3 3 ASP CB C 13 40.953 0.3 . 1 . . . A 78 ASP CB . 25796 1 8 . 1 1 3 3 ASP N N 15 122.06 0.1 . 1 . . . A 78 ASP N . 25796 1 9 . 1 1 4 4 THR H H 1 8.0763 0.02 . 1 . . . A 79 THR H . 25796 1 10 . 1 1 4 4 THR HA H 1 4.3153 0.02 . 1 . . . A 79 THR HA . 25796 1 11 . 1 1 4 4 THR HB H 1 4.288 0.02 . 1 . . . A 79 THR HB . 25796 1 12 . 1 1 4 4 THR HG21 H 1 1.1755 0.02 . 1 . . . A 79 THR HG21 . 25796 1 13 . 1 1 4 4 THR HG22 H 1 1.1755 0.02 . 1 . . . A 79 THR HG22 . 25796 1 14 . 1 1 4 4 THR HG23 H 1 1.1755 0.02 . 1 . . . A 79 THR HG23 . 25796 1 15 . 1 1 4 4 THR C C 13 174.63 0.3 . 1 . . . A 79 THR C . 25796 1 16 . 1 1 4 4 THR CA C 13 62.282 0.3 . 1 . . . A 79 THR CA . 25796 1 17 . 1 1 4 4 THR CB C 13 69.783 0.3 . 1 . . . A 79 THR CB . 25796 1 18 . 1 1 4 4 THR CG2 C 13 21.852 0.3 . 1 . . . A 79 THR CG2 . 25796 1 19 . 1 1 4 4 THR N N 15 113.87 0.1 . 1 . . . A 79 THR N . 25796 1 20 . 1 1 5 5 ASP H H 1 8.4176 0.02 . 1 . . . A 80 ASP H . 25796 1 21 . 1 1 5 5 ASP HA H 1 4.6975 0.02 . 1 . . . A 80 ASP HA . 25796 1 22 . 1 1 5 5 ASP HB2 H 1 2.759 0.02 . 2 . . . A 80 ASP HB2 . 25796 1 23 . 1 1 5 5 ASP HB3 H 1 2.759 0.02 . 2 . . . A 80 ASP HB3 . 25796 1 24 . 1 1 5 5 ASP C C 13 176.88 0.3 . 1 . . . A 80 ASP C . 25796 1 25 . 1 1 5 5 ASP CA C 13 55.016 0.3 . 1 . . . A 80 ASP CA . 25796 1 26 . 1 1 5 5 ASP CB C 13 41.305 0.3 . 1 . . . A 80 ASP CB . 25796 1 27 . 1 1 5 5 ASP N N 15 123.12 0.1 . 1 . . . A 80 ASP N . 25796 1 28 . 1 1 6 6 SER H H 1 8.5063 0.02 . 1 . . . A 81 SER H . 25796 1 29 . 1 1 6 6 SER HA H 1 4.4245 0.02 . 1 . . . A 81 SER HA . 25796 1 30 . 1 1 6 6 SER HB2 H 1 3.9604 0.02 . 2 . . . A 81 SER HB2 . 25796 1 31 . 1 1 6 6 SER HB3 H 1 3.9604 0.02 . 2 . . . A 81 SER HB3 . 25796 1 32 . 1 1 6 6 SER C C 13 175.45 0.3 . 1 . . . A 81 SER C . 25796 1 33 . 1 1 6 6 SER CA C 13 59.821 0.3 . 1 . . . A 81 SER CA . 25796 1 34 . 1 1 6 6 SER CB C 13 63.571 0.3 . 1 . . . A 81 SER CB . 25796 1 35 . 1 1 6 6 SER N N 15 122.62 0.1 . 1 . . . A 81 SER N . 25796 1 36 . 1 1 7 7 GLU H H 1 8.5063 0.02 . 1 . . . A 82 GLU H . 25796 1 37 . 1 1 7 7 GLU HA H 1 3.9058 0.02 . 1 . . . A 82 GLU HA . 25796 1 38 . 1 1 7 7 GLU HB2 H 1 2.0765 0.02 . 2 . . . A 82 GLU HB2 . 25796 1 39 . 1 1 7 7 GLU HB3 H 1 2.0765 0.02 . 2 . . . A 82 GLU HB3 . 25796 1 40 . 1 1 7 7 GLU HG2 H 1 2.185 0.02 . 2 . . . A 82 GLU HG2 . 25796 1 41 . 1 1 7 7 GLU HG3 H 1 2.185 0.02 . 2 . . . A 82 GLU HG3 . 25796 1 42 . 1 1 7 7 GLU C C 13 177.64 0.3 . 1 . . . A 82 GLU C . 25796 1 43 . 1 1 7 7 GLU CA C 13 59.703 0.3 . 1 . . . A 82 GLU CA . 25796 1 44 . 1 1 7 7 GLU CB C 13 29.937 0.3 . 1 . . . A 82 GLU CB . 25796 1 45 . 1 1 7 7 GLU CG C 13 36.383 0.3 . 1 . . . A 82 GLU CG . 25796 1 46 . 1 1 7 7 GLU N N 15 122.62 0.1 . 1 . . . A 82 GLU N . 25796 1 47 . 1 1 8 8 GLU H H 1 8.1718 0.02 . 1 . . . A 83 GLU H . 25796 1 48 . 1 1 8 8 GLU HA H 1 4.0969 0.02 . 1 . . . A 83 GLU HA . 25796 1 49 . 1 1 8 8 GLU HB2 H 1 2.0765 0.02 . 2 . . . A 83 GLU HB2 . 25796 1 50 . 1 1 8 8 GLU HB3 H 1 2.0765 0.02 . 2 . . . A 83 GLU HB3 . 25796 1 51 . 1 1 8 8 GLU HG2 H 1 2.3768 0.02 . 2 . . . A 83 GLU HG2 . 25796 1 52 . 1 1 8 8 GLU HG3 H 1 2.387 0.02 . 2 . . . A 83 GLU HG3 . 25796 1 53 . 1 1 8 8 GLU C C 13 178.52 0.3 . 1 . . . A 83 GLU C . 25796 1 54 . 1 1 8 8 GLU CA C 13 59.117 0.3 . 1 . . . A 83 GLU CA . 25796 1 55 . 1 1 8 8 GLU CB C 13 29.468 0.3 . 1 . . . A 83 GLU CB . 25796 1 56 . 1 1 8 8 GLU CG C 13 36.031 0.3 . 1 . . . A 83 GLU CG . 25796 1 57 . 1 1 8 8 GLU N N 15 118.31 0.1 . 1 . . . A 83 GLU N . 25796 1 58 . 1 1 9 9 GLU H H 1 8.0626 0.02 . 1 . . . A 84 GLU H . 25796 1 59 . 1 1 9 9 GLU HA H 1 4.0423 0.02 . 1 . . . A 84 GLU HA . 25796 1 60 . 1 1 9 9 GLU HB2 H 1 2.1038 0.02 . 2 . . . A 84 GLU HB2 . 25796 1 61 . 1 1 9 9 GLU HB3 H 1 2.1038 0.02 . 2 . . . A 84 GLU HB3 . 25796 1 62 . 1 1 9 9 GLU HG2 H 1 2.3495 0.02 . 2 . . . A 84 GLU HG2 . 25796 1 63 . 1 1 9 9 GLU HG3 H 1 2.3495 0.02 . 2 . . . A 84 GLU HG3 . 25796 1 64 . 1 1 9 9 GLU C C 13 179.56 0.3 . 1 . . . A 84 GLU C . 25796 1 65 . 1 1 9 9 GLU CA C 13 59.469 0.3 . 1 . . . A 84 GLU CA . 25796 1 66 . 1 1 9 9 GLU CB C 13 29.82 0.3 . 1 . . . A 84 GLU CB . 25796 1 67 . 1 1 9 9 GLU CG C 13 36.38 0.3 . 1 . . . A 84 GLU CG . 25796 1 68 . 1 1 9 9 GLU N N 15 118.93 0.1 . 1 . . . A 84 GLU N . 25796 1 69 . 1 1 10 10 ILE H H 1 8.0421 0.02 . 1 . . . A 85 ILE H . 25796 1 70 . 1 1 10 10 ILE HA H 1 3.9331 0.02 . 1 . . . A 85 ILE HA . 25796 1 71 . 1 1 10 10 ILE HB H 1 2.1311 0.02 . 1 . . . A 85 ILE HB . 25796 1 72 . 1 1 10 10 ILE HG12 H 1 1.4212 0.02 . 2 . . . A 85 ILE HG12 . 25796 1 73 . 1 1 10 10 ILE HG13 H 1 1.6396 0.02 . 2 . . . A 85 ILE HG13 . 25796 1 74 . 1 1 10 10 ILE HG21 H 1 1.0936 0.02 . 2 . . . A 85 ILE HG21 . 25796 1 75 . 1 1 10 10 ILE HG22 H 1 1.0936 0.02 . 2 . . . A 85 ILE HG22 . 25796 1 76 . 1 1 10 10 ILE HG23 H 1 1.0936 0.02 . 2 . . . A 85 ILE HG23 . 25796 1 77 . 1 1 10 10 ILE HD11 H 1 0.7659 0.02 . 2 . . . A 85 ILE HD11 . 25796 1 78 . 1 1 10 10 ILE HD12 H 1 0.7659 0.02 . 2 . . . A 85 ILE HD12 . 25796 1 79 . 1 1 10 10 ILE HD13 H 1 0.7659 0.02 . 2 . . . A 85 ILE HD13 . 25796 1 80 . 1 1 10 10 ILE C C 13 177.53 0.3 . 1 . . . A 85 ILE C . 25796 1 81 . 1 1 10 10 ILE CA C 13 62.399 0.3 . 1 . . . A 85 ILE CA . 25796 1 82 . 1 1 10 10 ILE CB C 13 36.266 0.3 . 1 . . . A 85 ILE CB . 25796 1 83 . 1 1 10 10 ILE CG1 C 13 28.391 0.3 . 2 . . . A 85 ILE CG1 . 25796 1 84 . 1 1 10 10 ILE CG2 C 13 19.516 0.3 . 2 . . . A 85 ILE CG2 . 25796 1 85 . 1 1 10 10 ILE CD1 C 13 12.141 0.3 . 2 . . . A 85 ILE CD1 . 25796 1 86 . 1 1 10 10 ILE N N 15 118.36 0.1 . 1 . . . A 85 ILE N . 25796 1 87 . 1 1 11 11 ARG H H 1 8.4585 0.02 . 1 . . . A 86 ARG H . 25796 1 88 . 1 1 11 11 ARG HA H 1 3.9877 0.02 . 1 . . . A 86 ARG HA . 25796 1 89 . 1 1 11 11 ARG HB2 H 1 2.0219 0.02 . 2 . . . A 86 ARG HB2 . 25796 1 90 . 1 1 11 11 ARG HB3 H 1 2.0219 0.02 . 2 . . . A 86 ARG HB3 . 25796 1 91 . 1 1 11 11 ARG HG2 H 1 1.667 0.02 . 2 . . . A 86 ARG HG2 . 25796 1 92 . 1 1 11 11 ARG HG3 H 1 1.8034 0.02 . 2 . . . A 86 ARG HG3 . 25796 1 93 . 1 1 11 11 ARG HD2 H 1 3.3324 0.02 . 2 . . . A 86 ARG HD2 . 25796 1 94 . 1 1 11 11 ARG HD3 H 1 3.324 0.02 . 2 . . . A 86 ARG HD3 . 25796 1 95 . 1 1 11 11 ARG C C 13 178.35 0.3 . 1 . . . A 86 ARG C . 25796 1 96 . 1 1 11 11 ARG CA C 13 61.505 0.3 . 1 . . . A 86 ARG CA . 25796 1 97 . 1 1 11 11 ARG CB C 13 30.289 0.3 . 1 . . . A 86 ARG CB . 25796 1 98 . 1 1 11 11 ARG CG C 13 29.937 0.3 . 1 . . . A 86 ARG CG . 25796 1 99 . 1 1 11 11 ARG CD C 13 43.18 0.3 . 1 . . . A 86 ARG CD . 25796 1 100 . 1 1 11 11 ARG N N 15 122.68 0.1 . 1 . . . A 86 ARG N . 25796 1 101 . 1 1 12 12 GLU H H 1 8.3288 0.02 . 1 . . . A 87 GLU H . 25796 1 102 . 1 1 12 12 GLU HA H 1 3.9331 0.02 . 1 . . . A 87 GLU HA . 25796 1 103 . 1 1 12 12 GLU HB2 H 1 2.0765 0.02 . 2 . . . A 87 GLU HB2 . 25796 1 104 . 1 1 12 12 GLU HB3 H 1 2.0765 0.02 . 2 . . . A 87 GLU HB3 . 25796 1 105 . 1 1 12 12 GLU HG2 H 1 2.3768 0.02 . 2 . . . A 87 GLU HG2 . 25796 1 106 . 1 1 12 12 GLU HG3 H 1 2.3768 0.02 . 2 . . . A 87 GLU HG3 . 25796 1 107 . 1 1 12 12 GLU C C 13 178.51 0.3 . 1 . . . A 87 GLU C . 25796 1 108 . 1 1 12 12 GLU CA C 13 59 0.3 . 1 . . . A 87 GLU CA . 25796 1 109 . 1 1 12 12 GLU CB C 13 29.234 0.3 . 1 . . . A 87 GLU CB . 25796 1 110 . 1 1 12 12 GLU CG C 13 36.383 0.3 . 1 . . . A 87 GLU CG . 25796 1 111 . 1 1 12 12 GLU N N 15 116.37 0.1 . 1 . . . A 87 GLU N . 25796 1 112 . 1 1 13 13 ALA H H 1 7.5166 0.02 . 1 . . . A 88 ALA H . 25796 1 113 . 1 1 13 13 ALA HA H 1 4.0696 0.02 . 1 . . . A 88 ALA HA . 25796 1 114 . 1 1 13 13 ALA HB1 H 1 1.5031 0.02 . 1 . . . A 88 ALA HB1 . 25796 1 115 . 1 1 13 13 ALA HB2 H 1 1.5031 0.02 . 1 . . . A 88 ALA HB2 . 25796 1 116 . 1 1 13 13 ALA HB3 H 1 1.5031 0.02 . 1 . . . A 88 ALA HB3 . 25796 1 117 . 1 1 13 13 ALA C C 13 178.73 0.3 . 1 . . . A 88 ALA C . 25796 1 118 . 1 1 13 13 ALA CA C 13 55.016 0.3 . 1 . . . A 88 ALA CA . 25796 1 119 . 1 1 13 13 ALA CB C 13 18.571 0.3 . 1 . . . A 88 ALA CB . 25796 1 120 . 1 1 13 13 ALA N N 15 122.18 0.1 . 1 . . . A 88 ALA N . 25796 1 121 . 1 1 14 14 PHE H H 1 7.7213 0.02 . 1 . . . A 89 PHE H . 25796 1 122 . 1 1 14 14 PHE HA H 1 3.8512 0.02 . 1 . . . A 89 PHE HA . 25796 1 123 . 1 1 14 14 PHE HB2 H 1 1.7215 0.02 . 2 . . . A 89 PHE HB2 . 25796 1 124 . 1 1 14 14 PHE HB3 H 1 2.486 0.02 . 2 . . . A 89 PHE HB3 . 25796 1 125 . 1 1 14 14 PHE HD1 H 1 7.088 0.02 . 2 . . . A 89 PHE HD1 . 25796 1 126 . 1 1 14 14 PHE HD2 H 1 7.088 0.02 . 2 . . . A 89 PHE HD2 . 25796 1 127 . 1 1 14 14 PHE HZ H 1 6.938 0.02 . 1 . . . A 89 PHE HZ . 25796 1 128 . 1 1 14 14 PHE C C 13 178.68 0.3 . 1 . . . A 89 PHE C . 25796 1 129 . 1 1 14 14 PHE CA C 13 62.98 0.3 . 1 . . . A 89 PHE CA . 25796 1 130 . 1 1 14 14 PHE CB C 13 39.664 0.3 . 1 . . . A 89 PHE CB . 25796 1 131 . 1 1 14 14 PHE CD1 C 13 132.39 0.3 . 2 . . . A 89 PHE CD1 . 25796 1 132 . 1 1 14 14 PHE CD2 C 13 132.39 0.3 . 2 . . . A 89 PHE CD2 . 25796 1 133 . 1 1 14 14 PHE N N 15 113.99 0.1 . 1 . . . A 89 PHE N . 25796 1 134 . 1 1 15 15 ARG H H 1 7.2572 0.02 . 1 . . . A 90 ARG H . 25796 1 135 . 1 1 15 15 ARG HA H 1 3.8512 0.02 . 1 . . . A 90 ARG HA . 25796 1 136 . 1 1 15 15 ARG HB2 H 1 1.9399 0.02 . 2 . . . A 90 ARG HB2 . 25796 1 137 . 1 1 15 15 ARG HB3 H 1 1.9399 0.02 . 2 . . . A 90 ARG HB3 . 25796 1 138 . 1 1 15 15 ARG HG2 H 1 1.8999 0.02 . 2 . . . A 90 ARG HG2 . 25796 1 139 . 1 1 15 15 ARG HG3 H 1 1.9399 0.02 . 2 . . . A 90 ARG HG3 . 25796 1 140 . 1 1 15 15 ARG HD2 H 1 3.2505 0.02 . 2 . . . A 90 ARG HD2 . 25796 1 141 . 1 1 15 15 ARG HD3 H 1 3.2505 0.02 . 2 . . . A 90 ARG HD3 . 25796 1 142 . 1 1 15 15 ARG C C 13 178.73 0.3 . 1 . . . A 90 ARG C . 25796 1 143 . 1 1 15 15 ARG CA C 13 59.352 0.3 . 1 . . . A 90 ARG CA . 25796 1 144 . 1 1 15 15 ARG CB C 13 30.289 0.3 . 1 . . . A 90 ARG CB . 25796 1 145 . 1 1 15 15 ARG CG C 13 28.297 0.3 . 1 . . . A 90 ARG CG . 25796 1 146 . 1 1 15 15 ARG CD C 13 43.7659 0.3 . 1 . . . A 90 ARG CD . 25796 1 147 . 1 1 15 15 ARG N N 15 119.55 0.1 . 1 . . . A 90 ARG N . 25796 1 148 . 1 1 16 16 VAL H H 1 7.1138 0.02 . 1 . . . A 91 VAL H . 25796 1 149 . 1 1 16 16 VAL HA H 1 3.4143 0.02 . 1 . . . A 91 VAL HA . 25796 1 150 . 1 1 16 16 VAL HB H 1 1.6669 0.02 . 1 . . . A 91 VAL HB . 25796 1 151 . 1 1 16 16 VAL HG11 H 1 0.3018 0.02 . 2 . . . A 91 VAL HG11 . 25796 1 152 . 1 1 16 16 VAL HG12 H 1 0.3018 0.02 . 2 . . . A 91 VAL HG12 . 25796 1 153 . 1 1 16 16 VAL HG13 H 1 0.3018 0.02 . 2 . . . A 91 VAL HG13 . 25796 1 154 . 1 1 16 16 VAL HG21 H 1 0.8633 0.02 . 2 . . . A 91 VAL HG21 . 25796 1 155 . 1 1 16 16 VAL HG22 H 1 0.8633 0.02 . 2 . . . A 91 VAL HG22 . 25796 1 156 . 1 1 16 16 VAL HG23 H 1 0.8633 0.02 . 2 . . . A 91 VAL HG23 . 25796 1 157 . 1 1 16 16 VAL C C 13 176.65 0.3 . 1 . . . A 91 VAL C . 25796 1 158 . 1 1 16 16 VAL CA C 13 65.797 0.3 . 1 . . . A 91 VAL CA . 25796 1 159 . 1 1 16 16 VAL CB C 13 31.11 0.3 . 1 . . . A 91 VAL CB . 25796 1 160 . 1 1 16 16 VAL CG1 C 13 20.797 0.3 . 2 . . . A 91 VAL CG1 . 25796 1 161 . 1 1 16 16 VAL CG2 C 13 23.258 0.3 . 2 . . . A 91 VAL CG2 . 25796 1 162 . 1 1 16 16 VAL N N 15 119.55 0.1 . 1 . . . A 91 VAL N . 25796 1 163 . 1 1 17 17 PHE H H 1 7.1616 0.02 . 1 . . . A 92 PHE H . 25796 1 164 . 1 1 17 17 PHE HA H 1 4.5337 0.02 . 1 . . . A 92 PHE HA . 25796 1 165 . 1 1 17 17 PHE HB2 H 1 2.9502 0.02 . 2 . . . A 92 PHE HB2 . 25796 1 166 . 1 1 17 17 PHE HB3 H 1 3.4686 0.02 . 2 . . . A 92 PHE HB3 . 25796 1 167 . 1 1 17 17 PHE HD1 H 1 7.1697 0.02 . 2 . . . A 92 PHE HD1 . 25796 1 168 . 1 1 17 17 PHE HD2 H 1 7.1697 0.02 . 2 . . . A 92 PHE HD2 . 25796 1 169 . 1 1 17 17 PHE HE1 H 1 6.924 0.02 . 2 . . . A 92 PHE HE1 . 25796 1 170 . 1 1 17 17 PHE HE2 H 1 6.924 0.02 . 2 . . . A 92 PHE HE2 . 25796 1 171 . 1 1 17 17 PHE HZ H 1 6.849 0.02 . 1 . . . A 92 PHE HZ . 25796 1 172 . 1 1 17 17 PHE C C 13 174.96 0.3 . 1 . . . A 92 PHE C . 25796 1 173 . 1 1 17 17 PHE CA C 13 57.36 0.3 . 1 . . . A 92 PHE CA . 25796 1 174 . 1 1 17 17 PHE CB C 13 39.196 0.3 . 1 . . . A 92 PHE CB . 25796 1 175 . 1 1 17 17 PHE CD1 C 13 131.37 0.3 . 1 . . . A 92 PHE CD1 . 25796 1 176 . 1 1 17 17 PHE CD2 C 13 131.37 0.3 . 1 . . . A 92 PHE CD2 . 25796 1 177 . 1 1 17 17 PHE CE1 C 13 131.39 0.3 . 1 . . . A 92 PHE CE1 . 25796 1 178 . 1 1 17 17 PHE CE2 C 13 131.39 0.3 . 1 . . . A 92 PHE CE2 . 25796 1 179 . 1 1 17 17 PHE N N 15 115.05 0.1 . 1 . . . A 92 PHE N . 25796 1 180 . 1 1 18 18 ASP H H 1 7.694 0.02 . 1 . . . A 93 ASP H . 25796 1 181 . 1 1 18 18 ASP HA H 1 5.0525 0.02 . 1 . . . A 93 ASP HA . 25796 1 182 . 1 1 18 18 ASP HB2 H 1 2.5679 0.02 . 2 . . . A 93 ASP HB2 . 25796 1 183 . 1 1 18 18 ASP HB3 H 1 3.1413 0.02 . 2 . . . A 93 ASP HB3 . 25796 1 184 . 1 1 18 18 ASP C C 13 176.21 0.3 . 1 . . . A 93 ASP C . 25796 1 185 . 1 1 18 18 ASP CA C 13 52.321 0.3 . 1 . . . A 93 ASP CA . 25796 1 186 . 1 1 18 18 ASP CB C 13 40.719 0.3 . 1 . . . A 93 ASP CB . 25796 1 187 . 1 1 18 18 ASP N N 15 120.74 0.1 . 1 . . . A 93 ASP N . 25796 1 188 . 1 1 19 19 LYS H H 1 8.4312 0.02 . 1 . . . A 94 LYS H . 25796 1 189 . 1 1 19 19 LYS HA H 1 4.1242 0.02 . 1 . . . A 94 LYS HA . 25796 1 190 . 1 1 19 19 LYS HB2 H 1 1.9126 0.02 . 2 . . . A 94 LYS HB2 . 25796 1 191 . 1 1 19 19 LYS HB3 H 1 1.9126 0.02 . 2 . . . A 94 LYS HB3 . 25796 1 192 . 1 1 19 19 LYS HG2 H 1 1.53 0.02 . 2 . . . A 94 LYS HG2 . 25796 1 193 . 1 1 19 19 LYS HG3 H 1 1.59 0.02 . 2 . . . A 94 LYS HG3 . 25796 1 194 . 1 1 19 19 LYS HD2 H 1 1.776 0.02 . 2 . . . A 94 LYS HD2 . 25796 1 195 . 1 1 19 19 LYS HD3 H 1 1.776 0.02 . 2 . . . A 94 LYS HD3 . 25796 1 196 . 1 1 19 19 LYS HE2 H 1 3.114 0.02 . 2 . . . A 94 LYS HE2 . 25796 1 197 . 1 1 19 19 LYS HE3 H 1 3.114 0.02 . 2 . . . A 94 LYS HE3 . 25796 1 198 . 1 1 19 19 LYS C C 13 178.29 0.3 . 1 . . . A 94 LYS C . 25796 1 199 . 1 1 19 19 LYS CA C 13 58.766 0.3 . 1 . . . A 94 LYS CA . 25796 1 200 . 1 1 19 19 LYS CB C 13 32.399 0.3 . 1 . . . A 94 LYS CB . 25796 1 201 . 1 1 19 19 LYS CG C 13 24.766 0.3 . 1 . . . A 94 LYS CG . 25796 1 202 . 1 1 19 19 LYS CD C 13 29.141 0.3 . 1 . . . A 94 LYS CD . 25796 1 203 . 1 1 19 19 LYS CE C 13 42.266 0.3 . 1 . . . A 94 LYS CE . 25796 1 204 . 1 1 19 19 LYS N N 15 124.55 0.1 . 1 . . . A 94 LYS N . 25796 1 205 . 1 1 20 20 ASP H H 1 8.6087 0.02 . 1 . . . A 95 ASP H . 25796 1 206 . 1 1 20 20 ASP HA H 1 4.7248 0.02 . 1 . . . A 95 ASP HA . 25796 1 207 . 1 1 20 20 ASP HB2 H 1 2.759 0.02 . 2 . . . A 95 ASP HB2 . 25796 1 208 . 1 1 20 20 ASP HB3 H 1 2.759 0.02 . 2 . . . A 95 ASP HB3 . 25796 1 209 . 1 1 20 20 ASP C C 13 177.14 0.3 . 1 . . . A 95 ASP C . 25796 1 210 . 1 1 20 20 ASP CA C 13 54.782 0.3 . 1 . . . A 95 ASP CA . 25796 1 211 . 1 1 20 20 ASP CB C 13 41.188 0.3 . 1 . . . A 95 ASP CB . 25796 1 212 . 1 1 20 20 ASP N N 15 116.49 0.1 . 1 . . . A 95 ASP N . 25796 1 213 . 1 1 21 21 GLY H H 1 8.1036 0.02 . 1 . . . A 96 GLY H . 25796 1 214 . 1 1 21 21 GLY HA2 H 1 3.769 0.02 . 2 . . . A 96 GLY HA2 . 25796 1 215 . 1 1 21 21 GLY HA3 H 1 3.9604 0.02 . 2 . . . A 96 GLY HA3 . 25796 1 216 . 1 1 21 21 GLY C C 13 175.45 0.3 . 1 . . . A 96 GLY C . 25796 1 217 . 1 1 21 21 GLY CA C 13 47.047 0.3 . 1 . . . A 96 GLY CA . 25796 1 218 . 1 1 21 21 GLY N N 15 110.05 0.1 . 1 . . . A 96 GLY N . 25796 1 219 . 1 1 22 22 ASN H H 1 9.0387 0.02 . 1 . . . A 97 ASN H . 25796 1 220 . 1 1 22 22 ASN HA H 1 4.7521 0.02 . 1 . . . A 97 ASN HA . 25796 1 221 . 1 1 22 22 ASN HB2 H 1 2.7044 0.02 . 2 . . . A 97 ASN HB2 . 25796 1 222 . 1 1 22 22 ASN HB3 H 1 2.9229 0.02 . 2 . . . A 97 ASN HB3 . 25796 1 223 . 1 1 22 22 ASN HD21 H 1 7.127 0.02 . 2 . . . A 97 ASN HD21 . 25796 1 224 . 1 1 22 22 ASN HD22 H 1 7.6667 0.02 . 2 . . . A 97 ASN HD22 . 25796 1 225 . 1 1 22 22 ASN C C 13 176.49 0.3 . 1 . . . A 97 ASN C . 25796 1 226 . 1 1 22 22 ASN CA C 13 53.61 0.3 . 1 . . . A 97 ASN CA . 25796 1 227 . 1 1 22 22 ASN CB C 13 39.313 0.3 . 1 . . . A 97 ASN CB . 25796 1 228 . 1 1 22 22 ASN N N 15 119.11 0.1 . 1 . . . A 97 ASN N . 25796 1 229 . 1 1 22 22 ASN ND2 N 15 112.99 0.1 . 1 . . . A 97 ASN ND2 . 25796 1 230 . 1 1 23 23 GLY H H 1 9.9943 0.02 . 1 . . . A 98 GLY H . 25796 1 231 . 1 1 23 23 GLY HA2 H 1 3.0867 0.02 . 2 . . . A 98 GLY HA2 . 25796 1 232 . 1 1 23 23 GLY HA3 H 1 3.9604 0.02 . 2 . . . A 98 GLY HA3 . 25796 1 233 . 1 1 23 23 GLY C C 13 172.49 0.3 . 1 . . . A 98 GLY C . 25796 1 234 . 1 1 23 23 GLY CA C 13 45.289 0.3 . 1 . . . A 98 GLY CA . 25796 1 235 . 1 1 23 23 GLY N N 15 110.05 0.1 . 1 . . . A 98 GLY N . 25796 1 236 . 1 1 24 24 TYR H H 1 7.7555 0.02 . 1 . . . A 99 TYR H . 25796 1 237 . 1 1 24 24 TYR HA H 1 5.5439 0.02 . 1 . . . A 99 TYR HA . 25796 1 238 . 1 1 24 24 TYR HB2 H 1 2.774 0.02 . 2 . . . A 99 TYR HB2 . 25796 1 239 . 1 1 24 24 TYR HB3 H 1 2.847 0.02 . 2 . . . A 99 TYR HB3 . 25796 1 240 . 1 1 24 24 TYR HD1 H 1 6.7533 0.02 . 2 . . . A 99 TYR HD1 . 25796 1 241 . 1 1 24 24 TYR HD2 H 1 6.7533 0.02 . 2 . . . A 99 TYR HD2 . 25796 1 242 . 1 1 24 24 TYR HE1 H 1 6.7669 0.02 . 2 . . . A 99 TYR HE1 . 25796 1 243 . 1 1 24 24 TYR HE2 H 1 6.7669 0.02 . 2 . . . A 99 TYR HE2 . 25796 1 244 . 1 1 24 24 TYR C C 13 175.016 0.3 . 1 . . . A 99 TYR C . 25796 1 245 . 1 1 24 24 TYR CA C 13 56.071 0.3 . 1 . . . A 99 TYR CA . 25796 1 246 . 1 1 24 24 TYR CB C 13 41.774 0.3 . 1 . . . A 99 TYR CB . 25796 1 247 . 1 1 24 24 TYR CD1 C 13 133.49 0.3 . 2 . . . A 99 TYR CD1 . 25796 1 248 . 1 1 24 24 TYR CD2 C 13 133.49 0.3 . 2 . . . A 99 TYR CD2 . 25796 1 249 . 1 1 24 24 TYR N N 15 117.36 0.1 . 1 . . . A 99 TYR N . 25796 1 250 . 1 1 25 25 ILE H H 1 8.7315 0.02 . 1 . . . A 100 ILE H . 25796 1 251 . 1 1 25 25 ILE HA H 1 4.8614 0.02 . 1 . . . A 100 ILE HA . 25796 1 252 . 1 1 25 25 ILE HB H 1 1.9399 0.02 . 1 . . . A 100 ILE HB . 25796 1 253 . 1 1 25 25 ILE HG12 H 1 1.298 0.02 . 2 . . . A 100 ILE HG12 . 25796 1 254 . 1 1 25 25 ILE HG13 H 1 1.6396 0.02 . 2 . . . A 100 ILE HG13 . 25796 1 255 . 1 1 25 25 ILE HG21 H 1 1.08 0.02 . 2 . . . A 100 ILE HG21 . 25796 1 256 . 1 1 25 25 ILE HG22 H 1 1.08 0.02 . 2 . . . A 100 ILE HG22 . 25796 1 257 . 1 1 25 25 ILE HG23 H 1 1.08 0.02 . 2 . . . A 100 ILE HG23 . 25796 1 258 . 1 1 25 25 ILE HD11 H 1 0.899 0.02 . 2 . . . A 100 ILE HD11 . 25796 1 259 . 1 1 25 25 ILE HD12 H 1 0.899 0.02 . 2 . . . A 100 ILE HD12 . 25796 1 260 . 1 1 25 25 ILE HD13 H 1 0.899 0.02 . 2 . . . A 100 ILE HD13 . 25796 1 261 . 1 1 25 25 ILE C C 13 174.41 0.3 . 1 . . . A 100 ILE C . 25796 1 262 . 1 1 25 25 ILE CA C 13 59.117 0.3 . 1 . . . A 100 ILE CA . 25796 1 263 . 1 1 25 25 ILE CB C 13 42.828 0.3 . 1 . . . A 100 ILE CB . 25796 1 264 . 1 1 25 25 ILE CG1 C 13 26.766 0.3 . 2 . . . A 100 ILE CG1 . 25796 1 265 . 1 1 25 25 ILE CG2 C 13 18.141 0.3 . 2 . . . A 100 ILE CG2 . 25796 1 266 . 1 1 25 25 ILE CD1 C 13 15.391 0.3 . 2 . . . A 100 ILE CD1 . 25796 1 267 . 1 1 25 25 ILE N N 15 114.43 0.1 . 1 . . . A 100 ILE N . 25796 1 268 . 1 1 26 26 SER H H 1 9.0933 0.02 . 1 . . . A 101 SER H . 25796 1 269 . 1 1 26 26 SER HA H 1 4.7248 0.02 . 1 . . . A 101 SER HA . 25796 1 270 . 1 1 26 26 SER HB2 H 1 4.0969 0.02 . 2 . . . A 101 SER HB2 . 25796 1 271 . 1 1 26 26 SER HB3 H 1 4.3972 0.02 . 2 . . . A 101 SER HB3 . 25796 1 272 . 1 1 26 26 SER C C 13 175.94 0.3 . 1 . . . A 101 SER C . 25796 1 273 . 1 1 26 26 SER CA C 13 57.946 0.3 . 1 . . . A 101 SER CA . 25796 1 274 . 1 1 26 26 SER CB C 13 63.689 0.3 . 1 . . . A 101 SER CB . 25796 1 275 . 1 1 26 26 SER N N 15 120.24 0.1 . 1 . . . A 101 SER N . 25796 1 276 . 1 1 27 27 ALA H H 1 8.9909 0.02 . 1 . . . A 102 ALA H . 25796 1 277 . 1 1 27 27 ALA HA H 1 3.8785 0.02 . 1 . . . A 102 ALA HA . 25796 1 278 . 1 1 27 27 ALA HB1 H 1 1.3666 0.02 . 1 . . . A 102 ALA HB1 . 25796 1 279 . 1 1 27 27 ALA HB2 H 1 1.3666 0.02 . 1 . . . A 102 ALA HB2 . 25796 1 280 . 1 1 27 27 ALA HB3 H 1 1.3666 0.02 . 1 . . . A 102 ALA HB3 . 25796 1 281 . 1 1 27 27 ALA C C 13 179.39 0.3 . 1 . . . A 102 ALA C . 25796 1 282 . 1 1 27 27 ALA CA C 13 55.485 0.3 . 1 . . . A 102 ALA CA . 25796 1 283 . 1 1 27 27 ALA CB C 13 18.102 0.3 . 1 . . . A 102 ALA CB . 25796 1 284 . 1 1 27 27 ALA N N 15 129.55 0.1 . 1 . . . A 102 ALA N . 25796 1 285 . 1 1 28 28 ALA H H 1 8.6565 0.02 . 1 . . . A 103 ALA H . 25796 1 286 . 1 1 28 28 ALA HA H 1 4.1242 0.02 . 1 . . . A 103 ALA HA . 25796 1 287 . 1 1 28 28 ALA HB1 H 1 1.5577 0.02 . 1 . . . A 103 ALA HB1 . 25796 1 288 . 1 1 28 28 ALA HB2 H 1 1.5577 0.02 . 1 . . . A 103 ALA HB2 . 25796 1 289 . 1 1 28 28 ALA HB3 H 1 1.5577 0.02 . 1 . . . A 103 ALA HB3 . 25796 1 290 . 1 1 28 28 ALA C C 13 180.81 0.3 . 1 . . . A 103 ALA C . 25796 1 291 . 1 1 28 28 ALA CA C 13 55.133 0.3 . 1 . . . A 103 ALA CA . 25796 1 292 . 1 1 28 28 ALA CB C 13 18.453 0.3 . 1 . . . A 103 ALA CB . 25796 1 293 . 1 1 28 28 ALA N N 15 120.74 0.1 . 1 . . . A 103 ALA N . 25796 1 294 . 1 1 29 29 GLU H H 1 8.008 0.02 . 1 . . . A 104 GLU H . 25796 1 295 . 1 1 29 29 GLU HA H 1 3.4416 0.02 . 1 . . . A 104 GLU HA . 25796 1 296 . 1 1 29 29 GLU HB2 H 1 2.049 0.02 . 2 . . . A 104 GLU HB2 . 25796 1 297 . 1 1 29 29 GLU HB3 H 1 2.049 0.02 . 2 . . . A 104 GLU HB3 . 25796 1 298 . 1 1 29 29 GLU HG2 H 1 2.062 0.02 . 2 . . . A 104 GLU HG2 . 25796 1 299 . 1 1 29 29 GLU HG3 H 1 2.062 0.02 . 2 . . . A 104 GLU HG3 . 25796 1 300 . 1 1 29 29 GLU C C 13 178.02 0.3 . 1 . . . A 104 GLU C . 25796 1 301 . 1 1 29 29 GLU CA C 13 59.235 0.3 . 1 . . . A 104 GLU CA . 25796 1 302 . 1 1 29 29 GLU CB C 13 29.468 0.3 . 1 . . . A 104 GLU CB . 25796 1 303 . 1 1 29 29 GLU CG C 13 35.891 0.3 . 1 . . . A 104 GLU CG . 25796 1 304 . 1 1 29 29 GLU N N 15 121.24 0.1 . 1 . . . A 104 GLU N . 25796 1 305 . 1 1 30 30 LEU H H 1 8.2947 0.02 . 1 . . . A 105 LEU H . 25796 1 306 . 1 1 30 30 LEU HA H 1 3.7419 0.02 . 1 . . . A 105 LEU HA . 25796 1 307 . 1 1 30 30 LEU HB2 H 1 1.3393 0.02 . 2 . . . A 105 LEU HB2 . 25796 1 308 . 1 1 30 30 LEU HB3 H 1 1.8853 0.02 . 2 . . . A 105 LEU HB3 . 25796 1 309 . 1 1 30 30 LEU HG H 1 1.312 0.02 . 1 . . . A 105 LEU HG . 25796 1 310 . 1 1 30 30 LEU HD11 H 1 0.736 0.02 . 2 . . . A 105 LEU HD11 . 25796 1 311 . 1 1 30 30 LEU HD12 H 1 0.736 0.02 . 2 . . . A 105 LEU HD12 . 25796 1 312 . 1 1 30 30 LEU HD13 H 1 0.736 0.02 . 2 . . . A 105 LEU HD13 . 25796 1 313 . 1 1 30 30 LEU HD21 H 1 0.7523 0.02 . 2 . . . A 105 LEU HD21 . 25796 1 314 . 1 1 30 30 LEU HD22 H 1 0.7523 0.02 . 2 . . . A 105 LEU HD22 . 25796 1 315 . 1 1 30 30 LEU HD23 H 1 0.7523 0.02 . 2 . . . A 105 LEU HD23 . 25796 1 316 . 1 1 30 30 LEU C C 13 178.02 0.3 . 1 . . . A 105 LEU C . 25796 1 317 . 1 1 30 30 LEU CA C 13 57.946 0.3 . 1 . . . A 105 LEU CA . 25796 1 318 . 1 1 30 30 LEU CB C 13 41.422 0.3 . 1 . . . A 105 LEU CB . 25796 1 319 . 1 1 30 30 LEU CG C 13 26.641 0.3 . 1 . . . A 105 LEU CG . 25796 1 320 . 1 1 30 30 LEU CD1 C 13 22.907 0.3 . 2 . . . A 105 LEU CD1 . 25796 1 321 . 1 1 30 30 LEU CD2 C 13 25.719 0.3 . 2 . . . A 105 LEU CD2 . 25796 1 322 . 1 1 30 30 LEU N N 15 119.55 0.1 . 1 . . . A 105 LEU N . 25796 1 323 . 1 1 31 31 ARG H H 1 8.3971 0.02 . 1 . . . A 106 ARG H . 25796 1 324 . 1 1 31 31 ARG HA H 1 3.6054 0.02 . 1 . . . A 106 ARG HA . 25796 1 325 . 1 1 31 31 ARG HB2 H 1 1.858 0.02 . 2 . . . A 106 ARG HB2 . 25796 1 326 . 1 1 31 31 ARG HB3 H 1 1.858 0.02 . 2 . . . A 106 ARG HB3 . 25796 1 327 . 1 1 31 31 ARG HG2 H 1 1.5031 0.02 . 2 . . . A 106 ARG HG2 . 25796 1 328 . 1 1 31 31 ARG HG3 H 1 1.5031 0.02 . 2 . . . A 106 ARG HG3 . 25796 1 329 . 1 1 31 31 ARG HD2 H 1 3.0867 0.02 . 2 . . . A 106 ARG HD2 . 25796 1 330 . 1 1 31 31 ARG HD3 H 1 3.442 0.02 . 2 . . . A 106 ARG HD3 . 25796 1 331 . 1 1 31 31 ARG C C 13 178.13 0.3 . 1 . . . A 106 ARG C . 25796 1 332 . 1 1 31 31 ARG CA C 13 60.055 0.3 . 1 . . . A 106 ARG CA . 25796 1 333 . 1 1 31 31 ARG CB C 13 30.172 0.3 . 1 . . . A 106 ARG CB . 25796 1 334 . 1 1 31 31 ARG CG C 13 27.594 0.3 . 1 . . . A 106 ARG CG . 25796 1 335 . 1 1 31 31 ARG CD C 13 43.016 0.3 . 1 . . . A 106 ARG CD . 25796 1 336 . 1 1 31 31 ARG N N 15 117.86 0.1 . 1 . . . A 106 ARG N . 25796 1 337 . 1 1 32 32 HIS H H 1 7.8101 0.02 . 1 . . . A 107 HIS H . 25796 1 338 . 1 1 32 32 HIS HA H 1 4.0423 0.02 . 1 . . . A 107 HIS HA . 25796 1 339 . 1 1 32 32 HIS HB2 H 1 2.977 0.02 . 2 . . . A 107 HIS HB2 . 25796 1 340 . 1 1 32 32 HIS HB3 H 1 3.052 0.02 . 2 . . . A 107 HIS HB3 . 25796 1 341 . 1 1 32 32 HIS HD2 H 1 6.7396 0.02 . 2 . . . A 107 HIS HD2 . 25796 1 342 . 1 1 32 32 HIS HE1 H 1 7.97 0.02 . 2 . . . A 107 HIS HE1 . 25796 1 343 . 1 1 32 32 HIS C C 13 177.75 0.3 . 1 . . . A 107 HIS C . 25796 1 344 . 1 1 32 32 HIS CA C 13 60.173 0.3 . 1 . . . A 107 HIS CA . 25796 1 345 . 1 1 32 32 HIS CB C 13 30.523 0.3 . 1 . . . A 107 HIS CB . 25796 1 346 . 1 1 32 32 HIS CD2 C 13 118.186 0.3 . 2 . . . A 107 HIS CD2 . 25796 1 347 . 1 1 32 32 HIS N N 15 119.11 0.1 . 1 . . . A 107 HIS N . 25796 1 348 . 1 1 33 33 VAL H H 1 8.3356 0.02 . 1 . . . A 108 VAL H . 25796 1 349 . 1 1 33 33 VAL HA H 1 3.4143 0.02 . 1 . . . A 108 VAL HA . 25796 1 350 . 1 1 33 33 VAL HB H 1 1.8034 0.02 . 1 . . . A 108 VAL HB . 25796 1 351 . 1 1 33 33 VAL HG11 H 1 0.6567 0.02 . 2 . . . A 108 VAL HG11 . 25796 1 352 . 1 1 33 33 VAL HG12 H 1 0.6567 0.02 . 2 . . . A 108 VAL HG12 . 25796 1 353 . 1 1 33 33 VAL HG13 H 1 0.6567 0.02 . 2 . . . A 108 VAL HG13 . 25796 1 354 . 1 1 33 33 VAL HG21 H 1 0.6977 0.02 . 2 . . . A 108 VAL HG21 . 25796 1 355 . 1 1 33 33 VAL HG22 H 1 0.6977 0.02 . 2 . . . A 108 VAL HG22 . 25796 1 356 . 1 1 33 33 VAL HG23 H 1 0.6977 0.02 . 2 . . . A 108 VAL HG23 . 25796 1 357 . 1 1 33 33 VAL C C 13 177.313 0.3 . 1 . . . A 108 VAL C . 25796 1 358 . 1 1 33 33 VAL CA C 13 66.735 0.3 . 1 . . . A 108 VAL CA . 25796 1 359 . 1 1 33 33 VAL CB C 13 31.812 0.3 . 1 . . . A 108 VAL CB . 25796 1 360 . 1 1 33 33 VAL CG1 C 13 21.891 0.3 . 2 . . . A 108 VAL CG1 . 25796 1 361 . 1 1 33 33 VAL CG2 C 13 21.891 0.3 . 2 . . . A 108 VAL CG2 . 25796 1 362 . 1 1 33 33 VAL N N 15 116.74 0.1 . 1 . . . A 108 VAL N . 25796 1 363 . 1 1 34 34 MET H H 1 8.2947 0.02 . 1 . . . A 109 MET H . 25796 1 364 . 1 1 34 34 MET HA H 1 4.2607 0.02 . 1 . . . A 109 MET HA . 25796 1 365 . 1 1 34 34 MET HB2 H 1 1.585 0.02 . 2 . . . A 109 MET HB2 . 25796 1 366 . 1 1 34 34 MET HB3 H 1 2.2676 0.02 . 2 . . . A 109 MET HB3 . 25796 1 367 . 1 1 34 34 MET HG2 H 1 2.528 0.02 . 2 . . . A 109 MET HG2 . 25796 1 368 . 1 1 34 34 MET HG3 H 1 2.651 0.02 . 2 . . . A 109 MET HG3 . 25796 1 369 . 1 1 34 34 MET HE1 H 1 1.924 0.02 . 1 . . . A 109 MET HE1 . 25796 1 370 . 1 1 34 34 MET HE2 H 1 1.924 0.02 . 1 . . . A 109 MET HE2 . 25796 1 371 . 1 1 34 34 MET HE3 H 1 1.924 0.02 . 1 . . . A 109 MET HE3 . 25796 1 372 . 1 1 34 34 MET C C 13 178.18 0.3 . 1 . . . A 109 MET C . 25796 1 373 . 1 1 34 34 MET CA C 13 56.656 0.3 . 1 . . . A 109 MET CA . 25796 1 374 . 1 1 34 34 MET CB C 13 36.617 0.3 . 1 . . . A 109 MET CB . 25796 1 375 . 1 1 34 34 MET CG C 13 33.687 0.3 . 1 . . . A 109 MET CG . 25796 1 376 . 1 1 34 34 MET CE C 13 20.642 0.3 . 1 . . . A 109 MET CE . 25796 1 377 . 1 1 34 34 MET N N 15 113.05 0.1 . 1 . . . A 109 MET N . 25796 1 378 . 1 1 35 35 THR H H 1 7.5303 0.02 . 1 . . . A 110 THR H . 25796 1 379 . 1 1 35 35 THR HA H 1 4.6702 0.02 . 1 . . . A 110 THR HA . 25796 1 380 . 1 1 35 35 THR HB H 1 4.3426 0.02 . 1 . . . A 110 THR HB . 25796 1 381 . 1 1 35 35 THR HG21 H 1 1.1482 0.02 . 2 . . . A 110 THR HG21 . 25796 1 382 . 1 1 35 35 THR HG22 H 1 1.1482 0.02 . 2 . . . A 110 THR HG22 . 25796 1 383 . 1 1 35 35 THR HG23 H 1 1.1482 0.02 . 2 . . . A 110 THR HG23 . 25796 1 384 . 1 1 35 35 THR C C 13 175.23 0.3 . 1 . . . A 110 THR C . 25796 1 385 . 1 1 35 35 THR CA C 13 61.93 0.3 . 1 . . . A 110 THR CA . 25796 1 386 . 1 1 35 35 THR CB C 13 70.837 0.3 . 1 . . . A 110 THR CB . 25796 1 387 . 1 1 35 35 THR CG2 C 13 21.383 0.3 . 2 . . . A 110 THR CG2 . 25796 1 388 . 1 1 35 35 THR N N 15 103.86 0.1 . 1 . . . A 110 THR N . 25796 1 389 . 1 1 36 36 ASN H H 1 7.1616 0.02 . 1 . . . A 111 ASN H . 25796 1 390 . 1 1 36 36 ASN HA H 1 4.8887 0.02 . 1 . . . A 111 ASN HA . 25796 1 391 . 1 1 36 36 ASN HB2 H 1 2.2403 0.02 . 2 . . . A 111 ASN HB2 . 25796 1 392 . 1 1 36 36 ASN HB3 H 1 2.4587 0.02 . 2 . . . A 111 ASN HB3 . 25796 1 393 . 1 1 36 36 ASN HD21 H 1 6.7657 0.02 . 2 . . . A 111 ASN HD21 . 25796 1 394 . 1 1 36 36 ASN HD22 H 1 7.4756 0.02 . 2 . . . A 111 ASN HD22 . 25796 1 395 . 1 1 36 36 ASN C C 13 173.42 0.3 . 1 . . . A 111 ASN C . 25796 1 396 . 1 1 36 36 ASN CA C 13 54.782 0.3 . 1 . . . A 111 ASN CA . 25796 1 397 . 1 1 36 36 ASN CB C 13 41.539 0.3 . 1 . . . A 111 ASN CB . 25796 1 398 . 1 1 36 36 ASN N N 15 116.181 0.1 . 1 . . . A 111 ASN N . 25796 1 399 . 1 1 36 36 ASN ND2 N 15 116.74 0.1 . 1 . . . A 111 ASN ND2 . 25796 1 400 . 1 1 37 37 LEU H H 1 7.5643 0.02 . 1 . . . A 112 LEU H . 25796 1 401 . 1 1 37 37 LEU HA H 1 4.8068 0.02 . 1 . . . A 112 LEU HA . 25796 1 402 . 1 1 37 37 LEU HB2 H 1 1.3939 0.02 . 2 . . . A 112 LEU HB2 . 25796 1 403 . 1 1 37 37 LEU HB3 H 1 1.7215 0.02 . 2 . . . A 112 LEU HB3 . 25796 1 404 . 1 1 37 37 LEU HG H 1 1.517 0.02 . 1 . . . A 112 LEU HG . 25796 1 405 . 1 1 37 37 LEU HD11 H 1 0.9434 0.02 . 2 . . . A 112 LEU HD11 . 25796 1 406 . 1 1 37 37 LEU HD12 H 1 0.9434 0.02 . 2 . . . A 112 LEU HD12 . 25796 1 407 . 1 1 37 37 LEU HD13 H 1 0.9434 0.02 . 2 . . . A 112 LEU HD13 . 25796 1 408 . 1 1 37 37 LEU HD21 H 1 0.9844 0.02 . 2 . . . A 112 LEU HD21 . 25796 1 409 . 1 1 37 37 LEU HD22 H 1 0.9844 0.02 . 2 . . . A 112 LEU HD22 . 25796 1 410 . 1 1 37 37 LEU HD23 H 1 0.9844 0.02 . 2 . . . A 112 LEU HD23 . 25796 1 411 . 1 1 37 37 LEU C C 13 176.49 0.3 . 1 . . . A 112 LEU C . 25796 1 412 . 1 1 37 37 LEU CA C 13 53.375 0.3 . 1 . . . A 112 LEU CA . 25796 1 413 . 1 1 37 37 LEU CB C 13 46.461 0.3 . 1 . . . A 112 LEU CB . 25796 1 414 . 1 1 37 37 LEU CG C 13 27.641 0.3 . 1 . . . A 112 LEU CG . 25796 1 415 . 1 1 37 37 LEU CD1 C 13 24.075 0.3 . 2 . . . A 112 LEU CD1 . 25796 1 416 . 1 1 37 37 LEU CD2 C 13 26.141 0.3 . 2 . . . A 112 LEU CD2 . 25796 1 417 . 1 1 37 37 LEU N N 15 119.99 0.1 . 1 . . . A 112 LEU N . 25796 1 418 . 1 1 38 38 GLY H H 1 9.1138 0.02 . 1 . . . A 113 GLY H . 25796 1 419 . 1 1 38 38 GLY HA2 H 1 3.8512 0.02 . 2 . . . A 113 GLY HA2 . 25796 1 420 . 1 1 38 38 GLY HA3 H 1 3.8512 0.02 . 2 . . . A 113 GLY HA3 . 25796 1 421 . 1 1 38 38 GLY C C 13 175.67 0.3 . 1 . . . A 113 GLY C . 25796 1 422 . 1 1 38 38 GLY CA C 13 47.047 0.3 . 1 . . . A 113 GLY CA . 25796 1 423 . 1 1 38 38 GLY N N 15 107.86 0.1 . 1 . . . A 113 GLY N . 25796 1 424 . 1 1 39 39 GLU H H 1 9.1343 0.02 . 1 . . . A 114 GLU H . 25796 1 425 . 1 1 39 39 GLU HA H 1 4.3426 0.02 . 1 . . . A 114 GLU HA . 25796 1 426 . 1 1 39 39 GLU HB2 H 1 1.7215 0.02 . 2 . . . A 114 GLU HB2 . 25796 1 427 . 1 1 39 39 GLU HB3 H 1 1.8853 0.02 . 2 . . . A 114 GLU HB3 . 25796 1 428 . 1 1 39 39 GLU HG2 H 1 2.179 0.02 . 2 . . . A 114 GLU HG2 . 25796 1 429 . 1 1 39 39 GLU HG3 H 1 2.25 0.02 . 2 . . . A 114 GLU HG3 . 25796 1 430 . 1 1 39 39 GLU C C 13 175.72 0.3 . 1 . . . A 114 GLU C . 25796 1 431 . 1 1 39 39 GLU CA C 13 55.367 0.3 . 1 . . . A 114 GLU CA . 25796 1 432 . 1 1 39 39 GLU CB C 13 27.945 0.3 . 1 . . . A 114 GLU CB . 25796 1 433 . 1 1 39 39 GLU CG C 13 36.031 0.3 . 1 . . . A 114 GLU CG . 25796 1 434 . 1 1 39 39 GLU N N 15 128.49 0.1 . 1 . . . A 114 GLU N . 25796 1 435 . 1 1 40 40 LYS H H 1 7.0319 0.02 . 1 . . . A 115 LYS H . 25796 1 436 . 1 1 40 40 LYS HA H 1 3.7692 0.02 . 1 . . . A 115 LYS HA . 25796 1 437 . 1 1 40 40 LYS HB2 H 1 1.4485 0.02 . 2 . . . A 115 LYS HB2 . 25796 1 438 . 1 1 40 40 LYS HB3 H 1 1.6396 0.02 . 2 . . . A 115 LYS HB3 . 25796 1 439 . 1 1 40 40 LYS HG2 H 1 0.847 0.02 . 2 . . . A 115 LYS HG2 . 25796 1 440 . 1 1 40 40 LYS HG3 H 1 1.0936 0.02 . 2 . . . A 115 LYS HG3 . 25796 1 441 . 1 1 40 40 LYS HD2 H 1 1.548 0.02 . 2 . . . A 115 LYS HD2 . 25796 1 442 . 1 1 40 40 LYS HD3 H 1 1.647 0.02 . 2 . . . A 115 LYS HD3 . 25796 1 443 . 1 1 40 40 LYS HE2 H 1 2.8956 0.02 . 2 . . . A 115 LYS HE2 . 25796 1 444 . 1 1 40 40 LYS HE3 H 1 2.8956 0.02 . 2 . . . A 115 LYS HE3 . 25796 1 445 . 1 1 40 40 LYS C C 13 177.20 0.3 . 1 . . . A 115 LYS C . 25796 1 446 . 1 1 40 40 LYS CA C 13 58.18 0.3 . 1 . . . A 115 LYS CA . 25796 1 447 . 1 1 40 40 LYS CB C 13 32.75 0.3 . 1 . . . A 115 LYS CB . 25796 1 448 . 1 1 40 40 LYS CG C 13 24.782 0.3 . 1 . . . A 115 LYS CG . 25796 1 449 . 1 1 40 40 LYS CD C 13 29.391 0.3 . 1 . . . A 115 LYS CD . 25796 1 450 . 1 1 40 40 LYS CE C 13 42.016 0.3 . 1 . . . A 115 LYS CE . 25796 1 451 . 1 1 40 40 LYS N N 15 115.93 0.1 . 1 . . . A 115 LYS N . 25796 1 452 . 1 1 41 41 LEU H H 1 8.1991 0.02 . 1 . . . A 116 LEU H . 25796 1 453 . 1 1 41 41 LEU HA H 1 4.5883 0.02 . 1 . . . A 116 LEU HA . 25796 1 454 . 1 1 41 41 LEU HB2 H 1 1.2301 0.02 . 2 . . . A 116 LEU HB2 . 25796 1 455 . 1 1 41 41 LEU HB3 H 1 1.7215 0.02 . 2 . . . A 116 LEU HB3 . 25796 1 456 . 1 1 41 41 LEU HG H 1 0.643 0.02 . 1 . . . A 116 LEU HG . 25796 1 457 . 1 1 41 41 LEU HD11 H 1 0.908 0.02 . 2 . . . A 116 LEU HD11 . 25796 1 458 . 1 1 41 41 LEU HD12 H 1 0.908 0.02 . 2 . . . A 116 LEU HD12 . 25796 1 459 . 1 1 41 41 LEU HD13 H 1 0.908 0.02 . 2 . . . A 116 LEU HD13 . 25796 1 460 . 1 1 41 41 LEU HD21 H 1 0.941 0.02 . 2 . . . A 116 LEU HD21 . 25796 1 461 . 1 1 41 41 LEU HD22 H 1 0.941 0.02 . 2 . . . A 116 LEU HD22 . 25796 1 462 . 1 1 41 41 LEU HD23 H 1 0.941 0.02 . 2 . . . A 116 LEU HD23 . 25796 1 463 . 1 1 41 41 LEU C C 13 177.58 0.3 . 1 . . . A 116 LEU C . 25796 1 464 . 1 1 41 41 LEU CA C 13 54.078 0.3 . 1 . . . A 116 LEU CA . 25796 1 465 . 1 1 41 41 LEU CB C 13 42.009 0.3 . 1 . . . A 116 LEU CB . 25796 1 466 . 1 1 41 41 LEU CG C 13 26.890 0.3 . 1 . . . A 116 LEU CG . 25796 1 467 . 1 1 41 41 LEU CD1 C 13 22.086 0.3 . 2 . . . A 116 LEU CD1 . 25796 1 468 . 1 1 41 41 LEU CD2 C 13 23.891 0.3 . 2 . . . A 116 LEU CD2 . 25796 1 469 . 1 1 41 41 LEU N N 15 121.74 0.1 . 1 . . . A 116 LEU N . 25796 1 470 . 1 1 42 42 THR H H 1 9.2435 0.02 . 1 . . . A 117 THR H . 25796 1 471 . 1 1 42 42 THR HA H 1 4.41 0.02 . 1 . . . A 117 THR HA . 25796 1 472 . 1 1 42 42 THR HB H 1 4.776 0.02 . 1 . . . A 117 THR HB . 25796 1 473 . 1 1 42 42 THR HG21 H 1 1.366 0.02 . 2 . . . A 117 THR HG21 . 25796 1 474 . 1 1 42 42 THR HG22 H 1 1.366 0.02 . 2 . . . A 117 THR HG22 . 25796 1 475 . 1 1 42 42 THR HG23 H 1 1.366 0.02 . 2 . . . A 117 THR HG23 . 25796 1 476 . 1 1 42 42 THR C C 13 175.78 0.3 . 1 . . . A 117 THR C . 25796 1 477 . 1 1 42 42 THR CA C 13 60.875 0.3 . 1 . . . A 117 THR CA . 25796 1 478 . 1 1 42 42 THR CB C 13 71.306 0.3 . 1 . . . A 117 THR CB . 25796 1 479 . 1 1 42 42 THR CG2 C 13 22.086 0.3 . 2 . . . A 117 THR CG2 . 25796 1 480 . 1 1 42 42 THR N N 15 111.68 0.1 . 1 . . . A 117 THR N . 25796 1 481 . 1 1 43 43 ASP H H 1 8.8339 0.02 . 1 . . . A 118 ASP H . 25796 1 482 . 1 1 43 43 ASP HA H 1 4.2333 0.02 . 1 . . . A 118 ASP HA . 25796 1 483 . 1 1 43 43 ASP HB2 H 1 2.52 0.02 . 2 . . . A 118 ASP HB2 . 25796 1 484 . 1 1 43 43 ASP HB3 H 1 2.65 0.02 . 2 . . . A 118 ASP HB3 . 25796 1 485 . 1 1 43 43 ASP C C 13 178.0 0.3 . 1 . . . A 118 ASP C . 25796 1 486 . 1 1 43 43 ASP CA C 13 58.18 0.3 . 1 . . . A 118 ASP CA . 25796 1 487 . 1 1 43 43 ASP CB C 13 40.485 0.3 . 1 . . . A 118 ASP CB . 25796 1 488 . 1 1 43 43 ASP N N 15 120.55 0.1 . 1 . . . A 118 ASP N . 25796 1 489 . 1 1 44 44 GLU H H 1 8.4585 0.02 . 1 . . . A 119 GLU H . 25796 1 490 . 1 1 44 44 GLU HA H 1 4.1242 0.02 . 1 . . . A 119 GLU HA . 25796 1 491 . 1 1 44 44 GLU HB2 H 1 2.0219 0.02 . 2 . . . A 119 GLU HB2 . 25796 1 492 . 1 1 44 44 GLU HB3 H 1 2.0219 0.02 . 2 . . . A 119 GLU HB3 . 25796 1 493 . 1 1 44 44 GLU HG2 H 1 2.3768 0.02 . 2 . . . A 119 GLU HG2 . 25796 1 494 . 1 1 44 44 GLU HG3 H 1 2.3768 0.02 . 2 . . . A 119 GLU HG3 . 25796 1 495 . 1 1 44 44 GLU C C 13 179.93 0.3 . 1 . . . A 119 GLU C . 25796 1 496 . 1 1 44 44 GLU CA C 13 59.938 0.3 . 1 . . . A 119 GLU CA . 25796 1 497 . 1 1 44 44 GLU CB C 13 29.468 0.3 . 1 . . . A 119 GLU CB . 25796 1 498 . 1 1 44 44 GLU CG C 13 36.969 0.3 . 1 . . . A 119 GLU CG . 25796 1 499 . 1 1 44 44 GLU N N 15 117.93 0.1 . 1 . . . A 119 GLU N . 25796 1 500 . 1 1 45 45 GLU H H 1 7.8647 0.02 . 1 . . . A 120 GLU H . 25796 1 501 . 1 1 45 45 GLU HA H 1 4.1788 0.02 . 1 . . . A 120 GLU HA . 25796 1 502 . 1 1 45 45 GLU HB2 H 1 1.89 0.02 . 2 . . . A 120 GLU HB2 . 25796 1 503 . 1 1 45 45 GLU HB3 H 1 2.6 0.02 . 2 . . . A 120 GLU HB3 . 25796 1 504 . 1 1 45 45 GLU HG2 H 1 2.3632 0.02 . 2 . . . A 120 GLU HG2 . 25796 1 505 . 1 1 45 45 GLU HG3 H 1 2.5952 0.02 . 2 . . . A 120 GLU HG3 . 25796 1 506 . 1 1 45 45 GLU C C 13 178.62 0.3 . 1 . . . A 120 GLU C . 25796 1 507 . 1 1 45 45 GLU CA C 13 59.469 0.3 . 1 . . . A 120 GLU CA . 25796 1 508 . 1 1 45 45 GLU CB C 13 31.695 0.3 . 1 . . . A 120 GLU CB . 25796 1 509 . 1 1 45 45 GLU CG C 13 38.141 0.3 . 1 . . . A 120 GLU CG . 25796 1 510 . 1 1 45 45 GLU N N 15 120.74 0.1 . 1 . . . A 120 GLU N . 25796 1 511 . 1 1 46 46 VAL H H 1 8.4517 0.02 . 1 . . . A 121 VAL H . 25796 1 512 . 1 1 46 46 VAL HA H 1 3.4962 0.02 . 1 . . . A 121 VAL HA . 25796 1 513 . 1 1 46 46 VAL HB H 1 1.9399 0.02 . 1 . . . A 121 VAL HB . 25796 1 514 . 1 1 46 46 VAL HG11 H 1 0.8888 0.02 . 2 . . . A 121 VAL HG11 . 25796 1 515 . 1 1 46 46 VAL HG12 H 1 0.8888 0.02 . 2 . . . A 121 VAL HG12 . 25796 1 516 . 1 1 46 46 VAL HG13 H 1 0.8888 0.02 . 2 . . . A 121 VAL HG13 . 25796 1 517 . 1 1 46 46 VAL HG21 H 1 0.902 0.02 . 2 . . . A 121 VAL HG21 . 25796 1 518 . 1 1 46 46 VAL HG22 H 1 0.902 0.02 . 2 . . . A 121 VAL HG22 . 25796 1 519 . 1 1 46 46 VAL HG23 H 1 0.902 0.02 . 2 . . . A 121 VAL HG23 . 25796 1 520 . 1 1 46 46 VAL C C 13 177.09 0.3 . 1 . . . A 121 VAL C . 25796 1 521 . 1 1 46 46 VAL CA C 13 65.68 0.3 . 1 . . . A 121 VAL CA . 25796 1 522 . 1 1 46 46 VAL CB C 13 31.016 0.3 . 1 . . . A 121 VAL CB . 25796 1 523 . 1 1 46 46 VAL CG1 C 13 21.266 0.3 . 2 . . . A 121 VAL CG1 . 25796 1 524 . 1 1 46 46 VAL CG2 C 13 24.766 0.3 . 2 . . . A 121 VAL CG2 . 25796 1 525 . 1 1 46 46 VAL N N 15 118.68 0.1 . 1 . . . A 121 VAL N . 25796 1 526 . 1 1 47 47 ASP H H 1 8.3288 0.02 . 1 . . . A 122 ASP H . 25796 1 527 . 1 1 47 47 ASP HA H 1 4.3153 0.02 . 1 . . . A 122 ASP HA . 25796 1 528 . 1 1 47 47 ASP HB2 H 1 2.5952 0.02 . 2 . . . A 122 ASP HB2 . 25796 1 529 . 1 1 47 47 ASP HB3 H 1 2.97775 0.02 . 2 . . . A 122 ASP HB3 . 25796 1 530 . 1 1 47 47 ASP C C 13 179.22 0.3 . 1 . . . A 122 ASP C . 25796 1 531 . 1 1 47 47 ASP CA C 13 57.595 0.3 . 1 . . . A 122 ASP CA . 25796 1 532 . 1 1 47 47 ASP CB C 13 40.016 0.3 . 1 . . . A 122 ASP CB . 25796 1 533 . 1 1 47 47 ASP N N 15 121.86 0.1 . 1 . . . A 122 ASP N . 25796 1 534 . 1 1 48 48 GLU H H 1 7.5643 0.02 . 1 . . . A 123 GLU H . 25796 1 535 . 1 1 48 48 GLU HA H 1 4.1515 0.02 . 1 . . . A 123 GLU HA . 25796 1 536 . 1 1 48 48 GLU HB2 H 1 2.3768 0.02 . 2 . . . A 123 GLU HB2 . 25796 1 537 . 1 1 48 48 GLU HB3 H 1 2.3768 0.02 . 2 . . . A 123 GLU HB3 . 25796 1 538 . 1 1 48 48 GLU HG2 H 1 2.5133 0.02 . 2 . . . A 123 GLU HG2 . 25796 1 539 . 1 1 48 48 GLU HG3 H 1 2.5133 0.02 . 2 . . . A 123 GLU HG3 . 25796 1 540 . 1 1 48 48 GLU C C 13 177.91 0.3 . 1 . . . A 123 GLU C . 25796 1 541 . 1 1 48 48 GLU CA C 13 59 0.3 . 1 . . . A 123 GLU CA . 25796 1 542 . 1 1 48 48 GLU CB C 13 29.248 0.3 . 1 . . . A 123 GLU CB . 25796 1 543 . 1 1 48 48 GLU CG C 13 35.562 0.3 . 1 . . . A 123 GLU CG . 25796 1 544 . 1 1 48 48 GLU N N 15 119.80 0.1 . 1 . . . A 123 GLU N . 25796 1 545 . 1 1 49 49 MET H H 1 8.1036 0.02 . 1 . . . A 124 MET H . 25796 1 546 . 1 1 49 49 MET HA H 1 3.8018 0.02 . 1 . . . A 124 MET HA . 25796 1 547 . 1 1 49 49 MET HB2 H 1 1.8853 0.02 . 2 . . . A 124 MET HB2 . 25796 1 548 . 1 1 49 49 MET HB3 H 1 1.8853 0.02 . 2 . . . A 124 MET HB3 . 25796 1 549 . 1 1 49 49 MET HG2 H 1 1.312 0.02 . 2 . . . A 124 MET HG2 . 25796 1 550 . 1 1 49 49 MET HG3 H 1 1.312 0.02 . 2 . . . A 124 MET HG3 . 25796 1 551 . 1 1 49 49 MET HE1 H 1 1.5845 0.02 . 1 . . . A 124 MET HE1 . 25796 1 552 . 1 1 49 49 MET HE2 H 1 1.5845 0.02 . 1 . . . A 124 MET HE2 . 25796 1 553 . 1 1 49 49 MET HE3 H 1 1.5845 0.02 . 1 . . . A 124 MET HE3 . 25796 1 554 . 1 1 49 49 MET C C 13 177.20 0.3 . 1 . . . A 124 MET C . 25796 1 555 . 1 1 49 49 MET CA C 13 59.938 0.3 . 1 . . . A 124 MET CA . 25796 1 556 . 1 1 49 49 MET CB C 13 31.93 0.3 . 1 . . . A 124 MET CB . 25796 1 557 . 1 1 49 49 MET CG C 13 33.015 0.3 . 1 . . . A 124 MET CG . 25796 1 558 . 1 1 49 49 MET CE C 13 17.497 0.3 . 1 . . . A 124 MET CE . 25796 1 559 . 1 1 49 49 MET N N 15 120.05 0.1 . 1 . . . A 124 MET N . 25796 1 560 . 1 1 50 50 ILE H H 1 8.2674 0.02 . 1 . . . A 125 ILE H . 25796 1 561 . 1 1 50 50 ILE HA H 1 3.7419 0.02 . 1 . . . A 125 ILE HA . 25796 1 562 . 1 1 50 50 ILE HB H 1 2.0219 0.02 . 1 . . . A 125 ILE HB . 25796 1 563 . 1 1 50 50 ILE HG12 H 1 1.4076 0.02 . 2 . . . A 125 ILE HG12 . 25796 1 564 . 1 1 50 50 ILE HG13 H 1 1.4076 0.02 . 2 . . . A 125 ILE HG13 . 25796 1 565 . 1 1 50 50 ILE HG21 H 1 0.8615 0.02 . 2 . . . A 125 ILE HG21 . 25796 1 566 . 1 1 50 50 ILE HG22 H 1 0.8615 0.02 . 2 . . . A 125 ILE HG22 . 25796 1 567 . 1 1 50 50 ILE HG23 H 1 0.8615 0.02 . 2 . . . A 125 ILE HG23 . 25796 1 568 . 1 1 50 50 ILE HD11 H 1 0.684 0.02 . 2 . . . A 125 ILE HD11 . 25796 1 569 . 1 1 50 50 ILE HD12 H 1 0.684 0.02 . 2 . . . A 125 ILE HD12 . 25796 1 570 . 1 1 50 50 ILE HD13 H 1 0.684 0.02 . 2 . . . A 125 ILE HD13 . 25796 1 571 . 1 1 50 50 ILE C C 13 177.58 0.3 . 1 . . . A 125 ILE C . 25796 1 572 . 1 1 50 50 ILE CA C 13 63.102 0.3 . 1 . . . A 125 ILE CA . 25796 1 573 . 1 1 50 50 ILE CB C 13 36.766 0.3 . 1 . . . A 125 ILE CB . 25796 1 574 . 1 1 50 50 ILE CG1 C 13 28.016 0.3 . 2 . . . A 125 ILE CG1 . 25796 1 575 . 1 1 50 50 ILE CG2 C 13 17.766 0.3 . 2 . . . A 125 ILE CG2 . 25796 1 576 . 1 1 50 50 ILE CD1 C 13 11.891 0.3 . 2 . . . A 125 ILE CD1 . 25796 1 577 . 1 1 50 50 ILE N N 15 114.49 0.1 . 1 . . . A 125 ILE N . 25796 1 578 . 1 1 51 51 ARG H H 1 7.8988 0.02 . 1 . . . A 126 ARG H . 25796 1 579 . 1 1 51 51 ARG HA H 1 4.0969 0.02 . 1 . . . A 126 ARG HA . 25796 1 580 . 1 1 51 51 ARG HB2 H 1 1.9946 0.02 . 2 . . . A 126 ARG HB2 . 25796 1 581 . 1 1 51 51 ARG HB3 H 1 1.9946 0.02 . 2 . . . A 126 ARG HB3 . 25796 1 582 . 1 1 51 51 ARG HG2 H 1 1.696 0.02 . 2 . . . A 126 ARG HG2 . 25796 1 583 . 1 1 51 51 ARG HG3 H 1 1.7215 0.02 . 2 . . . A 126 ARG HG3 . 25796 1 584 . 1 1 51 51 ARG HD2 H 1 3.251 0.02 . 2 . . . A 126 ARG HD2 . 25796 1 585 . 1 1 51 51 ARG HD3 H 1 3.251 0.02 . 2 . . . A 126 ARG HD3 . 25796 1 586 . 1 1 51 51 ARG C C 13 178.46 0.3 . 1 . . . A 126 ARG C . 25796 1 587 . 1 1 51 51 ARG CA C 13 59.469 0.3 . 1 . . . A 126 ARG CA . 25796 1 588 . 1 1 51 51 ARG CB C 13 30.523 0.3 . 1 . . . A 126 ARG CB . 25796 1 589 . 1 1 51 51 ARG CG C 13 27.476 0.3 . 1 . . . A 126 ARG CG . 25796 1 590 . 1 1 51 51 ARG CD C 13 43.648 0.3 . 1 . . . A 126 ARG CD . 25796 1 591 . 1 1 51 51 ARG N N 15 120.494 0.1 . 1 . . . A 126 ARG N . 25796 1 592 . 1 1 52 52 GLU H H 1 7.9329 0.02 . 1 . . . A 127 GLU H . 25796 1 593 . 1 1 52 52 GLU HA H 1 4.2607 0.02 . 1 . . . A 127 GLU HA . 25796 1 594 . 1 1 52 52 GLU HB2 H 1 2.1303 0.02 . 2 . . . A 127 GLU HB2 . 25796 1 595 . 1 1 52 52 GLU HB3 H 1 2.3216 0.02 . 2 . . . A 127 GLU HB3 . 25796 1 596 . 1 1 52 52 GLU HG2 H 1 2.504 0.02 . 2 . . . A 127 GLU HG2 . 25796 1 597 . 1 1 52 52 GLU HG3 H 1 2.6225 0.02 . 2 . . . A 127 GLU HG3 . 25796 1 598 . 1 1 52 52 GLU C C 13 176.65 0.3 . 1 . . . A 127 GLU C . 25796 1 599 . 1 1 52 52 GLU CA C 13 57.242 0.3 . 1 . . . A 127 GLU CA . 25796 1 600 . 1 1 52 52 GLU CB C 13 29.82 0.3 . 1 . . . A 127 GLU CB . 25796 1 601 . 1 1 52 52 GLU CG C 13 35.679 0.3 . 1 . . . A 127 GLU CG . 25796 1 602 . 1 1 52 52 GLU N N 15 115.931 0.1 . 1 . . . A 127 GLU N . 25796 1 603 . 1 1 53 53 ALA H H 1 7.8169 0.02 . 1 . . . A 128 ALA H . 25796 1 604 . 1 1 53 53 ALA HA H 1 4.0969 0.02 . 1 . . . A 128 ALA HA . 25796 1 605 . 1 1 53 53 ALA HB1 H 1 0.8478 0.02 . 1 . . . A 128 ALA HB1 . 25796 1 606 . 1 1 53 53 ALA HB2 H 1 0.8478 0.02 . 1 . . . A 128 ALA HB2 . 25796 1 607 . 1 1 53 53 ALA HB3 H 1 0.8478 0.02 . 1 . . . A 128 ALA HB3 . 25796 1 608 . 1 1 53 53 ALA C C 13 176.93 0.3 . 1 . . . A 128 ALA C . 25796 1 609 . 1 1 53 53 ALA CA C 13 52.438 0.3 . 1 . . . A 128 ALA CA . 25796 1 610 . 1 1 53 53 ALA CB C 13 19.742 0.3 . 1 . . . A 128 ALA CB . 25796 1 611 . 1 1 53 53 ALA N N 15 120.43 0.1 . 1 . . . A 128 ALA N . 25796 1 612 . 1 1 54 54 ASP H H 1 8.4722 0.02 . 1 . . . A 129 ASP H . 25796 1 613 . 1 1 54 54 ASP HA H 1 4.7521 0.02 . 1 . . . A 129 ASP HA . 25796 1 614 . 1 1 54 54 ASP HB2 H 1 2.3768 0.02 . 2 . . . A 129 ASP HB2 . 25796 1 615 . 1 1 54 54 ASP HB3 H 1 2.8956 0.02 . 2 . . . A 129 ASP HB3 . 25796 1 616 . 1 1 54 54 ASP C C 13 175.78 0.3 . 1 . . . A 129 ASP C . 25796 1 617 . 1 1 54 54 ASP CA C 13 53.375 0.3 . 1 . . . A 129 ASP CA . 25796 1 618 . 1 1 54 54 ASP CB C 13 39.899 0.3 . 1 . . . A 129 ASP CB . 25796 1 619 . 1 1 54 54 ASP N N 15 119.61 0.1 . 1 . . . A 129 ASP N . 25796 1 620 . 1 1 55 55 ILE H H 1 7.8988 0.02 . 1 . . . A 130 ILE H . 25796 1 621 . 1 1 55 55 ILE HA H 1 4.2334 0.02 . 1 . . . A 130 ILE HA . 25796 1 622 . 1 1 55 55 ILE HB H 1 1.8034 0.02 . 1 . . . A 130 ILE HB . 25796 1 623 . 1 1 55 55 ILE HG12 H 1 1.08 0.02 . 2 . . . A 130 ILE HG12 . 25796 1 624 . 1 1 55 55 ILE HG13 H 1 1.5304 0.02 . 2 . . . A 130 ILE HG13 . 25796 1 625 . 1 1 55 55 ILE HG21 H 1 0.9434 0.02 . 2 . . . A 130 ILE HG21 . 25796 1 626 . 1 1 55 55 ILE HG22 H 1 0.9434 0.02 . 2 . . . A 130 ILE HG22 . 25796 1 627 . 1 1 55 55 ILE HG23 H 1 0.9434 0.02 . 2 . . . A 130 ILE HG23 . 25796 1 628 . 1 1 55 55 ILE HD11 H 1 0.8615 0.02 . 2 . . . A 130 ILE HD11 . 25796 1 629 . 1 1 55 55 ILE HD12 H 1 0.8615 0.02 . 2 . . . A 130 ILE HD12 . 25796 1 630 . 1 1 55 55 ILE HD13 H 1 0.8615 0.02 . 2 . . . A 130 ILE HD13 . 25796 1 631 . 1 1 55 55 ILE CA C 13 61.891 0.3 . 1 . . . A 130 ILE CA . 25796 1 632 . 1 1 55 55 ILE CB C 13 38.891 0.3 . 1 . . . A 130 ILE CB . 25796 1 633 . 1 1 55 55 ILE CG1 C 13 27.641 0.3 . 2 . . . A 130 ILE CG1 . 25796 1 634 . 1 1 55 55 ILE CG2 C 13 17.561 0.3 . 2 . . . A 130 ILE CG2 . 25796 1 635 . 1 1 55 55 ILE CD1 C 13 13.766 0.3 . 2 . . . A 130 ILE CD1 . 25796 1 636 . 1 1 55 55 ILE N N 15 122.68 0.1 . 1 . . . A 130 ILE N . 25796 1 637 . 1 1 56 56 ASP H H 1 8.636 0.02 . 1 . . . A 131 ASP H . 25796 1 638 . 1 1 56 56 ASP HA H 1 4.7248 0.02 . 1 . . . A 131 ASP HA . 25796 1 639 . 1 1 56 56 ASP HB2 H 1 2.8136 0.02 . 2 . . . A 131 ASP HB2 . 25796 1 640 . 1 1 56 56 ASP HB3 H 1 2.9502 0.02 . 2 . . . A 131 ASP HB3 . 25796 1 641 . 1 1 56 56 ASP C C 13 178.02 0.3 . 1 . . . A 131 ASP C . 25796 1 642 . 1 1 56 56 ASP CA C 13 53.727 0.3 . 1 . . . A 131 ASP CA . 25796 1 643 . 1 1 56 56 ASP CB C 13 41.422 0.3 . 1 . . . A 131 ASP CB . 25796 1 644 . 1 1 56 56 ASP N N 15 123.61 0.1 . 1 . . . A 131 ASP N . 25796 1 645 . 1 1 57 57 GLY H H 1 8.363 0.02 . 1 . . . A 132 GLY H . 25796 1 646 . 1 1 57 57 GLY HA2 H 1 3.85 0.02 . 2 . . . A 132 GLY HA2 . 25796 1 647 . 1 1 57 57 GLY HA3 H 1 3.975 0.02 . 2 . . . A 132 GLY HA3 . 25796 1 648 . 1 1 57 57 GLY C C 13 174.85 0.3 . 1 . . . A 132 GLY C . 25796 1 649 . 1 1 57 57 GLY CA C 13 46.696 0.3 . 1 . . . A 132 GLY CA . 25796 1 650 . 1 1 57 57 GLY N N 15 107.93 0.1 . 1 . . . A 132 GLY N . 25796 1 651 . 1 1 58 58 ASP H H 1 8.3903 0.02 . 1 . . . A 133 ASP H . 25796 1 652 . 1 1 58 58 ASP HA H 1 4.8068 0.02 . 1 . . . A 133 ASP HA . 25796 1 653 . 1 1 58 58 ASP HB2 H 1 2.7317 0.02 . 2 . . . A 133 ASP HB2 . 25796 1 654 . 1 1 58 58 ASP HB3 H 1 2.7317 0.02 . 2 . . . A 133 ASP HB3 . 25796 1 655 . 1 1 58 58 ASP CA C 13 53.727 0.3 . 1 . . . A 133 ASP CA . 25796 1 656 . 1 1 58 58 ASP CB C 13 41.656 0.3 . 1 . . . A 133 ASP CB . 25796 1 657 . 1 1 58 58 ASP N N 15 119.61 0.1 . 1 . . . A 133 ASP N . 25796 1 658 . 1 1 59 59 GLY HA2 H 1 3.66 0.02 . 2 . . . A 134 GLY HA2 . 25796 1 659 . 1 1 59 59 GLY HA3 H 1 4.2334 0.02 . 2 . . . A 134 GLY HA3 . 25796 1 660 . 1 1 59 59 GLY C C 13 174.41 0.3 . 1 . . . A 134 GLY C . 25796 1 661 . 1 1 59 59 GLY CA C 13 45.992 0.3 . 1 . . . A 134 GLY CA . 25796 1 662 . 1 1 60 60 GLN H H 1 8.4449 0.02 . 1 . . . A 135 GLN H . 25796 1 663 . 1 1 60 60 GLN HA H 1 4.8614 0.02 . 1 . . . A 135 GLN HA . 25796 1 664 . 1 1 60 60 GLN HB2 H 1 1.9424 0.02 . 2 . . . A 135 GLN HB2 . 25796 1 665 . 1 1 60 60 GLN HB3 H 1 2.1037 0.02 . 2 . . . A 135 GLN HB3 . 25796 1 666 . 1 1 60 60 GLN HG2 H 1 1.942 0.02 . 2 . . . A 135 GLN HG2 . 25796 1 667 . 1 1 60 60 GLN HG3 H 1 2.1311 0.02 . 2 . . . A 135 GLN HG3 . 25796 1 668 . 1 1 60 60 GLN HE21 H 1 6.4791 0.02 . 2 . . . A 135 GLN HE21 . 25796 1 669 . 1 1 60 60 GLN HE22 H 1 7.3254 0.02 . 2 . . . A 135 GLN HE22 . 25796 1 670 . 1 1 60 60 GLN C C 13 174.68 0.3 . 1 . . . A 135 GLN C . 25796 1 671 . 1 1 60 60 GLN CA C 13 54.664 0.3 . 1 . . . A 135 GLN CA . 25796 1 672 . 1 1 60 60 GLN CB C 13 30.64 0.3 . 1 . . . A 135 GLN CB . 25796 1 673 . 1 1 60 60 GLN CG C 13 33.570 0.3 . 1 . . . A 135 GLN CG . 25796 1 674 . 1 1 60 60 GLN N N 15 120.93 0.1 . 1 . . . A 135 GLN N . 25796 1 675 . 1 1 60 60 GLN NE2 N 15 110.68 0.1 . 1 . . . A 135 GLN NE2 . 25796 1 676 . 1 1 61 61 VAL H H 1 9.1957 0.02 . 1 . . . A 136 VAL H . 25796 1 677 . 1 1 61 61 VAL HA H 1 4.3153 0.02 . 1 . . . A 136 VAL HA . 25796 1 678 . 1 1 61 61 VAL HB H 1 2.1584 0.02 . 1 . . . A 136 VAL HB . 25796 1 679 . 1 1 61 61 VAL HG11 H 1 0.673 0.02 . 2 . . . A 136 VAL HG11 . 25796 1 680 . 1 1 61 61 VAL HG12 H 1 0.673 0.02 . 2 . . . A 136 VAL HG12 . 25796 1 681 . 1 1 61 61 VAL HG13 H 1 0.673 0.02 . 2 . . . A 136 VAL HG13 . 25796 1 682 . 1 1 61 61 VAL HG21 H 1 0.729 0.02 . 2 . . . A 136 VAL HG21 . 25796 1 683 . 1 1 61 61 VAL HG22 H 1 0.729 0.02 . 2 . . . A 136 VAL HG22 . 25796 1 684 . 1 1 61 61 VAL HG23 H 1 0.729 0.02 . 2 . . . A 136 VAL HG23 . 25796 1 685 . 1 1 61 61 VAL C C 13 174.68 0.3 . 1 . . . A 136 VAL C . 25796 1 686 . 1 1 61 61 VAL CA C 13 60.758 0.3 . 1 . . . A 136 VAL CA . 25796 1 687 . 1 1 61 61 VAL CB C 13 33.922 0.3 . 1 . . . A 136 VAL CB . 25796 1 688 . 1 1 61 61 VAL CG1 C 13 20.68 0.3 . 2 . . . A 136 VAL CG1 . 25796 1 689 . 1 1 61 61 VAL CG2 C 13 20.68 0.3 . 2 . . . A 136 VAL CG2 . 25796 1 690 . 1 1 61 61 VAL N N 15 120.18 0.1 . 1 . . . A 136 VAL N . 25796 1 691 . 1 1 62 62 ASN H H 1 9.0455 0.02 . 1 . . . A 137 ASN H . 25796 1 692 . 1 1 62 62 ASN HA H 1 4.4518 0.02 . 1 . . . A 137 ASN HA . 25796 1 693 . 1 1 62 62 ASN HB2 H 1 2.5406 0.02 . 2 . . . A 137 ASN HB2 . 25796 1 694 . 1 1 62 62 ASN HB3 H 1 2.9775 0.02 . 2 . . . A 137 ASN HB3 . 25796 1 695 . 1 1 62 62 ASN HD21 H 1 6.8408 0.02 . 2 . . . A 137 ASN HD21 . 25796 1 696 . 1 1 62 62 ASN HD22 H 1 7.1957 0.02 . 2 . . . A 137 ASN HD22 . 25796 1 697 . 1 1 62 62 ASN C C 13 176.16 0.3 . 1 . . . A 137 ASN C . 25796 1 698 . 1 1 62 62 ASN CA C 13 52.086 0.3 . 1 . . . A 137 ASN CA . 25796 1 699 . 1 1 62 62 ASN CB C 13 37.555 0.3 . 1 . . . A 137 ASN CB . 25796 1 700 . 1 1 62 62 ASN N N 15 126.80 0.1 . 1 . . . A 137 ASN N . 25796 1 701 . 1 1 62 62 ASN ND2 N 15 111.68 0.1 . 1 . . . A 137 ASN ND2 . 25796 1 702 . 1 1 63 63 TYR H H 1 7.3186 0.02 . 1 . . . A 138 TYR H . 25796 1 703 . 1 1 63 63 TYR HA H 1 3.9604 0.02 . 1 . . . A 138 TYR HA . 25796 1 704 . 1 1 63 63 TYR HB2 H 1 2.032 0.02 . 2 . . . A 138 TYR HB2 . 25796 1 705 . 1 1 63 63 TYR HB3 H 1 2.1038 0.02 . 2 . . . A 138 TYR HB3 . 25796 1 706 . 1 1 63 63 TYR HD1 H 1 6.582 0.02 . 2 . . . A 138 TYR HD1 . 25796 1 707 . 1 1 63 63 TYR HD2 H 1 6.582 0.02 . 2 . . . A 138 TYR HD2 . 25796 1 708 . 1 1 63 63 TYR HE1 H 1 6.7464 0.02 . 2 . . . A 138 TYR HE1 . 25796 1 709 . 1 1 63 63 TYR HE2 H 1 6.7464 0.02 . 2 . . . A 138 TYR HE2 . 25796 1 710 . 1 1 63 63 TYR C C 13 176.49 0.3 . 1 . . . A 138 TYR C . 25796 1 711 . 1 1 63 63 TYR CA C 13 59.234 0.3 . 1 . . . A 138 TYR CA . 25796 1 712 . 1 1 63 63 TYR CB C 13 37.086 0.3 . 1 . . . A 138 TYR CB . 25796 1 713 . 1 1 63 63 TYR CD1 C 13 133.42 0.3 . 2 . . . A 138 TYR CD1 . 25796 1 714 . 1 1 63 63 TYR CD2 C 13 133.42 0.3 . 2 . . . A 138 TYR CD2 . 25796 1 715 . 1 1 63 63 TYR N N 15 122.36 0.1 . 1 . . . A 138 TYR N . 25796 1 716 . 1 1 64 64 GLU H H 1 8.2537 0.02 . 1 . . . A 139 GLU H . 25796 1 717 . 1 1 64 64 GLU HA H 1 4.0423 0.02 . 1 . . . A 139 GLU HA . 25796 1 718 . 1 1 64 64 GLU HB2 H 1 1.8307 0.02 . 2 . . . A 139 GLU HB2 . 25796 1 719 . 1 1 64 64 GLU HB3 H 1 1.8307 0.02 . 2 . . . A 139 GLU HB3 . 25796 1 720 . 1 1 64 64 GLU HG2 H 1 2.1311 0.02 . 2 . . . A 139 GLU HG2 . 25796 1 721 . 1 1 64 64 GLU HG3 H 1 2.1311 0.02 . 2 . . . A 139 GLU HG3 . 25796 1 722 . 1 1 64 64 GLU C C 13 178.95 0.3 . 1 . . . A 139 GLU C . 25796 1 723 . 1 1 64 64 GLU CA C 13 59.469 0.3 . 1 . . . A 139 GLU CA . 25796 1 724 . 1 1 64 64 GLU CB C 13 28.414 0.3 . 1 . . . A 139 GLU CB . 25796 1 725 . 1 1 64 64 GLU CG C 13 35.211 0.3 . 1 . . . A 139 GLU CG . 25796 1 726 . 1 1 64 64 GLU N N 15 126.30 0.1 . 1 . . . A 139 GLU N . 25796 1 727 . 1 1 65 65 GLU H H 1 7.4756 0.02 . 1 . . . A 140 GLU H . 25796 1 728 . 1 1 65 65 GLU HA H 1 3.9877 0.02 . 1 . . . A 140 GLU HA . 25796 1 729 . 1 1 65 65 GLU HB2 H 1 1.858 0.02 . 2 . . . A 140 GLU HB2 . 25796 1 730 . 1 1 65 65 GLU HB3 H 1 1.9673 0.02 . 2 . . . A 140 GLU HB3 . 25796 1 731 . 1 1 65 65 GLU HG2 H 1 2.2676 0.02 . 2 . . . A 140 GLU HG2 . 25796 1 732 . 1 1 65 65 GLU HG3 H 1 2.2676 0.02 . 2 . . . A 140 GLU HG3 . 25796 1 733 . 1 1 65 65 GLU C C 13 179.50 0.3 . 1 . . . A 140 GLU C . 25796 1 734 . 1 1 65 65 GLU CA C 13 59.117 0.3 . 1 . . . A 140 GLU CA . 25796 1 735 . 1 1 65 65 GLU CB C 13 29.234 0.3 . 1 . . . A 140 GLU CB . 25796 1 736 . 1 1 65 65 GLU CG C 13 36.265 0.3 . 1 . . . A 140 GLU CG . 25796 1 737 . 1 1 65 65 GLU N N 15 117.24 0.1 . 1 . . . A 140 GLU N . 25796 1 738 . 1 1 66 66 PHE H H 1 7.2572 0.02 . 1 . . . A 141 PHE H . 25796 1 739 . 1 1 66 66 PHE HA H 1 4.588 0.02 . 1 . . . A 141 PHE HA . 25796 1 740 . 1 1 66 66 PHE HB2 H 1 2.9502 0.02 . 2 . . . A 141 PHE HB2 . 25796 1 741 . 1 1 66 66 PHE HB3 H 1 3.1413 0.02 . 2 . . . A 141 PHE HB3 . 25796 1 742 . 1 1 66 66 PHE HD1 H 1 7.115 0.02 . 2 . . . A 141 PHE HD1 . 25796 1 743 . 1 1 66 66 PHE HD2 H 1 7.115 0.02 . 2 . . . A 141 PHE HD2 . 25796 1 744 . 1 1 66 66 PHE HE1 H 1 7.252 0.02 . 2 . . . A 141 PHE HE1 . 25796 1 745 . 1 1 66 66 PHE HE2 H 1 7.252 0.02 . 2 . . . A 141 PHE HE2 . 25796 1 746 . 1 1 66 66 PHE HZ H 1 7.33 0.02 . 1 . . . A 141 PHE HZ . 25796 1 747 . 1 1 66 66 PHE C C 13 176.93 0.3 . 1 . . . A 141 PHE C . 25796 1 748 . 1 1 66 66 PHE CA C 13 59.352 0.3 . 1 . . . A 141 PHE CA . 25796 1 749 . 1 1 66 66 PHE CB C 13 39.312 0.3 . 1 . . . A 141 PHE CB . 25796 1 750 . 1 1 66 66 PHE CD1 C 13 130.82 0.3 . 2 . . . A 141 PHE CD1 . 25796 1 751 . 1 1 66 66 PHE CD2 C 13 130.82 0.3 . 2 . . . A 141 PHE CD2 . 25796 1 752 . 1 1 66 66 PHE N N 15 119.55 0.1 . 1 . . . A 141 PHE N . 25796 1 753 . 1 1 67 67 VAL H H 1 8.4722 0.02 . 1 . . . A 142 VAL H . 25796 1 754 . 1 1 67 67 VAL HA H 1 3.3051 0.02 . 1 . . . A 142 VAL HA . 25796 1 755 . 1 1 67 67 VAL HB H 1 2.3768 0.02 . 1 . . . A 142 VAL HB . 25796 1 756 . 1 1 67 67 VAL HG11 H 1 0.9571 0.02 . 2 . . . A 142 VAL HG11 . 25796 1 757 . 1 1 67 67 VAL HG12 H 1 0.9571 0.02 . 2 . . . A 142 VAL HG12 . 25796 1 758 . 1 1 67 67 VAL HG13 H 1 0.9571 0.02 . 2 . . . A 142 VAL HG13 . 25796 1 759 . 1 1 67 67 VAL HG21 H 1 1.1072 0.02 . 2 . . . A 142 VAL HG21 . 25796 1 760 . 1 1 67 67 VAL HG22 H 1 1.1072 0.02 . 2 . . . A 142 VAL HG22 . 25796 1 761 . 1 1 67 67 VAL HG23 H 1 1.1072 0.02 . 2 . . . A 142 VAL HG23 . 25796 1 762 . 1 1 67 67 VAL C C 13 179.00 0.3 . 1 . . . A 142 VAL C . 25796 1 763 . 1 1 67 67 VAL CA C 13 67.321 0.3 . 1 . . . A 142 VAL CA . 25796 1 764 . 1 1 67 67 VAL CB C 13 31.516 0.3 . 1 . . . A 142 VAL CB . 25796 1 765 . 1 1 67 67 VAL CG1 C 13 22.016 0.3 . 2 . . . A 142 VAL CG1 . 25796 1 766 . 1 1 67 67 VAL CG2 C 13 23.766 0.3 . 2 . . . A 142 VAL CG2 . 25796 1 767 . 1 1 67 67 VAL N N 15 119.61 0.1 . 1 . . . A 142 VAL N . 25796 1 768 . 1 1 68 68 GLN H H 1 7.9398 0.02 . 1 . . . A 143 GLN H . 25796 1 769 . 1 1 68 68 GLN HA H 1 3.8238 0.02 . 1 . . . A 143 GLN HA . 25796 1 770 . 1 1 68 68 GLN HB2 H 1 2.064 0.02 . 2 . . . A 143 GLN HB2 . 25796 1 771 . 1 1 68 68 GLN HB3 H 1 2.132 0.02 . 2 . . . A 143 GLN HB3 . 25796 1 772 . 1 1 68 68 GLN HG2 H 1 2.413 0.02 . 2 . . . A 143 GLN HG2 . 25796 1 773 . 1 1 68 68 GLN HG3 H 1 2.486 0.02 . 2 . . . A 143 GLN HG3 . 25796 1 774 . 1 1 68 68 GLN HE21 H 1 6.8886 0.02 . 2 . . . A 143 GLN HE21 . 25796 1 775 . 1 1 68 68 GLN HE22 H 1 7.735 0.02 . 2 . . . A 143 GLN HE22 . 25796 1 776 . 1 1 68 68 GLN C C 13 178.13 0.3 . 1 . . . A 143 GLN C . 25796 1 777 . 1 1 68 68 GLN CA C 13 58.766 0.3 . 1 . . . A 143 GLN CA . 25796 1 778 . 1 1 68 68 GLN CB C 13 28.179 0.3 . 1 . . . A 143 GLN CB . 25796 1 779 . 1 1 68 68 GLN CG C 13 33.804 0.3 . 1 . . . A 143 GLN CG . 25796 1 780 . 1 1 68 68 GLN N N 15 118.36 0.1 . 1 . . . A 143 GLN N . 25796 1 781 . 1 1 68 68 GLN NE2 N 15 113.30 0.1 . 1 . . . A 143 GLN NE2 . 25796 1 782 . 1 1 69 69 MET H H 1 7.7691 0.02 . 1 . . . A 144 MET H . 25796 1 783 . 1 1 69 69 MET HA H 1 4.0969 0.02 . 1 . . . A 144 MET HA . 25796 1 784 . 1 1 69 69 MET HB2 H 1 2.132 0.02 . 2 . . . A 144 MET HB2 . 25796 1 785 . 1 1 69 69 MET HB3 H 1 2.269 0.02 . 2 . . . A 144 MET HB3 . 25796 1 786 . 1 1 69 69 MET HG2 H 1 2.291 0.02 . 2 . . . A 144 MET HG2 . 25796 1 787 . 1 1 69 69 MET HG3 H 1 2.5679 0.02 . 2 . . . A 144 MET HG3 . 25796 1 788 . 1 1 69 69 MET HE1 H 1 2.0545 0.02 . 1 . . . A 144 MET HE1 . 25796 1 789 . 1 1 69 69 MET HE2 H 1 2.0545 0.02 . 1 . . . A 144 MET HE2 . 25796 1 790 . 1 1 69 69 MET HE3 H 1 2.0545 0.02 . 1 . . . A 144 MET HE3 . 25796 1 791 . 1 1 69 69 MET C C 13 178.24 0.3 . 1 . . . A 144 MET C . 25796 1 792 . 1 1 69 69 MET CA C 13 58.766 0.3 . 1 . . . A 144 MET CA . 25796 1 793 . 1 1 69 69 MET CB C 13 32.516 0.3 . 1 . . . A 144 MET CB . 25796 1 794 . 1 1 69 69 MET CG C 13 31.344 0.3 . 1 . . . A 144 MET CG . 25796 1 795 . 1 1 69 69 MET CE C 13 17.087 0.3 . 1 . . . A 144 MET CE . 25796 1 796 . 1 1 69 69 MET N N 15 118.43 0.1 . 1 . . . A 144 MET N . 25796 1 797 . 1 1 70 70 MET H H 1 7.7896 0.02 . 1 . . . A 145 MET H . 25796 1 798 . 1 1 70 70 MET HA H 1 3.7419 0.02 . 1 . . . A 145 MET HA . 25796 1 799 . 1 1 70 70 MET HB2 H 1 1.858 0.02 . 2 . . . A 145 MET HB2 . 25796 1 800 . 1 1 70 70 MET HB3 H 1 2.0219 0.02 . 2 . . . A 145 MET HB3 . 25796 1 801 . 1 1 70 70 MET HG2 H 1 1.7 0.02 . 2 . . . A 145 MET HG2 . 25796 1 802 . 1 1 70 70 MET HG3 H 1 2.177 0.02 . 2 . . . A 145 MET HG3 . 25796 1 803 . 1 1 70 70 MET HE1 H 1 1.8198 0.02 . 1 . . . A 145 MET HE1 . 25796 1 804 . 1 1 70 70 MET HE2 H 1 1.8198 0.02 . 1 . . . A 145 MET HE2 . 25796 1 805 . 1 1 70 70 MET HE3 H 1 1.8198 0.02 . 1 . . . A 145 MET HE3 . 25796 1 806 . 1 1 70 70 MET C C 13 176.82 0.3 . 1 . . . A 145 MET C . 25796 1 807 . 1 1 70 70 MET CA C 13 58.063 0.3 . 1 . . . A 145 MET CA . 25796 1 808 . 1 1 70 70 MET CB C 13 35.211 0.3 . 1 . . . A 145 MET CB . 25796 1 809 . 1 1 70 70 MET CG C 13 32.633 0.3 . 1 . . . A 145 MET CG . 25796 1 810 . 1 1 70 70 MET CE C 13 17.087 0.3 . 1 . . . A 145 MET CE . 25796 1 811 . 1 1 70 70 MET N N 15 113.05 0.1 . 1 . . . A 145 MET N . 25796 1 812 . 1 1 71 71 THR H H 1 7.4688 0.02 . 1 . . . A 146 THR H . 25796 1 813 . 1 1 71 71 THR HA H 1 4.4518 0.02 . 1 . . . A 146 THR HA . 25796 1 814 . 1 1 71 71 THR HB H 1 4.375 0.02 . 1 . . . A 146 THR HB . 25796 1 815 . 1 1 71 71 THR HG21 H 1 1.189 0.02 . 2 . . . A 146 THR HG21 . 25796 1 816 . 1 1 71 71 THR HG22 H 1 1.189 0.02 . 2 . . . A 146 THR HG22 . 25796 1 817 . 1 1 71 71 THR HG23 H 1 1.189 0.02 . 2 . . . A 146 THR HG23 . 25796 1 818 . 1 1 71 71 THR C C 13 174.19 0.3 . 1 . . . A 146 THR C . 25796 1 819 . 1 1 71 71 THR CA C 13 61.813 0.3 . 1 . . . A 146 THR CA . 25796 1 820 . 1 1 71 71 THR CB C 13 70.133 0.3 . 1 . . . A 146 THR CB . 25796 1 821 . 1 1 71 71 THR CG2 C 13 21.734 0.3 . 2 . . . A 146 THR CG2 . 25796 1 822 . 1 1 71 71 THR N N 15 107.805 0.1 . 1 . . . A 146 THR N . 25796 1 823 . 1 1 72 72 ALA H H 1 7.4074 0.02 . 1 . . . A 147 ALA H . 25796 1 824 . 1 1 72 72 ALA HA H 1 4.3426 0.02 . 1 . . . A 147 ALA HA . 25796 1 825 . 1 1 72 72 ALA HB1 H 1 1.5031 0.02 . 1 . . . A 147 ALA HB1 . 25796 1 826 . 1 1 72 72 ALA HB2 H 1 1.5031 0.02 . 1 . . . A 147 ALA HB2 . 25796 1 827 . 1 1 72 72 ALA HB3 H 1 1.5031 0.02 . 1 . . . A 147 ALA HB3 . 25796 1 828 . 1 1 72 72 ALA C C 13 177.20 0.3 . 1 . . . A 147 ALA C . 25796 1 829 . 1 1 72 72 ALA CA C 13 53.258 0.3 . 1 . . . A 147 ALA CA . 25796 1 830 . 1 1 72 72 ALA CB C 13 19.274 0.3 . 1 . . . A 147 ALA CB . 25796 1 831 . 1 1 72 72 ALA N N 15 126.30 0.1 . 1 . . . A 147 ALA N . 25796 1 832 . 1 1 73 73 LYS H H 1 8.1241 0.02 . 1 . . . A 148 LYS H . 25796 1 833 . 1 1 73 73 LYS HA H 1 4.1515 0.02 . 1 . . . A 148 LYS HA . 25796 1 834 . 1 1 73 73 LYS HB2 H 1 1.762 0.02 . 2 . . . A 148 LYS HB2 . 25796 1 835 . 1 1 73 73 LYS HB3 H 1 1.8171 0.02 . 2 . . . A 148 LYS HB3 . 25796 1 836 . 1 1 73 73 LYS HG2 H 1 1.476 0.02 . 2 . . . A 148 LYS HG2 . 25796 1 837 . 1 1 73 73 LYS HG3 H 1 1.476 0.02 . 2 . . . A 148 LYS HG3 . 25796 1 838 . 1 1 73 73 LYS HD2 H 1 1.708 0.02 . 2 . . . A 148 LYS HD2 . 25796 1 839 . 1 1 73 73 LYS HD3 H 1 1.708 0.02 . 2 . . . A 148 LYS HD3 . 25796 1 840 . 1 1 73 73 LYS HE2 H 1 3.046 0.02 . 2 . . . A 148 LYS HE2 . 25796 1 841 . 1 1 73 73 LYS HE3 H 1 3.046 0.02 . 2 . . . A 148 LYS HE3 . 25796 1 842 . 1 1 73 73 LYS C C 13 181.74 0.3 . 1 . . . A 148 LYS C . 25796 1 843 . 1 1 73 73 LYS CA C 13 57.947 0.3 . 1 . . . A 148 LYS CA . 25796 1 844 . 1 1 73 73 LYS CB C 13 33.687 0.3 . 1 . . . A 148 LYS CB . 25796 1 845 . 1 1 73 73 LYS CG C 13 25.015 0.3 . 1 . . . A 148 LYS CG . 25796 1 846 . 1 1 73 73 LYS CD C 13 29.140 0.3 . 1 . . . A 148 LYS CD . 25796 1 847 . 1 1 73 73 LYS CE C 13 42.390 0.3 . 1 . . . A 148 LYS CE . 25796 1 848 . 1 1 73 73 LYS N N 15 126.36 0.1 . 1 . . . A 148 LYS N . 25796 1 stop_ save_ save_Assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25796 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 17 '2D 1H-15N HSQC' . . . 25796 2 18 '3D HNCA' . . . 25796 2 19 '3D HN(CO)CA' . . . 25796 2 20 '3D CBCA(CO)NH' . . . 25796 2 21 '3D HNCACB' . . . 25796 2 22 '3D HNCO' . . . 25796 2 23 '3D C(CO)NH' . . . 25796 2 24 '3D C(CO)NH' . . . 25796 2 25 '3D H(CCO)NH' . . . 25796 2 29 '3D HCCH-TOCSY' . . . 25796 2 30 '3D HCCH-COSY' . . . 25796 2 31 '3D CCH-TOCSY' . . . 25796 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 27 27 GLN H H 1 8.439 0.02 . 1 . . . B 27 GLN H . 25796 2 2 . 2 2 27 27 GLN HA H 1 4.2659 0.02 . 1 . . . B 27 GLN HA . 25796 2 3 . 2 2 27 27 GLN HB2 H 1 1.986 0.02 . 2 . . . B 27 GLN HB2 . 25796 2 4 . 2 2 27 27 GLN HB3 H 1 2.09 0.02 . 2 . . . B 27 GLN HB3 . 25796 2 5 . 2 2 27 27 GLN HG2 H 1 2.3253 0.02 . 2 . . . B 27 GLN HG2 . 25796 2 6 . 2 2 27 27 GLN HG3 H 1 2.384 0.02 . 2 . . . B 27 GLN HG3 . 25796 2 7 . 2 2 27 27 GLN C C 13 175.56 0.3 . 1 . . . B 27 GLN C . 25796 2 8 . 2 2 27 27 GLN CA C 13 55.95 0.3 . 1 . . . B 27 GLN CA . 25796 2 9 . 2 2 27 27 GLN CB C 13 29.47 0.3 . 1 . . . B 27 GLN CB . 25796 2 10 . 2 2 27 27 GLN CG C 13 33.69 0.3 . 1 . . . B 27 GLN CG . 25796 2 11 . 2 2 27 27 GLN N N 15 124.23 0.1 . 1 . . . B 27 GLN N . 25796 2 12 . 2 2 28 28 GLU H H 1 8.398 0.02 . 1 . . . B 28 GLU H . 25796 2 13 . 2 2 28 28 GLU HA H 1 4.172 0.02 . 1 . . . B 28 GLU HA . 25796 2 14 . 2 2 28 28 GLU HB2 H 1 1.8574 0.02 . 2 . . . B 28 GLU HB2 . 25796 2 15 . 2 2 28 28 GLU HB3 H 1 1.8574 0.02 . 2 . . . B 28 GLU HB3 . 25796 2 16 . 2 2 28 28 GLU HG2 H 1 2.185 0.02 . 2 . . . B 28 GLU HG2 . 25796 2 17 . 2 2 28 28 GLU HG3 H 1 2.185 0.02 . 2 . . . B 28 GLU HG3 . 25796 2 18 . 2 2 28 28 GLU C C 13 175.78 0.3 . 1 . . . B 28 GLU C . 25796 2 19 . 2 2 28 28 GLU CA C 13 56.94 0.3 . 1 . . . B 28 GLU CA . 25796 2 20 . 2 2 28 28 GLU CB C 13 30.52 0.3 . 1 . . . B 28 GLU CB . 25796 2 21 . 2 2 28 28 GLU CG C 13 36.266 0.3 . 1 . . . B 28 GLU CG . 25796 2 22 . 2 2 28 28 GLU N N 15 122.92 0.1 . 1 . . . B 28 GLU N . 25796 2 23 . 2 2 29 29 GLU H H 1 8.159 0.02 . 1 . . . B 29 GLU H . 25796 2 24 . 2 2 29 29 GLU HA H 1 4.172 0.02 . 1 . . . B 29 GLU HA . 25796 2 25 . 2 2 29 29 GLU HB2 H 1 1.787 0.02 . 2 . . . B 29 GLU HB2 . 25796 2 26 . 2 2 29 29 GLU HB3 H 1 1.787 0.02 . 2 . . . B 29 GLU HB3 . 25796 2 27 . 2 2 29 29 GLU HG2 H 1 2.021 0.02 . 2 . . . B 29 GLU HG2 . 25796 2 28 . 2 2 29 29 GLU HG3 H 1 2.115 0.02 . 2 . . . B 29 GLU HG3 . 25796 2 29 . 2 2 29 29 GLU C C 13 175.67 0.3 . 1 . . . B 29 GLU C . 25796 2 30 . 2 2 29 29 GLU CA C 13 56.31 0.3 . 1 . . . B 29 GLU CA . 25796 2 31 . 2 2 29 29 GLU CB C 13 30.64 0.3 . 1 . . . B 29 GLU CB . 25796 2 32 . 2 2 29 29 GLU CG C 13 36.03 0.3 . 1 . . . B 29 GLU CG . 25796 2 33 . 2 2 29 29 GLU N N 15 121.37 0.1 . 1 . . . B 29 GLU N . 25796 2 34 . 2 2 30 30 PHE H H 1 8.188 0.02 . 1 . . . B 30 PHE H . 25796 2 35 . 2 2 30 30 PHE HA H 1 4.7802 0.02 . 1 . . . B 30 PHE HA . 25796 2 36 . 2 2 30 30 PHE HB2 H 1 2.8163 0.02 . 2 . . . B 30 PHE HB2 . 25796 2 37 . 2 2 30 30 PHE HB3 H 1 3.2138 0.02 . 2 . . . B 30 PHE HB3 . 25796 2 38 . 2 2 30 30 PHE HD1 H 1 7.013 0.02 . 2 . . . B 30 PHE HD1 . 25796 2 39 . 2 2 30 30 PHE HD2 H 1 7.013 0.02 . 2 . . . B 30 PHE HD2 . 25796 2 40 . 2 2 30 30 PHE HE1 H 1 7.03 0.02 . 2 . . . B 30 PHE HE1 . 25796 2 41 . 2 2 30 30 PHE HE2 H 1 7.03 0.02 . 2 . . . B 30 PHE HE2 . 25796 2 42 . 2 2 30 30 PHE HZ H 1 7.049 0.02 . 1 . . . B 30 PHE HZ . 25796 2 43 . 2 2 30 30 PHE CA C 13 56.77 0.3 . 1 . . . B 30 PHE CA . 25796 2 44 . 2 2 30 30 PHE CB C 13 40.38 0.3 . 1 . . . B 30 PHE CB . 25796 2 45 . 2 2 30 30 PHE CD1 C 13 131.55 0.3 . 2 . . . B 30 PHE CD1 . 25796 2 46 . 2 2 30 30 PHE CD2 C 13 131.55 0.3 . 2 . . . B 30 PHE CD2 . 25796 2 47 . 2 2 30 30 PHE CE1 C 13 130.896 0.3 . 2 . . . B 30 PHE CE1 . 25796 2 48 . 2 2 30 30 PHE CE2 C 13 130.896 0.3 . 2 . . . B 30 PHE CE2 . 25796 2 49 . 2 2 30 30 PHE N N 15 120.2 0.1 . 1 . . . B 30 PHE N . 25796 2 50 . 2 2 31 31 ASP H H 1 8.989 0.02 . 1 . . . B 31 ASP H . 25796 2 51 . 2 2 31 31 ASP HA H 1 4.733 0.02 . 1 . . . B 31 ASP HA . 25796 2 52 . 2 2 31 31 ASP HB2 H 1 2.653 0.02 . 2 . . . B 31 ASP HB2 . 25796 2 53 . 2 2 31 31 ASP HB3 H 1 2.793 0.02 . 2 . . . B 31 ASP HB3 . 25796 2 54 . 2 2 31 31 ASP C C 13 175.61 0.3 . 1 . . . B 31 ASP C . 25796 2 55 . 2 2 31 31 ASP CA C 13 54.31 0.3 . 1 . . . B 31 ASP CA . 25796 2 56 . 2 2 31 31 ASP CB C 13 40.83 0.3 . 1 . . . B 31 ASP CB . 25796 2 57 . 2 2 31 31 ASP N N 15 123.06 0.1 . 1 . . . B 31 ASP N . 25796 2 58 . 2 2 32 32 ILE H H 1 7.773 0.02 . 1 . . . B 32 ILE H . 25796 2 59 . 2 2 32 32 ILE HA H 1 4.172 0.02 . 1 . . . B 32 ILE HA . 25796 2 60 . 2 2 32 32 ILE HB H 1 1.7876 0.02 . 1 . . . B 32 ILE HB . 25796 2 61 . 2 2 32 32 ILE HG12 H 1 1.478 0.02 . 2 . . . B 32 ILE HG12 . 25796 2 62 . 2 2 32 32 ILE HG13 H 1 1.203 0.02 . 2 . . . B 32 ILE HG13 . 25796 2 63 . 2 2 32 32 ILE HG21 H 1 0.8758 0.02 . 2 . . . B 32 ILE HG21 . 25796 2 64 . 2 2 32 32 ILE HG22 H 1 0.8758 0.02 . 2 . . . B 32 ILE HG22 . 25796 2 65 . 2 2 32 32 ILE HG23 H 1 0.8758 0.02 . 2 . . . B 32 ILE HG23 . 25796 2 66 . 2 2 32 32 ILE HD11 H 1 0.829 0.02 . 2 . . . B 32 ILE HD11 . 25796 2 67 . 2 2 32 32 ILE HD12 H 1 0.829 0.02 . 2 . . . B 32 ILE HD12 . 25796 2 68 . 2 2 32 32 ILE HD13 H 1 0.829 0.02 . 2 . . . B 32 ILE HD13 . 25796 2 69 . 2 2 32 32 ILE C C 13 174.58 0.3 . 1 . . . B 32 ILE C . 25796 2 70 . 2 2 32 32 ILE CA C 13 60.17 0.3 . 1 . . . B 32 ILE CA . 25796 2 71 . 2 2 32 32 ILE CB C 13 40.25 0.3 . 1 . . . B 32 ILE CB . 25796 2 72 . 2 2 32 32 ILE CG1 C 13 28.18 0.3 . 2 . . . B 32 ILE CG1 . 25796 2 73 . 2 2 32 32 ILE CG2 C 13 18.22 0.3 . 2 . . . B 32 ILE CG2 . 25796 2 74 . 2 2 32 32 ILE CD1 C 13 14.14 0.3 . 2 . . . B 32 ILE CD1 . 25796 2 75 . 2 2 32 32 ILE N N 15 120.62 0.1 . 1 . . . B 32 ILE N . 25796 2 76 . 2 2 33 33 ASP H H 1 8.62 0.02 . 1 . . . B 33 ASP H . 25796 2 77 . 2 2 33 33 ASP HA H 1 4.733 0.02 . 1 . . . B 33 ASP HA . 25796 2 78 . 2 2 33 33 ASP HB2 H 1 2.6059 0.02 . 2 . . . B 33 ASP HB2 . 25796 2 79 . 2 2 33 33 ASP HB3 H 1 2.9332 0.02 . 2 . . . B 33 ASP HB3 . 25796 2 80 . 2 2 33 33 ASP C C 13 177.31 0.3 . 1 . . . B 33 ASP C . 25796 2 81 . 2 2 33 33 ASP CA C 13 53.25 0.3 . 1 . . . B 33 ASP CA . 25796 2 82 . 2 2 33 33 ASP CB C 13 40.25 0.3 . 1 . . . B 33 ASP CB . 25796 2 83 . 2 2 33 33 ASP N N 15 124.89 0.1 . 1 . . . B 33 ASP N . 25796 2 84 . 2 2 34 34 MET H H 1 8.796 0.02 . 1 . . . B 34 MET H . 25796 2 85 . 2 2 34 34 MET HA H 1 4.406 0.02 . 1 . . . B 34 MET HA . 25796 2 86 . 2 2 34 34 MET HB2 H 1 2.115 0.02 . 2 . . . B 34 MET HB2 . 25796 2 87 . 2 2 34 34 MET HB3 H 1 2.115 0.02 . 2 . . . B 34 MET HB3 . 25796 2 88 . 2 2 34 34 MET HG2 H 1 2.138 0.02 . 2 . . . B 34 MET HG2 . 25796 2 89 . 2 2 34 34 MET HG3 H 1 2.138 0.02 . 2 . . . B 34 MET HG3 . 25796 2 90 . 2 2 34 34 MET HE1 H 1 1.858 0.02 . 1 . . . B 34 MET HE1 . 25796 2 91 . 2 2 34 34 MET HE2 H 1 1.858 0.02 . 1 . . . B 34 MET HE2 . 25796 2 92 . 2 2 34 34 MET HE3 H 1 1.858 0.02 . 1 . . . B 34 MET HE3 . 25796 2 93 . 2 2 34 34 MET C C 13 176.77 0.3 . 1 . . . B 34 MET C . 25796 2 94 . 2 2 34 34 MET CA C 13 56.42 0.3 . 1 . . . B 34 MET CA . 25796 2 95 . 2 2 34 34 MET CB C 13 31.46 0.3 . 1 . . . B 34 MET CB . 25796 2 96 . 2 2 34 34 MET CG C 13 31.51 0.3 . 1 . . . B 34 MET CG . 25796 2 97 . 2 2 34 34 MET CE C 13 17.06 0.3 . 1 . . . B 34 MET CE . 25796 2 98 . 2 2 34 34 MET N N 15 126.1 0.1 . 1 . . . B 34 MET N . 25796 2 99 . 2 2 35 35 ASP H H 1 8.379 0.02 . 1 . . . B 35 ASP H . 25796 2 100 . 2 2 35 35 ASP HA H 1 4.7569 0.02 . 1 . . . B 35 ASP HA . 25796 2 101 . 2 2 35 35 ASP HB2 H 1 2.6293 0.02 . 2 . . . B 35 ASP HB2 . 25796 2 102 . 2 2 35 35 ASP HB3 H 1 2.8163 0.02 . 2 . . . B 35 ASP HB3 . 25796 2 103 . 2 2 35 35 ASP C C 13 176 0.3 . 1 . . . B 35 ASP C . 25796 2 104 . 2 2 35 35 ASP CA C 13 54.31 0.3 . 1 . . . B 35 ASP CA . 25796 2 105 . 2 2 35 35 ASP CB C 13 41.89 0.3 . 1 . . . B 35 ASP CB . 25796 2 106 . 2 2 35 35 ASP N N 15 117.51 0.1 . 1 . . . B 35 ASP N . 25796 2 107 . 2 2 36 36 ALA H H 1 7.136 0.02 . 1 . . . B 36 ALA H . 25796 2 108 . 2 2 36 36 ALA HA H 1 4.64 0.02 . 1 . . . B 36 ALA HA . 25796 2 109 . 2 2 36 36 ALA HB1 H 1 1.577 0.02 . 1 . . . B 36 ALA HB1 . 25796 2 110 . 2 2 36 36 ALA HB2 H 1 1.577 0.02 . 1 . . . B 36 ALA HB2 . 25796 2 111 . 2 2 36 36 ALA HB3 H 1 1.577 0.02 . 1 . . . B 36 ALA HB3 . 25796 2 112 . 2 2 36 36 ALA CA C 13 50.68 0.3 . 1 . . . B 36 ALA CA . 25796 2 113 . 2 2 36 36 ALA CB C 13 17.75 0.3 . 1 . . . B 36 ALA CB . 25796 2 114 . 2 2 36 36 ALA N N 15 124.93 0.1 . 1 . . . B 36 ALA N . 25796 2 115 . 2 2 37 37 PRO HA H 1 4.429 0.02 . 1 . . . B 37 PRO HA . 25796 2 116 . 2 2 37 37 PRO HB2 H 1 1.951 0.02 . 2 . . . B 37 PRO HB2 . 25796 2 117 . 2 2 37 37 PRO HB3 H 1 2.419 0.02 . 2 . . . B 37 PRO HB3 . 25796 2 118 . 2 2 37 37 PRO HG2 H 1 2.15 0.02 . 2 . . . B 37 PRO HG2 . 25796 2 119 . 2 2 37 37 PRO HG3 H 1 2.15 0.02 . 2 . . . B 37 PRO HG3 . 25796 2 120 . 2 2 37 37 PRO HD2 H 1 3.985 0.02 . 2 . . . B 37 PRO HD2 . 25796 2 121 . 2 2 37 37 PRO HD3 H 1 4.007 0.02 . 2 . . . B 37 PRO HD3 . 25796 2 122 . 2 2 37 37 PRO C C 13 179.06 0.3 . 1 . . . B 37 PRO C . 25796 2 123 . 2 2 37 37 PRO CA C 13 65.09 0.3 . 1 . . . B 37 PRO CA . 25796 2 124 . 2 2 37 37 PRO CB C 13 31.93 0.3 . 1 . . . B 37 PRO CB . 25796 2 125 . 2 2 37 37 PRO CG C 13 27.71 0.3 . 1 . . . B 37 PRO CG . 25796 2 126 . 2 2 37 37 PRO CD C 13 50.79 0.3 . 1 . . . B 37 PRO CD . 25796 2 127 . 2 2 38 38 GLU H H 1 9.415 0.02 . 1 . . . B 38 GLU H . 25796 2 128 . 2 2 38 38 GLU HA H 1 3.985 0.02 . 1 . . . B 38 GLU HA . 25796 2 129 . 2 2 38 38 GLU HB2 H 1 1.935 0.02 . 2 . . . B 38 GLU HB2 . 25796 2 130 . 2 2 38 38 GLU HB3 H 1 2.013 0.02 . 2 . . . B 38 GLU HB3 . 25796 2 131 . 2 2 38 38 GLU HG2 H 1 2.371 0.02 . 2 . . . B 38 GLU HG2 . 25796 2 132 . 2 2 38 38 GLU HG3 H 1 2.317 0.02 . 2 . . . B 38 GLU HG3 . 25796 2 133 . 2 2 38 38 GLU C C 13 178.63 0.3 . 1 . . . B 38 GLU C . 25796 2 134 . 2 2 38 38 GLU CA C 13 59.94 0.3 . 1 . . . B 38 GLU CA . 25796 2 135 . 2 2 38 38 GLU CB C 13 28.77 0.3 . 1 . . . B 38 GLU CB . 25796 2 136 . 2 2 38 38 GLU CG C 13 36.5 0.3 . 1 . . . B 38 GLU CG . 25796 2 137 . 2 2 38 38 GLU N N 15 116.77 0.1 . 1 . . . B 38 GLU N . 25796 2 138 . 2 2 39 39 THR H H 1 7.51 0.02 . 1 . . . B 39 THR H . 25796 2 139 . 2 2 39 39 THR HA H 1 3.7515 0.02 . 1 . . . B 39 THR HA . 25796 2 140 . 2 2 39 39 THR HB H 1 4.336 0.02 . 1 . . . B 39 THR HB . 25796 2 141 . 2 2 39 39 THR HG21 H 1 1.2031 0.02 . 2 . . . B 39 THR HG21 . 25796 2 142 . 2 2 39 39 THR HG22 H 1 1.2031 0.02 . 2 . . . B 39 THR HG22 . 25796 2 143 . 2 2 39 39 THR HG23 H 1 1.2031 0.02 . 2 . . . B 39 THR HG23 . 25796 2 144 . 2 2 39 39 THR C C 13 175.45 0.3 . 1 . . . B 39 THR C . 25796 2 145 . 2 2 39 39 THR CA C 13 65.56 0.3 . 1 . . . B 39 THR CA . 25796 2 146 . 2 2 39 39 THR CB C 13 68.14 0.3 . 1 . . . B 39 THR CB . 25796 2 147 . 2 2 39 39 THR CG2 C 13 24.19 0.3 . 2 . . . B 39 THR CG2 . 25796 2 148 . 2 2 39 39 THR N N 15 116.21 0.1 . 1 . . . B 39 THR N . 25796 2 149 . 2 2 40 40 GLU H H 1 7.16 0.02 . 1 . . . B 40 GLU H . 25796 2 150 . 2 2 40 40 GLU HA H 1 3.892 0.02 . 1 . . . B 40 GLU HA . 25796 2 151 . 2 2 40 40 GLU HB2 H 1 2.115 0.02 . 2 . . . B 40 GLU HB2 . 25796 2 152 . 2 2 40 40 GLU HB3 H 1 2.302 0.02 . 2 . . . B 40 GLU HB3 . 25796 2 153 . 2 2 40 40 GLU HG2 H 1 2.115 0.02 . 2 . . . B 40 GLU HG2 . 25796 2 154 . 2 2 40 40 GLU HG3 H 1 2.27 0.02 . 2 . . . B 40 GLU HG3 . 25796 2 155 . 2 2 40 40 GLU C C 13 177.31 0.3 . 1 . . . B 40 GLU C . 25796 2 156 . 2 2 40 40 GLU CA C 13 60.29 0.3 . 1 . . . B 40 GLU CA . 25796 2 157 . 2 2 40 40 GLU CB C 13 29.17 0.3 . 1 . . . B 40 GLU CB . 25796 2 158 . 2 2 40 40 GLU CG C 13 36.27 0.3 . 1 . . . B 40 GLU CG . 25796 2 159 . 2 2 40 40 GLU N N 15 121.84 0.1 . 1 . . . B 40 GLU N . 25796 2 160 . 2 2 41 41 ARG H H 1 8.059 0.02 . 1 . . . B 41 ARG H . 25796 2 161 . 2 2 41 41 ARG HA H 1 3.939 0.02 . 1 . . . B 41 ARG HA . 25796 2 162 . 2 2 41 41 ARG HB2 H 1 1.834 0.02 . 2 . . . B 41 ARG HB2 . 25796 2 163 . 2 2 41 41 ARG HB3 H 1 1.834 0.02 . 2 . . . B 41 ARG HB3 . 25796 2 164 . 2 2 41 41 ARG HG2 H 1 1.636 0.02 . 2 . . . B 41 ARG HG2 . 25796 2 165 . 2 2 41 41 ARG HG3 H 1 1.77 0.02 . 2 . . . B 41 ARG HG3 . 25796 2 166 . 2 2 41 41 ARG HD2 H 1 3.214 0.02 . 2 . . . B 41 ARG HD2 . 25796 2 167 . 2 2 41 41 ARG HD3 H 1 3.214 0.02 . 2 . . . B 41 ARG HD3 . 25796 2 168 . 2 2 41 41 ARG C C 13 179.28 0.3 . 1 . . . B 41 ARG C . 25796 2 169 . 2 2 41 41 ARG CA C 13 59.59 0.3 . 1 . . . B 41 ARG CA . 25796 2 170 . 2 2 41 41 ARG CB C 13 30.29 0.3 . 1 . . . B 41 ARG CB . 25796 2 171 . 2 2 41 41 ARG CG C 13 27.39 0.3 . 1 . . . B 41 ARG CG . 25796 2 172 . 2 2 41 41 ARG CD C 13 43.53 0.3 . 1 . . . B 41 ARG CD . 25796 2 173 . 2 2 41 41 ARG N N 15 117.01 0.1 . 1 . . . B 41 ARG N . 25796 2 174 . 2 2 42 42 ALA H H 1 7.703 0.02 . 1 . . . B 42 ALA H . 25796 2 175 . 2 2 42 42 ALA HA H 1 4.102 0.02 . 1 . . . B 42 ALA HA . 25796 2 176 . 2 2 42 42 ALA HB1 H 1 1.484 0.02 . 1 . . . B 42 ALA HB1 . 25796 2 177 . 2 2 42 42 ALA HB2 H 1 1.484 0.02 . 1 . . . B 42 ALA HB2 . 25796 2 178 . 2 2 42 42 ALA HB3 H 1 1.484 0.02 . 1 . . . B 42 ALA HB3 . 25796 2 179 . 2 2 42 42 ALA C C 13 178.84 0.3 . 1 . . . B 42 ALA C . 25796 2 180 . 2 2 42 42 ALA CA C 13 54.9 0.3 . 1 . . . B 42 ALA CA . 25796 2 181 . 2 2 42 42 ALA CB C 13 19.04 0.3 . 1 . . . B 42 ALA CB . 25796 2 182 . 2 2 42 42 ALA N N 15 122.4 0.1 . 1 . . . B 42 ALA N . 25796 2 183 . 2 2 43 43 ALA H H 1 8.018 0.02 . 1 . . . B 43 ALA H . 25796 2 184 . 2 2 43 43 ALA HA H 1 3.658 0.02 . 1 . . . B 43 ALA HA . 25796 2 185 . 2 2 43 43 ALA HB1 H 1 1.297 0.02 . 1 . . . B 43 ALA HB1 . 25796 2 186 . 2 2 43 43 ALA HB2 H 1 1.297 0.02 . 1 . . . B 43 ALA HB2 . 25796 2 187 . 2 2 43 43 ALA HB3 H 1 1.297 0.02 . 1 . . . B 43 ALA HB3 . 25796 2 188 . 2 2 43 43 ALA C C 13 178.74 0.3 . 1 . . . B 43 ALA C . 25796 2 189 . 2 2 43 43 ALA CA C 13 55.95 0.3 . 1 . . . B 43 ALA CA . 25796 2 190 . 2 2 43 43 ALA CB C 13 17.87 0.3 . 1 . . . B 43 ALA CB . 25796 2 191 . 2 2 43 43 ALA N N 15 118.98 0.1 . 1 . . . B 43 ALA N . 25796 2 192 . 2 2 44 44 VAL H H 1 8.258 0.02 . 1 . . . B 44 VAL H . 25796 2 193 . 2 2 44 44 VAL HA H 1 4.195 0.02 . 1 . . . B 44 VAL HA . 25796 2 194 . 2 2 44 44 VAL HB H 1 2.068 0.02 . 1 . . . B 44 VAL HB . 25796 2 195 . 2 2 44 44 VAL HG11 H 1 0.9693 0.02 . 2 . . . B 44 VAL HG11 . 25796 2 196 . 2 2 44 44 VAL HG12 H 1 0.9693 0.02 . 2 . . . B 44 VAL HG12 . 25796 2 197 . 2 2 44 44 VAL HG13 H 1 0.9693 0.02 . 2 . . . B 44 VAL HG13 . 25796 2 198 . 2 2 44 44 VAL HG21 H 1 1.156 0.02 . 2 . . . B 44 VAL HG21 . 25796 2 199 . 2 2 44 44 VAL HG22 H 1 1.156 0.02 . 2 . . . B 44 VAL HG22 . 25796 2 200 . 2 2 44 44 VAL HG23 H 1 1.156 0.02 . 2 . . . B 44 VAL HG23 . 25796 2 201 . 2 2 44 44 VAL C C 13 179.28 0.3 . 1 . . . B 44 VAL C . 25796 2 202 . 2 2 44 44 VAL CA C 13 65.68 0.3 . 1 . . . B 44 VAL CA . 25796 2 203 . 2 2 44 44 VAL CB C 13 32.016 0.3 . 1 . . . B 44 VAL CB . 25796 2 204 . 2 2 44 44 VAL CG1 C 13 21.27 0.3 . 2 . . . B 44 VAL CG1 . 25796 2 205 . 2 2 44 44 VAL CG2 C 13 23.89 0.3 . 2 . . . B 44 VAL CG2 . 25796 2 206 . 2 2 44 44 VAL N N 15 116.73 0.1 . 1 . . . B 44 VAL N . 25796 2 207 . 2 2 45 45 ALA H H 1 7.89 0.02 . 1 . . . B 45 ALA H . 25796 2 208 . 2 2 45 45 ALA HA H 1 4.126 0.02 . 1 . . . B 45 ALA HA . 25796 2 209 . 2 2 45 45 ALA HB1 H 1 1.413 0.02 . 1 . . . B 45 ALA HB1 . 25796 2 210 . 2 2 45 45 ALA HB2 H 1 1.413 0.02 . 1 . . . B 45 ALA HB2 . 25796 2 211 . 2 2 45 45 ALA HB3 H 1 1.413 0.02 . 1 . . . B 45 ALA HB3 . 25796 2 212 . 2 2 45 45 ALA C C 13 180.59 0.3 . 1 . . . B 45 ALA C . 25796 2 213 . 2 2 45 45 ALA CA C 13 55.48 0.3 . 1 . . . B 45 ALA CA . 25796 2 214 . 2 2 45 45 ALA CB C 13 17.75 0.3 . 1 . . . B 45 ALA CB . 25796 2 215 . 2 2 45 45 ALA N N 15 123.95 0.1 . 1 . . . B 45 ALA N . 25796 2 216 . 2 2 46 46 ILE H H 1 7.656 0.02 . 1 . . . B 46 ILE H . 25796 2 217 . 2 2 46 46 ILE HA H 1 3.354 0.02 . 1 . . . B 46 ILE HA . 25796 2 218 . 2 2 46 46 ILE HB H 1 1.554 0.02 . 1 . . . B 46 ILE HB . 25796 2 219 . 2 2 46 46 ILE HG12 H 1 0.1044 0.02 . 2 . . . B 46 ILE HG12 . 25796 2 220 . 2 2 46 46 ILE HG13 H 1 0.1044 0.02 . 2 . . . B 46 ILE HG13 . 25796 2 221 . 2 2 46 46 ILE HG21 H 1 0.6653 0.02 . 2 . . . B 46 ILE HG21 . 25796 2 222 . 2 2 46 46 ILE HG22 H 1 0.6653 0.02 . 2 . . . B 46 ILE HG22 . 25796 2 223 . 2 2 46 46 ILE HG23 H 1 0.6653 0.02 . 2 . . . B 46 ILE HG23 . 25796 2 224 . 2 2 46 46 ILE HD11 H 1 -0.1296 0.02 . 2 . . . B 46 ILE HD11 . 25796 2 225 . 2 2 46 46 ILE HD12 H 1 -0.1296 0.02 . 2 . . . B 46 ILE HD12 . 25796 2 226 . 2 2 46 46 ILE HD13 H 1 -0.1296 0.02 . 2 . . . B 46 ILE HD13 . 25796 2 227 . 2 2 46 46 ILE C C 13 177.86 0.3 . 1 . . . B 46 ILE C . 25796 2 228 . 2 2 46 46 ILE CA C 13 65.91 0.3 . 1 . . . B 46 ILE CA . 25796 2 229 . 2 2 46 46 ILE CB C 13 38.96 0.3 . 1 . . . B 46 ILE CB . 25796 2 230 . 2 2 46 46 ILE CG1 C 13 29.52 0.3 . 2 . . . B 46 ILE CG1 . 25796 2 231 . 2 2 46 46 ILE CG2 C 13 18.39 0.3 . 2 . . . B 46 ILE CG2 . 25796 2 232 . 2 2 46 46 ILE CD1 C 13 12.89 0.3 . 2 . . . B 46 ILE CD1 . 25796 2 233 . 2 2 46 46 ILE N N 15 118.32 0.1 . 1 . . . B 46 ILE N . 25796 2 234 . 2 2 47 47 GLN H H 1 8.989 0.02 . 1 . . . B 47 GLN H . 25796 2 235 . 2 2 47 47 GLN HA H 1 3.775 0.02 . 1 . . . B 47 GLN HA . 25796 2 236 . 2 2 47 47 GLN HB2 H 1 1.928 0.02 . 2 . . . B 47 GLN HB2 . 25796 2 237 . 2 2 47 47 GLN HB3 H 1 2.606 0.02 . 2 . . . B 47 GLN HB3 . 25796 2 238 . 2 2 47 47 GLN HG2 H 1 2.254 0.02 . 2 . . . B 47 GLN HG2 . 25796 2 239 . 2 2 47 47 GLN HG3 H 1 2.618 0.02 . 2 . . . B 47 GLN HG3 . 25796 2 240 . 2 2 47 47 GLN HE21 H 1 6.317 0.02 . 2 . . . B 47 GLN HE21 . 25796 2 241 . 2 2 47 47 GLN HE22 H 1 7.72 0.02 . 2 . . . B 47 GLN HE22 . 25796 2 242 . 2 2 47 47 GLN C C 13 178.63 0.3 . 1 . . . B 47 GLN C . 25796 2 243 . 2 2 47 47 GLN CA C 13 59.94 0.3 . 1 . . . B 47 GLN CA . 25796 2 244 . 2 2 47 47 GLN CB C 13 27.48 0.3 . 1 . . . B 47 GLN CB . 25796 2 245 . 2 2 47 47 GLN CG C 13 34.98 0.3 . 1 . . . B 47 GLN CG . 25796 2 246 . 2 2 47 47 GLN N N 15 119.59 0.1 . 1 . . . B 47 GLN N . 25796 2 247 . 2 2 47 47 GLN NE2 N 15 106.31 0.1 . 1 . . . B 47 GLN NE2 . 25796 2 248 . 2 2 48 48 SER H H 1 8.772 0.02 . 1 . . . B 48 SER H . 25796 2 249 . 2 2 48 48 SER HA H 1 4.289 0.02 . 1 . . . B 48 SER HA . 25796 2 250 . 2 2 48 48 SER HB2 H 1 4 0.02 . 2 . . . B 48 SER HB2 . 25796 2 251 . 2 2 48 48 SER HB3 H 1 4.032 0.02 . 2 . . . B 48 SER HB3 . 25796 2 252 . 2 2 48 48 SER C C 13 177.86 0.3 . 1 . . . B 48 SER C . 25796 2 253 . 2 2 48 48 SER CA C 13 61.7 0.3 . 1 . . . B 48 SER CA . 25796 2 254 . 2 2 48 48 SER CB C 13 62.46 0.3 . 1 . . . B 48 SER CB . 25796 2 255 . 2 2 48 48 SER N N 15 112.79 0.1 . 1 . . . B 48 SER N . 25796 2 256 . 2 2 49 49 GLN H H 1 7.819 0.02 . 1 . . . B 49 GLN H . 25796 2 257 . 2 2 49 49 GLN HA H 1 4.126 0.02 . 1 . . . B 49 GLN HA . 25796 2 258 . 2 2 49 49 GLN HB2 H 1 2.11 0.02 . 2 . . . B 49 GLN HB2 . 25796 2 259 . 2 2 49 49 GLN HB3 H 1 2.29 0.02 . 2 . . . B 49 GLN HB3 . 25796 2 260 . 2 2 49 49 GLN HG2 H 1 2.359 0.02 . 2 . . . B 49 GLN HG2 . 25796 2 261 . 2 2 49 49 GLN HG3 H 1 2.489 0.02 . 2 . . . B 49 GLN HG3 . 25796 2 262 . 2 2 49 49 GLN HE21 H 1 7.25 0.02 . 2 . . . B 49 GLN HE21 . 25796 2 263 . 2 2 49 49 GLN HE22 H 1 7.25 0.02 . 2 . . . B 49 GLN HE22 . 25796 2 264 . 2 2 49 49 GLN C C 13 178.19 0.3 . 1 . . . B 49 GLN C . 25796 2 265 . 2 2 49 49 GLN CA C 13 58.29 0.3 . 1 . . . B 49 GLN CA . 25796 2 266 . 2 2 49 49 GLN CB C 13 27.71 0.3 . 1 . . . B 49 GLN CB . 25796 2 267 . 2 2 49 49 GLN CG C 13 33.57 0.3 . 1 . . . B 49 GLN CG . 25796 2 268 . 2 2 49 49 GLN N N 15 121.79 0.1 . 1 . . . B 49 GLN N . 25796 2 269 . 2 2 49 49 GLN NE2 N 15 112.10 0.1 . 1 . . . B 49 GLN NE2 . 25796 2 270 . 2 2 50 50 PHE H H 1 9.146 0.02 . 1 . . . B 50 PHE H . 25796 2 271 . 2 2 50 50 PHE HA H 1 4.523 0.02 . 1 . . . B 50 PHE HA . 25796 2 272 . 2 2 50 50 PHE HB2 H 1 3.19 0.02 . 2 . . . B 50 PHE HB2 . 25796 2 273 . 2 2 50 50 PHE HB3 H 1 3.24 0.02 . 2 . . . B 50 PHE HB3 . 25796 2 274 . 2 2 50 50 PHE HD1 H 1 7.246 0.02 . 2 . . . B 50 PHE HD1 . 25796 2 275 . 2 2 50 50 PHE HD2 H 1 7.246 0.02 . 2 . . . B 50 PHE HD2 . 25796 2 276 . 2 2 50 50 PHE HE1 H 1 7.327 0.02 . 2 . . . B 50 PHE HE1 . 25796 2 277 . 2 2 50 50 PHE HE2 H 1 7.327 0.02 . 2 . . . B 50 PHE HE2 . 25796 2 278 . 2 2 50 50 PHE HZ H 1 7.293 0.02 . 1 . . . B 50 PHE HZ . 25796 2 279 . 2 2 50 50 PHE C C 13 177.31 0.3 . 1 . . . B 50 PHE C . 25796 2 280 . 2 2 50 50 PHE CA C 13 62.17 0.3 . 1 . . . B 50 PHE CA . 25796 2 281 . 2 2 50 50 PHE CB C 13 38.96 0.3 . 1 . . . B 50 PHE CB . 25796 2 282 . 2 2 50 50 PHE N N 15 121.79 0.1 . 1 . . . B 50 PHE N . 25796 2 283 . 2 2 51 51 ARG H H 1 8.509 0.02 . 1 . . . B 51 ARG H . 25796 2 284 . 2 2 51 51 ARG HA H 1 3.892 0.02 . 1 . . . B 51 ARG HA . 25796 2 285 . 2 2 51 51 ARG HB2 H 1 1.7527 0.02 . 2 . . . B 51 ARG HB2 . 25796 2 286 . 2 2 51 51 ARG HB3 H 1 1.96 0.02 . 2 . . . B 51 ARG HB3 . 25796 2 287 . 2 2 51 51 ARG HG2 H 1 1.747 0.02 . 2 . . . B 51 ARG HG2 . 25796 2 288 . 2 2 51 51 ARG HG3 H 1 1.747 0.02 . 2 . . . B 51 ARG HG3 . 25796 2 289 . 2 2 51 51 ARG HD2 H 1 3.14 0.02 . 2 . . . B 51 ARG HD2 . 25796 2 290 . 2 2 51 51 ARG HD3 H 1 3.14 0.02 . 2 . . . B 51 ARG HD3 . 25796 2 291 . 2 2 51 51 ARG C C 13 178.63 0.3 . 1 . . . B 51 ARG C . 25796 2 292 . 2 2 51 51 ARG CA C 13 60.41 0.3 . 1 . . . B 51 ARG CA . 25796 2 293 . 2 2 51 51 ARG CB C 13 29.59 0.3 . 1 . . . B 51 ARG CB . 25796 2 294 . 2 2 51 51 ARG N N 15 118.56 0.1 . 1 . . . B 51 ARG N . 25796 2 295 . 2 2 52 52 LYS H H 1 7.761 0.02 . 1 . . . B 52 LYS H . 25796 2 296 . 2 2 52 52 LYS HA H 1 4.03 0.02 . 1 . . . B 52 LYS HA . 25796 2 297 . 2 2 52 52 LYS HB2 H 1 1.648 0.02 . 2 . . . B 52 LYS HB2 . 25796 2 298 . 2 2 52 52 LYS HB3 H 1 1.963 0.02 . 2 . . . B 52 LYS HB3 . 25796 2 299 . 2 2 52 52 LYS C C 13 179.72 0.3 . 1 . . . B 52 LYS C . 25796 2 300 . 2 2 52 52 LYS CA C 13 58.65 0.3 . 1 . . . B 52 LYS CA . 25796 2 301 . 2 2 52 52 LYS CB C 13 32.28 0.3 . 1 . . . B 52 LYS CB . 25796 2 302 . 2 2 52 52 LYS N N 15 120.53 0.1 . 1 . . . B 52 LYS N . 25796 2 303 . 2 2 53 53 PHE H H 1 7.761 0.02 . 1 . . . B 53 PHE H . 25796 2 304 . 2 2 53 53 PHE HA H 1 4.406 0.02 . 1 . . . B 53 PHE HA . 25796 2 305 . 2 2 53 53 PHE HB2 H 1 3.43 0.02 . 2 . . . B 53 PHE HB2 . 25796 2 306 . 2 2 53 53 PHE HB3 H 1 3.47 0.02 . 2 . . . B 53 PHE HB3 . 25796 2 307 . 2 2 53 53 PHE HD1 H 1 7.267 0.02 . 2 . . . B 53 PHE HD1 . 25796 2 308 . 2 2 53 53 PHE HD2 H 1 7.267 0.02 . 2 . . . B 53 PHE HD2 . 25796 2 309 . 2 2 53 53 PHE HE1 H 1 7.267 0.02 . 2 . . . B 53 PHE HE1 . 25796 2 310 . 2 2 53 53 PHE HE2 H 1 7.267 0.02 . 2 . . . B 53 PHE HE2 . 25796 2 311 . 2 2 53 53 PHE HZ H 1 7.267 0.02 . 1 . . . B 53 PHE HZ . 25796 2 312 . 2 2 53 53 PHE C C 13 177.2 0.3 . 1 . . . B 53 PHE C . 25796 2 313 . 2 2 53 53 PHE CA C 13 60.29 0.3 . 1 . . . B 53 PHE CA . 25796 2 314 . 2 2 53 53 PHE CB C 13 39.08 0.3 . 1 . . . B 53 PHE CB . 25796 2 315 . 2 2 53 53 PHE N N 15 120.53 0.1 . 1 . . . B 53 PHE N . 25796 2 316 . 2 2 54 54 GLN H H 1 8.463 0.02 . 1 . . . B 54 GLN H . 25796 2 317 . 2 2 54 54 GLN HA H 1 3.471 0.02 . 1 . . . B 54 GLN HA . 25796 2 318 . 2 2 54 54 GLN HB2 H 1 1.834 0.02 . 2 . . . B 54 GLN HB2 . 25796 2 319 . 2 2 54 54 GLN HB3 H 1 1.95 0.02 . 2 . . . B 54 GLN HB3 . 25796 2 320 . 2 2 54 54 GLN HG2 H 1 1.671 0.02 . 2 . . . B 54 GLN HG2 . 25796 2 321 . 2 2 54 54 GLN HG3 H 1 1.811 0.02 . 2 . . . B 54 GLN HG3 . 25796 2 322 . 2 2 54 54 GLN HE21 H 1 7.15 0.02 . 2 . . . B 54 GLN HE21 . 25796 2 323 . 2 2 54 54 GLN HE22 H 1 7.62 0.02 . 2 . . . B 54 GLN HE22 . 25796 2 324 . 2 2 54 54 GLN C C 13 178.84 0.3 . 1 . . . B 54 GLN C . 25796 2 325 . 2 2 54 54 GLN CA C 13 58.53 0.3 . 1 . . . B 54 GLN CA . 25796 2 326 . 2 2 54 54 GLN CB C 13 29.47 0.3 . 1 . . . B 54 GLN CB . 25796 2 327 . 2 2 54 54 GLN CG C 13 34.51 0.3 . 1 . . . B 54 GLN CG . 25796 2 328 . 2 2 54 54 GLN N N 15 118.28 0.1 . 1 . . . B 54 GLN N . 25796 2 329 . 2 2 54 54 GLN NE2 N 15 113.32 0.1 . 1 . . . B 54 GLN NE2 . 25796 2 330 . 2 2 55 55 LYS H H 1 7.598 0.02 . 1 . . . B 55 LYS H . 25796 2 331 . 2 2 55 55 LYS HA H 1 4.032 0.02 . 1 . . . B 55 LYS HA . 25796 2 332 . 2 2 55 55 LYS HB2 H 1 1.881 0.02 . 2 . . . B 55 LYS HB2 . 25796 2 333 . 2 2 55 55 LYS HB3 H 1 1.881 0.02 . 2 . . . B 55 LYS HB3 . 25796 2 334 . 2 2 55 55 LYS HG2 H 1 1.425 0.02 . 2 . . . B 55 LYS HG2 . 25796 2 335 . 2 2 55 55 LYS HG3 H 1 1.554 0.02 . 2 . . . B 55 LYS HG3 . 25796 2 336 . 2 2 55 55 LYS HD2 H 1 1.659 0.02 . 2 . . . B 55 LYS HD2 . 25796 2 337 . 2 2 55 55 LYS HD3 H 1 1.659 0.02 . 2 . . . B 55 LYS HD3 . 25796 2 338 . 2 2 55 55 LYS HE2 H 1 2.968 0.02 . 2 . . . B 55 LYS HE2 . 25796 2 339 . 2 2 55 55 LYS HE3 H 1 2.968 0.02 . 2 . . . B 55 LYS HE3 . 25796 2 340 . 2 2 55 55 LYS C C 13 178.63 0.3 . 1 . . . B 55 LYS C . 25796 2 341 . 2 2 55 55 LYS CA C 13 58.65 0.3 . 1 . . . B 55 LYS CA . 25796 2 342 . 2 2 55 55 LYS CB C 13 32.28 0.3 . 1 . . . B 55 LYS CB . 25796 2 343 . 2 2 55 55 LYS CG C 13 25.01 0.3 . 1 . . . B 55 LYS CG . 25796 2 344 . 2 2 55 55 LYS CD C 13 29.39 0.3 . 1 . . . B 55 LYS CD . 25796 2 345 . 2 2 55 55 LYS CE C 13 42.14 0.3 . 1 . . . B 55 LYS CE . 25796 2 346 . 2 2 55 55 LYS N N 15 118.98 0.1 . 1 . . . B 55 LYS N . 25796 2 347 . 2 2 56 56 LYS H H 1 7.76 0.02 . 1 . . . B 56 LYS H . 25796 2 348 . 2 2 56 56 LYS HA H 1 4.032 0.02 . 1 . . . B 56 LYS HA . 25796 2 349 . 2 2 56 56 LYS HB2 H 1 1.881 0.02 . 2 . . . B 56 LYS HB2 . 25796 2 350 . 2 2 56 56 LYS HB3 H 1 1.881 0.02 . 2 . . . B 56 LYS HB3 . 25796 2 351 . 2 2 56 56 LYS C C 13 178.84 0.3 . 1 . . . B 56 LYS C . 25796 2 352 . 2 2 56 56 LYS CA C 13 58.41 0.3 . 1 . . . B 56 LYS CA . 25796 2 353 . 2 2 56 56 LYS CB C 13 32.28 0.3 . 1 . . . B 56 LYS CB . 25796 2 354 . 2 2 56 56 LYS N N 15 120.53 0.1 . 1 . . . B 56 LYS N . 25796 2 355 . 2 2 57 57 LYS H H 1 7.855 0.02 . 1 . . . B 57 LYS H . 25796 2 356 . 2 2 57 57 LYS HA H 1 3.985 0.02 . 1 . . . B 57 LYS HA . 25796 2 357 . 2 2 57 57 LYS HB2 H 1 1.508 0.02 . 2 . . . B 57 LYS HB2 . 25796 2 358 . 2 2 57 57 LYS HB3 H 1 1.578 0.02 . 2 . . . B 57 LYS HB3 . 25796 2 359 . 2 2 57 57 LYS HG2 H 1 1.18 0.02 . 2 . . . B 57 LYS HG2 . 25796 2 360 . 2 2 57 57 LYS HG3 H 1 1.18 0.02 . 2 . . . B 57 LYS HG3 . 25796 2 361 . 2 2 57 57 LYS HD2 H 1 1.425 0.02 . 2 . . . B 57 LYS HD2 . 25796 2 362 . 2 2 57 57 LYS HD3 H 1 1.425 0.02 . 2 . . . B 57 LYS HD3 . 25796 2 363 . 2 2 57 57 LYS HE2 H 1 2.781 0.02 . 2 . . . B 57 LYS HE2 . 25796 2 364 . 2 2 57 57 LYS HE3 H 1 2.781 0.02 . 2 . . . B 57 LYS HE3 . 25796 2 365 . 2 2 57 57 LYS C C 13 175.45 0.3 . 1 . . . B 57 LYS C . 25796 2 366 . 2 2 57 57 LYS CA C 13 57.94 0.3 . 1 . . . B 57 LYS CA . 25796 2 367 . 2 2 57 57 LYS CB C 13 32.28 0.3 . 1 . . . B 57 LYS CB . 25796 2 368 . 2 2 57 57 LYS CG C 13 24.54 0.3 . 1 . . . B 57 LYS CG . 25796 2 369 . 2 2 57 57 LYS CD C 13 29.14 0.3 . 1 . . . B 57 LYS CD . 25796 2 370 . 2 2 57 57 LYS CE C 13 42.016 0.3 . 1 . . . B 57 LYS CE . 25796 2 371 . 2 2 57 57 LYS N N 15 119.73 0.1 . 1 . . . B 57 LYS N . 25796 2 372 . 2 2 58 58 ALA H H 1 7.703 0.02 . 1 . . . B 58 ALA H . 25796 2 373 . 2 2 58 58 ALA HA H 1 4.219 0.02 . 1 . . . B 58 ALA HA . 25796 2 374 . 2 2 58 58 ALA HB1 H 1 1.414 0.02 . 1 . . . B 58 ALA HB1 . 25796 2 375 . 2 2 58 58 ALA HB2 H 1 1.414 0.02 . 1 . . . B 58 ALA HB2 . 25796 2 376 . 2 2 58 58 ALA HB3 H 1 1.414 0.02 . 1 . . . B 58 ALA HB3 . 25796 2 377 . 2 2 58 58 ALA C C 13 178.73 0.3 . 1 . . . B 58 ALA C . 25796 2 378 . 2 2 58 58 ALA CA C 13 53.26 0.3 . 1 . . . B 58 ALA CA . 25796 2 379 . 2 2 58 58 ALA CB C 13 18.8 0.3 . 1 . . . B 58 ALA CB . 25796 2 380 . 2 2 58 58 ALA N N 15 121.79 0.1 . 1 . . . B 58 ALA N . 25796 2 381 . 2 2 59 59 GLY H H 1 7.936 0.02 . 1 . . . B 59 GLY H . 25796 2 382 . 2 2 59 59 GLY HA2 H 1 3.985 0.02 . 2 . . . B 59 GLY HA2 . 25796 2 383 . 2 2 59 59 GLY HA3 H 1 3.985 0.02 . 2 . . . B 59 GLY HA3 . 25796 2 384 . 2 2 59 59 GLY C C 13 174.47 0.3 . 1 . . . B 59 GLY C . 25796 2 385 . 2 2 59 59 GLY CA C 13 45.52 0.3 . 1 . . . B 59 GLY CA . 25796 2 386 . 2 2 59 59 GLY N N 15 106.56 0.1 . 1 . . . B 59 GLY N . 25796 2 387 . 2 2 60 60 SER H H 1 8.048 0.02 . 1 . . . B 60 SER H . 25796 2 388 . 2 2 60 60 SER HA H 1 4.476 0.02 . 1 . . . B 60 SER HA . 25796 2 389 . 2 2 60 60 SER HB2 H 1 3.892 0.02 . 2 . . . B 60 SER HB2 . 25796 2 390 . 2 2 60 60 SER HB3 H 1 3.892 0.02 . 2 . . . B 60 SER HB3 . 25796 2 391 . 2 2 60 60 SER C C 13 174.57 0.3 . 1 . . . B 60 SER C . 25796 2 392 . 2 2 60 60 SER CA C 13 58.53 0.3 . 1 . . . B 60 SER CA . 25796 2 393 . 2 2 60 60 SER CB C 13 63.93 0.3 . 1 . . . B 60 SER CB . 25796 2 394 . 2 2 60 60 SER N N 15 115.32 0.1 . 1 . . . B 60 SER N . 25796 2 395 . 2 2 61 61 GLN H H 1 8.404 0.02 . 1 . . . B 61 GLN H . 25796 2 396 . 2 2 61 61 GLN HA H 1 4.429 0.02 . 1 . . . B 61 GLN HA . 25796 2 397 . 2 2 61 61 GLN HB2 H 1 1.998 0.02 . 2 . . . B 61 GLN HB2 . 25796 2 398 . 2 2 61 61 GLN HB3 H 1 2.208 0.02 . 2 . . . B 61 GLN HB3 . 25796 2 399 . 2 2 61 61 GLN HG2 H 1 2.395 0.02 . 2 . . . B 61 GLN HG2 . 25796 2 400 . 2 2 61 61 GLN HG3 H 1 2.395 0.02 . 2 . . . B 61 GLN HG3 . 25796 2 401 . 2 2 61 61 GLN C C 13 175.23 0.3 . 1 . . . B 61 GLN C . 25796 2 402 . 2 2 61 61 GLN CA C 13 55.95 0.3 . 1 . . . B 61 GLN CA . 25796 2 403 . 2 2 61 61 GLN CB C 13 29.58 0.3 . 1 . . . B 61 GLN CB . 25796 2 404 . 2 2 62 62 SER H H 1 8.007 0.02 . 1 . . . B 62 SER H . 25796 2 405 . 2 2 62 62 SER HA H 1 4.265 0.02 . 1 . . . B 62 SER HA . 25796 2 406 . 2 2 62 62 SER HB2 H 1 3.845 0.02 . 2 . . . B 62 SER HB2 . 25796 2 407 . 2 2 62 62 SER HB3 H 1 3.845 0.02 . 2 . . . B 62 SER HB3 . 25796 2 408 . 2 2 62 62 SER CA C 13 60.17 0.3 . 1 . . . B 62 SER CA . 25796 2 409 . 2 2 62 62 SER CB C 13 64.86 0.3 . 1 . . . B 62 SER CB . 25796 2 410 . 2 2 62 62 SER N N 15 122.73 0.1 . 1 . . . B 62 SER N . 25796 2 stop_ save_