data_25241 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25241 _Entry.Title ; The N-domain of the AAA metalloproteinase Yme1 from Saccharomyces cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-22 _Entry.Accession_date 2014-09-22 _Entry.Last_release_date 2016-09-22 _Entry.Original_release_date 2016-09-22 _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 Franka Scharfenberg . . . . 25241 2 Justyna Serek-Heuberger . . . . 25241 3 Joerg Martin . . . . 25241 4 Andrei Lupas . N. . . 25241 5 Murray Coles . . . . 25241 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' . 25241 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'AAA ATPase' . 25241 metalloprotease . 25241 'substrate recognition domain' . 25241 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25241 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 318 25241 '15N chemical shifts' 56 25241 '1H chemical shifts' 512 25241 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-09-13 2014-09-22 update BMRB 'update entry citation' 25241 1 . . 2015-01-26 2014-09-22 original author 'original release' 25241 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MV3 'BMRB Entry Tracking System' 25241 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25241 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25576874 _Citation.Full_citation . _Citation.Title ; Structure and Evolution of N-domains in AAA Metalloproteases ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 427 _Citation.Journal_issue 4 _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 910 _Citation.Page_last 923 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Franka Scharfenberg . . . . 25241 1 2 Justyna Serek-Heuberger . . . . 25241 1 3 Murray Coles . . . . 25241 1 4 Marcus Hartmann . D. . . 25241 1 5 Michael Habeck . . . . 25241 1 6 Joerg Martin . . . . 25241 1 7 Andrei Lupas . N. . . 25241 1 8 Vikram Alva . . . . 25241 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25241 _Assembly.ID 1 _Assembly.Name 'N-domain of the AAA metalloproteinase Yme1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Yme1-N 1 $Yme1-N A . yes native no no . . . 25241 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yme1-N _Entity.Sf_category entity _Entity.Sf_framecode Yme1-N _Entity.Entry_ID 25241 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Yme1-N _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 ; MVAVSHAMLATREQEANKDL TSPDAQAAFYKLLLQSNYPQ YVVSRFETPGIASSPECMEL YMEALQRIGRHSEADAVRQN LEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues E177-H183 are a non-native affinity tag, residue M96 is a cloning artefact' _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10056.332 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes NCBI NP_015349.1 . . . . . . . . . . . . . . . . 25241 1 stop_ 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 96 MET . 25241 1 2 97 VAL . 25241 1 3 98 ALA . 25241 1 4 99 VAL . 25241 1 5 100 SER . 25241 1 6 101 HIS . 25241 1 7 102 ALA . 25241 1 8 103 MET . 25241 1 9 104 LEU . 25241 1 10 105 ALA . 25241 1 11 106 THR . 25241 1 12 107 ARG . 25241 1 13 108 GLU . 25241 1 14 109 GLN . 25241 1 15 110 GLU . 25241 1 16 111 ALA . 25241 1 17 112 ASN . 25241 1 18 113 LYS . 25241 1 19 114 ASP . 25241 1 20 115 LEU . 25241 1 21 116 THR . 25241 1 22 117 SER . 25241 1 23 118 PRO . 25241 1 24 119 ASP . 25241 1 25 120 ALA . 25241 1 26 121 GLN . 25241 1 27 122 ALA . 25241 1 28 123 ALA . 25241 1 29 124 PHE . 25241 1 30 125 TYR . 25241 1 31 126 LYS . 25241 1 32 127 LEU . 25241 1 33 128 LEU . 25241 1 34 129 LEU . 25241 1 35 130 GLN . 25241 1 36 131 SER . 25241 1 37 132 ASN . 25241 1 38 133 TYR . 25241 1 39 134 PRO . 25241 1 40 135 GLN . 25241 1 41 136 TYR . 25241 1 42 137 VAL . 25241 1 43 138 VAL . 25241 1 44 139 SER . 25241 1 45 140 ARG . 25241 1 46 141 PHE . 25241 1 47 142 GLU . 25241 1 48 143 THR . 25241 1 49 144 PRO . 25241 1 50 145 GLY . 25241 1 51 146 ILE . 25241 1 52 147 ALA . 25241 1 53 148 SER . 25241 1 54 149 SER . 25241 1 55 150 PRO . 25241 1 56 151 GLU . 25241 1 57 152 CYS . 25241 1 58 153 MET . 25241 1 59 154 GLU . 25241 1 60 155 LEU . 25241 1 61 156 TYR . 25241 1 62 157 MET . 25241 1 63 158 GLU . 25241 1 64 159 ALA . 25241 1 65 160 LEU . 25241 1 66 161 GLN . 25241 1 67 162 ARG . 25241 1 68 163 ILE . 25241 1 69 164 GLY . 25241 1 70 165 ARG . 25241 1 71 166 HIS . 25241 1 72 167 SER . 25241 1 73 168 GLU . 25241 1 74 169 ALA . 25241 1 75 170 ASP . 25241 1 76 171 ALA . 25241 1 77 172 VAL . 25241 1 78 173 ARG . 25241 1 79 174 GLN . 25241 1 80 175 ASN . 25241 1 81 176 LEU . 25241 1 82 177 GLU . 25241 1 83 178 HIS . 25241 1 84 179 HIS . 25241 1 85 180 HIS . 25241 1 86 181 HIS . 25241 1 87 182 HIS . 25241 1 88 183 HIS . 25241 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 25241 1 . VAL 2 2 25241 1 . ALA 3 3 25241 1 . VAL 4 4 25241 1 . SER 5 5 25241 1 . HIS 6 6 25241 1 . ALA 7 7 25241 1 . MET 8 8 25241 1 . LEU 9 9 25241 1 . ALA 10 10 25241 1 . THR 11 11 25241 1 . ARG 12 12 25241 1 . GLU 13 13 25241 1 . GLN 14 14 25241 1 . GLU 15 15 25241 1 . ALA 16 16 25241 1 . ASN 17 17 25241 1 . LYS 18 18 25241 1 . ASP 19 19 25241 1 . LEU 20 20 25241 1 . THR 21 21 25241 1 . SER 22 22 25241 1 . PRO 23 23 25241 1 . ASP 24 24 25241 1 . ALA 25 25 25241 1 . GLN 26 26 25241 1 . ALA 27 27 25241 1 . ALA 28 28 25241 1 . PHE 29 29 25241 1 . TYR 30 30 25241 1 . LYS 31 31 25241 1 . LEU 32 32 25241 1 . LEU 33 33 25241 1 . LEU 34 34 25241 1 . GLN 35 35 25241 1 . SER 36 36 25241 1 . ASN 37 37 25241 1 . TYR 38 38 25241 1 . PRO 39 39 25241 1 . GLN 40 40 25241 1 . TYR 41 41 25241 1 . VAL 42 42 25241 1 . VAL 43 43 25241 1 . SER 44 44 25241 1 . ARG 45 45 25241 1 . PHE 46 46 25241 1 . GLU 47 47 25241 1 . THR 48 48 25241 1 . PRO 49 49 25241 1 . GLY 50 50 25241 1 . ILE 51 51 25241 1 . ALA 52 52 25241 1 . SER 53 53 25241 1 . SER 54 54 25241 1 . PRO 55 55 25241 1 . GLU 56 56 25241 1 . CYS 57 57 25241 1 . MET 58 58 25241 1 . GLU 59 59 25241 1 . LEU 60 60 25241 1 . TYR 61 61 25241 1 . MET 62 62 25241 1 . GLU 63 63 25241 1 . ALA 64 64 25241 1 . LEU 65 65 25241 1 . GLN 66 66 25241 1 . ARG 67 67 25241 1 . ILE 68 68 25241 1 . GLY 69 69 25241 1 . ARG 70 70 25241 1 . HIS 71 71 25241 1 . SER 72 72 25241 1 . GLU 73 73 25241 1 . ALA 74 74 25241 1 . ASP 75 75 25241 1 . ALA 76 76 25241 1 . VAL 77 77 25241 1 . ARG 78 78 25241 1 . GLN 79 79 25241 1 . ASN 80 80 25241 1 . LEU 81 81 25241 1 . GLU 82 82 25241 1 . HIS 83 83 25241 1 . HIS 84 84 25241 1 . HIS 85 85 25241 1 . HIS 86 86 25241 1 . HIS 87 87 25241 1 . HIS 88 88 25241 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25241 _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 $Yme1-N . 559292 organism . 'Saccharomyces cerevisiae' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae S288c . . . . . . . . . . . . 25241 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 25241 _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 $Yme1-N . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C41(DE3) . . . . . pET30a . . . 25241 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labelled _Sample.Sf_category sample _Sample.Sf_framecode 15N-labelled _Sample.Entry_ID 25241 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Yme1-N '[U-100% 15N]' . . 1 $Yme1-N . . 0.5 . . mM . . . . 25241 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25241 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25241 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25241 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25241 1 stop_ save_ save_13C-15N-labelled _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N-labelled _Sample.Entry_ID 25241 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FtsH-N '[U-100% 13C; U-100% 15N]' . . 1 $Yme1-N . . 0.5 . . mM . . . . 25241 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25241 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25241 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25241 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25241 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25241 _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' 0.340 . M 25241 1 pH 7.9 . pH 25241 1 pressure 1 . atm 25241 1 temperature 298 . K 25241 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25241 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25241 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25241 1 processing 25241 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25241 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25241 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25241 2 'data analysis' 25241 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25241 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version 2.9.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25241 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25241 3 'structure solution' 25241 3 stop_ save_ save_NMR-SPIRIT _Software.Sf_category software _Software.Sf_framecode NMR-SPIRIT _Software.Entry_ID 25241 _Software.ID 4 _Software.Name NMR-SPIRIT _Software.Version 1.1 _Software.Details '3D-NOESY back-calculation suite' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'In house' . . 25241 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25241 4 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 25241 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25241 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25241 _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 . . . 25241 1 2 spectrometer_2 Bruker Avance . 800 . . . 25241 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 25241 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25241 1 2 '3D C(CO)NH' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25241 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25241 1 4 '3D CCH NOESY' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25241 1 5 '3D CNH NOESY' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25241 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25241 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25241 1 8 '3D HNHA' no . . . . . . . . . . 1 $15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25241 1 9 '3D HNHB' no . . . . . . . . . . 1 $15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25241 1 10 '3D 3JHBHA(CO)NH' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25241 1 11 '3D NNH NOESY' no . . . . . . . . . . 1 $15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25241 1 12 '3D HN(CA)NNH' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25241 1 13 '3D HNCA' no . . . . . . . . . . 2 $13C-15N-labelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25241 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 25241 _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 2.60 . indirect 0.251449530 . . . . . 25241 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25241 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 25241 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 25241 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 25241 1 2 '3D C(CO)NH' . . . 25241 1 3 '3D HCCH-TOCSY' . . . 25241 1 8 '3D HNHA' . . . 25241 1 9 '3D HNHB' . . . 25241 1 10 '3D 3JHBHA(CO)NH' . . . 25241 1 12 '3D HN(CA)NNH' . . . 25241 1 13 '3D HNCA' . . . 25241 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 25241 1 2 $SPARKY . . 25241 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 ALA HA H 1 4.27 0.02 . 1 . . . A 98 ALA HA . 25241 1 2 . 1 1 3 3 ALA HB1 H 1 1.33 0.02 . 1 . . . A 98 ALA HB1 . 25241 1 3 . 1 1 3 3 ALA HB2 H 1 1.33 0.02 . 1 . . . A 98 ALA HB2 . 25241 1 4 . 1 1 3 3 ALA HB3 H 1 1.33 0.02 . 1 . . . A 98 ALA HB3 . 25241 1 5 . 1 1 3 3 ALA CA C 13 52.68 0.05 . 1 . . . A 98 ALA CA . 25241 1 6 . 1 1 3 3 ALA CB C 13 19.14 0.05 . 1 . . . A 98 ALA CB . 25241 1 7 . 1 1 4 4 VAL HA H 1 4.09 0.02 . 1 . . . A 99 VAL HA . 25241 1 8 . 1 1 4 4 VAL CA C 13 62.09 0.05 . 1 . . . A 99 VAL CA . 25241 1 9 . 1 1 4 4 VAL CB C 13 32.91 0.05 . 1 . . . A 99 VAL CB . 25241 1 10 . 1 1 4 4 VAL CG1 C 13 23.2 0.05 . 1 . . . A 99 VAL CG1 . 25241 1 11 . 1 1 4 4 VAL CG2 C 13 23.2 0.05 . 1 . . . A 99 VAL CG2 . 25241 1 12 . 1 1 5 5 SER HA H 1 4.44 0.02 . 1 . . . A 100 SER HA . 25241 1 13 . 1 1 5 5 SER HB2 H 1 4.04 0.02 . 1 . . . A 100 SER HB2 . 25241 1 14 . 1 1 5 5 SER HB3 H 1 4.04 0.02 . 1 . . . A 100 SER HB3 . 25241 1 15 . 1 1 5 5 SER CA C 13 58.22 0.05 . 1 . . . A 100 SER CA . 25241 1 16 . 1 1 5 5 SER CB C 13 63.90 0.05 . 1 . . . A 100 SER CB . 25241 1 17 . 1 1 6 6 HIS HA H 1 4.32 0.02 . 1 . . . A 101 HIS HA . 25241 1 18 . 1 1 6 6 HIS HB2 H 1 3.11 0.02 . 1 . . . A 101 HIS HB2 . 25241 1 19 . 1 1 6 6 HIS HB3 H 1 3.11 0.02 . 1 . . . A 101 HIS HB3 . 25241 1 20 . 1 1 6 6 HIS HD1 H 1 6.92 0.02 . 1 . . . A 101 HIS HD1 . 25241 1 21 . 1 1 6 6 HIS CA C 13 59.36 0.05 . 1 . . . A 101 HIS CA . 25241 1 22 . 1 1 6 6 HIS CB C 13 30.56 0.05 . 1 . . . A 101 HIS CB . 25241 1 23 . 1 1 6 6 HIS ND1 N 15 118.74 0.05 . 1 . . . A 101 HIS ND1 . 25241 1 24 . 1 1 7 7 ALA HA H 1 4.29 0.02 . 1 . . . A 102 ALA HA . 25241 1 25 . 1 1 7 7 ALA HB1 H 1 1.33 0.02 . 1 . . . A 102 ALA HB1 . 25241 1 26 . 1 1 7 7 ALA HB2 H 1 1.33 0.02 . 1 . . . A 102 ALA HB2 . 25241 1 27 . 1 1 7 7 ALA HB3 H 1 1.33 0.02 . 1 . . . A 102 ALA HB3 . 25241 1 28 . 1 1 7 7 ALA CA C 13 52.27 0.05 . 1 . . . A 102 ALA CA . 25241 1 29 . 1 1 7 7 ALA CB C 13 19.12 0.05 . 1 . . . A 102 ALA CB . 25241 1 30 . 1 1 8 8 MET HA H 1 4.29 0.02 . 1 . . . A 103 MET HA . 25241 1 31 . 1 1 8 8 MET HB2 H 1 2.17 0.02 . 2 . . . A 103 MET HB2 . 25241 1 32 . 1 1 8 8 MET HB3 H 1 2.10 0.02 . 2 . . . A 103 MET HB3 . 25241 1 33 . 1 1 8 8 MET HG2 H 1 2.63 0.02 . 2 . . . A 103 MET HG2 . 25241 1 34 . 1 1 8 8 MET HG3 H 1 2.56 0.02 . 2 . . . A 103 MET HG3 . 25241 1 35 . 1 1 8 8 MET HE1 H 1 2.06 0.02 . 1 . . . A 103 MET HE1 . 25241 1 36 . 1 1 8 8 MET HE2 H 1 2.06 0.02 . 1 . . . A 103 MET HE2 . 25241 1 37 . 1 1 8 8 MET HE3 H 1 2.06 0.02 . 1 . . . A 103 MET HE3 . 25241 1 38 . 1 1 8 8 MET CA C 13 57.50 0.05 . 1 . . . A 103 MET CA . 25241 1 39 . 1 1 8 8 MET CB C 13 32.27 0.05 . 1 . . . A 103 MET CB . 25241 1 40 . 1 1 8 8 MET CG C 13 32.18 0.05 . 1 . . . A 103 MET CG . 25241 1 41 . 1 1 8 8 MET CE C 13 16.71 0.05 . 1 . . . A 103 MET CE . 25241 1 42 . 1 1 9 9 LEU HA H 1 3.99 0.02 . 1 . . . A 104 LEU HA . 25241 1 43 . 1 1 9 9 LEU HB2 H 1 1.68 0.02 . 1 . . . A 104 LEU HB2 . 25241 1 44 . 1 1 9 9 LEU HB3 H 1 1.79 0.02 . 1 . . . A 104 LEU HB3 . 25241 1 45 . 1 1 9 9 LEU HG H 1 1.70 0.02 . 1 . . . A 104 LEU HG . 25241 1 46 . 1 1 9 9 LEU HD11 H 1 0.87 0.02 . 1 . . . A 104 LEU HD11 . 25241 1 47 . 1 1 9 9 LEU HD12 H 1 0.87 0.02 . 1 . . . A 104 LEU HD12 . 25241 1 48 . 1 1 9 9 LEU HD13 H 1 0.87 0.02 . 1 . . . A 104 LEU HD13 . 25241 1 49 . 1 1 9 9 LEU HD21 H 1 0.86 0.02 . 1 . . . A 104 LEU HD21 . 25241 1 50 . 1 1 9 9 LEU HD22 H 1 0.86 0.02 . 1 . . . A 104 LEU HD22 . 25241 1 51 . 1 1 9 9 LEU HD23 H 1 0.86 0.02 . 1 . . . A 104 LEU HD23 . 25241 1 52 . 1 1 9 9 LEU CA C 13 58.66 0.05 . 1 . . . A 104 LEU CA . 25241 1 53 . 1 1 9 9 LEU CB C 13 41.73 0.05 . 1 . . . A 104 LEU CB . 25241 1 54 . 1 1 9 9 LEU CG C 13 27.39 0.05 . 1 . . . A 104 LEU CG . 25241 1 55 . 1 1 9 9 LEU CD1 C 13 25.12 0.05 . 1 . . . A 104 LEU CD1 . 25241 1 56 . 1 1 9 9 LEU CD2 C 13 24.32 0.05 . 1 . . . A 104 LEU CD2 . 25241 1 57 . 1 1 10 10 ALA HA H 1 4.07 0.02 . 1 . . . A 105 ALA HA . 25241 1 58 . 1 1 10 10 ALA HB1 H 1 1.39 0.02 . 1 . . . A 105 ALA HB1 . 25241 1 59 . 1 1 10 10 ALA HB2 H 1 1.39 0.02 . 1 . . . A 105 ALA HB2 . 25241 1 60 . 1 1 10 10 ALA HB3 H 1 1.39 0.02 . 1 . . . A 105 ALA HB3 . 25241 1 61 . 1 1 10 10 ALA CA C 13 55.05 0.05 . 1 . . . A 105 ALA CA . 25241 1 62 . 1 1 10 10 ALA CB C 13 17.86 0.05 . 1 . . . A 105 ALA CB . 25241 1 63 . 1 1 11 11 THR HA H 1 3.87 0.02 . 1 . . . A 106 THR HA . 25241 1 64 . 1 1 11 11 THR HB H 1 4.18 0.02 . 1 . . . A 106 THR HB . 25241 1 65 . 1 1 11 11 THR HG21 H 1 1.15 0.02 . 1 . . . A 106 THR HG21 . 25241 1 66 . 1 1 11 11 THR HG22 H 1 1.15 0.02 . 1 . . . A 106 THR HG22 . 25241 1 67 . 1 1 11 11 THR HG23 H 1 1.15 0.02 . 1 . . . A 106 THR HG23 . 25241 1 68 . 1 1 11 11 THR C C 13 176.47 0.05 . 1 . . . A 106 THR C . 25241 1 69 . 1 1 11 11 THR CA C 13 66.39 0.05 . 1 . . . A 106 THR CA . 25241 1 70 . 1 1 11 11 THR CB C 13 68.68 0.05 . 1 . . . A 106 THR CB . 25241 1 71 . 1 1 11 11 THR CG2 C 13 21.71 0.05 . 1 . . . A 106 THR CG2 . 25241 1 72 . 1 1 12 12 ARG H H 1 8.11 0.02 . 1 . . . A 107 ARG H . 25241 1 73 . 1 1 12 12 ARG HA H 1 4.00 0.02 . 1 . . . A 107 ARG HA . 25241 1 74 . 1 1 12 12 ARG HB2 H 1 1.74 0.02 . 1 . . . A 107 ARG HB2 . 25241 1 75 . 1 1 12 12 ARG HB3 H 1 2.08 0.02 . 1 . . . A 107 ARG HB3 . 25241 1 76 . 1 1 12 12 ARG HG2 H 1 2.02 0.02 . 2 . . . A 107 ARG HG2 . 25241 1 77 . 1 1 12 12 ARG HG3 H 1 1.72 0.02 . 2 . . . A 107 ARG HG3 . 25241 1 78 . 1 1 12 12 ARG HD2 H 1 3.21 0.02 . 2 . . . A 107 ARG HD2 . 25241 1 79 . 1 1 12 12 ARG HD3 H 1 3.02 0.02 . 2 . . . A 107 ARG HD3 . 25241 1 80 . 1 1 12 12 ARG C C 13 178.78 0.05 . 1 . . . A 107 ARG C . 25241 1 81 . 1 1 12 12 ARG CA C 13 57.64 0.05 . 1 . . . A 107 ARG CA . 25241 1 82 . 1 1 12 12 ARG CB C 13 29.31 0.05 . 1 . . . A 107 ARG CB . 25241 1 83 . 1 1 12 12 ARG CG C 13 27.54 0.05 . 1 . . . A 107 ARG CG . 25241 1 84 . 1 1 12 12 ARG CD C 13 42.29 0.05 . 1 . . . A 107 ARG CD . 25241 1 85 . 1 1 12 12 ARG N N 15 120.11 0.05 . 1 . . . A 107 ARG N . 25241 1 86 . 1 1 13 13 GLU H H 1 8.33 0.02 . 1 . . . A 108 GLU H . 25241 1 87 . 1 1 13 13 GLU HA H 1 2.17 0.02 . 1 . . . A 108 GLU HA . 25241 1 88 . 1 1 13 13 GLU HB2 H 1 1.70 0.02 . 1 . . . A 108 GLU HB2 . 25241 1 89 . 1 1 13 13 GLU HB3 H 1 1.85 0.02 . 1 . . . A 108 GLU HB3 . 25241 1 90 . 1 1 13 13 GLU HG2 H 1 1.83 0.02 . 2 . . . A 108 GLU HG2 . 25241 1 91 . 1 1 13 13 GLU HG3 H 1 1.65 0.02 . 2 . . . A 108 GLU HG3 . 25241 1 92 . 1 1 13 13 GLU C C 13 177.22 0.05 . 1 . . . A 108 GLU C . 25241 1 93 . 1 1 13 13 GLU CA C 13 59.13 0.05 . 1 . . . A 108 GLU CA . 25241 1 94 . 1 1 13 13 GLU CB C 13 29.67 0.05 . 1 . . . A 108 GLU CB . 25241 1 95 . 1 1 13 13 GLU CG C 13 35.80 0.05 . 1 . . . A 108 GLU CG . 25241 1 96 . 1 1 13 13 GLU N N 15 124.15 0.05 . 1 . . . A 108 GLU N . 25241 1 97 . 1 1 14 14 GLN H H 1 7.67 0.02 . 1 . . . A 109 GLN H . 25241 1 98 . 1 1 14 14 GLN HA H 1 3.86 0.02 . 1 . . . A 109 GLN HA . 25241 1 99 . 1 1 14 14 GLN HB2 H 1 2.14 0.02 . 2 . . . A 109 GLN HB2 . 25241 1 100 . 1 1 14 14 GLN HB3 H 1 2.09 0.02 . 2 . . . A 109 GLN HB3 . 25241 1 101 . 1 1 14 14 GLN HG2 H 1 2.42 0.02 . 2 . . . A 109 GLN HG2 . 25241 1 102 . 1 1 14 14 GLN HG3 H 1 2.31 0.02 . 2 . . . A 109 GLN HG3 . 25241 1 103 . 1 1 14 14 GLN C C 13 179.57 0.05 . 1 . . . A 109 GLN C . 25241 1 104 . 1 1 14 14 GLN CA C 13 58.84 0.05 . 1 . . . A 109 GLN CA . 25241 1 105 . 1 1 14 14 GLN CB C 13 28.06 0.05 . 1 . . . A 109 GLN CB . 25241 1 106 . 1 1 14 14 GLN CG C 13 33.85 0.05 . 1 . . . A 109 GLN CG . 25241 1 107 . 1 1 14 14 GLN N N 15 117.75 0.05 . 1 . . . A 109 GLN N . 25241 1 108 . 1 1 15 15 GLU H H 1 7.82 0.02 . 1 . . . A 110 GLU H . 25241 1 109 . 1 1 15 15 GLU HA H 1 3.79 0.02 . 1 . . . A 110 GLU HA . 25241 1 110 . 1 1 15 15 GLU HB2 H 1 1.94 0.02 . 2 . . . A 110 GLU HB2 . 25241 1 111 . 1 1 15 15 GLU HB3 H 1 1.90 0.02 . 2 . . . A 110 GLU HB3 . 25241 1 112 . 1 1 15 15 GLU HG2 H 1 2.38 0.02 . 2 . . . A 110 GLU HG2 . 25241 1 113 . 1 1 15 15 GLU HG3 H 1 2.17 0.02 . 2 . . . A 110 GLU HG3 . 25241 1 114 . 1 1 15 15 GLU C C 13 178.86 0.05 . 1 . . . A 110 GLU C . 25241 1 115 . 1 1 15 15 GLU CA C 13 59.06 0.05 . 1 . . . A 110 GLU CA . 25241 1 116 . 1 1 15 15 GLU CB C 13 29.56 0.05 . 1 . . . A 110 GLU CB . 25241 1 117 . 1 1 15 15 GLU CG C 13 36.33 0.05 . 1 . . . A 110 GLU CG . 25241 1 118 . 1 1 15 15 GLU N N 15 118.56 0.05 . 1 . . . A 110 GLU N . 25241 1 119 . 1 1 16 16 ALA H H 1 7.74 0.02 . 1 . . . A 111 ALA H . 25241 1 120 . 1 1 16 16 ALA HA H 1 3.78 0.02 . 1 . . . A 111 ALA HA . 25241 1 121 . 1 1 16 16 ALA HB1 H 1 1.11 0.02 . 1 . . . A 111 ALA HB1 . 25241 1 122 . 1 1 16 16 ALA HB2 H 1 1.11 0.02 . 1 . . . A 111 ALA HB2 . 25241 1 123 . 1 1 16 16 ALA HB3 H 1 1.11 0.02 . 1 . . . A 111 ALA HB3 . 25241 1 124 . 1 1 16 16 ALA C C 13 179.25 0.05 . 1 . . . A 111 ALA C . 25241 1 125 . 1 1 16 16 ALA CA C 13 54.77 0.05 . 1 . . . A 111 ALA CA . 25241 1 126 . 1 1 16 16 ALA CB C 13 16.87 0.05 . 1 . . . A 111 ALA CB . 25241 1 127 . 1 1 16 16 ALA N N 15 122.87 0.05 . 1 . . . A 111 ALA N . 25241 1 128 . 1 1 17 17 ASN H H 1 7.91 0.02 . 1 . . . A 112 ASN H . 25241 1 129 . 1 1 17 17 ASN HA H 1 4.53 0.02 . 1 . . . A 112 ASN HA . 25241 1 130 . 1 1 17 17 ASN HB2 H 1 2.72 0.02 . 1 . . . A 112 ASN HB2 . 25241 1 131 . 1 1 17 17 ASN HB3 H 1 2.72 0.02 . 1 . . . A 112 ASN HB3 . 25241 1 132 . 1 1 17 17 ASN HD21 H 1 7.57 0.02 . 1 . . . A 112 ASN HD21 . 25241 1 133 . 1 1 17 17 ASN HD22 H 1 7.52 0.02 . 1 . . . A 112 ASN HD22 . 25241 1 134 . 1 1 17 17 ASN C C 13 176.28 0.05 . 1 . . . A 112 ASN C . 25241 1 135 . 1 1 17 17 ASN CA C 13 53.36 0.05 . 1 . . . A 112 ASN CA . 25241 1 136 . 1 1 17 17 ASN CB C 13 37.97 0.05 . 1 . . . A 112 ASN CB . 25241 1 137 . 1 1 17 17 ASN N N 15 114.50 0.05 . 1 . . . A 112 ASN N . 25241 1 138 . 1 1 17 17 ASN ND2 N 15 113.39 0.05 . 1 . . . A 112 ASN ND2 . 25241 1 139 . 1 1 18 18 LYS H H 1 7.50 0.02 . 1 . . . A 113 LYS H . 25241 1 140 . 1 1 18 18 LYS HA H 1 4.02 0.02 . 1 . . . A 113 LYS HA . 25241 1 141 . 1 1 18 18 LYS HB2 H 1 1.80 0.02 . 1 . . . A 113 LYS HB2 . 25241 1 142 . 1 1 18 18 LYS HB3 H 1 1.80 0.02 . 1 . . . A 113 LYS HB3 . 25241 1 143 . 1 1 18 18 LYS HG2 H 1 1.51 0.02 . 2 . . . A 113 LYS HG2 . 25241 1 144 . 1 1 18 18 LYS HG3 H 1 1.40 0.02 . 2 . . . A 113 LYS HG3 . 25241 1 145 . 1 1 18 18 LYS HD2 H 1 1.61 0.02 . 1 . . . A 113 LYS HD2 . 25241 1 146 . 1 1 18 18 LYS HD3 H 1 1.61 0.02 . 1 . . . A 113 LYS HD3 . 25241 1 147 . 1 1 18 18 LYS HE2 H 1 2.88 0.02 . 1 . . . A 113 LYS HE2 . 25241 1 148 . 1 1 18 18 LYS HE3 H 1 2.88 0.02 . 1 . . . A 113 LYS HE3 . 25241 1 149 . 1 1 18 18 LYS C C 13 176.34 0.05 . 1 . . . A 113 LYS C . 25241 1 150 . 1 1 18 18 LYS CA C 13 58.09 0.05 . 1 . . . A 113 LYS CA . 25241 1 151 . 1 1 18 18 LYS CB C 13 32.62 0.05 . 1 . . . A 113 LYS CB . 25241 1 152 . 1 1 18 18 LYS CG C 13 24.96 0.05 . 1 . . . A 113 LYS CG . 25241 1 153 . 1 1 18 18 LYS CD C 13 29.42 0.05 . 1 . . . A 113 LYS CD . 25241 1 154 . 1 1 18 18 LYS CE C 13 41.96 0.05 . 1 . . . A 113 LYS CE . 25241 1 155 . 1 1 18 18 LYS N N 15 120.59 0.05 . 1 . . . A 113 LYS N . 25241 1 156 . 1 1 19 19 ASP H H 1 6.85 0.02 . 1 . . . A 114 ASP H . 25241 1 157 . 1 1 19 19 ASP HA H 1 4.84 0.02 . 1 . . . A 114 ASP HA . 25241 1 158 . 1 1 19 19 ASP HB2 H 1 2.30 0.02 . 1 . . . A 114 ASP HB2 . 25241 1 159 . 1 1 19 19 ASP HB3 H 1 2.75 0.02 . 1 . . . A 114 ASP HB3 . 25241 1 160 . 1 1 19 19 ASP C C 13 176.00 0.05 . 1 . . . A 114 ASP C . 25241 1 161 . 1 1 19 19 ASP CA C 13 52.60 0.05 . 1 . . . A 114 ASP CA . 25241 1 162 . 1 1 19 19 ASP CB C 13 40.47 0.05 . 1 . . . A 114 ASP CB . 25241 1 163 . 1 1 19 19 ASP N N 15 116.10 0.05 . 1 . . . A 114 ASP N . 25241 1 164 . 1 1 20 20 LEU H H 1 8.43 0.02 . 1 . . . A 115 LEU H . 25241 1 165 . 1 1 20 20 LEU HA H 1 4.07 0.02 . 1 . . . A 115 LEU HA . 25241 1 166 . 1 1 20 20 LEU HB2 H 1 1.67 0.02 . 1 . . . A 115 LEU HB2 . 25241 1 167 . 1 1 20 20 LEU HB3 H 1 1.72 0.02 . 1 . . . A 115 LEU HB3 . 25241 1 168 . 1 1 20 20 LEU HG H 1 1.71 0.02 . 1 . . . A 115 LEU HG . 25241 1 169 . 1 1 20 20 LEU HD11 H 1 0.85 0.02 . 1 . . . A 115 LEU HD11 . 25241 1 170 . 1 1 20 20 LEU HD12 H 1 0.85 0.02 . 1 . . . A 115 LEU HD12 . 25241 1 171 . 1 1 20 20 LEU HD13 H 1 0.85 0.02 . 1 . . . A 115 LEU HD13 . 25241 1 172 . 1 1 20 20 LEU HD21 H 1 0.90 0.02 . 1 . . . A 115 LEU HD21 . 25241 1 173 . 1 1 20 20 LEU HD22 H 1 0.90 0.02 . 1 . . . A 115 LEU HD22 . 25241 1 174 . 1 1 20 20 LEU HD23 H 1 0.90 0.02 . 1 . . . A 115 LEU HD23 . 25241 1 175 . 1 1 20 20 LEU C C 13 176.31 0.05 . 1 . . . A 115 LEU C . 25241 1 176 . 1 1 20 20 LEU CA C 13 57.06 0.05 . 1 . . . A 115 LEU CA . 25241 1 177 . 1 1 20 20 LEU CB C 13 41.64 0.05 . 1 . . . A 115 LEU CB . 25241 1 178 . 1 1 20 20 LEU CG C 13 26.93 0.05 . 1 . . . A 115 LEU CG . 25241 1 179 . 1 1 20 20 LEU CD1 C 13 25.22 0.05 . 1 . . . A 115 LEU CD1 . 25241 1 180 . 1 1 20 20 LEU CD2 C 13 23.37 0.05 . 1 . . . A 115 LEU CD2 . 25241 1 181 . 1 1 20 20 LEU N N 15 123.86 0.05 . 1 . . . A 115 LEU N . 25241 1 182 . 1 1 21 21 THR H H 1 7.91 0.02 . 1 . . . A 116 THR H . 25241 1 183 . 1 1 21 21 THR HA H 1 4.35 0.02 . 1 . . . A 116 THR HA . 25241 1 184 . 1 1 21 21 THR HB H 1 4.42 0.02 . 1 . . . A 116 THR HB . 25241 1 185 . 1 1 21 21 THR HG21 H 1 1.16 0.02 . 1 . . . A 116 THR HG21 . 25241 1 186 . 1 1 21 21 THR HG22 H 1 1.16 0.02 . 1 . . . A 116 THR HG22 . 25241 1 187 . 1 1 21 21 THR HG23 H 1 1.16 0.02 . 1 . . . A 116 THR HG23 . 25241 1 188 . 1 1 21 21 THR C C 13 174.28 0.05 . 1 . . . A 116 THR C . 25241 1 189 . 1 1 21 21 THR CA C 13 61.72 0.05 . 1 . . . A 116 THR CA . 25241 1 190 . 1 1 21 21 THR CB C 13 69.10 0.05 . 1 . . . A 116 THR CB . 25241 1 191 . 1 1 21 21 THR CG2 C 13 21.65 0.05 . 1 . . . A 116 THR CG2 . 25241 1 192 . 1 1 21 21 THR N N 15 103.54 0.05 . 1 . . . A 116 THR N . 25241 1 193 . 1 1 22 22 SER H H 1 7.23 0.02 . 1 . . . A 117 SER H . 25241 1 194 . 1 1 22 22 SER HA H 1 5.08 0.02 . 1 . . . A 117 SER HA . 25241 1 195 . 1 1 22 22 SER HB2 H 1 3.81 0.02 . 1 . . . A 117 SER HB2 . 25241 1 196 . 1 1 22 22 SER HB3 H 1 4.05 0.02 . 1 . . . A 117 SER HB3 . 25241 1 197 . 1 1 22 22 SER CA C 13 52.97 0.05 . 1 . . . A 117 SER CA . 25241 1 198 . 1 1 22 22 SER CB C 13 63.04 0.05 . 1 . . . A 117 SER CB . 25241 1 199 . 1 1 22 22 SER N N 15 116.86 0.05 . 1 . . . A 117 SER N . 25241 1 200 . 1 1 23 23 PRO HA H 1 4.09 0.02 . 1 . . . A 118 PRO HA . 25241 1 201 . 1 1 23 23 PRO HB2 H 1 1.99 0.02 . 1 . . . A 118 PRO HB2 . 25241 1 202 . 1 1 23 23 PRO HB3 H 1 1.99 0.02 . 1 . . . A 118 PRO HB3 . 25241 1 203 . 1 1 23 23 PRO HG2 H 1 2.16 0.02 . 2 . . . A 118 PRO HG2 . 25241 1 204 . 1 1 23 23 PRO HG3 H 1 2.07 0.02 . 2 . . . A 118 PRO HG3 . 25241 1 205 . 1 1 23 23 PRO HD2 H 1 4.25 0.02 . 1 . . . A 118 PRO HD2 . 25241 1 206 . 1 1 23 23 PRO HD3 H 1 4.11 0.02 . 1 . . . A 118 PRO HD3 . 25241 1 207 . 1 1 23 23 PRO CA C 13 64.55 0.05 . 1 . . . A 118 PRO CA . 25241 1 208 . 1 1 23 23 PRO CB C 13 31.75 0.05 . 1 . . . A 118 PRO CB . 25241 1 209 . 1 1 23 23 PRO CG C 13 27.16 0.05 . 1 . . . A 118 PRO CG . 25241 1 210 . 1 1 23 23 PRO CD C 13 51.43 0.05 . 1 . . . A 118 PRO CD . 25241 1 211 . 1 1 24 24 ASP HA H 1 4.22 0.02 . 1 . . . A 119 ASP HA . 25241 1 212 . 1 1 24 24 ASP HB2 H 1 2.59 0.02 . 2 . . . A 119 ASP HB2 . 25241 1 213 . 1 1 24 24 ASP HB3 H 1 2.37 0.02 . 2 . . . A 119 ASP HB3 . 25241 1 214 . 1 1 24 24 ASP CA C 13 56.94 0.05 . 1 . . . A 119 ASP CA . 25241 1 215 . 1 1 24 24 ASP CB C 13 40.06 0.05 . 1 . . . A 119 ASP CB . 25241 1 216 . 1 1 25 25 ALA HA H 1 4.04 0.02 . 1 . . . A 120 ALA HA . 25241 1 217 . 1 1 25 25 ALA HB1 H 1 1.40 0.02 . 1 . . . A 120 ALA HB1 . 25241 1 218 . 1 1 25 25 ALA HB2 H 1 1.40 0.02 . 1 . . . A 120 ALA HB2 . 25241 1 219 . 1 1 25 25 ALA HB3 H 1 1.40 0.02 . 1 . . . A 120 ALA HB3 . 25241 1 220 . 1 1 25 25 ALA C C 13 180.43 0.05 . 1 . . . A 120 ALA C . 25241 1 221 . 1 1 25 25 ALA CA C 13 54.43 0.05 . 1 . . . A 120 ALA CA . 25241 1 222 . 1 1 25 25 ALA CB C 13 18.05 0.05 . 1 . . . A 120 ALA CB . 25241 1 223 . 1 1 26 26 GLN H H 1 7.22 0.02 . 1 . . . A 121 GLN H . 25241 1 224 . 1 1 26 26 GLN HA H 1 3.85 0.02 . 1 . . . A 121 GLN HA . 25241 1 225 . 1 1 26 26 GLN HB2 H 1 2.12 0.02 . 1 . . . A 121 GLN HB2 . 25241 1 226 . 1 1 26 26 GLN HB3 H 1 1.92 0.02 . 1 . . . A 121 GLN HB3 . 25241 1 227 . 1 1 26 26 GLN HG2 H 1 3.02 0.02 . 1 . . . A 121 GLN HG2 . 25241 1 228 . 1 1 26 26 GLN HG3 H 1 2.61 0.02 . 1 . . . A 121 GLN HG3 . 25241 1 229 . 1 1 26 26 GLN HE21 H 1 6.80 0.02 . 1 . . . A 121 GLN HE21 . 25241 1 230 . 1 1 26 26 GLN HE22 H 1 7.55 0.02 . 1 . . . A 121 GLN HE22 . 25241 1 231 . 1 1 26 26 GLN C C 13 176.83 0.05 . 1 . . . A 121 GLN C . 25241 1 232 . 1 1 26 26 GLN CA C 13 56.78 0.05 . 1 . . . A 121 GLN CA . 25241 1 233 . 1 1 26 26 GLN CB C 13 25.60 0.05 . 1 . . . A 121 GLN CB . 25241 1 234 . 1 1 26 26 GLN CG C 13 31.84 0.05 . 1 . . . A 121 GLN CG . 25241 1 235 . 1 1 26 26 GLN N N 15 116.20 0.05 . 1 . . . A 121 GLN N . 25241 1 236 . 1 1 26 26 GLN NE2 N 15 117.03 0.05 . 1 . . . A 121 GLN NE2 . 25241 1 237 . 1 1 27 27 ALA H H 1 8.43 0.02 . 1 . . . A 122 ALA H . 25241 1 238 . 1 1 27 27 ALA HA H 1 3.85 0.02 . 1 . . . A 122 ALA HA . 25241 1 239 . 1 1 27 27 ALA HB1 H 1 1.42 0.02 . 1 . . . A 122 ALA HB1 . 25241 1 240 . 1 1 27 27 ALA HB2 H 1 1.42 0.02 . 1 . . . A 122 ALA HB2 . 25241 1 241 . 1 1 27 27 ALA HB3 H 1 1.42 0.02 . 1 . . . A 122 ALA HB3 . 25241 1 242 . 1 1 27 27 ALA C C 13 179.17 0.05 . 1 . . . A 122 ALA C . 25241 1 243 . 1 1 27 27 ALA CA C 13 55.42 0.05 . 1 . . . A 122 ALA CA . 25241 1 244 . 1 1 27 27 ALA CB C 13 18.05 0.05 . 1 . . . A 122 ALA CB . 25241 1 245 . 1 1 27 27 ALA N N 15 120.30 0.05 . 1 . . . A 122 ALA N . 25241 1 246 . 1 1 28 28 ALA H H 1 7.63 0.02 . 1 . . . A 123 ALA H . 25241 1 247 . 1 1 28 28 ALA HA H 1 3.98 0.02 . 1 . . . A 123 ALA HA . 25241 1 248 . 1 1 28 28 ALA HB1 H 1 1.37 0.02 . 1 . . . A 123 ALA HB1 . 25241 1 249 . 1 1 28 28 ALA HB2 H 1 1.37 0.02 . 1 . . . A 123 ALA HB2 . 25241 1 250 . 1 1 28 28 ALA HB3 H 1 1.37 0.02 . 1 . . . A 123 ALA HB3 . 25241 1 251 . 1 1 28 28 ALA C C 13 180.41 0.05 . 1 . . . A 123 ALA C . 25241 1 252 . 1 1 28 28 ALA CA C 13 54.97 0.05 . 1 . . . A 123 ALA CA . 25241 1 253 . 1 1 28 28 ALA CB C 13 18.03 0.05 . 1 . . . A 123 ALA CB . 25241 1 254 . 1 1 28 28 ALA N N 15 117.59 0.05 . 1 . . . A 123 ALA N . 25241 1 255 . 1 1 29 29 PHE H H 1 7.10 0.02 . 1 . . . A 124 PHE H . 25241 1 256 . 1 1 29 29 PHE HA H 1 4.63 0.02 . 1 . . . A 124 PHE HA . 25241 1 257 . 1 1 29 29 PHE HB2 H 1 3.05 0.02 . 1 . . . A 124 PHE HB2 . 25241 1 258 . 1 1 29 29 PHE HB3 H 1 3.05 0.02 . 1 . . . A 124 PHE HB3 . 25241 1 259 . 1 1 29 29 PHE HD1 H 1 6.94 0.02 . 1 . . . A 124 PHE HD1 . 25241 1 260 . 1 1 29 29 PHE HD2 H 1 6.94 0.02 . 1 . . . A 124 PHE HD2 . 25241 1 261 . 1 1 29 29 PHE HE1 H 1 7.24 0.02 . 1 . . . A 124 PHE HE1 . 25241 1 262 . 1 1 29 29 PHE HE2 H 1 7.24 0.02 . 1 . . . A 124 PHE HE2 . 25241 1 263 . 1 1 29 29 PHE HZ H 1 7.27 0.02 . 1 . . . A 124 PHE HZ . 25241 1 264 . 1 1 29 29 PHE C C 13 176.90 0.05 . 1 . . . A 124 PHE C . 25241 1 265 . 1 1 29 29 PHE CA C 13 57.84 0.05 . 1 . . . A 124 PHE CA . 25241 1 266 . 1 1 29 29 PHE CB C 13 38.72 0.05 . 1 . . . A 124 PHE CB . 25241 1 267 . 1 1 29 29 PHE CD1 C 13 130.07 0.05 . 1 . . . A 124 PHE CD1 . 25241 1 268 . 1 1 29 29 PHE CD2 C 13 130.07 0.05 . 1 . . . A 124 PHE CD2 . 25241 1 269 . 1 1 29 29 PHE CE1 C 13 130.98 0.05 . 1 . . . A 124 PHE CE1 . 25241 1 270 . 1 1 29 29 PHE CE2 C 13 130.98 0.05 . 1 . . . A 124 PHE CE2 . 25241 1 271 . 1 1 29 29 PHE CZ C 13 131.35 0.05 . 1 . . . A 124 PHE CZ . 25241 1 272 . 1 1 29 29 PHE N N 15 118.51 0.05 . 1 . . . A 124 PHE N . 25241 1 273 . 1 1 30 30 TYR H H 1 9.03 0.02 . 1 . . . A 125 TYR H . 25241 1 274 . 1 1 30 30 TYR HA H 1 4.25 0.02 . 1 . . . A 125 TYR HA . 25241 1 275 . 1 1 30 30 TYR HB2 H 1 3.42 0.02 . 1 . . . A 125 TYR HB2 . 25241 1 276 . 1 1 30 30 TYR HB3 H 1 2.95 0.02 . 1 . . . A 125 TYR HB3 . 25241 1 277 . 1 1 30 30 TYR HD1 H 1 6.81 0.02 . 1 . . . A 125 TYR HD1 . 25241 1 278 . 1 1 30 30 TYR HD2 H 1 6.81 0.02 . 1 . . . A 125 TYR HD2 . 25241 1 279 . 1 1 30 30 TYR HE1 H 1 6.89 0.02 . 1 . . . A 125 TYR HE1 . 25241 1 280 . 1 1 30 30 TYR HE2 H 1 6.89 0.02 . 1 . . . A 125 TYR HE2 . 25241 1 281 . 1 1 30 30 TYR C C 13 178.37 0.05 . 1 . . . A 125 TYR C . 25241 1 282 . 1 1 30 30 TYR CA C 13 57.92 0.05 . 1 . . . A 125 TYR CA . 25241 1 283 . 1 1 30 30 TYR CB C 13 37.58 0.05 . 1 . . . A 125 TYR CB . 25241 1 284 . 1 1 30 30 TYR CD1 C 13 132.77 0.05 . 1 . . . A 125 TYR CD1 . 25241 1 285 . 1 1 30 30 TYR CD2 C 13 132.77 0.05 . 1 . . . A 125 TYR CD2 . 25241 1 286 . 1 1 30 30 TYR CE1 C 13 117.57 0.05 . 1 . . . A 125 TYR CE1 . 25241 1 287 . 1 1 30 30 TYR CE2 C 13 117.57 0.05 . 1 . . . A 125 TYR CE2 . 25241 1 288 . 1 1 30 30 TYR N N 15 118.67 0.05 . 1 . . . A 125 TYR N . 25241 1 289 . 1 1 31 31 LYS H H 1 8.63 0.02 . 1 . . . A 126 LYS H . 25241 1 290 . 1 1 31 31 LYS HA H 1 3.87 0.02 . 1 . . . A 126 LYS HA . 25241 1 291 . 1 1 31 31 LYS HB2 H 1 1.80 0.02 . 1 . . . A 126 LYS HB2 . 25241 1 292 . 1 1 31 31 LYS HB3 H 1 1.86 0.02 . 1 . . . A 126 LYS HB3 . 25241 1 293 . 1 1 31 31 LYS HG2 H 1 1.67 0.02 . 2 . . . A 126 LYS HG2 . 25241 1 294 . 1 1 31 31 LYS HG3 H 1 1.44 0.02 . 2 . . . A 126 LYS HG3 . 25241 1 295 . 1 1 31 31 LYS HD2 H 1 1.66 0.02 . 2 . . . A 126 LYS HD2 . 25241 1 296 . 1 1 31 31 LYS HD3 H 1 1.61 0.02 . 2 . . . A 126 LYS HD3 . 25241 1 297 . 1 1 31 31 LYS HE2 H 1 2.87 0.02 . 2 . . . A 126 LYS HE2 . 25241 1 298 . 1 1 31 31 LYS HE3 H 1 2.75 0.02 . 2 . . . A 126 LYS HE3 . 25241 1 299 . 1 1 31 31 LYS C C 13 179.03 0.05 . 1 . . . A 126 LYS C . 25241 1 300 . 1 1 31 31 LYS CA C 13 60.56 0.05 . 1 . . . A 126 LYS CA . 25241 1 301 . 1 1 31 31 LYS CB C 13 32.77 0.05 . 1 . . . A 126 LYS CB . 25241 1 302 . 1 1 31 31 LYS CG C 13 26.57 0.05 . 1 . . . A 126 LYS CG . 25241 1 303 . 1 1 31 31 LYS CD C 13 29.70 0.05 . 1 . . . A 126 LYS CD . 25241 1 304 . 1 1 31 31 LYS CE C 13 42.32 0.05 . 1 . . . A 126 LYS CE . 25241 1 305 . 1 1 31 31 LYS N N 15 117.05 0.05 . 1 . . . A 126 LYS N . 25241 1 306 . 1 1 32 32 LEU H H 1 7.05 0.02 . 1 . . . A 127 LEU H . 25241 1 307 . 1 1 32 32 LEU HA H 1 4.23 0.02 . 1 . . . A 127 LEU HA . 25241 1 308 . 1 1 32 32 LEU HB2 H 1 1.77 0.02 . 1 . . . A 127 LEU HB2 . 25241 1 309 . 1 1 32 32 LEU HB3 H 1 1.77 0.02 . 1 . . . A 127 LEU HB3 . 25241 1 310 . 1 1 32 32 LEU HG H 1 1.71 0.02 . 1 . . . A 127 LEU HG . 25241 1 311 . 1 1 32 32 LEU HD11 H 1 0.87 0.02 . 1 . . . A 127 LEU HD11 . 25241 1 312 . 1 1 32 32 LEU HD12 H 1 0.87 0.02 . 1 . . . A 127 LEU HD12 . 25241 1 313 . 1 1 32 32 LEU HD13 H 1 0.87 0.02 . 1 . . . A 127 LEU HD13 . 25241 1 314 . 1 1 32 32 LEU HD21 H 1 0.93 0.02 . 1 . . . A 127 LEU HD21 . 25241 1 315 . 1 1 32 32 LEU HD22 H 1 0.93 0.02 . 1 . . . A 127 LEU HD22 . 25241 1 316 . 1 1 32 32 LEU HD23 H 1 0.93 0.02 . 1 . . . A 127 LEU HD23 . 25241 1 317 . 1 1 32 32 LEU C C 13 180.09 0.05 . 1 . . . A 127 LEU C . 25241 1 318 . 1 1 32 32 LEU CA C 13 57.19 0.05 . 1 . . . A 127 LEU CA . 25241 1 319 . 1 1 32 32 LEU CB C 13 41.89 0.05 . 1 . . . A 127 LEU CB . 25241 1 320 . 1 1 32 32 LEU CG C 13 27.17 0.05 . 1 . . . A 127 LEU CG . 25241 1 321 . 1 1 32 32 LEU CD1 C 13 24.71 0.05 . 1 . . . A 127 LEU CD1 . 25241 1 322 . 1 1 32 32 LEU CD2 C 13 24.61 0.05 . 1 . . . A 127 LEU CD2 . 25241 1 323 . 1 1 32 32 LEU N N 15 119.51 0.05 . 1 . . . A 127 LEU N . 25241 1 324 . 1 1 33 33 LEU H H 1 8.53 0.02 . 1 . . . A 128 LEU H . 25241 1 325 . 1 1 33 33 LEU HA H 1 3.84 0.02 . 1 . . . A 128 LEU HA . 25241 1 326 . 1 1 33 33 LEU HB2 H 1 1.91 0.02 . 1 . . . A 128 LEU HB2 . 25241 1 327 . 1 1 33 33 LEU HB3 H 1 1.26 0.02 . 1 . . . A 128 LEU HB3 . 25241 1 328 . 1 1 33 33 LEU HG H 1 0.97 0.02 . 1 . . . A 128 LEU HG . 25241 1 329 . 1 1 33 33 LEU HD11 H 1 0.06 0.02 . 1 . . . A 128 LEU HD11 . 25241 1 330 . 1 1 33 33 LEU HD12 H 1 0.06 0.02 . 1 . . . A 128 LEU HD12 . 25241 1 331 . 1 1 33 33 LEU HD13 H 1 0.06 0.02 . 1 . . . A 128 LEU HD13 . 25241 1 332 . 1 1 33 33 LEU HD21 H 1 0.79 0.02 . 1 . . . A 128 LEU HD21 . 25241 1 333 . 1 1 33 33 LEU HD22 H 1 0.79 0.02 . 1 . . . A 128 LEU HD22 . 25241 1 334 . 1 1 33 33 LEU HD23 H 1 0.79 0.02 . 1 . . . A 128 LEU HD23 . 25241 1 335 . 1 1 33 33 LEU C C 13 179.90 0.05 . 1 . . . A 128 LEU C . 25241 1 336 . 1 1 33 33 LEU CA C 13 58.34 0.05 . 1 . . . A 128 LEU CA . 25241 1 337 . 1 1 33 33 LEU CB C 13 41.98 0.05 . 1 . . . A 128 LEU CB . 25241 1 338 . 1 1 33 33 LEU CG C 13 26.77 0.05 . 1 . . . A 128 LEU CG . 25241 1 339 . 1 1 33 33 LEU CD1 C 13 24.97 0.05 . 1 . . . A 128 LEU CD1 . 25241 1 340 . 1 1 33 33 LEU CD2 C 13 23.27 0.05 . 1 . . . A 128 LEU CD2 . 25241 1 341 . 1 1 33 33 LEU N N 15 122.84 0.05 . 1 . . . A 128 LEU N . 25241 1 342 . 1 1 34 34 LEU H H 1 8.30 0.02 . 1 . . . A 129 LEU H . 25241 1 343 . 1 1 34 34 LEU HA H 1 3.82 0.02 . 1 . . . A 129 LEU HA . 25241 1 344 . 1 1 34 34 LEU HB2 H 1 1.92 0.02 . 1 . . . A 129 LEU HB2 . 25241 1 345 . 1 1 34 34 LEU HB3 H 1 1.43 0.02 . 1 . . . A 129 LEU HB3 . 25241 1 346 . 1 1 34 34 LEU HG H 1 1.73 0.02 . 1 . . . A 129 LEU HG . 25241 1 347 . 1 1 34 34 LEU HD11 H 1 0.91 0.02 . 1 . . . A 129 LEU HD11 . 25241 1 348 . 1 1 34 34 LEU HD12 H 1 0.91 0.02 . 1 . . . A 129 LEU HD12 . 25241 1 349 . 1 1 34 34 LEU HD13 H 1 0.91 0.02 . 1 . . . A 129 LEU HD13 . 25241 1 350 . 1 1 34 34 LEU HD21 H 1 0.68 0.02 . 1 . . . A 129 LEU HD21 . 25241 1 351 . 1 1 34 34 LEU HD22 H 1 0.68 0.02 . 1 . . . A 129 LEU HD22 . 25241 1 352 . 1 1 34 34 LEU HD23 H 1 0.68 0.02 . 1 . . . A 129 LEU HD23 . 25241 1 353 . 1 1 34 34 LEU C C 13 180.68 0.05 . 1 . . . A 129 LEU C . 25241 1 354 . 1 1 34 34 LEU CA C 13 58.37 0.05 . 1 . . . A 129 LEU CA . 25241 1 355 . 1 1 34 34 LEU CB C 13 40.87 0.05 . 1 . . . A 129 LEU CB . 25241 1 356 . 1 1 34 34 LEU CG C 13 27.68 0.05 . 1 . . . A 129 LEU CG . 25241 1 357 . 1 1 34 34 LEU CD1 C 13 26.10 0.05 . 1 . . . A 129 LEU CD1 . 25241 1 358 . 1 1 34 34 LEU CD2 C 13 22.61 0.05 . 1 . . . A 129 LEU CD2 . 25241 1 359 . 1 1 34 34 LEU N N 15 119.21 0.05 . 1 . . . A 129 LEU N . 25241 1 360 . 1 1 35 35 GLN H H 1 8.04 0.02 . 1 . . . A 130 GLN H . 25241 1 361 . 1 1 35 35 GLN HA H 1 4.04 0.02 . 1 . . . A 130 GLN HA . 25241 1 362 . 1 1 35 35 GLN HB2 H 1 2.15 0.02 . 1 . . . A 130 GLN HB2 . 25241 1 363 . 1 1 35 35 GLN HB3 H 1 2.15 0.02 . 1 . . . A 130 GLN HB3 . 25241 1 364 . 1 1 35 35 GLN HG2 H 1 2.41 0.02 . 1 . . . A 130 GLN HG2 . 25241 1 365 . 1 1 35 35 GLN HG3 H 1 2.41 0.02 . 1 . . . A 130 GLN HG3 . 25241 1 366 . 1 1 35 35 GLN C C 13 177.16 0.05 . 1 . . . A 130 GLN C . 25241 1 367 . 1 1 35 35 GLN CA C 13 58.58 0.05 . 1 . . . A 130 GLN CA . 25241 1 368 . 1 1 35 35 GLN CB C 13 28.87 0.05 . 1 . . . A 130 GLN CB . 25241 1 369 . 1 1 35 35 GLN CG C 13 34.02 0.05 . 1 . . . A 130 GLN CG . 25241 1 370 . 1 1 35 35 GLN N N 15 121.11 0.05 . 1 . . . A 130 GLN N . 25241 1 371 . 1 1 36 36 SER H H 1 7.55 0.02 . 1 . . . A 131 SER H . 25241 1 372 . 1 1 36 36 SER HA H 1 4.37 0.02 . 1 . . . A 131 SER HA . 25241 1 373 . 1 1 36 36 SER HB2 H 1 3.89 0.02 . 1 . . . A 131 SER HB2 . 25241 1 374 . 1 1 36 36 SER HB3 H 1 3.99 0.02 . 1 . . . A 131 SER HB3 . 25241 1 375 . 1 1 36 36 SER C C 13 171.79 0.05 . 1 . . . A 131 SER C . 25241 1 376 . 1 1 36 36 SER CA C 13 58.07 0.05 . 1 . . . A 131 SER CA . 25241 1 377 . 1 1 36 36 SER CB C 13 63.83 0.05 . 1 . . . A 131 SER CB . 25241 1 378 . 1 1 36 36 SER N N 15 112.19 0.05 . 1 . . . A 131 SER N . 25241 1 379 . 1 1 37 37 ASN H H 1 7.64 0.02 . 1 . . . A 132 ASN H . 25241 1 380 . 1 1 37 37 ASN HA H 1 4.18 0.02 . 1 . . . A 132 ASN HA . 25241 1 381 . 1 1 37 37 ASN HB2 H 1 2.97 0.02 . 2 . . . A 132 ASN HB2 . 25241 1 382 . 1 1 37 37 ASN HB3 H 1 2.63 0.02 . 2 . . . A 132 ASN HB3 . 25241 1 383 . 1 1 37 37 ASN C C 13 173.08 0.05 . 1 . . . A 132 ASN C . 25241 1 384 . 1 1 37 37 ASN CA C 13 53.93 0.05 . 1 . . . A 132 ASN CA . 25241 1 385 . 1 1 37 37 ASN CB C 13 36.33 0.05 . 1 . . . A 132 ASN CB . 25241 1 386 . 1 1 37 37 ASN N N 15 112.66 0.05 . 1 . . . A 132 ASN N . 25241 1 387 . 1 1 38 38 TYR H H 1 8.30 0.02 . 1 . . . A 133 TYR H . 25241 1 388 . 1 1 38 38 TYR HA H 1 5.18 0.02 . 1 . . . A 133 TYR HA . 25241 1 389 . 1 1 38 38 TYR HB2 H 1 2.58 0.02 . 1 . . . A 133 TYR HB2 . 25241 1 390 . 1 1 38 38 TYR HB3 H 1 3.08 0.02 . 1 . . . A 133 TYR HB3 . 25241 1 391 . 1 1 38 38 TYR HD1 H 1 6.81 0.02 . 1 . . . A 133 TYR HD1 . 25241 1 392 . 1 1 38 38 TYR HD2 H 1 6.81 0.02 . 1 . . . A 133 TYR HD2 . 25241 1 393 . 1 1 38 38 TYR HE1 H 1 6.71 0.02 . 1 . . . A 133 TYR HE1 . 25241 1 394 . 1 1 38 38 TYR HE2 H 1 6.71 0.02 . 1 . . . A 133 TYR HE2 . 25241 1 395 . 1 1 38 38 TYR CA C 13 54.80 0.05 . 1 . . . A 133 TYR CA . 25241 1 396 . 1 1 38 38 TYR CB C 13 38.99 0.05 . 1 . . . A 133 TYR CB . 25241 1 397 . 1 1 38 38 TYR CD1 C 13 132.78 0.05 . 1 . . . A 133 TYR CD1 . 25241 1 398 . 1 1 38 38 TYR CD2 C 13 132.78 0.05 . 1 . . . A 133 TYR CD2 . 25241 1 399 . 1 1 38 38 TYR CE1 C 13 118.03 0.05 . 1 . . . A 133 TYR CE1 . 25241 1 400 . 1 1 38 38 TYR CE2 C 13 118.03 0.05 . 1 . . . A 133 TYR CE2 . 25241 1 401 . 1 1 38 38 TYR N N 15 114.58 0.05 . 1 . . . A 133 TYR N . 25241 1 402 . 1 1 39 39 PRO HA H 1 4.02 0.02 . 1 . . . A 134 PRO HA . 25241 1 403 . 1 1 39 39 PRO HB2 H 1 2.15 0.02 . 2 . . . A 134 PRO HB2 . 25241 1 404 . 1 1 39 39 PRO HB3 H 1 1.82 0.02 . 2 . . . A 134 PRO HB3 . 25241 1 405 . 1 1 39 39 PRO HG2 H 1 1.91 0.02 . 2 . . . A 134 PRO HG2 . 25241 1 406 . 1 1 39 39 PRO HG3 H 1 1.88 0.02 . 2 . . . A 134 PRO HG3 . 25241 1 407 . 1 1 39 39 PRO HD2 H 1 3.78 0.02 . 1 . . . A 134 PRO HD2 . 25241 1 408 . 1 1 39 39 PRO HD3 H 1 3.16 0.02 . 1 . . . A 134 PRO HD3 . 25241 1 409 . 1 1 39 39 PRO CA C 13 65.56 0.05 . 1 . . . A 134 PRO CA . 25241 1 410 . 1 1 39 39 PRO CB C 13 31.81 0.05 . 1 . . . A 134 PRO CB . 25241 1 411 . 1 1 39 39 PRO CG C 13 27.65 0.05 . 1 . . . A 134 PRO CG . 25241 1 412 . 1 1 39 39 PRO CD C 13 50.05 0.05 . 1 . . . A 134 PRO CD . 25241 1 413 . 1 1 40 40 GLN HA H 1 3.86 0.02 . 1 . . . A 135 GLN HA . 25241 1 414 . 1 1 40 40 GLN HB2 H 1 1.99 0.02 . 1 . . . A 135 GLN HB2 . 25241 1 415 . 1 1 40 40 GLN HB3 H 1 1.99 0.02 . 1 . . . A 135 GLN HB3 . 25241 1 416 . 1 1 40 40 GLN HG2 H 1 2.32 0.02 . 2 . . . A 135 GLN HG2 . 25241 1 417 . 1 1 40 40 GLN HG3 H 1 2.01 0.02 . 2 . . . A 135 GLN HG3 . 25241 1 418 . 1 1 40 40 GLN C C 13 177.59 0.05 . 1 . . . A 135 GLN C . 25241 1 419 . 1 1 40 40 GLN CA C 13 58.74 0.05 . 1 . . . A 135 GLN CA . 25241 1 420 . 1 1 40 40 GLN CB C 13 26.86 0.05 . 1 . . . A 135 GLN CB . 25241 1 421 . 1 1 40 40 GLN CG C 13 32.80 0.05 . 1 . . . A 135 GLN CG . 25241 1 422 . 1 1 41 41 TYR H H 1 7.19 0.02 . 1 . . . A 136 TYR H . 25241 1 423 . 1 1 41 41 TYR HA H 1 4.74 0.02 . 1 . . . A 136 TYR HA . 25241 1 424 . 1 1 41 41 TYR HB2 H 1 2.98 0.02 . 1 . . . A 136 TYR HB2 . 25241 1 425 . 1 1 41 41 TYR HB3 H 1 3.10 0.02 . 1 . . . A 136 TYR HB3 . 25241 1 426 . 1 1 41 41 TYR HD1 H 1 6.89 0.02 . 1 . . . A 136 TYR HD1 . 25241 1 427 . 1 1 41 41 TYR HD2 H 1 6.89 0.02 . 1 . . . A 136 TYR HD2 . 25241 1 428 . 1 1 41 41 TYR HE1 H 1 6.57 0.02 . 1 . . . A 136 TYR HE1 . 25241 1 429 . 1 1 41 41 TYR HE2 H 1 6.57 0.02 . 1 . . . A 136 TYR HE2 . 25241 1 430 . 1 1 41 41 TYR C C 13 178.36 0.05 . 1 . . . A 136 TYR C . 25241 1 431 . 1 1 41 41 TYR CA C 13 57.80 0.05 . 1 . . . A 136 TYR CA . 25241 1 432 . 1 1 41 41 TYR CB C 13 37.61 0.05 . 1 . . . A 136 TYR CB . 25241 1 433 . 1 1 41 41 TYR CD1 C 13 131.57 0.05 . 1 . . . A 136 TYR CD1 . 25241 1 434 . 1 1 41 41 TYR CD2 C 13 131.57 0.05 . 1 . . . A 136 TYR CD2 . 25241 1 435 . 1 1 41 41 TYR CE1 C 13 118.69 0.05 . 1 . . . A 136 TYR CE1 . 25241 1 436 . 1 1 41 41 TYR CE2 C 13 118.69 0.05 . 1 . . . A 136 TYR CE2 . 25241 1 437 . 1 1 41 41 TYR N N 15 119.77 0.05 . 1 . . . A 136 TYR N . 25241 1 438 . 1 1 42 42 VAL H H 1 7.09 0.02 . 1 . . . A 137 VAL H . 25241 1 439 . 1 1 42 42 VAL HA H 1 3.38 0.02 . 1 . . . A 137 VAL HA . 25241 1 440 . 1 1 42 42 VAL HB H 1 2.19 0.02 . 1 . . . A 137 VAL HB . 25241 1 441 . 1 1 42 42 VAL HG11 H 1 0.25 0.02 . 1 . . . A 137 VAL HG11 . 25241 1 442 . 1 1 42 42 VAL HG12 H 1 0.25 0.02 . 1 . . . A 137 VAL HG12 . 25241 1 443 . 1 1 42 42 VAL HG13 H 1 0.25 0.02 . 1 . . . A 137 VAL HG13 . 25241 1 444 . 1 1 42 42 VAL HG21 H 1 0.96 0.02 . 1 . . . A 137 VAL HG21 . 25241 1 445 . 1 1 42 42 VAL HG22 H 1 0.96 0.02 . 1 . . . A 137 VAL HG22 . 25241 1 446 . 1 1 42 42 VAL HG23 H 1 0.96 0.02 . 1 . . . A 137 VAL HG23 . 25241 1 447 . 1 1 42 42 VAL C C 13 176.30 0.05 . 1 . . . A 137 VAL C . 25241 1 448 . 1 1 42 42 VAL CA C 13 65.84 0.05 . 1 . . . A 137 VAL CA . 25241 1 449 . 1 1 42 42 VAL CB C 13 31.21 0.05 . 1 . . . A 137 VAL CB . 25241 1 450 . 1 1 42 42 VAL CG1 C 13 19.24 0.05 . 1 . . . A 137 VAL CG1 . 25241 1 451 . 1 1 42 42 VAL CG2 C 13 23.73 0.05 . 1 . . . A 137 VAL CG2 . 25241 1 452 . 1 1 42 42 VAL N N 15 120.15 0.05 . 1 . . . A 137 VAL N . 25241 1 453 . 1 1 43 43 VAL H H 1 7.04 0.02 . 1 . . . A 138 VAL H . 25241 1 454 . 1 1 43 43 VAL HA H 1 3.55 0.02 . 1 . . . A 138 VAL HA . 25241 1 455 . 1 1 43 43 VAL HB H 1 1.99 0.02 . 1 . . . A 138 VAL HB . 25241 1 456 . 1 1 43 43 VAL HG11 H 1 0.93 0.02 . 1 . . . A 138 VAL HG11 . 25241 1 457 . 1 1 43 43 VAL HG12 H 1 0.93 0.02 . 1 . . . A 138 VAL HG12 . 25241 1 458 . 1 1 43 43 VAL HG13 H 1 0.93 0.02 . 1 . . . A 138 VAL HG13 . 25241 1 459 . 1 1 43 43 VAL HG21 H 1 0.79 0.02 . 1 . . . A 138 VAL HG21 . 25241 1 460 . 1 1 43 43 VAL HG22 H 1 0.79 0.02 . 1 . . . A 138 VAL HG22 . 25241 1 461 . 1 1 43 43 VAL HG23 H 1 0.79 0.02 . 1 . . . A 138 VAL HG23 . 25241 1 462 . 1 1 43 43 VAL C C 13 176.59 0.05 . 1 . . . A 138 VAL C . 25241 1 463 . 1 1 43 43 VAL CA C 13 66.89 0.05 . 1 . . . A 138 VAL CA . 25241 1 464 . 1 1 43 43 VAL CB C 13 32.06 0.05 . 1 . . . A 138 VAL CB . 25241 1 465 . 1 1 43 43 VAL CG1 C 13 20.98 0.05 . 1 . . . A 138 VAL CG1 . 25241 1 466 . 1 1 43 43 VAL CG2 C 13 22.62 0.05 . 1 . . . A 138 VAL CG2 . 25241 1 467 . 1 1 43 43 VAL N N 15 116.79 0.05 . 1 . . . A 138 VAL N . 25241 1 468 . 1 1 44 44 SER H H 1 7.81 0.02 . 1 . . . A 139 SER H . 25241 1 469 . 1 1 44 44 SER HA H 1 4.12 0.02 . 1 . . . A 139 SER HA . 25241 1 470 . 1 1 44 44 SER HB2 H 1 3.86 0.02 . 1 . . . A 139 SER HB2 . 25241 1 471 . 1 1 44 44 SER HB3 H 1 3.86 0.02 . 1 . . . A 139 SER HB3 . 25241 1 472 . 1 1 44 44 SER C C 13 177.27 0.05 . 1 . . . A 139 SER C . 25241 1 473 . 1 1 44 44 SER CA C 13 61.08 0.05 . 1 . . . A 139 SER CA . 25241 1 474 . 1 1 44 44 SER CB C 13 62.60 0.05 . 1 . . . A 139 SER CB . 25241 1 475 . 1 1 44 44 SER N N 15 110.51 0.05 . 1 . . . A 139 SER N . 25241 1 476 . 1 1 45 45 ARG H H 1 7.68 0.02 . 1 . . . A 140 ARG H . 25241 1 477 . 1 1 45 45 ARG HA H 1 4.06 0.02 . 1 . . . A 140 ARG HA . 25241 1 478 . 1 1 45 45 ARG HB2 H 1 2.10 0.02 . 1 . . . A 140 ARG HB2 . 25241 1 479 . 1 1 45 45 ARG HB3 H 1 2.07 0.02 . 1 . . . A 140 ARG HB3 . 25241 1 480 . 1 1 45 45 ARG HG2 H 1 2.03 0.02 . 2 . . . A 140 ARG HG2 . 25241 1 481 . 1 1 45 45 ARG HG3 H 1 1.76 0.02 . 2 . . . A 140 ARG HG3 . 25241 1 482 . 1 1 45 45 ARG HD2 H 1 3.61 0.02 . 2 . . . A 140 ARG HD2 . 25241 1 483 . 1 1 45 45 ARG HD3 H 1 3.37 0.02 . 2 . . . A 140 ARG HD3 . 25241 1 484 . 1 1 45 45 ARG C C 13 177.25 0.05 . 1 . . . A 140 ARG C . 25241 1 485 . 1 1 45 45 ARG CA C 13 60.20 0.05 . 1 . . . A 140 ARG CA . 25241 1 486 . 1 1 45 45 ARG CB C 13 30.13 0.05 . 1 . . . A 140 ARG CB . 25241 1 487 . 1 1 45 45 ARG CG C 13 29.80 0.05 . 1 . . . A 140 ARG CG . 25241 1 488 . 1 1 45 45 ARG CD C 13 43.55 0.05 . 1 . . . A 140 ARG CD . 25241 1 489 . 1 1 45 45 ARG N N 15 122.49 0.05 . 1 . . . A 140 ARG N . 25241 1 490 . 1 1 46 46 PHE H H 1 8.73 0.02 . 1 . . . A 141 PHE H . 25241 1 491 . 1 1 46 46 PHE HA H 1 3.86 0.02 . 1 . . . A 141 PHE HA . 25241 1 492 . 1 1 46 46 PHE HB2 H 1 2.59 0.02 . 1 . . . A 141 PHE HB2 . 25241 1 493 . 1 1 46 46 PHE HB3 H 1 2.59 0.02 . 1 . . . A 141 PHE HB3 . 25241 1 494 . 1 1 46 46 PHE HD1 H 1 6.22 0.02 . 1 . . . A 141 PHE HD1 . 25241 1 495 . 1 1 46 46 PHE HD2 H 1 6.22 0.02 . 1 . . . A 141 PHE HD2 . 25241 1 496 . 1 1 46 46 PHE HE1 H 1 6.72 0.02 . 1 . . . A 141 PHE HE1 . 25241 1 497 . 1 1 46 46 PHE HE2 H 1 6.72 0.02 . 1 . . . A 141 PHE HE2 . 25241 1 498 . 1 1 46 46 PHE HZ H 1 6.89 0.02 . 1 . . . A 141 PHE HZ . 25241 1 499 . 1 1 46 46 PHE C C 13 177.66 0.05 . 1 . . . A 141 PHE C . 25241 1 500 . 1 1 46 46 PHE CA C 13 61.64 0.05 . 1 . . . A 141 PHE CA . 25241 1 501 . 1 1 46 46 PHE CB C 13 40.07 0.05 . 1 . . . A 141 PHE CB . 25241 1 502 . 1 1 46 46 PHE CD1 C 13 131.63 0.05 . 1 . . . A 141 PHE CD1 . 25241 1 503 . 1 1 46 46 PHE CD2 C 13 131.63 0.05 . 1 . . . A 141 PHE CD2 . 25241 1 504 . 1 1 46 46 PHE CE1 C 13 130.11 0.05 . 1 . . . A 141 PHE CE1 . 25241 1 505 . 1 1 46 46 PHE CE2 C 13 130.11 0.05 . 1 . . . A 141 PHE CE2 . 25241 1 506 . 1 1 46 46 PHE CZ C 13 131.57 0.05 . 1 . . . A 141 PHE CZ . 25241 1 507 . 1 1 46 46 PHE N N 15 119.58 0.05 . 1 . . . A 141 PHE N . 25241 1 508 . 1 1 47 47 GLU H H 1 7.39 0.02 . 1 . . . A 142 GLU H . 25241 1 509 . 1 1 47 47 GLU HA H 1 3.95 0.02 . 1 . . . A 142 GLU HA . 25241 1 510 . 1 1 47 47 GLU HB2 H 1 1.89 0.02 . 1 . . . A 142 GLU HB2 . 25241 1 511 . 1 1 47 47 GLU HB3 H 1 2.28 0.02 . 1 . . . A 142 GLU HB3 . 25241 1 512 . 1 1 47 47 GLU HG2 H 1 2.95 0.02 . 2 . . . A 142 GLU HG2 . 25241 1 513 . 1 1 47 47 GLU HG3 H 1 2.34 0.02 . 2 . . . A 142 GLU HG3 . 25241 1 514 . 1 1 47 47 GLU C C 13 176.44 0.05 . 1 . . . A 142 GLU C . 25241 1 515 . 1 1 47 47 GLU CA C 13 56.15 0.05 . 1 . . . A 142 GLU CA . 25241 1 516 . 1 1 47 47 GLU CB C 13 29.52 0.05 . 1 . . . A 142 GLU CB . 25241 1 517 . 1 1 47 47 GLU CG C 13 36.33 0.05 . 1 . . . A 142 GLU CG . 25241 1 518 . 1 1 47 47 GLU N N 15 112.17 0.05 . 1 . . . A 142 GLU N . 25241 1 519 . 1 1 48 48 THR H H 1 7.84 0.02 . 1 . . . A 143 THR H . 25241 1 520 . 1 1 48 48 THR HA H 1 4.34 0.02 . 1 . . . A 143 THR HA . 25241 1 521 . 1 1 48 48 THR HB H 1 4.53 0.02 . 1 . . . A 143 THR HB . 25241 1 522 . 1 1 48 48 THR HG1 H 1 5.32 0.02 . 1 . . . A 143 THR HG1 . 25241 1 523 . 1 1 48 48 THR HG21 H 1 1.21 0.02 . 1 . . . A 143 THR HG21 . 25241 1 524 . 1 1 48 48 THR HG22 H 1 1.21 0.02 . 1 . . . A 143 THR HG22 . 25241 1 525 . 1 1 48 48 THR HG23 H 1 1.21 0.02 . 1 . . . A 143 THR HG23 . 25241 1 526 . 1 1 48 48 THR CA C 13 61.90 0.05 . 1 . . . A 143 THR CA . 25241 1 527 . 1 1 48 48 THR CB C 13 69.70 0.05 . 1 . . . A 143 THR CB . 25241 1 528 . 1 1 48 48 THR CG2 C 13 19.11 0.05 . 1 . . . A 143 THR CG2 . 25241 1 529 . 1 1 48 48 THR N N 15 121.89 0.05 . 1 . . . A 143 THR N . 25241 1 530 . 1 1 49 49 PRO HA H 1 4.17 0.02 . 1 . . . A 144 PRO HA . 25241 1 531 . 1 1 49 49 PRO HB2 H 1 2.23 0.02 . 2 . . . A 144 PRO HB2 . 25241 1 532 . 1 1 49 49 PRO HB3 H 1 1.79 0.02 . 2 . . . A 144 PRO HB3 . 25241 1 533 . 1 1 49 49 PRO HG2 H 1 2.06 0.02 . 2 . . . A 144 PRO HG2 . 25241 1 534 . 1 1 49 49 PRO HG3 H 1 1.92 0.02 . 2 . . . A 144 PRO HG3 . 25241 1 535 . 1 1 49 49 PRO HD2 H 1 3.66 0.02 . 1 . . . A 144 PRO HD2 . 25241 1 536 . 1 1 49 49 PRO HD3 H 1 4.12 0.02 . 1 . . . A 144 PRO HD3 . 25241 1 537 . 1 1 49 49 PRO CA C 13 63.51 0.05 . 1 . . . A 144 PRO CA . 25241 1 538 . 1 1 49 49 PRO CB C 13 31.81 0.05 . 1 . . . A 144 PRO CB . 25241 1 539 . 1 1 49 49 PRO CG C 13 27.74 0.05 . 1 . . . A 144 PRO CG . 25241 1 540 . 1 1 49 49 PRO CD C 13 51.29 0.05 . 1 . . . A 144 PRO CD . 25241 1 541 . 1 1 50 50 GLY HA2 H 1 4.07 0.02 . 2 . . . A 145 GLY HA2 . 25241 1 542 . 1 1 50 50 GLY HA3 H 1 3.44 0.02 . 2 . . . A 145 GLY HA3 . 25241 1 543 . 1 1 50 50 GLY C C 13 173.78 0.05 . 1 . . . A 145 GLY C . 25241 1 544 . 1 1 50 50 GLY CA C 13 44.87 0.05 . 1 . . . A 145 GLY CA . 25241 1 545 . 1 1 51 51 ILE H H 1 7.00 0.02 . 1 . . . A 146 ILE H . 25241 1 546 . 1 1 51 51 ILE HA H 1 4.03 0.02 . 1 . . . A 146 ILE HA . 25241 1 547 . 1 1 51 51 ILE HB H 1 1.84 0.02 . 1 . . . A 146 ILE HB . 25241 1 548 . 1 1 51 51 ILE HG12 H 1 1.51 0.02 . 2 . . . A 146 ILE HG12 . 25241 1 549 . 1 1 51 51 ILE HG13 H 1 1.06 0.02 . 2 . . . A 146 ILE HG13 . 25241 1 550 . 1 1 51 51 ILE HG21 H 1 0.85 0.02 . 1 . . . A 146 ILE HG21 . 25241 1 551 . 1 1 51 51 ILE HG22 H 1 0.85 0.02 . 1 . . . A 146 ILE HG22 . 25241 1 552 . 1 1 51 51 ILE HG23 H 1 0.85 0.02 . 1 . . . A 146 ILE HG23 . 25241 1 553 . 1 1 51 51 ILE HD11 H 1 0.76 0.02 . 1 . . . A 146 ILE HD11 . 25241 1 554 . 1 1 51 51 ILE HD12 H 1 0.76 0.02 . 1 . . . A 146 ILE HD12 . 25241 1 555 . 1 1 51 51 ILE HD13 H 1 0.76 0.02 . 1 . . . A 146 ILE HD13 . 25241 1 556 . 1 1 51 51 ILE C C 13 176.38 0.05 . 1 . . . A 146 ILE C . 25241 1 557 . 1 1 51 51 ILE CA C 13 60.98 0.05 . 1 . . . A 146 ILE CA . 25241 1 558 . 1 1 51 51 ILE CB C 13 36.22 0.05 . 1 . . . A 146 ILE CB . 25241 1 559 . 1 1 51 51 ILE CG1 C 13 27.59 0.05 . 1 . . . A 146 ILE CG1 . 25241 1 560 . 1 1 51 51 ILE CG2 C 13 16.92 0.05 . 1 . . . A 146 ILE CG2 . 25241 1 561 . 1 1 51 51 ILE CD1 C 13 11.69 0.05 . 1 . . . A 146 ILE CD1 . 25241 1 562 . 1 1 51 51 ILE N N 15 120.79 0.05 . 1 . . . A 146 ILE N . 25241 1 563 . 1 1 52 52 ALA H H 1 8.11 0.02 . 1 . . . A 147 ALA H . 25241 1 564 . 1 1 52 52 ALA HA H 1 4.03 0.02 . 1 . . . A 147 ALA HA . 25241 1 565 . 1 1 52 52 ALA HB1 H 1 1.20 0.02 . 1 . . . A 147 ALA HB1 . 25241 1 566 . 1 1 52 52 ALA HB2 H 1 1.20 0.02 . 1 . . . A 147 ALA HB2 . 25241 1 567 . 1 1 52 52 ALA HB3 H 1 1.20 0.02 . 1 . . . A 147 ALA HB3 . 25241 1 568 . 1 1 52 52 ALA C C 13 175.47 0.05 . 1 . . . A 147 ALA C . 25241 1 569 . 1 1 52 52 ALA CA C 13 53.42 0.05 . 1 . . . A 147 ALA CA . 25241 1 570 . 1 1 52 52 ALA CB C 13 20.47 0.05 . 1 . . . A 147 ALA CB . 25241 1 571 . 1 1 52 52 ALA N N 15 132.19 0.05 . 1 . . . A 147 ALA N . 25241 1 572 . 1 1 53 53 SER H H 1 8.15 0.02 . 1 . . . A 148 SER H . 25241 1 573 . 1 1 53 53 SER HA H 1 4.94 0.02 . 1 . . . A 148 SER HA . 25241 1 574 . 1 1 53 53 SER HB2 H 1 3.62 0.02 . 1 . . . A 148 SER HB2 . 25241 1 575 . 1 1 53 53 SER HB3 H 1 3.58 0.02 . 1 . . . A 148 SER HB3 . 25241 1 576 . 1 1 53 53 SER C C 13 172.19 0.05 . 1 . . . A 148 SER C . 25241 1 577 . 1 1 53 53 SER CA C 13 55.48 0.05 . 1 . . . A 148 SER CA . 25241 1 578 . 1 1 53 53 SER CB C 13 65.36 0.05 . 1 . . . A 148 SER CB . 25241 1 579 . 1 1 53 53 SER N N 15 111.10 0.05 . 1 . . . A 148 SER N . 25241 1 580 . 1 1 54 54 SER H H 1 7.84 0.02 . 1 . . . A 149 SER H . 25241 1 581 . 1 1 54 54 SER HA H 1 4.95 0.02 . 1 . . . A 149 SER HA . 25241 1 582 . 1 1 54 54 SER HB2 H 1 4.37 0.02 . 1 . . . A 149 SER HB2 . 25241 1 583 . 1 1 54 54 SER HB3 H 1 4.03 0.02 . 1 . . . A 149 SER HB3 . 25241 1 584 . 1 1 54 54 SER CA C 13 56.01 0.05 . 1 . . . A 149 SER CA . 25241 1 585 . 1 1 54 54 SER CB C 13 62.72 0.05 . 1 . . . A 149 SER CB . 25241 1 586 . 1 1 54 54 SER N N 15 113.18 0.05 . 1 . . . A 149 SER N . 25241 1 587 . 1 1 55 55 PRO HA H 1 4.29 0.02 . 1 . . . A 150 PRO HA . 25241 1 588 . 1 1 55 55 PRO HB2 H 1 2.24 0.02 . 2 . . . A 150 PRO HB2 . 25241 1 589 . 1 1 55 55 PRO HB3 H 1 1.92 0.02 . 2 . . . A 150 PRO HB3 . 25241 1 590 . 1 1 55 55 PRO HG2 H 1 2.13 0.02 . 2 . . . A 150 PRO HG2 . 25241 1 591 . 1 1 55 55 PRO HG3 H 1 1.76 0.02 . 2 . . . A 150 PRO HG3 . 25241 1 592 . 1 1 55 55 PRO HD2 H 1 3.90 0.02 . 1 . . . A 150 PRO HD2 . 25241 1 593 . 1 1 55 55 PRO HD3 H 1 3.81 0.02 . 1 . . . A 150 PRO HD3 . 25241 1 594 . 1 1 55 55 PRO CA C 13 66.49 0.05 . 1 . . . A 150 PRO CA . 25241 1 595 . 1 1 55 55 PRO CB C 13 31.44 0.05 . 1 . . . A 150 PRO CB . 25241 1 596 . 1 1 55 55 PRO CG C 13 28.19 0.05 . 1 . . . A 150 PRO CG . 25241 1 597 . 1 1 55 55 PRO CD C 13 50.39 0.05 . 1 . . . A 150 PRO CD . 25241 1 598 . 1 1 56 56 GLU HA H 1 4.09 0.02 . 1 . . . A 151 GLU HA . 25241 1 599 . 1 1 56 56 GLU HB2 H 1 2.04 0.02 . 2 . . . A 151 GLU HB2 . 25241 1 600 . 1 1 56 56 GLU HB3 H 1 1.84 0.02 . 2 . . . A 151 GLU HB3 . 25241 1 601 . 1 1 56 56 GLU HG2 H 1 2.31 0.02 . 2 . . . A 151 GLU HG2 . 25241 1 602 . 1 1 56 56 GLU HG3 H 1 2.21 0.02 . 2 . . . A 151 GLU HG3 . 25241 1 603 . 1 1 56 56 GLU C C 13 179.37 0.05 . 1 . . . A 151 GLU C . 25241 1 604 . 1 1 56 56 GLU CA C 13 59.68 0.05 . 1 . . . A 151 GLU CA . 25241 1 605 . 1 1 56 56 GLU CB C 13 29.89 0.05 . 1 . . . A 151 GLU CB . 25241 1 606 . 1 1 56 56 GLU CG C 13 36.42 0.05 . 1 . . . A 151 GLU CG . 25241 1 607 . 1 1 57 57 CYS H H 1 7.71 0.02 . 1 . . . A 152 CYS H . 25241 1 608 . 1 1 57 57 CYS HA H 1 4.24 0.02 . 1 . . . A 152 CYS HA . 25241 1 609 . 1 1 57 57 CYS HB2 H 1 3.56 0.02 . 1 . . . A 152 CYS HB2 . 25241 1 610 . 1 1 57 57 CYS HB3 H 1 3.37 0.02 . 1 . . . A 152 CYS HB3 . 25241 1 611 . 1 1 57 57 CYS C C 13 176.56 0.05 . 1 . . . A 152 CYS C . 25241 1 612 . 1 1 57 57 CYS CA C 13 65.17 0.05 . 1 . . . A 152 CYS CA . 25241 1 613 . 1 1 57 57 CYS CB C 13 28.36 0.05 . 1 . . . A 152 CYS CB . 25241 1 614 . 1 1 57 57 CYS N N 15 116.52 0.05 . 1 . . . A 152 CYS N . 25241 1 615 . 1 1 58 58 MET H H 1 8.49 0.02 . 1 . . . A 153 MET H . 25241 1 616 . 1 1 58 58 MET HA H 1 3.88 0.02 . 1 . . . A 153 MET HA . 25241 1 617 . 1 1 58 58 MET HB2 H 1 2.41 0.02 . 1 . . . A 153 MET HB2 . 25241 1 618 . 1 1 58 58 MET HB3 H 1 2.08 0.02 . 1 . . . A 153 MET HB3 . 25241 1 619 . 1 1 58 58 MET HG2 H 1 2.70 0.02 . 2 . . . A 153 MET HG2 . 25241 1 620 . 1 1 58 58 MET HG3 H 1 2.62 0.02 . 2 . . . A 153 MET HG3 . 25241 1 621 . 1 1 58 58 MET HE1 H 1 2.09 0.02 . 1 . . . A 153 MET HE1 . 25241 1 622 . 1 1 58 58 MET HE2 H 1 2.09 0.02 . 1 . . . A 153 MET HE2 . 25241 1 623 . 1 1 58 58 MET HE3 H 1 2.09 0.02 . 1 . . . A 153 MET HE3 . 25241 1 624 . 1 1 58 58 MET C C 13 177.38 0.05 . 1 . . . A 153 MET C . 25241 1 625 . 1 1 58 58 MET CA C 13 59.50 0.05 . 1 . . . A 153 MET CA . 25241 1 626 . 1 1 58 58 MET CB C 13 32.78 0.05 . 1 . . . A 153 MET CB . 25241 1 627 . 1 1 58 58 MET CG C 13 33.01 0.05 . 1 . . . A 153 MET CG . 25241 1 628 . 1 1 58 58 MET CE C 13 17.09 0.05 . 1 . . . A 153 MET CE . 25241 1 629 . 1 1 58 58 MET N N 15 118.16 0.05 . 1 . . . A 153 MET N . 25241 1 630 . 1 1 59 59 GLU H H 1 8.15 0.02 . 1 . . . A 154 GLU H . 25241 1 631 . 1 1 59 59 GLU HA H 1 3.86 0.02 . 1 . . . A 154 GLU HA . 25241 1 632 . 1 1 59 59 GLU HB2 H 1 2.22 0.02 . 2 . . . A 154 GLU HB2 . 25241 1 633 . 1 1 59 59 GLU HB3 H 1 2.06 0.02 . 2 . . . A 154 GLU HB3 . 25241 1 634 . 1 1 59 59 GLU HG2 H 1 2.41 0.02 . 2 . . . A 154 GLU HG2 . 25241 1 635 . 1 1 59 59 GLU HG3 H 1 2.30 0.02 . 2 . . . A 154 GLU HG3 . 25241 1 636 . 1 1 59 59 GLU C C 13 179.26 0.05 . 1 . . . A 154 GLU C . 25241 1 637 . 1 1 59 59 GLU CA C 13 59.88 0.05 . 1 . . . A 154 GLU CA . 25241 1 638 . 1 1 59 59 GLU CB C 13 29.78 0.05 . 1 . . . A 154 GLU CB . 25241 1 639 . 1 1 59 59 GLU CG C 13 36.76 0.05 . 1 . . . A 154 GLU CG . 25241 1 640 . 1 1 59 59 GLU N N 15 119.66 0.05 . 1 . . . A 154 GLU N . 25241 1 641 . 1 1 60 60 LEU H H 1 7.58 0.02 . 1 . . . A 155 LEU H . 25241 1 642 . 1 1 60 60 LEU HA H 1 4.05 0.02 . 1 . . . A 155 LEU HA . 25241 1 643 . 1 1 60 60 LEU HB2 H 1 2.02 0.02 . 1 . . . A 155 LEU HB2 . 25241 1 644 . 1 1 60 60 LEU HB3 H 1 1.23 0.02 . 1 . . . A 155 LEU HB3 . 25241 1 645 . 1 1 60 60 LEU HG H 1 2.01 0.02 . 1 . . . A 155 LEU HG . 25241 1 646 . 1 1 60 60 LEU HD11 H 1 1.16 0.02 . 1 . . . A 155 LEU HD11 . 25241 1 647 . 1 1 60 60 LEU HD12 H 1 1.16 0.02 . 1 . . . A 155 LEU HD12 . 25241 1 648 . 1 1 60 60 LEU HD13 H 1 1.16 0.02 . 1 . . . A 155 LEU HD13 . 25241 1 649 . 1 1 60 60 LEU HD21 H 1 0.85 0.02 . 1 . . . A 155 LEU HD21 . 25241 1 650 . 1 1 60 60 LEU HD22 H 1 0.85 0.02 . 1 . . . A 155 LEU HD22 . 25241 1 651 . 1 1 60 60 LEU HD23 H 1 0.85 0.02 . 1 . . . A 155 LEU HD23 . 25241 1 652 . 1 1 60 60 LEU C C 13 177.76 0.05 . 1 . . . A 155 LEU C . 25241 1 653 . 1 1 60 60 LEU CA C 13 57.79 0.05 . 1 . . . A 155 LEU CA . 25241 1 654 . 1 1 60 60 LEU CB C 13 41.38 0.05 . 1 . . . A 155 LEU CB . 25241 1 655 . 1 1 60 60 LEU CG C 13 27.31 0.05 . 1 . . . A 155 LEU CG . 25241 1 656 . 1 1 60 60 LEU CD1 C 13 28.73 0.05 . 1 . . . A 155 LEU CD1 . 25241 1 657 . 1 1 60 60 LEU CD2 C 13 23.69 0.05 . 1 . . . A 155 LEU CD2 . 25241 1 658 . 1 1 60 60 LEU N N 15 121.91 0.05 . 1 . . . A 155 LEU N . 25241 1 659 . 1 1 61 61 TYR H H 1 8.13 0.02 . 1 . . . A 156 TYR H . 25241 1 660 . 1 1 61 61 TYR HA H 1 3.71 0.02 . 1 . . . A 156 TYR HA . 25241 1 661 . 1 1 61 61 TYR HB2 H 1 1.89 0.02 . 1 . . . A 156 TYR HB2 . 25241 1 662 . 1 1 61 61 TYR HB3 H 1 2.31 0.02 . 1 . . . A 156 TYR HB3 . 25241 1 663 . 1 1 61 61 TYR HD1 H 1 6.21 0.02 . 1 . . . A 156 TYR HD1 . 25241 1 664 . 1 1 61 61 TYR HD2 H 1 6.21 0.02 . 1 . . . A 156 TYR HD2 . 25241 1 665 . 1 1 61 61 TYR HE1 H 1 6.55 0.02 . 1 . . . A 156 TYR HE1 . 25241 1 666 . 1 1 61 61 TYR HE2 H 1 6.55 0.02 . 1 . . . A 156 TYR HE2 . 25241 1 667 . 1 1 61 61 TYR C C 13 176.13 0.05 . 1 . . . A 156 TYR C . 25241 1 668 . 1 1 61 61 TYR CA C 13 59.65 0.05 . 1 . . . A 156 TYR CA . 25241 1 669 . 1 1 61 61 TYR CB C 13 38.37 0.05 . 1 . . . A 156 TYR CB . 25241 1 670 . 1 1 61 61 TYR CD1 C 13 132.42 0.05 . 1 . . . A 156 TYR CD1 . 25241 1 671 . 1 1 61 61 TYR CD2 C 13 132.42 0.05 . 1 . . . A 156 TYR CD2 . 25241 1 672 . 1 1 61 61 TYR CE1 C 13 117.66 0.05 . 1 . . . A 156 TYR CE1 . 25241 1 673 . 1 1 61 61 TYR CE2 C 13 117.66 0.05 . 1 . . . A 156 TYR CE2 . 25241 1 674 . 1 1 61 61 TYR N N 15 121.32 0.05 . 1 . . . A 156 TYR N . 25241 1 675 . 1 1 62 62 MET H H 1 8.32 0.02 . 1 . . . A 157 MET H . 25241 1 676 . 1 1 62 62 MET HA H 1 3.43 0.02 . 1 . . . A 157 MET HA . 25241 1 677 . 1 1 62 62 MET HB2 H 1 2.20 0.02 . 1 . . . A 157 MET HB2 . 25241 1 678 . 1 1 62 62 MET HB3 H 1 2.09 0.02 . 1 . . . A 157 MET HB3 . 25241 1 679 . 1 1 62 62 MET HG2 H 1 2.57 0.02 . 2 . . . A 157 MET HG2 . 25241 1 680 . 1 1 62 62 MET HG3 H 1 2.24 0.02 . 2 . . . A 157 MET HG3 . 25241 1 681 . 1 1 62 62 MET HE1 H 1 1.99 0.02 . 1 . . . A 157 MET HE1 . 25241 1 682 . 1 1 62 62 MET HE2 H 1 1.99 0.02 . 1 . . . A 157 MET HE2 . 25241 1 683 . 1 1 62 62 MET HE3 H 1 1.99 0.02 . 1 . . . A 157 MET HE3 . 25241 1 684 . 1 1 62 62 MET C C 13 177.56 0.05 . 1 . . . A 157 MET C . 25241 1 685 . 1 1 62 62 MET CA C 13 59.59 0.05 . 1 . . . A 157 MET CA . 25241 1 686 . 1 1 62 62 MET CB C 13 32.83 0.05 . 1 . . . A 157 MET CB . 25241 1 687 . 1 1 62 62 MET CG C 13 31.41 0.05 . 1 . . . A 157 MET CG . 25241 1 688 . 1 1 62 62 MET CE C 13 16.75 0.05 . 1 . . . A 157 MET CE . 25241 1 689 . 1 1 62 62 MET N N 15 117.77 0.05 . 1 . . . A 157 MET N . 25241 1 690 . 1 1 63 63 GLU H H 1 7.56 0.02 . 1 . . . A 158 GLU H . 25241 1 691 . 1 1 63 63 GLU HA H 1 3.93 0.02 . 1 . . . A 158 GLU HA . 25241 1 692 . 1 1 63 63 GLU HB2 H 1 2.11 0.02 . 1 . . . A 158 GLU HB2 . 25241 1 693 . 1 1 63 63 GLU HB3 H 1 2.02 0.02 . 1 . . . A 158 GLU HB3 . 25241 1 694 . 1 1 63 63 GLU HG2 H 1 2.16 0.02 . 1 . . . A 158 GLU HG2 . 25241 1 695 . 1 1 63 63 GLU HG3 H 1 2.16 0.02 . 1 . . . A 158 GLU HG3 . 25241 1 696 . 1 1 63 63 GLU C C 13 178.31 0.05 . 1 . . . A 158 GLU C . 25241 1 697 . 1 1 63 63 GLU CA C 13 58.88 0.05 . 1 . . . A 158 GLU CA . 25241 1 698 . 1 1 63 63 GLU CB C 13 28.66 0.05 . 1 . . . A 158 GLU CB . 25241 1 699 . 1 1 63 63 GLU CG C 13 35.80 0.05 . 1 . . . A 158 GLU CG . 25241 1 700 . 1 1 63 63 GLU N N 15 119.23 0.05 . 1 . . . A 158 GLU N . 25241 1 701 . 1 1 64 64 ALA H H 1 8.10 0.02 . 1 . . . A 159 ALA H . 25241 1 702 . 1 1 64 64 ALA HA H 1 3.62 0.02 . 1 . . . A 159 ALA HA . 25241 1 703 . 1 1 64 64 ALA HB1 H 1 1.44 0.02 . 1 . . . A 159 ALA HB1 . 25241 1 704 . 1 1 64 64 ALA HB2 H 1 1.44 0.02 . 1 . . . A 159 ALA HB2 . 25241 1 705 . 1 1 64 64 ALA HB3 H 1 1.44 0.02 . 1 . . . A 159 ALA HB3 . 25241 1 706 . 1 1 64 64 ALA C C 13 178.62 0.05 . 1 . . . A 159 ALA C . 25241 1 707 . 1 1 64 64 ALA CA C 13 55.60 0.05 . 1 . . . A 159 ALA CA . 25241 1 708 . 1 1 64 64 ALA CB C 13 19.13 0.05 . 1 . . . A 159 ALA CB . 25241 1 709 . 1 1 64 64 ALA N N 15 122.05 0.05 . 1 . . . A 159 ALA N . 25241 1 710 . 1 1 65 65 LEU H H 1 8.23 0.02 . 1 . . . A 160 LEU H . 25241 1 711 . 1 1 65 65 LEU HA H 1 3.49 0.02 . 1 . . . A 160 LEU HA . 25241 1 712 . 1 1 65 65 LEU HB2 H 1 1.61 0.02 . 1 . . . A 160 LEU HB2 . 25241 1 713 . 1 1 65 65 LEU HB3 H 1 1.08 0.02 . 1 . . . A 160 LEU HB3 . 25241 1 714 . 1 1 65 65 LEU HG H 1 0.79 0.02 . 1 . . . A 160 LEU HG . 25241 1 715 . 1 1 65 65 LEU HD11 H 1 -0.09 0.02 . 1 . . . A 160 LEU HD11 . 25241 1 716 . 1 1 65 65 LEU HD12 H 1 -0.09 0.02 . 1 . . . A 160 LEU HD12 . 25241 1 717 . 1 1 65 65 LEU HD13 H 1 -0.09 0.02 . 1 . . . A 160 LEU HD13 . 25241 1 718 . 1 1 65 65 LEU HD21 H 1 0.45 0.02 . 1 . . . A 160 LEU HD21 . 25241 1 719 . 1 1 65 65 LEU HD22 H 1 0.45 0.02 . 1 . . . A 160 LEU HD22 . 25241 1 720 . 1 1 65 65 LEU HD23 H 1 0.45 0.02 . 1 . . . A 160 LEU HD23 . 25241 1 721 . 1 1 65 65 LEU C C 13 179.58 0.05 . 1 . . . A 160 LEU C . 25241 1 722 . 1 1 65 65 LEU CA C 13 57.34 0.05 . 1 . . . A 160 LEU CA . 25241 1 723 . 1 1 65 65 LEU CB C 13 42.07 0.05 . 1 . . . A 160 LEU CB . 25241 1 724 . 1 1 65 65 LEU CG C 13 25.66 0.05 . 1 . . . A 160 LEU CG . 25241 1 725 . 1 1 65 65 LEU CD1 C 13 25.29 0.05 . 1 . . . A 160 LEU CD1 . 25241 1 726 . 1 1 65 65 LEU CD2 C 13 22.61 0.05 . 1 . . . A 160 LEU CD2 . 25241 1 727 . 1 1 65 65 LEU N N 15 116.48 0.05 . 1 . . . A 160 LEU N . 25241 1 728 . 1 1 66 66 GLN H H 1 7.70 0.02 . 1 . . . A 161 GLN H . 25241 1 729 . 1 1 66 66 GLN HA H 1 3.37 0.02 . 1 . . . A 161 GLN HA . 25241 1 730 . 1 1 66 66 GLN HB2 H 1 2.17 0.02 . 1 . . . A 161 GLN HB2 . 25241 1 731 . 1 1 66 66 GLN HB3 H 1 1.97 0.02 . 1 . . . A 161 GLN HB3 . 25241 1 732 . 1 1 66 66 GLN HG2 H 1 2.41 0.02 . 2 . . . A 161 GLN HG2 . 25241 1 733 . 1 1 66 66 GLN HG3 H 1 2.18 0.02 . 2 . . . A 161 GLN HG3 . 25241 1 734 . 1 1 66 66 GLN HE21 H 1 7.51 0.02 . 1 . . . A 161 GLN HE21 . 25241 1 735 . 1 1 66 66 GLN HE22 H 1 6.77 0.02 . 1 . . . A 161 GLN HE22 . 25241 1 736 . 1 1 66 66 GLN C C 13 179.56 0.05 . 1 . . . A 161 GLN C . 25241 1 737 . 1 1 66 66 GLN CA C 13 59.16 0.05 . 1 . . . A 161 GLN CA . 25241 1 738 . 1 1 66 66 GLN CB C 13 28.17 0.05 . 1 . . . A 161 GLN CB . 25241 1 739 . 1 1 66 66 GLN CG C 13 34.14 0.05 . 1 . . . A 161 GLN CG . 25241 1 740 . 1 1 66 66 GLN N N 15 117.81 0.05 . 1 . . . A 161 GLN N . 25241 1 741 . 1 1 66 66 GLN NE2 N 15 113.06 0.05 . 1 . . . A 161 GLN NE2 . 25241 1 742 . 1 1 67 67 ARG H H 1 8.04 0.02 . 1 . . . A 162 ARG H . 25241 1 743 . 1 1 67 67 ARG HA H 1 3.99 0.02 . 1 . . . A 162 ARG HA . 25241 1 744 . 1 1 67 67 ARG HB2 H 1 1.82 0.02 . 1 . . . A 162 ARG HB2 . 25241 1 745 . 1 1 67 67 ARG HB3 H 1 1.86 0.02 . 1 . . . A 162 ARG HB3 . 25241 1 746 . 1 1 67 67 ARG HG2 H 1 1.98 0.02 . 2 . . . A 162 ARG HG2 . 25241 1 747 . 1 1 67 67 ARG HG3 H 1 1.69 0.02 . 2 . . . A 162 ARG HG3 . 25241 1 748 . 1 1 67 67 ARG HD2 H 1 3.13 0.02 . 2 . . . A 162 ARG HD2 . 25241 1 749 . 1 1 67 67 ARG HD3 H 1 2.92 0.02 . 2 . . . A 162 ARG HD3 . 25241 1 750 . 1 1 67 67 ARG C C 13 178.47 0.05 . 1 . . . A 162 ARG C . 25241 1 751 . 1 1 67 67 ARG CA C 13 59.02 0.05 . 1 . . . A 162 ARG CA . 25241 1 752 . 1 1 67 67 ARG CB C 13 30.43 0.05 . 1 . . . A 162 ARG CB . 25241 1 753 . 1 1 67 67 ARG CG C 13 27.61 0.05 . 1 . . . A 162 ARG CG . 25241 1 754 . 1 1 67 67 ARG CD C 13 44.00 0.05 . 1 . . . A 162 ARG CD . 25241 1 755 . 1 1 67 67 ARG N N 15 118.56 0.05 . 1 . . . A 162 ARG N . 25241 1 756 . 1 1 68 68 ILE H H 1 7.36 0.02 . 1 . . . A 163 ILE H . 25241 1 757 . 1 1 68 68 ILE HA H 1 4.43 0.02 . 1 . . . A 163 ILE HA . 25241 1 758 . 1 1 68 68 ILE HB H 1 2.11 0.02 . 1 . . . A 163 ILE HB . 25241 1 759 . 1 1 68 68 ILE HG12 H 1 1.46 0.02 . 2 . . . A 163 ILE HG12 . 25241 1 760 . 1 1 68 68 ILE HG13 H 1 1.17 0.02 . 2 . . . A 163 ILE HG13 . 25241 1 761 . 1 1 68 68 ILE HG21 H 1 0.74 0.02 . 1 . . . A 163 ILE HG21 . 25241 1 762 . 1 1 68 68 ILE HG22 H 1 0.74 0.02 . 1 . . . A 163 ILE HG22 . 25241 1 763 . 1 1 68 68 ILE HG23 H 1 0.74 0.02 . 1 . . . A 163 ILE HG23 . 25241 1 764 . 1 1 68 68 ILE HD11 H 1 0.73 0.02 . 1 . . . A 163 ILE HD11 . 25241 1 765 . 1 1 68 68 ILE HD12 H 1 0.73 0.02 . 1 . . . A 163 ILE HD12 . 25241 1 766 . 1 1 68 68 ILE HD13 H 1 0.73 0.02 . 1 . . . A 163 ILE HD13 . 25241 1 767 . 1 1 68 68 ILE CA C 13 61.11 0.05 . 1 . . . A 163 ILE CA . 25241 1 768 . 1 1 68 68 ILE CB C 13 37.59 0.05 . 1 . . . A 163 ILE CB . 25241 1 769 . 1 1 68 68 ILE CG1 C 13 26.02 0.05 . 1 . . . A 163 ILE CG1 . 25241 1 770 . 1 1 68 68 ILE CG2 C 13 17.16 0.05 . 1 . . . A 163 ILE CG2 . 25241 1 771 . 1 1 68 68 ILE CD1 C 13 15.08 0.05 . 1 . . . A 163 ILE CD1 . 25241 1 772 . 1 1 68 68 ILE N N 15 111.02 0.05 . 1 . . . A 163 ILE N . 25241 1 773 . 1 1 69 69 GLY HA2 H 1 3.46 0.02 . 1 . . . A 164 GLY HA2 . 25241 1 774 . 1 1 69 69 GLY HA3 H 1 4.09 0.02 . 1 . . . A 164 GLY HA3 . 25241 1 775 . 1 1 69 69 GLY C C 13 174.84 0.05 . 1 . . . A 164 GLY C . 25241 1 776 . 1 1 69 69 GLY CA C 13 45.65 0.05 . 1 . . . A 164 GLY CA . 25241 1 777 . 1 1 70 70 ARG H H 1 8.03 0.02 . 1 . . . A 165 ARG H . 25241 1 778 . 1 1 70 70 ARG HA H 1 4.50 0.02 . 1 . . . A 165 ARG HA . 25241 1 779 . 1 1 70 70 ARG HB2 H 1 1.27 0.02 . 1 . . . A 165 ARG HB2 . 25241 1 780 . 1 1 70 70 ARG HB3 H 1 1.97 0.02 . 1 . . . A 165 ARG HB3 . 25241 1 781 . 1 1 70 70 ARG HG2 H 1 1.48 0.02 . 2 . . . A 165 ARG HG2 . 25241 1 782 . 1 1 70 70 ARG HG3 H 1 1.44 0.02 . 2 . . . A 165 ARG HG3 . 25241 1 783 . 1 1 70 70 ARG HD2 H 1 3.09 0.02 . 1 . . . A 165 ARG HD2 . 25241 1 784 . 1 1 70 70 ARG HD3 H 1 2.85 0.02 . 1 . . . A 165 ARG HD3 . 25241 1 785 . 1 1 70 70 ARG CA C 13 54.74 0.05 . 1 . . . A 165 ARG CA . 25241 1 786 . 1 1 70 70 ARG CB C 13 28.93 0.05 . 1 . . . A 165 ARG CB . 25241 1 787 . 1 1 70 70 ARG CG C 13 26.57 0.05 . 1 . . . A 165 ARG CG . 25241 1 788 . 1 1 70 70 ARG CD C 13 43.95 0.05 . 1 . . . A 165 ARG CD . 25241 1 789 . 1 1 70 70 ARG N N 15 124.06 0.05 . 1 . . . A 165 ARG N . 25241 1 790 . 1 1 71 71 HIS HA H 1 4.31 0.02 . 1 . . . A 166 HIS HA . 25241 1 791 . 1 1 71 71 HIS HB2 H 1 3.04 0.02 . 2 . . . A 166 HIS HB2 . 25241 1 792 . 1 1 71 71 HIS HB3 H 1 2.88 0.02 . 2 . . . A 166 HIS HB3 . 25241 1 793 . 1 1 71 71 HIS CA C 13 57.77 0.05 . 1 . . . A 166 HIS CA . 25241 1 794 . 1 1 71 71 HIS CB C 13 31.68 0.05 . 1 . . . A 166 HIS CB . 25241 1 795 . 1 1 72 72 SER HA H 1 4.24 0.02 . 1 . . . A 167 SER HA . 25241 1 796 . 1 1 72 72 SER HB2 H 1 3.85 0.02 . 1 . . . A 167 SER HB2 . 25241 1 797 . 1 1 72 72 SER HB3 H 1 3.85 0.02 . 1 . . . A 167 SER HB3 . 25241 1 798 . 1 1 72 72 SER CA C 13 61.26 0.05 . 1 . . . A 167 SER CA . 25241 1 799 . 1 1 72 72 SER CB C 13 62.22 0.05 . 1 . . . A 167 SER CB . 25241 1 800 . 1 1 73 73 GLU HA H 1 3.99 0.02 . 1 . . . A 168 GLU HA . 25241 1 801 . 1 1 73 73 GLU HB2 H 1 2.02 0.02 . 2 . . . A 168 GLU HB2 . 25241 1 802 . 1 1 73 73 GLU HB3 H 1 1.90 0.02 . 2 . . . A 168 GLU HB3 . 25241 1 803 . 1 1 73 73 GLU HG2 H 1 2.24 0.02 . 2 . . . A 168 GLU HG2 . 25241 1 804 . 1 1 73 73 GLU HG3 H 1 2.21 0.02 . 2 . . . A 168 GLU HG3 . 25241 1 805 . 1 1 73 73 GLU CA C 13 59.60 0.05 . 1 . . . A 168 GLU CA . 25241 1 806 . 1 1 73 73 GLU CB C 13 29.84 0.05 . 1 . . . A 168 GLU CB . 25241 1 807 . 1 1 73 73 GLU CG C 13 37.64 0.05 . 1 . . . A 168 GLU CG . 25241 1 808 . 1 1 74 74 ALA H H 1 7.63 0.02 . 1 . . . A 169 ALA H . 25241 1 809 . 1 1 74 74 ALA HA H 1 3.75 0.02 . 1 . . . A 169 ALA HA . 25241 1 810 . 1 1 74 74 ALA HB1 H 1 1.37 0.02 . 1 . . . A 169 ALA HB1 . 25241 1 811 . 1 1 74 74 ALA HB2 H 1 1.37 0.02 . 1 . . . A 169 ALA HB2 . 25241 1 812 . 1 1 74 74 ALA HB3 H 1 1.37 0.02 . 1 . . . A 169 ALA HB3 . 25241 1 813 . 1 1 74 74 ALA C C 13 178.85 0.05 . 1 . . . A 169 ALA C . 25241 1 814 . 1 1 74 74 ALA CA C 13 55.08 0.05 . 1 . . . A 169 ALA CA . 25241 1 815 . 1 1 74 74 ALA CB C 13 18.43 0.05 . 1 . . . A 169 ALA CB . 25241 1 816 . 1 1 75 75 ASP H H 1 8.13 0.02 . 1 . . . A 170 ASP H . 25241 1 817 . 1 1 75 75 ASP HA H 1 4.36 0.02 . 1 . . . A 170 ASP HA . 25241 1 818 . 1 1 75 75 ASP HB2 H 1 2.72 0.02 . 2 . . . A 170 ASP HB2 . 25241 1 819 . 1 1 75 75 ASP HB3 H 1 2.61 0.02 . 2 . . . A 170 ASP HB3 . 25241 1 820 . 1 1 75 75 ASP C C 13 177.86 0.05 . 1 . . . A 170 ASP C . 25241 1 821 . 1 1 75 75 ASP CA C 13 56.72 0.05 . 1 . . . A 170 ASP CA . 25241 1 822 . 1 1 75 75 ASP CB C 13 40.63 0.05 . 1 . . . A 170 ASP CB . 25241 1 823 . 1 1 75 75 ASP N N 15 118.20 0.05 . 1 . . . A 170 ASP N . 25241 1 824 . 1 1 76 76 ALA H H 1 7.52 0.02 . 1 . . . A 171 ALA H . 25241 1 825 . 1 1 76 76 ALA HA H 1 4.09 0.02 . 1 . . . A 171 ALA HA . 25241 1 826 . 1 1 76 76 ALA HB1 H 1 1.44 0.02 . 1 . . . A 171 ALA HB1 . 25241 1 827 . 1 1 76 76 ALA HB2 H 1 1.44 0.02 . 1 . . . A 171 ALA HB2 . 25241 1 828 . 1 1 76 76 ALA HB3 H 1 1.44 0.02 . 1 . . . A 171 ALA HB3 . 25241 1 829 . 1 1 76 76 ALA C C 13 180.20 0.05 . 1 . . . A 171 ALA C . 25241 1 830 . 1 1 76 76 ALA CA C 13 54.63 0.05 . 1 . . . A 171 ALA CA . 25241 1 831 . 1 1 76 76 ALA CB C 13 17.96 0.05 . 1 . . . A 171 ALA CB . 25241 1 832 . 1 1 76 76 ALA N N 15 122.45 0.05 . 1 . . . A 171 ALA N . 25241 1 833 . 1 1 77 77 VAL H H 1 7.62 0.02 . 1 . . . A 172 VAL H . 25241 1 834 . 1 1 77 77 VAL HA H 1 3.71 0.02 . 1 . . . A 172 VAL HA . 25241 1 835 . 1 1 77 77 VAL HB H 1 2.04 0.02 . 1 . . . A 172 VAL HB . 25241 1 836 . 1 1 77 77 VAL HG11 H 1 0.97 0.02 . 1 . . . A 172 VAL HG11 . 25241 1 837 . 1 1 77 77 VAL HG12 H 1 0.97 0.02 . 1 . . . A 172 VAL HG12 . 25241 1 838 . 1 1 77 77 VAL HG13 H 1 0.97 0.02 . 1 . . . A 172 VAL HG13 . 25241 1 839 . 1 1 77 77 VAL HG21 H 1 0.97 0.02 . 1 . . . A 172 VAL HG21 . 25241 1 840 . 1 1 77 77 VAL HG22 H 1 0.97 0.02 . 1 . . . A 172 VAL HG22 . 25241 1 841 . 1 1 77 77 VAL HG23 H 1 0.97 0.02 . 1 . . . A 172 VAL HG23 . 25241 1 842 . 1 1 77 77 VAL CA C 13 65.79 0.05 . 1 . . . A 172 VAL CA . 25241 1 843 . 1 1 77 77 VAL CB C 13 31.48 0.05 . 1 . . . A 172 VAL CB . 25241 1 844 . 1 1 77 77 VAL CG1 C 13 22.42 0.05 . 1 . . . A 172 VAL CG1 . 25241 1 845 . 1 1 77 77 VAL CG2 C 13 22.42 0.05 . 1 . . . A 172 VAL CG2 . 25241 1 846 . 1 1 77 77 VAL N N 15 119.58 0.05 . 1 . . . A 172 VAL N . 25241 1 847 . 1 1 78 78 ARG H H 1 8.09 0.02 . 1 . . . A 173 ARG H . 25241 1 848 . 1 1 78 78 ARG HA H 1 3.80 0.02 . 1 . . . A 173 ARG HA . 25241 1 849 . 1 1 78 78 ARG HB2 H 1 2.02 0.02 . 1 . . . A 173 ARG HB2 . 25241 1 850 . 1 1 78 78 ARG HB3 H 1 2.02 0.02 . 1 . . . A 173 ARG HB3 . 25241 1 851 . 1 1 78 78 ARG HG2 H 1 1.55 0.02 . 1 . . . A 173 ARG HG2 . 25241 1 852 . 1 1 78 78 ARG HG3 H 1 1.55 0.02 . 1 . . . A 173 ARG HG3 . 25241 1 853 . 1 1 78 78 ARG HD2 H 1 3.16 0.02 . 1 . . . A 173 ARG HD2 . 25241 1 854 . 1 1 78 78 ARG HD3 H 1 3.16 0.02 . 1 . . . A 173 ARG HD3 . 25241 1 855 . 1 1 78 78 ARG CA C 13 59.37 0.05 . 1 . . . A 173 ARG CA . 25241 1 856 . 1 1 78 78 ARG CB C 13 29.73 0.05 . 1 . . . A 173 ARG CB . 25241 1 857 . 1 1 78 78 ARG CG C 13 27.27 0.05 . 1 . . . A 173 ARG CG . 25241 1 858 . 1 1 78 78 ARG CD C 13 42.96 0.05 . 1 . . . A 173 ARG CD . 25241 1 859 . 1 1 79 79 GLN HA H 1 4.04 0.02 . 1 . . . A 174 GLN HA . 25241 1 860 . 1 1 79 79 GLN HB2 H 1 2.06 0.02 . 1 . . . A 174 GLN HB2 . 25241 1 861 . 1 1 79 79 GLN HB3 H 1 2.06 0.02 . 1 . . . A 174 GLN HB3 . 25241 1 862 . 1 1 79 79 GLN HG2 H 1 2.41 0.02 . 2 . . . A 174 GLN HG2 . 25241 1 863 . 1 1 79 79 GLN HG3 H 1 2.32 0.02 . 2 . . . A 174 GLN HG3 . 25241 1 864 . 1 1 79 79 GLN CA C 13 58.12 0.05 . 1 . . . A 174 GLN CA . 25241 1 865 . 1 1 79 79 GLN CB C 13 28.84 0.05 . 1 . . . A 174 GLN CB . 25241 1 866 . 1 1 79 79 GLN CG C 13 33.91 0.05 . 1 . . . A 174 GLN CG . 25241 1 867 . 1 1 80 80 ASN HA H 1 4.61 0.02 . 1 . . . A 175 ASN HA . 25241 1 868 . 1 1 80 80 ASN HB2 H 1 2.88 0.02 . 1 . . . A 175 ASN HB2 . 25241 1 869 . 1 1 80 80 ASN HB3 H 1 2.88 0.02 . 1 . . . A 175 ASN HB3 . 25241 1 870 . 1 1 80 80 ASN CA C 13 54.86 0.05 . 1 . . . A 175 ASN CA . 25241 1 871 . 1 1 80 80 ASN CB C 13 38.81 0.05 . 1 . . . A 175 ASN CB . 25241 1 872 . 1 1 81 81 LEU HA H 1 4.14 0.02 . 1 . . . A 176 LEU HA . 25241 1 873 . 1 1 81 81 LEU HB2 H 1 1.81 0.02 . 1 . . . A 176 LEU HB2 . 25241 1 874 . 1 1 81 81 LEU HB3 H 1 1.54 0.02 . 1 . . . A 176 LEU HB3 . 25241 1 875 . 1 1 81 81 LEU HG H 1 1.71 0.02 . 1 . . . A 176 LEU HG . 25241 1 876 . 1 1 81 81 LEU HD11 H 1 0.84 0.02 . 1 . . . A 176 LEU HD11 . 25241 1 877 . 1 1 81 81 LEU HD12 H 1 0.84 0.02 . 1 . . . A 176 LEU HD12 . 25241 1 878 . 1 1 81 81 LEU HD13 H 1 0.84 0.02 . 1 . . . A 176 LEU HD13 . 25241 1 879 . 1 1 81 81 LEU HD21 H 1 0.89 0.02 . 1 . . . A 176 LEU HD21 . 25241 1 880 . 1 1 81 81 LEU HD22 H 1 0.89 0.02 . 1 . . . A 176 LEU HD22 . 25241 1 881 . 1 1 81 81 LEU HD23 H 1 0.89 0.02 . 1 . . . A 176 LEU HD23 . 25241 1 882 . 1 1 81 81 LEU CA C 13 56.68 0.05 . 1 . . . A 176 LEU CA . 25241 1 883 . 1 1 81 81 LEU CB C 13 42.41 0.05 . 1 . . . A 176 LEU CB . 25241 1 884 . 1 1 81 81 LEU CG C 13 27.12 0.05 . 1 . . . A 176 LEU CG . 25241 1 885 . 1 1 81 81 LEU CD1 C 13 25.67 0.05 . 1 . . . A 176 LEU CD1 . 25241 1 886 . 1 1 81 81 LEU CD2 C 13 23.76 0.05 . 1 . . . A 176 LEU CD2 . 25241 1 stop_ save_