data_15698 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15698 _Entry.Title ; Solution Structure of the Apo C terminal domain of Lethocerus troponin C isoform F1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-29 _Entry.Accession_date 2008-03-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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.Entry_ID 1 Gian 'De Nicola' . Felice . 15698 2 Geoff Kelly . . . 15698 3 Belinda Bullard . . . 15698 4 John McCormick . . . 15698 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 . 'not applicable' 'not applicable' . 15698 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'calcium binding protein' . 15698 'contractile protein' . 15698 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15698 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 198 15698 '15N chemical shifts' 71 15698 '1H chemical shifts' 447 15698 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 3 . . 2010-05-26 2008-03-29 update BMRB 'update entity name' 15698 2 . . 2010-03-19 2008-03-29 update BMRB 'completed entry citation' 15698 1 . . 2010-02-01 2008-03-29 original author 'original release' 15698 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K2A 'BMRB Entry Tracking System' 15698 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15698 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20104876 _Citation.Full_citation . _Citation.Title 'Solution structure of the Apo C-terminal domain of the Lethocerus F1 troponin C isoform.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 8 _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 1719 _Citation.Page_last 1726 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 'Gian Felice' 'De Nicola' . . . 15698 1 2 Stephen Martin . . . 15698 1 3 Belinda Bullard . . . 15698 1 4 Annalisa Pastore . . . 15698 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15698 _Assembly.ID 1 _Assembly.Name 'Lethocerus F1 troponin C isoform' _Assembly.BMRB_code . _Assembly.Number_of_components 10 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity A . yes native no no . . . 15698 1 2 entity_2 1 $entity B . yes native no no . . . 15698 1 3 entity_3 1 $entity C . yes native no no . . . 15698 1 4 entity_4 1 $entity D . yes native no no . . . 15698 1 5 entity_5 1 $entity E . yes native no no . . . 15698 1 6 entity_6 1 $entity F . yes native no no . . . 15698 1 7 entity_7 1 $entity G . yes native no no . . . 15698 1 8 entity_8 1 $entity H . yes native no no . . . 15698 1 9 entity_9 1 $entity I . yes native no no . . . 15698 1 10 entity_10 1 $entity J . yes native no no . . . 15698 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15698 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Lethocerus F1 troponin C isoform' _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 ; MQQELREAFRLYDKEGNGYI STDVMREILAELDETLSSED LDAMIDEIDADGSGTVDFEE FMGVMTGGDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The entry numbering corresponds to the numbering in the natural protein without added tags. It starts from residue 89 of lethocerus TnC ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7849.534 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2K2A . "Solution Structure Of The Apo C Terminal Domain Of Lethoceru C Isoform F1" . . . . . 100.00 70 100.00 100.00 9.27e-40 . . . . 15698 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 89 MET . 15698 1 2 90 GLN . 15698 1 3 91 GLN . 15698 1 4 92 GLU . 15698 1 5 93 LEU . 15698 1 6 94 ARG . 15698 1 7 95 GLU . 15698 1 8 96 ALA . 15698 1 9 97 PHE . 15698 1 10 98 ARG . 15698 1 11 99 LEU . 15698 1 12 100 TYR . 15698 1 13 101 ASP . 15698 1 14 102 LYS . 15698 1 15 103 GLU . 15698 1 16 104 GLY . 15698 1 17 105 ASN . 15698 1 18 106 GLY . 15698 1 19 107 TYR . 15698 1 20 108 ILE . 15698 1 21 109 SER . 15698 1 22 110 THR . 15698 1 23 111 ASP . 15698 1 24 112 VAL . 15698 1 25 113 MET . 15698 1 26 114 ARG . 15698 1 27 115 GLU . 15698 1 28 116 ILE . 15698 1 29 117 LEU . 15698 1 30 118 ALA . 15698 1 31 119 GLU . 15698 1 32 120 LEU . 15698 1 33 121 ASP . 15698 1 34 122 GLU . 15698 1 35 123 THR . 15698 1 36 124 LEU . 15698 1 37 125 SER . 15698 1 38 126 SER . 15698 1 39 127 GLU . 15698 1 40 128 ASP . 15698 1 41 129 LEU . 15698 1 42 130 ASP . 15698 1 43 131 ALA . 15698 1 44 132 MET . 15698 1 45 133 ILE . 15698 1 46 134 ASP . 15698 1 47 135 GLU . 15698 1 48 136 ILE . 15698 1 49 137 ASP . 15698 1 50 138 ALA . 15698 1 51 139 ASP . 15698 1 52 140 GLY . 15698 1 53 141 SER . 15698 1 54 142 GLY . 15698 1 55 143 THR . 15698 1 56 144 VAL . 15698 1 57 145 ASP . 15698 1 58 146 PHE . 15698 1 59 147 GLU . 15698 1 60 148 GLU . 15698 1 61 149 PHE . 15698 1 62 150 MET . 15698 1 63 151 GLY . 15698 1 64 152 VAL . 15698 1 65 153 MET . 15698 1 66 154 THR . 15698 1 67 155 GLY . 15698 1 68 156 GLY . 15698 1 69 157 ASP . 15698 1 70 158 GLU . 15698 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 15698 1 . GLN 2 2 15698 1 . GLN 3 3 15698 1 . GLU 4 4 15698 1 . LEU 5 5 15698 1 . ARG 6 6 15698 1 . GLU 7 7 15698 1 . ALA 8 8 15698 1 . PHE 9 9 15698 1 . ARG 10 10 15698 1 . LEU 11 11 15698 1 . TYR 12 12 15698 1 . ASP 13 13 15698 1 . LYS 14 14 15698 1 . GLU 15 15 15698 1 . GLY 16 16 15698 1 . ASN 17 17 15698 1 . GLY 18 18 15698 1 . TYR 19 19 15698 1 . ILE 20 20 15698 1 . SER 21 21 15698 1 . THR 22 22 15698 1 . ASP 23 23 15698 1 . VAL 24 24 15698 1 . MET 25 25 15698 1 . ARG 26 26 15698 1 . GLU 27 27 15698 1 . ILE 28 28 15698 1 . LEU 29 29 15698 1 . ALA 30 30 15698 1 . GLU 31 31 15698 1 . LEU 32 32 15698 1 . ASP 33 33 15698 1 . GLU 34 34 15698 1 . THR 35 35 15698 1 . LEU 36 36 15698 1 . SER 37 37 15698 1 . SER 38 38 15698 1 . GLU 39 39 15698 1 . ASP 40 40 15698 1 . LEU 41 41 15698 1 . ASP 42 42 15698 1 . ALA 43 43 15698 1 . MET 44 44 15698 1 . ILE 45 45 15698 1 . ASP 46 46 15698 1 . GLU 47 47 15698 1 . ILE 48 48 15698 1 . ASP 49 49 15698 1 . ALA 50 50 15698 1 . ASP 51 51 15698 1 . GLY 52 52 15698 1 . SER 53 53 15698 1 . GLY 54 54 15698 1 . THR 55 55 15698 1 . VAL 56 56 15698 1 . ASP 57 57 15698 1 . PHE 58 58 15698 1 . GLU 59 59 15698 1 . GLU 60 60 15698 1 . PHE 61 61 15698 1 . MET 62 62 15698 1 . GLY 63 63 15698 1 . VAL 64 64 15698 1 . MET 65 65 15698 1 . THR 66 66 15698 1 . GLY 67 67 15698 1 . GLY 68 68 15698 1 . ASP 69 69 15698 1 . GLU 70 70 15698 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 15698 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 212017 organism . 'Lethocerus indicus' 'Lethocerus indicus' . . Eukaryota Metazoa Lethocerus indicus . . . . . . . . . . . . . . . . . . . . . 15698 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 15698 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . petM11 . . . . . . 15698 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15698 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-99% 15N]' . . 1 $entity . . 0.4 . . mM . . . . 15698 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15698 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 15698 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15698 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-99% 15N]' . . 1 $entity . . 0.4 . . mM . . . . 15698 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15698 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 15698 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15698 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.4 . . mM . . . . 15698 3 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15698 3 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 15698 3 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 15698 _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' 0.1 . M 15698 1 pH 6.8 . pH 15698 1 pressure 1 . atm 15698 1 temperature 298 . K 15698 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15698 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15698 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15698 1 'structure solution' 15698 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15698 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15698 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15698 2 processing 15698 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15698 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15698 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15698 3 'peak picking' 15698 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15698 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15698 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15698 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 15698 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15698 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15698 _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 Varian INOVA . 800 . . . 15698 1 2 spectrometer_2 Varian INOVA . 600 . . . 15698 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 15698 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15698 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15698 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15698 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15698 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15698 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15698 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15698 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15698 1 9 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15698 1 10 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15698 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15698 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 15698 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15698 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15698 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15698 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 15698 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15698 1 3 '3D 1H-15N NOESY' . . . 15698 1 6 '3D HCCH-TOCSY' . . . 15698 1 11 '3D 1H-15N TOCSY' . . . 15698 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 3 $XEASY . . 15698 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.467 0.000 . . . . . . 89 MET HN . 15698 1 2 . 1 1 1 1 MET N N 15 120.250 0.000 . . . . . . 89 MET N . 15698 1 3 . 1 1 2 2 GLN H H 1 8.276 0.000 . . . . . . 90 GLN HN . 15698 1 4 . 1 1 2 2 GLN HE21 H 1 6.930 0.000 . . . . . . 90 GLN HE21 . 15698 1 5 . 1 1 2 2 GLN HE22 H 1 7.486 0.000 . . . . . . 90 GLN HE22 . 15698 1 6 . 1 1 2 2 GLN N N 15 118.747 0.000 . . . . . . 90 GLN N . 15698 1 7 . 1 1 2 2 GLN NE2 N 15 111.405 0.000 . . . . . . 90 GLN NE2 . 15698 1 8 . 1 1 3 3 GLN H H 1 8.199 0.000 . . . . . . 91 GLN HN . 15698 1 9 . 1 1 3 3 GLN HE21 H 1 6.862 0.000 . . . . . . 91 GLN HE21 . 15698 1 10 . 1 1 3 3 GLN HE22 H 1 7.703 0.000 . . . . . . 91 GLN HE22 . 15698 1 11 . 1 1 3 3 GLN N N 15 120.090 0.000 . . . . . . 91 GLN N . 15698 1 12 . 1 1 3 3 GLN NE2 N 15 112.217 0.000 . . . . . . 91 GLN NE2 . 15698 1 13 . 1 1 4 4 GLU H H 1 8.454 0.000 . . . . . . 92 GLU HN . 15698 1 14 . 1 1 4 4 GLU N N 15 120.250 0.000 . . . . . . 92 GLU N . 15698 1 15 . 1 1 5 5 LEU H H 1 8.410 0.000 . . . . . . 93 LEU HN . 15698 1 16 . 1 1 5 5 LEU HA H 1 4.255 0.012 . . . . . . 93 LEU HA . 15698 1 17 . 1 1 5 5 LEU HB2 H 1 2.054 0.009 . . . . . . 93 LEU HB2 . 15698 1 18 . 1 1 5 5 LEU HB3 H 1 1.636 0.009 . . . . . . 93 LEU HB3 . 15698 1 19 . 1 1 5 5 LEU HD11 H 1 0.828 0.005 . . . . . . 93 LEU QD1 . 15698 1 20 . 1 1 5 5 LEU HD12 H 1 0.828 0.005 . . . . . . 93 LEU QD1 . 15698 1 21 . 1 1 5 5 LEU HD13 H 1 0.828 0.005 . . . . . . 93 LEU QD1 . 15698 1 22 . 1 1 5 5 LEU HD21 H 1 0.865 0.005 . . . . . . 93 LEU QD2 . 15698 1 23 . 1 1 5 5 LEU HD22 H 1 0.865 0.005 . . . . . . 93 LEU QD2 . 15698 1 24 . 1 1 5 5 LEU HD23 H 1 0.865 0.005 . . . . . . 93 LEU QD2 . 15698 1 25 . 1 1 5 5 LEU HG H 1 1.853 0.009 . . . . . . 93 LEU HG . 15698 1 26 . 1 1 5 5 LEU CA C 13 58.103 0.000 . . . . . . 93 LEU CA . 15698 1 27 . 1 1 5 5 LEU CB C 13 42.309 0.000 . . . . . . 93 LEU CB . 15698 1 28 . 1 1 5 5 LEU CD1 C 13 26.468 0.000 . . . . . . 93 LEU CD1 . 15698 1 29 . 1 1 5 5 LEU CD2 C 13 24.125 0.000 . . . . . . 93 LEU CD2 . 15698 1 30 . 1 1 5 5 LEU CG C 13 27.471 0.000 . . . . . . 93 LEU CG . 15698 1 31 . 1 1 5 5 LEU N N 15 121.261 0.000 . . . . . . 93 LEU N . 15698 1 32 . 1 1 6 6 ARG H H 1 8.345 0.000 . . . . . . 94 ARG HN . 15698 1 33 . 1 1 6 6 ARG HA H 1 4.061 0.006 . . . . . . 94 ARG HA . 15698 1 34 . 1 1 6 6 ARG HB2 H 1 1.983 0.001 . . . . . . 94 ARG HB2 . 15698 1 35 . 1 1 6 6 ARG HB3 H 1 1.931 0.002 . . . . . . 94 ARG HB3 . 15698 1 36 . 1 1 6 6 ARG HD2 H 1 3.075 0.005 . . . . . . 94 ARG QD . 15698 1 37 . 1 1 6 6 ARG HD3 H 1 3.075 0.005 . . . . . . 94 ARG QD . 15698 1 38 . 1 1 6 6 ARG HE H 1 7.190 0.000 . . . . . . 94 ARG HE . 15698 1 39 . 1 1 6 6 ARG HG2 H 1 1.692 0.010 . . . . . . 94 ARG HG2 . 15698 1 40 . 1 1 6 6 ARG HG3 H 1 1.526 0.008 . . . . . . 94 ARG HG3 . 15698 1 41 . 1 1 6 6 ARG CA C 13 60.241 0.000 . . . . . . 94 ARG CA . 15698 1 42 . 1 1 6 6 ARG CB C 13 30.080 0.000 . . . . . . 94 ARG CB . 15698 1 43 . 1 1 6 6 ARG CD C 13 43.450 0.000 . . . . . . 94 ARG CD . 15698 1 44 . 1 1 6 6 ARG CG C 13 28.449 0.000 . . . . . . 94 ARG CG . 15698 1 45 . 1 1 6 6 ARG N N 15 119.790 0.000 . . . . . . 94 ARG N . 15698 1 46 . 1 1 7 7 GLU H H 1 8.010 0.000 . . . . . . 95 GLU HN . 15698 1 47 . 1 1 7 7 GLU HA H 1 4.122 0.003 . . . . . . 95 GLU HA . 15698 1 48 . 1 1 7 7 GLU HB2 H 1 2.127 0.003 . . . . . . 95 GLU QB . 15698 1 49 . 1 1 7 7 GLU HB3 H 1 2.127 0.003 . . . . . . 95 GLU QB . 15698 1 50 . 1 1 7 7 GLU HG2 H 1 2.361 0.000 . . . . . . 95 GLU QG . 15698 1 51 . 1 1 7 7 GLU HG3 H 1 2.361 0.000 . . . . . . 95 GLU QG . 15698 1 52 . 1 1 7 7 GLU CA C 13 59.861 0.000 . . . . . . 95 GLU CA . 15698 1 53 . 1 1 7 7 GLU CB C 13 28.812 0.000 . . . . . . 95 GLU CB . 15698 1 54 . 1 1 7 7 GLU N N 15 118.474 0.000 . . . . . . 95 GLU N . 15698 1 55 . 1 1 8 8 ALA H H 1 8.052 0.000 . . . . . . 96 ALA HN . 15698 1 56 . 1 1 8 8 ALA HA H 1 4.199 0.008 . . . . . . 96 ALA HA . 15698 1 57 . 1 1 8 8 ALA HB1 H 1 1.670 0.004 . . . . . . 96 ALA QB . 15698 1 58 . 1 1 8 8 ALA HB2 H 1 1.670 0.004 . . . . . . 96 ALA QB . 15698 1 59 . 1 1 8 8 ALA HB3 H 1 1.670 0.004 . . . . . . 96 ALA QB . 15698 1 60 . 1 1 8 8 ALA CA C 13 55.174 0.000 . . . . . . 96 ALA CA . 15698 1 61 . 1 1 8 8 ALA CB C 13 18.502 0.000 . . . . . . 96 ALA CB . 15698 1 62 . 1 1 8 8 ALA N N 15 122.505 0.000 . . . . . . 96 ALA N . 15698 1 63 . 1 1 9 9 PHE H H 1 8.432 0.000 . . . . . . 97 PHE HN . 15698 1 64 . 1 1 9 9 PHE HA H 1 3.803 0.003 . . . . . . 97 PHE HA . 15698 1 65 . 1 1 9 9 PHE HB2 H 1 2.999 0.009 . . . . . . 97 PHE HB2 . 15698 1 66 . 1 1 9 9 PHE HB3 H 1 2.913 0.008 . . . . . . 97 PHE HB3 . 15698 1 67 . 1 1 9 9 PHE HD1 H 1 6.519 0.009 . . . . . . 97 PHE QD . 15698 1 68 . 1 1 9 9 PHE HD2 H 1 6.519 0.009 . . . . . . 97 PHE QD . 15698 1 69 . 1 1 9 9 PHE HE1 H 1 7.170 0.001 . . . . . . 97 PHE QE . 15698 1 70 . 1 1 9 9 PHE HE2 H 1 7.170 0.001 . . . . . . 97 PHE QE . 15698 1 71 . 1 1 9 9 PHE HZ H 1 7.051 0.003 . . . . . . 97 PHE HZ . 15698 1 72 . 1 1 9 9 PHE CA C 13 61.732 0.000 . . . . . . 97 PHE CA . 15698 1 73 . 1 1 9 9 PHE CB C 13 39.537 0.000 . . . . . . 97 PHE CB . 15698 1 74 . 1 1 9 9 PHE CD1 C 13 132.156 0.000 . . . . . . 97 PHE CD1 . 15698 1 75 . 1 1 9 9 PHE CE1 C 13 131.339 0.000 . . . . . . 97 PHE CE1 . 15698 1 76 . 1 1 9 9 PHE CZ C 13 129.229 0.000 . . . . . . 97 PHE CZ . 15698 1 77 . 1 1 9 9 PHE N N 15 117.510 0.000 . . . . . . 97 PHE N . 15698 1 78 . 1 1 10 10 ARG H H 1 7.840 0.000 . . . . . . 98 ARG HN . 15698 1 79 . 1 1 10 10 ARG HA H 1 3.955 0.004 . . . . . . 98 ARG HA . 15698 1 80 . 1 1 10 10 ARG HB2 H 1 1.924 0.007 . . . . . . 98 ARG QB . 15698 1 81 . 1 1 10 10 ARG HB3 H 1 1.924 0.007 . . . . . . 98 ARG QB . 15698 1 82 . 1 1 10 10 ARG HD2 H 1 3.196 0.008 . . . . . . 98 ARG QD . 15698 1 83 . 1 1 10 10 ARG HD3 H 1 3.196 0.008 . . . . . . 98 ARG QD . 15698 1 84 . 1 1 10 10 ARG HG2 H 1 1.832 0.003 . . . . . . 98 ARG HG2 . 15698 1 85 . 1 1 10 10 ARG HG3 H 1 1.694 0.003 . . . . . . 98 ARG HG3 . 15698 1 86 . 1 1 10 10 ARG CA C 13 59.109 0.000 . . . . . . 98 ARG CA . 15698 1 87 . 1 1 10 10 ARG CB C 13 30.243 0.000 . . . . . . 98 ARG CB . 15698 1 88 . 1 1 10 10 ARG CD C 13 43.457 0.000 . . . . . . 98 ARG CD . 15698 1 89 . 1 1 10 10 ARG CG C 13 28.123 0.000 . . . . . . 98 ARG CG . 15698 1 90 . 1 1 10 10 ARG N N 15 116.256 0.000 . . . . . . 98 ARG N . 15698 1 91 . 1 1 11 11 LEU H H 1 7.578 0.000 . . . . . . 99 LEU HN . 15698 1 92 . 1 1 11 11 LEU HA H 1 3.958 0.005 . . . . . . 99 LEU HA . 15698 1 93 . 1 1 11 11 LEU HB2 H 1 1.629 0.008 . . . . . . 99 LEU HB2 . 15698 1 94 . 1 1 11 11 LEU HB3 H 1 1.369 0.005 . . . . . . 99 LEU HB3 . 15698 1 95 . 1 1 11 11 LEU HD11 H 1 0.735 0.006 . . . . . . 99 LEU QD1 . 15698 1 96 . 1 1 11 11 LEU HD12 H 1 0.735 0.006 . . . . . . 99 LEU QD1 . 15698 1 97 . 1 1 11 11 LEU HD13 H 1 0.735 0.006 . . . . . . 99 LEU QD1 . 15698 1 98 . 1 1 11 11 LEU HD21 H 1 0.823 0.002 . . . . . . 99 LEU QD2 . 15698 1 99 . 1 1 11 11 LEU HD22 H 1 0.823 0.002 . . . . . . 99 LEU QD2 . 15698 1 100 . 1 1 11 11 LEU HD23 H 1 0.823 0.002 . . . . . . 99 LEU QD2 . 15698 1 101 . 1 1 11 11 LEU HG H 1 1.488 0.006 . . . . . . 99 LEU HG . 15698 1 102 . 1 1 11 11 LEU CA C 13 57.310 0.000 . . . . . . 99 LEU CA . 15698 1 103 . 1 1 11 11 LEU CB C 13 41.820 0.000 . . . . . . 99 LEU CB . 15698 1 104 . 1 1 11 11 LEU CD1 C 13 23.883 0.000 . . . . . . 99 LEU CD1 . 15698 1 105 . 1 1 11 11 LEU CD2 C 13 24.862 0.000 . . . . . . 99 LEU CD2 . 15698 1 106 . 1 1 11 11 LEU CG C 13 26.981 0.000 . . . . . . 99 LEU CG . 15698 1 107 . 1 1 11 11 LEU N N 15 118.446 0.000 . . . . . . 99 LEU N . 15698 1 108 . 1 1 12 12 TYR H H 1 7.523 0.000 . . . . . . 100 TYR HN . 15698 1 109 . 1 1 12 12 TYR HA H 1 4.369 0.007 . . . . . . 100 TYR HA . 15698 1 110 . 1 1 12 12 TYR HB2 H 1 3.021 0.005 . . . . . . 100 TYR HB2 . 15698 1 111 . 1 1 12 12 TYR HB3 H 1 2.556 0.005 . . . . . . 100 TYR HB3 . 15698 1 112 . 1 1 12 12 TYR HD1 H 1 7.141 0.003 . . . . . . 100 TYR QD . 15698 1 113 . 1 1 12 12 TYR HD2 H 1 7.141 0.003 . . . . . . 100 TYR QD . 15698 1 114 . 1 1 12 12 TYR HE1 H 1 6.803 0.000 . . . . . . 100 TYR QE . 15698 1 115 . 1 1 12 12 TYR HE2 H 1 6.803 0.000 . . . . . . 100 TYR QE . 15698 1 116 . 1 1 12 12 TYR CA C 13 59.861 0.000 . . . . . . 100 TYR CA . 15698 1 117 . 1 1 12 12 TYR CB C 13 39.700 0.000 . . . . . . 100 TYR CB . 15698 1 118 . 1 1 12 12 TYR CD1 C 13 133.773 0.000 . . . . . . 100 TYR CD1 . 15698 1 119 . 1 1 12 12 TYR CE1 C 13 118.294 0.000 . . . . . . 100 TYR CE1 . 15698 1 120 . 1 1 12 12 TYR N N 15 116.280 0.000 . . . . . . 100 TYR N . 15698 1 121 . 1 1 13 13 ASP H H 1 7.945 0.000 . . . . . . 101 ASP HN . 15698 1 122 . 1 1 13 13 ASP HA H 1 4.787 0.005 . . . . . . 101 ASP HA . 15698 1 123 . 1 1 13 13 ASP HB2 H 1 2.557 0.002 . . . . . . 101 ASP HB2 . 15698 1 124 . 1 1 13 13 ASP HB3 H 1 1.936 0.004 . . . . . . 101 ASP HB3 . 15698 1 125 . 1 1 13 13 ASP CA C 13 52.245 0.000 . . . . . . 101 ASP CA . 15698 1 126 . 1 1 13 13 ASP CB C 13 39.537 0.000 . . . . . . 101 ASP CB . 15698 1 127 . 1 1 13 13 ASP N N 15 121.756 0.000 . . . . . . 101 ASP N . 15698 1 128 . 1 1 14 14 LYS H H 1 7.858 0.000 . . . . . . 102 LYS HN . 15698 1 129 . 1 1 14 14 LYS HA H 1 4.033 0.008 . . . . . . 102 LYS HA . 15698 1 130 . 1 1 14 14 LYS HB2 H 1 1.837 0.006 . . . . . . 102 LYS QB . 15698 1 131 . 1 1 14 14 LYS HB3 H 1 1.837 0.006 . . . . . . 102 LYS QB . 15698 1 132 . 1 1 14 14 LYS HD2 H 1 1.697 0.014 . . . . . . 102 LYS QD . 15698 1 133 . 1 1 14 14 LYS HD3 H 1 1.697 0.014 . . . . . . 102 LYS QD . 15698 1 134 . 1 1 14 14 LYS HE2 H 1 3.056 0.012 . . . . . . 102 LYS QE . 15698 1 135 . 1 1 14 14 LYS HE3 H 1 3.056 0.012 . . . . . . 102 LYS QE . 15698 1 136 . 1 1 14 14 LYS HG2 H 1 1.478 0.004 . . . . . . 102 LYS QG . 15698 1 137 . 1 1 14 14 LYS HG3 H 1 1.478 0.004 . . . . . . 102 LYS QG . 15698 1 138 . 1 1 14 14 LYS CA C 13 59.269 0.000 . . . . . . 102 LYS CA . 15698 1 139 . 1 1 14 14 LYS CB C 13 32.688 0.000 . . . . . . 102 LYS CB . 15698 1 140 . 1 1 14 14 LYS CD C 13 28.449 0.000 . . . . . . 102 LYS CD . 15698 1 141 . 1 1 14 14 LYS CE C 13 42.472 0.000 . . . . . . 102 LYS CE . 15698 1 142 . 1 1 14 14 LYS CG C 13 25.188 0.000 . . . . . . 102 LYS CG . 15698 1 143 . 1 1 14 14 LYS N N 15 123.213 0.000 . . . . . . 102 LYS N . 15698 1 144 . 1 1 15 15 GLU H H 1 8.640 0.000 . . . . . . 103 GLU HN . 15698 1 145 . 1 1 15 15 GLU HA H 1 4.218 0.005 . . . . . . 103 GLU HA . 15698 1 146 . 1 1 15 15 GLU HB2 H 1 1.938 0.011 . . . . . . 103 GLU HB2 . 15698 1 147 . 1 1 15 15 GLU HB3 H 1 2.121 0.004 . . . . . . 103 GLU HB3 . 15698 1 148 . 1 1 15 15 GLU HG2 H 1 2.290 0.003 . . . . . . 103 GLU QG . 15698 1 149 . 1 1 15 15 GLU HG3 H 1 2.290 0.003 . . . . . . 103 GLU QG . 15698 1 150 . 1 1 15 15 GLU CA C 13 56.981 0.000 . . . . . . 103 GLU CA . 15698 1 151 . 1 1 15 15 GLU CB C 13 29.753 0.000 . . . . . . 103 GLU CB . 15698 1 152 . 1 1 15 15 GLU CG C 13 37.091 0.000 . . . . . . 103 GLU CG . 15698 1 153 . 1 1 15 15 GLU N N 15 116.301 0.000 . . . . . . 103 GLU N . 15698 1 154 . 1 1 16 16 GLY H H 1 7.824 0.000 . . . . . . 104 GLY HN . 15698 1 155 . 1 1 16 16 GLY HA2 H 1 3.724 0.003 . . . . . . 104 GLY HA1 . 15698 1 156 . 1 1 16 16 GLY HA3 H 1 3.855 0.005 . . . . . . 104 GLY HA2 . 15698 1 157 . 1 1 16 16 GLY CA C 13 47.201 0.000 . . . . . . 104 GLY CA . 15698 1 158 . 1 1 16 16 GLY N N 15 109.341 0.000 . . . . . . 104 GLY N . 15698 1 159 . 1 1 17 17 ASN H H 1 9.620 0.000 . . . . . . 105 ASN HN . 15698 1 160 . 1 1 17 17 ASN HA H 1 4.562 0.009 . . . . . . 105 ASN HA . 15698 1 161 . 1 1 17 17 ASN HB2 H 1 2.414 0.004 . . . . . . 105 ASN HB2 . 15698 1 162 . 1 1 17 17 ASN HB3 H 1 2.295 0.003 . . . . . . 105 ASN HB3 . 15698 1 163 . 1 1 17 17 ASN HD21 H 1 7.013 0.000 . . . . . . 105 ASN HD21 . 15698 1 164 . 1 1 17 17 ASN HD22 H 1 7.636 0.000 . . . . . . 105 ASN HD22 . 15698 1 165 . 1 1 17 17 ASN CA C 13 54.588 0.000 . . . . . . 105 ASN CA . 15698 1 166 . 1 1 17 17 ASN CB C 13 39.374 0.000 . . . . . . 105 ASN CB . 15698 1 167 . 1 1 17 17 ASN N N 15 120.357 0.000 . . . . . . 105 ASN N . 15698 1 168 . 1 1 17 17 ASN ND2 N 15 113.929 0.000 . . . . . . 105 ASN ND2 . 15698 1 169 . 1 1 18 18 GLY H H 1 10.621 0.000 . . . . . . 106 GLY HN . 15698 1 170 . 1 1 18 18 GLY HA2 H 1 3.650 0.006 . . . . . . 106 GLY HA1 . 15698 1 171 . 1 1 18 18 GLY HA3 H 1 4.265 0.004 . . . . . . 106 GLY HA2 . 15698 1 172 . 1 1 18 18 GLY CA C 13 45.733 0.000 . . . . . . 106 GLY CA . 15698 1 173 . 1 1 18 18 GLY N N 15 111.026 0.000 . . . . . . 106 GLY N . 15698 1 174 . 1 1 19 19 TYR H H 1 7.300 0.000 . . . . . . 107 TYR HN . 15698 1 175 . 1 1 19 19 TYR HA H 1 5.472 0.008 . . . . . . 107 TYR HA . 15698 1 176 . 1 1 19 19 TYR HB2 H 1 3.049 0.007 . . . . . . 107 TYR HB2 . 15698 1 177 . 1 1 19 19 TYR HB3 H 1 2.857 0.005 . . . . . . 107 TYR HB3 . 15698 1 178 . 1 1 19 19 TYR HD1 H 1 6.782 0.003 . . . . . . 107 TYR QD . 15698 1 179 . 1 1 19 19 TYR HD2 H 1 6.782 0.003 . . . . . . 107 TYR QD . 15698 1 180 . 1 1 19 19 TYR HE1 H 1 6.800 0.003 . . . . . . 107 TYR QE . 15698 1 181 . 1 1 19 19 TYR HE2 H 1 6.800 0.003 . . . . . . 107 TYR QE . 15698 1 182 . 1 1 19 19 TYR CA C 13 56.346 0.000 . . . . . . 107 TYR CA . 15698 1 183 . 1 1 19 19 TYR CB C 13 40.841 0.000 . . . . . . 107 TYR CB . 15698 1 184 . 1 1 19 19 TYR CD1 C 13 134.108 0.000 . . . . . . 107 TYR CD1 . 15698 1 185 . 1 1 19 19 TYR CE1 C 13 118.294 0.000 . . . . . . 107 TYR CE1 . 15698 1 186 . 1 1 19 19 TYR N N 15 115.597 0.000 . . . . . . 107 TYR N . 15698 1 187 . 1 1 20 20 ILE H H 1 8.866 0.000 . . . . . . 108 ILE HN . 15698 1 188 . 1 1 20 20 ILE HA H 1 4.778 0.000 . . . . . . 108 ILE HA . 15698 1 189 . 1 1 20 20 ILE HB H 1 1.753 0.008 . . . . . . 108 ILE HB . 15698 1 190 . 1 1 20 20 ILE HD11 H 1 0.508 0.008 . . . . . . 108 ILE QD1 . 15698 1 191 . 1 1 20 20 ILE HD12 H 1 0.508 0.008 . . . . . . 108 ILE QD1 . 15698 1 192 . 1 1 20 20 ILE HD13 H 1 0.508 0.008 . . . . . . 108 ILE QD1 . 15698 1 193 . 1 1 20 20 ILE HG12 H 1 1.342 0.003 . . . . . . 108 ILE HG12 . 15698 1 194 . 1 1 20 20 ILE HG13 H 1 1.029 0.007 . . . . . . 108 ILE HG13 . 15698 1 195 . 1 1 20 20 ILE HG21 H 1 0.445 0.012 . . . . . . 108 ILE QG2 . 15698 1 196 . 1 1 20 20 ILE HG22 H 1 0.445 0.012 . . . . . . 108 ILE QG2 . 15698 1 197 . 1 1 20 20 ILE HG23 H 1 0.445 0.012 . . . . . . 108 ILE QG2 . 15698 1 198 . 1 1 20 20 ILE CA C 13 59.275 0.000 . . . . . . 108 ILE CA . 15698 1 199 . 1 1 20 20 ILE CB C 13 42.635 0.000 . . . . . . 108 ILE CB . 15698 1 200 . 1 1 20 20 ILE CD1 C 13 14.263 0.000 . . . . . . 108 ILE CD1 . 15698 1 201 . 1 1 20 20 ILE CG1 C 13 25.677 0.000 . . . . . . 108 ILE CG1 . 15698 1 202 . 1 1 20 20 ILE CG2 C 13 17.524 0.000 . . . . . . 108 ILE CG2 . 15698 1 203 . 1 1 20 20 ILE N N 15 113.436 0.000 . . . . . . 108 ILE N . 15698 1 204 . 1 1 21 21 SER H H 1 8.620 0.000 . . . . . . 109 SER HN . 15698 1 205 . 1 1 21 21 SER HA H 1 5.058 0.003 . . . . . . 109 SER HA . 15698 1 206 . 1 1 21 21 SER HB2 H 1 4.496 0.013 . . . . . . 109 SER HB2 . 15698 1 207 . 1 1 21 21 SER HB3 H 1 4.092 0.007 . . . . . . 109 SER HB3 . 15698 1 208 . 1 1 21 21 SER CA C 13 57.756 0.000 . . . . . . 109 SER CA . 15698 1 209 . 1 1 21 21 SER CB C 13 63.883 0.000 . . . . . . 109 SER CB . 15698 1 210 . 1 1 21 21 SER N N 15 117.553 0.000 . . . . . . 109 SER N . 15698 1 211 . 1 1 22 22 THR H H 1 8.354 0.000 . . . . . . 110 THR HN . 15698 1 212 . 1 1 22 22 THR HA H 1 3.801 0.004 . . . . . . 110 THR HA . 15698 1 213 . 1 1 22 22 THR HB H 1 4.245 0.006 . . . . . . 110 THR HB . 15698 1 214 . 1 1 22 22 THR HG21 H 1 1.101 0.002 . . . . . . 110 THR QG2 . 15698 1 215 . 1 1 22 22 THR HG22 H 1 1.101 0.002 . . . . . . 110 THR QG2 . 15698 1 216 . 1 1 22 22 THR HG23 H 1 1.101 0.002 . . . . . . 110 THR QG2 . 15698 1 217 . 1 1 22 22 THR CA C 13 65.633 0.000 . . . . . . 110 THR CA . 15698 1 218 . 1 1 22 22 THR CB C 13 67.909 0.000 . . . . . . 110 THR CB . 15698 1 219 . 1 1 22 22 THR CG2 C 13 24.209 0.000 . . . . . . 110 THR CG2 . 15698 1 220 . 1 1 22 22 THR N N 15 114.232 0.000 . . . . . . 110 THR N . 15698 1 221 . 1 1 23 23 ASP H H 1 8.177 0.000 . . . . . . 111 ASP HN . 15698 1 222 . 1 1 23 23 ASP HA H 1 4.392 0.005 . . . . . . 111 ASP HA . 15698 1 223 . 1 1 23 23 ASP HB2 H 1 2.702 0.008 . . . . . . 111 ASP HB2 . 15698 1 224 . 1 1 23 23 ASP HB3 H 1 2.595 0.001 . . . . . . 111 ASP HB3 . 15698 1 225 . 1 1 23 23 ASP CA C 13 57.779 0.000 . . . . . . 111 ASP CA . 15698 1 226 . 1 1 23 23 ASP CB C 13 40.352 0.000 . . . . . . 111 ASP CB . 15698 1 227 . 1 1 23 23 ASP N N 15 120.992 0.000 . . . . . . 111 ASP N . 15698 1 228 . 1 1 24 24 VAL H H 1 7.504 0.000 . . . . . . 112 VAL HN . 15698 1 229 . 1 1 24 24 VAL HA H 1 3.744 0.006 . . . . . . 112 VAL HA . 15698 1 230 . 1 1 24 24 VAL HB H 1 2.095 0.004 . . . . . . 112 VAL HB . 15698 1 231 . 1 1 24 24 VAL HG11 H 1 0.710 0.005 . . . . . . 112 VAL QG1 . 15698 1 232 . 1 1 24 24 VAL HG12 H 1 0.710 0.005 . . . . . . 112 VAL QG1 . 15698 1 233 . 1 1 24 24 VAL HG13 H 1 0.710 0.005 . . . . . . 112 VAL QG1 . 15698 1 234 . 1 1 24 24 VAL HG21 H 1 1.033 0.003 . . . . . . 112 VAL QG2 . 15698 1 235 . 1 1 24 24 VAL HG22 H 1 1.033 0.003 . . . . . . 112 VAL QG2 . 15698 1 236 . 1 1 24 24 VAL HG23 H 1 1.033 0.003 . . . . . . 112 VAL QG2 . 15698 1 237 . 1 1 24 24 VAL CA C 13 65.719 0.000 . . . . . . 112 VAL CA . 15698 1 238 . 1 1 24 24 VAL CB C 13 31.741 0.000 . . . . . . 112 VAL CB . 15698 1 239 . 1 1 24 24 VAL CG1 C 13 21.922 0.000 . . . . . . 112 VAL CG1 . 15698 1 240 . 1 1 24 24 VAL CG2 C 13 23.353 0.000 . . . . . . 112 VAL CG2 . 15698 1 241 . 1 1 24 24 VAL N N 15 122.123 0.000 . . . . . . 112 VAL N . 15698 1 242 . 1 1 25 25 MET H H 1 7.984 0.000 . . . . . . 113 MET HN . 15698 1 243 . 1 1 25 25 MET HA H 1 4.069 0.003 . . . . . . 113 MET HA . 15698 1 244 . 1 1 25 25 MET HB2 H 1 2.258 0.001 . . . . . . 113 MET HB2 . 15698 1 245 . 1 1 25 25 MET HB3 H 1 1.818 0.002 . . . . . . 113 MET HB3 . 15698 1 246 . 1 1 25 25 MET HE1 H 1 1.922 0.000 . . . . . . 113 MET QE . 15698 1 247 . 1 1 25 25 MET HE2 H 1 1.922 0.000 . . . . . . 113 MET QE . 15698 1 248 . 1 1 25 25 MET HE3 H 1 1.922 0.000 . . . . . . 113 MET QE . 15698 1 249 . 1 1 25 25 MET HG2 H 1 2.468 0.004 . . . . . . 113 MET HG2 . 15698 1 250 . 1 1 25 25 MET HG3 H 1 2.352 0.001 . . . . . . 113 MET HG3 . 15698 1 251 . 1 1 25 25 MET CA C 13 58.552 0.000 . . . . . . 113 MET CA . 15698 1 252 . 1 1 25 25 MET CB C 13 33.504 0.000 . . . . . . 113 MET CB . 15698 1 253 . 1 1 25 25 MET CE C 13 19.155 0.000 . . . . . . 113 MET CE . 15698 1 254 . 1 1 25 25 MET CG C 13 32.688 0.000 . . . . . . 113 MET CG . 15698 1 255 . 1 1 25 25 MET N N 15 119.521 0.000 . . . . . . 113 MET N . 15698 1 256 . 1 1 26 26 ARG H H 1 8.190 0.000 . . . . . . 114 ARG HN . 15698 1 257 . 1 1 26 26 ARG HA H 1 3.745 0.006 . . . . . . 114 ARG HA . 15698 1 258 . 1 1 26 26 ARG HB2 H 1 1.640 0.008 . . . . . . 114 ARG QB . 15698 1 259 . 1 1 26 26 ARG HB3 H 1 1.640 0.008 . . . . . . 114 ARG QB . 15698 1 260 . 1 1 26 26 ARG HD2 H 1 3.256 0.005 . . . . . . 114 ARG QD . 15698 1 261 . 1 1 26 26 ARG HD3 H 1 3.256 0.005 . . . . . . 114 ARG QD . 15698 1 262 . 1 1 26 26 ARG HE H 1 7.460 0.000 . . . . . . 114 ARG HE . 15698 1 263 . 1 1 26 26 ARG HG2 H 1 1.935 0.008 . . . . . . 114 ARG QG . 15698 1 264 . 1 1 26 26 ARG HG3 H 1 1.935 0.008 . . . . . . 114 ARG QG . 15698 1 265 . 1 1 26 26 ARG CA C 13 60.747 0.000 . . . . . . 114 ARG CA . 15698 1 266 . 1 1 26 26 ARG CB C 13 29.398 0.000 . . . . . . 114 ARG CB . 15698 1 267 . 1 1 26 26 ARG CD C 13 43.457 0.000 . . . . . . 114 ARG CD . 15698 1 268 . 1 1 26 26 ARG CG C 13 30.895 0.000 . . . . . . 114 ARG CG . 15698 1 269 . 1 1 26 26 ARG N N 15 117.832 0.000 . . . . . . 114 ARG N . 15698 1 270 . 1 1 27 27 GLU H H 1 7.265 0.000 . . . . . . 115 GLU HN . 15698 1 271 . 1 1 27 27 GLU HA H 1 4.010 0.000 . . . . . . 115 GLU HA . 15698 1 272 . 1 1 27 27 GLU HB2 H 1 2.257 0.000 . . . . . . 115 GLU QB . 15698 1 273 . 1 1 27 27 GLU HB3 H 1 2.257 0.000 . . . . . . 115 GLU QB . 15698 1 274 . 1 1 27 27 GLU HG2 H 1 2.480 0.000 . . . . . . 115 GLU QG . 15698 1 275 . 1 1 27 27 GLU HG3 H 1 2.480 0.000 . . . . . . 115 GLU QG . 15698 1 276 . 1 1 27 27 GLU CA C 13 59.435 0.000 . . . . . . 115 GLU CA . 15698 1 277 . 1 1 27 27 GLU N N 15 117.949 0.000 . . . . . . 115 GLU N . 15698 1 278 . 1 1 28 28 ILE H H 1 8.074 0.000 . . . . . . 116 ILE HN . 15698 1 279 . 1 1 28 28 ILE HA H 1 3.622 0.009 . . . . . . 116 ILE HA . 15698 1 280 . 1 1 28 28 ILE HB H 1 1.875 0.006 . . . . . . 116 ILE HB . 15698 1 281 . 1 1 28 28 ILE HD11 H 1 0.407 0.003 . . . . . . 116 ILE QD1 . 15698 1 282 . 1 1 28 28 ILE HD12 H 1 0.407 0.003 . . . . . . 116 ILE QD1 . 15698 1 283 . 1 1 28 28 ILE HD13 H 1 0.407 0.003 . . . . . . 116 ILE QD1 . 15698 1 284 . 1 1 28 28 ILE HG12 H 1 1.500 0.004 . . . . . . 116 ILE HG12 . 15698 1 285 . 1 1 28 28 ILE HG13 H 1 0.662 0.005 . . . . . . 116 ILE HG13 . 15698 1 286 . 1 1 28 28 ILE HG21 H 1 0.811 0.006 . . . . . . 116 ILE QG2 . 15698 1 287 . 1 1 28 28 ILE HG22 H 1 0.811 0.006 . . . . . . 116 ILE QG2 . 15698 1 288 . 1 1 28 28 ILE HG23 H 1 0.811 0.006 . . . . . . 116 ILE QG2 . 15698 1 289 . 1 1 28 28 ILE CA C 13 65.633 0.000 . . . . . . 116 ILE CA . 15698 1 290 . 1 1 28 28 ILE CB C 13 38.771 0.000 . . . . . . 116 ILE CB . 15698 1 291 . 1 1 28 28 ILE CD1 C 13 14.752 0.000 . . . . . . 116 ILE CD1 . 15698 1 292 . 1 1 28 28 ILE CG1 C 13 28.726 0.000 . . . . . . 116 ILE CG1 . 15698 1 293 . 1 1 28 28 ILE CG2 C 13 17.361 0.000 . . . . . . 116 ILE CG2 . 15698 1 294 . 1 1 28 28 ILE N N 15 120.582 0.000 . . . . . . 116 ILE N . 15698 1 295 . 1 1 29 29 LEU H H 1 8.183 0.000 . . . . . . 117 LEU HN . 15698 1 296 . 1 1 29 29 LEU HA H 1 3.901 0.008 . . . . . . 117 LEU HA . 15698 1 297 . 1 1 29 29 LEU HB2 H 1 1.875 0.009 . . . . . . 117 LEU HB2 . 15698 1 298 . 1 1 29 29 LEU HB3 H 1 1.265 0.009 . . . . . . 117 LEU HB3 . 15698 1 299 . 1 1 29 29 LEU HD11 H 1 0.843 0.002 . . . . . . 117 LEU QD1 . 15698 1 300 . 1 1 29 29 LEU HD12 H 1 0.843 0.002 . . . . . . 117 LEU QD1 . 15698 1 301 . 1 1 29 29 LEU HD13 H 1 0.843 0.002 . . . . . . 117 LEU QD1 . 15698 1 302 . 1 1 29 29 LEU HD21 H 1 0.827 0.005 . . . . . . 117 LEU QD2 . 15698 1 303 . 1 1 29 29 LEU HD22 H 1 0.827 0.005 . . . . . . 117 LEU QD2 . 15698 1 304 . 1 1 29 29 LEU HD23 H 1 0.827 0.005 . . . . . . 117 LEU QD2 . 15698 1 305 . 1 1 29 29 LEU HG H 1 1.855 0.001 . . . . . . 117 LEU HG . 15698 1 306 . 1 1 29 29 LEU CA C 13 58.103 0.000 . . . . . . 117 LEU CA . 15698 1 307 . 1 1 29 29 LEU CB C 13 42.286 0.000 . . . . . . 117 LEU CB . 15698 1 308 . 1 1 29 29 LEU CD1 C 13 25.883 0.000 . . . . . . 117 LEU CD1 . 15698 1 309 . 1 1 29 29 LEU CD2 C 13 23.068 0.000 . . . . . . 117 LEU CD2 . 15698 1 310 . 1 1 29 29 LEU CG C 13 27.308 0.000 . . . . . . 117 LEU CG . 15698 1 311 . 1 1 29 29 LEU N N 15 118.919 0.000 . . . . . . 117 LEU N . 15698 1 312 . 1 1 30 30 ALA H H 1 7.920 0.000 . . . . . . 118 ALA HN . 15698 1 313 . 1 1 30 30 ALA HA H 1 4.131 0.002 . . . . . . 118 ALA HA . 15698 1 314 . 1 1 30 30 ALA HB1 H 1 1.452 0.008 . . . . . . 118 ALA QB . 15698 1 315 . 1 1 30 30 ALA HB2 H 1 1.452 0.008 . . . . . . 118 ALA QB . 15698 1 316 . 1 1 30 30 ALA HB3 H 1 1.452 0.008 . . . . . . 118 ALA QB . 15698 1 317 . 1 1 30 30 ALA CA C 13 54.588 0.000 . . . . . . 118 ALA CA . 15698 1 318 . 1 1 30 30 ALA CB C 13 18.992 0.000 . . . . . . 118 ALA CB . 15698 1 319 . 1 1 30 30 ALA N N 15 119.224 0.000 . . . . . . 118 ALA N . 15698 1 320 . 1 1 31 31 GLU H H 1 7.553 0.000 . . . . . . 119 GLU HN . 15698 1 321 . 1 1 31 31 GLU HA H 1 4.103 0.001 . . . . . . 119 GLU HA . 15698 1 322 . 1 1 31 31 GLU HB2 H 1 2.145 0.000 . . . . . . 119 GLU QB . 15698 1 323 . 1 1 31 31 GLU HB3 H 1 2.145 0.000 . . . . . . 119 GLU QB . 15698 1 324 . 1 1 31 31 GLU HG2 H 1 2.288 0.000 . . . . . . 119 GLU HG2 . 15698 1 325 . 1 1 31 31 GLU HG3 H 1 2.421 0.000 . . . . . . 119 GLU HG3 . 15698 1 326 . 1 1 31 31 GLU CA C 13 58.126 0.000 . . . . . . 119 GLU CA . 15698 1 327 . 1 1 31 31 GLU CB C 13 30.080 0.000 . . . . . . 119 GLU CB . 15698 1 328 . 1 1 31 31 GLU N N 15 116.043 0.000 . . . . . . 119 GLU N . 15698 1 329 . 1 1 32 32 LEU H H 1 7.774 0.000 . . . . . . 120 LEU HN . 15698 1 330 . 1 1 32 32 LEU HA H 1 4.195 0.011 . . . . . . 120 LEU HA . 15698 1 331 . 1 1 32 32 LEU HB2 H 1 1.625 0.009 . . . . . . 120 LEU HB2 . 15698 1 332 . 1 1 32 32 LEU HB3 H 1 1.833 0.000 . . . . . . 120 LEU HB3 . 15698 1 333 . 1 1 32 32 LEU HD11 H 1 0.877 0.006 . . . . . . 120 LEU QD1 . 15698 1 334 . 1 1 32 32 LEU HD12 H 1 0.877 0.006 . . . . . . 120 LEU QD1 . 15698 1 335 . 1 1 32 32 LEU HD13 H 1 0.877 0.006 . . . . . . 120 LEU QD1 . 15698 1 336 . 1 1 32 32 LEU HD21 H 1 0.844 0.003 . . . . . . 120 LEU QD2 . 15698 1 337 . 1 1 32 32 LEU HD22 H 1 0.844 0.003 . . . . . . 120 LEU QD2 . 15698 1 338 . 1 1 32 32 LEU HD23 H 1 0.844 0.003 . . . . . . 120 LEU QD2 . 15698 1 339 . 1 1 32 32 LEU HG H 1 1.846 0.002 . . . . . . 120 LEU HG . 15698 1 340 . 1 1 32 32 LEU CA C 13 56.946 0.000 . . . . . . 120 LEU CA . 15698 1 341 . 1 1 32 32 LEU CB C 13 42.961 0.000 . . . . . . 120 LEU CB . 15698 1 342 . 1 1 32 32 LEU CD1 C 13 23.720 0.000 . . . . . . 120 LEU CD1 . 15698 1 343 . 1 1 32 32 LEU CD2 C 13 25.840 0.000 . . . . . . 120 LEU CD2 . 15698 1 344 . 1 1 32 32 LEU CG C 13 27.144 0.000 . . . . . . 120 LEU CG . 15698 1 345 . 1 1 32 32 LEU N N 15 119.210 0.000 . . . . . . 120 LEU N . 15698 1 346 . 1 1 33 33 ASP H H 1 7.796 0.000 . . . . . . 121 ASP HN . 15698 1 347 . 1 1 33 33 ASP HA H 1 4.735 0.003 . . . . . . 121 ASP HA . 15698 1 348 . 1 1 33 33 ASP HB2 H 1 2.934 0.002 . . . . . . 121 ASP HB2 . 15698 1 349 . 1 1 33 33 ASP HB3 H 1 2.391 0.006 . . . . . . 121 ASP HB3 . 15698 1 350 . 1 1 33 33 ASP CA C 13 53.409 0.011 . . . . . . 121 ASP CA . 15698 1 351 . 1 1 33 33 ASP CB C 13 41.168 0.000 . . . . . . 121 ASP CB . 15698 1 352 . 1 1 33 33 ASP N N 15 117.407 0.000 . . . . . . 121 ASP N . 15698 1 353 . 1 1 34 34 GLU H H 1 8.884 0.000 . . . . . . 122 GLU HN . 15698 1 354 . 1 1 34 34 GLU HA H 1 4.463 0.007 . . . . . . 122 GLU HA . 15698 1 355 . 1 1 34 34 GLU HB2 H 1 2.139 0.003 . . . . . . 122 GLU HB2 . 15698 1 356 . 1 1 34 34 GLU HB3 H 1 2.189 0.006 . . . . . . 122 GLU HB3 . 15698 1 357 . 1 1 34 34 GLU HG2 H 1 2.256 0.002 . . . . . . 122 GLU HG2 . 15698 1 358 . 1 1 34 34 GLU HG3 H 1 2.367 0.014 . . . . . . 122 GLU HG3 . 15698 1 359 . 1 1 34 34 GLU CA C 13 57.967 0.000 . . . . . . 122 GLU CA . 15698 1 360 . 1 1 34 34 GLU CB C 13 29.753 0.000 . . . . . . 122 GLU CB . 15698 1 361 . 1 1 34 34 GLU CG C 13 36.113 0.000 . . . . . . 122 GLU CG . 15698 1 362 . 1 1 34 34 GLU N N 15 123.975 0.000 . . . . . . 122 GLU N . 15698 1 363 . 1 1 35 35 THR H H 1 8.608 0.000 . . . . . . 123 THR HN . 15698 1 364 . 1 1 35 35 THR HA H 1 4.347 0.006 . . . . . . 123 THR HA . 15698 1 365 . 1 1 35 35 THR HB H 1 4.350 0.000 . . . . . . 123 THR HB . 15698 1 366 . 1 1 35 35 THR HG21 H 1 1.253 0.000 . . . . . . 123 THR QG2 . 15698 1 367 . 1 1 35 35 THR HG22 H 1 1.253 0.000 . . . . . . 123 THR QG2 . 15698 1 368 . 1 1 35 35 THR HG23 H 1 1.253 0.000 . . . . . . 123 THR QG2 . 15698 1 369 . 1 1 35 35 THR CA C 13 62.804 0.000 . . . . . . 123 THR CA . 15698 1 370 . 1 1 35 35 THR CB C 13 69.406 0.000 . . . . . . 123 THR CB . 15698 1 371 . 1 1 35 35 THR CG2 C 13 22.090 0.000 . . . . . . 123 THR CG2 . 15698 1 372 . 1 1 35 35 THR N N 15 111.220 0.000 . . . . . . 123 THR N . 15698 1 373 . 1 1 36 36 LEU H H 1 7.104 0.000 . . . . . . 124 LEU HN . 15698 1 374 . 1 1 36 36 LEU HA H 1 4.461 0.006 . . . . . . 124 LEU HA . 15698 1 375 . 1 1 36 36 LEU HB2 H 1 1.832 0.010 . . . . . . 124 LEU HB2 . 15698 1 376 . 1 1 36 36 LEU HB3 H 1 1.364 0.002 . . . . . . 124 LEU HB3 . 15698 1 377 . 1 1 36 36 LEU HD11 H 1 0.820 0.007 . . . . . . 124 LEU QD1 . 15698 1 378 . 1 1 36 36 LEU HD12 H 1 0.820 0.007 . . . . . . 124 LEU QD1 . 15698 1 379 . 1 1 36 36 LEU HD13 H 1 0.820 0.007 . . . . . . 124 LEU QD1 . 15698 1 380 . 1 1 36 36 LEU HD21 H 1 0.941 0.006 . . . . . . 124 LEU QD2 . 15698 1 381 . 1 1 36 36 LEU HD22 H 1 0.941 0.006 . . . . . . 124 LEU QD2 . 15698 1 382 . 1 1 36 36 LEU HD23 H 1 0.941 0.006 . . . . . . 124 LEU QD2 . 15698 1 383 . 1 1 36 36 LEU HG H 1 1.657 0.006 . . . . . . 124 LEU HG . 15698 1 384 . 1 1 36 36 LEU CA C 13 55.174 0.000 . . . . . . 124 LEU CA . 15698 1 385 . 1 1 36 36 LEU CB C 13 42.635 0.000 . . . . . . 124 LEU CB . 15698 1 386 . 1 1 36 36 LEU CD1 C 13 23.539 0.000 . . . . . . 124 LEU CD1 . 15698 1 387 . 1 1 36 36 LEU CD2 C 13 26.822 0.000 . . . . . . 124 LEU CD2 . 15698 1 388 . 1 1 36 36 LEU CG C 13 26.818 0.000 . . . . . . 124 LEU CG . 15698 1 389 . 1 1 36 36 LEU N N 15 122.774 0.000 . . . . . . 124 LEU N . 15698 1 390 . 1 1 37 37 SER H H 1 9.468 0.000 . . . . . . 125 SER HN . 15698 1 391 . 1 1 37 37 SER HA H 1 4.594 0.007 . . . . . . 125 SER HA . 15698 1 392 . 1 1 37 37 SER HB2 H 1 4.397 0.006 . . . . . . 125 SER HB2 . 15698 1 393 . 1 1 37 37 SER HB3 H 1 4.108 0.004 . . . . . . 125 SER HB3 . 15698 1 394 . 1 1 37 37 SER CA C 13 56.932 0.000 . . . . . . 125 SER CA . 15698 1 395 . 1 1 37 37 SER CB C 13 66.119 0.000 . . . . . . 125 SER CB . 15698 1 396 . 1 1 37 37 SER N N 15 121.762 0.000 . . . . . . 125 SER N . 15698 1 397 . 1 1 38 38 SER H H 1 8.970 0.000 . . . . . . 126 SER HN . 15698 1 398 . 1 1 38 38 SER HA H 1 3.925 0.005 . . . . . . 126 SER HA . 15698 1 399 . 1 1 38 38 SER HB2 H 1 4.080 0.005 . . . . . . 126 SER QB . 15698 1 400 . 1 1 38 38 SER HB3 H 1 4.080 0.005 . . . . . . 126 SER QB . 15698 1 401 . 1 1 38 38 SER CA C 13 63.004 0.000 . . . . . . 126 SER CA . 15698 1 402 . 1 1 38 38 SER CB C 13 62.364 0.000 . . . . . . 126 SER CB . 15698 1 403 . 1 1 38 38 SER N N 15 116.391 0.000 . . . . . . 126 SER N . 15698 1 404 . 1 1 39 39 GLU H H 1 8.468 0.000 . . . . . . 127 GLU HN . 15698 1 405 . 1 1 39 39 GLU HA H 1 4.125 0.005 . . . . . . 127 GLU HA . 15698 1 406 . 1 1 39 39 GLU HB2 H 1 2.130 0.005 . . . . . . 127 GLU HB2 . 15698 1 407 . 1 1 39 39 GLU HB3 H 1 2.008 0.012 . . . . . . 127 GLU HB3 . 15698 1 408 . 1 1 39 39 GLU HG2 H 1 2.325 0.000 . . . . . . 127 GLU HG2 . 15698 1 409 . 1 1 39 39 GLU HG3 H 1 2.410 0.000 . . . . . . 127 GLU HG3 . 15698 1 410 . 1 1 39 39 GLU CA C 13 60.082 0.000 . . . . . . 127 GLU CA . 15698 1 411 . 1 1 39 39 GLU CB C 13 29.427 0.000 . . . . . . 127 GLU CB . 15698 1 412 . 1 1 39 39 GLU CG C 13 36.928 0.000 . . . . . . 127 GLU CG . 15698 1 413 . 1 1 39 39 GLU N N 15 119.790 0.000 . . . . . . 127 GLU N . 15698 1 414 . 1 1 40 40 ASP H H 1 7.981 0.000 . . . . . . 128 ASP HN . 15698 1 415 . 1 1 40 40 ASP HA H 1 4.414 0.007 . . . . . . 128 ASP HA . 15698 1 416 . 1 1 40 40 ASP HB2 H 1 2.986 0.006 . . . . . . 128 ASP HB2 . 15698 1 417 . 1 1 40 40 ASP HB3 H 1 2.637 0.004 . . . . . . 128 ASP HB3 . 15698 1 418 . 1 1 40 40 ASP CA C 13 57.473 0.000 . . . . . . 128 ASP CA . 15698 1 419 . 1 1 40 40 ASP CB C 13 41.331 0.000 . . . . . . 128 ASP CB . 15698 1 420 . 1 1 40 40 ASP N N 15 122.463 0.000 . . . . . . 128 ASP N . 15698 1 421 . 1 1 41 41 LEU H H 1 8.289 0.000 . . . . . . 129 LEU HN . 15698 1 422 . 1 1 41 41 LEU HA H 1 4.019 0.006 . . . . . . 129 LEU HA . 15698 1 423 . 1 1 41 41 LEU HB2 H 1 2.003 0.008 . . . . . . 129 LEU HB2 . 15698 1 424 . 1 1 41 41 LEU HB3 H 1 1.354 0.003 . . . . . . 129 LEU HB3 . 15698 1 425 . 1 1 41 41 LEU HD11 H 1 0.905 0.001 . . . . . . 129 LEU QD1 . 15698 1 426 . 1 1 41 41 LEU HD12 H 1 0.905 0.001 . . . . . . 129 LEU QD1 . 15698 1 427 . 1 1 41 41 LEU HD13 H 1 0.905 0.001 . . . . . . 129 LEU QD1 . 15698 1 428 . 1 1 41 41 LEU HD21 H 1 0.881 0.004 . . . . . . 129 LEU QD2 . 15698 1 429 . 1 1 41 41 LEU HD22 H 1 0.881 0.004 . . . . . . 129 LEU QD2 . 15698 1 430 . 1 1 41 41 LEU HD23 H 1 0.881 0.004 . . . . . . 129 LEU QD2 . 15698 1 431 . 1 1 41 41 LEU HG H 1 1.658 0.006 . . . . . . 129 LEU HG . 15698 1 432 . 1 1 41 41 LEU CA C 13 58.603 0.000 . . . . . . 129 LEU CA . 15698 1 433 . 1 1 41 41 LEU CB C 13 42.146 0.000 . . . . . . 129 LEU CB . 15698 1 434 . 1 1 41 41 LEU CD1 C 13 25.514 0.000 . . . . . . 129 LEU CD1 . 15698 1 435 . 1 1 41 41 LEU CD2 C 13 26.166 0.000 . . . . . . 129 LEU CD2 . 15698 1 436 . 1 1 41 41 LEU CG C 13 27.471 0.000 . . . . . . 129 LEU CG . 15698 1 437 . 1 1 41 41 LEU N N 15 121.708 0.000 . . . . . . 129 LEU N . 15698 1 438 . 1 1 42 42 ASP H H 1 8.353 0.000 . . . . . . 130 ASP HN . 15698 1 439 . 1 1 42 42 ASP HA H 1 4.225 0.004 . . . . . . 130 ASP HA . 15698 1 440 . 1 1 42 42 ASP HB2 H 1 2.830 0.008 . . . . . . 130 ASP HB2 . 15698 1 441 . 1 1 42 42 ASP HB3 H 1 2.731 0.005 . . . . . . 130 ASP HB3 . 15698 1 442 . 1 1 42 42 ASP CA C 13 57.797 0.000 . . . . . . 130 ASP CA . 15698 1 443 . 1 1 42 42 ASP CB C 13 40.352 0.000 . . . . . . 130 ASP CB . 15698 1 444 . 1 1 42 42 ASP N N 15 119.133 0.000 . . . . . . 130 ASP N . 15698 1 445 . 1 1 43 43 ALA H H 1 7.675 0.000 . . . . . . 131 ALA HN . 15698 1 446 . 1 1 43 43 ALA HA H 1 4.196 0.004 . . . . . . 131 ALA HA . 15698 1 447 . 1 1 43 43 ALA HB1 H 1 1.543 0.003 . . . . . . 131 ALA QB . 15698 1 448 . 1 1 43 43 ALA HB2 H 1 1.543 0.003 . . . . . . 131 ALA QB . 15698 1 449 . 1 1 43 43 ALA HB3 H 1 1.543 0.003 . . . . . . 131 ALA QB . 15698 1 450 . 1 1 43 43 ALA CA C 13 55.002 0.000 . . . . . . 131 ALA CA . 15698 1 451 . 1 1 43 43 ALA CB C 13 18.267 0.000 . . . . . . 131 ALA CB . 15698 1 452 . 1 1 43 43 ALA N N 15 121.142 0.000 . . . . . . 131 ALA N . 15698 1 453 . 1 1 44 44 MET H H 1 8.039 0.000 . . . . . . 132 MET HN . 15698 1 454 . 1 1 44 44 MET HA H 1 4.153 0.006 . . . . . . 132 MET HA . 15698 1 455 . 1 1 44 44 MET HB2 H 1 2.217 0.008 . . . . . . 132 MET HB2 . 15698 1 456 . 1 1 44 44 MET HB3 H 1 2.035 0.008 . . . . . . 132 MET HB3 . 15698 1 457 . 1 1 44 44 MET HE1 H 1 2.067 0.003 . . . . . . 132 MET QE . 15698 1 458 . 1 1 44 44 MET HE2 H 1 2.067 0.003 . . . . . . 132 MET QE . 15698 1 459 . 1 1 44 44 MET HE3 H 1 2.067 0.003 . . . . . . 132 MET QE . 15698 1 460 . 1 1 44 44 MET HG2 H 1 2.819 0.005 . . . . . . 132 MET HG2 . 15698 1 461 . 1 1 44 44 MET HG3 H 1 2.500 0.005 . . . . . . 132 MET HG3 . 15698 1 462 . 1 1 44 44 MET CA C 13 59.435 0.000 . . . . . . 132 MET CA . 15698 1 463 . 1 1 44 44 MET CB C 13 33.830 0.000 . . . . . . 132 MET CB . 15698 1 464 . 1 1 44 44 MET CE C 13 17.850 0.000 . . . . . . 132 MET CE . 15698 1 465 . 1 1 44 44 MET CG C 13 33.015 0.000 . . . . . . 132 MET CG . 15698 1 466 . 1 1 44 44 MET N N 15 118.616 0.000 . . . . . . 132 MET N . 15698 1 467 . 1 1 45 45 ILE H H 1 8.322 0.000 . . . . . . 133 ILE HN . 15698 1 468 . 1 1 45 45 ILE HA H 1 3.718 0.004 . . . . . . 133 ILE HA . 15698 1 469 . 1 1 45 45 ILE HB H 1 2.202 0.005 . . . . . . 133 ILE HB . 15698 1 470 . 1 1 45 45 ILE HD11 H 1 0.669 0.005 . . . . . . 133 ILE QD1 . 15698 1 471 . 1 1 45 45 ILE HD12 H 1 0.669 0.005 . . . . . . 133 ILE QD1 . 15698 1 472 . 1 1 45 45 ILE HD13 H 1 0.669 0.005 . . . . . . 133 ILE QD1 . 15698 1 473 . 1 1 45 45 ILE HG12 H 1 1.689 0.005 . . . . . . 133 ILE HG12 . 15698 1 474 . 1 1 45 45 ILE HG13 H 1 1.420 0.006 . . . . . . 133 ILE HG13 . 15698 1 475 . 1 1 45 45 ILE HG21 H 1 0.948 0.007 . . . . . . 133 ILE QG2 . 15698 1 476 . 1 1 45 45 ILE HG22 H 1 0.948 0.007 . . . . . . 133 ILE QG2 . 15698 1 477 . 1 1 45 45 ILE HG23 H 1 0.948 0.007 . . . . . . 133 ILE QG2 . 15698 1 478 . 1 1 45 45 ILE CA C 13 62.804 0.000 . . . . . . 133 ILE CA . 15698 1 479 . 1 1 45 45 ILE CB C 13 35.787 0.000 . . . . . . 133 ILE CB . 15698 1 480 . 1 1 45 45 ILE CD1 C 13 10.512 0.000 . . . . . . 133 ILE CD1 . 15698 1 481 . 1 1 45 45 ILE CG1 C 13 28.123 0.000 . . . . . . 133 ILE CG1 . 15698 1 482 . 1 1 45 45 ILE CG2 C 13 18.267 0.000 . . . . . . 133 ILE CG2 . 15698 1 483 . 1 1 45 45 ILE N N 15 119.464 0.000 . . . . . . 133 ILE N . 15698 1 484 . 1 1 46 46 ASP H H 1 7.995 0.000 . . . . . . 134 ASP HN . 15698 1 485 . 1 1 46 46 ASP HA H 1 4.340 0.000 . . . . . . 134 ASP HA . 15698 1 486 . 1 1 46 46 ASP HB2 H 1 2.758 0.004 . . . . . . 134 ASP HB2 . 15698 1 487 . 1 1 46 46 ASP HB3 H 1 2.633 0.001 . . . . . . 134 ASP HB3 . 15698 1 488 . 1 1 46 46 ASP CA C 13 57.317 0.000 . . . . . . 134 ASP CA . 15698 1 489 . 1 1 46 46 ASP CB C 13 41.005 0.000 . . . . . . 134 ASP CB . 15698 1 490 . 1 1 47 47 GLU H H 1 7.371 0.000 . . . . . . 135 GLU HN . 15698 1 491 . 1 1 47 47 GLU HA H 1 4.106 0.004 . . . . . . 135 GLU HA . 15698 1 492 . 1 1 47 47 GLU HB2 H 1 2.134 0.004 . . . . . . 135 GLU QB . 15698 1 493 . 1 1 47 47 GLU HB3 H 1 2.134 0.004 . . . . . . 135 GLU QB . 15698 1 494 . 1 1 47 47 GLU HG2 H 1 2.413 0.017 . . . . . . 135 GLU HG2 . 15698 1 495 . 1 1 47 47 GLU HG3 H 1 2.251 0.010 . . . . . . 135 GLU HG3 . 15698 1 496 . 1 1 47 47 GLU CA C 13 58.543 0.000 . . . . . . 135 GLU CA . 15698 1 497 . 1 1 47 47 GLU CB C 13 29.916 0.000 . . . . . . 135 GLU CB . 15698 1 498 . 1 1 47 47 GLU CG C 13 36.602 0.000 . . . . . . 135 GLU CG . 15698 1 499 . 1 1 47 47 GLU N N 15 116.443 0.000 . . . . . . 135 GLU N . 15698 1 500 . 1 1 48 48 ILE H H 1 8.523 0.000 . . . . . . 136 ILE HN . 15698 1 501 . 1 1 48 48 ILE HA H 1 4.000 0.000 . . . . . . 136 ILE HA . 15698 1 502 . 1 1 48 48 ILE HB H 1 1.815 0.005 . . . . . . 136 ILE HB . 15698 1 503 . 1 1 48 48 ILE HD11 H 1 0.828 0.002 . . . . . . 136 ILE QD1 . 15698 1 504 . 1 1 48 48 ILE HD12 H 1 0.828 0.002 . . . . . . 136 ILE QD1 . 15698 1 505 . 1 1 48 48 ILE HD13 H 1 0.828 0.002 . . . . . . 136 ILE QD1 . 15698 1 506 . 1 1 48 48 ILE HG12 H 1 1.195 0.006 . . . . . . 136 ILE HG12 . 15698 1 507 . 1 1 48 48 ILE HG13 H 1 1.762 0.021 . . . . . . 136 ILE HG13 . 15698 1 508 . 1 1 48 48 ILE HG21 H 1 0.938 0.006 . . . . . . 136 ILE QG2 . 15698 1 509 . 1 1 48 48 ILE HG22 H 1 0.938 0.006 . . . . . . 136 ILE QG2 . 15698 1 510 . 1 1 48 48 ILE HG23 H 1 0.938 0.006 . . . . . . 136 ILE QG2 . 15698 1 511 . 1 1 48 48 ILE CA C 13 63.676 0.000 . . . . . . 136 ILE CA . 15698 1 512 . 1 1 48 48 ILE CB C 13 39.357 0.000 . . . . . . 136 ILE CB . 15698 1 513 . 1 1 48 48 ILE CD1 C 13 14.952 0.000 . . . . . . 136 ILE CD1 . 15698 1 514 . 1 1 48 48 ILE CG1 C 13 28.775 0.000 . . . . . . 136 ILE CG1 . 15698 1 515 . 1 1 48 48 ILE CG2 C 13 18.267 0.000 . . . . . . 136 ILE CG2 . 15698 1 516 . 1 1 48 48 ILE N N 15 121.250 0.000 . . . . . . 136 ILE N . 15698 1 517 . 1 1 49 49 ASP H H 1 7.840 0.000 . . . . . . 137 ASP HN . 15698 1 518 . 1 1 49 49 ASP HA H 1 5.106 0.006 . . . . . . 137 ASP HA . 15698 1 519 . 1 1 49 49 ASP HB2 H 1 2.151 0.005 . . . . . . 137 ASP HB2 . 15698 1 520 . 1 1 49 49 ASP HB3 H 1 2.846 0.005 . . . . . . 137 ASP HB3 . 15698 1 521 . 1 1 49 49 ASP CA C 13 52.581 0.000 . . . . . . 137 ASP CA . 15698 1 522 . 1 1 49 49 ASP CB C 13 40.189 0.000 . . . . . . 137 ASP CB . 15698 1 523 . 1 1 49 49 ASP N N 15 117.820 0.000 . . . . . . 137 ASP N . 15698 1 524 . 1 1 50 50 ALA H H 1 7.846 0.000 . . . . . . 138 ALA HN . 15698 1 525 . 1 1 50 50 ALA HA H 1 4.181 0.005 . . . . . . 138 ALA HA . 15698 1 526 . 1 1 50 50 ALA HB1 H 1 1.487 0.009 . . . . . . 138 ALA QB . 15698 1 527 . 1 1 50 50 ALA HB2 H 1 1.487 0.009 . . . . . . 138 ALA QB . 15698 1 528 . 1 1 50 50 ALA HB3 H 1 1.487 0.009 . . . . . . 138 ALA QB . 15698 1 529 . 1 1 50 50 ALA CA C 13 55.346 0.000 . . . . . . 138 ALA CA . 15698 1 530 . 1 1 50 50 ALA CB C 13 19.318 0.000 . . . . . . 138 ALA CB . 15698 1 531 . 1 1 50 50 ALA N N 15 125.638 0.000 . . . . . . 138 ALA N . 15698 1 532 . 1 1 51 51 ASP H H 1 8.485 0.000 . . . . . . 139 ASP HN . 15698 1 533 . 1 1 51 51 ASP HA H 1 4.653 0.007 . . . . . . 139 ASP HA . 15698 1 534 . 1 1 51 51 ASP HB2 H 1 2.680 0.002 . . . . . . 139 ASP HB2 . 15698 1 535 . 1 1 51 51 ASP HB3 H 1 2.847 0.002 . . . . . . 139 ASP HB3 . 15698 1 536 . 1 1 51 51 ASP CB C 13 40.841 0.000 . . . . . . 139 ASP CB . 15698 1 537 . 1 1 51 51 ASP N N 15 113.885 0.000 . . . . . . 139 ASP N . 15698 1 538 . 1 1 52 52 GLY H H 1 7.900 0.000 . . . . . . 140 GLY HN . 15698 1 539 . 1 1 52 52 GLY HA2 H 1 3.845 0.001 . . . . . . 140 GLY QA . 15698 1 540 . 1 1 52 52 GLY HA3 H 1 3.845 0.001 . . . . . . 140 GLY QA . 15698 1 541 . 1 1 52 52 GLY CA C 13 47.527 0.000 . . . . . . 140 GLY CA . 15698 1 542 . 1 1 52 52 GLY N N 15 113.060 0.000 . . . . . . 140 GLY N . 15698 1 543 . 1 1 53 53 SER H H 1 9.150 0.000 . . . . . . 141 SER HN . 15698 1 544 . 1 1 53 53 SER HA H 1 4.227 0.005 . . . . . . 141 SER HA . 15698 1 545 . 1 1 53 53 SER HB2 H 1 3.993 0.007 . . . . . . 141 SER HB2 . 15698 1 546 . 1 1 53 53 SER HB3 H 1 3.875 0.004 . . . . . . 141 SER HB3 . 15698 1 547 . 1 1 53 53 SER CA C 13 60.461 0.000 . . . . . . 141 SER CA . 15698 1 548 . 1 1 53 53 SER CB C 13 64.645 0.000 . . . . . . 141 SER CB . 15698 1 549 . 1 1 53 53 SER N N 15 117.771 0.000 . . . . . . 141 SER N . 15698 1 550 . 1 1 54 54 GLY H H 1 10.554 0.000 . . . . . . 142 GLY HN . 15698 1 551 . 1 1 54 54 GLY HA2 H 1 3.781 0.003 . . . . . . 142 GLY HA1 . 15698 1 552 . 1 1 54 54 GLY HA3 H 1 4.210 0.004 . . . . . . 142 GLY HA2 . 15698 1 553 . 1 1 54 54 GLY CA C 13 46.222 0.000 . . . . . . 142 GLY CA . 15698 1 554 . 1 1 54 54 GLY N N 15 115.432 0.000 . . . . . . 142 GLY N . 15698 1 555 . 1 1 55 55 THR H H 1 7.940 0.000 . . . . . . 143 THR HN . 15698 1 556 . 1 1 55 55 THR HA H 1 5.081 0.001 . . . . . . 143 THR HA . 15698 1 557 . 1 1 55 55 THR HB H 1 3.852 0.002 . . . . . . 143 THR HB . 15698 1 558 . 1 1 55 55 THR HG21 H 1 0.820 0.003 . . . . . . 143 THR QG2 . 15698 1 559 . 1 1 55 55 THR HG22 H 1 0.820 0.003 . . . . . . 143 THR QG2 . 15698 1 560 . 1 1 55 55 THR HG23 H 1 0.820 0.003 . . . . . . 143 THR QG2 . 15698 1 561 . 1 1 55 55 THR CA C 13 59.861 0.000 . . . . . . 143 THR CA . 15698 1 562 . 1 1 55 55 THR CB C 13 72.835 0.000 . . . . . . 143 THR CB . 15698 1 563 . 1 1 55 55 THR CG2 C 13 22.090 0.000 . . . . . . 143 THR CG2 . 15698 1 564 . 1 1 55 55 THR N N 15 110.471 0.000 . . . . . . 143 THR N . 15698 1 565 . 1 1 56 56 VAL H H 1 9.090 0.000 . . . . . . 144 VAL HN . 15698 1 566 . 1 1 56 56 VAL HA H 1 4.553 0.004 . . . . . . 144 VAL HA . 15698 1 567 . 1 1 56 56 VAL HB H 1 2.052 0.006 . . . . . . 144 VAL HB . 15698 1 568 . 1 1 56 56 VAL HG11 H 1 1.044 0.008 . . . . . . 144 VAL QG1 . 15698 1 569 . 1 1 56 56 VAL HG12 H 1 1.044 0.008 . . . . . . 144 VAL QG1 . 15698 1 570 . 1 1 56 56 VAL HG13 H 1 1.044 0.008 . . . . . . 144 VAL QG1 . 15698 1 571 . 1 1 56 56 VAL HG21 H 1 0.816 0.003 . . . . . . 144 VAL QG2 . 15698 1 572 . 1 1 56 56 VAL HG22 H 1 0.816 0.003 . . . . . . 144 VAL QG2 . 15698 1 573 . 1 1 56 56 VAL HG23 H 1 0.816 0.003 . . . . . . 144 VAL QG2 . 15698 1 574 . 1 1 56 56 VAL CA C 13 61.032 0.000 . . . . . . 144 VAL CA . 15698 1 575 . 1 1 56 56 VAL CB C 13 35.256 0.000 . . . . . . 144 VAL CB . 15698 1 576 . 1 1 56 56 VAL CG1 C 13 21.796 0.000 . . . . . . 144 VAL CG1 . 15698 1 577 . 1 1 56 56 VAL CG2 C 13 21.274 0.000 . . . . . . 144 VAL CG2 . 15698 1 578 . 1 1 56 56 VAL N N 15 119.565 0.000 . . . . . . 144 VAL N . 15698 1 579 . 1 1 57 57 ASP H H 1 8.870 0.000 . . . . . . 145 ASP HN . 15698 1 580 . 1 1 57 57 ASP HA H 1 5.088 0.012 . . . . . . 145 ASP HA . 15698 1 581 . 1 1 57 57 ASP HB2 H 1 3.001 0.010 . . . . . . 145 ASP HB2 . 15698 1 582 . 1 1 57 57 ASP HB3 H 1 2.836 0.007 . . . . . . 145 ASP HB3 . 15698 1 583 . 1 1 57 57 ASP CA C 13 53.231 0.000 . . . . . . 145 ASP CA . 15698 1 584 . 1 1 57 57 ASP CB C 13 42.146 0.000 . . . . . . 145 ASP CB . 15698 1 585 . 1 1 57 57 ASP N N 15 126.198 0.000 . . . . . . 145 ASP N . 15698 1 586 . 1 1 58 58 PHE H H 1 8.223 0.000 . . . . . . 146 PHE HN . 15698 1 587 . 1 1 58 58 PHE HA H 1 3.538 0.005 . . . . . . 146 PHE HA . 15698 1 588 . 1 1 58 58 PHE HB2 H 1 2.633 0.004 . . . . . . 146 PHE HB2 . 15698 1 589 . 1 1 58 58 PHE HB3 H 1 2.502 0.004 . . . . . . 146 PHE HB3 . 15698 1 590 . 1 1 58 58 PHE HD1 H 1 6.533 0.005 . . . . . . 146 PHE QD . 15698 1 591 . 1 1 58 58 PHE HD2 H 1 6.533 0.005 . . . . . . 146 PHE QD . 15698 1 592 . 1 1 58 58 PHE HE1 H 1 7.000 0.002 . . . . . . 146 PHE QE . 15698 1 593 . 1 1 58 58 PHE HE2 H 1 7.000 0.002 . . . . . . 146 PHE QE . 15698 1 594 . 1 1 58 58 PHE HZ H 1 7.214 0.011 . . . . . . 146 PHE HZ . 15698 1 595 . 1 1 58 58 PHE CA C 13 61.718 0.000 . . . . . . 146 PHE CA . 15698 1 596 . 1 1 58 58 PHE CB C 13 39.211 0.000 . . . . . . 146 PHE CB . 15698 1 597 . 1 1 58 58 PHE CD1 C 13 132.156 0.000 . . . . . . 146 PHE CD1 . 15698 1 598 . 1 1 58 58 PHE CE1 C 13 131.339 0.000 . . . . . . 146 PHE CE1 . 15698 1 599 . 1 1 58 58 PHE CZ C 13 130.035 0.000 . . . . . . 146 PHE CZ . 15698 1 600 . 1 1 59 59 GLU H H 1 8.347 0.000 . . . . . . 147 GLU HN . 15698 1 601 . 1 1 59 59 GLU HA H 1 3.746 0.005 . . . . . . 147 GLU HA . 15698 1 602 . 1 1 59 59 GLU HB2 H 1 2.013 0.008 . . . . . . 147 GLU HB2 . 15698 1 603 . 1 1 59 59 GLU HB3 H 1 2.074 0.007 . . . . . . 147 GLU HB3 . 15698 1 604 . 1 1 59 59 GLU HG2 H 1 2.334 0.008 . . . . . . 147 GLU QG . 15698 1 605 . 1 1 59 59 GLU HG3 H 1 2.334 0.008 . . . . . . 147 GLU QG . 15698 1 606 . 1 1 59 59 GLU CA C 13 60.061 0.000 . . . . . . 147 GLU CA . 15698 1 607 . 1 1 59 59 GLU CB C 13 29.101 0.000 . . . . . . 147 GLU CB . 15698 1 608 . 1 1 59 59 GLU CG C 13 37.091 0.000 . . . . . . 147 GLU CG . 15698 1 609 . 1 1 59 59 GLU N N 15 118.710 0.000 . . . . . . 147 GLU N . 15698 1 610 . 1 1 60 60 GLU H H 1 8.380 0.000 . . . . . . 148 GLU HN . 15698 1 611 . 1 1 60 60 GLU HA H 1 4.037 0.000 . . . . . . 148 GLU HA . 15698 1 612 . 1 1 60 60 GLU HB2 H 1 1.990 0.000 . . . . . . 148 GLU HB2 . 15698 1 613 . 1 1 60 60 GLU HB3 H 1 2.326 0.000 . . . . . . 148 GLU HB3 . 15698 1 614 . 1 1 60 60 GLU HG2 H 1 2.501 0.000 . . . . . . 148 GLU QG . 15698 1 615 . 1 1 60 60 GLU HG3 H 1 2.501 0.000 . . . . . . 148 GLU QG . 15698 1 616 . 1 1 60 60 GLU CA C 13 59.920 0.000 . . . . . . 148 GLU CA . 15698 1 617 . 1 1 60 60 GLU CB C 13 30.080 0.000 . . . . . . 148 GLU CB . 15698 1 618 . 1 1 60 60 GLU N N 15 121.774 0.000 . . . . . . 148 GLU N . 15698 1 619 . 1 1 61 61 PHE H H 1 8.421 0.000 . . . . . . 149 PHE HN . 15698 1 620 . 1 1 61 61 PHE HA H 1 4.083 0.001 . . . . . . 149 PHE HA . 15698 1 621 . 1 1 61 61 PHE HB2 H 1 3.196 0.003 . . . . . . 149 PHE HB2 . 15698 1 622 . 1 1 61 61 PHE HB3 H 1 3.068 0.004 . . . . . . 149 PHE HB3 . 15698 1 623 . 1 1 61 61 PHE HD1 H 1 7.078 0.000 . . . . . . 149 PHE QD . 15698 1 624 . 1 1 61 61 PHE HD2 H 1 7.078 0.000 . . . . . . 149 PHE QD . 15698 1 625 . 1 1 61 61 PHE HE1 H 1 7.366 0.005 . . . . . . 149 PHE QE . 15698 1 626 . 1 1 61 61 PHE HE2 H 1 7.366 0.005 . . . . . . 149 PHE QE . 15698 1 627 . 1 1 61 61 PHE HZ H 1 7.300 0.011 . . . . . . 149 PHE HZ . 15698 1 628 . 1 1 61 61 PHE CA C 13 61.232 0.000 . . . . . . 149 PHE CA . 15698 1 629 . 1 1 61 61 PHE CB C 13 39.863 0.000 . . . . . . 149 PHE CB . 15698 1 630 . 1 1 61 61 PHE CD1 C 13 132.480 0.000 . . . . . . 149 PHE CD1 . 15698 1 631 . 1 1 61 61 PHE CE1 C 13 131.826 0.000 . . . . . . 149 PHE CE1 . 15698 1 632 . 1 1 61 61 PHE CZ C 13 129.545 0.000 . . . . . . 149 PHE CZ . 15698 1 633 . 1 1 61 61 PHE N N 15 121.039 0.000 . . . . . . 149 PHE N . 15698 1 634 . 1 1 62 62 MET H H 1 8.446 0.000 . . . . . . 150 MET HN . 15698 1 635 . 1 1 62 62 MET HA H 1 3.857 0.001 . . . . . . 150 MET HA . 15698 1 636 . 1 1 62 62 MET HB2 H 1 1.726 0.017 . . . . . . 150 MET HB2 . 15698 1 637 . 1 1 62 62 MET HB3 H 1 1.778 0.017 . . . . . . 150 MET HB3 . 15698 1 638 . 1 1 62 62 MET HE1 H 1 2.099 0.007 . . . . . . 150 MET QE . 15698 1 639 . 1 1 62 62 MET HE2 H 1 2.099 0.007 . . . . . . 150 MET QE . 15698 1 640 . 1 1 62 62 MET HE3 H 1 2.099 0.007 . . . . . . 150 MET QE . 15698 1 641 . 1 1 62 62 MET HG2 H 1 1.960 0.002 . . . . . . 150 MET HG2 . 15698 1 642 . 1 1 62 62 MET HG3 H 1 2.121 0.008 . . . . . . 150 MET HG3 . 15698 1 643 . 1 1 62 62 MET CA C 13 57.310 0.000 . . . . . . 150 MET CA . 15698 1 644 . 1 1 62 62 MET CB C 13 31.221 0.000 . . . . . . 150 MET CB . 15698 1 645 . 1 1 62 62 MET CE C 13 17.361 0.000 . . . . . . 150 MET CE . 15698 1 646 . 1 1 62 62 MET CG C 13 32.327 0.000 . . . . . . 150 MET CG . 15698 1 647 . 1 1 62 62 MET N N 15 117.673 0.000 . . . . . . 150 MET N . 15698 1 648 . 1 1 63 63 GLY H H 1 7.889 0.000 . . . . . . 151 GLY HN . 15698 1 649 . 1 1 63 63 GLY HA2 H 1 3.774 0.006 . . . . . . 151 GLY HA1 . 15698 1 650 . 1 1 63 63 GLY HA3 H 1 3.871 0.003 . . . . . . 151 GLY HA2 . 15698 1 651 . 1 1 63 63 GLY CA C 13 47.038 0.000 . . . . . . 151 GLY CA . 15698 1 652 . 1 1 63 63 GLY N N 15 107.497 0.000 . . . . . . 151 GLY N . 15698 1 653 . 1 1 64 64 VAL H H 1 7.571 0.000 . . . . . . 152 VAL HN . 15698 1 654 . 1 1 64 64 VAL HA H 1 3.937 0.010 . . . . . . 152 VAL HA . 15698 1 655 . 1 1 64 64 VAL HB H 1 2.037 0.006 . . . . . . 152 VAL HB . 15698 1 656 . 1 1 64 64 VAL HG11 H 1 0.877 0.007 . . . . . . 152 VAL QG1 . 15698 1 657 . 1 1 64 64 VAL HG12 H 1 0.877 0.007 . . . . . . 152 VAL QG1 . 15698 1 658 . 1 1 64 64 VAL HG13 H 1 0.877 0.007 . . . . . . 152 VAL QG1 . 15698 1 659 . 1 1 64 64 VAL HG21 H 1 0.996 0.002 . . . . . . 152 VAL QG2 . 15698 1 660 . 1 1 64 64 VAL HG22 H 1 0.996 0.002 . . . . . . 152 VAL QG2 . 15698 1 661 . 1 1 64 64 VAL HG23 H 1 0.996 0.002 . . . . . . 152 VAL QG2 . 15698 1 662 . 1 1 64 64 VAL CA C 13 64.547 0.000 . . . . . . 152 VAL CA . 15698 1 663 . 1 1 64 64 VAL CB C 13 32.362 0.000 . . . . . . 152 VAL CB . 15698 1 664 . 1 1 64 64 VAL CG1 C 13 21.600 0.000 . . . . . . 152 VAL CG1 . 15698 1 665 . 1 1 64 64 VAL CG2 C 13 22.368 0.000 . . . . . . 152 VAL CG2 . 15698 1 666 . 1 1 64 64 VAL N N 15 119.340 0.000 . . . . . . 152 VAL N . 15698 1 667 . 1 1 65 65 MET H H 1 7.773 0.000 . . . . . . 153 MET HN . 15698 1 668 . 1 1 65 65 MET HA H 1 4.367 0.004 . . . . . . 153 MET HA . 15698 1 669 . 1 1 65 65 MET HB2 H 1 1.716 0.009 . . . . . . 153 MET HB2 . 15698 1 670 . 1 1 65 65 MET HB3 H 1 1.866 0.010 . . . . . . 153 MET HB3 . 15698 1 671 . 1 1 65 65 MET HE1 H 1 1.862 0.000 . . . . . . 153 MET QE . 15698 1 672 . 1 1 65 65 MET HE2 H 1 1.862 0.000 . . . . . . 153 MET QE . 15698 1 673 . 1 1 65 65 MET HE3 H 1 1.862 0.000 . . . . . . 153 MET QE . 15698 1 674 . 1 1 65 65 MET HG2 H 1 2.041 0.004 . . . . . . 153 MET QG . 15698 1 675 . 1 1 65 65 MET HG3 H 1 2.041 0.004 . . . . . . 153 MET QG . 15698 1 676 . 1 1 65 65 MET CA C 13 55.874 0.000 . . . . . . 153 MET CA . 15698 1 677 . 1 1 65 65 MET CB C 13 32.525 0.000 . . . . . . 153 MET CB . 15698 1 678 . 1 1 65 65 MET CE C 13 17.198 0.000 . . . . . . 153 MET CE . 15698 1 679 . 1 1 65 65 MET CG C 13 32.036 0.000 . . . . . . 153 MET CG . 15698 1 680 . 1 1 65 65 MET N N 15 117.775 0.000 . . . . . . 153 MET N . 15698 1 681 . 1 1 66 66 THR H H 1 7.789 0.000 . . . . . . 154 THR HN . 15698 1 682 . 1 1 66 66 THR HA H 1 4.403 0.004 . . . . . . 154 THR HA . 15698 1 683 . 1 1 66 66 THR HB H 1 4.318 0.005 . . . . . . 154 THR HB . 15698 1 684 . 1 1 66 66 THR HG21 H 1 1.169 0.002 . . . . . . 154 THR QG2 . 15698 1 685 . 1 1 66 66 THR HG22 H 1 1.169 0.002 . . . . . . 154 THR QG2 . 15698 1 686 . 1 1 66 66 THR HG23 H 1 1.169 0.002 . . . . . . 154 THR QG2 . 15698 1 687 . 1 1 66 66 THR CA C 13 62.204 0.000 . . . . . . 154 THR CA . 15698 1 688 . 1 1 66 66 THR CB C 13 70.577 0.000 . . . . . . 154 THR CB . 15698 1 689 . 1 1 66 66 THR CG2 C 13 21.764 0.000 . . . . . . 154 THR CG2 . 15698 1 690 . 1 1 66 66 THR N N 15 110.197 0.000 . . . . . . 154 THR N . 15698 1 691 . 1 1 67 67 GLY H H 1 7.961 0.000 . . . . . . 155 GLY HN . 15698 1 692 . 1 1 67 67 GLY HA2 H 1 4.017 0.002 . . . . . . 155 GLY QA . 15698 1 693 . 1 1 67 67 GLY HA3 H 1 4.017 0.002 . . . . . . 155 GLY QA . 15698 1 694 . 1 1 67 67 GLY CA C 13 45.896 0.000 . . . . . . 155 GLY CA . 15698 1 695 . 1 1 67 67 GLY N N 15 110.658 0.000 . . . . . . 155 GLY N . 15698 1 696 . 1 1 68 68 GLY H H 1 8.313 0.000 . . . . . . 156 GLY HN . 15698 1 697 . 1 1 68 68 GLY HA2 H 1 3.990 0.001 . . . . . . 156 GLY QA . 15698 1 698 . 1 1 68 68 GLY HA3 H 1 3.990 0.001 . . . . . . 156 GLY QA . 15698 1 699 . 1 1 68 68 GLY CA C 13 45.407 0.000 . . . . . . 156 GLY CA . 15698 1 700 . 1 1 68 68 GLY N N 15 108.792 0.000 . . . . . . 156 GLY N . 15698 1 701 . 1 1 69 69 ASP H H 1 8.290 0.000 . . . . . . 157 ASP HN . 15698 1 702 . 1 1 69 69 ASP HA H 1 4.666 0.005 . . . . . . 157 ASP HA . 15698 1 703 . 1 1 69 69 ASP HB2 H 1 2.736 0.004 . . . . . . 157 ASP HB2 . 15698 1 704 . 1 1 69 69 ASP HB3 H 1 2.583 0.005 . . . . . . 157 ASP HB3 . 15698 1 705 . 1 1 69 69 ASP CA C 13 54.588 0.000 . . . . . . 157 ASP CA . 15698 1 706 . 1 1 69 69 ASP CB C 13 41.700 0.000 . . . . . . 157 ASP CB . 15698 1 707 . 1 1 69 69 ASP N N 15 120.766 0.000 . . . . . . 157 ASP N . 15698 1 708 . 1 1 70 70 GLU H H 1 7.988 0.000 . . . . . . 158 GLU HN . 15698 1 709 . 1 1 70 70 GLU HA H 1 4.111 0.000 . . . . . . 158 GLU HA . 15698 1 710 . 1 1 70 70 GLU HB2 H 1 1.955 0.000 . . . . . . 158 GLU QB . 15698 1 711 . 1 1 70 70 GLU HB3 H 1 1.955 0.000 . . . . . . 158 GLU QB . 15698 1 712 . 1 1 70 70 GLU HG2 H 1 2.211 0.000 . . . . . . 158 GLU QG . 15698 1 713 . 1 1 70 70 GLU HG3 H 1 2.211 0.000 . . . . . . 158 GLU QG . 15698 1 714 . 1 1 70 70 GLU CA C 13 58.040 0.000 . . . . . . 158 GLU CA . 15698 1 715 . 1 1 70 70 GLU CB C 13 31.270 0.000 . . . . . . 158 GLU CB . 15698 1 716 . 1 1 70 70 GLU N N 15 125.726 0.000 . . . . . . 158 GLU N . 15698 1 stop_ save_