data_25067 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25067 _Entry.Title ; Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR459 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-02 _Entry.Accession_date 2014-07-02 _Entry.Last_release_date 2014-09-15 _Entry.Original_release_date 2014-09-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 'Surya VSRK' Pulavarti . VSRK . 25067 2 Yakov Kipnis . . . 25067 3 Dinesh Sukumaran . . . 25067 4 Melissa Maglaqui . . . 25067 5 Haleema Janjua . . . 25067 6 Lei Mao . . . 25067 7 Rong Xiao . . . 25067 8 Greg Kornhaber . . . 25067 9 David Baker . . . 25067 10 Gaetano Montelione . . . 25067 11 Thomas Szyperski . . . 25067 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 PSI:Biology 'Northeast Structural Genomics Consortium' . 25067 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Structural Genomics' . 25067 'Protein NMR' . 25067 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 25067 'Target OR459' . 25067 PSI-Biology . 25067 'Protein Structure Initiative' . 25067 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25067 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 782 25067 '13C chemical shifts' 486 25067 '15N chemical shifts' 104 25067 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-09-15 2014-07-02 original author . 25067 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MRA 'BMRB Entry Tracking System' 25067 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25067 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR459' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 'Surya VSRK' Pulavarti . VSRK . 25067 1 2 Yakov Kipnis . . . 25067 1 3 Dinesh Sukumaran . . . 25067 1 4 Melissa Maglaqui . . . 25067 1 5 Haleema Janjua . . . 25067 1 6 Lei Mao . . . 25067 1 7 Rong Xiao . . . 25067 1 8 Greg Kornhaber . . . 25067 1 9 David Baker . . . 25067 1 10 Gaetano Montelione . . . 25067 1 11 Thomas Szyperski . . . 25067 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25067 _Assembly.ID 1 _Assembly.Name 'NESG Target OR459' _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 OR459 1 $OR459 A . yes native no no . . . 25067 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OR459 _Entity.Sf_category entity _Entity.Sf_framecode OR459 _Entity.Entry_ID 25067 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OR459 _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 ; MAGKELRVEIKIDCGNDDKE TTYDLYFSKAEEAKELLKKV AEKAADKIKKQGCKRVKIRF EKKGLDDDARKKAKKWALEV ANKIANELGAKQSTTTTDGD TFEVEVILELEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _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 13406.451 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-09-28 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 1 no PDB 2MRA . "Solution Nmr Structure Of De Novo Designed Protein, Northeast Structural Genomics Consortium (nesg) Target Or459" . . . . . 100.00 117 100.00 100.00 8.34e-76 . . . . 25067 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 1 MET . 25067 1 2 2 ALA . 25067 1 3 3 GLY . 25067 1 4 4 LYS . 25067 1 5 5 GLU . 25067 1 6 6 LEU . 25067 1 7 7 ARG . 25067 1 8 8 VAL . 25067 1 9 9 GLU . 25067 1 10 10 ILE . 25067 1 11 11 LYS . 25067 1 12 12 ILE . 25067 1 13 13 ASP . 25067 1 14 14 CYS . 25067 1 15 15 GLY . 25067 1 16 16 ASN . 25067 1 17 17 ASP . 25067 1 18 18 ASP . 25067 1 19 19 LYS . 25067 1 20 20 GLU . 25067 1 21 21 THR . 25067 1 22 22 THR . 25067 1 23 23 TYR . 25067 1 24 24 ASP . 25067 1 25 25 LEU . 25067 1 26 26 TYR . 25067 1 27 27 PHE . 25067 1 28 28 SER . 25067 1 29 29 LYS . 25067 1 30 30 ALA . 25067 1 31 31 GLU . 25067 1 32 32 GLU . 25067 1 33 33 ALA . 25067 1 34 34 LYS . 25067 1 35 35 GLU . 25067 1 36 36 LEU . 25067 1 37 37 LEU . 25067 1 38 38 LYS . 25067 1 39 39 LYS . 25067 1 40 40 VAL . 25067 1 41 41 ALA . 25067 1 42 42 GLU . 25067 1 43 43 LYS . 25067 1 44 44 ALA . 25067 1 45 45 ALA . 25067 1 46 46 ASP . 25067 1 47 47 LYS . 25067 1 48 48 ILE . 25067 1 49 49 LYS . 25067 1 50 50 LYS . 25067 1 51 51 GLN . 25067 1 52 52 GLY . 25067 1 53 53 CYS . 25067 1 54 54 LYS . 25067 1 55 55 ARG . 25067 1 56 56 VAL . 25067 1 57 57 LYS . 25067 1 58 58 ILE . 25067 1 59 59 ARG . 25067 1 60 60 PHE . 25067 1 61 61 GLU . 25067 1 62 62 LYS . 25067 1 63 63 LYS . 25067 1 64 64 GLY . 25067 1 65 65 LEU . 25067 1 66 66 ASP . 25067 1 67 67 ASP . 25067 1 68 68 ASP . 25067 1 69 69 ALA . 25067 1 70 70 ARG . 25067 1 71 71 LYS . 25067 1 72 72 LYS . 25067 1 73 73 ALA . 25067 1 74 74 LYS . 25067 1 75 75 LYS . 25067 1 76 76 TRP . 25067 1 77 77 ALA . 25067 1 78 78 LEU . 25067 1 79 79 GLU . 25067 1 80 80 VAL . 25067 1 81 81 ALA . 25067 1 82 82 ASN . 25067 1 83 83 LYS . 25067 1 84 84 ILE . 25067 1 85 85 ALA . 25067 1 86 86 ASN . 25067 1 87 87 GLU . 25067 1 88 88 LEU . 25067 1 89 89 GLY . 25067 1 90 90 ALA . 25067 1 91 91 LYS . 25067 1 92 92 GLN . 25067 1 93 93 SER . 25067 1 94 94 THR . 25067 1 95 95 THR . 25067 1 96 96 THR . 25067 1 97 97 THR . 25067 1 98 98 ASP . 25067 1 99 99 GLY . 25067 1 100 100 ASP . 25067 1 101 101 THR . 25067 1 102 102 PHE . 25067 1 103 103 GLU . 25067 1 104 104 VAL . 25067 1 105 105 GLU . 25067 1 106 106 VAL . 25067 1 107 107 ILE . 25067 1 108 108 LEU . 25067 1 109 109 GLU . 25067 1 110 110 LEU . 25067 1 111 111 GLU . 25067 1 112 112 HIS . 25067 1 113 113 HIS . 25067 1 114 114 HIS . 25067 1 115 115 HIS . 25067 1 116 116 HIS . 25067 1 117 117 HIS . 25067 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 25067 1 . ALA 2 2 25067 1 . GLY 3 3 25067 1 . LYS 4 4 25067 1 . GLU 5 5 25067 1 . LEU 6 6 25067 1 . ARG 7 7 25067 1 . VAL 8 8 25067 1 . GLU 9 9 25067 1 . ILE 10 10 25067 1 . LYS 11 11 25067 1 . ILE 12 12 25067 1 . ASP 13 13 25067 1 . CYS 14 14 25067 1 . GLY 15 15 25067 1 . ASN 16 16 25067 1 . ASP 17 17 25067 1 . ASP 18 18 25067 1 . LYS 19 19 25067 1 . GLU 20 20 25067 1 . THR 21 21 25067 1 . THR 22 22 25067 1 . TYR 23 23 25067 1 . ASP 24 24 25067 1 . LEU 25 25 25067 1 . TYR 26 26 25067 1 . PHE 27 27 25067 1 . SER 28 28 25067 1 . LYS 29 29 25067 1 . ALA 30 30 25067 1 . GLU 31 31 25067 1 . GLU 32 32 25067 1 . ALA 33 33 25067 1 . LYS 34 34 25067 1 . GLU 35 35 25067 1 . LEU 36 36 25067 1 . LEU 37 37 25067 1 . LYS 38 38 25067 1 . LYS 39 39 25067 1 . VAL 40 40 25067 1 . ALA 41 41 25067 1 . GLU 42 42 25067 1 . LYS 43 43 25067 1 . ALA 44 44 25067 1 . ALA 45 45 25067 1 . ASP 46 46 25067 1 . LYS 47 47 25067 1 . ILE 48 48 25067 1 . LYS 49 49 25067 1 . LYS 50 50 25067 1 . GLN 51 51 25067 1 . GLY 52 52 25067 1 . CYS 53 53 25067 1 . LYS 54 54 25067 1 . ARG 55 55 25067 1 . VAL 56 56 25067 1 . LYS 57 57 25067 1 . ILE 58 58 25067 1 . ARG 59 59 25067 1 . PHE 60 60 25067 1 . GLU 61 61 25067 1 . LYS 62 62 25067 1 . LYS 63 63 25067 1 . GLY 64 64 25067 1 . LEU 65 65 25067 1 . ASP 66 66 25067 1 . ASP 67 67 25067 1 . ASP 68 68 25067 1 . ALA 69 69 25067 1 . ARG 70 70 25067 1 . LYS 71 71 25067 1 . LYS 72 72 25067 1 . ALA 73 73 25067 1 . LYS 74 74 25067 1 . LYS 75 75 25067 1 . TRP 76 76 25067 1 . ALA 77 77 25067 1 . LEU 78 78 25067 1 . GLU 79 79 25067 1 . VAL 80 80 25067 1 . ALA 81 81 25067 1 . ASN 82 82 25067 1 . LYS 83 83 25067 1 . ILE 84 84 25067 1 . ALA 85 85 25067 1 . ASN 86 86 25067 1 . GLU 87 87 25067 1 . LEU 88 88 25067 1 . GLY 89 89 25067 1 . ALA 90 90 25067 1 . LYS 91 91 25067 1 . GLN 92 92 25067 1 . SER 93 93 25067 1 . THR 94 94 25067 1 . THR 95 95 25067 1 . THR 96 96 25067 1 . THR 97 97 25067 1 . ASP 98 98 25067 1 . GLY 99 99 25067 1 . ASP 100 100 25067 1 . THR 101 101 25067 1 . PHE 102 102 25067 1 . GLU 103 103 25067 1 . VAL 104 104 25067 1 . GLU 105 105 25067 1 . VAL 106 106 25067 1 . ILE 107 107 25067 1 . LEU 108 108 25067 1 . GLU 109 109 25067 1 . LEU 110 110 25067 1 . GLU 111 111 25067 1 . HIS 112 112 25067 1 . HIS 113 113 25067 1 . HIS 114 114 25067 1 . HIS 115 115 25067 1 . HIS 116 116 25067 1 . HIS 117 117 25067 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 25067 _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 $OR459 . . engineered . Other . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25067 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 25067 _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 $OR459 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET21_NESG . . . . . . 25067 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25067 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.17 mM OR459.005, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H2O 'natural abundance' . . . . . . 90 . . % 0.005 . . . 25067 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25067 1 3 OR459.005 [U-13C,15N] . . 1 $OR459 . . 1.17 . . mM . . . . 25067 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25067 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.17 mM OR459.005, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25067 2 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25067 2 3 OR459.005 '[5% 13C; U-15N]' . . 1 $OR459 . . 1.17 . . mM . . . . 25067 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 25067 _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 pH 7.4 . pH 25067 1 pressure 1 . atm 25067 1 temperature 298 . K 25067 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25067 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25067 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 25067 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25067 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25067 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 25067 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 25067 _Software.ID 3 _Software.Name AutoStructure _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 25067 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 25067 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 25067 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 25067 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 25067 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25067 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 25067 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Analysis 25067 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25067 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25067 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 25067 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25067 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25067 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25067 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25067 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25067 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25067 8 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 25067 _Software.ID 9 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 25067 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25067 9 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 25067 _Software.ID 10 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 25067 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 25067 10 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 25067 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 25067 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 25067 _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 . 600 . 1 $citations 25067 1 2 spectrometer_2 Varian INOVA . 750 . 1 $citations 25067 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 25067 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25067 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25067 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25067 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25067 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25067 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25067 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25067 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25067 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25067 1 10 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25067 1 11 GFT-4,3d-hcch-COSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25067 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25067 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 25067 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25067 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25067 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25067 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 25067 _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' . . . 25067 1 3 '3D HNCO' . . . 25067 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 25067 1 10 '3D HN(CA)CO' . . . 25067 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 5 $CARA . . 25067 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 2 2 ALA HA H 1 4.120 0.030 . 1 . . . A 2 ALA HA . 25067 1 2 . 1 1 2 2 ALA HB1 H 1 1.546 0.030 . 1 . . . A 2 ALA HB1 . 25067 1 3 . 1 1 2 2 ALA HB2 H 1 1.546 0.030 . 1 . . . A 2 ALA HB2 . 25067 1 4 . 1 1 2 2 ALA HB3 H 1 1.546 0.030 . 1 . . . A 2 ALA HB3 . 25067 1 5 . 1 1 2 2 ALA CA C 13 52.161 0.600 . 1 . . . A 2 ALA CA . 25067 1 6 . 1 1 2 2 ALA CB C 13 19.392 0.600 . 1 . . . A 2 ALA CB . 25067 1 7 . 1 1 4 4 LYS HA H 1 4.378 0.030 . 1 . . . A 4 LYS HA . 25067 1 8 . 1 1 4 4 LYS HB2 H 1 1.871 0.030 . 2 . . . A 4 LYS HB2 . 25067 1 9 . 1 1 4 4 LYS HB3 H 1 1.805 0.030 . 2 . . . A 4 LYS HB3 . 25067 1 10 . 1 1 4 4 LYS HG2 H 1 1.477 0.030 . 1 . . . A 4 LYS HG2 . 25067 1 11 . 1 1 4 4 LYS HG3 H 1 1.477 0.030 . 1 . . . A 4 LYS HG3 . 25067 1 12 . 1 1 4 4 LYS HD2 H 1 1.732 0.030 . 1 . . . A 4 LYS HD2 . 25067 1 13 . 1 1 4 4 LYS HD3 H 1 1.732 0.030 . 1 . . . A 4 LYS HD3 . 25067 1 14 . 1 1 4 4 LYS HE2 H 1 3.041 0.030 . 1 . . . A 4 LYS HE2 . 25067 1 15 . 1 1 4 4 LYS HE3 H 1 3.041 0.030 . 1 . . . A 4 LYS HE3 . 25067 1 16 . 1 1 4 4 LYS C C 13 176.563 0.600 . 1 . . . A 4 LYS C . 25067 1 17 . 1 1 4 4 LYS CA C 13 56.384 0.600 . 1 . . . A 4 LYS CA . 25067 1 18 . 1 1 4 4 LYS CB C 13 33.156 0.600 . 1 . . . A 4 LYS CB . 25067 1 19 . 1 1 4 4 LYS CG C 13 24.621 0.600 . 1 . . . A 4 LYS CG . 25067 1 20 . 1 1 4 4 LYS CD C 13 29.088 0.600 . 1 . . . A 4 LYS CD . 25067 1 21 . 1 1 4 4 LYS CE C 13 41.997 0.600 . 1 . . . A 4 LYS CE . 25067 1 22 . 1 1 5 5 GLU H H 1 8.601 0.030 . 1 . . . A 5 GLU H . 25067 1 23 . 1 1 5 5 GLU HA H 1 4.377 0.030 . 1 . . . A 5 GLU HA . 25067 1 24 . 1 1 5 5 GLU HB2 H 1 2.088 0.030 . 2 . . . A 5 GLU HB2 . 25067 1 25 . 1 1 5 5 GLU HB3 H 1 2.023 0.030 . 2 . . . A 5 GLU HB3 . 25067 1 26 . 1 1 5 5 GLU HG2 H 1 2.344 0.030 . 1 . . . A 5 GLU HG2 . 25067 1 27 . 1 1 5 5 GLU HG3 H 1 2.344 0.030 . 1 . . . A 5 GLU HG3 . 25067 1 28 . 1 1 5 5 GLU C C 13 176.099 0.600 . 1 . . . A 5 GLU C . 25067 1 29 . 1 1 5 5 GLU CA C 13 56.384 0.600 . 1 . . . A 5 GLU CA . 25067 1 30 . 1 1 5 5 GLU CB C 13 29.803 0.600 . 1 . . . A 5 GLU CB . 25067 1 31 . 1 1 5 5 GLU CG C 13 35.972 0.600 . 1 . . . A 5 GLU CG . 25067 1 32 . 1 1 5 5 GLU N N 15 122.511 0.600 . 1 . . . A 5 GLU N . 25067 1 33 . 1 1 6 6 LEU H H 1 8.409 0.030 . 1 . . . A 6 LEU H . 25067 1 34 . 1 1 6 6 LEU HA H 1 4.399 0.030 . 1 . . . A 6 LEU HA . 25067 1 35 . 1 1 6 6 LEU HB2 H 1 1.567 0.030 . 1 . . . A 6 LEU HB2 . 25067 1 36 . 1 1 6 6 LEU HB3 H 1 1.680 0.030 . 1 . . . A 6 LEU HB3 . 25067 1 37 . 1 1 6 6 LEU HG H 1 1.660 0.030 . 1 . . . A 6 LEU HG . 25067 1 38 . 1 1 6 6 LEU HD11 H 1 0.980 0.030 . 2 . . . A 6 LEU HD11 . 25067 1 39 . 1 1 6 6 LEU HD12 H 1 0.980 0.030 . 2 . . . A 6 LEU HD12 . 25067 1 40 . 1 1 6 6 LEU HD13 H 1 0.980 0.030 . 2 . . . A 6 LEU HD13 . 25067 1 41 . 1 1 6 6 LEU HD21 H 1 0.914 0.030 . 2 . . . A 6 LEU HD21 . 25067 1 42 . 1 1 6 6 LEU HD22 H 1 0.914 0.030 . 2 . . . A 6 LEU HD22 . 25067 1 43 . 1 1 6 6 LEU HD23 H 1 0.914 0.030 . 2 . . . A 6 LEU HD23 . 25067 1 44 . 1 1 6 6 LEU C C 13 175.082 0.600 . 1 . . . A 6 LEU C . 25067 1 45 . 1 1 6 6 LEU CA C 13 54.725 0.600 . 1 . . . A 6 LEU CA . 25067 1 46 . 1 1 6 6 LEU CB C 13 42.213 0.600 . 1 . . . A 6 LEU CB . 25067 1 47 . 1 1 6 6 LEU CG C 13 26.875 0.600 . 1 . . . A 6 LEU CG . 25067 1 48 . 1 1 6 6 LEU CD1 C 13 24.867 0.600 . 1 . . . A 6 LEU CD1 . 25067 1 49 . 1 1 6 6 LEU CD2 C 13 24.005 0.600 . 1 . . . A 6 LEU CD2 . 25067 1 50 . 1 1 6 6 LEU N N 15 124.063 0.600 . 1 . . . A 6 LEU N . 25067 1 51 . 1 1 7 7 ARG H H 1 8.016 0.030 . 1 . . . A 7 ARG H . 25067 1 52 . 1 1 7 7 ARG HA H 1 4.445 0.030 . 1 . . . A 7 ARG HA . 25067 1 53 . 1 1 7 7 ARG HB2 H 1 1.278 0.030 . 2 . . . A 7 ARG HB2 . 25067 1 54 . 1 1 7 7 ARG HB3 H 1 1.104 0.030 . 2 . . . A 7 ARG HB3 . 25067 1 55 . 1 1 7 7 ARG HG2 H 1 1.060 0.030 . 2 . . . A 7 ARG HG2 . 25067 1 56 . 1 1 7 7 ARG HG3 H 1 0.930 0.030 . 2 . . . A 7 ARG HG3 . 25067 1 57 . 1 1 7 7 ARG HD2 H 1 2.900 0.030 . 1 . . . A 7 ARG HD2 . 25067 1 58 . 1 1 7 7 ARG HD3 H 1 2.900 0.030 . 1 . . . A 7 ARG HD3 . 25067 1 59 . 1 1 7 7 ARG C C 13 174.768 0.600 . 1 . . . A 7 ARG C . 25067 1 60 . 1 1 7 7 ARG CA C 13 54.690 0.600 . 1 . . . A 7 ARG CA . 25067 1 61 . 1 1 7 7 ARG CB C 13 32.090 0.600 . 1 . . . A 7 ARG CB . 25067 1 62 . 1 1 7 7 ARG CG C 13 26.022 0.600 . 1 . . . A 7 ARG CG . 25067 1 63 . 1 1 7 7 ARG CD C 13 42.732 0.600 . 1 . . . A 7 ARG CD . 25067 1 64 . 1 1 7 7 ARG N N 15 122.244 0.600 . 1 . . . A 7 ARG N . 25067 1 65 . 1 1 8 8 VAL H H 1 8.659 0.030 . 1 . . . A 8 VAL H . 25067 1 66 . 1 1 8 8 VAL HA H 1 4.292 0.030 . 1 . . . A 8 VAL HA . 25067 1 67 . 1 1 8 8 VAL HB H 1 1.784 0.030 . 1 . . . A 8 VAL HB . 25067 1 68 . 1 1 8 8 VAL HG11 H 1 0.605 0.030 . 2 . . . A 8 VAL HG11 . 25067 1 69 . 1 1 8 8 VAL HG12 H 1 0.605 0.030 . 2 . . . A 8 VAL HG12 . 25067 1 70 . 1 1 8 8 VAL HG13 H 1 0.605 0.030 . 2 . . . A 8 VAL HG13 . 25067 1 71 . 1 1 8 8 VAL HG21 H 1 0.917 0.030 . 2 . . . A 8 VAL HG21 . 25067 1 72 . 1 1 8 8 VAL HG22 H 1 0.917 0.030 . 2 . . . A 8 VAL HG22 . 25067 1 73 . 1 1 8 8 VAL HG23 H 1 0.917 0.030 . 2 . . . A 8 VAL HG23 . 25067 1 74 . 1 1 8 8 VAL C C 13 173.562 0.600 . 1 . . . A 8 VAL C . 25067 1 75 . 1 1 8 8 VAL CA C 13 60.842 0.600 . 1 . . . A 8 VAL CA . 25067 1 76 . 1 1 8 8 VAL CB C 13 34.184 0.600 . 1 . . . A 8 VAL CB . 25067 1 77 . 1 1 8 8 VAL CG1 C 13 20.519 0.600 . 1 . . . A 8 VAL CG1 . 25067 1 78 . 1 1 8 8 VAL CG2 C 13 21.789 0.600 . 1 . . . A 8 VAL CG2 . 25067 1 79 . 1 1 8 8 VAL N N 15 123.767 0.600 . 1 . . . A 8 VAL N . 25067 1 80 . 1 1 9 9 GLU H H 1 8.513 0.030 . 1 . . . A 9 GLU H . 25067 1 81 . 1 1 9 9 GLU HA H 1 4.890 0.030 . 1 . . . A 9 GLU HA . 25067 1 82 . 1 1 9 9 GLU HB2 H 1 1.950 0.030 . 1 . . . A 9 GLU HB2 . 25067 1 83 . 1 1 9 9 GLU HB3 H 1 1.950 0.030 . 1 . . . A 9 GLU HB3 . 25067 1 84 . 1 1 9 9 GLU HG2 H 1 2.164 0.030 . 2 . . . A 9 GLU HG2 . 25067 1 85 . 1 1 9 9 GLU HG3 H 1 2.021 0.030 . 2 . . . A 9 GLU HG3 . 25067 1 86 . 1 1 9 9 GLU C C 13 175.446 0.600 . 1 . . . A 9 GLU C . 25067 1 87 . 1 1 9 9 GLU CA C 13 55.483 0.600 . 1 . . . A 9 GLU CA . 25067 1 88 . 1 1 9 9 GLU CB C 13 30.750 0.600 . 1 . . . A 9 GLU CB . 25067 1 89 . 1 1 9 9 GLU CG C 13 37.187 0.600 . 1 . . . A 9 GLU CG . 25067 1 90 . 1 1 9 9 GLU N N 15 127.779 0.600 . 1 . . . A 9 GLU N . 25067 1 91 . 1 1 10 10 ILE H H 1 9.199 0.030 . 1 . . . A 10 ILE H . 25067 1 92 . 1 1 10 10 ILE HA H 1 4.900 0.030 . 1 . . . A 10 ILE HA . 25067 1 93 . 1 1 10 10 ILE HB H 1 2.000 0.030 . 1 . . . A 10 ILE HB . 25067 1 94 . 1 1 10 10 ILE HG12 H 1 1.329 0.030 . 2 . . . A 10 ILE HG12 . 25067 1 95 . 1 1 10 10 ILE HG13 H 1 1.315 0.030 . 2 . . . A 10 ILE HG13 . 25067 1 96 . 1 1 10 10 ILE HG21 H 1 1.148 0.030 . 1 . . . A 10 ILE HG21 . 25067 1 97 . 1 1 10 10 ILE HG22 H 1 1.148 0.030 . 1 . . . A 10 ILE HG22 . 25067 1 98 . 1 1 10 10 ILE HG23 H 1 1.148 0.030 . 1 . . . A 10 ILE HG23 . 25067 1 99 . 1 1 10 10 ILE HD11 H 1 0.708 0.030 . 1 . . . A 10 ILE HD11 . 25067 1 100 . 1 1 10 10 ILE HD12 H 1 0.708 0.030 . 1 . . . A 10 ILE HD12 . 25067 1 101 . 1 1 10 10 ILE HD13 H 1 0.708 0.030 . 1 . . . A 10 ILE HD13 . 25067 1 102 . 1 1 10 10 ILE C C 13 174.981 0.600 . 1 . . . A 10 ILE C . 25067 1 103 . 1 1 10 10 ILE CA C 13 58.424 0.600 . 1 . . . A 10 ILE CA . 25067 1 104 . 1 1 10 10 ILE CB C 13 38.645 0.600 . 1 . . . A 10 ILE CB . 25067 1 105 . 1 1 10 10 ILE CG1 C 13 26.555 0.600 . 1 . . . A 10 ILE CG1 . 25067 1 106 . 1 1 10 10 ILE CG2 C 13 17.569 0.600 . 1 . . . A 10 ILE CG2 . 25067 1 107 . 1 1 10 10 ILE CD1 C 13 11.124 0.600 . 1 . . . A 10 ILE CD1 . 25067 1 108 . 1 1 10 10 ILE N N 15 127.770 0.600 . 1 . . . A 10 ILE N . 25067 1 109 . 1 1 11 11 LYS H H 1 9.257 0.030 . 1 . . . A 11 LYS H . 25067 1 110 . 1 1 11 11 LYS HA H 1 5.438 0.030 . 1 . . . A 11 LYS HA . 25067 1 111 . 1 1 11 11 LYS HB2 H 1 1.818 0.030 . 2 . . . A 11 LYS HB2 . 25067 1 112 . 1 1 11 11 LYS HB3 H 1 1.682 0.030 . 2 . . . A 11 LYS HB3 . 25067 1 113 . 1 1 11 11 LYS HG2 H 1 1.465 0.030 . 1 . . . A 11 LYS HG2 . 25067 1 114 . 1 1 11 11 LYS HG3 H 1 1.465 0.030 . 1 . . . A 11 LYS HG3 . 25067 1 115 . 1 1 11 11 LYS HD2 H 1 1.737 0.030 . 1 . . . A 11 LYS HD2 . 25067 1 116 . 1 1 11 11 LYS HD3 H 1 1.737 0.030 . 1 . . . A 11 LYS HD3 . 25067 1 117 . 1 1 11 11 LYS HE2 H 1 3.043 0.030 . 1 . . . A 11 LYS HE2 . 25067 1 118 . 1 1 11 11 LYS HE3 H 1 3.043 0.030 . 1 . . . A 11 LYS HE3 . 25067 1 119 . 1 1 11 11 LYS C C 13 175.835 0.600 . 1 . . . A 11 LYS C . 25067 1 120 . 1 1 11 11 LYS CA C 13 54.817 0.600 . 1 . . . A 11 LYS CA . 25067 1 121 . 1 1 11 11 LYS CB C 13 35.060 0.600 . 1 . . . A 11 LYS CB . 25067 1 122 . 1 1 11 11 LYS CG C 13 25.404 0.600 . 1 . . . A 11 LYS CG . 25067 1 123 . 1 1 11 11 LYS CD C 13 28.993 0.600 . 1 . . . A 11 LYS CD . 25067 1 124 . 1 1 11 11 LYS CE C 13 42.000 0.600 . 1 . . . A 11 LYS CE . 25067 1 125 . 1 1 11 11 LYS N N 15 125.866 0.600 . 1 . . . A 11 LYS N . 25067 1 126 . 1 1 12 12 ILE H H 1 9.075 0.030 . 1 . . . A 12 ILE H . 25067 1 127 . 1 1 12 12 ILE HA H 1 5.299 0.030 . 1 . . . A 12 ILE HA . 25067 1 128 . 1 1 12 12 ILE HB H 1 2.083 0.030 . 1 . . . A 12 ILE HB . 25067 1 129 . 1 1 12 12 ILE HG12 H 1 1.815 0.030 . 2 . . . A 12 ILE HG12 . 25067 1 130 . 1 1 12 12 ILE HG13 H 1 1.489 0.030 . 2 . . . A 12 ILE HG13 . 25067 1 131 . 1 1 12 12 ILE HG21 H 1 0.964 0.030 . 1 . . . A 12 ILE HG21 . 25067 1 132 . 1 1 12 12 ILE HG22 H 1 0.964 0.030 . 1 . . . A 12 ILE HG22 . 25067 1 133 . 1 1 12 12 ILE HG23 H 1 0.964 0.030 . 1 . . . A 12 ILE HG23 . 25067 1 134 . 1 1 12 12 ILE HD11 H 1 0.914 0.030 . 1 . . . A 12 ILE HD11 . 25067 1 135 . 1 1 12 12 ILE HD12 H 1 0.914 0.030 . 1 . . . A 12 ILE HD12 . 25067 1 136 . 1 1 12 12 ILE HD13 H 1 0.914 0.030 . 1 . . . A 12 ILE HD13 . 25067 1 137 . 1 1 12 12 ILE C C 13 175.132 0.600 . 1 . . . A 12 ILE C . 25067 1 138 . 1 1 12 12 ILE CA C 13 59.134 0.600 . 1 . . . A 12 ILE CA . 25067 1 139 . 1 1 12 12 ILE CB C 13 39.666 0.600 . 1 . . . A 12 ILE CB . 25067 1 140 . 1 1 12 12 ILE CG1 C 13 27.970 0.600 . 1 . . . A 12 ILE CG1 . 25067 1 141 . 1 1 12 12 ILE CG2 C 13 16.942 0.600 . 1 . . . A 12 ILE CG2 . 25067 1 142 . 1 1 12 12 ILE CD1 C 13 13.509 0.600 . 1 . . . A 12 ILE CD1 . 25067 1 143 . 1 1 12 12 ILE N N 15 121.799 0.600 . 1 . . . A 12 ILE N . 25067 1 144 . 1 1 13 13 ASP H H 1 9.415 0.030 . 1 . . . A 13 ASP H . 25067 1 145 . 1 1 13 13 ASP HA H 1 5.209 0.030 . 1 . . . A 13 ASP HA . 25067 1 146 . 1 1 13 13 ASP HB2 H 1 2.877 0.030 . 2 . . . A 13 ASP HB2 . 25067 1 147 . 1 1 13 13 ASP HB3 H 1 2.677 0.030 . 2 . . . A 13 ASP HB3 . 25067 1 148 . 1 1 13 13 ASP C C 13 175.898 0.600 . 1 . . . A 13 ASP C . 25067 1 149 . 1 1 13 13 ASP CA C 13 52.731 0.600 . 1 . . . A 13 ASP CA . 25067 1 150 . 1 1 13 13 ASP CB C 13 43.750 0.600 . 1 . . . A 13 ASP CB . 25067 1 151 . 1 1 13 13 ASP N N 15 129.263 0.600 . 1 . . . A 13 ASP N . 25067 1 152 . 1 1 14 14 CYS H H 1 9.274 0.030 . 1 . . . A 14 CYS H . 25067 1 153 . 1 1 14 14 CYS HA H 1 4.932 0.030 . 1 . . . A 14 CYS HA . 25067 1 154 . 1 1 14 14 CYS HB2 H 1 3.179 0.030 . 2 . . . A 14 CYS HB2 . 25067 1 155 . 1 1 14 14 CYS HB3 H 1 2.973 0.030 . 2 . . . A 14 CYS HB3 . 25067 1 156 . 1 1 14 14 CYS C C 13 174.228 0.600 . 1 . . . A 14 CYS C . 25067 1 157 . 1 1 14 14 CYS CA C 13 58.269 0.600 . 1 . . . A 14 CYS CA . 25067 1 158 . 1 1 14 14 CYS CB C 13 28.447 0.600 . 1 . . . A 14 CYS CB . 25067 1 159 . 1 1 14 14 CYS N N 15 122.767 0.600 . 1 . . . A 14 CYS N . 25067 1 160 . 1 1 15 15 GLY H H 1 8.919 0.030 . 1 . . . A 15 GLY H . 25067 1 161 . 1 1 15 15 GLY HA2 H 1 4.272 0.030 . 2 . . . A 15 GLY HA2 . 25067 1 162 . 1 1 15 15 GLY HA3 H 1 3.943 0.030 . 2 . . . A 15 GLY HA3 . 25067 1 163 . 1 1 15 15 GLY C C 13 173.986 0.600 . 1 . . . A 15 GLY C . 25067 1 164 . 1 1 15 15 GLY CA C 13 45.892 0.600 . 1 . . . A 15 GLY CA . 25067 1 165 . 1 1 15 15 GLY N N 15 110.606 0.600 . 1 . . . A 15 GLY N . 25067 1 166 . 1 1 16 16 ASN HA H 1 4.796 0.030 . 1 . . . A 16 ASN HA . 25067 1 167 . 1 1 16 16 ASN HB2 H 1 2.884 0.030 . 1 . . . A 16 ASN HB2 . 25067 1 168 . 1 1 16 16 ASN HB3 H 1 2.884 0.030 . 1 . . . A 16 ASN HB3 . 25067 1 169 . 1 1 16 16 ASN HD21 H 1 7.631 0.030 . 2 . . . A 16 ASN HD21 . 25067 1 170 . 1 1 16 16 ASN HD22 H 1 6.898 0.030 . 2 . . . A 16 ASN HD22 . 25067 1 171 . 1 1 16 16 ASN C C 13 175.157 0.600 . 1 . . . A 16 ASN C . 25067 1 172 . 1 1 16 16 ASN CA C 13 53.181 0.600 . 1 . . . A 16 ASN CA . 25067 1 173 . 1 1 16 16 ASN CB C 13 38.955 0.600 . 1 . . . A 16 ASN CB . 25067 1 174 . 1 1 16 16 ASN ND2 N 15 112.687 0.600 . 1 . . . A 16 ASN ND2 . 25067 1 175 . 1 1 17 17 ASP H H 1 8.409 0.030 . 1 . . . A 17 ASP H . 25067 1 176 . 1 1 17 17 ASP HA H 1 4.589 0.030 . 1 . . . A 17 ASP HA . 25067 1 177 . 1 1 17 17 ASP HB2 H 1 2.783 0.030 . 1 . . . A 17 ASP HB2 . 25067 1 178 . 1 1 17 17 ASP HB3 H 1 2.783 0.030 . 1 . . . A 17 ASP HB3 . 25067 1 179 . 1 1 17 17 ASP C C 13 175.493 0.600 . 1 . . . A 17 ASP C . 25067 1 180 . 1 1 17 17 ASP CA C 13 54.533 0.600 . 1 . . . A 17 ASP CA . 25067 1 181 . 1 1 17 17 ASP CB C 13 40.992 0.600 . 1 . . . A 17 ASP CB . 25067 1 182 . 1 1 17 17 ASP N N 15 118.767 0.600 . 1 . . . A 17 ASP N . 25067 1 183 . 1 1 18 18 ASP H H 1 8.291 0.030 . 1 . . . A 18 ASP H . 25067 1 184 . 1 1 18 18 ASP HA H 1 4.606 0.030 . 1 . . . A 18 ASP HA . 25067 1 185 . 1 1 18 18 ASP HB2 H 1 2.764 0.030 . 1 . . . A 18 ASP HB2 . 25067 1 186 . 1 1 18 18 ASP HB3 H 1 2.764 0.030 . 1 . . . A 18 ASP HB3 . 25067 1 187 . 1 1 18 18 ASP C C 13 175.870 0.600 . 1 . . . A 18 ASP C . 25067 1 188 . 1 1 18 18 ASP CA C 13 54.242 0.600 . 1 . . . A 18 ASP CA . 25067 1 189 . 1 1 18 18 ASP CB C 13 41.116 0.600 . 1 . . . A 18 ASP CB . 25067 1 190 . 1 1 18 18 ASP N N 15 119.912 0.600 . 1 . . . A 18 ASP N . 25067 1 191 . 1 1 19 19 LYS H H 1 8.140 0.030 . 1 . . . A 19 LYS H . 25067 1 192 . 1 1 19 19 LYS HA H 1 4.439 0.030 . 1 . . . A 19 LYS HA . 25067 1 193 . 1 1 19 19 LYS HB2 H 1 1.901 0.030 . 2 . . . A 19 LYS HB2 . 25067 1 194 . 1 1 19 19 LYS HB3 H 1 1.805 0.030 . 2 . . . A 19 LYS HB3 . 25067 1 195 . 1 1 19 19 LYS HG2 H 1 1.475 0.030 . 1 . . . A 19 LYS HG2 . 25067 1 196 . 1 1 19 19 LYS HG3 H 1 1.475 0.030 . 1 . . . A 19 LYS HG3 . 25067 1 197 . 1 1 19 19 LYS HD2 H 1 1.730 0.030 . 1 . . . A 19 LYS HD2 . 25067 1 198 . 1 1 19 19 LYS HD3 H 1 1.730 0.030 . 1 . . . A 19 LYS HD3 . 25067 1 199 . 1 1 19 19 LYS HE2 H 1 3.039 0.030 . 1 . . . A 19 LYS HE2 . 25067 1 200 . 1 1 19 19 LYS HE3 H 1 3.039 0.030 . 1 . . . A 19 LYS HE3 . 25067 1 201 . 1 1 19 19 LYS C C 13 176.121 0.600 . 1 . . . A 19 LYS C . 25067 1 202 . 1 1 19 19 LYS CA C 13 55.646 0.600 . 1 . . . A 19 LYS CA . 25067 1 203 . 1 1 19 19 LYS CB C 13 33.015 0.600 . 1 . . . A 19 LYS CB . 25067 1 204 . 1 1 19 19 LYS CG C 13 24.416 0.600 . 1 . . . A 19 LYS CG . 25067 1 205 . 1 1 19 19 LYS CD C 13 28.732 0.600 . 1 . . . A 19 LYS CD . 25067 1 206 . 1 1 19 19 LYS CE C 13 42.111 0.600 . 1 . . . A 19 LYS CE . 25067 1 207 . 1 1 19 19 LYS N N 15 120.828 0.600 . 1 . . . A 19 LYS N . 25067 1 208 . 1 1 20 20 GLU H H 1 8.645 0.030 . 1 . . . A 20 GLU H . 25067 1 209 . 1 1 20 20 GLU HA H 1 4.540 0.030 . 1 . . . A 20 GLU HA . 25067 1 210 . 1 1 20 20 GLU HB2 H 1 2.013 0.030 . 2 . . . A 20 GLU HB2 . 25067 1 211 . 1 1 20 20 GLU HB3 H 1 1.899 0.030 . 2 . . . A 20 GLU HB3 . 25067 1 212 . 1 1 20 20 GLU HG2 H 1 2.181 0.030 . 1 . . . A 20 GLU HG2 . 25067 1 213 . 1 1 20 20 GLU HG3 H 1 2.181 0.030 . 1 . . . A 20 GLU HG3 . 25067 1 214 . 1 1 20 20 GLU C C 13 176.413 0.600 . 1 . . . A 20 GLU C . 25067 1 215 . 1 1 20 20 GLU CA C 13 56.518 0.600 . 1 . . . A 20 GLU CA . 25067 1 216 . 1 1 20 20 GLU CB C 13 30.543 0.600 . 1 . . . A 20 GLU CB . 25067 1 217 . 1 1 20 20 GLU CG C 13 36.232 0.600 . 1 . . . A 20 GLU CG . 25067 1 218 . 1 1 20 20 GLU N N 15 123.292 0.600 . 1 . . . A 20 GLU N . 25067 1 219 . 1 1 21 21 THR H H 1 8.589 0.030 . 1 . . . A 21 THR H . 25067 1 220 . 1 1 21 21 THR HA H 1 4.517 0.030 . 1 . . . A 21 THR HA . 25067 1 221 . 1 1 21 21 THR HB H 1 4.093 0.030 . 1 . . . A 21 THR HB . 25067 1 222 . 1 1 21 21 THR HG21 H 1 1.120 0.030 . 1 . . . A 21 THR HG21 . 25067 1 223 . 1 1 21 21 THR HG22 H 1 1.120 0.030 . 1 . . . A 21 THR HG22 . 25067 1 224 . 1 1 21 21 THR HG23 H 1 1.120 0.030 . 1 . . . A 21 THR HG23 . 25067 1 225 . 1 1 21 21 THR C C 13 173.148 0.600 . 1 . . . A 21 THR C . 25067 1 226 . 1 1 21 21 THR CA C 13 61.989 0.600 . 1 . . . A 21 THR CA . 25067 1 227 . 1 1 21 21 THR CB C 13 70.485 0.600 . 1 . . . A 21 THR CB . 25067 1 228 . 1 1 21 21 THR CG2 C 13 21.816 0.600 . 1 . . . A 21 THR CG2 . 25067 1 229 . 1 1 21 21 THR N N 15 119.747 0.600 . 1 . . . A 21 THR N . 25067 1 230 . 1 1 22 22 THR H H 1 8.191 0.030 . 1 . . . A 22 THR H . 25067 1 231 . 1 1 22 22 THR HA H 1 5.342 0.030 . 1 . . . A 22 THR HA . 25067 1 232 . 1 1 22 22 THR HB H 1 3.935 0.030 . 1 . . . A 22 THR HB . 25067 1 233 . 1 1 22 22 THR HG21 H 1 1.084 0.030 . 1 . . . A 22 THR HG21 . 25067 1 234 . 1 1 22 22 THR HG22 H 1 1.084 0.030 . 1 . . . A 22 THR HG22 . 25067 1 235 . 1 1 22 22 THR HG23 H 1 1.084 0.030 . 1 . . . A 22 THR HG23 . 25067 1 236 . 1 1 22 22 THR C C 13 173.148 0.600 . 1 . . . A 22 THR C . 25067 1 237 . 1 1 22 22 THR CA C 13 60.977 0.600 . 1 . . . A 22 THR CA . 25067 1 238 . 1 1 22 22 THR CB C 13 70.490 0.600 . 1 . . . A 22 THR CB . 25067 1 239 . 1 1 22 22 THR CG2 C 13 21.836 0.600 . 1 . . . A 22 THR CG2 . 25067 1 240 . 1 1 22 22 THR N N 15 119.539 0.600 . 1 . . . A 22 THR N . 25067 1 241 . 1 1 23 23 TYR H H 1 9.268 0.030 . 1 . . . A 23 TYR H . 25067 1 242 . 1 1 23 23 TYR HA H 1 4.654 0.030 . 1 . . . A 23 TYR HA . 25067 1 243 . 1 1 23 23 TYR HB2 H 1 2.889 0.030 . 2 . . . A 23 TYR HB2 . 25067 1 244 . 1 1 23 23 TYR HB3 H 1 2.460 0.030 . 2 . . . A 23 TYR HB3 . 25067 1 245 . 1 1 23 23 TYR HD1 H 1 7.089 0.030 . 1 . . . A 23 TYR HD1 . 25067 1 246 . 1 1 23 23 TYR HD2 H 1 7.089 0.030 . 1 . . . A 23 TYR HD2 . 25067 1 247 . 1 1 23 23 TYR HE1 H 1 6.775 0.030 . 1 . . . A 23 TYR HE1 . 25067 1 248 . 1 1 23 23 TYR HE2 H 1 6.775 0.030 . 1 . . . A 23 TYR HE2 . 25067 1 249 . 1 1 23 23 TYR C C 13 173.400 0.600 . 1 . . . A 23 TYR C . 25067 1 250 . 1 1 23 23 TYR CA C 13 56.982 0.600 . 1 . . . A 23 TYR CA . 25067 1 251 . 1 1 23 23 TYR CB C 13 42.318 0.600 . 1 . . . A 23 TYR CB . 25067 1 252 . 1 1 23 23 TYR CD1 C 13 133.300 0.600 . 1 . . . A 23 TYR CD1 . 25067 1 253 . 1 1 23 23 TYR CD2 C 13 133.300 0.600 . 1 . . . A 23 TYR CD2 . 25067 1 254 . 1 1 23 23 TYR CE1 C 13 118.479 0.600 . 1 . . . A 23 TYR CE1 . 25067 1 255 . 1 1 23 23 TYR CE2 C 13 118.479 0.600 . 1 . . . A 23 TYR CE2 . 25067 1 256 . 1 1 23 23 TYR N N 15 123.279 0.600 . 1 . . . A 23 TYR N . 25067 1 257 . 1 1 24 24 ASP H H 1 8.484 0.030 . 1 . . . A 24 ASP H . 25067 1 258 . 1 1 24 24 ASP HA H 1 4.844 0.030 . 1 . . . A 24 ASP HA . 25067 1 259 . 1 1 24 24 ASP HB2 H 1 2.614 0.030 . 2 . . . A 24 ASP HB2 . 25067 1 260 . 1 1 24 24 ASP HB3 H 1 2.067 0.030 . 2 . . . A 24 ASP HB3 . 25067 1 261 . 1 1 24 24 ASP C C 13 173.400 0.600 . 1 . . . A 24 ASP C . 25067 1 262 . 1 1 24 24 ASP CA C 13 53.469 0.600 . 1 . . . A 24 ASP CA . 25067 1 263 . 1 1 24 24 ASP CB C 13 41.941 0.600 . 1 . . . A 24 ASP CB . 25067 1 264 . 1 1 24 24 ASP N N 15 121.837 0.600 . 1 . . . A 24 ASP N . 25067 1 265 . 1 1 25 25 LEU H H 1 8.619 0.030 . 1 . . . A 25 LEU H . 25067 1 266 . 1 1 25 25 LEU HA H 1 4.100 0.030 . 1 . . . A 25 LEU HA . 25067 1 267 . 1 1 25 25 LEU HB2 H 1 0.919 0.030 . 2 . . . A 25 LEU HB2 . 25067 1 268 . 1 1 25 25 LEU HB3 H 1 0.712 0.030 . 2 . . . A 25 LEU HB3 . 25067 1 269 . 1 1 25 25 LEU HG H 1 0.564 0.030 . 1 . . . A 25 LEU HG . 25067 1 270 . 1 1 25 25 LEU HD11 H 1 -0.122 0.030 . 2 . . . A 25 LEU HD11 . 25067 1 271 . 1 1 25 25 LEU HD12 H 1 -0.122 0.030 . 2 . . . A 25 LEU HD12 . 25067 1 272 . 1 1 25 25 LEU HD13 H 1 -0.122 0.030 . 2 . . . A 25 LEU HD13 . 25067 1 273 . 1 1 25 25 LEU HD21 H 1 -0.115 0.030 . 2 . . . A 25 LEU HD21 . 25067 1 274 . 1 1 25 25 LEU HD22 H 1 -0.115 0.030 . 2 . . . A 25 LEU HD22 . 25067 1 275 . 1 1 25 25 LEU HD23 H 1 -0.115 0.030 . 2 . . . A 25 LEU HD23 . 25067 1 276 . 1 1 25 25 LEU C C 13 174.677 0.600 . 1 . . . A 25 LEU C . 25067 1 277 . 1 1 25 25 LEU CA C 13 52.733 0.600 . 1 . . . A 25 LEU CA . 25067 1 278 . 1 1 25 25 LEU CB C 13 42.626 0.600 . 1 . . . A 25 LEU CB . 25067 1 279 . 1 1 25 25 LEU CG C 13 26.545 0.600 . 1 . . . A 25 LEU CG . 25067 1 280 . 1 1 25 25 LEU CD1 C 13 22.048 0.600 . 1 . . . A 25 LEU CD1 . 25067 1 281 . 1 1 25 25 LEU CD2 C 13 23.454 0.600 . 1 . . . A 25 LEU CD2 . 25067 1 282 . 1 1 25 25 LEU N N 15 126.268 0.600 . 1 . . . A 25 LEU N . 25067 1 283 . 1 1 26 26 TYR H H 1 8.465 0.030 . 1 . . . A 26 TYR H . 25067 1 284 . 1 1 26 26 TYR HA H 1 4.635 0.030 . 1 . . . A 26 TYR HA . 25067 1 285 . 1 1 26 26 TYR HB2 H 1 2.782 0.030 . 1 . . . A 26 TYR HB2 . 25067 1 286 . 1 1 26 26 TYR HB3 H 1 2.868 0.030 . 1 . . . A 26 TYR HB3 . 25067 1 287 . 1 1 26 26 TYR HD1 H 1 7.012 0.030 . 1 . . . A 26 TYR HD1 . 25067 1 288 . 1 1 26 26 TYR HD2 H 1 7.012 0.030 . 1 . . . A 26 TYR HD2 . 25067 1 289 . 1 1 26 26 TYR HE1 H 1 6.724 0.030 . 1 . . . A 26 TYR HE1 . 25067 1 290 . 1 1 26 26 TYR HE2 H 1 6.724 0.030 . 1 . . . A 26 TYR HE2 . 25067 1 291 . 1 1 26 26 TYR C C 13 176.833 0.600 . 1 . . . A 26 TYR C . 25067 1 292 . 1 1 26 26 TYR CA C 13 56.282 0.600 . 1 . . . A 26 TYR CA . 25067 1 293 . 1 1 26 26 TYR CB C 13 38.143 0.600 . 1 . . . A 26 TYR CB . 25067 1 294 . 1 1 26 26 TYR CD1 C 13 133.437 0.600 . 1 . . . A 26 TYR CD1 . 25067 1 295 . 1 1 26 26 TYR CD2 C 13 133.437 0.600 . 1 . . . A 26 TYR CD2 . 25067 1 296 . 1 1 26 26 TYR CE1 C 13 117.705 0.600 . 1 . . . A 26 TYR CE1 . 25067 1 297 . 1 1 26 26 TYR CE2 C 13 117.705 0.600 . 1 . . . A 26 TYR CE2 . 25067 1 298 . 1 1 26 26 TYR N N 15 123.695 0.600 . 1 . . . A 26 TYR N . 25067 1 299 . 1 1 27 27 PHE H H 1 7.991 0.030 . 1 . . . A 27 PHE H . 25067 1 300 . 1 1 27 27 PHE HA H 1 4.786 0.030 . 1 . . . A 27 PHE HA . 25067 1 301 . 1 1 27 27 PHE HB2 H 1 2.861 0.030 . 2 . . . A 27 PHE HB2 . 25067 1 302 . 1 1 27 27 PHE HB3 H 1 2.782 0.030 . 2 . . . A 27 PHE HB3 . 25067 1 303 . 1 1 27 27 PHE HD1 H 1 6.999 0.030 . 1 . . . A 27 PHE HD1 . 25067 1 304 . 1 1 27 27 PHE HD2 H 1 6.999 0.030 . 1 . . . A 27 PHE HD2 . 25067 1 305 . 1 1 27 27 PHE C C 13 176.205 0.600 . 1 . . . A 27 PHE C . 25067 1 306 . 1 1 27 27 PHE CA C 13 60.136 0.600 . 1 . . . A 27 PHE CA . 25067 1 307 . 1 1 27 27 PHE CB C 13 38.455 0.600 . 1 . . . A 27 PHE CB . 25067 1 308 . 1 1 27 27 PHE CD1 C 13 133.533 0.600 . 1 . . . A 27 PHE CD1 . 25067 1 309 . 1 1 27 27 PHE CD2 C 13 133.533 0.600 . 1 . . . A 27 PHE CD2 . 25067 1 310 . 1 1 27 27 PHE N N 15 119.951 0.600 . 1 . . . A 27 PHE N . 25067 1 311 . 1 1 28 28 SER H H 1 8.508 0.030 . 1 . . . A 28 SER H . 25067 1 312 . 1 1 28 28 SER HA H 1 4.455 0.030 . 1 . . . A 28 SER HA . 25067 1 313 . 1 1 28 28 SER HB2 H 1 4.029 0.030 . 2 . . . A 28 SER HB2 . 25067 1 314 . 1 1 28 28 SER HB3 H 1 3.948 0.030 . 2 . . . A 28 SER HB3 . 25067 1 315 . 1 1 28 28 SER C C 13 174.517 0.600 . 1 . . . A 28 SER C . 25067 1 316 . 1 1 28 28 SER CA C 13 59.489 0.600 . 1 . . . A 28 SER CA . 25067 1 317 . 1 1 28 28 SER CB C 13 62.828 0.600 . 1 . . . A 28 SER CB . 25067 1 318 . 1 1 28 28 SER N N 15 114.987 0.600 . 1 . . . A 28 SER N . 25067 1 319 . 1 1 29 29 LYS H H 1 7.723 0.030 . 1 . . . A 29 LYS H . 25067 1 320 . 1 1 29 29 LYS HA H 1 4.653 0.030 . 1 . . . A 29 LYS HA . 25067 1 321 . 1 1 29 29 LYS HB2 H 1 1.922 0.030 . 1 . . . A 29 LYS HB2 . 25067 1 322 . 1 1 29 29 LYS HB3 H 1 1.922 0.030 . 1 . . . A 29 LYS HB3 . 25067 1 323 . 1 1 29 29 LYS C C 13 175.954 0.600 . 1 . . . A 29 LYS C . 25067 1 324 . 1 1 29 29 LYS CA C 13 54.695 0.600 . 1 . . . A 29 LYS CA . 25067 1 325 . 1 1 29 29 LYS CB C 13 31.548 0.600 . 1 . . . A 29 LYS CB . 25067 1 326 . 1 1 29 29 LYS N N 15 123.721 0.600 . 1 . . . A 29 LYS N . 25067 1 327 . 1 1 30 30 ALA HA H 1 4.072 0.030 . 1 . . . A 30 ALA HA . 25067 1 328 . 1 1 30 30 ALA HB1 H 1 1.579 0.030 . 1 . . . A 30 ALA HB1 . 25067 1 329 . 1 1 30 30 ALA HB2 H 1 1.579 0.030 . 1 . . . A 30 ALA HB2 . 25067 1 330 . 1 1 30 30 ALA HB3 H 1 1.579 0.030 . 1 . . . A 30 ALA HB3 . 25067 1 331 . 1 1 30 30 ALA CA C 13 55.547 0.600 . 1 . . . A 30 ALA CA . 25067 1 332 . 1 1 30 30 ALA CB C 13 18.771 0.600 . 1 . . . A 30 ALA CB . 25067 1 333 . 1 1 31 31 GLU H H 1 9.034 0.030 . 1 . . . A 31 GLU H . 25067 1 334 . 1 1 31 31 GLU HA H 1 4.178 0.030 . 1 . . . A 31 GLU HA . 25067 1 335 . 1 1 31 31 GLU HB2 H 1 2.150 0.030 . 1 . . . A 31 GLU HB2 . 25067 1 336 . 1 1 31 31 GLU HB3 H 1 2.150 0.030 . 1 . . . A 31 GLU HB3 . 25067 1 337 . 1 1 31 31 GLU HG2 H 1 2.421 0.030 . 1 . . . A 31 GLU HG2 . 25067 1 338 . 1 1 31 31 GLU HG3 H 1 2.421 0.030 . 1 . . . A 31 GLU HG3 . 25067 1 339 . 1 1 31 31 GLU C C 13 179.251 0.600 . 1 . . . A 31 GLU C . 25067 1 340 . 1 1 31 31 GLU CA C 13 59.596 0.600 . 1 . . . A 31 GLU CA . 25067 1 341 . 1 1 31 31 GLU CB C 13 28.599 0.600 . 1 . . . A 31 GLU CB . 25067 1 342 . 1 1 31 31 GLU CG C 13 36.166 0.600 . 1 . . . A 31 GLU CG . 25067 1 343 . 1 1 31 31 GLU N N 15 117.703 0.600 . 1 . . . A 31 GLU N . 25067 1 344 . 1 1 32 32 GLU H H 1 8.046 0.030 . 1 . . . A 32 GLU H . 25067 1 345 . 1 1 32 32 GLU HA H 1 4.185 0.030 . 1 . . . A 32 GLU HA . 25067 1 346 . 1 1 32 32 GLU HB2 H 1 2.203 0.030 . 2 . . . A 32 GLU HB2 . 25067 1 347 . 1 1 32 32 GLU HB3 H 1 2.170 0.030 . 2 . . . A 32 GLU HB3 . 25067 1 348 . 1 1 32 32 GLU HG2 H 1 2.418 0.030 . 2 . . . A 32 GLU HG2 . 25067 1 349 . 1 1 32 32 GLU HG3 H 1 2.238 0.030 . 2 . . . A 32 GLU HG3 . 25067 1 350 . 1 1 32 32 GLU C C 13 179.251 0.600 . 1 . . . A 32 GLU C . 25067 1 351 . 1 1 32 32 GLU CA C 13 59.217 0.600 . 1 . . . A 32 GLU CA . 25067 1 352 . 1 1 32 32 GLU CB C 13 29.331 0.600 . 1 . . . A 32 GLU CB . 25067 1 353 . 1 1 32 32 GLU CG C 13 36.189 0.600 . 1 . . . A 32 GLU CG . 25067 1 354 . 1 1 32 32 GLU N N 15 121.084 0.600 . 1 . . . A 32 GLU N . 25067 1 355 . 1 1 33 33 ALA H H 1 8.383 0.030 . 1 . . . A 33 ALA H . 25067 1 356 . 1 1 33 33 ALA HA H 1 4.090 0.030 . 1 . . . A 33 ALA HA . 25067 1 357 . 1 1 33 33 ALA HB1 H 1 1.406 0.030 . 1 . . . A 33 ALA HB1 . 25067 1 358 . 1 1 33 33 ALA HB2 H 1 1.406 0.030 . 1 . . . A 33 ALA HB2 . 25067 1 359 . 1 1 33 33 ALA HB3 H 1 1.406 0.030 . 1 . . . A 33 ALA HB3 . 25067 1 360 . 1 1 33 33 ALA C C 13 180.244 0.600 . 1 . . . A 33 ALA C . 25067 1 361 . 1 1 33 33 ALA CA C 13 55.519 0.600 . 1 . . . A 33 ALA CA . 25067 1 362 . 1 1 33 33 ALA CB C 13 17.968 0.600 . 1 . . . A 33 ALA CB . 25067 1 363 . 1 1 33 33 ALA N N 15 122.906 0.600 . 1 . . . A 33 ALA N . 25067 1 364 . 1 1 34 34 LYS H H 1 7.885 0.030 . 1 . . . A 34 LYS H . 25067 1 365 . 1 1 34 34 LYS HA H 1 4.190 0.030 . 1 . . . A 34 LYS HA . 25067 1 366 . 1 1 34 34 LYS HB2 H 1 2.136 0.030 . 2 . . . A 34 LYS HB2 . 25067 1 367 . 1 1 34 34 LYS HB3 H 1 2.042 0.030 . 2 . . . A 34 LYS HB3 . 25067 1 368 . 1 1 34 34 LYS HG2 H 1 1.574 0.030 . 1 . . . A 34 LYS HG2 . 25067 1 369 . 1 1 34 34 LYS HG3 H 1 1.574 0.030 . 1 . . . A 34 LYS HG3 . 25067 1 370 . 1 1 34 34 LYS HD2 H 1 1.737 0.030 . 1 . . . A 34 LYS HD2 . 25067 1 371 . 1 1 34 34 LYS HD3 H 1 1.737 0.030 . 1 . . . A 34 LYS HD3 . 25067 1 372 . 1 1 34 34 LYS HE2 H 1 3.018 0.030 . 1 . . . A 34 LYS HE2 . 25067 1 373 . 1 1 34 34 LYS HE3 H 1 3.018 0.030 . 1 . . . A 34 LYS HE3 . 25067 1 374 . 1 1 34 34 LYS C C 13 179.198 0.600 . 1 . . . A 34 LYS C . 25067 1 375 . 1 1 34 34 LYS CA C 13 59.481 0.600 . 1 . . . A 34 LYS CA . 25067 1 376 . 1 1 34 34 LYS CB C 13 32.452 0.600 . 1 . . . A 34 LYS CB . 25067 1 377 . 1 1 34 34 LYS CG C 13 25.025 0.600 . 1 . . . A 34 LYS CG . 25067 1 378 . 1 1 34 34 LYS CD C 13 29.335 0.600 . 1 . . . A 34 LYS CD . 25067 1 379 . 1 1 34 34 LYS CE C 13 42.000 0.600 . 1 . . . A 34 LYS CE . 25067 1 380 . 1 1 34 34 LYS N N 15 119.560 0.600 . 1 . . . A 34 LYS N . 25067 1 381 . 1 1 35 35 GLU H H 1 8.042 0.030 . 1 . . . A 35 GLU H . 25067 1 382 . 1 1 35 35 GLU HA H 1 4.181 0.030 . 1 . . . A 35 GLU HA . 25067 1 383 . 1 1 35 35 GLU HB2 H 1 2.194 0.030 . 2 . . . A 35 GLU HB2 . 25067 1 384 . 1 1 35 35 GLU HB3 H 1 2.090 0.030 . 2 . . . A 35 GLU HB3 . 25067 1 385 . 1 1 35 35 GLU HG2 H 1 2.418 0.030 . 1 . . . A 35 GLU HG2 . 25067 1 386 . 1 1 35 35 GLU HG3 H 1 2.418 0.030 . 1 . . . A 35 GLU HG3 . 25067 1 387 . 1 1 35 35 GLU C C 13 179.288 0.600 . 1 . . . A 35 GLU C . 25067 1 388 . 1 1 35 35 GLU CA C 13 59.391 0.600 . 1 . . . A 35 GLU CA . 25067 1 389 . 1 1 35 35 GLU CB C 13 29.344 0.600 . 1 . . . A 35 GLU CB . 25067 1 390 . 1 1 35 35 GLU CG C 13 36.224 0.600 . 1 . . . A 35 GLU CG . 25067 1 391 . 1 1 35 35 GLU N N 15 121.053 0.600 . 1 . . . A 35 GLU N . 25067 1 392 . 1 1 36 36 LEU H H 1 8.434 0.030 . 1 . . . A 36 LEU H . 25067 1 393 . 1 1 36 36 LEU HA H 1 4.237 0.030 . 1 . . . A 36 LEU HA . 25067 1 394 . 1 1 36 36 LEU HB2 H 1 1.916 0.030 . 2 . . . A 36 LEU HB2 . 25067 1 395 . 1 1 36 36 LEU HB3 H 1 1.890 0.030 . 2 . . . A 36 LEU HB3 . 25067 1 396 . 1 1 36 36 LEU HG H 1 1.777 0.030 . 1 . . . A 36 LEU HG . 25067 1 397 . 1 1 36 36 LEU HD11 H 1 1.029 0.030 . 2 . . . A 36 LEU HD11 . 25067 1 398 . 1 1 36 36 LEU HD12 H 1 1.029 0.030 . 2 . . . A 36 LEU HD12 . 25067 1 399 . 1 1 36 36 LEU HD13 H 1 1.029 0.030 . 2 . . . A 36 LEU HD13 . 25067 1 400 . 1 1 36 36 LEU HD21 H 1 0.993 0.030 . 2 . . . A 36 LEU HD21 . 25067 1 401 . 1 1 36 36 LEU HD22 H 1 0.993 0.030 . 2 . . . A 36 LEU HD22 . 25067 1 402 . 1 1 36 36 LEU HD23 H 1 0.993 0.030 . 2 . . . A 36 LEU HD23 . 25067 1 403 . 1 1 36 36 LEU C C 13 177.982 0.600 . 1 . . . A 36 LEU C . 25067 1 404 . 1 1 36 36 LEU CA C 13 57.737 0.600 . 1 . . . A 36 LEU CA . 25067 1 405 . 1 1 36 36 LEU CB C 13 41.941 0.600 . 1 . . . A 36 LEU CB . 25067 1 406 . 1 1 36 36 LEU CG C 13 26.891 0.600 . 1 . . . A 36 LEU CG . 25067 1 407 . 1 1 36 36 LEU CD1 C 13 23.703 0.600 . 1 . . . A 36 LEU CD1 . 25067 1 408 . 1 1 36 36 LEU CD2 C 13 25.125 0.600 . 1 . . . A 36 LEU CD2 . 25067 1 409 . 1 1 36 36 LEU N N 15 121.053 0.600 . 1 . . . A 36 LEU N . 25067 1 410 . 1 1 37 37 LEU H H 1 7.883 0.030 . 1 . . . A 37 LEU H . 25067 1 411 . 1 1 37 37 LEU HA H 1 3.616 0.030 . 1 . . . A 37 LEU HA . 25067 1 412 . 1 1 37 37 LEU HB2 H 1 1.858 0.030 . 1 . . . A 37 LEU HB2 . 25067 1 413 . 1 1 37 37 LEU HB3 H 1 1.672 0.030 . 1 . . . A 37 LEU HB3 . 25067 1 414 . 1 1 37 37 LEU HG H 1 1.165 0.030 . 1 . . . A 37 LEU HG . 25067 1 415 . 1 1 37 37 LEU HD11 H 1 0.438 0.030 . 2 . . . A 37 LEU HD11 . 25067 1 416 . 1 1 37 37 LEU HD12 H 1 0.438 0.030 . 2 . . . A 37 LEU HD12 . 25067 1 417 . 1 1 37 37 LEU HD13 H 1 0.438 0.030 . 2 . . . A 37 LEU HD13 . 25067 1 418 . 1 1 37 37 LEU HD21 H 1 0.447 0.030 . 2 . . . A 37 LEU HD21 . 25067 1 419 . 1 1 37 37 LEU HD22 H 1 0.447 0.030 . 2 . . . A 37 LEU HD22 . 25067 1 420 . 1 1 37 37 LEU HD23 H 1 0.447 0.030 . 2 . . . A 37 LEU HD23 . 25067 1 421 . 1 1 37 37 LEU C C 13 178.070 0.600 . 1 . . . A 37 LEU C . 25067 1 422 . 1 1 37 37 LEU CA C 13 59.549 0.600 . 1 . . . A 37 LEU CA . 25067 1 423 . 1 1 37 37 LEU CB C 13 42.148 0.600 . 1 . . . A 37 LEU CB . 25067 1 424 . 1 1 37 37 LEU CG C 13 27.246 0.600 . 1 . . . A 37 LEU CG . 25067 1 425 . 1 1 37 37 LEU CD1 C 13 25.950 0.600 . 1 . . . A 37 LEU CD1 . 25067 1 426 . 1 1 37 37 LEU CD2 C 13 23.892 0.600 . 1 . . . A 37 LEU CD2 . 25067 1 427 . 1 1 37 37 LEU N N 15 120.035 0.600 . 1 . . . A 37 LEU N . 25067 1 428 . 1 1 38 38 LYS H H 1 7.102 0.030 . 1 . . . A 38 LYS H . 25067 1 429 . 1 1 38 38 LYS HA H 1 3.796 0.030 . 1 . . . A 38 LYS HA . 25067 1 430 . 1 1 38 38 LYS HB2 H 1 2.015 0.030 . 2 . . . A 38 LYS HB2 . 25067 1 431 . 1 1 38 38 LYS HB3 H 1 1.966 0.030 . 2 . . . A 38 LYS HB3 . 25067 1 432 . 1 1 38 38 LYS HG2 H 1 1.545 0.030 . 1 . . . A 38 LYS HG2 . 25067 1 433 . 1 1 38 38 LYS HG3 H 1 1.545 0.030 . 1 . . . A 38 LYS HG3 . 25067 1 434 . 1 1 38 38 LYS HD2 H 1 1.733 0.030 . 1 . . . A 38 LYS HD2 . 25067 1 435 . 1 1 38 38 LYS HD3 H 1 1.733 0.030 . 1 . . . A 38 LYS HD3 . 25067 1 436 . 1 1 38 38 LYS HE2 H 1 2.914 0.030 . 1 . . . A 38 LYS HE2 . 25067 1 437 . 1 1 38 38 LYS HE3 H 1 2.914 0.030 . 1 . . . A 38 LYS HE3 . 25067 1 438 . 1 1 38 38 LYS C C 13 178.246 0.600 . 1 . . . A 38 LYS C . 25067 1 439 . 1 1 38 38 LYS CA C 13 59.515 0.600 . 1 . . . A 38 LYS CA . 25067 1 440 . 1 1 38 38 LYS CB C 13 32.595 0.600 . 1 . . . A 38 LYS CB . 25067 1 441 . 1 1 38 38 LYS CG C 13 25.150 0.600 . 1 . . . A 38 LYS CG . 25067 1 442 . 1 1 38 38 LYS CD C 13 29.092 0.600 . 1 . . . A 38 LYS CD . 25067 1 443 . 1 1 38 38 LYS CE C 13 41.976 0.600 . 1 . . . A 38 LYS CE . 25067 1 444 . 1 1 38 38 LYS N N 15 116.604 0.600 . 1 . . . A 38 LYS N . 25067 1 445 . 1 1 39 39 LYS H H 1 7.752 0.030 . 1 . . . A 39 LYS H . 25067 1 446 . 1 1 39 39 LYS HA H 1 4.155 0.030 . 1 . . . A 39 LYS HA . 25067 1 447 . 1 1 39 39 LYS HB2 H 1 2.013 0.030 . 2 . . . A 39 LYS HB2 . 25067 1 448 . 1 1 39 39 LYS HB3 H 1 1.949 0.030 . 2 . . . A 39 LYS HB3 . 25067 1 449 . 1 1 39 39 LYS HG2 H 1 1.530 0.030 . 1 . . . A 39 LYS HG2 . 25067 1 450 . 1 1 39 39 LYS HG3 H 1 1.530 0.030 . 1 . . . A 39 LYS HG3 . 25067 1 451 . 1 1 39 39 LYS HD2 H 1 1.702 0.030 . 1 . . . A 39 LYS HD2 . 25067 1 452 . 1 1 39 39 LYS HD3 H 1 1.702 0.030 . 1 . . . A 39 LYS HD3 . 25067 1 453 . 1 1 39 39 LYS HE2 H 1 3.014 0.030 . 1 . . . A 39 LYS HE2 . 25067 1 454 . 1 1 39 39 LYS HE3 H 1 3.014 0.030 . 1 . . . A 39 LYS HE3 . 25067 1 455 . 1 1 39 39 LYS C C 13 179.464 0.600 . 1 . . . A 39 LYS C . 25067 1 456 . 1 1 39 39 LYS CA C 13 59.126 0.600 . 1 . . . A 39 LYS CA . 25067 1 457 . 1 1 39 39 LYS CB C 13 32.694 0.600 . 1 . . . A 39 LYS CB . 25067 1 458 . 1 1 39 39 LYS CG C 13 25.157 0.600 . 1 . . . A 39 LYS CG . 25067 1 459 . 1 1 39 39 LYS CD C 13 29.331 0.600 . 1 . . . A 39 LYS CD . 25067 1 460 . 1 1 39 39 LYS CE C 13 41.981 0.600 . 1 . . . A 39 LYS CE . 25067 1 461 . 1 1 39 39 LYS N N 15 118.823 0.600 . 1 . . . A 39 LYS N . 25067 1 462 . 1 1 40 40 VAL H H 1 8.925 0.030 . 1 . . . A 40 VAL H . 25067 1 463 . 1 1 40 40 VAL HA H 1 3.353 0.030 . 1 . . . A 40 VAL HA . 25067 1 464 . 1 1 40 40 VAL HB H 1 1.925 0.030 . 1 . . . A 40 VAL HB . 25067 1 465 . 1 1 40 40 VAL HG11 H 1 0.676 0.030 . 2 . . . A 40 VAL HG11 . 25067 1 466 . 1 1 40 40 VAL HG12 H 1 0.676 0.030 . 2 . . . A 40 VAL HG12 . 25067 1 467 . 1 1 40 40 VAL HG13 H 1 0.676 0.030 . 2 . . . A 40 VAL HG13 . 25067 1 468 . 1 1 40 40 VAL HG21 H 1 0.378 0.030 . 2 . . . A 40 VAL HG21 . 25067 1 469 . 1 1 40 40 VAL HG22 H 1 0.378 0.030 . 2 . . . A 40 VAL HG22 . 25067 1 470 . 1 1 40 40 VAL HG23 H 1 0.378 0.030 . 2 . . . A 40 VAL HG23 . 25067 1 471 . 1 1 40 40 VAL C C 13 178.612 0.600 . 1 . . . A 40 VAL C . 25067 1 472 . 1 1 40 40 VAL CA C 13 66.336 0.600 . 1 . . . A 40 VAL CA . 25067 1 473 . 1 1 40 40 VAL CB C 13 31.152 0.600 . 1 . . . A 40 VAL CB . 25067 1 474 . 1 1 40 40 VAL CG1 C 13 21.266 0.600 . 1 . . . A 40 VAL CG1 . 25067 1 475 . 1 1 40 40 VAL CG2 C 13 21.731 0.600 . 1 . . . A 40 VAL CG2 . 25067 1 476 . 1 1 40 40 VAL N N 15 119.336 0.600 . 1 . . . A 40 VAL N . 25067 1 477 . 1 1 41 41 ALA H H 1 8.001 0.030 . 1 . . . A 41 ALA H . 25067 1 478 . 1 1 41 41 ALA HA H 1 3.895 0.030 . 1 . . . A 41 ALA HA . 25067 1 479 . 1 1 41 41 ALA HB1 H 1 1.382 0.030 . 1 . . . A 41 ALA HB1 . 25067 1 480 . 1 1 41 41 ALA HB2 H 1 1.382 0.030 . 1 . . . A 41 ALA HB2 . 25067 1 481 . 1 1 41 41 ALA HB3 H 1 1.382 0.030 . 1 . . . A 41 ALA HB3 . 25067 1 482 . 1 1 41 41 ALA C C 13 179.163 0.600 . 1 . . . A 41 ALA C . 25067 1 483 . 1 1 41 41 ALA CA C 13 55.025 0.600 . 1 . . . A 41 ALA CA . 25067 1 484 . 1 1 41 41 ALA CB C 13 18.695 0.600 . 1 . . . A 41 ALA CB . 25067 1 485 . 1 1 41 41 ALA N N 15 120.709 0.600 . 1 . . . A 41 ALA N . 25067 1 486 . 1 1 42 42 GLU H H 1 8.197 0.030 . 1 . . . A 42 GLU H . 25067 1 487 . 1 1 42 42 GLU HA H 1 3.936 0.030 . 1 . . . A 42 GLU HA . 25067 1 488 . 1 1 42 42 GLU HB2 H 1 2.189 0.030 . 2 . . . A 42 GLU HB2 . 25067 1 489 . 1 1 42 42 GLU HB3 H 1 2.091 0.030 . 2 . . . A 42 GLU HB3 . 25067 1 490 . 1 1 42 42 GLU HG2 H 1 2.531 0.030 . 2 . . . A 42 GLU HG2 . 25067 1 491 . 1 1 42 42 GLU HG3 H 1 2.230 0.030 . 2 . . . A 42 GLU HG3 . 25067 1 492 . 1 1 42 42 GLU C C 13 179.452 0.600 . 1 . . . A 42 GLU C . 25067 1 493 . 1 1 42 42 GLU CA C 13 59.611 0.600 . 1 . . . A 42 GLU CA . 25067 1 494 . 1 1 42 42 GLU CB C 13 29.739 0.600 . 1 . . . A 42 GLU CB . 25067 1 495 . 1 1 42 42 GLU CG C 13 36.408 0.600 . 1 . . . A 42 GLU CG . 25067 1 496 . 1 1 42 42 GLU N N 15 117.330 0.600 . 1 . . . A 42 GLU N . 25067 1 497 . 1 1 43 43 LYS H H 1 8.119 0.030 . 1 . . . A 43 LYS H . 25067 1 498 . 1 1 43 43 LYS HA H 1 4.198 0.030 . 1 . . . A 43 LYS HA . 25067 1 499 . 1 1 43 43 LYS HB2 H 1 2.072 0.030 . 1 . . . A 43 LYS HB2 . 25067 1 500 . 1 1 43 43 LYS HB3 H 1 2.072 0.030 . 1 . . . A 43 LYS HB3 . 25067 1 501 . 1 1 43 43 LYS HG2 H 1 1.679 0.030 . 1 . . . A 43 LYS HG2 . 25067 1 502 . 1 1 43 43 LYS HG3 H 1 1.679 0.030 . 1 . . . A 43 LYS HG3 . 25067 1 503 . 1 1 43 43 LYS HD2 H 1 1.689 0.030 . 1 . . . A 43 LYS HD2 . 25067 1 504 . 1 1 43 43 LYS HD3 H 1 1.689 0.030 . 1 . . . A 43 LYS HD3 . 25067 1 505 . 1 1 43 43 LYS HE2 H 1 3.316 0.030 . 1 . . . A 43 LYS HE2 . 25067 1 506 . 1 1 43 43 LYS HE3 H 1 3.316 0.030 . 1 . . . A 43 LYS HE3 . 25067 1 507 . 1 1 43 43 LYS C C 13 179.595 0.600 . 1 . . . A 43 LYS C . 25067 1 508 . 1 1 43 43 LYS CA C 13 58.769 0.600 . 1 . . . A 43 LYS CA . 25067 1 509 . 1 1 43 43 LYS CB C 13 32.071 0.600 . 1 . . . A 43 LYS CB . 25067 1 510 . 1 1 43 43 LYS CG C 13 25.002 0.600 . 1 . . . A 43 LYS CG . 25067 1 511 . 1 1 43 43 LYS CD C 13 28.709 0.600 . 1 . . . A 43 LYS CD . 25067 1 512 . 1 1 43 43 LYS CE C 13 41.837 0.600 . 1 . . . A 43 LYS CE . 25067 1 513 . 1 1 43 43 LYS N N 15 119.586 0.600 . 1 . . . A 43 LYS N . 25067 1 514 . 1 1 44 44 ALA H H 1 8.396 0.030 . 1 . . . A 44 ALA H . 25067 1 515 . 1 1 44 44 ALA HA H 1 4.266 0.030 . 1 . . . A 44 ALA HA . 25067 1 516 . 1 1 44 44 ALA HB1 H 1 1.413 0.030 . 1 . . . A 44 ALA HB1 . 25067 1 517 . 1 1 44 44 ALA HB2 H 1 1.413 0.030 . 1 . . . A 44 ALA HB2 . 25067 1 518 . 1 1 44 44 ALA HB3 H 1 1.413 0.030 . 1 . . . A 44 ALA HB3 . 25067 1 519 . 1 1 44 44 ALA C C 13 178.937 0.600 . 1 . . . A 44 ALA C . 25067 1 520 . 1 1 44 44 ALA CA C 13 54.990 0.600 . 1 . . . A 44 ALA CA . 25067 1 521 . 1 1 44 44 ALA CB C 13 17.801 0.600 . 1 . . . A 44 ALA CB . 25067 1 522 . 1 1 44 44 ALA N N 15 121.948 0.600 . 1 . . . A 44 ALA N . 25067 1 523 . 1 1 45 45 ALA H H 1 8.519 0.030 . 1 . . . A 45 ALA H . 25067 1 524 . 1 1 45 45 ALA HA H 1 3.957 0.030 . 1 . . . A 45 ALA HA . 25067 1 525 . 1 1 45 45 ALA HB1 H 1 1.520 0.030 . 1 . . . A 45 ALA HB1 . 25067 1 526 . 1 1 45 45 ALA HB2 H 1 1.520 0.030 . 1 . . . A 45 ALA HB2 . 25067 1 527 . 1 1 45 45 ALA HB3 H 1 1.520 0.030 . 1 . . . A 45 ALA HB3 . 25067 1 528 . 1 1 45 45 ALA C C 13 178.887 0.600 . 1 . . . A 45 ALA C . 25067 1 529 . 1 1 45 45 ALA CA C 13 55.568 0.600 . 1 . . . A 45 ALA CA . 25067 1 530 . 1 1 45 45 ALA CB C 13 18.027 0.600 . 1 . . . A 45 ALA CB . 25067 1 531 . 1 1 45 45 ALA N N 15 118.814 0.600 . 1 . . . A 45 ALA N . 25067 1 532 . 1 1 46 46 ASP H H 1 7.852 0.030 . 1 . . . A 46 ASP H . 25067 1 533 . 1 1 46 46 ASP HA H 1 4.399 0.030 . 1 . . . A 46 ASP HA . 25067 1 534 . 1 1 46 46 ASP HB2 H 1 2.868 0.030 . 2 . . . A 46 ASP HB2 . 25067 1 535 . 1 1 46 46 ASP HB3 H 1 2.769 0.030 . 2 . . . A 46 ASP HB3 . 25067 1 536 . 1 1 46 46 ASP C C 13 178.020 0.600 . 1 . . . A 46 ASP C . 25067 1 537 . 1 1 46 46 ASP CA C 13 57.640 0.600 . 1 . . . A 46 ASP CA . 25067 1 538 . 1 1 46 46 ASP CB C 13 41.836 0.600 . 1 . . . A 46 ASP CB . 25067 1 539 . 1 1 46 46 ASP N N 15 116.930 0.600 . 1 . . . A 46 ASP N . 25067 1 540 . 1 1 47 47 LYS H H 1 7.692 0.030 . 1 . . . A 47 LYS H . 25067 1 541 . 1 1 47 47 LYS HA H 1 4.093 0.030 . 1 . . . A 47 LYS HA . 25067 1 542 . 1 1 47 47 LYS HB2 H 1 2.068 0.030 . 1 . . . A 47 LYS HB2 . 25067 1 543 . 1 1 47 47 LYS HB3 H 1 2.068 0.030 . 1 . . . A 47 LYS HB3 . 25067 1 544 . 1 1 47 47 LYS HG2 H 1 1.472 0.030 . 1 . . . A 47 LYS HG2 . 25067 1 545 . 1 1 47 47 LYS HG3 H 1 1.472 0.030 . 1 . . . A 47 LYS HG3 . 25067 1 546 . 1 1 47 47 LYS HD2 H 1 1.718 0.030 . 1 . . . A 47 LYS HD2 . 25067 1 547 . 1 1 47 47 LYS HD3 H 1 1.718 0.030 . 1 . . . A 47 LYS HD3 . 25067 1 548 . 1 1 47 47 LYS HE2 H 1 3.073 0.030 . 1 . . . A 47 LYS HE2 . 25067 1 549 . 1 1 47 47 LYS HE3 H 1 3.073 0.030 . 1 . . . A 47 LYS HE3 . 25067 1 550 . 1 1 47 47 LYS C C 13 178.924 0.600 . 1 . . . A 47 LYS C . 25067 1 551 . 1 1 47 47 LYS CA C 13 59.672 0.600 . 1 . . . A 47 LYS CA . 25067 1 552 . 1 1 47 47 LYS CB C 13 32.511 0.600 . 1 . . . A 47 LYS CB . 25067 1 553 . 1 1 47 47 LYS CG C 13 24.764 0.600 . 1 . . . A 47 LYS CG . 25067 1 554 . 1 1 47 47 LYS CD C 13 29.246 0.600 . 1 . . . A 47 LYS CD . 25067 1 555 . 1 1 47 47 LYS CE C 13 41.988 0.600 . 1 . . . A 47 LYS CE . 25067 1 556 . 1 1 47 47 LYS N N 15 119.467 0.600 . 1 . . . A 47 LYS N . 25067 1 557 . 1 1 48 48 ILE H H 1 8.585 0.030 . 1 . . . A 48 ILE H . 25067 1 558 . 1 1 48 48 ILE HA H 1 3.740 0.030 . 1 . . . A 48 ILE HA . 25067 1 559 . 1 1 48 48 ILE HB H 1 1.918 0.030 . 1 . . . A 48 ILE HB . 25067 1 560 . 1 1 48 48 ILE HG12 H 1 1.001 0.030 . 1 . . . A 48 ILE HG12 . 25067 1 561 . 1 1 48 48 ILE HG13 H 1 1.001 0.030 . 1 . . . A 48 ILE HG13 . 25067 1 562 . 1 1 48 48 ILE HG21 H 1 0.887 0.030 . 1 . . . A 48 ILE HG21 . 25067 1 563 . 1 1 48 48 ILE HG22 H 1 0.887 0.030 . 1 . . . A 48 ILE HG22 . 25067 1 564 . 1 1 48 48 ILE HG23 H 1 0.887 0.030 . 1 . . . A 48 ILE HG23 . 25067 1 565 . 1 1 48 48 ILE HD11 H 1 0.658 0.030 . 1 . . . A 48 ILE HD11 . 25067 1 566 . 1 1 48 48 ILE HD12 H 1 0.658 0.030 . 1 . . . A 48 ILE HD12 . 25067 1 567 . 1 1 48 48 ILE HD13 H 1 0.658 0.030 . 1 . . . A 48 ILE HD13 . 25067 1 568 . 1 1 48 48 ILE C C 13 179.025 0.600 . 1 . . . A 48 ILE C . 25067 1 569 . 1 1 48 48 ILE CA C 13 64.978 0.600 . 1 . . . A 48 ILE CA . 25067 1 570 . 1 1 48 48 ILE CB C 13 38.292 0.600 . 1 . . . A 48 ILE CB . 25067 1 571 . 1 1 48 48 ILE CG1 C 13 29.284 0.600 . 1 . . . A 48 ILE CG1 . 25067 1 572 . 1 1 48 48 ILE CG2 C 13 17.700 0.600 . 1 . . . A 48 ILE CG2 . 25067 1 573 . 1 1 48 48 ILE CD1 C 13 14.796 0.600 . 1 . . . A 48 ILE CD1 . 25067 1 574 . 1 1 48 48 ILE N N 15 119.929 0.600 . 1 . . . A 48 ILE N . 25067 1 575 . 1 1 49 49 LYS H H 1 8.353 0.030 . 1 . . . A 49 LYS H . 25067 1 576 . 1 1 49 49 LYS HA H 1 4.017 0.030 . 1 . . . A 49 LYS HA . 25067 1 577 . 1 1 49 49 LYS HB2 H 1 1.957 0.030 . 1 . . . A 49 LYS HB2 . 25067 1 578 . 1 1 49 49 LYS HB3 H 1 1.957 0.030 . 1 . . . A 49 LYS HB3 . 25067 1 579 . 1 1 49 49 LYS HG2 H 1 1.475 0.030 . 1 . . . A 49 LYS HG2 . 25067 1 580 . 1 1 49 49 LYS HG3 H 1 1.475 0.030 . 1 . . . A 49 LYS HG3 . 25067 1 581 . 1 1 49 49 LYS HD2 H 1 1.650 0.030 . 1 . . . A 49 LYS HD2 . 25067 1 582 . 1 1 49 49 LYS HD3 H 1 1.650 0.030 . 1 . . . A 49 LYS HD3 . 25067 1 583 . 1 1 49 49 LYS HE2 H 1 3.003 0.030 . 1 . . . A 49 LYS HE2 . 25067 1 584 . 1 1 49 49 LYS HE3 H 1 3.003 0.030 . 1 . . . A 49 LYS HE3 . 25067 1 585 . 1 1 49 49 LYS C C 13 179.025 0.600 . 1 . . . A 49 LYS C . 25067 1 586 . 1 1 49 49 LYS CA C 13 59.647 0.600 . 1 . . . A 49 LYS CA . 25067 1 587 . 1 1 49 49 LYS CB C 13 32.601 0.600 . 1 . . . A 49 LYS CB . 25067 1 588 . 1 1 49 49 LYS CG C 13 25.146 0.600 . 1 . . . A 49 LYS CG . 25067 1 589 . 1 1 49 49 LYS CD C 13 29.012 0.600 . 1 . . . A 49 LYS CD . 25067 1 590 . 1 1 49 49 LYS CE C 13 42.014 0.600 . 1 . . . A 49 LYS CE . 25067 1 591 . 1 1 49 49 LYS N N 15 119.534 0.600 . 1 . . . A 49 LYS N . 25067 1 592 . 1 1 50 50 LYS H H 1 7.996 0.030 . 1 . . . A 50 LYS H . 25067 1 593 . 1 1 50 50 LYS HA H 1 4.216 0.030 . 1 . . . A 50 LYS HA . 25067 1 594 . 1 1 50 50 LYS HB2 H 1 1.979 0.030 . 1 . . . A 50 LYS HB2 . 25067 1 595 . 1 1 50 50 LYS HB3 H 1 1.979 0.030 . 1 . . . A 50 LYS HB3 . 25067 1 596 . 1 1 50 50 LYS HG2 H 1 1.656 0.030 . 2 . . . A 50 LYS HG2 . 25067 1 597 . 1 1 50 50 LYS HG3 H 1 1.489 0.030 . 2 . . . A 50 LYS HG3 . 25067 1 598 . 1 1 50 50 LYS HD2 H 1 1.612 0.030 . 1 . . . A 50 LYS HD2 . 25067 1 599 . 1 1 50 50 LYS HD3 H 1 1.612 0.030 . 1 . . . A 50 LYS HD3 . 25067 1 600 . 1 1 50 50 LYS HE2 H 1 2.881 0.030 . 1 . . . A 50 LYS HE2 . 25067 1 601 . 1 1 50 50 LYS HE3 H 1 2.881 0.030 . 1 . . . A 50 LYS HE3 . 25067 1 602 . 1 1 50 50 LYS C C 13 178.510 0.600 . 1 . . . A 50 LYS C . 25067 1 603 . 1 1 50 50 LYS CA C 13 58.497 0.600 . 1 . . . A 50 LYS CA . 25067 1 604 . 1 1 50 50 LYS CB C 13 33.322 0.600 . 1 . . . A 50 LYS CB . 25067 1 605 . 1 1 50 50 LYS CG C 13 25.908 0.600 . 1 . . . A 50 LYS CG . 25067 1 606 . 1 1 50 50 LYS CD C 13 29.118 0.600 . 1 . . . A 50 LYS CD . 25067 1 607 . 1 1 50 50 LYS CE C 13 42.174 0.600 . 1 . . . A 50 LYS CE . 25067 1 608 . 1 1 50 50 LYS N N 15 117.423 0.600 . 1 . . . A 50 LYS N . 25067 1 609 . 1 1 51 51 GLN H H 1 8.384 0.030 . 1 . . . A 51 GLN H . 25067 1 610 . 1 1 51 51 GLN HA H 1 4.481 0.030 . 1 . . . A 51 GLN HA . 25067 1 611 . 1 1 51 51 GLN HB2 H 1 2.315 0.030 . 2 . . . A 51 GLN HB2 . 25067 1 612 . 1 1 51 51 GLN HB3 H 1 2.187 0.030 . 2 . . . A 51 GLN HB3 . 25067 1 613 . 1 1 51 51 GLN HG2 H 1 2.543 0.030 . 2 . . . A 51 GLN HG2 . 25067 1 614 . 1 1 51 51 GLN HG3 H 1 2.487 0.030 . 2 . . . A 51 GLN HG3 . 25067 1 615 . 1 1 51 51 GLN HE21 H 1 7.442 0.030 . 2 . . . A 51 GLN HE21 . 25067 1 616 . 1 1 51 51 GLN HE22 H 1 7.013 0.030 . 2 . . . A 51 GLN HE22 . 25067 1 617 . 1 1 51 51 GLN C C 13 177.292 0.600 . 1 . . . A 51 GLN C . 25067 1 618 . 1 1 51 51 GLN CA C 13 56.007 0.600 . 1 . . . A 51 GLN CA . 25067 1 619 . 1 1 51 51 GLN CB C 13 29.940 0.600 . 1 . . . A 51 GLN CB . 25067 1 620 . 1 1 51 51 GLN CG C 13 34.374 0.600 . 1 . . . A 51 GLN CG . 25067 1 621 . 1 1 51 51 GLN N N 15 115.137 0.600 . 1 . . . A 51 GLN N . 25067 1 622 . 1 1 51 51 GLN NE2 N 15 110.710 0.600 . 1 . . . A 51 GLN NE2 . 25067 1 623 . 1 1 52 52 GLY H H 1 8.218 0.030 . 1 . . . A 52 GLY H . 25067 1 624 . 1 1 52 52 GLY HA2 H 1 3.941 0.030 . 2 . . . A 52 GLY HA2 . 25067 1 625 . 1 1 52 52 GLY HA3 H 1 3.851 0.030 . 2 . . . A 52 GLY HA3 . 25067 1 626 . 1 1 52 52 GLY C C 13 174.391 0.600 . 1 . . . A 52 GLY C . 25067 1 627 . 1 1 52 52 GLY CA C 13 46.560 0.600 . 1 . . . A 52 GLY CA . 25067 1 628 . 1 1 52 52 GLY N N 15 109.119 0.600 . 1 . . . A 52 GLY N . 25067 1 629 . 1 1 53 53 CYS H H 1 7.623 0.030 . 1 . . . A 53 CYS H . 25067 1 630 . 1 1 53 53 CYS HA H 1 4.485 0.030 . 1 . . . A 53 CYS HA . 25067 1 631 . 1 1 53 53 CYS HB2 H 1 3.103 0.030 . 2 . . . A 53 CYS HB2 . 25067 1 632 . 1 1 53 53 CYS HB3 H 1 2.951 0.030 . 2 . . . A 53 CYS HB3 . 25067 1 633 . 1 1 53 53 CYS C C 13 173.989 0.600 . 1 . . . A 53 CYS C . 25067 1 634 . 1 1 53 53 CYS CA C 13 58.148 0.600 . 1 . . . A 53 CYS CA . 25067 1 635 . 1 1 53 53 CYS CB C 13 28.714 0.600 . 1 . . . A 53 CYS CB . 25067 1 636 . 1 1 53 53 CYS N N 15 116.935 0.600 . 1 . . . A 53 CYS N . 25067 1 637 . 1 1 54 54 LYS H H 1 8.765 0.030 . 1 . . . A 54 LYS H . 25067 1 638 . 1 1 54 54 LYS HA H 1 4.500 0.030 . 1 . . . A 54 LYS HA . 25067 1 639 . 1 1 54 54 LYS HB2 H 1 2.158 0.030 . 2 . . . A 54 LYS HB2 . 25067 1 640 . 1 1 54 54 LYS HB3 H 1 1.881 0.030 . 2 . . . A 54 LYS HB3 . 25067 1 641 . 1 1 54 54 LYS HG2 H 1 1.469 0.030 . 1 . . . A 54 LYS HG2 . 25067 1 642 . 1 1 54 54 LYS HG3 H 1 1.469 0.030 . 1 . . . A 54 LYS HG3 . 25067 1 643 . 1 1 54 54 LYS HD2 H 1 1.726 0.030 . 1 . . . A 54 LYS HD2 . 25067 1 644 . 1 1 54 54 LYS HD3 H 1 1.726 0.030 . 1 . . . A 54 LYS HD3 . 25067 1 645 . 1 1 54 54 LYS HE2 H 1 3.005 0.030 . 1 . . . A 54 LYS HE2 . 25067 1 646 . 1 1 54 54 LYS HE3 H 1 3.005 0.030 . 1 . . . A 54 LYS HE3 . 25067 1 647 . 1 1 54 54 LYS C C 13 174.793 0.600 . 1 . . . A 54 LYS C . 25067 1 648 . 1 1 54 54 LYS CA C 13 56.326 0.600 . 1 . . . A 54 LYS CA . 25067 1 649 . 1 1 54 54 LYS CB C 13 33.710 0.600 . 1 . . . A 54 LYS CB . 25067 1 650 . 1 1 54 54 LYS CG C 13 24.661 0.600 . 1 . . . A 54 LYS CG . 25067 1 651 . 1 1 54 54 LYS CD C 13 29.035 0.600 . 1 . . . A 54 LYS CD . 25067 1 652 . 1 1 54 54 LYS CE C 13 41.941 0.600 . 1 . . . A 54 LYS CE . 25067 1 653 . 1 1 54 54 LYS N N 15 120.659 0.600 . 1 . . . A 54 LYS N . 25067 1 654 . 1 1 55 55 ARG H H 1 7.603 0.030 . 1 . . . A 55 ARG H . 25067 1 655 . 1 1 55 55 ARG HA H 1 5.443 0.030 . 1 . . . A 55 ARG HA . 25067 1 656 . 1 1 55 55 ARG HB2 H 1 1.854 0.030 . 2 . . . A 55 ARG HB2 . 25067 1 657 . 1 1 55 55 ARG HB3 H 1 1.711 0.030 . 2 . . . A 55 ARG HB3 . 25067 1 658 . 1 1 55 55 ARG HG2 H 1 1.566 0.030 . 2 . . . A 55 ARG HG2 . 25067 1 659 . 1 1 55 55 ARG HG3 H 1 1.488 0.030 . 2 . . . A 55 ARG HG3 . 25067 1 660 . 1 1 55 55 ARG HD2 H 1 3.136 0.030 . 1 . . . A 55 ARG HD2 . 25067 1 661 . 1 1 55 55 ARG HD3 H 1 3.136 0.030 . 1 . . . A 55 ARG HD3 . 25067 1 662 . 1 1 55 55 ARG C C 13 174.517 0.600 . 1 . . . A 55 ARG C . 25067 1 663 . 1 1 55 55 ARG CA C 13 54.589 0.600 . 1 . . . A 55 ARG CA . 25067 1 664 . 1 1 55 55 ARG CB C 13 33.616 0.600 . 1 . . . A 55 ARG CB . 25067 1 665 . 1 1 55 55 ARG CG C 13 26.999 0.600 . 1 . . . A 55 ARG CG . 25067 1 666 . 1 1 55 55 ARG CD C 13 43.821 0.600 . 1 . . . A 55 ARG CD . 25067 1 667 . 1 1 55 55 ARG N N 15 117.927 0.600 . 1 . . . A 55 ARG N . 25067 1 668 . 1 1 56 56 VAL H H 1 8.853 0.030 . 1 . . . A 56 VAL H . 25067 1 669 . 1 1 56 56 VAL HA H 1 4.825 0.030 . 1 . . . A 56 VAL HA . 25067 1 670 . 1 1 56 56 VAL HB H 1 1.942 0.030 . 1 . . . A 56 VAL HB . 25067 1 671 . 1 1 56 56 VAL HG11 H 1 0.894 0.030 . 2 . . . A 56 VAL HG11 . 25067 1 672 . 1 1 56 56 VAL HG12 H 1 0.894 0.030 . 2 . . . A 56 VAL HG12 . 25067 1 673 . 1 1 56 56 VAL HG13 H 1 0.894 0.030 . 2 . . . A 56 VAL HG13 . 25067 1 674 . 1 1 56 56 VAL HG21 H 1 0.929 0.030 . 2 . . . A 56 VAL HG21 . 25067 1 675 . 1 1 56 56 VAL HG22 H 1 0.929 0.030 . 2 . . . A 56 VAL HG22 . 25067 1 676 . 1 1 56 56 VAL HG23 H 1 0.929 0.030 . 2 . . . A 56 VAL HG23 . 25067 1 677 . 1 1 56 56 VAL C C 13 173.311 0.600 . 1 . . . A 56 VAL C . 25067 1 678 . 1 1 56 56 VAL CA C 13 60.285 0.600 . 1 . . . A 56 VAL CA . 25067 1 679 . 1 1 56 56 VAL CB C 13 34.930 0.600 . 1 . . . A 56 VAL CB . 25067 1 680 . 1 1 56 56 VAL CG1 C 13 20.808 0.600 . 1 . . . A 56 VAL CG1 . 25067 1 681 . 1 1 56 56 VAL CG2 C 13 21.890 0.600 . 1 . . . A 56 VAL CG2 . 25067 1 682 . 1 1 56 56 VAL N N 15 122.079 0.600 . 1 . . . A 56 VAL N . 25067 1 683 . 1 1 57 57 LYS H H 1 8.819 0.030 . 1 . . . A 57 LYS H . 25067 1 684 . 1 1 57 57 LYS HA H 1 5.604 0.030 . 1 . . . A 57 LYS HA . 25067 1 685 . 1 1 57 57 LYS HB2 H 1 1.806 0.030 . 1 . . . A 57 LYS HB2 . 25067 1 686 . 1 1 57 57 LYS HB3 H 1 1.806 0.030 . 1 . . . A 57 LYS HB3 . 25067 1 687 . 1 1 57 57 LYS HG2 H 1 1.398 0.030 . 2 . . . A 57 LYS HG2 . 25067 1 688 . 1 1 57 57 LYS HG3 H 1 1.328 0.030 . 2 . . . A 57 LYS HG3 . 25067 1 689 . 1 1 57 57 LYS HD2 H 1 1.742 0.030 . 1 . . . A 57 LYS HD2 . 25067 1 690 . 1 1 57 57 LYS HD3 H 1 1.742 0.030 . 1 . . . A 57 LYS HD3 . 25067 1 691 . 1 1 57 57 LYS HE2 H 1 2.864 0.030 . 1 . . . A 57 LYS HE2 . 25067 1 692 . 1 1 57 57 LYS HE3 H 1 2.864 0.030 . 1 . . . A 57 LYS HE3 . 25067 1 693 . 1 1 57 57 LYS C C 13 174.881 0.600 . 1 . . . A 57 LYS C . 25067 1 694 . 1 1 57 57 LYS CA C 13 54.738 0.600 . 1 . . . A 57 LYS CA . 25067 1 695 . 1 1 57 57 LYS CB C 13 35.935 0.600 . 1 . . . A 57 LYS CB . 25067 1 696 . 1 1 57 57 LYS CG C 13 25.207 0.600 . 1 . . . A 57 LYS CG . 25067 1 697 . 1 1 57 57 LYS CD C 13 29.103 0.600 . 1 . . . A 57 LYS CD . 25067 1 698 . 1 1 57 57 LYS CE C 13 41.955 0.600 . 1 . . . A 57 LYS CE . 25067 1 699 . 1 1 57 57 LYS N N 15 125.849 0.600 . 1 . . . A 57 LYS N . 25067 1 700 . 1 1 58 58 ILE H H 1 9.204 0.030 . 1 . . . A 58 ILE H . 25067 1 701 . 1 1 58 58 ILE HA H 1 5.167 0.030 . 1 . . . A 58 ILE HA . 25067 1 702 . 1 1 58 58 ILE HB H 1 1.887 0.030 . 1 . . . A 58 ILE HB . 25067 1 703 . 1 1 58 58 ILE HG12 H 1 1.593 0.030 . 2 . . . A 58 ILE HG12 . 25067 1 704 . 1 1 58 58 ILE HG13 H 1 1.100 0.030 . 2 . . . A 58 ILE HG13 . 25067 1 705 . 1 1 58 58 ILE HG21 H 1 1.152 0.030 . 1 . . . A 58 ILE HG21 . 25067 1 706 . 1 1 58 58 ILE HG22 H 1 1.152 0.030 . 1 . . . A 58 ILE HG22 . 25067 1 707 . 1 1 58 58 ILE HG23 H 1 1.152 0.030 . 1 . . . A 58 ILE HG23 . 25067 1 708 . 1 1 58 58 ILE HD11 H 1 0.881 0.030 . 1 . . . A 58 ILE HD11 . 25067 1 709 . 1 1 58 58 ILE HD12 H 1 0.881 0.030 . 1 . . . A 58 ILE HD12 . 25067 1 710 . 1 1 58 58 ILE HD13 H 1 0.881 0.030 . 1 . . . A 58 ILE HD13 . 25067 1 711 . 1 1 58 58 ILE C C 13 174.981 0.600 . 1 . . . A 58 ILE C . 25067 1 712 . 1 1 58 58 ILE CA C 13 60.596 0.600 . 1 . . . A 58 ILE CA . 25067 1 713 . 1 1 58 58 ILE CB C 13 40.859 0.600 . 1 . . . A 58 ILE CB . 25067 1 714 . 1 1 58 58 ILE CG1 C 13 28.450 0.600 . 1 . . . A 58 ILE CG1 . 25067 1 715 . 1 1 58 58 ILE CG2 C 13 18.721 0.600 . 1 . . . A 58 ILE CG2 . 25067 1 716 . 1 1 58 58 ILE CD1 C 13 15.387 0.600 . 1 . . . A 58 ILE CD1 . 25067 1 717 . 1 1 58 58 ILE N N 15 125.213 0.600 . 1 . . . A 58 ILE N . 25067 1 718 . 1 1 59 59 ARG H H 1 9.467 0.030 . 1 . . . A 59 ARG H . 25067 1 719 . 1 1 59 59 ARG HA H 1 6.101 0.030 . 1 . . . A 59 ARG HA . 25067 1 720 . 1 1 59 59 ARG HB2 H 1 1.809 0.030 . 1 . . . A 59 ARG HB2 . 25067 1 721 . 1 1 59 59 ARG HB3 H 1 1.809 0.030 . 1 . . . A 59 ARG HB3 . 25067 1 722 . 1 1 59 59 ARG HG2 H 1 1.654 0.030 . 2 . . . A 59 ARG HG2 . 25067 1 723 . 1 1 59 59 ARG HG3 H 1 1.565 0.030 . 2 . . . A 59 ARG HG3 . 25067 1 724 . 1 1 59 59 ARG HD2 H 1 3.167 0.030 . 1 . . . A 59 ARG HD2 . 25067 1 725 . 1 1 59 59 ARG HD3 H 1 3.167 0.030 . 1 . . . A 59 ARG HD3 . 25067 1 726 . 1 1 59 59 ARG C C 13 175.144 0.600 . 1 . . . A 59 ARG C . 25067 1 727 . 1 1 59 59 ARG CA C 13 54.091 0.600 . 1 . . . A 59 ARG CA . 25067 1 728 . 1 1 59 59 ARG CB C 13 36.035 0.600 . 1 . . . A 59 ARG CB . 25067 1 729 . 1 1 59 59 ARG CG C 13 27.312 0.600 . 1 . . . A 59 ARG CG . 25067 1 730 . 1 1 59 59 ARG CD C 13 43.624 0.600 . 1 . . . A 59 ARG CD . 25067 1 731 . 1 1 59 59 ARG N N 15 124.047 0.600 . 1 . . . A 59 ARG N . 25067 1 732 . 1 1 60 60 PHE H H 1 8.451 0.030 . 1 . . . A 60 PHE H . 25067 1 733 . 1 1 60 60 PHE HA H 1 5.204 0.030 . 1 . . . A 60 PHE HA . 25067 1 734 . 1 1 60 60 PHE HB2 H 1 3.415 0.030 . 1 . . . A 60 PHE HB2 . 25067 1 735 . 1 1 60 60 PHE HB3 H 1 3.200 0.030 . 1 . . . A 60 PHE HB3 . 25067 1 736 . 1 1 60 60 PHE HD1 H 1 7.001 0.030 . 1 . . . A 60 PHE HD1 . 25067 1 737 . 1 1 60 60 PHE HD2 H 1 7.001 0.030 . 1 . . . A 60 PHE HD2 . 25067 1 738 . 1 1 60 60 PHE HE1 H 1 6.746 0.030 . 1 . . . A 60 PHE HE1 . 25067 1 739 . 1 1 60 60 PHE HE2 H 1 6.746 0.030 . 1 . . . A 60 PHE HE2 . 25067 1 740 . 1 1 60 60 PHE C C 13 173.110 0.600 . 1 . . . A 60 PHE C . 25067 1 741 . 1 1 60 60 PHE CA C 13 56.931 0.600 . 1 . . . A 60 PHE CA . 25067 1 742 . 1 1 60 60 PHE CB C 13 42.380 0.600 . 1 . . . A 60 PHE CB . 25067 1 743 . 1 1 60 60 PHE CD1 C 13 132.599 0.600 . 1 . . . A 60 PHE CD1 . 25067 1 744 . 1 1 60 60 PHE CD2 C 13 132.599 0.600 . 1 . . . A 60 PHE CD2 . 25067 1 745 . 1 1 60 60 PHE CE1 C 13 129.323 0.600 . 1 . . . A 60 PHE CE1 . 25067 1 746 . 1 1 60 60 PHE CE2 C 13 129.323 0.600 . 1 . . . A 60 PHE CE2 . 25067 1 747 . 1 1 60 60 PHE N N 15 113.223 0.600 . 1 . . . A 60 PHE N . 25067 1 748 . 1 1 61 61 GLU H H 1 9.572 0.030 . 1 . . . A 61 GLU H . 25067 1 749 . 1 1 61 61 GLU HA H 1 4.644 0.030 . 1 . . . A 61 GLU HA . 25067 1 750 . 1 1 61 61 GLU HB2 H 1 2.301 0.030 . 2 . . . A 61 GLU HB2 . 25067 1 751 . 1 1 61 61 GLU HB3 H 1 2.145 0.030 . 2 . . . A 61 GLU HB3 . 25067 1 752 . 1 1 61 61 GLU HG2 H 1 2.459 0.030 . 2 . . . A 61 GLU HG2 . 25067 1 753 . 1 1 61 61 GLU HG3 H 1 2.412 0.030 . 2 . . . A 61 GLU HG3 . 25067 1 754 . 1 1 61 61 GLU C C 13 177.147 0.600 . 1 . . . A 61 GLU C . 25067 1 755 . 1 1 61 61 GLU CA C 13 55.965 0.600 . 1 . . . A 61 GLU CA . 25067 1 756 . 1 1 61 61 GLU CB C 13 30.698 0.600 . 1 . . . A 61 GLU CB . 25067 1 757 . 1 1 61 61 GLU CG C 13 36.184 0.600 . 1 . . . A 61 GLU CG . 25067 1 758 . 1 1 61 61 GLU N N 15 121.333 0.600 . 1 . . . A 61 GLU N . 25067 1 759 . 1 1 62 62 LYS H H 1 8.160 0.030 . 1 . . . A 62 LYS H . 25067 1 760 . 1 1 62 62 LYS HA H 1 4.343 0.030 . 1 . . . A 62 LYS HA . 25067 1 761 . 1 1 62 62 LYS HB2 H 1 1.981 0.030 . 2 . . . A 62 LYS HB2 . 25067 1 762 . 1 1 62 62 LYS HB3 H 1 1.869 0.030 . 2 . . . A 62 LYS HB3 . 25067 1 763 . 1 1 62 62 LYS HG2 H 1 1.516 0.030 . 2 . . . A 62 LYS HG2 . 25067 1 764 . 1 1 62 62 LYS HG3 H 1 1.354 0.030 . 2 . . . A 62 LYS HG3 . 25067 1 765 . 1 1 62 62 LYS HD2 H 1 1.776 0.030 . 1 . . . A 62 LYS HD2 . 25067 1 766 . 1 1 62 62 LYS HD3 H 1 1.776 0.030 . 1 . . . A 62 LYS HD3 . 25067 1 767 . 1 1 62 62 LYS HE2 H 1 2.927 0.030 . 1 . . . A 62 LYS HE2 . 25067 1 768 . 1 1 62 62 LYS HE3 H 1 2.927 0.030 . 1 . . . A 62 LYS HE3 . 25067 1 769 . 1 1 62 62 LYS C C 13 177.398 0.600 . 1 . . . A 62 LYS C . 25067 1 770 . 1 1 62 62 LYS CA C 13 58.185 0.600 . 1 . . . A 62 LYS CA . 25067 1 771 . 1 1 62 62 LYS CB C 13 32.937 0.600 . 1 . . . A 62 LYS CB . 25067 1 772 . 1 1 62 62 LYS CG C 13 25.192 0.600 . 1 . . . A 62 LYS CG . 25067 1 773 . 1 1 62 62 LYS CD C 13 29.223 0.600 . 1 . . . A 62 LYS CD . 25067 1 774 . 1 1 62 62 LYS CE C 13 42.025 0.600 . 1 . . . A 62 LYS CE . 25067 1 775 . 1 1 62 62 LYS N N 15 121.311 0.600 . 1 . . . A 62 LYS N . 25067 1 776 . 1 1 63 63 LYS H H 1 8.028 0.030 . 1 . . . A 63 LYS H . 25067 1 777 . 1 1 63 63 LYS HA H 1 4.118 0.030 . 1 . . . A 63 LYS HA . 25067 1 778 . 1 1 63 63 LYS HB2 H 1 1.925 0.030 . 1 . . . A 63 LYS HB2 . 25067 1 779 . 1 1 63 63 LYS HB3 H 1 1.925 0.030 . 1 . . . A 63 LYS HB3 . 25067 1 780 . 1 1 63 63 LYS HG2 H 1 1.494 0.030 . 1 . . . A 63 LYS HG2 . 25067 1 781 . 1 1 63 63 LYS HG3 H 1 1.494 0.030 . 1 . . . A 63 LYS HG3 . 25067 1 782 . 1 1 63 63 LYS HD2 H 1 1.734 0.030 . 1 . . . A 63 LYS HD2 . 25067 1 783 . 1 1 63 63 LYS HD3 H 1 1.734 0.030 . 1 . . . A 63 LYS HD3 . 25067 1 784 . 1 1 63 63 LYS HE2 H 1 3.034 0.030 . 1 . . . A 63 LYS HE2 . 25067 1 785 . 1 1 63 63 LYS HE3 H 1 3.034 0.030 . 1 . . . A 63 LYS HE3 . 25067 1 786 . 1 1 63 63 LYS C C 13 177.015 0.600 . 1 . . . A 63 LYS C . 25067 1 787 . 1 1 63 63 LYS CA C 13 58.693 0.600 . 1 . . . A 63 LYS CA . 25067 1 788 . 1 1 63 63 LYS CB C 13 31.677 0.600 . 1 . . . A 63 LYS CB . 25067 1 789 . 1 1 63 63 LYS CG C 13 24.838 0.600 . 1 . . . A 63 LYS CG . 25067 1 790 . 1 1 63 63 LYS CD C 13 29.247 0.600 . 1 . . . A 63 LYS CD . 25067 1 791 . 1 1 63 63 LYS CE C 13 41.941 0.600 . 1 . . . A 63 LYS CE . 25067 1 792 . 1 1 63 63 LYS N N 15 120.742 0.600 . 1 . . . A 63 LYS N . 25067 1 793 . 1 1 64 64 GLY HA2 H 1 4.379 0.030 . 2 . . . A 64 GLY HA2 . 25067 1 794 . 1 1 64 64 GLY HA3 H 1 3.838 0.030 . 2 . . . A 64 GLY HA3 . 25067 1 795 . 1 1 64 64 GLY C C 13 174.039 0.600 . 1 . . . A 64 GLY C . 25067 1 796 . 1 1 64 64 GLY CA C 13 44.863 0.600 . 1 . . . A 64 GLY CA . 25067 1 797 . 1 1 65 65 LEU H H 1 7.836 0.030 . 1 . . . A 65 LEU H . 25067 1 798 . 1 1 65 65 LEU HA H 1 4.624 0.030 . 1 . . . A 65 LEU HA . 25067 1 799 . 1 1 65 65 LEU HB2 H 1 2.017 0.030 . 2 . . . A 65 LEU HB2 . 25067 1 800 . 1 1 65 65 LEU HB3 H 1 1.487 0.030 . 2 . . . A 65 LEU HB3 . 25067 1 801 . 1 1 65 65 LEU HD11 H 1 0.965 0.030 . 2 . . . A 65 LEU HD11 . 25067 1 802 . 1 1 65 65 LEU HD12 H 1 0.965 0.030 . 2 . . . A 65 LEU HD12 . 25067 1 803 . 1 1 65 65 LEU HD13 H 1 0.965 0.030 . 2 . . . A 65 LEU HD13 . 25067 1 804 . 1 1 65 65 LEU HD21 H 1 0.861 0.030 . 2 . . . A 65 LEU HD21 . 25067 1 805 . 1 1 65 65 LEU HD22 H 1 0.861 0.030 . 2 . . . A 65 LEU HD22 . 25067 1 806 . 1 1 65 65 LEU HD23 H 1 0.861 0.030 . 2 . . . A 65 LEU HD23 . 25067 1 807 . 1 1 65 65 LEU C C 13 177.493 0.600 . 1 . . . A 65 LEU C . 25067 1 808 . 1 1 65 65 LEU CA C 13 54.128 0.600 . 1 . . . A 65 LEU CA . 25067 1 809 . 1 1 65 65 LEU CB C 13 43.686 0.600 . 1 . . . A 65 LEU CB . 25067 1 810 . 1 1 65 65 LEU CG C 13 26.555 0.600 . 1 . . . A 65 LEU CG . 25067 1 811 . 1 1 65 65 LEU CD1 C 13 26.378 0.600 . 1 . . . A 65 LEU CD1 . 25067 1 812 . 1 1 65 65 LEU CD2 C 13 23.162 0.600 . 1 . . . A 65 LEU CD2 . 25067 1 813 . 1 1 65 65 LEU N N 15 119.849 0.600 . 1 . . . A 65 LEU N . 25067 1 814 . 1 1 66 66 ASP H H 1 8.226 0.030 . 1 . . . A 66 ASP H . 25067 1 815 . 1 1 66 66 ASP HA H 1 4.672 0.030 . 1 . . . A 66 ASP HA . 25067 1 816 . 1 1 66 66 ASP HB2 H 1 3.159 0.030 . 2 . . . A 66 ASP HB2 . 25067 1 817 . 1 1 66 66 ASP HB3 H 1 2.802 0.030 . 2 . . . A 66 ASP HB3 . 25067 1 818 . 1 1 66 66 ASP C C 13 175.471 0.600 . 1 . . . A 66 ASP C . 25067 1 819 . 1 1 66 66 ASP CA C 13 52.820 0.600 . 1 . . . A 66 ASP CA . 25067 1 820 . 1 1 66 66 ASP CB C 13 41.017 0.600 . 1 . . . A 66 ASP CB . 25067 1 821 . 1 1 66 66 ASP N N 15 123.296 0.600 . 1 . . . A 66 ASP N . 25067 1 822 . 1 1 67 67 ASP H H 1 8.529 0.030 . 1 . . . A 67 ASP H . 25067 1 823 . 1 1 67 67 ASP HA H 1 4.243 0.030 . 1 . . . A 67 ASP HA . 25067 1 824 . 1 1 67 67 ASP HB2 H 1 2.697 0.030 . 2 . . . A 67 ASP HB2 . 25067 1 825 . 1 1 67 67 ASP HB3 H 1 2.664 0.030 . 2 . . . A 67 ASP HB3 . 25067 1 826 . 1 1 67 67 ASP C C 13 178.121 0.600 . 1 . . . A 67 ASP C . 25067 1 827 . 1 1 67 67 ASP CA C 13 58.473 0.600 . 1 . . . A 67 ASP CA . 25067 1 828 . 1 1 67 67 ASP CB C 13 41.067 0.600 . 1 . . . A 67 ASP CB . 25067 1 829 . 1 1 67 67 ASP N N 15 118.859 0.600 . 1 . . . A 67 ASP N . 25067 1 830 . 1 1 68 68 ASP H H 1 8.244 0.030 . 1 . . . A 68 ASP H . 25067 1 831 . 1 1 68 68 ASP HA H 1 4.340 0.030 . 1 . . . A 68 ASP HA . 25067 1 832 . 1 1 68 68 ASP HB2 H 1 2.711 0.030 . 2 . . . A 68 ASP HB2 . 25067 1 833 . 1 1 68 68 ASP HB3 H 1 2.592 0.030 . 2 . . . A 68 ASP HB3 . 25067 1 834 . 1 1 68 68 ASP C C 13 177.807 0.600 . 1 . . . A 68 ASP C . 25067 1 835 . 1 1 68 68 ASP CA C 13 57.481 0.600 . 1 . . . A 68 ASP CA . 25067 1 836 . 1 1 68 68 ASP CB C 13 41.459 0.600 . 1 . . . A 68 ASP CB . 25067 1 837 . 1 1 68 68 ASP N N 15 119.187 0.600 . 1 . . . A 68 ASP N . 25067 1 838 . 1 1 69 69 ALA H H 1 8.191 0.030 . 1 . . . A 69 ALA H . 25067 1 839 . 1 1 69 69 ALA HA H 1 3.628 0.030 . 1 . . . A 69 ALA HA . 25067 1 840 . 1 1 69 69 ALA HB1 H 1 1.307 0.030 . 1 . . . A 69 ALA HB1 . 25067 1 841 . 1 1 69 69 ALA HB2 H 1 1.307 0.030 . 1 . . . A 69 ALA HB2 . 25067 1 842 . 1 1 69 69 ALA HB3 H 1 1.307 0.030 . 1 . . . A 69 ALA HB3 . 25067 1 843 . 1 1 69 69 ALA C C 13 179.452 0.600 . 1 . . . A 69 ALA C . 25067 1 844 . 1 1 69 69 ALA CA C 13 55.016 0.600 . 1 . . . A 69 ALA CA . 25067 1 845 . 1 1 69 69 ALA CB C 13 19.163 0.600 . 1 . . . A 69 ALA CB . 25067 1 846 . 1 1 69 69 ALA N N 15 122.537 0.600 . 1 . . . A 69 ALA N . 25067 1 847 . 1 1 70 70 ARG H H 1 8.419 0.030 . 1 . . . A 70 ARG H . 25067 1 848 . 1 1 70 70 ARG HA H 1 3.723 0.030 . 1 . . . A 70 ARG HA . 25067 1 849 . 1 1 70 70 ARG HB2 H 1 2.037 0.030 . 2 . . . A 70 ARG HB2 . 25067 1 850 . 1 1 70 70 ARG HB3 H 1 1.884 0.030 . 2 . . . A 70 ARG HB3 . 25067 1 851 . 1 1 70 70 ARG HG2 H 1 1.501 0.030 . 1 . . . A 70 ARG HG2 . 25067 1 852 . 1 1 70 70 ARG HG3 H 1 1.501 0.030 . 1 . . . A 70 ARG HG3 . 25067 1 853 . 1 1 70 70 ARG HD2 H 1 3.396 0.030 . 2 . . . A 70 ARG HD2 . 25067 1 854 . 1 1 70 70 ARG HD3 H 1 3.248 0.030 . 2 . . . A 70 ARG HD3 . 25067 1 855 . 1 1 70 70 ARG C C 13 178.183 0.600 . 1 . . . A 70 ARG C . 25067 1 856 . 1 1 70 70 ARG CA C 13 60.348 0.600 . 1 . . . A 70 ARG CA . 25067 1 857 . 1 1 70 70 ARG CB C 13 30.612 0.600 . 1 . . . A 70 ARG CB . 25067 1 858 . 1 1 70 70 ARG CG C 13 29.840 0.600 . 1 . . . A 70 ARG CG . 25067 1 859 . 1 1 70 70 ARG CD C 13 43.696 0.600 . 1 . . . A 70 ARG CD . 25067 1 860 . 1 1 70 70 ARG N N 15 115.799 0.600 . 1 . . . A 70 ARG N . 25067 1 861 . 1 1 71 71 LYS H H 1 7.781 0.030 . 1 . . . A 71 LYS H . 25067 1 862 . 1 1 71 71 LYS HA H 1 3.837 0.030 . 1 . . . A 71 LYS HA . 25067 1 863 . 1 1 71 71 LYS HB2 H 1 1.890 0.030 . 1 . . . A 71 LYS HB2 . 25067 1 864 . 1 1 71 71 LYS HB3 H 1 1.890 0.030 . 1 . . . A 71 LYS HB3 . 25067 1 865 . 1 1 71 71 LYS HG2 H 1 1.666 0.030 . 2 . . . A 71 LYS HG2 . 25067 1 866 . 1 1 71 71 LYS HG3 H 1 1.429 0.030 . 2 . . . A 71 LYS HG3 . 25067 1 867 . 1 1 71 71 LYS HD2 H 1 1.652 0.030 . 1 . . . A 71 LYS HD2 . 25067 1 868 . 1 1 71 71 LYS HD3 H 1 1.652 0.030 . 1 . . . A 71 LYS HD3 . 25067 1 869 . 1 1 71 71 LYS HE2 H 1 2.979 0.030 . 1 . . . A 71 LYS HE2 . 25067 1 870 . 1 1 71 71 LYS HE3 H 1 2.979 0.030 . 1 . . . A 71 LYS HE3 . 25067 1 871 . 1 1 71 71 LYS C C 13 179.891 0.600 . 1 . . . A 71 LYS C . 25067 1 872 . 1 1 71 71 LYS CA C 13 59.650 0.600 . 1 . . . A 71 LYS CA . 25067 1 873 . 1 1 71 71 LYS CB C 13 32.419 0.600 . 1 . . . A 71 LYS CB . 25067 1 874 . 1 1 71 71 LYS CG C 13 25.487 0.600 . 1 . . . A 71 LYS CG . 25067 1 875 . 1 1 71 71 LYS CD C 13 29.347 0.600 . 1 . . . A 71 LYS CD . 25067 1 876 . 1 1 71 71 LYS CE C 13 41.922 0.600 . 1 . . . A 71 LYS CE . 25067 1 877 . 1 1 71 71 LYS N N 15 118.170 0.600 . 1 . . . A 71 LYS N . 25067 1 878 . 1 1 72 72 LYS H H 1 7.835 0.030 . 1 . . . A 72 LYS H . 25067 1 879 . 1 1 72 72 LYS HA H 1 3.736 0.030 . 1 . . . A 72 LYS HA . 25067 1 880 . 1 1 72 72 LYS HB2 H 1 1.951 0.030 . 1 . . . A 72 LYS HB2 . 25067 1 881 . 1 1 72 72 LYS HB3 H 1 1.951 0.030 . 1 . . . A 72 LYS HB3 . 25067 1 882 . 1 1 72 72 LYS HG2 H 1 1.555 0.030 . 2 . . . A 72 LYS HG2 . 25067 1 883 . 1 1 72 72 LYS HG3 H 1 1.385 0.030 . 2 . . . A 72 LYS HG3 . 25067 1 884 . 1 1 72 72 LYS HD2 H 1 1.766 0.030 . 1 . . . A 72 LYS HD2 . 25067 1 885 . 1 1 72 72 LYS HD3 H 1 1.766 0.030 . 1 . . . A 72 LYS HD3 . 25067 1 886 . 1 1 72 72 LYS HE2 H 1 3.023 0.030 . 1 . . . A 72 LYS HE2 . 25067 1 887 . 1 1 72 72 LYS HE3 H 1 3.023 0.030 . 1 . . . A 72 LYS HE3 . 25067 1 888 . 1 1 72 72 LYS C C 13 178.874 0.600 . 1 . . . A 72 LYS C . 25067 1 889 . 1 1 72 72 LYS CA C 13 59.573 0.600 . 1 . . . A 72 LYS CA . 25067 1 890 . 1 1 72 72 LYS CB C 13 32.393 0.600 . 1 . . . A 72 LYS CB . 25067 1 891 . 1 1 72 72 LYS CG C 13 25.136 0.600 . 1 . . . A 72 LYS CG . 25067 1 892 . 1 1 72 72 LYS CD C 13 29.375 0.600 . 1 . . . A 72 LYS CD . 25067 1 893 . 1 1 72 72 LYS CE C 13 41.951 0.600 . 1 . . . A 72 LYS CE . 25067 1 894 . 1 1 72 72 LYS N N 15 119.730 0.600 . 1 . . . A 72 LYS N . 25067 1 895 . 1 1 73 73 ALA H H 1 8.343 0.030 . 1 . . . A 73 ALA H . 25067 1 896 . 1 1 73 73 ALA HA H 1 3.755 0.030 . 1 . . . A 73 ALA HA . 25067 1 897 . 1 1 73 73 ALA HB1 H 1 0.482 0.030 . 1 . . . A 73 ALA HB1 . 25067 1 898 . 1 1 73 73 ALA HB2 H 1 0.482 0.030 . 1 . . . A 73 ALA HB2 . 25067 1 899 . 1 1 73 73 ALA HB3 H 1 0.482 0.030 . 1 . . . A 73 ALA HB3 . 25067 1 900 . 1 1 73 73 ALA C C 13 178.246 0.600 . 1 . . . A 73 ALA C . 25067 1 901 . 1 1 73 73 ALA CA C 13 55.350 0.600 . 1 . . . A 73 ALA CA . 25067 1 902 . 1 1 73 73 ALA CB C 13 17.646 0.600 . 1 . . . A 73 ALA CB . 25067 1 903 . 1 1 73 73 ALA N N 15 123.068 0.600 . 1 . . . A 73 ALA N . 25067 1 904 . 1 1 74 74 LYS H H 1 7.934 0.030 . 1 . . . A 74 LYS H . 25067 1 905 . 1 1 74 74 LYS HA H 1 3.644 0.030 . 1 . . . A 74 LYS HA . 25067 1 906 . 1 1 74 74 LYS HB2 H 1 1.572 0.030 . 1 . . . A 74 LYS HB2 . 25067 1 907 . 1 1 74 74 LYS HB3 H 1 1.572 0.030 . 1 . . . A 74 LYS HB3 . 25067 1 908 . 1 1 74 74 LYS HG2 H 1 0.192 0.030 . 1 . . . A 74 LYS HG2 . 25067 1 909 . 1 1 74 74 LYS HG3 H 1 0.192 0.030 . 1 . . . A 74 LYS HG3 . 25067 1 910 . 1 1 74 74 LYS HD2 H 1 1.445 0.030 . 1 . . . A 74 LYS HD2 . 25067 1 911 . 1 1 74 74 LYS HD3 H 1 1.445 0.030 . 1 . . . A 74 LYS HD3 . 25067 1 912 . 1 1 74 74 LYS HE2 H 1 2.722 0.030 . 1 . . . A 74 LYS HE2 . 25067 1 913 . 1 1 74 74 LYS HE3 H 1 2.722 0.030 . 1 . . . A 74 LYS HE3 . 25067 1 914 . 1 1 74 74 LYS C C 13 177.694 0.600 . 1 . . . A 74 LYS C . 25067 1 915 . 1 1 74 74 LYS CA C 13 60.321 0.600 . 1 . . . A 74 LYS CA . 25067 1 916 . 1 1 74 74 LYS CB C 13 32.675 0.600 . 1 . . . A 74 LYS CB . 25067 1 917 . 1 1 74 74 LYS CG C 13 24.694 0.600 . 1 . . . A 74 LYS CG . 25067 1 918 . 1 1 74 74 LYS CD C 13 29.889 0.600 . 1 . . . A 74 LYS CD . 25067 1 919 . 1 1 74 74 LYS CE C 13 41.628 0.600 . 1 . . . A 74 LYS CE . 25067 1 920 . 1 1 74 74 LYS N N 15 117.936 0.600 . 1 . . . A 74 LYS N . 25067 1 921 . 1 1 75 75 LYS H H 1 7.371 0.030 . 1 . . . A 75 LYS H . 25067 1 922 . 1 1 75 75 LYS HA H 1 3.979 0.030 . 1 . . . A 75 LYS HA . 25067 1 923 . 1 1 75 75 LYS HB2 H 1 1.880 0.030 . 1 . . . A 75 LYS HB2 . 25067 1 924 . 1 1 75 75 LYS HB3 H 1 1.880 0.030 . 1 . . . A 75 LYS HB3 . 25067 1 925 . 1 1 75 75 LYS HG2 H 1 1.343 0.030 . 1 . . . A 75 LYS HG2 . 25067 1 926 . 1 1 75 75 LYS HG3 H 1 1.343 0.030 . 1 . . . A 75 LYS HG3 . 25067 1 927 . 1 1 75 75 LYS HE2 H 1 3.022 0.030 . 1 . . . A 75 LYS HE2 . 25067 1 928 . 1 1 75 75 LYS HE3 H 1 3.022 0.030 . 1 . . . A 75 LYS HE3 . 25067 1 929 . 1 1 75 75 LYS C C 13 178.884 0.600 . 1 . . . A 75 LYS C . 25067 1 930 . 1 1 75 75 LYS CA C 13 59.409 0.600 . 1 . . . A 75 LYS CA . 25067 1 931 . 1 1 75 75 LYS CB C 13 32.497 0.600 . 1 . . . A 75 LYS CB . 25067 1 932 . 1 1 75 75 LYS CG C 13 24.857 0.600 . 1 . . . A 75 LYS CG . 25067 1 933 . 1 1 75 75 LYS CE C 13 41.969 0.600 . 1 . . . A 75 LYS CE . 25067 1 934 . 1 1 75 75 LYS N N 15 116.863 0.600 . 1 . . . A 75 LYS N . 25067 1 935 . 1 1 76 76 TRP H H 1 8.156 0.030 . 1 . . . A 76 TRP H . 25067 1 936 . 1 1 76 76 TRP HA H 1 4.197 0.030 . 1 . . . A 76 TRP HA . 25067 1 937 . 1 1 76 76 TRP HB2 H 1 3.377 0.030 . 1 . . . A 76 TRP HB2 . 25067 1 938 . 1 1 76 76 TRP HB3 H 1 3.377 0.030 . 1 . . . A 76 TRP HB3 . 25067 1 939 . 1 1 76 76 TRP HD1 H 1 7.384 0.030 . 1 . . . A 76 TRP HD1 . 25067 1 940 . 1 1 76 76 TRP HE1 H 1 9.616 0.030 . 1 . . . A 76 TRP HE1 . 25067 1 941 . 1 1 76 76 TRP HE3 H 1 6.787 0.030 . 1 . . . A 76 TRP HE3 . 25067 1 942 . 1 1 76 76 TRP HZ2 H 1 6.977 0.030 . 1 . . . A 76 TRP HZ2 . 25067 1 943 . 1 1 76 76 TRP HZ3 H 1 7.227 0.030 . 1 . . . A 76 TRP HZ3 . 25067 1 944 . 1 1 76 76 TRP HH2 H 1 6.713 0.030 . 1 . . . A 76 TRP HH2 . 25067 1 945 . 1 1 76 76 TRP C C 13 177.618 0.600 . 1 . . . A 76 TRP C . 25067 1 946 . 1 1 76 76 TRP CA C 13 61.726 0.600 . 1 . . . A 76 TRP CA . 25067 1 947 . 1 1 76 76 TRP CB C 13 29.993 0.600 . 1 . . . A 76 TRP CB . 25067 1 948 . 1 1 76 76 TRP CD1 C 13 126.959 0.600 . 1 . . . A 76 TRP CD1 . 25067 1 949 . 1 1 76 76 TRP CE3 C 13 121.092 0.600 . 1 . . . A 76 TRP CE3 . 25067 1 950 . 1 1 76 76 TRP CZ2 C 13 113.194 0.600 . 1 . . . A 76 TRP CZ2 . 25067 1 951 . 1 1 76 76 TRP CZ3 C 13 120.376 0.600 . 1 . . . A 76 TRP CZ3 . 25067 1 952 . 1 1 76 76 TRP CH2 C 13 122.620 0.600 . 1 . . . A 76 TRP CH2 . 25067 1 953 . 1 1 76 76 TRP N N 15 121.108 0.600 . 1 . . . A 76 TRP N . 25067 1 954 . 1 1 76 76 TRP NE1 N 15 127.765 0.600 . 1 . . . A 76 TRP NE1 . 25067 1 955 . 1 1 77 77 ALA H H 1 8.883 0.030 . 1 . . . A 77 ALA H . 25067 1 956 . 1 1 77 77 ALA HA H 1 4.099 0.030 . 1 . . . A 77 ALA HA . 25067 1 957 . 1 1 77 77 ALA HB1 H 1 1.852 0.030 . 1 . . . A 77 ALA HB1 . 25067 1 958 . 1 1 77 77 ALA HB2 H 1 1.852 0.030 . 1 . . . A 77 ALA HB2 . 25067 1 959 . 1 1 77 77 ALA HB3 H 1 1.852 0.030 . 1 . . . A 77 ALA HB3 . 25067 1 960 . 1 1 77 77 ALA C C 13 179.125 0.600 . 1 . . . A 77 ALA C . 25067 1 961 . 1 1 77 77 ALA CA C 13 55.648 0.600 . 1 . . . A 77 ALA CA . 25067 1 962 . 1 1 77 77 ALA CB C 13 18.319 0.600 . 1 . . . A 77 ALA CB . 25067 1 963 . 1 1 77 77 ALA N N 15 120.099 0.600 . 1 . . . A 77 ALA N . 25067 1 964 . 1 1 78 78 LEU H H 1 8.238 0.030 . 1 . . . A 78 LEU H . 25067 1 965 . 1 1 78 78 LEU HA H 1 4.131 0.030 . 1 . . . A 78 LEU HA . 25067 1 966 . 1 1 78 78 LEU HB2 H 1 1.994 0.030 . 2 . . . A 78 LEU HB2 . 25067 1 967 . 1 1 78 78 LEU HB3 H 1 1.575 0.030 . 2 . . . A 78 LEU HB3 . 25067 1 968 . 1 1 78 78 LEU HG H 1 1.989 0.030 . 1 . . . A 78 LEU HG . 25067 1 969 . 1 1 78 78 LEU HD11 H 1 1.009 0.030 . 2 . . . A 78 LEU HD11 . 25067 1 970 . 1 1 78 78 LEU HD12 H 1 1.009 0.030 . 2 . . . A 78 LEU HD12 . 25067 1 971 . 1 1 78 78 LEU HD13 H 1 1.009 0.030 . 2 . . . A 78 LEU HD13 . 25067 1 972 . 1 1 78 78 LEU HD21 H 1 1.014 0.030 . 2 . . . A 78 LEU HD21 . 25067 1 973 . 1 1 78 78 LEU HD22 H 1 1.014 0.030 . 2 . . . A 78 LEU HD22 . 25067 1 974 . 1 1 78 78 LEU HD23 H 1 1.014 0.030 . 2 . . . A 78 LEU HD23 . 25067 1 975 . 1 1 78 78 LEU C C 13 179.828 0.600 . 1 . . . A 78 LEU C . 25067 1 976 . 1 1 78 78 LEU CA C 13 57.843 0.600 . 1 . . . A 78 LEU CA . 25067 1 977 . 1 1 78 78 LEU CB C 13 41.698 0.600 . 1 . . . A 78 LEU CB . 25067 1 978 . 1 1 78 78 LEU CG C 13 27.227 0.600 . 1 . . . A 78 LEU CG . 25067 1 979 . 1 1 78 78 LEU CD1 C 13 25.201 0.600 . 1 . . . A 78 LEU CD1 . 25067 1 980 . 1 1 78 78 LEU CD2 C 13 23.090 0.600 . 1 . . . A 78 LEU CD2 . 25067 1 981 . 1 1 78 78 LEU N N 15 116.584 0.600 . 1 . . . A 78 LEU N . 25067 1 982 . 1 1 79 79 GLU H H 1 8.296 0.030 . 1 . . . A 79 GLU H . 25067 1 983 . 1 1 79 79 GLU HA H 1 4.103 0.030 . 1 . . . A 79 GLU HA . 25067 1 984 . 1 1 79 79 GLU HB2 H 1 1.928 0.030 . 1 . . . A 79 GLU HB2 . 25067 1 985 . 1 1 79 79 GLU HB3 H 1 1.928 0.030 . 1 . . . A 79 GLU HB3 . 25067 1 986 . 1 1 79 79 GLU HG2 H 1 2.422 0.030 . 2 . . . A 79 GLU HG2 . 25067 1 987 . 1 1 79 79 GLU HG3 H 1 2.195 0.030 . 2 . . . A 79 GLU HG3 . 25067 1 988 . 1 1 79 79 GLU C C 13 180.004 0.600 . 1 . . . A 79 GLU C . 25067 1 989 . 1 1 79 79 GLU CA C 13 59.370 0.600 . 1 . . . A 79 GLU CA . 25067 1 990 . 1 1 79 79 GLU CB C 13 29.122 0.600 . 1 . . . A 79 GLU CB . 25067 1 991 . 1 1 79 79 GLU CG C 13 36.813 0.600 . 1 . . . A 79 GLU CG . 25067 1 992 . 1 1 79 79 GLU N N 15 121.435 0.600 . 1 . . . A 79 GLU N . 25067 1 993 . 1 1 80 80 VAL H H 1 8.603 0.030 . 1 . . . A 80 VAL H . 25067 1 994 . 1 1 80 80 VAL HA H 1 3.355 0.030 . 1 . . . A 80 VAL HA . 25067 1 995 . 1 1 80 80 VAL HB H 1 1.660 0.030 . 1 . . . A 80 VAL HB . 25067 1 996 . 1 1 80 80 VAL HG11 H 1 0.801 0.030 . 2 . . . A 80 VAL HG11 . 25067 1 997 . 1 1 80 80 VAL HG12 H 1 0.801 0.030 . 2 . . . A 80 VAL HG12 . 25067 1 998 . 1 1 80 80 VAL HG13 H 1 0.801 0.030 . 2 . . . A 80 VAL HG13 . 25067 1 999 . 1 1 80 80 VAL HG21 H 1 0.371 0.030 . 2 . . . A 80 VAL HG21 . 25067 1 1000 . 1 1 80 80 VAL HG22 H 1 0.371 0.030 . 2 . . . A 80 VAL HG22 . 25067 1 1001 . 1 1 80 80 VAL HG23 H 1 0.371 0.030 . 2 . . . A 80 VAL HG23 . 25067 1 1002 . 1 1 80 80 VAL C C 13 177.044 0.600 . 1 . . . A 80 VAL C . 25067 1 1003 . 1 1 80 80 VAL CA C 13 66.469 0.600 . 1 . . . A 80 VAL CA . 25067 1 1004 . 1 1 80 80 VAL CB C 13 30.698 0.600 . 1 . . . A 80 VAL CB . 25067 1 1005 . 1 1 80 80 VAL CG1 C 13 21.703 0.600 . 1 . . . A 80 VAL CG1 . 25067 1 1006 . 1 1 80 80 VAL CG2 C 13 23.251 0.600 . 1 . . . A 80 VAL CG2 . 25067 1 1007 . 1 1 80 80 VAL N N 15 122.863 0.600 . 1 . . . A 80 VAL N . 25067 1 1008 . 1 1 81 81 ALA H H 1 7.684 0.030 . 1 . . . A 81 ALA H . 25067 1 1009 . 1 1 81 81 ALA HA H 1 3.733 0.030 . 1 . . . A 81 ALA HA . 25067 1 1010 . 1 1 81 81 ALA HB1 H 1 1.438 0.030 . 1 . . . A 81 ALA HB1 . 25067 1 1011 . 1 1 81 81 ALA HB2 H 1 1.438 0.030 . 1 . . . A 81 ALA HB2 . 25067 1 1012 . 1 1 81 81 ALA HB3 H 1 1.438 0.030 . 1 . . . A 81 ALA HB3 . 25067 1 1013 . 1 1 81 81 ALA C C 13 178.529 0.600 . 1 . . . A 81 ALA C . 25067 1 1014 . 1 1 81 81 ALA CA C 13 55.645 0.600 . 1 . . . A 81 ALA CA . 25067 1 1015 . 1 1 81 81 ALA CB C 13 18.415 0.600 . 1 . . . A 81 ALA CB . 25067 1 1016 . 1 1 81 81 ALA N N 15 122.490 0.600 . 1 . . . A 81 ALA N . 25067 1 1017 . 1 1 82 82 ASN H H 1 7.752 0.030 . 1 . . . A 82 ASN H . 25067 1 1018 . 1 1 82 82 ASN HA H 1 4.378 0.030 . 1 . . . A 82 ASN HA . 25067 1 1019 . 1 1 82 82 ASN HB2 H 1 2.783 0.030 . 1 . . . A 82 ASN HB2 . 25067 1 1020 . 1 1 82 82 ASN HB3 H 1 2.870 0.030 . 1 . . . A 82 ASN HB3 . 25067 1 1021 . 1 1 82 82 ASN HD21 H 1 7.627 0.030 . 2 . . . A 82 ASN HD21 . 25067 1 1022 . 1 1 82 82 ASN HD22 H 1 6.902 0.030 . 2 . . . A 82 ASN HD22 . 25067 1 1023 . 1 1 82 82 ASN C C 13 177.505 0.600 . 1 . . . A 82 ASN C . 25067 1 1024 . 1 1 82 82 ASN CA C 13 56.203 0.600 . 1 . . . A 82 ASN CA . 25067 1 1025 . 1 1 82 82 ASN CB C 13 38.834 0.600 . 1 . . . A 82 ASN CB . 25067 1 1026 . 1 1 82 82 ASN N N 15 114.569 0.600 . 1 . . . A 82 ASN N . 25067 1 1027 . 1 1 82 82 ASN ND2 N 15 112.839 0.600 . 1 . . . A 82 ASN ND2 . 25067 1 1028 . 1 1 83 83 LYS H H 1 8.343 0.030 . 1 . . . A 83 LYS H . 25067 1 1029 . 1 1 83 83 LYS HA H 1 4.094 0.030 . 1 . . . A 83 LYS HA . 25067 1 1030 . 1 1 83 83 LYS HB2 H 1 1.854 0.030 . 1 . . . A 83 LYS HB2 . 25067 1 1031 . 1 1 83 83 LYS HB3 H 1 1.854 0.030 . 1 . . . A 83 LYS HB3 . 25067 1 1032 . 1 1 83 83 LYS HG2 H 1 1.424 0.030 . 1 . . . A 83 LYS HG2 . 25067 1 1033 . 1 1 83 83 LYS HG3 H 1 1.424 0.030 . 1 . . . A 83 LYS HG3 . 25067 1 1034 . 1 1 83 83 LYS HD2 H 1 1.710 0.030 . 1 . . . A 83 LYS HD2 . 25067 1 1035 . 1 1 83 83 LYS HD3 H 1 1.710 0.030 . 1 . . . A 83 LYS HD3 . 25067 1 1036 . 1 1 83 83 LYS HE2 H 1 2.991 0.030 . 1 . . . A 83 LYS HE2 . 25067 1 1037 . 1 1 83 83 LYS HE3 H 1 2.991 0.030 . 1 . . . A 83 LYS HE3 . 25067 1 1038 . 1 1 83 83 LYS C C 13 179.037 0.600 . 1 . . . A 83 LYS C . 25067 1 1039 . 1 1 83 83 LYS CA C 13 59.075 0.600 . 1 . . . A 83 LYS CA . 25067 1 1040 . 1 1 83 83 LYS CB C 13 32.148 0.600 . 1 . . . A 83 LYS CB . 25067 1 1041 . 1 1 83 83 LYS CG C 13 25.032 0.600 . 1 . . . A 83 LYS CG . 25067 1 1042 . 1 1 83 83 LYS CD C 13 28.984 0.600 . 1 . . . A 83 LYS CD . 25067 1 1043 . 1 1 83 83 LYS CE C 13 41.758 0.600 . 1 . . . A 83 LYS CE . 25067 1 1044 . 1 1 83 83 LYS N N 15 121.384 0.600 . 1 . . . A 83 LYS N . 25067 1 1045 . 1 1 84 84 ILE H H 1 8.496 0.030 . 1 . . . A 84 ILE H . 25067 1 1046 . 1 1 84 84 ILE HA H 1 3.485 0.030 . 1 . . . A 84 ILE HA . 25067 1 1047 . 1 1 84 84 ILE HB H 1 1.867 0.030 . 1 . . . A 84 ILE HB . 25067 1 1048 . 1 1 84 84 ILE HG12 H 1 1.122 0.030 . 2 . . . A 84 ILE HG12 . 25067 1 1049 . 1 1 84 84 ILE HG13 H 1 1.088 0.030 . 2 . . . A 84 ILE HG13 . 25067 1 1050 . 1 1 84 84 ILE HG21 H 1 0.735 0.030 . 1 . . . A 84 ILE HG21 . 25067 1 1051 . 1 1 84 84 ILE HG22 H 1 0.735 0.030 . 1 . . . A 84 ILE HG22 . 25067 1 1052 . 1 1 84 84 ILE HG23 H 1 0.735 0.030 . 1 . . . A 84 ILE HG23 . 25067 1 1053 . 1 1 84 84 ILE HD11 H 1 0.713 0.030 . 1 . . . A 84 ILE HD11 . 25067 1 1054 . 1 1 84 84 ILE HD12 H 1 0.713 0.030 . 1 . . . A 84 ILE HD12 . 25067 1 1055 . 1 1 84 84 ILE HD13 H 1 0.713 0.030 . 1 . . . A 84 ILE HD13 . 25067 1 1056 . 1 1 84 84 ILE C C 13 177.063 0.600 . 1 . . . A 84 ILE C . 25067 1 1057 . 1 1 84 84 ILE CA C 13 66.188 0.600 . 1 . . . A 84 ILE CA . 25067 1 1058 . 1 1 84 84 ILE CB C 13 38.388 0.600 . 1 . . . A 84 ILE CB . 25067 1 1059 . 1 1 84 84 ILE CG1 C 13 29.304 0.600 . 1 . . . A 84 ILE CG1 . 25067 1 1060 . 1 1 84 84 ILE CG2 C 13 17.415 0.600 . 1 . . . A 84 ILE CG2 . 25067 1 1061 . 1 1 84 84 ILE CD1 C 13 14.616 0.600 . 1 . . . A 84 ILE CD1 . 25067 1 1062 . 1 1 84 84 ILE N N 15 120.298 0.600 . 1 . . . A 84 ILE N . 25067 1 1063 . 1 1 85 85 ALA H H 1 7.768 0.030 . 1 . . . A 85 ALA H . 25067 1 1064 . 1 1 85 85 ALA HA H 1 3.816 0.030 . 1 . . . A 85 ALA HA . 25067 1 1065 . 1 1 85 85 ALA HB1 H 1 1.399 0.030 . 1 . . . A 85 ALA HB1 . 25067 1 1066 . 1 1 85 85 ALA HB2 H 1 1.399 0.030 . 1 . . . A 85 ALA HB2 . 25067 1 1067 . 1 1 85 85 ALA HB3 H 1 1.399 0.030 . 1 . . . A 85 ALA HB3 . 25067 1 1068 . 1 1 85 85 ALA C C 13 179.891 0.600 . 1 . . . A 85 ALA C . 25067 1 1069 . 1 1 85 85 ALA CA C 13 55.791 0.600 . 1 . . . A 85 ALA CA . 25067 1 1070 . 1 1 85 85 ALA CB C 13 18.048 0.600 . 1 . . . A 85 ALA CB . 25067 1 1071 . 1 1 86 86 ASN H H 1 8.355 0.030 . 1 . . . A 86 ASN H . 25067 1 1072 . 1 1 86 86 ASN HA H 1 4.535 0.030 . 1 . . . A 86 ASN HA . 25067 1 1073 . 1 1 86 86 ASN HB2 H 1 2.938 0.030 . 2 . . . A 86 ASN HB2 . 25067 1 1074 . 1 1 86 86 ASN HB3 H 1 2.879 0.030 . 2 . . . A 86 ASN HB3 . 25067 1 1075 . 1 1 86 86 ASN HD21 H 1 7.619 0.030 . 2 . . . A 86 ASN HD21 . 25067 1 1076 . 1 1 86 86 ASN HD22 H 1 6.915 0.030 . 2 . . . A 86 ASN HD22 . 25067 1 1077 . 1 1 86 86 ASN C C 13 178.423 0.600 . 1 . . . A 86 ASN C . 25067 1 1078 . 1 1 86 86 ASN CA C 13 56.106 0.600 . 1 . . . A 86 ASN CA . 25067 1 1079 . 1 1 86 86 ASN CB C 13 38.784 0.600 . 1 . . . A 86 ASN CB . 25067 1 1080 . 1 1 86 86 ASN N N 15 116.155 0.600 . 1 . . . A 86 ASN N . 25067 1 1081 . 1 1 86 86 ASN ND2 N 15 112.532 0.600 . 1 . . . A 86 ASN ND2 . 25067 1 1082 . 1 1 87 87 GLU H H 1 8.431 0.030 . 1 . . . A 87 GLU H . 25067 1 1083 . 1 1 87 87 GLU HA H 1 4.176 0.030 . 1 . . . A 87 GLU HA . 25067 1 1084 . 1 1 87 87 GLU HB2 H 1 2.180 0.030 . 2 . . . A 87 GLU HB2 . 25067 1 1085 . 1 1 87 87 GLU HB3 H 1 2.099 0.030 . 2 . . . A 87 GLU HB3 . 25067 1 1086 . 1 1 87 87 GLU HG2 H 1 2.403 0.030 . 2 . . . A 87 GLU HG2 . 25067 1 1087 . 1 1 87 87 GLU HG3 H 1 2.210 0.030 . 2 . . . A 87 GLU HG3 . 25067 1 1088 . 1 1 87 87 GLU C C 13 178.381 0.600 . 1 . . . A 87 GLU C . 25067 1 1089 . 1 1 87 87 GLU CA C 13 58.909 0.600 . 1 . . . A 87 GLU CA . 25067 1 1090 . 1 1 87 87 GLU CB C 13 29.652 0.600 . 1 . . . A 87 GLU CB . 25067 1 1091 . 1 1 87 87 GLU CG C 13 36.224 0.600 . 1 . . . A 87 GLU CG . 25067 1 1092 . 1 1 87 87 GLU N N 15 120.806 0.600 . 1 . . . A 87 GLU N . 25067 1 1093 . 1 1 88 88 LEU H H 1 7.547 0.030 . 1 . . . A 88 LEU H . 25067 1 1094 . 1 1 88 88 LEU HA H 1 4.356 0.030 . 1 . . . A 88 LEU HA . 25067 1 1095 . 1 1 88 88 LEU HB2 H 1 1.777 0.030 . 2 . . . A 88 LEU HB2 . 25067 1 1096 . 1 1 88 88 LEU HB3 H 1 1.613 0.030 . 2 . . . A 88 LEU HB3 . 25067 1 1097 . 1 1 88 88 LEU HG H 1 1.864 0.030 . 1 . . . A 88 LEU HG . 25067 1 1098 . 1 1 88 88 LEU HD11 H 1 0.871 0.030 . 2 . . . A 88 LEU HD11 . 25067 1 1099 . 1 1 88 88 LEU HD12 H 1 0.871 0.030 . 2 . . . A 88 LEU HD12 . 25067 1 1100 . 1 1 88 88 LEU HD13 H 1 0.871 0.030 . 2 . . . A 88 LEU HD13 . 25067 1 1101 . 1 1 88 88 LEU HD21 H 1 0.970 0.030 . 2 . . . A 88 LEU HD21 . 25067 1 1102 . 1 1 88 88 LEU HD22 H 1 0.970 0.030 . 2 . . . A 88 LEU HD22 . 25067 1 1103 . 1 1 88 88 LEU HD23 H 1 0.970 0.030 . 2 . . . A 88 LEU HD23 . 25067 1 1104 . 1 1 88 88 LEU C C 13 177.442 0.600 . 1 . . . A 88 LEU C . 25067 1 1105 . 1 1 88 88 LEU CA C 13 54.577 0.600 . 1 . . . A 88 LEU CA . 25067 1 1106 . 1 1 88 88 LEU CB C 13 43.500 0.600 . 1 . . . A 88 LEU CB . 25067 1 1107 . 1 1 88 88 LEU CG C 13 26.931 0.600 . 1 . . . A 88 LEU CG . 25067 1 1108 . 1 1 88 88 LEU CD1 C 13 27.043 0.600 . 1 . . . A 88 LEU CD1 . 25067 1 1109 . 1 1 88 88 LEU CD2 C 13 23.129 0.600 . 1 . . . A 88 LEU CD2 . 25067 1 1110 . 1 1 88 88 LEU N N 15 115.825 0.600 . 1 . . . A 88 LEU N . 25067 1 1111 . 1 1 89 89 GLY H H 1 7.934 0.030 . 1 . . . A 89 GLY H . 25067 1 1112 . 1 1 89 89 GLY HA2 H 1 3.998 0.030 . 2 . . . A 89 GLY HA2 . 25067 1 1113 . 1 1 89 89 GLY HA3 H 1 3.953 0.030 . 2 . . . A 89 GLY HA3 . 25067 1 1114 . 1 1 89 89 GLY C C 13 174.321 0.600 . 1 . . . A 89 GLY C . 25067 1 1115 . 1 1 89 89 GLY CA C 13 46.508 0.600 . 1 . . . A 89 GLY CA . 25067 1 1116 . 1 1 89 89 GLY N N 15 109.579 0.600 . 1 . . . A 89 GLY N . 25067 1 1117 . 1 1 90 90 ALA H H 1 8.017 0.030 . 1 . . . A 90 ALA H . 25067 1 1118 . 1 1 90 90 ALA HA H 1 4.649 0.030 . 1 . . . A 90 ALA HA . 25067 1 1119 . 1 1 90 90 ALA HB1 H 1 1.310 0.030 . 1 . . . A 90 ALA HB1 . 25067 1 1120 . 1 1 90 90 ALA HB2 H 1 1.310 0.030 . 1 . . . A 90 ALA HB2 . 25067 1 1121 . 1 1 90 90 ALA HB3 H 1 1.310 0.030 . 1 . . . A 90 ALA HB3 . 25067 1 1122 . 1 1 90 90 ALA C C 13 177.053 0.600 . 1 . . . A 90 ALA C . 25067 1 1123 . 1 1 90 90 ALA CA C 13 51.074 0.600 . 1 . . . A 90 ALA CA . 25067 1 1124 . 1 1 90 90 ALA CB C 13 21.819 0.600 . 1 . . . A 90 ALA CB . 25067 1 1125 . 1 1 90 90 ALA N N 15 120.990 0.600 . 1 . . . A 90 ALA N . 25067 1 1126 . 1 1 91 91 LYS H H 1 8.366 0.030 . 1 . . . A 91 LYS H . 25067 1 1127 . 1 1 91 91 LYS HA H 1 4.416 0.030 . 1 . . . A 91 LYS HA . 25067 1 1128 . 1 1 91 91 LYS HB2 H 1 1.902 0.030 . 2 . . . A 91 LYS HB2 . 25067 1 1129 . 1 1 91 91 LYS HB3 H 1 1.801 0.030 . 2 . . . A 91 LYS HB3 . 25067 1 1130 . 1 1 91 91 LYS HG2 H 1 1.484 0.030 . 1 . . . A 91 LYS HG2 . 25067 1 1131 . 1 1 91 91 LYS HG3 H 1 1.484 0.030 . 1 . . . A 91 LYS HG3 . 25067 1 1132 . 1 1 91 91 LYS HD2 H 1 1.735 0.030 . 1 . . . A 91 LYS HD2 . 25067 1 1133 . 1 1 91 91 LYS HD3 H 1 1.735 0.030 . 1 . . . A 91 LYS HD3 . 25067 1 1134 . 1 1 91 91 LYS HE2 H 1 3.044 0.030 . 1 . . . A 91 LYS HE2 . 25067 1 1135 . 1 1 91 91 LYS HE3 H 1 3.044 0.030 . 1 . . . A 91 LYS HE3 . 25067 1 1136 . 1 1 91 91 LYS C C 13 175.765 0.600 . 1 . . . A 91 LYS C . 25067 1 1137 . 1 1 91 91 LYS CA C 13 56.179 0.600 . 1 . . . A 91 LYS CA . 25067 1 1138 . 1 1 91 91 LYS CB C 13 32.742 0.600 . 1 . . . A 91 LYS CB . 25067 1 1139 . 1 1 91 91 LYS CG C 13 24.496 0.600 . 1 . . . A 91 LYS CG . 25067 1 1140 . 1 1 91 91 LYS CD C 13 28.983 0.600 . 1 . . . A 91 LYS CD . 25067 1 1141 . 1 1 91 91 LYS CE C 13 42.277 0.600 . 1 . . . A 91 LYS CE . 25067 1 1142 . 1 1 91 91 LYS N N 15 120.615 0.600 . 1 . . . A 91 LYS N . 25067 1 1143 . 1 1 92 92 GLN H H 1 8.495 0.030 . 1 . . . A 92 GLN H . 25067 1 1144 . 1 1 92 92 GLN HA H 1 5.161 0.030 . 1 . . . A 92 GLN HA . 25067 1 1145 . 1 1 92 92 GLN HB2 H 1 1.994 0.030 . 2 . . . A 92 GLN HB2 . 25067 1 1146 . 1 1 92 92 GLN HB3 H 1 1.852 0.030 . 2 . . . A 92 GLN HB3 . 25067 1 1147 . 1 1 92 92 GLN HG2 H 1 2.269 0.030 . 2 . . . A 92 GLN HG2 . 25067 1 1148 . 1 1 92 92 GLN HG3 H 1 2.176 0.030 . 2 . . . A 92 GLN HG3 . 25067 1 1149 . 1 1 92 92 GLN HE21 H 1 7.211 0.030 . 2 . . . A 92 GLN HE21 . 25067 1 1150 . 1 1 92 92 GLN HE22 H 1 6.686 0.030 . 2 . . . A 92 GLN HE22 . 25067 1 1151 . 1 1 92 92 GLN C C 13 175.136 0.600 . 1 . . . A 92 GLN C . 25067 1 1152 . 1 1 92 92 GLN CA C 13 54.110 0.600 . 1 . . . A 92 GLN CA . 25067 1 1153 . 1 1 92 92 GLN CB C 13 30.681 0.600 . 1 . . . A 92 GLN CB . 25067 1 1154 . 1 1 92 92 GLN CG C 13 36.182 0.600 . 1 . . . A 92 GLN CG . 25067 1 1155 . 1 1 92 92 GLN N N 15 119.273 0.600 . 1 . . . A 92 GLN N . 25067 1 1156 . 1 1 92 92 GLN NE2 N 15 109.512 0.600 . 1 . . . A 92 GLN NE2 . 25067 1 1157 . 1 1 93 93 SER H H 1 8.441 0.030 . 1 . . . A 93 SER H . 25067 1 1158 . 1 1 93 93 SER HA H 1 4.781 0.030 . 1 . . . A 93 SER HA . 25067 1 1159 . 1 1 93 93 SER HB2 H 1 3.845 0.030 . 2 . . . A 93 SER HB2 . 25067 1 1160 . 1 1 93 93 SER HB3 H 1 3.781 0.030 . 2 . . . A 93 SER HB3 . 25067 1 1161 . 1 1 93 93 SER C C 13 173.735 0.600 . 1 . . . A 93 SER C . 25067 1 1162 . 1 1 93 93 SER CA C 13 57.819 0.600 . 1 . . . A 93 SER CA . 25067 1 1163 . 1 1 93 93 SER CB C 13 64.648 0.600 . 1 . . . A 93 SER CB . 25067 1 1164 . 1 1 93 93 SER N N 15 117.003 0.600 . 1 . . . A 93 SER N . 25067 1 1165 . 1 1 94 94 THR HA H 1 4.781 0.030 . 1 . . . A 94 THR HA . 25067 1 1166 . 1 1 94 94 THR HB H 1 3.943 0.030 . 1 . . . A 94 THR HB . 25067 1 1167 . 1 1 94 94 THR HG21 H 1 1.183 0.030 . 1 . . . A 94 THR HG21 . 25067 1 1168 . 1 1 94 94 THR HG22 H 1 1.183 0.030 . 1 . . . A 94 THR HG22 . 25067 1 1169 . 1 1 94 94 THR HG23 H 1 1.183 0.030 . 1 . . . A 94 THR HG23 . 25067 1 1170 . 1 1 94 94 THR CA C 13 61.111 0.600 . 1 . . . A 94 THR CA . 25067 1 1171 . 1 1 94 94 THR CB C 13 71.032 0.600 . 1 . . . A 94 THR CB . 25067 1 1172 . 1 1 94 94 THR CG2 C 13 21.597 0.600 . 1 . . . A 94 THR CG2 . 25067 1 1173 . 1 1 95 95 THR H H 1 8.762 0.030 . 1 . . . A 95 THR H . 25067 1 1174 . 1 1 95 95 THR HA H 1 5.098 0.030 . 1 . . . A 95 THR HA . 25067 1 1175 . 1 1 95 95 THR HB H 1 3.942 0.030 . 1 . . . A 95 THR HB . 25067 1 1176 . 1 1 95 95 THR HG21 H 1 1.124 0.030 . 1 . . . A 95 THR HG21 . 25067 1 1177 . 1 1 95 95 THR HG22 H 1 1.124 0.030 . 1 . . . A 95 THR HG22 . 25067 1 1178 . 1 1 95 95 THR HG23 H 1 1.124 0.030 . 1 . . . A 95 THR HG23 . 25067 1 1179 . 1 1 95 95 THR CA C 13 60.438 0.600 . 1 . . . A 95 THR CA . 25067 1 1180 . 1 1 95 95 THR CB C 13 70.780 0.600 . 1 . . . A 95 THR CB . 25067 1 1181 . 1 1 95 95 THR CG2 C 13 22.339 0.600 . 1 . . . A 95 THR CG2 . 25067 1 1182 . 1 1 95 95 THR N N 15 119.923 0.600 . 1 . . . A 95 THR N . 25067 1 1183 . 1 1 96 96 THR HA H 1 4.367 0.030 . 1 . . . A 96 THR HA . 25067 1 1184 . 1 1 96 96 THR HB H 1 4.117 0.030 . 1 . . . A 96 THR HB . 25067 1 1185 . 1 1 96 96 THR HG21 H 1 1.163 0.030 . 1 . . . A 96 THR HG21 . 25067 1 1186 . 1 1 96 96 THR HG22 H 1 1.163 0.030 . 1 . . . A 96 THR HG22 . 25067 1 1187 . 1 1 96 96 THR HG23 H 1 1.163 0.030 . 1 . . . A 96 THR HG23 . 25067 1 1188 . 1 1 96 96 THR CA C 13 61.740 0.600 . 1 . . . A 96 THR CA . 25067 1 1189 . 1 1 96 96 THR CB C 13 70.992 0.600 . 1 . . . A 96 THR CB . 25067 1 1190 . 1 1 96 96 THR CG2 C 13 21.383 0.600 . 1 . . . A 96 THR CG2 . 25067 1 1191 . 1 1 97 97 THR H H 1 8.999 0.030 . 1 . . . A 97 THR H . 25067 1 1192 . 1 1 97 97 THR HA H 1 5.363 0.030 . 1 . . . A 97 THR HA . 25067 1 1193 . 1 1 97 97 THR HB H 1 3.952 0.030 . 1 . . . A 97 THR HB . 25067 1 1194 . 1 1 97 97 THR HG21 H 1 1.107 0.030 . 1 . . . A 97 THR HG21 . 25067 1 1195 . 1 1 97 97 THR HG22 H 1 1.107 0.030 . 1 . . . A 97 THR HG22 . 25067 1 1196 . 1 1 97 97 THR HG23 H 1 1.107 0.030 . 1 . . . A 97 THR HG23 . 25067 1 1197 . 1 1 97 97 THR CA C 13 61.379 0.600 . 1 . . . A 97 THR CA . 25067 1 1198 . 1 1 97 97 THR CB C 13 71.216 0.600 . 1 . . . A 97 THR CB . 25067 1 1199 . 1 1 97 97 THR CG2 C 13 22.163 0.600 . 1 . . . A 97 THR CG2 . 25067 1 1200 . 1 1 97 97 THR N N 15 120.315 0.600 . 1 . . . A 97 THR N . 25067 1 1201 . 1 1 98 98 ASP HA H 1 5.192 0.030 . 1 . . . A 98 ASP HA . 25067 1 1202 . 1 1 98 98 ASP HB2 H 1 2.965 0.030 . 2 . . . A 98 ASP HB2 . 25067 1 1203 . 1 1 98 98 ASP HB3 H 1 2.529 0.030 . 2 . . . A 98 ASP HB3 . 25067 1 1204 . 1 1 98 98 ASP C C 13 175.672 0.600 . 1 . . . A 98 ASP C . 25067 1 1205 . 1 1 98 98 ASP CA C 13 52.593 0.600 . 1 . . . A 98 ASP CA . 25067 1 1206 . 1 1 98 98 ASP CB C 13 41.735 0.600 . 1 . . . A 98 ASP CB . 25067 1 1207 . 1 1 99 99 GLY H H 1 7.817 0.030 . 1 . . . A 99 GLY H . 25067 1 1208 . 1 1 99 99 GLY HA2 H 1 4.192 0.030 . 2 . . . A 99 GLY HA2 . 25067 1 1209 . 1 1 99 99 GLY HA3 H 1 3.827 0.030 . 2 . . . A 99 GLY HA3 . 25067 1 1210 . 1 1 99 99 GLY C C 13 174.049 0.600 . 1 . . . A 99 GLY C . 25067 1 1211 . 1 1 99 99 GLY CA C 13 45.026 0.600 . 1 . . . A 99 GLY CA . 25067 1 1212 . 1 1 99 99 GLY N N 15 111.919 0.600 . 1 . . . A 99 GLY N . 25067 1 1213 . 1 1 100 100 ASP HA H 1 4.554 0.030 . 1 . . . A 100 ASP HA . 25067 1 1214 . 1 1 100 100 ASP HB2 H 1 2.838 0.030 . 2 . . . A 100 ASP HB2 . 25067 1 1215 . 1 1 100 100 ASP HB3 H 1 2.704 0.030 . 2 . . . A 100 ASP HB3 . 25067 1 1216 . 1 1 100 100 ASP C C 13 177.518 0.600 . 1 . . . A 100 ASP C . 25067 1 1217 . 1 1 100 100 ASP CA C 13 57.488 0.600 . 1 . . . A 100 ASP CA . 25067 1 1218 . 1 1 100 100 ASP CB C 13 41.637 0.600 . 1 . . . A 100 ASP CB . 25067 1 1219 . 1 1 101 101 THR H H 1 7.819 0.030 . 1 . . . A 101 THR H . 25067 1 1220 . 1 1 101 101 THR HA H 1 4.613 0.030 . 1 . . . A 101 THR HA . 25067 1 1221 . 1 1 101 101 THR HB H 1 3.892 0.030 . 1 . . . A 101 THR HB . 25067 1 1222 . 1 1 101 101 THR HG21 H 1 1.095 0.030 . 1 . . . A 101 THR HG21 . 25067 1 1223 . 1 1 101 101 THR HG22 H 1 1.095 0.030 . 1 . . . A 101 THR HG22 . 25067 1 1224 . 1 1 101 101 THR HG23 H 1 1.095 0.030 . 1 . . . A 101 THR HG23 . 25067 1 1225 . 1 1 101 101 THR C C 13 173.003 0.600 . 1 . . . A 101 THR C . 25067 1 1226 . 1 1 101 101 THR CA C 13 60.857 0.600 . 1 . . . A 101 THR CA . 25067 1 1227 . 1 1 101 101 THR CB C 13 70.589 0.600 . 1 . . . A 101 THR CB . 25067 1 1228 . 1 1 101 101 THR CG2 C 13 22.246 0.600 . 1 . . . A 101 THR CG2 . 25067 1 1229 . 1 1 101 101 THR N N 15 112.835 0.600 . 1 . . . A 101 THR N . 25067 1 1230 . 1 1 102 102 PHE H H 1 8.581 0.030 . 1 . . . A 102 PHE H . 25067 1 1231 . 1 1 102 102 PHE HA H 1 4.891 0.030 . 1 . . . A 102 PHE HA . 25067 1 1232 . 1 1 102 102 PHE HB2 H 1 2.185 0.030 . 2 . . . A 102 PHE HB2 . 25067 1 1233 . 1 1 102 102 PHE HB3 H 1 1.729 0.030 . 2 . . . A 102 PHE HB3 . 25067 1 1234 . 1 1 102 102 PHE HD1 H 1 7.163 0.030 . 1 . . . A 102 PHE HD1 . 25067 1 1235 . 1 1 102 102 PHE HD2 H 1 7.163 0.030 . 1 . . . A 102 PHE HD2 . 25067 1 1236 . 1 1 102 102 PHE HE1 H 1 7.241 0.030 . 1 . . . A 102 PHE HE1 . 25067 1 1237 . 1 1 102 102 PHE HE2 H 1 7.241 0.030 . 1 . . . A 102 PHE HE2 . 25067 1 1238 . 1 1 102 102 PHE HZ H 1 7.190 0.030 . 1 . . . A 102 PHE HZ . 25067 1 1239 . 1 1 102 102 PHE C C 13 173.286 0.600 . 1 . . . A 102 PHE C . 25067 1 1240 . 1 1 102 102 PHE CA C 13 57.173 0.600 . 1 . . . A 102 PHE CA . 25067 1 1241 . 1 1 102 102 PHE CB C 13 40.719 0.600 . 1 . . . A 102 PHE CB . 25067 1 1242 . 1 1 102 102 PHE CD1 C 13 132.171 0.600 . 1 . . . A 102 PHE CD1 . 25067 1 1243 . 1 1 102 102 PHE CD2 C 13 132.171 0.600 . 1 . . . A 102 PHE CD2 . 25067 1 1244 . 1 1 102 102 PHE CE1 C 13 130.901 0.600 . 1 . . . A 102 PHE CE1 . 25067 1 1245 . 1 1 102 102 PHE CE2 C 13 130.901 0.600 . 1 . . . A 102 PHE CE2 . 25067 1 1246 . 1 1 102 102 PHE CZ C 13 129.560 0.600 . 1 . . . A 102 PHE CZ . 25067 1 1247 . 1 1 102 102 PHE N N 15 126.633 0.600 . 1 . . . A 102 PHE N . 25067 1 1248 . 1 1 103 103 GLU H H 1 7.986 0.030 . 1 . . . A 103 GLU H . 25067 1 1249 . 1 1 103 103 GLU HA H 1 5.237 0.030 . 1 . . . A 103 GLU HA . 25067 1 1250 . 1 1 103 103 GLU HB2 H 1 1.802 0.030 . 2 . . . A 103 GLU HB2 . 25067 1 1251 . 1 1 103 103 GLU HB3 H 1 1.729 0.030 . 2 . . . A 103 GLU HB3 . 25067 1 1252 . 1 1 103 103 GLU HG2 H 1 1.867 0.030 . 1 . . . A 103 GLU HG2 . 25067 1 1253 . 1 1 103 103 GLU HG3 H 1 1.867 0.030 . 1 . . . A 103 GLU HG3 . 25067 1 1254 . 1 1 103 103 GLU C C 13 173.851 0.600 . 1 . . . A 103 GLU C . 25067 1 1255 . 1 1 103 103 GLU CA C 13 54.060 0.600 . 1 . . . A 103 GLU CA . 25067 1 1256 . 1 1 103 103 GLU CB C 13 34.318 0.600 . 1 . . . A 103 GLU CB . 25067 1 1257 . 1 1 103 103 GLU CG C 13 37.373 0.600 . 1 . . . A 103 GLU CG . 25067 1 1258 . 1 1 103 103 GLU N N 15 125.528 0.600 . 1 . . . A 103 GLU N . 25067 1 1259 . 1 1 104 104 VAL H H 1 9.245 0.030 . 1 . . . A 104 VAL H . 25067 1 1260 . 1 1 104 104 VAL HA H 1 4.644 0.030 . 1 . . . A 104 VAL HA . 25067 1 1261 . 1 1 104 104 VAL HB H 1 2.023 0.030 . 1 . . . A 104 VAL HB . 25067 1 1262 . 1 1 104 104 VAL HG11 H 1 0.925 0.030 . 2 . . . A 104 VAL HG11 . 25067 1 1263 . 1 1 104 104 VAL HG12 H 1 0.925 0.030 . 2 . . . A 104 VAL HG12 . 25067 1 1264 . 1 1 104 104 VAL HG13 H 1 0.925 0.030 . 2 . . . A 104 VAL HG13 . 25067 1 1265 . 1 1 104 104 VAL HG21 H 1 0.918 0.030 . 2 . . . A 104 VAL HG21 . 25067 1 1266 . 1 1 104 104 VAL HG22 H 1 0.918 0.030 . 2 . . . A 104 VAL HG22 . 25067 1 1267 . 1 1 104 104 VAL HG23 H 1 0.918 0.030 . 2 . . . A 104 VAL HG23 . 25067 1 1268 . 1 1 104 104 VAL C C 13 173.763 0.600 . 1 . . . A 104 VAL C . 25067 1 1269 . 1 1 104 104 VAL CA C 13 59.963 0.600 . 1 . . . A 104 VAL CA . 25067 1 1270 . 1 1 104 104 VAL CB C 13 34.370 0.600 . 1 . . . A 104 VAL CB . 25067 1 1271 . 1 1 104 104 VAL CG1 C 13 21.846 0.600 . 1 . . . A 104 VAL CG1 . 25067 1 1272 . 1 1 104 104 VAL CG2 C 13 21.258 0.600 . 1 . . . A 104 VAL CG2 . 25067 1 1273 . 1 1 104 104 VAL N N 15 124.582 0.600 . 1 . . . A 104 VAL N . 25067 1 1274 . 1 1 105 105 GLU H H 1 9.040 0.030 . 1 . . . A 105 GLU H . 25067 1 1275 . 1 1 105 105 GLU HA H 1 5.252 0.030 . 1 . . . A 105 GLU HA . 25067 1 1276 . 1 1 105 105 GLU HB2 H 1 2.100 0.030 . 2 . . . A 105 GLU HB2 . 25067 1 1277 . 1 1 105 105 GLU HB3 H 1 1.761 0.030 . 2 . . . A 105 GLU HB3 . 25067 1 1278 . 1 1 105 105 GLU HG2 H 1 1.982 0.030 . 1 . . . A 105 GLU HG2 . 25067 1 1279 . 1 1 105 105 GLU HG3 H 1 1.982 0.030 . 1 . . . A 105 GLU HG3 . 25067 1 1280 . 1 1 105 105 GLU C C 13 174.572 0.600 . 1 . . . A 105 GLU C . 25067 1 1281 . 1 1 105 105 GLU CA C 13 54.359 0.600 . 1 . . . A 105 GLU CA . 25067 1 1282 . 1 1 105 105 GLU CB C 13 32.818 0.600 . 1 . . . A 105 GLU CB . 25067 1 1283 . 1 1 105 105 GLU CG C 13 37.228 0.600 . 1 . . . A 105 GLU CG . 25067 1 1284 . 1 1 105 105 GLU N N 15 127.755 0.600 . 1 . . . A 105 GLU N . 25067 1 1285 . 1 1 106 106 VAL H H 1 9.315 0.030 . 1 . . . A 106 VAL H . 25067 1 1286 . 1 1 106 106 VAL HA H 1 4.768 0.030 . 1 . . . A 106 VAL HA . 25067 1 1287 . 1 1 106 106 VAL HB H 1 2.024 0.030 . 1 . . . A 106 VAL HB . 25067 1 1288 . 1 1 106 106 VAL HG11 H 1 0.837 0.030 . 2 . . . A 106 VAL HG11 . 25067 1 1289 . 1 1 106 106 VAL HG12 H 1 0.837 0.030 . 2 . . . A 106 VAL HG12 . 25067 1 1290 . 1 1 106 106 VAL HG13 H 1 0.837 0.030 . 2 . . . A 106 VAL HG13 . 25067 1 1291 . 1 1 106 106 VAL HG21 H 1 0.920 0.030 . 2 . . . A 106 VAL HG21 . 25067 1 1292 . 1 1 106 106 VAL HG22 H 1 0.920 0.030 . 2 . . . A 106 VAL HG22 . 25067 1 1293 . 1 1 106 106 VAL HG23 H 1 0.920 0.030 . 2 . . . A 106 VAL HG23 . 25067 1 1294 . 1 1 106 106 VAL C C 13 174.692 0.600 . 1 . . . A 106 VAL C . 25067 1 1295 . 1 1 106 106 VAL CA C 13 60.423 0.600 . 1 . . . A 106 VAL CA . 25067 1 1296 . 1 1 106 106 VAL CB C 13 34.142 0.600 . 1 . . . A 106 VAL CB . 25067 1 1297 . 1 1 106 106 VAL CG1 C 13 20.908 0.600 . 1 . . . A 106 VAL CG1 . 25067 1 1298 . 1 1 106 106 VAL CG2 C 13 21.650 0.600 . 1 . . . A 106 VAL CG2 . 25067 1 1299 . 1 1 106 106 VAL N N 15 127.452 0.600 . 1 . . . A 106 VAL N . 25067 1 1300 . 1 1 107 107 ILE H H 1 8.814 0.030 . 1 . . . A 107 ILE H . 25067 1 1301 . 1 1 107 107 ILE HA H 1 4.617 0.030 . 1 . . . A 107 ILE HA . 25067 1 1302 . 1 1 107 107 ILE HB H 1 1.879 0.030 . 1 . . . A 107 ILE HB . 25067 1 1303 . 1 1 107 107 ILE HG12 H 1 1.536 0.030 . 2 . . . A 107 ILE HG12 . 25067 1 1304 . 1 1 107 107 ILE HG13 H 1 1.111 0.030 . 2 . . . A 107 ILE HG13 . 25067 1 1305 . 1 1 107 107 ILE HG21 H 1 0.904 0.030 . 1 . . . A 107 ILE HG21 . 25067 1 1306 . 1 1 107 107 ILE HG22 H 1 0.904 0.030 . 1 . . . A 107 ILE HG22 . 25067 1 1307 . 1 1 107 107 ILE HG23 H 1 0.904 0.030 . 1 . . . A 107 ILE HG23 . 25067 1 1308 . 1 1 107 107 ILE HD11 H 1 0.817 0.030 . 1 . . . A 107 ILE HD11 . 25067 1 1309 . 1 1 107 107 ILE HD12 H 1 0.817 0.030 . 1 . . . A 107 ILE HD12 . 25067 1 1310 . 1 1 107 107 ILE HD13 H 1 0.817 0.030 . 1 . . . A 107 ILE HD13 . 25067 1 1311 . 1 1 107 107 ILE C C 13 176.187 0.600 . 1 . . . A 107 ILE C . 25067 1 1312 . 1 1 107 107 ILE CA C 13 60.406 0.600 . 1 . . . A 107 ILE CA . 25067 1 1313 . 1 1 107 107 ILE CB C 13 38.521 0.600 . 1 . . . A 107 ILE CB . 25067 1 1314 . 1 1 107 107 ILE CG1 C 13 27.646 0.600 . 1 . . . A 107 ILE CG1 . 25067 1 1315 . 1 1 107 107 ILE CG2 C 13 17.619 0.600 . 1 . . . A 107 ILE CG2 . 25067 1 1316 . 1 1 107 107 ILE CD1 C 13 12.611 0.600 . 1 . . . A 107 ILE CD1 . 25067 1 1317 . 1 1 107 107 ILE N N 15 127.006 0.600 . 1 . . . A 107 ILE N . 25067 1 1318 . 1 1 108 108 LEU H H 1 8.652 0.030 . 1 . . . A 108 LEU H . 25067 1 1319 . 1 1 108 108 LEU HA H 1 4.757 0.030 . 1 . . . A 108 LEU HA . 25067 1 1320 . 1 1 108 108 LEU HB2 H 1 1.691 0.030 . 2 . . . A 108 LEU HB2 . 25067 1 1321 . 1 1 108 108 LEU HB3 H 1 1.550 0.030 . 2 . . . A 108 LEU HB3 . 25067 1 1322 . 1 1 108 108 LEU HG H 1 1.568 0.030 . 1 . . . A 108 LEU HG . 25067 1 1323 . 1 1 108 108 LEU HD11 H 1 0.757 0.030 . 2 . . . A 108 LEU HD11 . 25067 1 1324 . 1 1 108 108 LEU HD12 H 1 0.757 0.030 . 2 . . . A 108 LEU HD12 . 25067 1 1325 . 1 1 108 108 LEU HD13 H 1 0.757 0.030 . 2 . . . A 108 LEU HD13 . 25067 1 1326 . 1 1 108 108 LEU HD21 H 1 0.728 0.030 . 2 . . . A 108 LEU HD21 . 25067 1 1327 . 1 1 108 108 LEU HD22 H 1 0.728 0.030 . 2 . . . A 108 LEU HD22 . 25067 1 1328 . 1 1 108 108 LEU HD23 H 1 0.728 0.030 . 2 . . . A 108 LEU HD23 . 25067 1 1329 . 1 1 108 108 LEU C C 13 176.058 0.600 . 1 . . . A 108 LEU C . 25067 1 1330 . 1 1 108 108 LEU CA C 13 54.124 0.600 . 1 . . . A 108 LEU CA . 25067 1 1331 . 1 1 108 108 LEU CB C 13 43.074 0.600 . 1 . . . A 108 LEU CB . 25067 1 1332 . 1 1 108 108 LEU CG C 13 27.230 0.600 . 1 . . . A 108 LEU CG . 25067 1 1333 . 1 1 108 108 LEU CD1 C 13 25.809 0.600 . 1 . . . A 108 LEU CD1 . 25067 1 1334 . 1 1 108 108 LEU CD2 C 13 24.454 0.600 . 1 . . . A 108 LEU CD2 . 25067 1 1335 . 1 1 108 108 LEU N N 15 128.313 0.600 . 1 . . . A 108 LEU N . 25067 1 1336 . 1 1 109 109 GLU HA H 1 4.532 0.030 . 1 . . . A 109 GLU HA . 25067 1 1337 . 1 1 109 109 GLU HB2 H 1 2.033 0.030 . 2 . . . A 109 GLU HB2 . 25067 1 1338 . 1 1 109 109 GLU HB3 H 1 1.881 0.030 . 2 . . . A 109 GLU HB3 . 25067 1 1339 . 1 1 109 109 GLU HG2 H 1 2.239 0.030 . 2 . . . A 109 GLU HG2 . 25067 1 1340 . 1 1 109 109 GLU HG3 H 1 2.183 0.030 . 2 . . . A 109 GLU HG3 . 25067 1 1341 . 1 1 109 109 GLU C C 13 175.408 0.600 . 1 . . . A 109 GLU C . 25067 1 1342 . 1 1 109 109 GLU CA C 13 55.361 0.600 . 1 . . . A 109 GLU CA . 25067 1 1343 . 1 1 109 109 GLU CB C 13 30.647 0.600 . 1 . . . A 109 GLU CB . 25067 1 1344 . 1 1 109 109 GLU CG C 13 36.253 0.600 . 1 . . . A 109 GLU CG . 25067 1 1345 . 1 1 110 110 LEU H H 1 8.402 0.030 . 1 . . . A 110 LEU H . 25067 1 1346 . 1 1 110 110 LEU HA H 1 4.401 0.030 . 1 . . . A 110 LEU HA . 25067 1 1347 . 1 1 110 110 LEU HB2 H 1 1.565 0.030 . 1 . . . A 110 LEU HB2 . 25067 1 1348 . 1 1 110 110 LEU HB3 H 1 1.565 0.030 . 1 . . . A 110 LEU HB3 . 25067 1 1349 . 1 1 110 110 LEU HG H 1 1.572 0.030 . 1 . . . A 110 LEU HG . 25067 1 1350 . 1 1 110 110 LEU HD11 H 1 0.891 0.030 . 2 . . . A 110 LEU HD11 . 25067 1 1351 . 1 1 110 110 LEU HD12 H 1 0.891 0.030 . 2 . . . A 110 LEU HD12 . 25067 1 1352 . 1 1 110 110 LEU HD13 H 1 0.891 0.030 . 2 . . . A 110 LEU HD13 . 25067 1 1353 . 1 1 110 110 LEU HD21 H 1 0.843 0.030 . 2 . . . A 110 LEU HD21 . 25067 1 1354 . 1 1 110 110 LEU HD22 H 1 0.843 0.030 . 2 . . . A 110 LEU HD22 . 25067 1 1355 . 1 1 110 110 LEU HD23 H 1 0.843 0.030 . 2 . . . A 110 LEU HD23 . 25067 1 1356 . 1 1 110 110 LEU C C 13 176.854 0.600 . 1 . . . A 110 LEU C . 25067 1 1357 . 1 1 110 110 LEU CA C 13 54.969 0.600 . 1 . . . A 110 LEU CA . 25067 1 1358 . 1 1 110 110 LEU CB C 13 42.515 0.600 . 1 . . . A 110 LEU CB . 25067 1 1359 . 1 1 110 110 LEU CG C 13 27.232 0.600 . 1 . . . A 110 LEU CG . 25067 1 1360 . 1 1 110 110 LEU CD1 C 13 25.264 0.600 . 1 . . . A 110 LEU CD1 . 25067 1 1361 . 1 1 110 110 LEU CD2 C 13 23.864 0.600 . 1 . . . A 110 LEU CD2 . 25067 1 1362 . 1 1 110 110 LEU N N 15 125.467 0.600 . 1 . . . A 110 LEU N . 25067 1 1363 . 1 1 111 111 GLU H H 1 8.607 0.030 . 1 . . . A 111 GLU H . 25067 1 1364 . 1 1 111 111 GLU HA H 1 4.261 0.030 . 1 . . . A 111 GLU HA . 25067 1 1365 . 1 1 111 111 GLU HB2 H 1 1.956 0.030 . 2 . . . A 111 GLU HB2 . 25067 1 1366 . 1 1 111 111 GLU HB3 H 1 1.919 0.030 . 2 . . . A 111 GLU HB3 . 25067 1 1367 . 1 1 111 111 GLU HG2 H 1 2.207 0.030 . 1 . . . A 111 GLU HG2 . 25067 1 1368 . 1 1 111 111 GLU HG3 H 1 2.207 0.030 . 1 . . . A 111 GLU HG3 . 25067 1 1369 . 1 1 111 111 GLU CA C 13 56.521 0.600 . 1 . . . A 111 GLU CA . 25067 1 1370 . 1 1 111 111 GLU CB C 13 30.291 0.600 . 1 . . . A 111 GLU CB . 25067 1 1371 . 1 1 111 111 GLU CG C 13 35.961 0.600 . 1 . . . A 111 GLU CG . 25067 1 1372 . 1 1 111 111 GLU N N 15 121.575 0.600 . 1 . . . A 111 GLU N . 25067 1 stop_ save_