data_17448 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17448 _Entry.Title ; Solution structure of the protein YP_546394.1, the first structural representative of the pfam family PF12112 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-08 _Entry.Accession_date 2011-02-08 _Entry.Last_release_date 2011-03-08 _Entry.Original_release_date 2011-03-08 _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 BISWARANJAN MOHANTY . . . 17448 2 PEDRO SERRANO . . . 17448 3 MICHAEL GERALT . . . 17448 4 RETO HORST . . . 17448 5 KURT WUTHRICH . . . 17448 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, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 17448 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Joint Center for Structural Genomics' . 17448 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Methylobacillus flagellatus KT' . 17448 PG9854E . 17448 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17448 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 471 17448 '15N chemical shifts' 117 17448 '1H chemical shifts' 761 17448 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 . . 2011-03-08 2011-02-08 original author . 17448 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L9D 'BMRB Entry Tracking System' 17448 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17448 _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 structure of the protein YP_546394.1, the first structural representative of the pfam family PF12112' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 BISWARANJAN MOHANTY . . . 17448 1 2 PEDRO SERRANO . . . 17448 1 3 MICHAEL GERALT . . . 17448 1 4 RETO HORST . . . 17448 1 5 KURT WUTHRICH . . . 17448 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17448 _Assembly.ID 1 _Assembly.Name 'protein YP_546394.1' _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 'protein YP_546394.1' 1 $YP_546394.1 A . yes native no no . . . 17448 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YP_546394.1 _Entity.Sf_category entity _Entity.Sf_framecode YP_546394.1 _Entity.Entry_ID 17448 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YP_546394.1 _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 ; GMGTTEKSGIKEIIIQGLTR AGKPFRPSDWVDRMCSTYAS FGADRKLRYSPYLKPRVIEG VRCLAVDLKLKDTNPEGFNQ LMHFATENQLNILDAEGNSI DAAQVTEI ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12034.806 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2L9D . "Solution Structure Of The Protein Yp_546394.1, The First Structural Representative Of The Pfam Family Pf12112" . . . . . 100.00 108 100.00 100.00 5.03e-74 . . . . 17448 1 2 no GB ABE50553 . "hypothetical protein Mfla_2286 [Methylobacillus flagellatus KT]" . . . . . 99.07 107 100.00 100.00 3.56e-73 . . . . 17448 1 3 no REF WP_011480507 . "hypothetical protein [Methylobacillus flagellatus]" . . . . . 99.07 107 100.00 100.00 3.56e-73 . . . . 17448 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'unknown function' 17448 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 GLY . 17448 1 2 2 MET . 17448 1 3 3 GLY . 17448 1 4 4 THR . 17448 1 5 5 THR . 17448 1 6 6 GLU . 17448 1 7 7 LYS . 17448 1 8 8 SER . 17448 1 9 9 GLY . 17448 1 10 10 ILE . 17448 1 11 11 LYS . 17448 1 12 12 GLU . 17448 1 13 13 ILE . 17448 1 14 14 ILE . 17448 1 15 15 ILE . 17448 1 16 16 GLN . 17448 1 17 17 GLY . 17448 1 18 18 LEU . 17448 1 19 19 THR . 17448 1 20 20 ARG . 17448 1 21 21 ALA . 17448 1 22 22 GLY . 17448 1 23 23 LYS . 17448 1 24 24 PRO . 17448 1 25 25 PHE . 17448 1 26 26 ARG . 17448 1 27 27 PRO . 17448 1 28 28 SER . 17448 1 29 29 ASP . 17448 1 30 30 TRP . 17448 1 31 31 VAL . 17448 1 32 32 ASP . 17448 1 33 33 ARG . 17448 1 34 34 MET . 17448 1 35 35 CYS . 17448 1 36 36 SER . 17448 1 37 37 THR . 17448 1 38 38 TYR . 17448 1 39 39 ALA . 17448 1 40 40 SER . 17448 1 41 41 PHE . 17448 1 42 42 GLY . 17448 1 43 43 ALA . 17448 1 44 44 ASP . 17448 1 45 45 ARG . 17448 1 46 46 LYS . 17448 1 47 47 LEU . 17448 1 48 48 ARG . 17448 1 49 49 TYR . 17448 1 50 50 SER . 17448 1 51 51 PRO . 17448 1 52 52 TYR . 17448 1 53 53 LEU . 17448 1 54 54 LYS . 17448 1 55 55 PRO . 17448 1 56 56 ARG . 17448 1 57 57 VAL . 17448 1 58 58 ILE . 17448 1 59 59 GLU . 17448 1 60 60 GLY . 17448 1 61 61 VAL . 17448 1 62 62 ARG . 17448 1 63 63 CYS . 17448 1 64 64 LEU . 17448 1 65 65 ALA . 17448 1 66 66 VAL . 17448 1 67 67 ASP . 17448 1 68 68 LEU . 17448 1 69 69 LYS . 17448 1 70 70 LEU . 17448 1 71 71 LYS . 17448 1 72 72 ASP . 17448 1 73 73 THR . 17448 1 74 74 ASN . 17448 1 75 75 PRO . 17448 1 76 76 GLU . 17448 1 77 77 GLY . 17448 1 78 78 PHE . 17448 1 79 79 ASN . 17448 1 80 80 GLN . 17448 1 81 81 LEU . 17448 1 82 82 MET . 17448 1 83 83 HIS . 17448 1 84 84 PHE . 17448 1 85 85 ALA . 17448 1 86 86 THR . 17448 1 87 87 GLU . 17448 1 88 88 ASN . 17448 1 89 89 GLN . 17448 1 90 90 LEU . 17448 1 91 91 ASN . 17448 1 92 92 ILE . 17448 1 93 93 LEU . 17448 1 94 94 ASP . 17448 1 95 95 ALA . 17448 1 96 96 GLU . 17448 1 97 97 GLY . 17448 1 98 98 ASN . 17448 1 99 99 SER . 17448 1 100 100 ILE . 17448 1 101 101 ASP . 17448 1 102 102 ALA . 17448 1 103 103 ALA . 17448 1 104 104 GLN . 17448 1 105 105 VAL . 17448 1 106 106 THR . 17448 1 107 107 GLU . 17448 1 108 108 ILE . 17448 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 . GLY 1 1 17448 1 . MET 2 2 17448 1 . GLY 3 3 17448 1 . THR 4 4 17448 1 . THR 5 5 17448 1 . GLU 6 6 17448 1 . LYS 7 7 17448 1 . SER 8 8 17448 1 . GLY 9 9 17448 1 . ILE 10 10 17448 1 . LYS 11 11 17448 1 . GLU 12 12 17448 1 . ILE 13 13 17448 1 . ILE 14 14 17448 1 . ILE 15 15 17448 1 . GLN 16 16 17448 1 . GLY 17 17 17448 1 . LEU 18 18 17448 1 . THR 19 19 17448 1 . ARG 20 20 17448 1 . ALA 21 21 17448 1 . GLY 22 22 17448 1 . LYS 23 23 17448 1 . PRO 24 24 17448 1 . PHE 25 25 17448 1 . ARG 26 26 17448 1 . PRO 27 27 17448 1 . SER 28 28 17448 1 . ASP 29 29 17448 1 . TRP 30 30 17448 1 . VAL 31 31 17448 1 . ASP 32 32 17448 1 . ARG 33 33 17448 1 . MET 34 34 17448 1 . CYS 35 35 17448 1 . SER 36 36 17448 1 . THR 37 37 17448 1 . TYR 38 38 17448 1 . ALA 39 39 17448 1 . SER 40 40 17448 1 . PHE 41 41 17448 1 . GLY 42 42 17448 1 . ALA 43 43 17448 1 . ASP 44 44 17448 1 . ARG 45 45 17448 1 . LYS 46 46 17448 1 . LEU 47 47 17448 1 . ARG 48 48 17448 1 . TYR 49 49 17448 1 . SER 50 50 17448 1 . PRO 51 51 17448 1 . TYR 52 52 17448 1 . LEU 53 53 17448 1 . LYS 54 54 17448 1 . PRO 55 55 17448 1 . ARG 56 56 17448 1 . VAL 57 57 17448 1 . ILE 58 58 17448 1 . GLU 59 59 17448 1 . GLY 60 60 17448 1 . VAL 61 61 17448 1 . ARG 62 62 17448 1 . CYS 63 63 17448 1 . LEU 64 64 17448 1 . ALA 65 65 17448 1 . VAL 66 66 17448 1 . ASP 67 67 17448 1 . LEU 68 68 17448 1 . LYS 69 69 17448 1 . LEU 70 70 17448 1 . LYS 71 71 17448 1 . ASP 72 72 17448 1 . THR 73 73 17448 1 . ASN 74 74 17448 1 . PRO 75 75 17448 1 . GLU 76 76 17448 1 . GLY 77 77 17448 1 . PHE 78 78 17448 1 . ASN 79 79 17448 1 . GLN 80 80 17448 1 . LEU 81 81 17448 1 . MET 82 82 17448 1 . HIS 83 83 17448 1 . PHE 84 84 17448 1 . ALA 85 85 17448 1 . THR 86 86 17448 1 . GLU 87 87 17448 1 . ASN 88 88 17448 1 . GLN 89 89 17448 1 . LEU 90 90 17448 1 . ASN 91 91 17448 1 . ILE 92 92 17448 1 . LEU 93 93 17448 1 . ASP 94 94 17448 1 . ALA 95 95 17448 1 . GLU 96 96 17448 1 . GLY 97 97 17448 1 . ASN 98 98 17448 1 . SER 99 99 17448 1 . ILE 100 100 17448 1 . ASP 101 101 17448 1 . ALA 102 102 17448 1 . ALA 103 103 17448 1 . GLN 104 104 17448 1 . VAL 105 105 17448 1 . THR 106 106 17448 1 . GLU 107 107 17448 1 . ILE 108 108 17448 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 17448 _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 $YP_546394.1 . 405 organism . 'Methylobacillus flagellatus' b-proteobacteria . . Bacteria . Methylobacillus flagellatus . . . . . . . . . . . . . . . . YP_546394.1 . . . . 17448 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 17448 _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 $YP_546394.1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pSpeedET . . . . . . 17448 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17448 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM sodium chloride, 20mM sodium phosphate, 4.5 mM sodium azide, 1.2 mM [U-98% 13C, U-98% 15N]' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YP_546394.1 '[U-98% 13C; U-98% 15N]' . . 1 $YP_546394.1 . . 1.2 . . mM . . . . 17448 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17448 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17448 1 4 'sodium azide' 'natural abundance' . . . . . . 4.5 . . mM . . . . 17448 1 5 H20 'natural abundance' . . . . . . 95 . . % . . . . 17448 1 6 D20 'natural abundance' . . . . . . 5 . . % . . . . 17448 1 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 17448 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.113 . M 17448 1 pH 6.0 . pH 17448 1 pressure 1 . atm 17448 1 temperature 298 . K 17448 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17448 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details 'Torsional angle dynamics' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 17448 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 17448 1 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17448 _Software.ID 2 _Software.Name UNIO _Software.Version 2.0.0 _Software.Details 'NMR data analysis for protein structure determination' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 17448 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17448 2 'NOE assignment' 17448 2 'peak picking' 17448 2 'structure solution' 17448 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17448 _Software.ID 3 _Software.Name CARA _Software.Version 1.5.3 _Software.Details 'Chemical shift assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17448 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17448 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17448 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details 'Acquisition and Processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17448 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 17448 4 processing 17448 4 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 17448 _Software.ID 5 _Software.Name OPALp _Software.Version 1.2 _Software.Details 'molecular dynamics' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi,Billeter and Guntert' . . 17448 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'energy refinement' 17448 5 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 17448 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17448 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17448 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17448 1 2 spectrometer_2 Bruker Avance . 800 . . . 17448 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 17448 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17448 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17448 1 3 '4D APSY - HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17448 1 4 '5D APSY - HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17448 1 5 '5D APSY - CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17448 1 6 '15N resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17448 1 7 '13Cali resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17448 1 8 '13Caro resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17448 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 17448 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17448 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17448 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17448 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 17448 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.024 _Assigned_chem_shift_list.Chem_shift_13C_err 0.13 _Assigned_chem_shift_list.Chem_shift_15N_err 0.12 _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 6 '15N resolved [1H,1H]-NOESY' . . . 17448 1 7 '13Cali resolved [1H,1H]-NOESY' . . . 17448 1 8 '13Caro resolved [1H,1H]-NOESY' . . . 17448 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 MET HA H 1 4.514 0.024 . 1 . . . A 2 MET HA . 17448 1 2 . 1 1 2 2 MET HB2 H 1 2.104 0.024 . 2 . . . A 2 MET HB2 . 17448 1 3 . 1 1 2 2 MET HB3 H 1 2.104 0.024 . 2 . . . A 2 MET HB3 . 17448 1 4 . 1 1 2 2 MET C C 13 177.109 0.13 . 1 . . . A 2 MET C . 17448 1 5 . 1 1 2 2 MET CA C 13 55.596 0.13 . 1 . . . A 2 MET CA . 17448 1 6 . 1 1 2 2 MET CB C 13 32.970 0.13 . 1 . . . A 2 MET CB . 17448 1 7 . 1 1 3 3 GLY H H 1 8.648 0.024 . 1 . . . . 3 GLY H . 17448 1 8 . 1 1 3 3 GLY HA2 H 1 4.016 0.024 . 2 . . . A 3 GLY HA2 . 17448 1 9 . 1 1 3 3 GLY HA3 H 1 4.016 0.024 . 2 . . . . 3 GLY QA . 17448 1 10 . 1 1 3 3 GLY C C 13 174.691 0.13 . 1 . . . A 3 GLY C . 17448 1 11 . 1 1 3 3 GLY CA C 13 45.340 0.13 . 1 . . . A 3 GLY CA . 17448 1 12 . 1 1 3 3 GLY N N 15 109.993 0.12 . 1 . . . A 3 GLY N . 17448 1 13 . 1 1 4 4 THR H H 1 8.128 0.024 . 1 . . . . 4 THR H . 17448 1 14 . 1 1 4 4 THR HA H 1 4.418 0.024 . 1 . . . A 4 THR HA . 17448 1 15 . 1 1 4 4 THR HB H 1 4.257 0.024 . 1 . . . A 4 THR HB . 17448 1 16 . 1 1 4 4 THR HG21 H 1 1.184 0.024 . 1 . . . A 4 THR HG21 . 17448 1 17 . 1 1 4 4 THR HG22 H 1 1.184 0.024 . 1 . . . A 4 THR HG22 . 17448 1 18 . 1 1 4 4 THR HG23 H 1 1.184 0.024 . 1 . . . A 4 THR HG23 . 17448 1 19 . 1 1 4 4 THR C C 13 175.387 0.13 . 1 . . . A 4 THR C . 17448 1 20 . 1 1 4 4 THR CA C 13 61.683 0.13 . 1 . . . A 4 THR CA . 17448 1 21 . 1 1 4 4 THR CB C 13 69.661 0.13 . 1 . . . A 4 THR CB . 17448 1 22 . 1 1 4 4 THR CG2 C 13 21.606 0.13 . 1 . . . A 4 THR CG2 . 17448 1 23 . 1 1 4 4 THR N N 15 112.912 0.12 . 1 . . . A 4 THR N . 17448 1 24 . 1 1 5 5 THR H H 1 8.262 0.024 . 1 . . . . 5 THR H . 17448 1 25 . 1 1 5 5 THR HA H 1 4.333 0.024 . 1 . . . A 5 THR HA . 17448 1 26 . 1 1 5 5 THR HB H 1 4.221 0.024 . 1 . . . A 5 THR HB . 17448 1 27 . 1 1 5 5 THR HG21 H 1 1.184 0.024 . 1 . . . A 5 THR HG21 . 17448 1 28 . 1 1 5 5 THR HG22 H 1 1.184 0.024 . 1 . . . A 5 THR HG22 . 17448 1 29 . 1 1 5 5 THR HG23 H 1 1.184 0.024 . 1 . . . A 5 THR HG23 . 17448 1 30 . 1 1 5 5 THR C C 13 175.064 0.13 . 1 . . . A 5 THR C . 17448 1 31 . 1 1 5 5 THR CA C 13 62.006 0.13 . 1 . . . A 5 THR CA . 17448 1 32 . 1 1 5 5 THR CB C 13 69.574 0.13 . 1 . . . A 5 THR CB . 17448 1 33 . 1 1 5 5 THR CG2 C 13 21.628 0.13 . 1 . . . A 5 THR CG2 . 17448 1 34 . 1 1 5 5 THR N N 15 115.415 0.12 . 1 . . . A 5 THR N . 17448 1 35 . 1 1 6 6 GLU H H 1 8.433 0.024 . 1 . . . . 6 GLU H . 17448 1 36 . 1 1 6 6 GLU HA H 1 4.263 0.024 . 1 . . . A 6 GLU HA . 17448 1 37 . 1 1 6 6 GLU HB2 H 1 1.923 0.024 . 2 . . . A 6 GLU HB2 . 17448 1 38 . 1 1 6 6 GLU HB3 H 1 2.023 0.024 . 2 . . . A 6 GLU HB3 . 17448 1 39 . 1 1 6 6 GLU HG2 H 1 2.252 0.024 . 2 . . . A 6 GLU HG2 . 17448 1 40 . 1 1 6 6 GLU HG3 H 1 2.236 0.024 . 2 . . . A 6 GLU HG3 . 17448 1 41 . 1 1 6 6 GLU C C 13 176.943 0.13 . 1 . . . A 6 GLU C . 17448 1 42 . 1 1 6 6 GLU CA C 13 56.608 0.13 . 1 . . . A 6 GLU CA . 17448 1 43 . 1 1 6 6 GLU CB C 13 30.208 0.13 . 1 . . . A 6 GLU CB . 17448 1 44 . 1 1 6 6 GLU CG C 13 36.166 0.13 . 1 . . . A 6 GLU CG . 17448 1 45 . 1 1 6 6 GLU N N 15 122.895 0.12 . 1 . . . A 6 GLU N . 17448 1 46 . 1 1 7 7 LYS H H 1 8.396 0.024 . 1 . . . . 7 LYS H . 17448 1 47 . 1 1 7 7 LYS HA H 1 4.320 0.024 . 1 . . . A 7 LYS HA . 17448 1 48 . 1 1 7 7 LYS HB2 H 1 1.744 0.024 . 2 . . . A 7 LYS HB2 . 17448 1 49 . 1 1 7 7 LYS HB3 H 1 1.845 0.024 . 2 . . . A 7 LYS HB3 . 17448 1 50 . 1 1 7 7 LYS HG2 H 1 1.439 0.024 . 2 . . . A 7 LYS HG2 . 17448 1 51 . 1 1 7 7 LYS HG3 H 1 1.401 0.024 . 2 . . . A 7 LYS HG3 . 17448 1 52 . 1 1 7 7 LYS C C 13 177.061 0.13 . 1 . . . A 7 LYS C . 17448 1 53 . 1 1 7 7 LYS CA C 13 56.257 0.13 . 1 . . . A 7 LYS CA . 17448 1 54 . 1 1 7 7 LYS CB C 13 32.911 0.13 . 1 . . . A 7 LYS CB . 17448 1 55 . 1 1 7 7 LYS CG C 13 24.723 0.13 . 1 . . . A 7 LYS CG . 17448 1 56 . 1 1 7 7 LYS N N 15 121.720 0.12 . 1 . . . A 7 LYS N . 17448 1 57 . 1 1 8 8 SER H H 1 8.368 0.024 . 1 . . . . 8 SER H . 17448 1 58 . 1 1 8 8 SER HA H 1 4.402 0.024 . 1 . . . A 8 SER HA . 17448 1 59 . 1 1 8 8 SER HB2 H 1 3.885 0.024 . 2 . . . A 8 SER HB2 . 17448 1 60 . 1 1 8 8 SER HB3 H 1 3.862 0.024 . 2 . . . A 8 SER HB3 . 17448 1 61 . 1 1 8 8 SER C C 13 175.434 0.13 . 1 . . . A 8 SER C . 17448 1 62 . 1 1 8 8 SER CA C 13 58.457 0.13 . 1 . . . A 8 SER CA . 17448 1 63 . 1 1 8 8 SER CB C 13 63.728 0.13 . 1 . . . A 8 SER CB . 17448 1 64 . 1 1 8 8 SER N N 15 116.188 0.12 . 1 . . . A 8 SER N . 17448 1 65 . 1 1 9 9 GLY H H 1 8.411 0.024 . 1 . . . . 9 GLY H . 17448 1 66 . 1 1 9 9 GLY HA2 H 1 3.992 0.024 . 2 . . . A 9 GLY HA2 . 17448 1 67 . 1 1 9 9 GLY HA3 H 1 3.920 0.024 . 2 . . . . 9 GLY HA3 . 17448 1 68 . 1 1 9 9 GLY C C 13 174.231 0.13 . 1 . . . A 9 GLY C . 17448 1 69 . 1 1 9 9 GLY CA C 13 45.219 0.13 . 1 . . . A 9 GLY CA . 17448 1 70 . 1 1 9 9 GLY N N 15 110.065 0.12 . 1 . . . A 9 GLY N . 17448 1 71 . 1 1 10 10 ILE H H 1 7.977 0.024 . 1 . . . . 10 ILE H . 17448 1 72 . 1 1 10 10 ILE HA H 1 4.101 0.024 . 1 . . . A 10 ILE HA . 17448 1 73 . 1 1 10 10 ILE HB H 1 1.788 0.024 . 1 . . . A 10 ILE HB . 17448 1 74 . 1 1 10 10 ILE HG12 H 1 1.501 0.024 . 2 . . . A 10 ILE HG12 . 17448 1 75 . 1 1 10 10 ILE HG13 H 1 1.140 0.024 . 2 . . . A 10 ILE HG13 . 17448 1 76 . 1 1 10 10 ILE HG21 H 1 0.870 0.024 . 1 . . . A 10 ILE HG21 . 17448 1 77 . 1 1 10 10 ILE HG22 H 1 0.870 0.024 . 1 . . . A 10 ILE HG22 . 17448 1 78 . 1 1 10 10 ILE HG23 H 1 0.870 0.024 . 1 . . . A 10 ILE HG23 . 17448 1 79 . 1 1 10 10 ILE HD11 H 1 0.855 0.024 . 1 . . . A 10 ILE HD11 . 17448 1 80 . 1 1 10 10 ILE HD12 H 1 0.855 0.024 . 1 . . . A 10 ILE HD12 . 17448 1 81 . 1 1 10 10 ILE HD13 H 1 0.855 0.024 . 1 . . . A 10 ILE HD13 . 17448 1 82 . 1 1 10 10 ILE C C 13 176.312 0.13 . 1 . . . A 10 ILE C . 17448 1 83 . 1 1 10 10 ILE CA C 13 61.486 0.13 . 1 . . . A 10 ILE CA . 17448 1 84 . 1 1 10 10 ILE CB C 13 38.886 0.13 . 1 . . . A 10 ILE CB . 17448 1 85 . 1 1 10 10 ILE CG1 C 13 27.470 0.13 . 1 . . . A 10 ILE CG1 . 17448 1 86 . 1 1 10 10 ILE CG2 C 13 17.727 0.13 . 1 . . . A 10 ILE CG2 . 17448 1 87 . 1 1 10 10 ILE CD1 C 13 13.659 0.13 . 1 . . . A 10 ILE CD1 . 17448 1 88 . 1 1 10 10 ILE N N 15 119.759 0.12 . 1 . . . A 10 ILE N . 17448 1 89 . 1 1 11 11 LYS H H 1 8.887 0.024 . 1 . . . . 11 LYS H . 17448 1 90 . 1 1 11 11 LYS HA H 1 4.459 0.024 . 1 . . . A 11 LYS HA . 17448 1 91 . 1 1 11 11 LYS HB2 H 1 1.846 0.024 . 2 . . . A 11 LYS HB2 . 17448 1 92 . 1 1 11 11 LYS HB3 H 1 1.790 0.024 . 2 . . . A 11 LYS HB3 . 17448 1 93 . 1 1 11 11 LYS HG2 H 1 1.374 0.024 . 2 . . . A 11 LYS HG2 . 17448 1 94 . 1 1 11 11 LYS HG3 H 1 1.461 0.024 . 2 . . . A 11 LYS HG3 . 17448 1 95 . 1 1 11 11 LYS HD2 H 1 1.630 0.024 . 2 . . . A 11 LYS HD2 . 17448 1 96 . 1 1 11 11 LYS HD3 H 1 1.630 0.024 . 2 . . . A 11 LYS HD3 . 17448 1 97 . 1 1 11 11 LYS HE2 H 1 2.958 0.024 . 2 . . . A 11 LYS HE2 . 17448 1 98 . 1 1 11 11 LYS HE3 H 1 2.958 0.024 . 2 . . . A 11 LYS HE3 . 17448 1 99 . 1 1 11 11 LYS C C 13 175.670 0.13 . 1 . . . A 11 LYS C . 17448 1 100 . 1 1 11 11 LYS CA C 13 56.028 0.13 . 1 . . . A 11 LYS CA . 17448 1 101 . 1 1 11 11 LYS CB C 13 33.495 0.13 . 1 . . . A 11 LYS CB . 17448 1 102 . 1 1 11 11 LYS CG C 13 24.700 0.13 . 1 . . . A 11 LYS CG . 17448 1 103 . 1 1 11 11 LYS CD C 13 28.953 0.13 . 1 . . . A 11 LYS CD . 17448 1 104 . 1 1 11 11 LYS CE C 13 42.192 0.13 . 1 . . . A 11 LYS CE . 17448 1 105 . 1 1 11 11 LYS N N 15 124.781 0.12 . 1 . . . A 11 LYS N . 17448 1 106 . 1 1 12 12 GLU H H 1 7.686 0.024 . 1 . . . . 12 GLU H . 17448 1 107 . 1 1 12 12 GLU HA H 1 5.314 0.024 . 1 . . . A 12 GLU HA . 17448 1 108 . 1 1 12 12 GLU HB2 H 1 1.870 0.024 . 2 . . . A 12 GLU HB2 . 17448 1 109 . 1 1 12 12 GLU HB3 H 1 1.870 0.024 . 2 . . . A 12 GLU HB3 . 17448 1 110 . 1 1 12 12 GLU HG2 H 1 1.968 0.024 . 2 . . . A 12 GLU HG2 . 17448 1 111 . 1 1 12 12 GLU HG3 H 1 1.968 0.024 . 2 . . . A 12 GLU HG3 . 17448 1 112 . 1 1 12 12 GLU C C 13 174.985 0.13 . 1 . . . A 12 GLU C . 17448 1 113 . 1 1 12 12 GLU CA C 13 54.523 0.13 . 1 . . . A 12 GLU CA . 17448 1 114 . 1 1 12 12 GLU CB C 13 33.829 0.13 . 1 . . . A 12 GLU CB . 17448 1 115 . 1 1 12 12 GLU CG C 13 36.149 0.13 . 1 . . . A 12 GLU CG . 17448 1 116 . 1 1 12 12 GLU N N 15 119.914 0.12 . 1 . . . A 12 GLU N . 17448 1 117 . 1 1 13 13 ILE H H 1 8.489 0.024 . 1 . . . . 13 ILE H . 17448 1 118 . 1 1 13 13 ILE HA H 1 4.893 0.024 . 1 . . . A 13 ILE HA . 17448 1 119 . 1 1 13 13 ILE HB H 1 1.898 0.024 . 1 . . . A 13 ILE HB . 17448 1 120 . 1 1 13 13 ILE HG12 H 1 1.425 0.024 . 2 . . . A 13 ILE HG12 . 17448 1 121 . 1 1 13 13 ILE HG13 H 1 1.144 0.024 . 2 . . . A 13 ILE HG13 . 17448 1 122 . 1 1 13 13 ILE HG21 H 1 0.891 0.024 . 1 . . . A 13 ILE HG21 . 17448 1 123 . 1 1 13 13 ILE HG22 H 1 0.891 0.024 . 1 . . . A 13 ILE HG22 . 17448 1 124 . 1 1 13 13 ILE HG23 H 1 0.891 0.024 . 1 . . . A 13 ILE HG23 . 17448 1 125 . 1 1 13 13 ILE HD11 H 1 0.849 0.024 . 1 . . . A 13 ILE HD11 . 17448 1 126 . 1 1 13 13 ILE HD12 H 1 0.849 0.024 . 1 . . . A 13 ILE HD12 . 17448 1 127 . 1 1 13 13 ILE HD13 H 1 0.849 0.024 . 1 . . . A 13 ILE HD13 . 17448 1 128 . 1 1 13 13 ILE C C 13 174.486 0.13 . 1 . . . A 13 ILE C . 17448 1 129 . 1 1 13 13 ILE CA C 13 58.860 0.13 . 1 . . . A 13 ILE CA . 17448 1 130 . 1 1 13 13 ILE CB C 13 41.710 0.13 . 1 . . . A 13 ILE CB . 17448 1 131 . 1 1 13 13 ILE CG1 C 13 26.047 0.13 . 1 . . . A 13 ILE CG1 . 17448 1 132 . 1 1 13 13 ILE CG2 C 13 19.441 0.13 . 1 . . . A 13 ILE CG2 . 17448 1 133 . 1 1 13 13 ILE CD1 C 13 14.674 0.13 . 1 . . . A 13 ILE CD1 . 17448 1 134 . 1 1 13 13 ILE N N 15 113.633 0.12 . 1 . . . A 13 ILE N . 17448 1 135 . 1 1 14 14 ILE H H 1 9.283 0.024 . 1 . . . . 14 ILE H . 17448 1 136 . 1 1 14 14 ILE HA H 1 4.737 0.024 . 1 . . . A 14 ILE HA . 17448 1 137 . 1 1 14 14 ILE HB H 1 1.725 0.024 . 1 . . . A 14 ILE HB . 17448 1 138 . 1 1 14 14 ILE HG12 H 1 1.299 0.024 . 2 . . . A 14 ILE HG12 . 17448 1 139 . 1 1 14 14 ILE HG13 H 1 0.955 0.024 . 2 . . . A 14 ILE HG13 . 17448 1 140 . 1 1 14 14 ILE HG21 H 1 0.592 0.024 . 1 . . . A 14 ILE HG21 . 17448 1 141 . 1 1 14 14 ILE HG22 H 1 0.592 0.024 . 1 . . . A 14 ILE HG22 . 17448 1 142 . 1 1 14 14 ILE HG23 H 1 0.592 0.024 . 1 . . . A 14 ILE HG23 . 17448 1 143 . 1 1 14 14 ILE HD11 H 1 0.695 0.024 . 1 . . . A 14 ILE HD11 . 17448 1 144 . 1 1 14 14 ILE HD12 H 1 0.695 0.024 . 1 . . . A 14 ILE HD12 . 17448 1 145 . 1 1 14 14 ILE HD13 H 1 0.695 0.024 . 1 . . . A 14 ILE HD13 . 17448 1 146 . 1 1 14 14 ILE C C 13 175.507 0.13 . 1 . . . A 14 ILE C . 17448 1 147 . 1 1 14 14 ILE CA C 13 59.554 0.13 . 1 . . . A 14 ILE CA . 17448 1 148 . 1 1 14 14 ILE CB C 13 40.449 0.13 . 1 . . . A 14 ILE CB . 17448 1 149 . 1 1 14 14 ILE CG1 C 13 28.215 0.13 . 1 . . . A 14 ILE CG1 . 17448 1 150 . 1 1 14 14 ILE CG2 C 13 18.794 0.13 . 1 . . . A 14 ILE CG2 . 17448 1 151 . 1 1 14 14 ILE CD1 C 13 13.407 0.13 . 1 . . . A 14 ILE CD1 . 17448 1 152 . 1 1 14 14 ILE N N 15 120.875 0.12 . 1 . . . A 14 ILE N . 17448 1 153 . 1 1 15 15 ILE H H 1 9.268 0.024 . 1 . . . . 15 ILE H . 17448 1 154 . 1 1 15 15 ILE HA H 1 4.360 0.024 . 1 . . . A 15 ILE HA . 17448 1 155 . 1 1 15 15 ILE HB H 1 2.153 0.024 . 1 . . . A 15 ILE HB . 17448 1 156 . 1 1 15 15 ILE HG12 H 1 1.708 0.024 . 2 . . . A 15 ILE HG12 . 17448 1 157 . 1 1 15 15 ILE HG13 H 1 0.857 0.024 . 2 . . . A 15 ILE HG13 . 17448 1 158 . 1 1 15 15 ILE HG21 H 1 0.815 0.024 . 1 . . . A 15 ILE HG21 . 17448 1 159 . 1 1 15 15 ILE HG22 H 1 0.815 0.024 . 1 . . . A 15 ILE HG22 . 17448 1 160 . 1 1 15 15 ILE HG23 H 1 0.815 0.024 . 1 . . . A 15 ILE HG23 . 17448 1 161 . 1 1 15 15 ILE HD11 H 1 0.824 0.024 . 1 . . . A 15 ILE HD11 . 17448 1 162 . 1 1 15 15 ILE HD12 H 1 0.824 0.024 . 1 . . . A 15 ILE HD12 . 17448 1 163 . 1 1 15 15 ILE HD13 H 1 0.824 0.024 . 1 . . . A 15 ILE HD13 . 17448 1 164 . 1 1 15 15 ILE C C 13 175.945 0.13 . 1 . . . A 15 ILE C . 17448 1 165 . 1 1 15 15 ILE CA C 13 61.026 0.13 . 1 . . . A 15 ILE CA . 17448 1 166 . 1 1 15 15 ILE CB C 13 38.451 0.13 . 1 . . . A 15 ILE CB . 17448 1 167 . 1 1 15 15 ILE CG1 C 13 27.349 0.13 . 1 . . . A 15 ILE CG1 . 17448 1 168 . 1 1 15 15 ILE CG2 C 13 19.827 0.13 . 1 . . . A 15 ILE CG2 . 17448 1 169 . 1 1 15 15 ILE CD1 C 13 14.196 0.13 . 1 . . . A 15 ILE CD1 . 17448 1 170 . 1 1 15 15 ILE N N 15 125.933 0.12 . 1 . . . A 15 ILE N . 17448 1 171 . 1 1 16 16 GLN H H 1 9.253 0.024 . 1 . . . . 16 GLN H . 17448 1 172 . 1 1 16 16 GLN HA H 1 4.727 0.024 . 1 . . . A 16 GLN HA . 17448 1 173 . 1 1 16 16 GLN HB2 H 1 2.288 0.024 . 2 . . . A 16 GLN HB2 . 17448 1 174 . 1 1 16 16 GLN HB3 H 1 1.995 0.024 . 2 . . . A 16 GLN HB3 . 17448 1 175 . 1 1 16 16 GLN HG2 H 1 2.217 0.024 . 2 . . . A 16 GLN HG2 . 17448 1 176 . 1 1 16 16 GLN HG3 H 1 2.411 0.024 . 2 . . . A 16 GLN HG3 . 17448 1 177 . 1 1 16 16 GLN HE21 H 1 6.996 0.024 . 2 . . . A 16 GLN HE21 . 17448 1 178 . 1 1 16 16 GLN HE22 H 1 6.872 0.024 . 2 . . . A 16 GLN HE22 . 17448 1 179 . 1 1 16 16 GLN C C 13 176.479 0.13 . 1 . . . A 16 GLN C . 17448 1 180 . 1 1 16 16 GLN CA C 13 55.232 0.13 . 1 . . . A 16 GLN CA . 17448 1 181 . 1 1 16 16 GLN CB C 13 32.513 0.13 . 1 . . . A 16 GLN CB . 17448 1 182 . 1 1 16 16 GLN CG C 13 35.506 0.13 . 1 . . . A 16 GLN CG . 17448 1 183 . 1 1 16 16 GLN N N 15 127.943 0.12 . 1 . . . A 16 GLN N . 17448 1 184 . 1 1 16 16 GLN NE2 N 15 109.851 0.12 . 1 . . . A 16 GLN NE2 . 17448 1 185 . 1 1 17 17 GLY H H 1 7.595 0.024 . 1 . . . . 17 GLY H . 17448 1 186 . 1 1 17 17 GLY HA2 H 1 4.523 0.024 . 2 . . . A 17 GLY HA2 . 17448 1 187 . 1 1 17 17 GLY HA3 H 1 4.365 0.024 . 2 . . . . 17 GLY HA3 . 17448 1 188 . 1 1 17 17 GLY C C 13 174.629 0.13 . 1 . . . A 17 GLY C . 17448 1 189 . 1 1 17 17 GLY CA C 13 47.495 0.13 . 1 . . . A 17 GLY CA . 17448 1 190 . 1 1 17 17 GLY N N 15 108.861 0.12 . 1 . . . A 17 GLY N . 17448 1 191 . 1 1 18 18 LEU H H 1 7.936 0.024 . 1 . . . . 18 LEU H . 17448 1 192 . 1 1 18 18 LEU HA H 1 5.029 0.024 . 1 . . . A 18 LEU HA . 17448 1 193 . 1 1 18 18 LEU HB2 H 1 1.374 0.024 . 2 . . . A 18 LEU HB2 . 17448 1 194 . 1 1 18 18 LEU HB3 H 1 1.374 0.024 . 2 . . . A 18 LEU HB3 . 17448 1 195 . 1 1 18 18 LEU HG H 1 1.513 0.024 . 1 . . . A 18 LEU HG . 17448 1 196 . 1 1 18 18 LEU HD11 H 1 0.798 0.024 . 2 . . . A 18 LEU HD11 . 17448 1 197 . 1 1 18 18 LEU HD12 H 1 0.798 0.024 . 2 . . . A 18 LEU HD12 . 17448 1 198 . 1 1 18 18 LEU HD13 H 1 0.798 0.024 . 2 . . . A 18 LEU HD13 . 17448 1 199 . 1 1 18 18 LEU HD21 H 1 0.812 0.024 . 2 . . . A 18 LEU HD21 . 17448 1 200 . 1 1 18 18 LEU HD22 H 1 0.812 0.024 . 2 . . . A 18 LEU HD22 . 17448 1 201 . 1 1 18 18 LEU HD23 H 1 0.812 0.024 . 2 . . . A 18 LEU HD23 . 17448 1 202 . 1 1 18 18 LEU C C 13 175.447 0.13 . 1 . . . A 18 LEU C . 17448 1 203 . 1 1 18 18 LEU CA C 13 53.148 0.13 . 1 . . . A 18 LEU CA . 17448 1 204 . 1 1 18 18 LEU CB C 13 47.030 0.13 . 1 . . . A 18 LEU CB . 17448 1 205 . 1 1 18 18 LEU CG C 13 26.788 0.13 . 1 . . . A 18 LEU CG . 17448 1 206 . 1 1 18 18 LEU CD1 C 13 25.014 0.13 . 2 . . . A 18 LEU CD1 . 17448 1 207 . 1 1 18 18 LEU CD2 C 13 24.080 0.13 . 2 . . . A 18 LEU CD2 . 17448 1 208 . 1 1 18 18 LEU N N 15 123.588 0.12 . 1 . . . A 18 LEU N . 17448 1 209 . 1 1 19 19 THR H H 1 9.123 0.024 . 1 . . . . 19 THR H . 17448 1 210 . 1 1 19 19 THR HA H 1 5.012 0.024 . 1 . . . A 19 THR HA . 17448 1 211 . 1 1 19 19 THR HB H 1 4.747 0.024 . 1 . . . A 19 THR HB . 17448 1 212 . 1 1 19 19 THR HG21 H 1 1.313 0.024 . 1 . . . A 19 THR HG21 . 17448 1 213 . 1 1 19 19 THR HG22 H 1 1.313 0.024 . 1 . . . A 19 THR HG22 . 17448 1 214 . 1 1 19 19 THR HG23 H 1 1.313 0.024 . 1 . . . A 19 THR HG23 . 17448 1 215 . 1 1 19 19 THR C C 13 178.049 0.13 . 1 . . . A 19 THR C . 17448 1 216 . 1 1 19 19 THR CA C 13 60.298 0.13 . 1 . . . A 19 THR CA . 17448 1 217 . 1 1 19 19 THR CB C 13 72.404 0.13 . 1 . . . A 19 THR CB . 17448 1 218 . 1 1 19 19 THR CG2 C 13 21.501 0.13 . 1 . . . A 19 THR CG2 . 17448 1 219 . 1 1 19 19 THR N N 15 110.947 0.12 . 1 . . . A 19 THR N . 17448 1 220 . 1 1 20 20 ARG H H 1 8.858 0.024 . 1 . . . . 20 ARG H . 17448 1 221 . 1 1 20 20 ARG HA H 1 4.100 0.024 . 1 . . . A 20 ARG HA . 17448 1 222 . 1 1 20 20 ARG HB2 H 1 1.822 0.024 . 2 . . . A 20 ARG HB2 . 17448 1 223 . 1 1 20 20 ARG HB3 H 1 1.923 0.024 . 2 . . . A 20 ARG HB3 . 17448 1 224 . 1 1 20 20 ARG HG2 H 1 1.635 0.024 . 2 . . . A 20 ARG HG2 . 17448 1 225 . 1 1 20 20 ARG HG3 H 1 1.594 0.024 . 2 . . . A 20 ARG HG3 . 17448 1 226 . 1 1 20 20 ARG HD2 H 1 3.177 0.024 . 2 . . . A 20 ARG HD2 . 17448 1 227 . 1 1 20 20 ARG HD3 H 1 3.247 0.024 . 2 . . . A 20 ARG HD3 . 17448 1 228 . 1 1 20 20 ARG HE H 1 7.180 0.024 . 1 . . . A 20 ARG HE . 17448 1 229 . 1 1 20 20 ARG C C 13 176.933 0.13 . 1 . . . A 20 ARG C . 17448 1 230 . 1 1 20 20 ARG CA C 13 58.809 0.13 . 1 . . . A 20 ARG CA . 17448 1 231 . 1 1 20 20 ARG CB C 13 29.794 0.13 . 1 . . . A 20 ARG CB . 17448 1 232 . 1 1 20 20 ARG CG C 13 28.003 0.13 . 1 . . . A 20 ARG CG . 17448 1 233 . 1 1 20 20 ARG CD C 13 43.236 0.13 . 1 . . . A 20 ARG CD . 17448 1 234 . 1 1 20 20 ARG N N 15 120.643 0.12 . 1 . . . A 20 ARG N . 17448 1 235 . 1 1 20 20 ARG NE N 15 84.242 0.12 . 1 . . . A 20 ARG NE . 17448 1 236 . 1 1 21 21 ALA H H 1 7.616 0.024 . 1 . . . . 21 ALA H . 17448 1 237 . 1 1 21 21 ALA HA H 1 4.434 0.024 . 1 . . . A 21 ALA HA . 17448 1 238 . 1 1 21 21 ALA HB1 H 1 1.388 0.024 . 1 . . . A 21 ALA HB1 . 17448 1 239 . 1 1 21 21 ALA HB2 H 1 1.388 0.024 . 1 . . . A 21 ALA HB2 . 17448 1 240 . 1 1 21 21 ALA HB3 H 1 1.388 0.024 . 1 . . . A 21 ALA HB3 . 17448 1 241 . 1 1 21 21 ALA C C 13 177.469 0.13 . 1 . . . A 21 ALA C . 17448 1 242 . 1 1 21 21 ALA CA C 13 51.779 0.13 . 1 . . . A 21 ALA CA . 17448 1 243 . 1 1 21 21 ALA CB C 13 18.917 0.13 . 1 . . . A 21 ALA CB . 17448 1 244 . 1 1 21 21 ALA N N 15 117.806 0.12 . 1 . . . A 21 ALA N . 17448 1 245 . 1 1 22 22 GLY H H 1 8.328 0.024 . 1 . . . . 22 GLY H . 17448 1 246 . 1 1 22 22 GLY HA2 H 1 4.188 0.024 . 2 . . . A 22 GLY HA2 . 17448 1 247 . 1 1 22 22 GLY HA3 H 1 3.594 0.024 . 2 . . . . 22 GLY HA3 . 17448 1 248 . 1 1 22 22 GLY C C 13 173.827 0.13 . 1 . . . A 22 GLY C . 17448 1 249 . 1 1 22 22 GLY CA C 13 45.379 0.13 . 1 . . . A 22 GLY CA . 17448 1 250 . 1 1 22 22 GLY N N 15 107.054 0.12 . 1 . . . A 22 GLY N . 17448 1 251 . 1 1 23 23 LYS H H 1 7.295 0.024 . 1 . . . . 23 LYS H . 17448 1 252 . 1 1 23 23 LYS HA H 1 4.815 0.024 . 1 . . . A 23 LYS HA . 17448 1 253 . 1 1 23 23 LYS HB2 H 1 1.845 0.024 . 2 . . . A 23 LYS HB2 . 17448 1 254 . 1 1 23 23 LYS HB3 H 1 1.707 0.024 . 2 . . . A 23 LYS HB3 . 17448 1 255 . 1 1 23 23 LYS HG2 H 1 1.283 0.024 . 2 . . . A 23 LYS HG2 . 17448 1 256 . 1 1 23 23 LYS HG3 H 1 1.401 0.024 . 2 . . . A 23 LYS HG3 . 17448 1 257 . 1 1 23 23 LYS HD2 H 1 1.635 0.024 . 2 . . . A 23 LYS HD2 . 17448 1 258 . 1 1 23 23 LYS HD3 H 1 1.635 0.024 . 2 . . . A 23 LYS HD3 . 17448 1 259 . 1 1 23 23 LYS HE2 H 1 2.952 0.024 . 2 . . . A 23 LYS HE2 . 17448 1 260 . 1 1 23 23 LYS HE3 H 1 2.952 0.024 . 2 . . . A 23 LYS HE3 . 17448 1 261 . 1 1 23 23 LYS CA C 13 52.675 0.13 . 1 . . . A 23 LYS CA . 17448 1 262 . 1 1 23 23 LYS CB C 13 32.654 0.13 . 1 . . . A 23 LYS CB . 17448 1 263 . 1 1 23 23 LYS CG C 13 24.720 0.13 . 1 . . . A 23 LYS CG . 17448 1 264 . 1 1 23 23 LYS CD C 13 28.645 0.13 . 1 . . . A 23 LYS CD . 17448 1 265 . 1 1 23 23 LYS CE C 13 42.202 0.13 . 1 . . . A 23 LYS CE . 17448 1 266 . 1 1 23 23 LYS N N 15 118.625 0.12 . 1 . . . A 23 LYS N . 17448 1 267 . 1 1 24 24 PRO HA H 1 4.658 0.024 . 1 . . . A 24 PRO HA . 17448 1 268 . 1 1 24 24 PRO HB2 H 1 2.406 0.024 . 2 . . . A 24 PRO HB2 . 17448 1 269 . 1 1 24 24 PRO HB3 H 1 1.883 0.024 . 2 . . . A 24 PRO HB3 . 17448 1 270 . 1 1 24 24 PRO HG2 H 1 2.017 0.024 . 2 . . . A 24 PRO HG2 . 17448 1 271 . 1 1 24 24 PRO HG3 H 1 2.183 0.024 . 2 . . . A 24 PRO HG3 . 17448 1 272 . 1 1 24 24 PRO HD2 H 1 3.656 0.024 . 2 . . . A 24 PRO HD2 . 17448 1 273 . 1 1 24 24 PRO HD3 H 1 3.997 0.024 . 2 . . . A 24 PRO HD3 . 17448 1 274 . 1 1 24 24 PRO C C 13 176.722 0.13 . 1 . . . A 24 PRO C . 17448 1 275 . 1 1 24 24 PRO CA C 13 63.157 0.13 . 1 . . . A 24 PRO CA . 17448 1 276 . 1 1 24 24 PRO CB C 13 32.008 0.13 . 1 . . . A 24 PRO CB . 17448 1 277 . 1 1 24 24 PRO CG C 13 27.910 0.13 . 1 . . . A 24 PRO CG . 17448 1 278 . 1 1 24 24 PRO CD C 13 50.526 0.13 . 1 . . . A 24 PRO CD . 17448 1 279 . 1 1 25 25 PHE H H 1 7.968 0.024 . 1 . . . . 25 PHE H . 17448 1 280 . 1 1 25 25 PHE HA H 1 4.497 0.024 . 1 . . . A 25 PHE HA . 17448 1 281 . 1 1 25 25 PHE HB2 H 1 2.439 0.024 . 2 . . . A 25 PHE HB2 . 17448 1 282 . 1 1 25 25 PHE HB3 H 1 2.401 0.024 . 2 . . . A 25 PHE HB3 . 17448 1 283 . 1 1 25 25 PHE HD1 H 1 6.550 0.024 . 3 . . . A 25 PHE HD1 . 17448 1 284 . 1 1 25 25 PHE HD2 H 1 6.550 0.024 . 3 . . . A 25 PHE HD2 . 17448 1 285 . 1 1 25 25 PHE HE1 H 1 7.003 0.024 . 3 . . . A 25 PHE HE1 . 17448 1 286 . 1 1 25 25 PHE HE2 H 1 7.003 0.024 . 3 . . . A 25 PHE HE2 . 17448 1 287 . 1 1 25 25 PHE HZ H 1 6.937 0.024 . 1 . . . A 25 PHE HZ . 17448 1 288 . 1 1 25 25 PHE C C 13 174.604 0.13 . 1 . . . A 25 PHE C . 17448 1 289 . 1 1 25 25 PHE CA C 13 57.759 0.13 . 1 . . . A 25 PHE CA . 17448 1 290 . 1 1 25 25 PHE CB C 13 40.538 0.13 . 1 . . . A 25 PHE CB . 17448 1 291 . 1 1 25 25 PHE CD1 C 13 131.414 0.13 . 3 . . . A 25 PHE CD1 . 17448 1 292 . 1 1 25 25 PHE CD2 C 13 131.410 0.13 . 3 . . . A 25 PHE CD2 . 17448 1 293 . 1 1 25 25 PHE CE1 C 13 131.387 0.13 . 3 . . . A 25 PHE CE1 . 17448 1 294 . 1 1 25 25 PHE CE2 C 13 131.387 0.13 . 3 . . . A 25 PHE CE2 . 17448 1 295 . 1 1 25 25 PHE CZ C 13 129.667 0.13 . 1 . . . A 25 PHE CZ . 17448 1 296 . 1 1 25 25 PHE N N 15 124.402 0.12 . 1 . . . A 25 PHE N . 17448 1 297 . 1 1 26 26 ARG H H 1 7.396 0.024 . 1 . . . . 26 ARG H . 17448 1 298 . 1 1 26 26 ARG HA H 1 4.320 0.024 . 1 . . . A 26 ARG HA . 17448 1 299 . 1 1 26 26 ARG HB2 H 1 1.445 0.024 . 2 . . . A 26 ARG HB2 . 17448 1 300 . 1 1 26 26 ARG HB3 H 1 1.681 0.024 . 2 . . . A 26 ARG HB3 . 17448 1 301 . 1 1 26 26 ARG HG2 H 1 1.546 0.024 . 2 . . . A 26 ARG HG2 . 17448 1 302 . 1 1 26 26 ARG HG3 H 1 1.546 0.024 . 2 . . . A 26 ARG HG3 . 17448 1 303 . 1 1 26 26 ARG HD2 H 1 3.166 0.024 . 2 . . . A 26 ARG HD2 . 17448 1 304 . 1 1 26 26 ARG HD3 H 1 3.110 0.024 . 2 . . . A 26 ARG HD3 . 17448 1 305 . 1 1 26 26 ARG HE H 1 7.435 0.024 . 1 . . . A 26 ARG HE . 17448 1 306 . 1 1 26 26 ARG CA C 13 52.505 0.13 . 1 . . . A 26 ARG CA . 17448 1 307 . 1 1 26 26 ARG CB C 13 31.419 0.13 . 1 . . . A 26 ARG CB . 17448 1 308 . 1 1 26 26 ARG CG C 13 27.230 0.13 . 1 . . . A 26 ARG CG . 17448 1 309 . 1 1 26 26 ARG CD C 13 43.316 0.13 . 1 . . . A 26 ARG CD . 17448 1 310 . 1 1 26 26 ARG N N 15 127.321 0.12 . 1 . . . A 26 ARG N . 17448 1 311 . 1 1 26 26 ARG NE N 15 84.239 0.12 . 1 . . . A 26 ARG NE . 17448 1 312 . 1 1 27 27 PRO HA H 1 4.591 0.024 . 1 . . . A 27 PRO HA . 17448 1 313 . 1 1 27 27 PRO HB2 H 1 2.447 0.024 . 2 . . . A 27 PRO HB2 . 17448 1 314 . 1 1 27 27 PRO HB3 H 1 2.447 0.024 . 2 . . . A 27 PRO HB3 . 17448 1 315 . 1 1 27 27 PRO HG2 H 1 1.992 0.024 . 2 . . . A 27 PRO HG2 . 17448 1 316 . 1 1 27 27 PRO HG3 H 1 1.992 0.024 . 2 . . . A 27 PRO HG3 . 17448 1 317 . 1 1 27 27 PRO HD2 H 1 3.475 0.024 . 2 . . . A 27 PRO HD2 . 17448 1 318 . 1 1 27 27 PRO HD3 H 1 3.345 0.024 . 2 . . . A 27 PRO HD3 . 17448 1 319 . 1 1 27 27 PRO C C 13 177.901 0.13 . 1 . . . A 27 PRO C . 17448 1 320 . 1 1 27 27 PRO CA C 13 61.915 0.13 . 1 . . . A 27 PRO CA . 17448 1 321 . 1 1 27 27 PRO CB C 13 35.053 0.13 . 1 . . . A 27 PRO CB . 17448 1 322 . 1 1 27 27 PRO CG C 13 25.338 0.13 . 1 . . . A 27 PRO CG . 17448 1 323 . 1 1 27 27 PRO CD C 13 50.174 0.13 . 1 . . . A 27 PRO CD . 17448 1 324 . 1 1 28 28 SER H H 1 9.183 0.024 . 1 . . . . 28 SER H . 17448 1 325 . 1 1 28 28 SER HA H 1 4.686 0.024 . 1 . . . A 28 SER HA . 17448 1 326 . 1 1 28 28 SER HB2 H 1 4.177 0.024 . 2 . . . A 28 SER HB2 . 17448 1 327 . 1 1 28 28 SER HB3 H 1 4.108 0.024 . 2 . . . A 28 SER HB3 . 17448 1 328 . 1 1 28 28 SER C C 13 174.718 0.13 . 1 . . . A 28 SER C . 17448 1 329 . 1 1 28 28 SER CA C 13 60.720 0.13 . 1 . . . A 28 SER CA . 17448 1 330 . 1 1 28 28 SER CB C 13 63.322 0.13 . 1 . . . A 28 SER CB . 17448 1 331 . 1 1 28 28 SER N N 15 116.121 0.12 . 1 . . . A 28 SER N . 17448 1 332 . 1 1 29 29 ASP H H 1 8.083 0.024 . 1 . . . . 29 ASP H . 17448 1 333 . 1 1 29 29 ASP HA H 1 4.613 0.024 . 1 . . . A 29 ASP HA . 17448 1 334 . 1 1 29 29 ASP HB2 H 1 3.107 0.024 . 2 . . . A 29 ASP HB2 . 17448 1 335 . 1 1 29 29 ASP HB3 H 1 2.624 0.024 . 2 . . . A 29 ASP HB3 . 17448 1 336 . 1 1 29 29 ASP CA C 13 53.620 0.13 . 1 . . . A 29 ASP CA . 17448 1 337 . 1 1 29 29 ASP CB C 13 39.620 0.13 . 1 . . . A 29 ASP CB . 17448 1 338 . 1 1 29 29 ASP N N 15 117.613 0.12 . 1 . . . A 29 ASP N . 17448 1 339 . 1 1 30 30 TRP H H 1 7.779 0.024 . 1 . . . . 30 TRP H . 17448 1 340 . 1 1 30 30 TRP HA H 1 4.194 0.024 . 1 . . . A 30 TRP HA . 17448 1 341 . 1 1 30 30 TRP HB2 H 1 3.656 0.024 . 2 . . . A 30 TRP HB2 . 17448 1 342 . 1 1 30 30 TRP HB3 H 1 3.522 0.024 . 2 . . . A 30 TRP HB3 . 17448 1 343 . 1 1 30 30 TRP HD1 H 1 8.122 0.024 . 1 . . . A 30 TRP HD1 . 17448 1 344 . 1 1 30 30 TRP HE1 H 1 10.344 0.024 . 1 . . . A 30 TRP HE1 . 17448 1 345 . 1 1 30 30 TRP HE3 H 1 7.143 0.024 . 1 . . . A 30 TRP HE3 . 17448 1 346 . 1 1 30 30 TRP HZ2 H 1 7.210 0.024 . 1 . . . A 30 TRP HZ2 . 17448 1 347 . 1 1 30 30 TRP HZ3 H 1 6.649 0.024 . 1 . . . A 30 TRP HZ3 . 17448 1 348 . 1 1 30 30 TRP HH2 H 1 6.989 0.024 . 1 . . . A 30 TRP HH2 . 17448 1 349 . 1 1 30 30 TRP C C 13 177.592 0.13 . 1 . . . A 30 TRP C . 17448 1 350 . 1 1 30 30 TRP CA C 13 59.917 0.13 . 1 . . . A 30 TRP CA . 17448 1 351 . 1 1 30 30 TRP CB C 13 27.218 0.13 . 1 . . . A 30 TRP CB . 17448 1 352 . 1 1 30 30 TRP CD1 C 13 128.563 0.13 . 1 . . . A 30 TRP CD1 . 17448 1 353 . 1 1 30 30 TRP CE3 C 13 120.386 0.13 . 1 . . . A 30 TRP CE3 . 17448 1 354 . 1 1 30 30 TRP CZ2 C 13 114.458 0.13 . 1 . . . A 30 TRP CZ2 . 17448 1 355 . 1 1 30 30 TRP CZ3 C 13 120.329 0.13 . 1 . . . A 30 TRP CZ3 . 17448 1 356 . 1 1 30 30 TRP CH2 C 13 124.725 0.13 . 1 . . . A 30 TRP CH2 . 17448 1 357 . 1 1 30 30 TRP N N 15 119.735 0.12 . 1 . . . A 30 TRP N . 17448 1 358 . 1 1 30 30 TRP NE1 N 15 128.793 0.12 . 1 . . . A 30 TRP NE1 . 17448 1 359 . 1 1 31 31 VAL H H 1 6.147 0.024 . 1 . . . . 31 VAL H . 17448 1 360 . 1 1 31 31 VAL HA H 1 2.470 0.024 . 1 . . . A 31 VAL HA . 17448 1 361 . 1 1 31 31 VAL HB H 1 1.247 0.024 . 1 . . . A 31 VAL HB . 17448 1 362 . 1 1 31 31 VAL HG11 H 1 -0.660 0.024 . 2 . . . A 31 VAL HG11 . 17448 1 363 . 1 1 31 31 VAL HG12 H 1 -0.660 0.024 . 2 . . . A 31 VAL HG12 . 17448 1 364 . 1 1 31 31 VAL HG13 H 1 -0.660 0.024 . 2 . . . A 31 VAL HG13 . 17448 1 365 . 1 1 31 31 VAL HG21 H 1 0.416 0.024 . 2 . . . A 31 VAL HG21 . 17448 1 366 . 1 1 31 31 VAL HG22 H 1 0.416 0.024 . 2 . . . A 31 VAL HG22 . 17448 1 367 . 1 1 31 31 VAL HG23 H 1 0.416 0.024 . 2 . . . A 31 VAL HG23 . 17448 1 368 . 1 1 31 31 VAL C C 13 177.487 0.13 . 1 . . . A 31 VAL C . 17448 1 369 . 1 1 31 31 VAL CA C 13 66.519 0.13 . 1 . . . A 31 VAL CA . 17448 1 370 . 1 1 31 31 VAL CB C 13 31.497 0.13 . 1 . . . A 31 VAL CB . 17448 1 371 . 1 1 31 31 VAL CG1 C 13 20.150 0.13 . 2 . . . A 31 VAL CG1 . 17448 1 372 . 1 1 31 31 VAL CG2 C 13 21.149 0.13 . 2 . . . A 31 VAL CG2 . 17448 1 373 . 1 1 31 31 VAL N N 15 120.262 0.12 . 1 . . . A 31 VAL N . 17448 1 374 . 1 1 32 32 ASP H H 1 7.128 0.024 . 1 . . . . 32 ASP H . 17448 1 375 . 1 1 32 32 ASP HA H 1 4.160 0.024 . 1 . . . A 32 ASP HA . 17448 1 376 . 1 1 32 32 ASP HB2 H 1 2.625 0.024 . 2 . . . A 32 ASP HB2 . 17448 1 377 . 1 1 32 32 ASP HB3 H 1 2.676 0.024 . 2 . . . A 32 ASP HB3 . 17448 1 378 . 1 1 32 32 ASP C C 13 179.532 0.13 . 1 . . . A 32 ASP C . 17448 1 379 . 1 1 32 32 ASP CA C 13 57.081 0.13 . 1 . . . A 32 ASP CA . 17448 1 380 . 1 1 32 32 ASP CB C 13 40.552 0.13 . 1 . . . A 32 ASP CB . 17448 1 381 . 1 1 32 32 ASP N N 15 118.749 0.12 . 1 . . . A 32 ASP N . 17448 1 382 . 1 1 33 33 ARG H H 1 8.096 0.024 . 1 . . . . 33 ARG H . 17448 1 383 . 1 1 33 33 ARG HA H 1 4.040 0.024 . 1 . . . A 33 ARG HA . 17448 1 384 . 1 1 33 33 ARG HB2 H 1 1.880 0.024 . 2 . . . A 33 ARG HB2 . 17448 1 385 . 1 1 33 33 ARG HB3 H 1 1.880 0.024 . 2 . . . A 33 ARG HB3 . 17448 1 386 . 1 1 33 33 ARG HG2 H 1 1.650 0.024 . 2 . . . A 33 ARG HG2 . 17448 1 387 . 1 1 33 33 ARG HG3 H 1 1.547 0.024 . 2 . . . A 33 ARG HG3 . 17448 1 388 . 1 1 33 33 ARG HD2 H 1 3.113 0.024 . 2 . . . A 33 ARG HD2 . 17448 1 389 . 1 1 33 33 ARG HD3 H 1 3.113 0.024 . 2 . . . A 33 ARG HD3 . 17448 1 390 . 1 1 33 33 ARG HE H 1 7.126 0.024 . 1 . . . A 33 ARG HE . 17448 1 391 . 1 1 33 33 ARG C C 13 180.372 0.13 . 1 . . . A 33 ARG C . 17448 1 392 . 1 1 33 33 ARG CA C 13 59.072 0.13 . 1 . . . A 33 ARG CA . 17448 1 393 . 1 1 33 33 ARG CB C 13 29.666 0.13 . 1 . . . A 33 ARG CB . 17448 1 394 . 1 1 33 33 ARG CG C 13 27.625 0.13 . 1 . . . A 33 ARG CG . 17448 1 395 . 1 1 33 33 ARG CD C 13 43.289 0.13 . 1 . . . A 33 ARG CD . 17448 1 396 . 1 1 33 33 ARG N N 15 119.254 0.12 . 1 . . . A 33 ARG N . 17448 1 397 . 1 1 33 33 ARG NE N 15 84.288 0.12 . 1 . . . A 33 ARG NE . 17448 1 398 . 1 1 34 34 MET H H 1 8.386 0.024 . 1 . . . . 34 MET H . 17448 1 399 . 1 1 34 34 MET HA H 1 4.380 0.024 . 1 . . . A 34 MET HA . 17448 1 400 . 1 1 34 34 MET HB2 H 1 2.280 0.024 . 2 . . . A 34 MET HB2 . 17448 1 401 . 1 1 34 34 MET HB3 H 1 1.836 0.024 . 2 . . . A 34 MET HB3 . 17448 1 402 . 1 1 34 34 MET HG2 H 1 2.375 0.024 . 2 . . . A 34 MET HG2 . 17448 1 403 . 1 1 34 34 MET HG3 H 1 2.745 0.024 . 2 . . . A 34 MET HG3 . 17448 1 404 . 1 1 34 34 MET HE1 H 1 1.380 0.024 . 1 . . . A 34 MET HE1 . 17448 1 405 . 1 1 34 34 MET HE2 H 1 1.380 0.024 . 1 . . . A 34 MET HE2 . 17448 1 406 . 1 1 34 34 MET HE3 H 1 1.380 0.024 . 1 . . . A 34 MET HE3 . 17448 1 407 . 1 1 34 34 MET C C 13 178.958 0.13 . 1 . . . A 34 MET C . 17448 1 408 . 1 1 34 34 MET CA C 13 57.343 0.13 . 1 . . . A 34 MET CA . 17448 1 409 . 1 1 34 34 MET CB C 13 31.733 0.13 . 1 . . . A 34 MET CB . 17448 1 410 . 1 1 34 34 MET CG C 13 32.976 0.13 . 1 . . . A 34 MET CG . 17448 1 411 . 1 1 34 34 MET CE C 13 17.303 0.13 . 1 . . . A 34 MET CE . 17448 1 412 . 1 1 34 34 MET N N 15 118.712 0.12 . 1 . . . A 34 MET N . 17448 1 413 . 1 1 35 35 CYS H H 1 8.086 0.024 . 1 . . . . 35 CYS H . 17448 1 414 . 1 1 35 35 CYS HA H 1 4.131 0.024 . 1 . . . A 35 CYS HA . 17448 1 415 . 1 1 35 35 CYS HB2 H 1 3.082 0.024 . 2 . . . A 35 CYS HB2 . 17448 1 416 . 1 1 35 35 CYS HB3 H 1 2.634 0.024 . 2 . . . A 35 CYS HB3 . 17448 1 417 . 1 1 35 35 CYS C C 13 178.186 0.13 . 1 . . . A 35 CYS C . 17448 1 418 . 1 1 35 35 CYS CA C 13 64.362 0.13 . 1 . . . A 35 CYS CA . 17448 1 419 . 1 1 35 35 CYS CB C 13 26.620 0.13 . 1 . . . A 35 CYS CB . 17448 1 420 . 1 1 35 35 CYS N N 15 115.512 0.12 . 1 . . . A 35 CYS N . 17448 1 421 . 1 1 36 36 SER H H 1 8.177 0.024 . 1 . . . . 36 SER H . 17448 1 422 . 1 1 36 36 SER HA H 1 4.147 0.024 . 1 . . . A 36 SER HA . 17448 1 423 . 1 1 36 36 SER HB2 H 1 3.992 0.024 . 2 . . . A 36 SER HB2 . 17448 1 424 . 1 1 36 36 SER HB3 H 1 3.942 0.024 . 2 . . . A 36 SER HB3 . 17448 1 425 . 1 1 36 36 SER C C 13 176.526 0.13 . 1 . . . A 36 SER C . 17448 1 426 . 1 1 36 36 SER CA C 13 61.837 0.13 . 1 . . . A 36 SER CA . 17448 1 427 . 1 1 36 36 SER CB C 13 62.641 0.13 . 1 . . . A 36 SER CB . 17448 1 428 . 1 1 36 36 SER N N 15 113.619 0.12 . 1 . . . A 36 SER N . 17448 1 429 . 1 1 37 37 THR H H 1 7.999 0.024 . 1 . . . . 37 THR H . 17448 1 430 . 1 1 37 37 THR HA H 1 3.862 0.024 . 1 . . . A 37 THR HA . 17448 1 431 . 1 1 37 37 THR HB H 1 4.110 0.024 . 1 . . . A 37 THR HB . 17448 1 432 . 1 1 37 37 THR HG21 H 1 0.743 0.024 . 1 . . . A 37 THR HG21 . 17448 1 433 . 1 1 37 37 THR HG22 H 1 0.743 0.024 . 1 . . . A 37 THR HG22 . 17448 1 434 . 1 1 37 37 THR HG23 H 1 0.743 0.024 . 1 . . . A 37 THR HG23 . 17448 1 435 . 1 1 37 37 THR C C 13 175.269 0.13 . 1 . . . A 37 THR C . 17448 1 436 . 1 1 37 37 THR CA C 13 66.029 0.13 . 1 . . . A 37 THR CA . 17448 1 437 . 1 1 37 37 THR CB C 13 68.947 0.13 . 1 . . . A 37 THR CB . 17448 1 438 . 1 1 37 37 THR CG2 C 13 20.848 0.13 . 1 . . . A 37 THR CG2 . 17448 1 439 . 1 1 37 37 THR N N 15 117.507 0.12 . 1 . . . A 37 THR N . 17448 1 440 . 1 1 38 38 TYR H H 1 7.246 0.024 . 1 . . . . 38 TYR H . 17448 1 441 . 1 1 38 38 TYR HA H 1 4.471 0.024 . 1 . . . A 38 TYR HA . 17448 1 442 . 1 1 38 38 TYR HB2 H 1 3.358 0.024 . 2 . . . A 38 TYR HB2 . 17448 1 443 . 1 1 38 38 TYR HB3 H 1 2.690 0.024 . 2 . . . A 38 TYR HB3 . 17448 1 444 . 1 1 38 38 TYR HD1 H 1 7.289 0.024 . 3 . . . A 38 TYR HD1 . 17448 1 445 . 1 1 38 38 TYR HD2 H 1 7.289 0.024 . 3 . . . A 38 TYR HD2 . 17448 1 446 . 1 1 38 38 TYR HE1 H 1 6.676 0.024 . 3 . . . A 38 TYR HE1 . 17448 1 447 . 1 1 38 38 TYR HE2 H 1 6.676 0.024 . 3 . . . A 38 TYR HE2 . 17448 1 448 . 1 1 38 38 TYR C C 13 174.736 0.13 . 1 . . . A 38 TYR C . 17448 1 449 . 1 1 38 38 TYR CA C 13 58.831 0.13 . 1 . . . A 38 TYR CA . 17448 1 450 . 1 1 38 38 TYR CB C 13 38.139 0.13 . 1 . . . A 38 TYR CB . 17448 1 451 . 1 1 38 38 TYR CD1 C 13 133.074 0.13 . 3 . . . A 38 TYR CD1 . 17448 1 452 . 1 1 38 38 TYR CD2 C 13 133.070 0.13 . 3 . . . A 38 TYR CD2 . 17448 1 453 . 1 1 38 38 TYR CE1 C 13 117.658 0.13 . 3 . . . A 38 TYR CE1 . 17448 1 454 . 1 1 38 38 TYR CE2 C 13 117.660 0.13 . 3 . . . A 38 TYR CE2 . 17448 1 455 . 1 1 38 38 TYR N N 15 116.445 0.12 . 1 . . . A 38 TYR N . 17448 1 456 . 1 1 39 39 ALA H H 1 7.057 0.024 . 1 . . . . 39 ALA H . 17448 1 457 . 1 1 39 39 ALA HA H 1 4.480 0.024 . 1 . . . A 39 ALA HA . 17448 1 458 . 1 1 39 39 ALA HB1 H 1 1.161 0.024 . 1 . . . A 39 ALA HB1 . 17448 1 459 . 1 1 39 39 ALA HB2 H 1 1.161 0.024 . 1 . . . A 39 ALA HB2 . 17448 1 460 . 1 1 39 39 ALA HB3 H 1 1.161 0.024 . 1 . . . A 39 ALA HB3 . 17448 1 461 . 1 1 39 39 ALA C C 13 176.703 0.13 . 1 . . . A 39 ALA C . 17448 1 462 . 1 1 39 39 ALA CA C 13 51.894 0.13 . 1 . . . A 39 ALA CA . 17448 1 463 . 1 1 39 39 ALA CB C 13 20.289 0.13 . 1 . . . A 39 ALA CB . 17448 1 464 . 1 1 39 39 ALA N N 15 122.288 0.12 . 1 . . . A 39 ALA N . 17448 1 465 . 1 1 40 40 SER H H 1 8.357 0.024 . 1 . . . . 40 SER H . 17448 1 466 . 1 1 40 40 SER HA H 1 4.620 0.024 . 1 . . . A 40 SER HA . 17448 1 467 . 1 1 40 40 SER HB2 H 1 3.803 0.024 . 2 . . . A 40 SER HB2 . 17448 1 468 . 1 1 40 40 SER HB3 H 1 3.803 0.024 . 2 . . . A 40 SER HB3 . 17448 1 469 . 1 1 40 40 SER C C 13 173.538 0.13 . 1 . . . A 40 SER C . 17448 1 470 . 1 1 40 40 SER CA C 13 57.016 0.13 . 1 . . . A 40 SER CA . 17448 1 471 . 1 1 40 40 SER CB C 13 65.429 0.13 . 1 . . . A 40 SER CB . 17448 1 472 . 1 1 40 40 SER N N 15 112.983 0.12 . 1 . . . A 40 SER N . 17448 1 473 . 1 1 41 41 PHE H H 1 8.649 0.024 . 1 . . . . 41 PHE H . 17448 1 474 . 1 1 41 41 PHE HA H 1 4.756 0.024 . 1 . . . A 41 PHE HA . 17448 1 475 . 1 1 41 41 PHE HB2 H 1 2.872 0.024 . 2 . . . A 41 PHE HB2 . 17448 1 476 . 1 1 41 41 PHE HB3 H 1 2.942 0.024 . 2 . . . A 41 PHE HB3 . 17448 1 477 . 1 1 41 41 PHE HD1 H 1 7.045 0.024 . 3 . . . A 41 PHE HD1 . 17448 1 478 . 1 1 41 41 PHE HD2 H 1 7.045 0.024 . 3 . . . A 41 PHE HD2 . 17448 1 479 . 1 1 41 41 PHE HE1 H 1 7.253 0.024 . 3 . . . A 41 PHE HE1 . 17448 1 480 . 1 1 41 41 PHE HE2 H 1 7.253 0.024 . 3 . . . A 41 PHE HE2 . 17448 1 481 . 1 1 41 41 PHE HZ H 1 7.220 0.024 . 1 . . . A 41 PHE HZ . 17448 1 482 . 1 1 41 41 PHE C C 13 177.251 0.13 . 1 . . . A 41 PHE C . 17448 1 483 . 1 1 41 41 PHE CA C 13 58.010 0.13 . 1 . . . A 41 PHE CA . 17448 1 484 . 1 1 41 41 PHE CB C 13 40.721 0.13 . 1 . . . A 41 PHE CB . 17448 1 485 . 1 1 41 41 PHE CD1 C 13 131.545 0.13 . 3 . . . A 41 PHE CD1 . 17448 1 486 . 1 1 41 41 PHE CD2 C 13 131.543 0.13 . 3 . . . A 41 PHE CD2 . 17448 1 487 . 1 1 41 41 PHE CE1 C 13 131.530 0.13 . 3 . . . A 41 PHE CE1 . 17448 1 488 . 1 1 41 41 PHE CE2 C 13 131.533 0.13 . 3 . . . A 41 PHE CE2 . 17448 1 489 . 1 1 41 41 PHE CZ C 13 129.800 0.13 . 1 . . . A 41 PHE CZ . 17448 1 490 . 1 1 41 41 PHE N N 15 120.672 0.12 . 1 . . . A 41 PHE N . 17448 1 491 . 1 1 42 42 GLY H H 1 8.436 0.024 . 1 . . . . 42 GLY H . 17448 1 492 . 1 1 42 42 GLY HA2 H 1 4.369 0.024 . 2 . . . A 42 GLY HA2 . 17448 1 493 . 1 1 42 42 GLY HA3 H 1 3.894 0.024 . 2 . . . . 42 GLY HA3 . 17448 1 494 . 1 1 42 42 GLY C C 13 175.643 0.13 . 1 . . . A 42 GLY C . 17448 1 495 . 1 1 42 42 GLY CA C 13 44.156 0.13 . 1 . . . A 42 GLY CA . 17448 1 496 . 1 1 42 42 GLY N N 15 109.469 0.12 . 1 . . . A 42 GLY N . 17448 1 497 . 1 1 43 43 ALA H H 1 8.785 0.024 . 1 . . . . 43 ALA H . 17448 1 498 . 1 1 43 43 ALA HA H 1 4.159 0.024 . 1 . . . A 43 ALA HA . 17448 1 499 . 1 1 43 43 ALA HB1 H 1 1.427 0.024 . 1 . . . A 43 ALA HB1 . 17448 1 500 . 1 1 43 43 ALA HB2 H 1 1.427 0.024 . 1 . . . A 43 ALA HB2 . 17448 1 501 . 1 1 43 43 ALA HB3 H 1 1.427 0.024 . 1 . . . A 43 ALA HB3 . 17448 1 502 . 1 1 43 43 ALA C C 13 178.328 0.13 . 1 . . . A 43 ALA C . 17448 1 503 . 1 1 43 43 ALA CA C 13 54.203 0.13 . 1 . . . A 43 ALA CA . 17448 1 504 . 1 1 43 43 ALA CB C 13 18.361 0.13 . 1 . . . A 43 ALA CB . 17448 1 505 . 1 1 43 43 ALA N N 15 123.985 0.12 . 1 . . . A 43 ALA N . 17448 1 506 . 1 1 44 44 ASP H H 1 8.227 0.024 . 1 . . . . 44 ASP H . 17448 1 507 . 1 1 44 44 ASP HA H 1 4.385 0.024 . 1 . . . A 44 ASP HA . 17448 1 508 . 1 1 44 44 ASP HB2 H 1 2.903 0.024 . 2 . . . A 44 ASP HB2 . 17448 1 509 . 1 1 44 44 ASP HB3 H 1 2.624 0.024 . 2 . . . A 44 ASP HB3 . 17448 1 510 . 1 1 44 44 ASP C C 13 176.172 0.13 . 1 . . . A 44 ASP C . 17448 1 511 . 1 1 44 44 ASP CA C 13 53.177 0.13 . 1 . . . A 44 ASP CA . 17448 1 512 . 1 1 44 44 ASP CB C 13 39.756 0.13 . 1 . . . A 44 ASP CB . 17448 1 513 . 1 1 44 44 ASP N N 15 114.733 0.12 . 1 . . . A 44 ASP N . 17448 1 514 . 1 1 45 45 ARG H H 1 8.146 0.024 . 1 . . . . 45 ARG H . 17448 1 515 . 1 1 45 45 ARG HA H 1 3.535 0.024 . 1 . . . A 45 ARG HA . 17448 1 516 . 1 1 45 45 ARG HB2 H 1 1.962 0.024 . 2 . . . A 45 ARG HB2 . 17448 1 517 . 1 1 45 45 ARG HB3 H 1 2.017 0.024 . 2 . . . A 45 ARG HB3 . 17448 1 518 . 1 1 45 45 ARG HG2 H 1 1.532 0.024 . 2 . . . A 45 ARG HG2 . 17448 1 519 . 1 1 45 45 ARG HG3 H 1 1.468 0.024 . 2 . . . A 45 ARG HG3 . 17448 1 520 . 1 1 45 45 ARG HD2 H 1 3.099 0.024 . 2 . . . A 45 ARG HD2 . 17448 1 521 . 1 1 45 45 ARG HD3 H 1 3.099 0.024 . 2 . . . A 45 ARG HD3 . 17448 1 522 . 1 1 45 45 ARG HE H 1 7.051 0.024 . 1 . . . A 45 ARG HE . 17448 1 523 . 1 1 45 45 ARG C C 13 175.151 0.13 . 1 . . . A 45 ARG C . 17448 1 524 . 1 1 45 45 ARG CA C 13 57.278 0.13 . 1 . . . A 45 ARG CA . 17448 1 525 . 1 1 45 45 ARG CB C 13 27.064 0.13 . 1 . . . A 45 ARG CB . 17448 1 526 . 1 1 45 45 ARG CG C 13 27.208 0.13 . 1 . . . A 45 ARG CG . 17448 1 527 . 1 1 45 45 ARG CD C 13 43.012 0.13 . 1 . . . A 45 ARG CD . 17448 1 528 . 1 1 45 45 ARG N N 15 112.240 0.12 . 1 . . . A 45 ARG N . 17448 1 529 . 1 1 45 45 ARG NE N 15 83.606 0.12 . 1 . . . A 45 ARG NE . 17448 1 530 . 1 1 46 46 LYS H H 1 7.580 0.024 . 1 . . . . 46 LYS H . 17448 1 531 . 1 1 46 46 LYS HA H 1 4.480 0.024 . 1 . . . A 46 LYS HA . 17448 1 532 . 1 1 46 46 LYS HB2 H 1 1.705 0.024 . 2 . . . A 46 LYS HB2 . 17448 1 533 . 1 1 46 46 LYS HB3 H 1 1.705 0.024 . 2 . . . A 46 LYS HB3 . 17448 1 534 . 1 1 46 46 LYS HG2 H 1 1.335 0.024 . 2 . . . A 46 LYS HG2 . 17448 1 535 . 1 1 46 46 LYS HG3 H 1 1.278 0.024 . 2 . . . A 46 LYS HG3 . 17448 1 536 . 1 1 46 46 LYS HD2 H 1 1.630 0.024 . 2 . . . A 46 LYS HD2 . 17448 1 537 . 1 1 46 46 LYS HD3 H 1 1.630 0.024 . 2 . . . A 46 LYS HD3 . 17448 1 538 . 1 1 46 46 LYS HE2 H 1 2.957 0.024 . 2 . . . A 46 LYS HE2 . 17448 1 539 . 1 1 46 46 LYS HE3 H 1 2.957 0.024 . 2 . . . A 46 LYS HE3 . 17448 1 540 . 1 1 46 46 LYS C C 13 176.927 0.13 . 1 . . . A 46 LYS C . 17448 1 541 . 1 1 46 46 LYS CA C 13 55.233 0.13 . 1 . . . A 46 LYS CA . 17448 1 542 . 1 1 46 46 LYS CB C 13 33.310 0.13 . 1 . . . A 46 LYS CB . 17448 1 543 . 1 1 46 46 LYS CG C 13 25.001 0.13 . 1 . . . A 46 LYS CG . 17448 1 544 . 1 1 46 46 LYS CD C 13 28.954 0.13 . 1 . . . A 46 LYS CD . 17448 1 545 . 1 1 46 46 LYS CE C 13 42.195 0.13 . 1 . . . A 46 LYS CE . 17448 1 546 . 1 1 46 46 LYS N N 15 117.309 0.12 . 1 . . . A 46 LYS N . 17448 1 547 . 1 1 47 47 LEU H H 1 8.494 0.024 . 1 . . . . 47 LEU H . 17448 1 548 . 1 1 47 47 LEU HA H 1 4.034 0.024 . 1 . . . A 47 LEU HA . 17448 1 549 . 1 1 47 47 LEU HB2 H 1 1.304 0.024 . 2 . . . A 47 LEU HB2 . 17448 1 550 . 1 1 47 47 LEU HB3 H 1 1.153 0.024 . 2 . . . A 47 LEU HB3 . 17448 1 551 . 1 1 47 47 LEU HG H 1 1.100 0.024 . 1 . . . A 47 LEU HG . 17448 1 552 . 1 1 47 47 LEU HD11 H 1 0.460 0.024 . 2 . . . A 47 LEU HD11 . 17448 1 553 . 1 1 47 47 LEU HD12 H 1 0.460 0.024 . 2 . . . A 47 LEU HD12 . 17448 1 554 . 1 1 47 47 LEU HD13 H 1 0.460 0.024 . 2 . . . A 47 LEU HD13 . 17448 1 555 . 1 1 47 47 LEU HD21 H 1 0.390 0.024 . 2 . . . A 47 LEU HD21 . 17448 1 556 . 1 1 47 47 LEU HD22 H 1 0.390 0.024 . 2 . . . A 47 LEU HD22 . 17448 1 557 . 1 1 47 47 LEU HD23 H 1 0.390 0.024 . 2 . . . A 47 LEU HD23 . 17448 1 558 . 1 1 47 47 LEU C C 13 176.860 0.13 . 1 . . . A 47 LEU C . 17448 1 559 . 1 1 47 47 LEU CA C 13 55.409 0.13 . 1 . . . A 47 LEU CA . 17448 1 560 . 1 1 47 47 LEU CB C 13 42.528 0.13 . 1 . . . A 47 LEU CB . 17448 1 561 . 1 1 47 47 LEU CG C 13 26.861 0.13 . 1 . . . A 47 LEU CG . 17448 1 562 . 1 1 47 47 LEU CD1 C 13 24.216 0.13 . 2 . . . A 47 LEU CD1 . 17448 1 563 . 1 1 47 47 LEU CD2 C 13 24.200 0.13 . 2 . . . A 47 LEU CD2 . 17448 1 564 . 1 1 47 47 LEU N N 15 124.598 0.12 . 1 . . . A 47 LEU N . 17448 1 565 . 1 1 48 48 ARG H H 1 8.682 0.024 . 1 . . . . 48 ARG H . 17448 1 566 . 1 1 48 48 ARG HA H 1 4.502 0.024 . 1 . . . A 48 ARG HA . 17448 1 567 . 1 1 48 48 ARG HB2 H 1 1.654 0.024 . 2 . . . A 48 ARG HB2 . 17448 1 568 . 1 1 48 48 ARG HB3 H 1 1.705 0.024 . 2 . . . A 48 ARG HB3 . 17448 1 569 . 1 1 48 48 ARG HG2 H 1 1.491 0.024 . 2 . . . A 48 ARG HG2 . 17448 1 570 . 1 1 48 48 ARG HG3 H 1 1.491 0.024 . 2 . . . A 48 ARG HG3 . 17448 1 571 . 1 1 48 48 ARG HD2 H 1 3.110 0.024 . 2 . . . A 48 ARG HD2 . 17448 1 572 . 1 1 48 48 ARG HD3 H 1 3.110 0.024 . 2 . . . A 48 ARG HD3 . 17448 1 573 . 1 1 48 48 ARG C C 13 176.248 0.13 . 1 . . . A 48 ARG C . 17448 1 574 . 1 1 48 48 ARG CA C 13 54.425 0.13 . 1 . . . A 48 ARG CA . 17448 1 575 . 1 1 48 48 ARG CB C 13 31.335 0.13 . 1 . . . A 48 ARG CB . 17448 1 576 . 1 1 48 48 ARG CG C 13 26.923 0.13 . 1 . . . A 48 ARG CG . 17448 1 577 . 1 1 48 48 ARG CD C 13 43.263 0.13 . 1 . . . A 48 ARG CD . 17448 1 578 . 1 1 48 48 ARG N N 15 123.819 0.12 . 1 . . . A 48 ARG N . 17448 1 579 . 1 1 49 49 TYR H H 1 8.573 0.024 . 1 . . . . 49 TYR H . 17448 1 580 . 1 1 49 49 TYR HA H 1 4.267 0.024 . 1 . . . A 49 TYR HA . 17448 1 581 . 1 1 49 49 TYR HB2 H 1 3.302 0.024 . 2 . . . A 49 TYR HB2 . 17448 1 582 . 1 1 49 49 TYR HB3 H 1 2.673 0.024 . 2 . . . A 49 TYR HB3 . 17448 1 583 . 1 1 49 49 TYR HD1 H 1 7.126 0.024 . 3 . . . A 49 TYR HD1 . 17448 1 584 . 1 1 49 49 TYR HD2 H 1 7.126 0.024 . 3 . . . A 49 TYR HD2 . 17448 1 585 . 1 1 49 49 TYR HE1 H 1 6.648 0.024 . 3 . . . A 49 TYR HE1 . 17448 1 586 . 1 1 49 49 TYR HE2 H 1 6.648 0.024 . 3 . . . A 49 TYR HE2 . 17448 1 587 . 1 1 49 49 TYR C C 13 176.652 0.13 . 1 . . . A 49 TYR C . 17448 1 588 . 1 1 49 49 TYR CA C 13 58.657 0.13 . 1 . . . A 49 TYR CA . 17448 1 589 . 1 1 49 49 TYR CB C 13 38.073 0.13 . 1 . . . A 49 TYR CB . 17448 1 590 . 1 1 49 49 TYR CD1 C 13 132.756 0.13 . 3 . . . A 49 TYR CD1 . 17448 1 591 . 1 1 49 49 TYR CD2 C 13 132.760 0.13 . 3 . . . A 49 TYR CD2 . 17448 1 592 . 1 1 49 49 TYR CE1 C 13 117.879 0.13 . 3 . . . A 49 TYR CE1 . 17448 1 593 . 1 1 49 49 TYR CE2 C 13 117.880 0.13 . 3 . . . A 49 TYR CE2 . 17448 1 594 . 1 1 49 49 TYR N N 15 123.464 0.12 . 1 . . . A 49 TYR N . 17448 1 595 . 1 1 50 50 SER H H 1 9.309 0.024 . 1 . . . . 50 SER H . 17448 1 596 . 1 1 50 50 SER HA H 1 4.614 0.024 . 1 . . . A 50 SER HA . 17448 1 597 . 1 1 50 50 SER HB2 H 1 3.856 0.024 . 2 . . . A 50 SER HB2 . 17448 1 598 . 1 1 50 50 SER HB3 H 1 4.161 0.024 . 2 . . . A 50 SER HB3 . 17448 1 599 . 1 1 50 50 SER CA C 13 56.021 0.13 . 1 . . . A 50 SER CA . 17448 1 600 . 1 1 50 50 SER CB C 13 64.545 0.13 . 1 . . . A 50 SER CB . 17448 1 601 . 1 1 50 50 SER N N 15 116.789 0.12 . 1 . . . A 50 SER N . 17448 1 602 . 1 1 51 51 PRO HA H 1 4.419 0.024 . 1 . . . A 51 PRO HA . 17448 1 603 . 1 1 51 51 PRO HB2 H 1 1.336 0.024 . 2 . . . A 51 PRO HB2 . 17448 1 604 . 1 1 51 51 PRO HB3 H 1 2.092 0.024 . 2 . . . A 51 PRO HB3 . 17448 1 605 . 1 1 51 51 PRO HG2 H 1 1.697 0.024 . 2 . . . A 51 PRO HG2 . 17448 1 606 . 1 1 51 51 PRO HG3 H 1 0.810 0.024 . 2 . . . A 51 PRO HG3 . 17448 1 607 . 1 1 51 51 PRO HD2 H 1 3.700 0.024 . 2 . . . A 51 PRO HD2 . 17448 1 608 . 1 1 51 51 PRO HD3 H 1 3.486 0.024 . 2 . . . A 51 PRO HD3 . 17448 1 609 . 1 1 51 51 PRO C C 13 176.710 0.13 . 1 . . . A 51 PRO C . 17448 1 610 . 1 1 51 51 PRO CA C 13 63.230 0.13 . 1 . . . A 51 PRO CA . 17448 1 611 . 1 1 51 51 PRO CB C 13 31.807 0.13 . 1 . . . A 51 PRO CB . 17448 1 612 . 1 1 51 51 PRO CG C 13 25.929 0.13 . 1 . . . A 51 PRO CG . 17448 1 613 . 1 1 51 51 PRO CD C 13 50.758 0.13 . 1 . . . A 51 PRO CD . 17448 1 614 . 1 1 52 52 TYR H H 1 7.703 0.024 . 1 . . . . 52 TYR H . 17448 1 615 . 1 1 52 52 TYR HA H 1 4.769 0.024 . 1 . . . A 52 TYR HA . 17448 1 616 . 1 1 52 52 TYR HB2 H 1 2.647 0.024 . 2 . . . A 52 TYR HB2 . 17448 1 617 . 1 1 52 52 TYR HB3 H 1 3.876 0.024 . 2 . . . A 52 TYR HB3 . 17448 1 618 . 1 1 52 52 TYR HD1 H 1 6.948 0.024 . 3 . . . A 52 TYR HD1 . 17448 1 619 . 1 1 52 52 TYR HD2 H 1 6.948 0.024 . 3 . . . A 52 TYR HD2 . 17448 1 620 . 1 1 52 52 TYR HE1 H 1 6.786 0.024 . 3 . . . A 52 TYR HE1 . 17448 1 621 . 1 1 52 52 TYR HE2 H 1 6.786 0.024 . 3 . . . A 52 TYR HE2 . 17448 1 622 . 1 1 52 52 TYR C C 13 173.832 0.13 . 1 . . . A 52 TYR C . 17448 1 623 . 1 1 52 52 TYR CA C 13 56.223 0.13 . 1 . . . A 52 TYR CA . 17448 1 624 . 1 1 52 52 TYR CB C 13 39.569 0.13 . 1 . . . A 52 TYR CB . 17448 1 625 . 1 1 52 52 TYR CD1 C 13 131.580 0.13 . 3 . . . A 52 TYR CD1 . 17448 1 626 . 1 1 52 52 TYR CD2 C 13 131.576 0.13 . 3 . . . A 52 TYR CD2 . 17448 1 627 . 1 1 52 52 TYR CE1 C 13 118.830 0.13 . 3 . . . A 52 TYR CE1 . 17448 1 628 . 1 1 52 52 TYR CE2 C 13 118.833 0.13 . 3 . . . A 52 TYR CE2 . 17448 1 629 . 1 1 52 52 TYR N N 15 114.501 0.12 . 1 . . . A 52 TYR N . 17448 1 630 . 1 1 53 53 LEU H H 1 6.841 0.024 . 1 . . . . 53 LEU H . 17448 1 631 . 1 1 53 53 LEU HA H 1 5.253 0.024 . 1 . . . A 53 LEU HA . 17448 1 632 . 1 1 53 53 LEU HB2 H 1 1.779 0.024 . 2 . . . A 53 LEU HB2 . 17448 1 633 . 1 1 53 53 LEU HB3 H 1 1.528 0.024 . 2 . . . A 53 LEU HB3 . 17448 1 634 . 1 1 53 53 LEU HG H 1 1.536 0.024 . 1 . . . A 53 LEU HG . 17448 1 635 . 1 1 53 53 LEU HD11 H 1 0.801 0.024 . 2 . . . A 53 LEU HD11 . 17448 1 636 . 1 1 53 53 LEU HD12 H 1 0.801 0.024 . 2 . . . A 53 LEU HD12 . 17448 1 637 . 1 1 53 53 LEU HD13 H 1 0.801 0.024 . 2 . . . A 53 LEU HD13 . 17448 1 638 . 1 1 53 53 LEU HD21 H 1 0.797 0.024 . 2 . . . A 53 LEU HD21 . 17448 1 639 . 1 1 53 53 LEU HD22 H 1 0.797 0.024 . 2 . . . A 53 LEU HD22 . 17448 1 640 . 1 1 53 53 LEU HD23 H 1 0.797 0.024 . 2 . . . A 53 LEU HD23 . 17448 1 641 . 1 1 53 53 LEU C C 13 176.245 0.13 . 1 . . . A 53 LEU C . 17448 1 642 . 1 1 53 53 LEU CA C 13 53.674 0.13 . 1 . . . A 53 LEU CA . 17448 1 643 . 1 1 53 53 LEU CB C 13 44.896 0.13 . 1 . . . A 53 LEU CB . 17448 1 644 . 1 1 53 53 LEU CG C 13 28.248 0.13 . 1 . . . A 53 LEU CG . 17448 1 645 . 1 1 53 53 LEU CD1 C 13 26.553 0.13 . 2 . . . A 53 LEU CD1 . 17448 1 646 . 1 1 53 53 LEU CD2 C 13 25.609 0.13 . 2 . . . A 53 LEU CD2 . 17448 1 647 . 1 1 53 53 LEU N N 15 118.170 0.12 . 1 . . . A 53 LEU N . 17448 1 648 . 1 1 54 54 LYS H H 1 8.854 0.024 . 1 . . . . 54 LYS H . 17448 1 649 . 1 1 54 54 LYS HA H 1 4.936 0.024 . 1 . . . A 54 LYS HA . 17448 1 650 . 1 1 54 54 LYS HB2 H 1 1.745 0.024 . 2 . . . A 54 LYS HB2 . 17448 1 651 . 1 1 54 54 LYS HB3 H 1 1.664 0.024 . 2 . . . A 54 LYS HB3 . 17448 1 652 . 1 1 54 54 LYS HG2 H 1 1.343 0.024 . 2 . . . A 54 LYS HG2 . 17448 1 653 . 1 1 54 54 LYS HG3 H 1 1.257 0.024 . 2 . . . A 54 LYS HG3 . 17448 1 654 . 1 1 54 54 LYS HD2 H 1 1.580 0.024 . 2 . . . A 54 LYS HD2 . 17448 1 655 . 1 1 54 54 LYS HD3 H 1 1.690 0.024 . 2 . . . A 54 LYS HD3 . 17448 1 656 . 1 1 54 54 LYS HE2 H 1 2.930 0.024 . 2 . . . A 54 LYS HE2 . 17448 1 657 . 1 1 54 54 LYS HE3 H 1 2.930 0.024 . 2 . . . A 54 LYS HE3 . 17448 1 658 . 1 1 54 54 LYS CA C 13 52.564 0.13 . 1 . . . A 54 LYS CA . 17448 1 659 . 1 1 54 54 LYS CB C 13 35.167 0.13 . 1 . . . A 54 LYS CB . 17448 1 660 . 1 1 54 54 LYS CG C 13 24.307 0.13 . 1 . . . A 54 LYS CG . 17448 1 661 . 1 1 54 54 LYS CD C 13 29.265 0.13 . 1 . . . A 54 LYS CD . 17448 1 662 . 1 1 54 54 LYS CE C 13 42.292 0.13 . 1 . . . A 54 LYS CE . 17448 1 663 . 1 1 54 54 LYS N N 15 121.550 0.12 . 1 . . . A 54 LYS N . 17448 1 664 . 1 1 55 55 PRO HA H 1 4.583 0.024 . 1 . . . A 55 PRO HA . 17448 1 665 . 1 1 55 55 PRO HB2 H 1 1.978 0.024 . 2 . . . A 55 PRO HB2 . 17448 1 666 . 1 1 55 55 PRO HB3 H 1 1.801 0.024 . 2 . . . A 55 PRO HB3 . 17448 1 667 . 1 1 55 55 PRO HG2 H 1 1.631 0.024 . 2 . . . A 55 PRO HG2 . 17448 1 668 . 1 1 55 55 PRO HG3 H 1 2.002 0.024 . 2 . . . A 55 PRO HG3 . 17448 1 669 . 1 1 55 55 PRO HD2 H 1 3.645 0.024 . 2 . . . A 55 PRO HD2 . 17448 1 670 . 1 1 55 55 PRO HD3 H 1 3.645 0.024 . 2 . . . A 55 PRO HD3 . 17448 1 671 . 1 1 55 55 PRO C C 13 176.978 0.13 . 1 . . . A 55 PRO C . 17448 1 672 . 1 1 55 55 PRO CA C 13 62.459 0.13 . 1 . . . A 55 PRO CA . 17448 1 673 . 1 1 55 55 PRO CB C 13 32.422 0.13 . 1 . . . A 55 PRO CB . 17448 1 674 . 1 1 55 55 PRO CG C 13 27.884 0.13 . 1 . . . A 55 PRO CG . 17448 1 675 . 1 1 55 55 PRO CD C 13 50.754 0.13 . 1 . . . A 55 PRO CD . 17448 1 676 . 1 1 56 56 ARG H H 1 8.463 0.024 . 1 . . . . 56 ARG H . 17448 1 677 . 1 1 56 56 ARG HA H 1 4.554 0.024 . 1 . . . A 56 ARG HA . 17448 1 678 . 1 1 56 56 ARG HB2 H 1 1.522 0.024 . 2 . . . A 56 ARG HB2 . 17448 1 679 . 1 1 56 56 ARG HB3 H 1 1.443 0.024 . 2 . . . A 56 ARG HB3 . 17448 1 680 . 1 1 56 56 ARG HG2 H 1 1.534 0.024 . 2 . . . A 56 ARG HG2 . 17448 1 681 . 1 1 56 56 ARG HG3 H 1 1.534 0.024 . 2 . . . A 56 ARG HG3 . 17448 1 682 . 1 1 56 56 ARG HD2 H 1 2.978 0.024 . 2 . . . A 56 ARG HD2 . 17448 1 683 . 1 1 56 56 ARG HD3 H 1 3.167 0.024 . 2 . . . A 56 ARG HD3 . 17448 1 684 . 1 1 56 56 ARG HE H 1 7.199 0.024 . 1 . . . A 56 ARG HE . 17448 1 685 . 1 1 56 56 ARG C C 13 174.747 0.13 . 1 . . . A 56 ARG C . 17448 1 686 . 1 1 56 56 ARG CA C 13 54.924 0.13 . 1 . . . A 56 ARG CA . 17448 1 687 . 1 1 56 56 ARG CB C 13 35.066 0.13 . 1 . . . A 56 ARG CB . 17448 1 688 . 1 1 56 56 ARG CG C 13 26.677 0.13 . 1 . . . A 56 ARG CG . 17448 1 689 . 1 1 56 56 ARG CD C 13 43.178 0.13 . 1 . . . A 56 ARG CD . 17448 1 690 . 1 1 56 56 ARG N N 15 122.093 0.12 . 1 . . . A 56 ARG N . 17448 1 691 . 1 1 56 56 ARG NE N 15 82.455 0.12 . 1 . . . A 56 ARG NE . 17448 1 692 . 1 1 57 57 VAL H H 1 8.779 0.024 . 1 . . . . 57 VAL H . 17448 1 693 . 1 1 57 57 VAL HA H 1 4.654 0.024 . 1 . . . A 57 VAL HA . 17448 1 694 . 1 1 57 57 VAL HB H 1 1.902 0.024 . 1 . . . A 57 VAL HB . 17448 1 695 . 1 1 57 57 VAL HG11 H 1 0.697 0.024 . 2 . . . A 57 VAL HG11 . 17448 1 696 . 1 1 57 57 VAL HG12 H 1 0.697 0.024 . 2 . . . A 57 VAL HG12 . 17448 1 697 . 1 1 57 57 VAL HG13 H 1 0.697 0.024 . 2 . . . A 57 VAL HG13 . 17448 1 698 . 1 1 57 57 VAL HG21 H 1 0.857 0.024 . 2 . . . A 57 VAL HG21 . 17448 1 699 . 1 1 57 57 VAL HG22 H 1 0.857 0.024 . 2 . . . A 57 VAL HG22 . 17448 1 700 . 1 1 57 57 VAL HG23 H 1 0.857 0.024 . 2 . . . A 57 VAL HG23 . 17448 1 701 . 1 1 57 57 VAL C C 13 176.148 0.13 . 1 . . . A 57 VAL C . 17448 1 702 . 1 1 57 57 VAL CA C 13 62.113 0.13 . 1 . . . A 57 VAL CA . 17448 1 703 . 1 1 57 57 VAL CB C 13 32.231 0.13 . 1 . . . A 57 VAL CB . 17448 1 704 . 1 1 57 57 VAL CG1 C 13 20.990 0.13 . 2 . . . A 57 VAL CG1 . 17448 1 705 . 1 1 57 57 VAL CG2 C 13 21.464 0.13 . 2 . . . A 57 VAL CG2 . 17448 1 706 . 1 1 57 57 VAL N N 15 125.235 0.12 . 1 . . . A 57 VAL N . 17448 1 707 . 1 1 58 58 ILE H H 1 8.620 0.024 . 1 . . . . 58 ILE H . 17448 1 708 . 1 1 58 58 ILE HA H 1 4.286 0.024 . 1 . . . A 58 ILE HA . 17448 1 709 . 1 1 58 58 ILE HB H 1 1.774 0.024 . 1 . . . A 58 ILE HB . 17448 1 710 . 1 1 58 58 ILE HG12 H 1 1.333 0.024 . 2 . . . A 58 ILE HG12 . 17448 1 711 . 1 1 58 58 ILE HG13 H 1 0.968 0.024 . 2 . . . A 58 ILE HG13 . 17448 1 712 . 1 1 58 58 ILE HG21 H 1 0.844 0.024 . 1 . . . A 58 ILE HG21 . 17448 1 713 . 1 1 58 58 ILE HG22 H 1 0.844 0.024 . 1 . . . A 58 ILE HG22 . 17448 1 714 . 1 1 58 58 ILE HG23 H 1 0.844 0.024 . 1 . . . A 58 ILE HG23 . 17448 1 715 . 1 1 58 58 ILE HD11 H 1 0.819 0.024 . 1 . . . A 58 ILE HD11 . 17448 1 716 . 1 1 58 58 ILE HD12 H 1 0.819 0.024 . 1 . . . A 58 ILE HD12 . 17448 1 717 . 1 1 58 58 ILE HD13 H 1 0.819 0.024 . 1 . . . A 58 ILE HD13 . 17448 1 718 . 1 1 58 58 ILE C C 13 176.457 0.13 . 1 . . . A 58 ILE C . 17448 1 719 . 1 1 58 58 ILE CA C 13 60.506 0.13 . 1 . . . A 58 ILE CA . 17448 1 720 . 1 1 58 58 ILE CB C 13 40.133 0.13 . 1 . . . A 58 ILE CB . 17448 1 721 . 1 1 58 58 ILE CG1 C 13 27.081 0.13 . 1 . . . A 58 ILE CG1 . 17448 1 722 . 1 1 58 58 ILE CG2 C 13 17.040 0.13 . 1 . . . A 58 ILE CG2 . 17448 1 723 . 1 1 58 58 ILE CD1 C 13 13.558 0.13 . 1 . . . A 58 ILE CD1 . 17448 1 724 . 1 1 58 58 ILE N N 15 127.398 0.12 . 1 . . . A 58 ILE N . 17448 1 725 . 1 1 59 59 GLU H H 1 9.605 0.024 . 1 . . . . 59 GLU H . 17448 1 726 . 1 1 59 59 GLU HA H 1 3.834 0.024 . 1 . . . A 59 GLU HA . 17448 1 727 . 1 1 59 59 GLU HB2 H 1 2.224 0.024 . 2 . . . A 59 GLU HB2 . 17448 1 728 . 1 1 59 59 GLU HB3 H 1 1.957 0.024 . 2 . . . A 59 GLU HB3 . 17448 1 729 . 1 1 59 59 GLU HG2 H 1 2.302 0.024 . 2 . . . A 59 GLU HG2 . 17448 1 730 . 1 1 59 59 GLU HG3 H 1 2.224 0.024 . 2 . . . A 59 GLU HG3 . 17448 1 731 . 1 1 59 59 GLU C C 13 176.740 0.13 . 1 . . . A 59 GLU C . 17448 1 732 . 1 1 59 59 GLU CA C 13 56.843 0.13 . 1 . . . A 59 GLU CA . 17448 1 733 . 1 1 59 59 GLU CB C 13 27.563 0.13 . 1 . . . A 59 GLU CB . 17448 1 734 . 1 1 59 59 GLU CG C 13 36.418 0.13 . 1 . . . A 59 GLU CG . 17448 1 735 . 1 1 59 59 GLU N N 15 128.132 0.12 . 1 . . . A 59 GLU N . 17448 1 736 . 1 1 60 60 GLY H H 1 8.199 0.024 . 1 . . . . 60 GLY H . 17448 1 737 . 1 1 60 60 GLY HA2 H 1 4.133 0.024 . 2 . . . A 60 GLY HA2 . 17448 1 738 . 1 1 60 60 GLY HA3 H 1 3.469 0.024 . 2 . . . . 60 GLY HA3 . 17448 1 739 . 1 1 60 60 GLY C C 13 174.255 0.13 . 1 . . . A 60 GLY C . 17448 1 740 . 1 1 60 60 GLY CA C 13 45.448 0.13 . 1 . . . A 60 GLY CA . 17448 1 741 . 1 1 60 60 GLY N N 15 101.543 0.12 . 1 . . . A 60 GLY N . 17448 1 742 . 1 1 61 61 VAL H H 1 7.938 0.024 . 1 . . . . 61 VAL H . 17448 1 743 . 1 1 61 61 VAL HA H 1 4.280 0.024 . 1 . . . A 61 VAL HA . 17448 1 744 . 1 1 61 61 VAL HB H 1 2.191 0.024 . 1 . . . A 61 VAL HB . 17448 1 745 . 1 1 61 61 VAL HG11 H 1 0.984 0.024 . 2 . . . A 61 VAL HG11 . 17448 1 746 . 1 1 61 61 VAL HG12 H 1 0.984 0.024 . 2 . . . A 61 VAL HG12 . 17448 1 747 . 1 1 61 61 VAL HG13 H 1 0.984 0.024 . 2 . . . A 61 VAL HG13 . 17448 1 748 . 1 1 61 61 VAL HG21 H 1 1.057 0.024 . 2 . . . A 61 VAL HG21 . 17448 1 749 . 1 1 61 61 VAL HG22 H 1 1.057 0.024 . 2 . . . A 61 VAL HG22 . 17448 1 750 . 1 1 61 61 VAL HG23 H 1 1.057 0.024 . 2 . . . A 61 VAL HG23 . 17448 1 751 . 1 1 61 61 VAL C C 13 176.236 0.13 . 1 . . . A 61 VAL C . 17448 1 752 . 1 1 61 61 VAL CA C 13 61.019 0.13 . 1 . . . A 61 VAL CA . 17448 1 753 . 1 1 61 61 VAL CB C 13 33.815 0.13 . 1 . . . A 61 VAL CB . 17448 1 754 . 1 1 61 61 VAL CG1 C 13 21.501 0.13 . 2 . . . A 61 VAL CG1 . 17448 1 755 . 1 1 61 61 VAL CG2 C 13 21.772 0.13 . 2 . . . A 61 VAL CG2 . 17448 1 756 . 1 1 61 61 VAL N N 15 121.782 0.12 . 1 . . . A 61 VAL N . 17448 1 757 . 1 1 62 62 ARG H H 1 9.382 0.024 . 1 . . . . 62 ARG H . 17448 1 758 . 1 1 62 62 ARG HA H 1 4.356 0.024 . 1 . . . A 62 ARG HA . 17448 1 759 . 1 1 62 62 ARG HB2 H 1 1.860 0.024 . 2 . . . A 62 ARG HB2 . 17448 1 760 . 1 1 62 62 ARG HB3 H 1 1.970 0.024 . 2 . . . A 62 ARG HB3 . 17448 1 761 . 1 1 62 62 ARG HG2 H 1 1.877 0.024 . 2 . . . A 62 ARG HG2 . 17448 1 762 . 1 1 62 62 ARG HG3 H 1 1.513 0.024 . 2 . . . A 62 ARG HG3 . 17448 1 763 . 1 1 62 62 ARG HD2 H 1 3.217 0.024 . 2 . . . A 62 ARG HD2 . 17448 1 764 . 1 1 62 62 ARG HD3 H 1 3.217 0.024 . 2 . . . A 62 ARG HD3 . 17448 1 765 . 1 1 62 62 ARG HE H 1 7.310 0.024 . 1 . . . A 62 ARG HE . 17448 1 766 . 1 1 62 62 ARG C C 13 175.649 0.13 . 1 . . . A 62 ARG C . 17448 1 767 . 1 1 62 62 ARG CA C 13 58.821 0.13 . 1 . . . A 62 ARG CA . 17448 1 768 . 1 1 62 62 ARG CB C 13 29.644 0.13 . 1 . . . A 62 ARG CB . 17448 1 769 . 1 1 62 62 ARG CG C 13 28.138 0.13 . 1 . . . A 62 ARG CG . 17448 1 770 . 1 1 62 62 ARG CD C 13 43.260 0.13 . 1 . . . A 62 ARG CD . 17448 1 771 . 1 1 62 62 ARG N N 15 129.000 0.12 . 1 . . . A 62 ARG N . 17448 1 772 . 1 1 62 62 ARG NE N 15 83.557 0.12 . 1 . . . A 62 ARG NE . 17448 1 773 . 1 1 63 63 CYS H H 1 8.750 0.024 . 1 . . . . 63 CYS H . 17448 1 774 . 1 1 63 63 CYS HA H 1 5.162 0.024 . 1 . . . A 63 CYS HA . 17448 1 775 . 1 1 63 63 CYS HB2 H 1 2.782 0.024 . 2 . . . A 63 CYS HB2 . 17448 1 776 . 1 1 63 63 CYS HB3 H 1 2.782 0.024 . 2 . . . A 63 CYS HB3 . 17448 1 777 . 1 1 63 63 CYS C C 13 172.001 0.13 . 1 . . . A 63 CYS C . 17448 1 778 . 1 1 63 63 CYS CA C 13 57.042 0.13 . 1 . . . A 63 CYS CA . 17448 1 779 . 1 1 63 63 CYS CB C 13 32.294 0.13 . 1 . . . A 63 CYS CB . 17448 1 780 . 1 1 63 63 CYS N N 15 120.370 0.12 . 1 . . . A 63 CYS N . 17448 1 781 . 1 1 64 64 LEU H H 1 9.003 0.024 . 1 . . . . 64 LEU H . 17448 1 782 . 1 1 64 64 LEU HA H 1 4.619 0.024 . 1 . . . A 64 LEU HA . 17448 1 783 . 1 1 64 64 LEU HB2 H 1 2.038 0.024 . 2 . . . A 64 LEU HB2 . 17448 1 784 . 1 1 64 64 LEU HB3 H 1 0.978 0.024 . 2 . . . A 64 LEU HB3 . 17448 1 785 . 1 1 64 64 LEU HG H 1 1.293 0.024 . 1 . . . A 64 LEU HG . 17448 1 786 . 1 1 64 64 LEU HD11 H 1 0.812 0.024 . 2 . . . A 64 LEU HD11 . 17448 1 787 . 1 1 64 64 LEU HD12 H 1 0.812 0.024 . 2 . . . A 64 LEU HD12 . 17448 1 788 . 1 1 64 64 LEU HD13 H 1 0.812 0.024 . 2 . . . A 64 LEU HD13 . 17448 1 789 . 1 1 64 64 LEU HD21 H 1 0.607 0.024 . 2 . . . A 64 LEU HD21 . 17448 1 790 . 1 1 64 64 LEU HD22 H 1 0.607 0.024 . 2 . . . A 64 LEU HD22 . 17448 1 791 . 1 1 64 64 LEU HD23 H 1 0.607 0.024 . 2 . . . A 64 LEU HD23 . 17448 1 792 . 1 1 64 64 LEU C C 13 174.286 0.13 . 1 . . . A 64 LEU C . 17448 1 793 . 1 1 64 64 LEU CA C 13 53.209 0.13 . 1 . . . A 64 LEU CA . 17448 1 794 . 1 1 64 64 LEU CB C 13 46.393 0.13 . 1 . . . A 64 LEU CB . 17448 1 795 . 1 1 64 64 LEU CG C 13 26.904 0.13 . 1 . . . A 64 LEU CG . 17448 1 796 . 1 1 64 64 LEU CD1 C 13 27.128 0.13 . 2 . . . A 64 LEU CD1 . 17448 1 797 . 1 1 64 64 LEU CD2 C 13 23.683 0.13 . 2 . . . A 64 LEU CD2 . 17448 1 798 . 1 1 64 64 LEU N N 15 122.167 0.12 . 1 . . . A 64 LEU N . 17448 1 799 . 1 1 65 65 ALA H H 1 9.034 0.024 . 1 . . . . 65 ALA H . 17448 1 800 . 1 1 65 65 ALA HA H 1 5.027 0.024 . 1 . . . A 65 ALA HA . 17448 1 801 . 1 1 65 65 ALA HB1 H 1 1.279 0.024 . 1 . . . A 65 ALA HB1 . 17448 1 802 . 1 1 65 65 ALA HB2 H 1 1.279 0.024 . 1 . . . A 65 ALA HB2 . 17448 1 803 . 1 1 65 65 ALA HB3 H 1 1.279 0.024 . 1 . . . A 65 ALA HB3 . 17448 1 804 . 1 1 65 65 ALA C C 13 176.807 0.13 . 1 . . . A 65 ALA C . 17448 1 805 . 1 1 65 65 ALA CA C 13 51.194 0.13 . 1 . . . A 65 ALA CA . 17448 1 806 . 1 1 65 65 ALA CB C 13 19.724 0.13 . 1 . . . A 65 ALA CB . 17448 1 807 . 1 1 65 65 ALA N N 15 130.045 0.12 . 1 . . . A 65 ALA N . 17448 1 808 . 1 1 66 66 VAL H H 1 9.368 0.024 . 1 . . . . 66 VAL H . 17448 1 809 . 1 1 66 66 VAL HA H 1 4.753 0.024 . 1 . . . A 66 VAL HA . 17448 1 810 . 1 1 66 66 VAL HB H 1 2.083 0.024 . 1 . . . A 66 VAL HB . 17448 1 811 . 1 1 66 66 VAL HG11 H 1 0.852 0.024 . 2 . . . A 66 VAL HG11 . 17448 1 812 . 1 1 66 66 VAL HG12 H 1 0.852 0.024 . 2 . . . A 66 VAL HG12 . 17448 1 813 . 1 1 66 66 VAL HG13 H 1 0.852 0.024 . 2 . . . A 66 VAL HG13 . 17448 1 814 . 1 1 66 66 VAL HG21 H 1 0.764 0.024 . 2 . . . A 66 VAL HG21 . 17448 1 815 . 1 1 66 66 VAL HG22 H 1 0.764 0.024 . 2 . . . A 66 VAL HG22 . 17448 1 816 . 1 1 66 66 VAL HG23 H 1 0.764 0.024 . 2 . . . A 66 VAL HG23 . 17448 1 817 . 1 1 66 66 VAL C C 13 175.334 0.13 . 1 . . . A 66 VAL C . 17448 1 818 . 1 1 66 66 VAL CA C 13 60.404 0.13 . 1 . . . A 66 VAL CA . 17448 1 819 . 1 1 66 66 VAL CB C 13 34.219 0.13 . 1 . . . A 66 VAL CB . 17448 1 820 . 1 1 66 66 VAL CG1 C 13 21.139 0.13 . 2 . . . A 66 VAL CG1 . 17448 1 821 . 1 1 66 66 VAL CG2 C 13 20.875 0.13 . 2 . . . A 66 VAL CG2 . 17448 1 822 . 1 1 66 66 VAL N N 15 123.278 0.12 . 1 . . . A 66 VAL N . 17448 1 823 . 1 1 67 67 ASP H H 1 9.016 0.024 . 1 . . . . 67 ASP H . 17448 1 824 . 1 1 67 67 ASP HA H 1 4.707 0.024 . 1 . . . A 67 ASP HA . 17448 1 825 . 1 1 67 67 ASP HB2 H 1 2.999 0.024 . 2 . . . A 67 ASP HB2 . 17448 1 826 . 1 1 67 67 ASP HB3 H 1 2.770 0.024 . 2 . . . A 67 ASP HB3 . 17448 1 827 . 1 1 67 67 ASP C C 13 178.271 0.13 . 1 . . . A 67 ASP C . 17448 1 828 . 1 1 67 67 ASP CA C 13 53.941 0.13 . 1 . . . A 67 ASP CA . 17448 1 829 . 1 1 67 67 ASP CB C 13 42.851 0.13 . 1 . . . A 67 ASP CB . 17448 1 830 . 1 1 67 67 ASP N N 15 127.118 0.12 . 1 . . . A 67 ASP N . 17448 1 831 . 1 1 68 68 LEU H H 1 8.430 0.024 . 1 . . . . 68 LEU H . 17448 1 832 . 1 1 68 68 LEU HA H 1 3.740 0.024 . 1 . . . A 68 LEU HA . 17448 1 833 . 1 1 68 68 LEU HB2 H 1 1.617 0.024 . 2 . . . A 68 LEU HB2 . 17448 1 834 . 1 1 68 68 LEU HB3 H 1 1.503 0.024 . 2 . . . A 68 LEU HB3 . 17448 1 835 . 1 1 68 68 LEU HG H 1 1.586 0.024 . 1 . . . A 68 LEU HG . 17448 1 836 . 1 1 68 68 LEU HD11 H 1 0.792 0.024 . 2 . . . A 68 LEU HD11 . 17448 1 837 . 1 1 68 68 LEU HD12 H 1 0.792 0.024 . 2 . . . A 68 LEU HD12 . 17448 1 838 . 1 1 68 68 LEU HD13 H 1 0.792 0.024 . 2 . . . A 68 LEU HD13 . 17448 1 839 . 1 1 68 68 LEU HD21 H 1 0.792 0.024 . 2 . . . A 68 LEU HD21 . 17448 1 840 . 1 1 68 68 LEU HD22 H 1 0.792 0.024 . 2 . . . A 68 LEU HD22 . 17448 1 841 . 1 1 68 68 LEU HD23 H 1 0.792 0.024 . 2 . . . A 68 LEU HD23 . 17448 1 842 . 1 1 68 68 LEU C C 13 179.348 0.13 . 1 . . . A 68 LEU C . 17448 1 843 . 1 1 68 68 LEU CA C 13 57.222 0.13 . 1 . . . A 68 LEU CA . 17448 1 844 . 1 1 68 68 LEU CB C 13 40.302 0.13 . 1 . . . A 68 LEU CB . 17448 1 845 . 1 1 68 68 LEU CG C 13 28.196 0.13 . 1 . . . A 68 LEU CG . 17448 1 846 . 1 1 68 68 LEU CD1 C 13 25.418 0.13 . 2 . . . A 68 LEU CD1 . 17448 1 847 . 1 1 68 68 LEU CD2 C 13 23.680 0.13 . 2 . . . A 68 LEU CD2 . 17448 1 848 . 1 1 68 68 LEU N N 15 126.781 0.12 . 1 . . . A 68 LEU N . 17448 1 849 . 1 1 69 69 LYS H H 1 9.391 0.024 . 1 . . . . 69 LYS H . 17448 1 850 . 1 1 69 69 LYS HA H 1 3.917 0.024 . 1 . . . A 69 LYS HA . 17448 1 851 . 1 1 69 69 LYS HB2 H 1 1.174 0.024 . 2 . . . A 69 LYS HB2 . 17448 1 852 . 1 1 69 69 LYS HB3 H 1 1.109 0.024 . 2 . . . A 69 LYS HB3 . 17448 1 853 . 1 1 69 69 LYS HG2 H 1 1.420 0.024 . 2 . . . A 69 LYS HG2 . 17448 1 854 . 1 1 69 69 LYS HG3 H 1 1.341 0.024 . 2 . . . A 69 LYS HG3 . 17448 1 855 . 1 1 69 69 LYS HD2 H 1 1.686 0.024 . 2 . . . A 69 LYS HD2 . 17448 1 856 . 1 1 69 69 LYS HD3 H 1 1.686 0.024 . 2 . . . A 69 LYS HD3 . 17448 1 857 . 1 1 69 69 LYS HE3 H 1 2.966 0.024 . 2 . . . A 69 LYS HE3 . 17448 1 858 . 1 1 69 69 LYS C C 13 179.428 0.13 . 1 . . . A 69 LYS C . 17448 1 859 . 1 1 69 69 LYS CA C 13 58.862 0.13 . 1 . . . A 69 LYS CA . 17448 1 860 . 1 1 69 69 LYS CB C 13 31.416 0.13 . 1 . . . A 69 LYS CB . 17448 1 861 . 1 1 69 69 LYS CG C 13 25.633 0.13 . 1 . . . A 69 LYS CG . 17448 1 862 . 1 1 69 69 LYS CD C 13 28.748 0.13 . 1 . . . A 69 LYS CD . 17448 1 863 . 1 1 69 69 LYS CE C 13 42.118 0.13 . 1 . . . A 69 LYS CE . 17448 1 864 . 1 1 69 69 LYS N N 15 123.969 0.12 . 1 . . . A 69 LYS N . 17448 1 865 . 1 1 70 70 LEU H H 1 8.316 0.024 . 1 . . . . 70 LEU H . 17448 1 866 . 1 1 70 70 LEU HA H 1 3.806 0.024 . 1 . . . A 70 LEU HA . 17448 1 867 . 1 1 70 70 LEU HB2 H 1 1.611 0.024 . 2 . . . A 70 LEU HB2 . 17448 1 868 . 1 1 70 70 LEU HB3 H 1 1.553 0.024 . 2 . . . A 70 LEU HB3 . 17448 1 869 . 1 1 70 70 LEU HG H 1 1.770 0.024 . 1 . . . A 70 LEU HG . 17448 1 870 . 1 1 70 70 LEU HD11 H 1 0.780 0.024 . 2 . . . A 70 LEU HD11 . 17448 1 871 . 1 1 70 70 LEU HD12 H 1 0.780 0.024 . 2 . . . A 70 LEU HD12 . 17448 1 872 . 1 1 70 70 LEU HD13 H 1 0.780 0.024 . 2 . . . A 70 LEU HD13 . 17448 1 873 . 1 1 70 70 LEU HD21 H 1 1.102 0.024 . 2 . . . A 70 LEU HD21 . 17448 1 874 . 1 1 70 70 LEU HD22 H 1 1.102 0.024 . 2 . . . A 70 LEU HD22 . 17448 1 875 . 1 1 70 70 LEU HD23 H 1 1.102 0.024 . 2 . . . A 70 LEU HD23 . 17448 1 876 . 1 1 70 70 LEU C C 13 177.654 0.13 . 1 . . . A 70 LEU C . 17448 1 877 . 1 1 70 70 LEU CA C 13 57.161 0.13 . 1 . . . A 70 LEU CA . 17448 1 878 . 1 1 70 70 LEU CB C 13 42.302 0.13 . 1 . . . A 70 LEU CB . 17448 1 879 . 1 1 70 70 LEU CG C 13 26.930 0.13 . 1 . . . A 70 LEU CG . 17448 1 880 . 1 1 70 70 LEU CD1 C 13 26.642 0.13 . 2 . . . A 70 LEU CD1 . 17448 1 881 . 1 1 70 70 LEU CD2 C 13 24.310 0.13 . 2 . . . A 70 LEU CD2 . 17448 1 882 . 1 1 70 70 LEU N N 15 119.450 0.12 . 1 . . . A 70 LEU N . 17448 1 883 . 1 1 71 71 LYS H H 1 6.934 0.024 . 1 . . . . 71 LYS H . 17448 1 884 . 1 1 71 71 LYS HA H 1 3.241 0.024 . 1 . . . A 71 LYS HA . 17448 1 885 . 1 1 71 71 LYS HB2 H 1 1.267 0.024 . 2 . . . A 71 LYS HB2 . 17448 1 886 . 1 1 71 71 LYS HB3 H 1 0.267 0.024 . 2 . . . A 71 LYS HB3 . 17448 1 887 . 1 1 71 71 LYS HG2 H 1 0.872 0.024 . 2 . . . A 71 LYS HG2 . 17448 1 888 . 1 1 71 71 LYS HG3 H 1 0.926 0.024 . 2 . . . A 71 LYS HG3 . 17448 1 889 . 1 1 71 71 LYS HD2 H 1 1.200 0.024 . 2 . . . A 71 LYS HD2 . 17448 1 890 . 1 1 71 71 LYS HD3 H 1 1.200 0.024 . 2 . . . A 71 LYS HD3 . 17448 1 891 . 1 1 71 71 LYS HE2 H 1 2.800 0.024 . 2 . . . A 71 LYS HE2 . 17448 1 892 . 1 1 71 71 LYS HE3 H 1 2.800 0.024 . 2 . . . A 71 LYS HE3 . 17448 1 893 . 1 1 71 71 LYS C C 13 176.836 0.13 . 1 . . . A 71 LYS C . 17448 1 894 . 1 1 71 71 LYS CA C 13 59.217 0.13 . 1 . . . A 71 LYS CA . 17448 1 895 . 1 1 71 71 LYS CB C 13 31.807 0.13 . 1 . . . A 71 LYS CB . 17448 1 896 . 1 1 71 71 LYS CG C 13 24.593 0.13 . 1 . . . A 71 LYS CG . 17448 1 897 . 1 1 71 71 LYS CD C 13 29.461 0.13 . 1 . . . A 71 LYS CD . 17448 1 898 . 1 1 71 71 LYS CE C 13 41.772 0.13 . 1 . . . A 71 LYS CE . 17448 1 899 . 1 1 71 71 LYS N N 15 115.208 0.12 . 1 . . . A 71 LYS N . 17448 1 900 . 1 1 72 72 ASP H H 1 6.826 0.024 . 1 . . . . 72 ASP H . 17448 1 901 . 1 1 72 72 ASP HA H 1 4.396 0.024 . 1 . . . A 72 ASP HA . 17448 1 902 . 1 1 72 72 ASP HB2 H 1 2.624 0.024 . 2 . . . A 72 ASP HB2 . 17448 1 903 . 1 1 72 72 ASP HB3 H 1 2.669 0.024 . 2 . . . A 72 ASP HB3 . 17448 1 904 . 1 1 72 72 ASP C C 13 178.135 0.13 . 1 . . . A 72 ASP C . 17448 1 905 . 1 1 72 72 ASP CA C 13 55.941 0.13 . 1 . . . A 72 ASP CA . 17448 1 906 . 1 1 72 72 ASP CB C 13 41.569 0.13 . 1 . . . A 72 ASP CB . 17448 1 907 . 1 1 72 72 ASP N N 15 113.400 0.12 . 1 . . . A 72 ASP N . 17448 1 908 . 1 1 73 73 THR H H 1 7.543 0.024 . 1 . . . . 73 THR H . 17448 1 909 . 1 1 73 73 THR HA H 1 4.299 0.024 . 1 . . . A 73 THR HA . 17448 1 910 . 1 1 73 73 THR HB H 1 4.759 0.024 . 1 . . . A 73 THR HB . 17448 1 911 . 1 1 73 73 THR HG21 H 1 1.288 0.024 . 1 . . . A 73 THR HG21 . 17448 1 912 . 1 1 73 73 THR HG22 H 1 1.288 0.024 . 1 . . . A 73 THR HG22 . 17448 1 913 . 1 1 73 73 THR HG23 H 1 1.288 0.024 . 1 . . . A 73 THR HG23 . 17448 1 914 . 1 1 73 73 THR C C 13 175.864 0.13 . 1 . . . A 73 THR C . 17448 1 915 . 1 1 73 73 THR CA C 13 63.074 0.13 . 1 . . . A 73 THR CA . 17448 1 916 . 1 1 73 73 THR CB C 13 70.864 0.13 . 1 . . . A 73 THR CB . 17448 1 917 . 1 1 73 73 THR CG2 C 13 22.065 0.13 . 1 . . . A 73 THR CG2 . 17448 1 918 . 1 1 73 73 THR N N 15 107.909 0.12 . 1 . . . A 73 THR N . 17448 1 919 . 1 1 74 74 ASN H H 1 8.436 0.024 . 1 . . . . 74 ASN H . 17448 1 920 . 1 1 74 74 ASN HA H 1 5.071 0.024 . 1 . . . A 74 ASN HA . 17448 1 921 . 1 1 74 74 ASN HB2 H 1 3.125 0.024 . 2 . . . A 74 ASN HB2 . 17448 1 922 . 1 1 74 74 ASN HB3 H 1 2.761 0.024 . 2 . . . A 74 ASN HB3 . 17448 1 923 . 1 1 74 74 ASN HD21 H 1 7.636 0.024 . 2 . . . A 74 ASN HD21 . 17448 1 924 . 1 1 74 74 ASN HD22 H 1 7.337 0.024 . 2 . . . A 74 ASN HD22 . 17448 1 925 . 1 1 74 74 ASN CA C 13 50.479 0.13 . 1 . . . A 74 ASN CA . 17448 1 926 . 1 1 74 74 ASN CB C 13 37.609 0.13 . 1 . . . A 74 ASN CB . 17448 1 927 . 1 1 74 74 ASN N N 15 118.100 0.12 . 1 . . . A 74 ASN N . 17448 1 928 . 1 1 74 74 ASN ND2 N 15 108.529 0.12 . 1 . . . A 74 ASN ND2 . 17448 1 929 . 1 1 75 75 PRO HA H 1 4.332 0.024 . 1 . . . A 75 PRO HA . 17448 1 930 . 1 1 75 75 PRO HB2 H 1 2.553 0.024 . 2 . . . A 75 PRO HB2 . 17448 1 931 . 1 1 75 75 PRO HB3 H 1 2.058 0.024 . 2 . . . A 75 PRO HB3 . 17448 1 932 . 1 1 75 75 PRO HG2 H 1 2.174 0.024 . 2 . . . A 75 PRO HG2 . 17448 1 933 . 1 1 75 75 PRO HG3 H 1 2.174 0.024 . 2 . . . A 75 PRO HG3 . 17448 1 934 . 1 1 75 75 PRO HD2 H 1 3.311 0.024 . 2 . . . A 75 PRO HD2 . 17448 1 935 . 1 1 75 75 PRO HD3 H 1 3.828 0.024 . 2 . . . A 75 PRO HD3 . 17448 1 936 . 1 1 75 75 PRO C C 13 179.575 0.13 . 1 . . . A 75 PRO C . 17448 1 937 . 1 1 75 75 PRO CA C 13 65.770 0.13 . 1 . . . A 75 PRO CA . 17448 1 938 . 1 1 75 75 PRO CB C 13 31.309 0.13 . 1 . . . A 75 PRO CB . 17448 1 939 . 1 1 75 75 PRO CG C 13 27.400 0.13 . 1 . . . A 75 PRO CG . 17448 1 940 . 1 1 75 75 PRO CD C 13 49.746 0.13 . 1 . . . A 75 PRO CD . 17448 1 941 . 1 1 76 76 GLU H H 1 8.738 0.024 . 1 . . . . 76 GLU H . 17448 1 942 . 1 1 76 76 GLU HA H 1 4.234 0.024 . 1 . . . A 76 GLU HA . 17448 1 943 . 1 1 76 76 GLU HB2 H 1 2.045 0.024 . 2 . . . A 76 GLU HB2 . 17448 1 944 . 1 1 76 76 GLU HB3 H 1 2.134 0.024 . 2 . . . A 76 GLU HB3 . 17448 1 945 . 1 1 76 76 GLU HG2 H 1 2.368 0.024 . 2 . . . A 76 GLU HG2 . 17448 1 946 . 1 1 76 76 GLU HG3 H 1 2.368 0.024 . 2 . . . A 76 GLU HG3 . 17448 1 947 . 1 1 76 76 GLU C C 13 179.310 0.13 . 1 . . . A 76 GLU C . 17448 1 948 . 1 1 76 76 GLU CA C 13 59.488 0.13 . 1 . . . A 76 GLU CA . 17448 1 949 . 1 1 76 76 GLU CB C 13 29.127 0.13 . 1 . . . A 76 GLU CB . 17448 1 950 . 1 1 76 76 GLU CG C 13 36.453 0.13 . 1 . . . A 76 GLU CG . 17448 1 951 . 1 1 76 76 GLU N N 15 116.825 0.12 . 1 . . . A 76 GLU N . 17448 1 952 . 1 1 77 77 GLY H H 1 7.763 0.024 . 1 . . . . 77 GLY H . 17448 1 953 . 1 1 77 77 GLY HA2 H 1 4.051 0.024 . 2 . . . A 77 GLY HA2 . 17448 1 954 . 1 1 77 77 GLY HA3 H 1 3.682 0.024 . 2 . . . . 77 GLY HA3 . 17448 1 955 . 1 1 77 77 GLY C C 13 176.692 0.13 . 1 . . . A 77 GLY C . 17448 1 956 . 1 1 77 77 GLY CA C 13 47.511 0.13 . 1 . . . A 77 GLY CA . 17448 1 957 . 1 1 77 77 GLY N N 15 108.569 0.12 . 1 . . . A 77 GLY N . 17448 1 958 . 1 1 78 78 PHE H H 1 8.805 0.024 . 1 . . . . 78 PHE H . 17448 1 959 . 1 1 78 78 PHE HA H 1 3.865 0.024 . 1 . . . A 78 PHE HA . 17448 1 960 . 1 1 78 78 PHE HB2 H 1 3.182 0.024 . 2 . . . A 78 PHE HB2 . 17448 1 961 . 1 1 78 78 PHE HB3 H 1 2.688 0.024 . 2 . . . A 78 PHE HB3 . 17448 1 962 . 1 1 78 78 PHE HD1 H 1 7.057 0.024 . 3 . . . A 78 PHE HD1 . 17448 1 963 . 1 1 78 78 PHE HD2 H 1 7.057 0.024 . 3 . . . A 78 PHE HD2 . 17448 1 964 . 1 1 78 78 PHE HE1 H 1 7.158 0.024 . 3 . . . A 78 PHE HE1 . 17448 1 965 . 1 1 78 78 PHE HE2 H 1 7.158 0.024 . 3 . . . A 78 PHE HE2 . 17448 1 966 . 1 1 78 78 PHE HZ H 1 7.079 0.024 . 1 . . . A 78 PHE HZ . 17448 1 967 . 1 1 78 78 PHE C C 13 176.760 0.13 . 1 . . . A 78 PHE C . 17448 1 968 . 1 1 78 78 PHE CA C 13 62.545 0.13 . 1 . . . A 78 PHE CA . 17448 1 969 . 1 1 78 78 PHE CB C 13 39.441 0.13 . 1 . . . A 78 PHE CB . 17448 1 970 . 1 1 78 78 PHE CD1 C 13 131.410 0.13 . 3 . . . A 78 PHE CD1 . 17448 1 971 . 1 1 78 78 PHE CD2 C 13 131.411 0.13 . 3 . . . A 78 PHE CD2 . 17448 1 972 . 1 1 78 78 PHE CE1 C 13 131.288 0.13 . 3 . . . A 78 PHE CE1 . 17448 1 973 . 1 1 78 78 PHE CE2 C 13 131.288 0.13 . 3 . . . A 78 PHE CE2 . 17448 1 974 . 1 1 78 78 PHE CZ C 13 130.098 0.13 . 1 . . . A 78 PHE CZ . 17448 1 975 . 1 1 78 78 PHE N N 15 122.602 0.12 . 1 . . . A 78 PHE N . 17448 1 976 . 1 1 79 79 ASN H H 1 8.510 0.024 . 1 . . . . 79 ASN H . 17448 1 977 . 1 1 79 79 ASN HA H 1 4.259 0.024 . 1 . . . A 79 ASN HA . 17448 1 978 . 1 1 79 79 ASN HB2 H 1 3.016 0.024 . 2 . . . A 79 ASN HB2 . 17448 1 979 . 1 1 79 79 ASN HB3 H 1 2.809 0.024 . 2 . . . A 79 ASN HB3 . 17448 1 980 . 1 1 79 79 ASN HD21 H 1 7.664 0.024 . 2 . . . A 79 ASN HD21 . 17448 1 981 . 1 1 79 79 ASN HD22 H 1 6.957 0.024 . 2 . . . A 79 ASN HD22 . 17448 1 982 . 1 1 79 79 ASN C C 13 178.956 0.13 . 1 . . . A 79 ASN C . 17448 1 983 . 1 1 79 79 ASN CA C 13 56.183 0.13 . 1 . . . A 79 ASN CA . 17448 1 984 . 1 1 79 79 ASN CB C 13 37.921 0.13 . 1 . . . A 79 ASN CB . 17448 1 985 . 1 1 79 79 ASN N N 15 117.138 0.12 . 1 . . . A 79 ASN N . 17448 1 986 . 1 1 79 79 ASN ND2 N 15 111.047 0.12 . 1 . . . A 79 ASN ND2 . 17448 1 987 . 1 1 80 80 GLN H H 1 8.281 0.024 . 1 . . . . 80 GLN H . 17448 1 988 . 1 1 80 80 GLN HA H 1 4.119 0.024 . 1 . . . A 80 GLN HA . 17448 1 989 . 1 1 80 80 GLN HB2 H 1 2.343 0.024 . 2 . . . A 80 GLN HB2 . 17448 1 990 . 1 1 80 80 GLN HB3 H 1 2.228 0.024 . 2 . . . A 80 GLN HB3 . 17448 1 991 . 1 1 80 80 GLN HG2 H 1 2.652 0.024 . 2 . . . A 80 GLN HG2 . 17448 1 992 . 1 1 80 80 GLN HG3 H 1 2.532 0.024 . 2 . . . A 80 GLN HG3 . 17448 1 993 . 1 1 80 80 GLN HE21 H 1 7.606 0.024 . 2 . . . A 80 GLN HE21 . 17448 1 994 . 1 1 80 80 GLN HE22 H 1 6.792 0.024 . 2 . . . A 80 GLN HE22 . 17448 1 995 . 1 1 80 80 GLN C C 13 179.492 0.13 . 1 . . . A 80 GLN C . 17448 1 996 . 1 1 80 80 GLN CA C 13 59.087 0.13 . 1 . . . A 80 GLN CA . 17448 1 997 . 1 1 80 80 GLN CB C 13 28.213 0.13 . 1 . . . A 80 GLN CB . 17448 1 998 . 1 1 80 80 GLN CG C 13 33.965 0.13 . 1 . . . A 80 GLN CG . 17448 1 999 . 1 1 80 80 GLN N N 15 119.709 0.12 . 1 . . . A 80 GLN N . 17448 1 1000 . 1 1 80 80 GLN NE2 N 15 110.779 0.12 . 1 . . . A 80 GLN NE2 . 17448 1 1001 . 1 1 81 81 LEU H H 1 7.890 0.024 . 1 . . . . 81 LEU H . 17448 1 1002 . 1 1 81 81 LEU HA H 1 4.090 0.024 . 1 . . . A 81 LEU HA . 17448 1 1003 . 1 1 81 81 LEU HB2 H 1 1.654 0.024 . 2 . . . A 81 LEU HB2 . 17448 1 1004 . 1 1 81 81 LEU HB3 H 1 1.423 0.024 . 2 . . . A 81 LEU HB3 . 17448 1 1005 . 1 1 81 81 LEU HG H 1 1.520 0.024 . 1 . . . A 81 LEU HG . 17448 1 1006 . 1 1 81 81 LEU HD11 H 1 0.690 0.024 . 2 . . . A 81 LEU HD11 . 17448 1 1007 . 1 1 81 81 LEU HD12 H 1 0.690 0.024 . 2 . . . A 81 LEU HD12 . 17448 1 1008 . 1 1 81 81 LEU HD13 H 1 0.690 0.024 . 2 . . . A 81 LEU HD13 . 17448 1 1009 . 1 1 81 81 LEU HD21 H 1 0.618 0.024 . 2 . . . A 81 LEU HD21 . 17448 1 1010 . 1 1 81 81 LEU HD22 H 1 0.618 0.024 . 2 . . . A 81 LEU HD22 . 17448 1 1011 . 1 1 81 81 LEU HD23 H 1 0.618 0.024 . 2 . . . A 81 LEU HD23 . 17448 1 1012 . 1 1 81 81 LEU C C 13 178.918 0.13 . 1 . . . A 81 LEU C . 17448 1 1013 . 1 1 81 81 LEU CA C 13 58.153 0.13 . 1 . . . A 81 LEU CA . 17448 1 1014 . 1 1 81 81 LEU CB C 13 41.479 0.13 . 1 . . . A 81 LEU CB . 17448 1 1015 . 1 1 81 81 LEU CG C 13 26.810 0.13 . 1 . . . A 81 LEU CG . 17448 1 1016 . 1 1 81 81 LEU CD1 C 13 24.669 0.13 . 2 . . . A 81 LEU CD1 . 17448 1 1017 . 1 1 81 81 LEU CD2 C 13 25.753 0.13 . 2 . . . A 81 LEU CD2 . 17448 1 1018 . 1 1 81 81 LEU N N 15 123.001 0.12 . 1 . . . A 81 LEU N . 17448 1 1019 . 1 1 82 82 MET H H 1 7.921 0.024 . 1 . . . . 82 MET H . 17448 1 1020 . 1 1 82 82 MET HA H 1 4.367 0.024 . 1 . . . A 82 MET HA . 17448 1 1021 . 1 1 82 82 MET HB2 H 1 1.966 0.024 . 2 . . . A 82 MET HB2 . 17448 1 1022 . 1 1 82 82 MET HB3 H 1 1.689 0.024 . 2 . . . A 82 MET HB3 . 17448 1 1023 . 1 1 82 82 MET HG2 H 1 2.251 0.024 . 2 . . . A 82 MET HG2 . 17448 1 1024 . 1 1 82 82 MET HG3 H 1 1.522 0.024 . 2 . . . A 82 MET HG3 . 17448 1 1025 . 1 1 82 82 MET HE1 H 1 1.594 0.024 . 1 . . . A 82 MET HE1 . 17448 1 1026 . 1 1 82 82 MET HE2 H 1 1.594 0.024 . 1 . . . A 82 MET HE2 . 17448 1 1027 . 1 1 82 82 MET HE3 H 1 1.594 0.024 . 1 . . . A 82 MET HE3 . 17448 1 1028 . 1 1 82 82 MET C C 13 180.099 0.13 . 1 . . . A 82 MET C . 17448 1 1029 . 1 1 82 82 MET CA C 13 55.935 0.13 . 1 . . . A 82 MET CA . 17448 1 1030 . 1 1 82 82 MET CB C 13 30.956 0.13 . 1 . . . A 82 MET CB . 17448 1 1031 . 1 1 82 82 MET CG C 13 32.284 0.13 . 1 . . . A 82 MET CG . 17448 1 1032 . 1 1 82 82 MET CE C 13 17.285 0.13 . 1 . . . A 82 MET CE . 17448 1 1033 . 1 1 82 82 MET N N 15 115.610 0.12 . 1 . . . A 82 MET N . 17448 1 1034 . 1 1 83 83 HIS H H 1 8.513 0.024 . 1 . . . . 83 HIS H . 17448 1 1035 . 1 1 83 83 HIS HA H 1 4.355 0.024 . 1 . . . A 83 HIS HA . 17448 1 1036 . 1 1 83 83 HIS HB2 H 1 3.312 0.024 . 2 . . . A 83 HIS HB2 . 17448 1 1037 . 1 1 83 83 HIS HB3 H 1 3.347 0.024 . 2 . . . A 83 HIS HB3 . 17448 1 1038 . 1 1 83 83 HIS HD2 H 1 7.254 0.024 . 1 . . . A 83 HIS HD2 . 17448 1 1039 . 1 1 83 83 HIS HE1 H 1 8.401 0.024 . 1 . . . A 83 HIS HE1 . 17448 1 1040 . 1 1 83 83 HIS C C 13 176.746 0.13 . 1 . . . A 83 HIS C . 17448 1 1041 . 1 1 83 83 HIS CA C 13 58.993 0.13 . 1 . . . A 83 HIS CA . 17448 1 1042 . 1 1 83 83 HIS CB C 13 28.306 0.13 . 1 . . . A 83 HIS CB . 17448 1 1043 . 1 1 83 83 HIS CD2 C 13 119.932 0.13 . 1 . . . A 83 HIS CD2 . 17448 1 1044 . 1 1 83 83 HIS CE1 C 13 136.739 0.13 . 1 . . . A 83 HIS CE1 . 17448 1 1045 . 1 1 83 83 HIS N N 15 119.504 0.12 . 1 . . . A 83 HIS N . 17448 1 1046 . 1 1 84 84 PHE H H 1 8.198 0.024 . 1 . . . . 84 PHE H . 17448 1 1047 . 1 1 84 84 PHE HA H 1 4.150 0.024 . 1 . . . A 84 PHE HA . 17448 1 1048 . 1 1 84 84 PHE HB2 H 1 3.299 0.024 . 2 . . . A 84 PHE HB2 . 17448 1 1049 . 1 1 84 84 PHE HB3 H 1 3.417 0.024 . 2 . . . A 84 PHE HB3 . 17448 1 1050 . 1 1 84 84 PHE HD1 H 1 6.998 0.024 . 3 . . . A 84 PHE HD1 . 17448 1 1051 . 1 1 84 84 PHE HD2 H 1 6.998 0.024 . 3 . . . A 84 PHE HD2 . 17448 1 1052 . 1 1 84 84 PHE HE1 H 1 6.929 0.024 . 3 . . . A 84 PHE HE1 . 17448 1 1053 . 1 1 84 84 PHE HE2 H 1 6.929 0.024 . 3 . . . A 84 PHE HE2 . 17448 1 1054 . 1 1 84 84 PHE HZ H 1 7.033 0.024 . 1 . . . A 84 PHE HZ . 17448 1 1055 . 1 1 84 84 PHE C C 13 178.474 0.13 . 1 . . . A 84 PHE C . 17448 1 1056 . 1 1 84 84 PHE CA C 13 61.450 0.13 . 1 . . . A 84 PHE CA . 17448 1 1057 . 1 1 84 84 PHE CB C 13 38.522 0.13 . 1 . . . A 84 PHE CB . 17448 1 1058 . 1 1 84 84 PHE CD1 C 13 131.531 0.13 . 3 . . . A 84 PHE CD1 . 17448 1 1059 . 1 1 84 84 PHE CD2 C 13 131.530 0.13 . 3 . . . A 84 PHE CD2 . 17448 1 1060 . 1 1 84 84 PHE CE1 C 13 131.694 0.13 . 3 . . . A 84 PHE CE1 . 17448 1 1061 . 1 1 84 84 PHE CE2 C 13 131.690 0.13 . 3 . . . A 84 PHE CE2 . 17448 1 1062 . 1 1 84 84 PHE CZ C 13 129.744 0.13 . 1 . . . A 84 PHE CZ . 17448 1 1063 . 1 1 84 84 PHE N N 15 120.805 0.12 . 1 . . . A 84 PHE N . 17448 1 1064 . 1 1 85 85 ALA H H 1 8.137 0.024 . 1 . . . . 85 ALA H . 17448 1 1065 . 1 1 85 85 ALA HA H 1 3.522 0.024 . 1 . . . A 85 ALA HA . 17448 1 1066 . 1 1 85 85 ALA HB1 H 1 1.419 0.024 . 1 . . . A 85 ALA HB1 . 17448 1 1067 . 1 1 85 85 ALA HB2 H 1 1.419 0.024 . 1 . . . A 85 ALA HB2 . 17448 1 1068 . 1 1 85 85 ALA HB3 H 1 1.419 0.024 . 1 . . . A 85 ALA HB3 . 17448 1 1069 . 1 1 85 85 ALA C C 13 179.455 0.13 . 1 . . . A 85 ALA C . 17448 1 1070 . 1 1 85 85 ALA CA C 13 55.019 0.13 . 1 . . . A 85 ALA CA . 17448 1 1071 . 1 1 85 85 ALA CB C 13 18.119 0.13 . 1 . . . A 85 ALA CB . 17448 1 1072 . 1 1 85 85 ALA N N 15 120.694 0.12 . 1 . . . A 85 ALA N . 17448 1 1073 . 1 1 86 86 THR H H 1 8.438 0.024 . 1 . . . . 86 THR H . 17448 1 1074 . 1 1 86 86 THR HA H 1 3.962 0.024 . 1 . . . A 86 THR HA . 17448 1 1075 . 1 1 86 86 THR HB H 1 4.161 0.024 . 1 . . . A 86 THR HB . 17448 1 1076 . 1 1 86 86 THR HG21 H 1 1.186 0.024 . 1 . . . A 86 THR HG21 . 17448 1 1077 . 1 1 86 86 THR HG22 H 1 1.186 0.024 . 1 . . . A 86 THR HG22 . 17448 1 1078 . 1 1 86 86 THR HG23 H 1 1.186 0.024 . 1 . . . A 86 THR HG23 . 17448 1 1079 . 1 1 86 86 THR C C 13 179.371 0.13 . 1 . . . A 86 THR C . 17448 1 1080 . 1 1 86 86 THR CA C 13 65.761 0.13 . 1 . . . A 86 THR CA . 17448 1 1081 . 1 1 86 86 THR CB C 13 68.302 0.13 . 1 . . . A 86 THR CB . 17448 1 1082 . 1 1 86 86 THR CG2 C 13 21.613 0.13 . 1 . . . A 86 THR CG2 . 17448 1 1083 . 1 1 86 86 THR N N 15 111.760 0.12 . 1 . . . A 86 THR N . 17448 1 1084 . 1 1 87 87 GLU H H 1 8.834 0.024 . 1 . . . . 87 GLU H . 17448 1 1085 . 1 1 87 87 GLU HA H 1 3.894 0.024 . 1 . . . A 87 GLU HA . 17448 1 1086 . 1 1 87 87 GLU HB2 H 1 1.824 0.024 . 2 . . . A 87 GLU HB2 . 17448 1 1087 . 1 1 87 87 GLU HB3 H 1 1.730 0.024 . 2 . . . A 87 GLU HB3 . 17448 1 1088 . 1 1 87 87 GLU HG2 H 1 2.014 0.024 . 2 . . . A 87 GLU HG2 . 17448 1 1089 . 1 1 87 87 GLU HG3 H 1 2.014 0.024 . 2 . . . A 87 GLU HG3 . 17448 1 1090 . 1 1 87 87 GLU C C 13 177.992 0.13 . 1 . . . A 87 GLU C . 17448 1 1091 . 1 1 87 87 GLU CA C 13 59.036 0.13 . 1 . . . A 87 GLU CA . 17448 1 1092 . 1 1 87 87 GLU CB C 13 29.321 0.13 . 1 . . . A 87 GLU CB . 17448 1 1093 . 1 1 87 87 GLU CG C 13 36.180 0.13 . 1 . . . A 87 GLU CG . 17448 1 1094 . 1 1 87 87 GLU N N 15 123.532 0.12 . 1 . . . A 87 GLU N . 17448 1 1095 . 1 1 88 88 ASN H H 1 6.829 0.024 . 1 . . . . 88 ASN H . 17448 1 1096 . 1 1 88 88 ASN HA H 1 4.452 0.024 . 1 . . . A 88 ASN HA . 17448 1 1097 . 1 1 88 88 ASN HB2 H 1 2.060 0.024 . 2 . . . A 88 ASN HB2 . 17448 1 1098 . 1 1 88 88 ASN HB3 H 1 1.432 0.024 . 2 . . . A 88 ASN HB3 . 17448 1 1099 . 1 1 88 88 ASN HD21 H 1 6.786 0.024 . 2 . . . A 88 ASN HD21 . 17448 1 1100 . 1 1 88 88 ASN HD22 H 1 5.954 0.024 . 2 . . . A 88 ASN HD22 . 17448 1 1101 . 1 1 88 88 ASN C C 13 172.456 0.13 . 1 . . . A 88 ASN C . 17448 1 1102 . 1 1 88 88 ASN CA C 13 53.529 0.13 . 1 . . . A 88 ASN CA . 17448 1 1103 . 1 1 88 88 ASN CB C 13 39.043 0.13 . 1 . . . A 88 ASN CB . 17448 1 1104 . 1 1 88 88 ASN N N 15 111.752 0.12 . 1 . . . A 88 ASN N . 17448 1 1105 . 1 1 88 88 ASN ND2 N 15 117.181 0.12 . 1 . . . A 88 ASN ND2 . 17448 1 1106 . 1 1 89 89 GLN H H 1 7.478 0.024 . 1 . . . . 89 GLN H . 17448 1 1107 . 1 1 89 89 GLN HA H 1 3.772 0.024 . 1 . . . A 89 GLN HA . 17448 1 1108 . 1 1 89 89 GLN HB2 H 1 2.206 0.024 . 2 . . . A 89 GLN HB2 . 17448 1 1109 . 1 1 89 89 GLN HB3 H 1 2.237 0.024 . 2 . . . A 89 GLN HB3 . 17448 1 1110 . 1 1 89 89 GLN HG2 H 1 2.201 0.024 . 2 . . . A 89 GLN HG2 . 17448 1 1111 . 1 1 89 89 GLN HG3 H 1 2.201 0.024 . 2 . . . A 89 GLN HG3 . 17448 1 1112 . 1 1 89 89 GLN HE21 H 1 7.522 0.024 . 2 . . . A 89 GLN HE21 . 17448 1 1113 . 1 1 89 89 GLN HE22 H 1 6.763 0.024 . 2 . . . A 89 GLN HE22 . 17448 1 1114 . 1 1 89 89 GLN C C 13 174.500 0.13 . 1 . . . A 89 GLN C . 17448 1 1115 . 1 1 89 89 GLN CA C 13 56.136 0.13 . 1 . . . A 89 GLN CA . 17448 1 1116 . 1 1 89 89 GLN CB C 13 25.936 0.13 . 1 . . . A 89 GLN CB . 17448 1 1117 . 1 1 89 89 GLN CG C 13 34.059 0.13 . 1 . . . A 89 GLN CG . 17448 1 1118 . 1 1 89 89 GLN N N 15 113.496 0.12 . 1 . . . A 89 GLN N . 17448 1 1119 . 1 1 89 89 GLN NE2 N 15 111.580 0.12 . 1 . . . A 89 GLN NE2 . 17448 1 1120 . 1 1 90 90 LEU H H 1 7.997 0.024 . 1 . . . . 90 LEU H . 17448 1 1121 . 1 1 90 90 LEU HA H 1 4.190 0.024 . 1 . . . A 90 LEU HA . 17448 1 1122 . 1 1 90 90 LEU HB2 H 1 1.671 0.024 . 2 . . . A 90 LEU HB2 . 17448 1 1123 . 1 1 90 90 LEU HB3 H 1 1.053 0.024 . 2 . . . A 90 LEU HB3 . 17448 1 1124 . 1 1 90 90 LEU HG H 1 0.605 0.024 . 1 . . . A 90 LEU HG . 17448 1 1125 . 1 1 90 90 LEU HD11 H 1 -0.453 0.024 . 2 . . . A 90 LEU HD11 . 17448 1 1126 . 1 1 90 90 LEU HD12 H 1 -0.453 0.024 . 2 . . . A 90 LEU HD12 . 17448 1 1127 . 1 1 90 90 LEU HD13 H 1 -0.453 0.024 . 2 . . . A 90 LEU HD13 . 17448 1 1128 . 1 1 90 90 LEU HD21 H 1 -0.226 0.024 . 2 . . . A 90 LEU HD21 . 17448 1 1129 . 1 1 90 90 LEU HD22 H 1 -0.226 0.024 . 2 . . . A 90 LEU HD22 . 17448 1 1130 . 1 1 90 90 LEU HD23 H 1 -0.226 0.024 . 2 . . . A 90 LEU HD23 . 17448 1 1131 . 1 1 90 90 LEU C C 13 177.628 0.13 . 1 . . . A 90 LEU C . 17448 1 1132 . 1 1 90 90 LEU CA C 13 54.459 0.13 . 1 . . . A 90 LEU CA . 17448 1 1133 . 1 1 90 90 LEU CB C 13 39.948 0.13 . 1 . . . A 90 LEU CB . 17448 1 1134 . 1 1 90 90 LEU CG C 13 26.445 0.13 . 1 . . . A 90 LEU CG . 17448 1 1135 . 1 1 90 90 LEU CD1 C 13 24.407 0.13 . 2 . . . A 90 LEU CD1 . 17448 1 1136 . 1 1 90 90 LEU CD2 C 13 20.137 0.13 . 2 . . . A 90 LEU CD2 . 17448 1 1137 . 1 1 90 90 LEU N N 15 115.347 0.12 . 1 . . . A 90 LEU N . 17448 1 1138 . 1 1 91 91 ASN H H 1 7.958 0.024 . 1 . . . . 91 ASN H . 17448 1 1139 . 1 1 91 91 ASN HA H 1 4.437 0.024 . 1 . . . A 91 ASN HA . 17448 1 1140 . 1 1 91 91 ASN HB2 H 1 2.771 0.024 . 2 . . . A 91 ASN HB2 . 17448 1 1141 . 1 1 91 91 ASN HB3 H 1 2.458 0.024 . 2 . . . A 91 ASN HB3 . 17448 1 1142 . 1 1 91 91 ASN HD21 H 1 7.329 0.024 . 2 . . . A 91 ASN HD21 . 17448 1 1143 . 1 1 91 91 ASN HD22 H 1 6.786 0.024 . 2 . . . A 91 ASN HD22 . 17448 1 1144 . 1 1 91 91 ASN C C 13 173.682 0.13 . 1 . . . A 91 ASN C . 17448 1 1145 . 1 1 91 91 ASN CA C 13 53.637 0.13 . 1 . . . A 91 ASN CA . 17448 1 1146 . 1 1 91 91 ASN CB C 13 39.410 0.13 . 1 . . . A 91 ASN CB . 17448 1 1147 . 1 1 91 91 ASN N N 15 118.571 0.12 . 1 . . . A 91 ASN N . 17448 1 1148 . 1 1 91 91 ASN ND2 N 15 112.894 0.12 . 1 . . . A 91 ASN ND2 . 17448 1 1149 . 1 1 92 92 ILE H H 1 7.868 0.024 . 1 . . . . 92 ILE H . 17448 1 1150 . 1 1 92 92 ILE HA H 1 4.913 0.024 . 1 . . . A 92 ILE HA . 17448 1 1151 . 1 1 92 92 ILE HB H 1 1.759 0.024 . 1 . . . A 92 ILE HB . 17448 1 1152 . 1 1 92 92 ILE HG12 H 1 1.678 0.024 . 2 . . . A 92 ILE HG12 . 17448 1 1153 . 1 1 92 92 ILE HG13 H 1 0.856 0.024 . 2 . . . A 92 ILE HG13 . 17448 1 1154 . 1 1 92 92 ILE HG21 H 1 0.721 0.024 . 1 . . . A 92 ILE HG21 . 17448 1 1155 . 1 1 92 92 ILE HG22 H 1 0.721 0.024 . 1 . . . A 92 ILE HG22 . 17448 1 1156 . 1 1 92 92 ILE HG23 H 1 0.721 0.024 . 1 . . . A 92 ILE HG23 . 17448 1 1157 . 1 1 92 92 ILE HD11 H 1 0.695 0.024 . 1 . . . A 92 ILE HD11 . 17448 1 1158 . 1 1 92 92 ILE HD12 H 1 0.695 0.024 . 1 . . . A 92 ILE HD12 . 17448 1 1159 . 1 1 92 92 ILE HD13 H 1 0.695 0.024 . 1 . . . A 92 ILE HD13 . 17448 1 1160 . 1 1 92 92 ILE C C 13 174.878 0.13 . 1 . . . A 92 ILE C . 17448 1 1161 . 1 1 92 92 ILE CA C 13 59.552 0.13 . 1 . . . A 92 ILE CA . 17448 1 1162 . 1 1 92 92 ILE CB C 13 39.445 0.13 . 1 . . . A 92 ILE CB . 17448 1 1163 . 1 1 92 92 ILE CG1 C 13 27.292 0.13 . 1 . . . A 92 ILE CG1 . 17448 1 1164 . 1 1 92 92 ILE CG2 C 13 18.709 0.13 . 1 . . . A 92 ILE CG2 . 17448 1 1165 . 1 1 92 92 ILE CD1 C 13 13.575 0.13 . 1 . . . A 92 ILE CD1 . 17448 1 1166 . 1 1 92 92 ILE N N 15 122.536 0.12 . 1 . . . A 92 ILE N . 17448 1 1167 . 1 1 93 93 LEU H H 1 9.388 0.024 . 1 . . . . 93 LEU H . 17448 1 1168 . 1 1 93 93 LEU HA H 1 5.403 0.024 . 1 . . . A 93 LEU HA . 17448 1 1169 . 1 1 93 93 LEU HB2 H 1 1.395 0.024 . 2 . . . A 93 LEU HB2 . 17448 1 1170 . 1 1 93 93 LEU HB3 H 1 1.712 0.024 . 2 . . . A 93 LEU HB3 . 17448 1 1171 . 1 1 93 93 LEU HG H 1 1.397 0.024 . 1 . . . A 93 LEU HG . 17448 1 1172 . 1 1 93 93 LEU HD11 H 1 0.718 0.024 . 2 . . . A 93 LEU HD11 . 17448 1 1173 . 1 1 93 93 LEU HD12 H 1 0.718 0.024 . 2 . . . A 93 LEU HD12 . 17448 1 1174 . 1 1 93 93 LEU HD13 H 1 0.718 0.024 . 2 . . . A 93 LEU HD13 . 17448 1 1175 . 1 1 93 93 LEU HD21 H 1 0.586 0.024 . 2 . . . A 93 LEU HD21 . 17448 1 1176 . 1 1 93 93 LEU HD22 H 1 0.586 0.024 . 2 . . . A 93 LEU HD22 . 17448 1 1177 . 1 1 93 93 LEU HD23 H 1 0.586 0.024 . 2 . . . A 93 LEU HD23 . 17448 1 1178 . 1 1 93 93 LEU C C 13 177.855 0.13 . 1 . . . A 93 LEU C . 17448 1 1179 . 1 1 93 93 LEU CA C 13 52.034 0.13 . 1 . . . A 93 LEU CA . 17448 1 1180 . 1 1 93 93 LEU CB C 13 45.831 0.13 . 1 . . . A 93 LEU CB . 17448 1 1181 . 1 1 93 93 LEU CG C 13 27.110 0.13 . 1 . . . A 93 LEU CG . 17448 1 1182 . 1 1 93 93 LEU CD1 C 13 25.456 0.13 . 2 . . . A 93 LEU CD1 . 17448 1 1183 . 1 1 93 93 LEU CD2 C 13 22.838 0.13 . 2 . . . A 93 LEU CD2 . 17448 1 1184 . 1 1 93 93 LEU N N 15 124.813 0.12 . 1 . . . A 93 LEU N . 17448 1 1185 . 1 1 94 94 ASP H H 1 8.624 0.024 . 1 . . . . 94 ASP H . 17448 1 1186 . 1 1 94 94 ASP HA H 1 4.837 0.024 . 1 . . . A 94 ASP HA . 17448 1 1187 . 1 1 94 94 ASP HB2 H 1 2.644 0.024 . 2 . . . A 94 ASP HB2 . 17448 1 1188 . 1 1 94 94 ASP HB3 H 1 3.477 0.024 . 2 . . . A 94 ASP HB3 . 17448 1 1189 . 1 1 94 94 ASP C C 13 177.907 0.13 . 1 . . . A 94 ASP C . 17448 1 1190 . 1 1 94 94 ASP CA C 13 51.938 0.13 . 1 . . . A 94 ASP CA . 17448 1 1191 . 1 1 94 94 ASP CB C 13 41.291 0.13 . 1 . . . A 94 ASP CB . 17448 1 1192 . 1 1 94 94 ASP N N 15 117.545 0.12 . 1 . . . A 94 ASP N . 17448 1 1193 . 1 1 95 95 ALA H H 1 8.269 0.024 . 1 . . . . 95 ALA H . 17448 1 1194 . 1 1 95 95 ALA HA H 1 3.998 0.024 . 1 . . . A 95 ALA HA . 17448 1 1195 . 1 1 95 95 ALA HB1 H 1 1.522 0.024 . 1 . . . A 95 ALA HB1 . 17448 1 1196 . 1 1 95 95 ALA HB2 H 1 1.522 0.024 . 1 . . . A 95 ALA HB2 . 17448 1 1197 . 1 1 95 95 ALA HB3 H 1 1.522 0.024 . 1 . . . A 95 ALA HB3 . 17448 1 1198 . 1 1 95 95 ALA C C 13 178.716 0.13 . 1 . . . A 95 ALA C . 17448 1 1199 . 1 1 95 95 ALA CA C 13 54.249 0.13 . 1 . . . A 95 ALA CA . 17448 1 1200 . 1 1 95 95 ALA CB C 13 19.139 0.13 . 1 . . . A 95 ALA CB . 17448 1 1201 . 1 1 95 95 ALA N N 15 117.579 0.12 . 1 . . . A 95 ALA N . 17448 1 1202 . 1 1 96 96 GLU H H 1 7.921 0.024 . 1 . . . . 96 GLU H . 17448 1 1203 . 1 1 96 96 GLU HA H 1 4.345 0.024 . 1 . . . A 96 GLU HA . 17448 1 1204 . 1 1 96 96 GLU HB2 H 1 2.231 0.024 . 2 . . . A 96 GLU HB2 . 17448 1 1205 . 1 1 96 96 GLU HB3 H 1 1.944 0.024 . 2 . . . A 96 GLU HB3 . 17448 1 1206 . 1 1 96 96 GLU HG2 H 1 2.219 0.024 . 2 . . . A 96 GLU HG2 . 17448 1 1207 . 1 1 96 96 GLU HG3 H 1 2.219 0.024 . 2 . . . A 96 GLU HG3 . 17448 1 1208 . 1 1 96 96 GLU C C 13 176.889 0.13 . 1 . . . A 96 GLU C . 17448 1 1209 . 1 1 96 96 GLU CA C 13 55.695 0.13 . 1 . . . A 96 GLU CA . 17448 1 1210 . 1 1 96 96 GLU CB C 13 30.177 0.13 . 1 . . . A 96 GLU CB . 17448 1 1211 . 1 1 96 96 GLU CG C 13 37.029 0.13 . 1 . . . A 96 GLU CG . 17448 1 1212 . 1 1 96 96 GLU N N 15 115.005 0.12 . 1 . . . A 96 GLU N . 17448 1 1213 . 1 1 97 97 GLY H H 1 8.114 0.024 . 1 . . . . 97 GLY H . 17448 1 1214 . 1 1 97 97 GLY HA2 H 1 4.234 0.024 . 2 . . . A 97 GLY HA2 . 17448 1 1215 . 1 1 97 97 GLY HA3 H 1 3.488 0.024 . 2 . . . . 97 GLY HA3 . 17448 1 1216 . 1 1 97 97 GLY C C 13 174.389 0.13 . 1 . . . A 97 GLY C . 17448 1 1217 . 1 1 97 97 GLY CA C 13 45.529 0.13 . 1 . . . A 97 GLY CA . 17448 1 1218 . 1 1 97 97 GLY N N 15 106.974 0.12 . 1 . . . A 97 GLY N . 17448 1 1219 . 1 1 98 98 ASN H H 1 8.768 0.024 . 1 . . . . 98 ASN H . 17448 1 1220 . 1 1 98 98 ASN HA H 1 4.729 0.024 . 1 . . . A 98 ASN HA . 17448 1 1221 . 1 1 98 98 ASN HB2 H 1 2.865 0.024 . 2 . . . A 98 ASN HB2 . 17448 1 1222 . 1 1 98 98 ASN HB3 H 1 2.575 0.024 . 2 . . . A 98 ASN HB3 . 17448 1 1223 . 1 1 98 98 ASN HD21 H 1 8.712 0.024 . 2 . . . A 98 ASN HD21 . 17448 1 1224 . 1 1 98 98 ASN HD22 H 1 7.178 0.024 . 2 . . . A 98 ASN HD22 . 17448 1 1225 . 1 1 98 98 ASN C C 13 175.411 0.13 . 1 . . . A 98 ASN C . 17448 1 1226 . 1 1 98 98 ASN CA C 13 52.543 0.13 . 1 . . . A 98 ASN CA . 17448 1 1227 . 1 1 98 98 ASN CB C 13 39.103 0.13 . 1 . . . A 98 ASN CB . 17448 1 1228 . 1 1 98 98 ASN N N 15 119.880 0.12 . 1 . . . A 98 ASN N . 17448 1 1229 . 1 1 98 98 ASN ND2 N 15 119.080 0.12 . 1 . . . A 98 ASN ND2 . 17448 1 1230 . 1 1 99 99 SER H H 1 8.700 0.024 . 1 . . . . 99 SER H . 17448 1 1231 . 1 1 99 99 SER HA H 1 4.814 0.024 . 1 . . . A 99 SER HA . 17448 1 1232 . 1 1 99 99 SER HB2 H 1 3.836 0.024 . 2 . . . A 99 SER HB2 . 17448 1 1233 . 1 1 99 99 SER HB3 H 1 3.836 0.024 . 2 . . . A 99 SER HB3 . 17448 1 1234 . 1 1 99 99 SER C C 13 175.358 0.13 . 1 . . . A 99 SER C . 17448 1 1235 . 1 1 99 99 SER CA C 13 59.105 0.13 . 1 . . . A 99 SER CA . 17448 1 1236 . 1 1 99 99 SER CB C 13 63.100 0.13 . 1 . . . A 99 SER CB . 17448 1 1237 . 1 1 99 99 SER N N 15 116.788 0.12 . 1 . . . A 99 SER N . 17448 1 1238 . 1 1 100 100 ILE H H 1 8.718 0.024 . 1 . . . . 100 ILE H . 17448 1 1239 . 1 1 100 100 ILE HA H 1 4.502 0.024 . 1 . . . A 100 ILE HA . 17448 1 1240 . 1 1 100 100 ILE HB H 1 1.672 0.024 . 1 . . . A 100 ILE HB . 17448 1 1241 . 1 1 100 100 ILE HG12 H 1 0.928 0.024 . 2 . . . A 100 ILE HG12 . 17448 1 1242 . 1 1 100 100 ILE HG13 H 1 1.211 0.024 . 2 . . . A 100 ILE HG13 . 17448 1 1243 . 1 1 100 100 ILE HG21 H 1 0.821 0.024 . 1 . . . A 100 ILE HG21 . 17448 1 1244 . 1 1 100 100 ILE HG22 H 1 0.821 0.024 . 1 . . . A 100 ILE HG22 . 17448 1 1245 . 1 1 100 100 ILE HG23 H 1 0.821 0.024 . 1 . . . A 100 ILE HG23 . 17448 1 1246 . 1 1 100 100 ILE HD11 H 1 0.713 0.024 . 1 . . . A 100 ILE HD11 . 17448 1 1247 . 1 1 100 100 ILE HD12 H 1 0.713 0.024 . 1 . . . A 100 ILE HD12 . 17448 1 1248 . 1 1 100 100 ILE HD13 H 1 0.713 0.024 . 1 . . . A 100 ILE HD13 . 17448 1 1249 . 1 1 100 100 ILE C C 13 174.376 0.13 . 1 . . . A 100 ILE C . 17448 1 1250 . 1 1 100 100 ILE CA C 13 59.639 0.13 . 1 . . . A 100 ILE CA . 17448 1 1251 . 1 1 100 100 ILE CB C 13 41.124 0.13 . 1 . . . A 100 ILE CB . 17448 1 1252 . 1 1 100 100 ILE CG1 C 13 26.296 0.13 . 1 . . . A 100 ILE CG1 . 17448 1 1253 . 1 1 100 100 ILE CG2 C 13 17.780 0.13 . 1 . . . A 100 ILE CG2 . 17448 1 1254 . 1 1 100 100 ILE CD1 C 13 14.043 0.13 . 1 . . . A 100 ILE CD1 . 17448 1 1255 . 1 1 100 100 ILE N N 15 123.126 0.12 . 1 . . . A 100 ILE N . 17448 1 1256 . 1 1 101 101 ASP H H 1 8.375 0.024 . 1 . . . . 101 ASP H . 17448 1 1257 . 1 1 101 101 ASP HA H 1 4.630 0.024 . 1 . . . A 101 ASP HA . 17448 1 1258 . 1 1 101 101 ASP HB2 H 1 2.643 0.024 . 2 . . . A 101 ASP HB2 . 17448 1 1259 . 1 1 101 101 ASP HB3 H 1 2.708 0.024 . 2 . . . A 101 ASP HB3 . 17448 1 1260 . 1 1 101 101 ASP C C 13 177.387 0.13 . 1 . . . A 101 ASP C . 17448 1 1261 . 1 1 101 101 ASP CA C 13 53.350 0.13 . 1 . . . A 101 ASP CA . 17448 1 1262 . 1 1 101 101 ASP CB C 13 42.642 0.13 . 1 . . . A 101 ASP CB . 17448 1 1263 . 1 1 101 101 ASP N N 15 122.295 0.12 . 1 . . . A 101 ASP N . 17448 1 1264 . 1 1 102 102 ALA H H 1 8.730 0.024 . 1 . . . . 102 ALA H . 17448 1 1265 . 1 1 102 102 ALA HA H 1 3.827 0.024 . 1 . . . A 102 ALA HA . 17448 1 1266 . 1 1 102 102 ALA HB1 H 1 1.314 0.024 . 1 . . . A 102 ALA HB1 . 17448 1 1267 . 1 1 102 102 ALA HB2 H 1 1.314 0.024 . 1 . . . A 102 ALA HB2 . 17448 1 1268 . 1 1 102 102 ALA HB3 H 1 1.314 0.024 . 1 . . . A 102 ALA HB3 . 17448 1 1269 . 1 1 102 102 ALA C C 13 179.527 0.13 . 1 . . . A 102 ALA C . 17448 1 1270 . 1 1 102 102 ALA CA C 13 55.079 0.13 . 1 . . . A 102 ALA CA . 17448 1 1271 . 1 1 102 102 ALA CB C 13 18.627 0.13 . 1 . . . A 102 ALA CB . 17448 1 1272 . 1 1 102 102 ALA N N 15 125.331 0.12 . 1 . . . A 102 ALA N . 17448 1 1273 . 1 1 103 103 ALA H H 1 8.507 0.024 . 1 . . . . 103 ALA H . 17448 1 1274 . 1 1 103 103 ALA HA H 1 4.227 0.024 . 1 . . . A 103 ALA HA . 17448 1 1275 . 1 1 103 103 ALA HB1 H 1 1.403 0.024 . 1 . . . A 103 ALA HB1 . 17448 1 1276 . 1 1 103 103 ALA HB2 H 1 1.403 0.024 . 1 . . . A 103 ALA HB2 . 17448 1 1277 . 1 1 103 103 ALA HB3 H 1 1.403 0.024 . 1 . . . A 103 ALA HB3 . 17448 1 1278 . 1 1 103 103 ALA C C 13 179.650 0.13 . 1 . . . A 103 ALA C . 17448 1 1279 . 1 1 103 103 ALA CA C 13 53.978 0.13 . 1 . . . A 103 ALA CA . 17448 1 1280 . 1 1 103 103 ALA CB C 13 18.408 0.13 . 1 . . . A 103 ALA CB . 17448 1 1281 . 1 1 103 103 ALA N N 15 118.009 0.12 . 1 . . . A 103 ALA N . 17448 1 1282 . 1 1 104 104 GLN H H 1 7.918 0.024 . 1 . . . . 104 GLN H . 17448 1 1283 . 1 1 104 104 GLN HA H 1 4.217 0.024 . 1 . . . A 104 GLN HA . 17448 1 1284 . 1 1 104 104 GLN HB2 H 1 2.191 0.024 . 2 . . . A 104 GLN HB2 . 17448 1 1285 . 1 1 104 104 GLN HB3 H 1 2.191 0.024 . 2 . . . A 104 GLN HB3 . 17448 1 1286 . 1 1 104 104 GLN HG2 H 1 2.415 0.024 . 2 . . . A 104 GLN HG2 . 17448 1 1287 . 1 1 104 104 GLN HG3 H 1 2.415 0.024 . 2 . . . A 104 GLN HG3 . 17448 1 1288 . 1 1 104 104 GLN HE21 H 1 6.909 0.024 . 2 . . . A 104 GLN HE21 . 17448 1 1289 . 1 1 104 104 GLN HE22 H 1 7.626 0.024 . 2 . . . A 104 GLN HE22 . 17448 1 1290 . 1 1 104 104 GLN C C 13 178.028 0.13 . 1 . . . A 104 GLN C . 17448 1 1291 . 1 1 104 104 GLN CA C 13 57.086 0.13 . 1 . . . A 104 GLN CA . 17448 1 1292 . 1 1 104 104 GLN CB C 13 29.614 0.13 . 1 . . . A 104 GLN CB . 17448 1 1293 . 1 1 104 104 GLN CG C 13 35.085 0.13 . 1 . . . A 104 GLN CG . 17448 1 1294 . 1 1 104 104 GLN N N 15 114.206 0.12 . 1 . . . A 104 GLN N . 17448 1 1295 . 1 1 104 104 GLN NE2 N 15 111.395 0.12 . 1 . . . A 104 GLN NE2 . 17448 1 1296 . 1 1 105 105 VAL H H 1 7.659 0.024 . 1 . . . . 105 VAL H . 17448 1 1297 . 1 1 105 105 VAL HA H 1 4.118 0.024 . 1 . . . A 105 VAL HA . 17448 1 1298 . 1 1 105 105 VAL HB H 1 2.338 0.024 . 1 . . . A 105 VAL HB . 17448 1 1299 . 1 1 105 105 VAL HG11 H 1 0.993 0.024 . 2 . . . A 105 VAL HG11 . 17448 1 1300 . 1 1 105 105 VAL HG12 H 1 0.993 0.024 . 2 . . . A 105 VAL HG12 . 17448 1 1301 . 1 1 105 105 VAL HG13 H 1 0.993 0.024 . 2 . . . A 105 VAL HG13 . 17448 1 1302 . 1 1 105 105 VAL HG21 H 1 1.024 0.024 . 2 . . . A 105 VAL HG21 . 17448 1 1303 . 1 1 105 105 VAL HG22 H 1 1.024 0.024 . 2 . . . A 105 VAL HG22 . 17448 1 1304 . 1 1 105 105 VAL HG23 H 1 1.024 0.024 . 2 . . . A 105 VAL HG23 . 17448 1 1305 . 1 1 105 105 VAL C C 13 176.614 0.13 . 1 . . . A 105 VAL C . 17448 1 1306 . 1 1 105 105 VAL CA C 13 63.362 0.13 . 1 . . . A 105 VAL CA . 17448 1 1307 . 1 1 105 105 VAL CB C 13 32.458 0.13 . 1 . . . A 105 VAL CB . 17448 1 1308 . 1 1 105 105 VAL CG1 C 13 22.015 0.13 . 2 . . . A 105 VAL CG1 . 17448 1 1309 . 1 1 105 105 VAL CG2 C 13 21.400 0.13 . 2 . . . A 105 VAL CG2 . 17448 1 1310 . 1 1 105 105 VAL N N 15 114.030 0.12 . 1 . . . A 105 VAL N . 17448 1 1311 . 1 1 106 106 THR H H 1 7.687 0.024 . 1 . . . . 106 THR H . 17448 1 1312 . 1 1 106 106 THR HA H 1 4.324 0.024 . 1 . . . A 106 THR HA . 17448 1 1313 . 1 1 106 106 THR HB H 1 4.309 0.024 . 1 . . . A 106 THR HB . 17448 1 1314 . 1 1 106 106 THR HG21 H 1 1.205 0.024 . 1 . . . A 106 THR HG21 . 17448 1 1315 . 1 1 106 106 THR HG22 H 1 1.205 0.024 . 1 . . . A 106 THR HG22 . 17448 1 1316 . 1 1 106 106 THR HG23 H 1 1.205 0.024 . 1 . . . A 106 THR HG23 . 17448 1 1317 . 1 1 106 106 THR C C 13 174.792 0.13 . 1 . . . A 106 THR C . 17448 1 1318 . 1 1 106 106 THR CA C 13 62.504 0.13 . 1 . . . A 106 THR CA . 17448 1 1319 . 1 1 106 106 THR CB C 13 69.170 0.13 . 1 . . . A 106 THR CB . 17448 1 1320 . 1 1 106 106 THR CG2 C 13 21.694 0.13 . 1 . . . A 106 THR CG2 . 17448 1 1321 . 1 1 106 106 THR N N 15 110.556 0.12 . 1 . . . A 106 THR N . 17448 1 1322 . 1 1 107 107 GLU H H 1 7.825 0.024 . 1 . . . . 107 GLU H . 17448 1 1323 . 1 1 107 107 GLU HA H 1 4.375 0.024 . 1 . . . A 107 GLU HA . 17448 1 1324 . 1 1 107 107 GLU HB2 H 1 2.146 0.024 . 2 . . . A 107 GLU HB2 . 17448 1 1325 . 1 1 107 107 GLU HB3 H 1 1.950 0.024 . 2 . . . A 107 GLU HB3 . 17448 1 1326 . 1 1 107 107 GLU HG2 H 1 2.230 0.024 . 2 . . . A 107 GLU HG2 . 17448 1 1327 . 1 1 107 107 GLU HG3 H 1 2.295 0.024 . 2 . . . A 107 GLU HG3 . 17448 1 1328 . 1 1 107 107 GLU C C 13 176.057 0.13 . 1 . . . A 107 GLU C . 17448 1 1329 . 1 1 107 107 GLU CA C 13 56.107 0.13 . 1 . . . A 107 GLU CA . 17448 1 1330 . 1 1 107 107 GLU CB C 13 30.199 0.13 . 1 . . . A 107 GLU CB . 17448 1 1331 . 1 1 107 107 GLU CG C 13 36.137 0.13 . 1 . . . A 107 GLU CG . 17448 1 1332 . 1 1 107 107 GLU N N 15 120.429 0.12 . 1 . . . A 107 GLU N . 17448 1 1333 . 1 1 108 108 ILE H H 1 7.475 0.024 . 1 . . . . 108 ILE H . 17448 1 1334 . 1 1 108 108 ILE HA H 1 3.936 0.024 . 1 . . . A 108 ILE HA . 17448 1 1335 . 1 1 108 108 ILE HB H 1 1.804 0.024 . 1 . . . A 108 ILE HB . 17448 1 1336 . 1 1 108 108 ILE HG12 H 1 1.506 0.024 . 2 . . . A 108 ILE HG12 . 17448 1 1337 . 1 1 108 108 ILE HG13 H 1 1.146 0.024 . 2 . . . A 108 ILE HG13 . 17448 1 1338 . 1 1 108 108 ILE HG21 H 1 0.900 0.024 . 1 . . . A 108 ILE HG21 . 17448 1 1339 . 1 1 108 108 ILE HG22 H 1 0.900 0.024 . 1 . . . A 108 ILE HG22 . 17448 1 1340 . 1 1 108 108 ILE HG23 H 1 0.900 0.024 . 1 . . . A 108 ILE HG23 . 17448 1 1341 . 1 1 108 108 ILE HD11 H 1 0.854 0.024 . 1 . . . A 108 ILE HD11 . 17448 1 1342 . 1 1 108 108 ILE HD12 H 1 0.854 0.024 . 1 . . . A 108 ILE HD12 . 17448 1 1343 . 1 1 108 108 ILE HD13 H 1 0.854 0.024 . 1 . . . A 108 ILE HD13 . 17448 1 1344 . 1 1 108 108 ILE CA C 13 63.458 0.13 . 1 . . . A 108 ILE CA . 17448 1 1345 . 1 1 108 108 ILE CB C 13 39.165 0.13 . 1 . . . A 108 ILE CB . 17448 1 1346 . 1 1 108 108 ILE CG1 C 13 27.513 0.13 . 1 . . . A 108 ILE CG1 . 17448 1 1347 . 1 1 108 108 ILE CG2 C 13 18.134 0.13 . 1 . . . A 108 ILE CG2 . 17448 1 1348 . 1 1 108 108 ILE CD1 C 13 14.046 0.13 . 1 . . . A 108 ILE CD1 . 17448 1 1349 . 1 1 108 108 ILE N N 15 124.901 0.12 . 1 . . . A 108 ILE N . 17448 1 stop_ save_