data_25983 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25983 _Entry.Title ; Solution NMR structure of ligand free sterol carrier protein 2 like 2 from Aedes aegypti ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-07 _Entry.Accession_date 2016-03-17 _Entry.Last_release_date 2016-03-17 _Entry.Original_release_date 2016-03-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kiran Singarapu . K. . . 25983 2 Ramesh Ummanni . . . . 25983 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25983 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Aedes aegypti' . 25983 NMR . 25983 SCP2L2 . 25983 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25983 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 25983 '15N chemical shifts' 110 25983 '1H chemical shifts' 752 25983 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 . . 2017-03-02 . original BMRB . 25983 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25984 'Solution NMR structure of palmitated SCP2L2 from Aedes aegypti' 25983 PDB 2NBM 'BMRB Entry Tracking System' 25983 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25983 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27508310 _Citation.Full_citation . _Citation.Title ; Solution Nuclear Magnetic Resonance Studies of Sterol Carrier Protein 2 Like 2 (SCP2L2) Reveal the Insecticide Specific Structural Characteristics of SCP2 Proteins in Aedes aegypti Mosquitoes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 35 _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 4919 _Citation.Page_last 4927 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kiran Singarapu . K. . . 25983 1 2 Ashish Ahuja . . . . 25983 1 3 Purushotam Potula . R. . . 25983 1 4 Ramesh Ummanni . . . . 25983 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25983 _Assembly.ID 1 _Assembly.Name SCP2L2 _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 entity 1 $entity A . yes native no no . . . 25983 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25983 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MSVETIIERIKARVGAVDPN GPRKVLGVFQLNIKTASGVE QWIVDLKQLKVDQGVFASPD VTVTVGLEDMLAISGKTLTV GDALKQGKIELSGDADLAAK LAEVIHHHHHH ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11940.874 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25983 1 2 2 SER . 25983 1 3 3 VAL . 25983 1 4 4 GLU . 25983 1 5 5 THR . 25983 1 6 6 ILE . 25983 1 7 7 ILE . 25983 1 8 8 GLU . 25983 1 9 9 ARG . 25983 1 10 10 ILE . 25983 1 11 11 LYS . 25983 1 12 12 ALA . 25983 1 13 13 ARG . 25983 1 14 14 VAL . 25983 1 15 15 GLY . 25983 1 16 16 ALA . 25983 1 17 17 VAL . 25983 1 18 18 ASP . 25983 1 19 19 PRO . 25983 1 20 20 ASN . 25983 1 21 21 GLY . 25983 1 22 22 PRO . 25983 1 23 23 ARG . 25983 1 24 24 LYS . 25983 1 25 25 VAL . 25983 1 26 26 LEU . 25983 1 27 27 GLY . 25983 1 28 28 VAL . 25983 1 29 29 PHE . 25983 1 30 30 GLN . 25983 1 31 31 LEU . 25983 1 32 32 ASN . 25983 1 33 33 ILE . 25983 1 34 34 LYS . 25983 1 35 35 THR . 25983 1 36 36 ALA . 25983 1 37 37 SER . 25983 1 38 38 GLY . 25983 1 39 39 VAL . 25983 1 40 40 GLU . 25983 1 41 41 GLN . 25983 1 42 42 TRP . 25983 1 43 43 ILE . 25983 1 44 44 VAL . 25983 1 45 45 ASP . 25983 1 46 46 LEU . 25983 1 47 47 LYS . 25983 1 48 48 GLN . 25983 1 49 49 LEU . 25983 1 50 50 LYS . 25983 1 51 51 VAL . 25983 1 52 52 ASP . 25983 1 53 53 GLN . 25983 1 54 54 GLY . 25983 1 55 55 VAL . 25983 1 56 56 PHE . 25983 1 57 57 ALA . 25983 1 58 58 SER . 25983 1 59 59 PRO . 25983 1 60 60 ASP . 25983 1 61 61 VAL . 25983 1 62 62 THR . 25983 1 63 63 VAL . 25983 1 64 64 THR . 25983 1 65 65 VAL . 25983 1 66 66 GLY . 25983 1 67 67 LEU . 25983 1 68 68 GLU . 25983 1 69 69 ASP . 25983 1 70 70 MET . 25983 1 71 71 LEU . 25983 1 72 72 ALA . 25983 1 73 73 ILE . 25983 1 74 74 SER . 25983 1 75 75 GLY . 25983 1 76 76 LYS . 25983 1 77 77 THR . 25983 1 78 78 LEU . 25983 1 79 79 THR . 25983 1 80 80 VAL . 25983 1 81 81 GLY . 25983 1 82 82 ASP . 25983 1 83 83 ALA . 25983 1 84 84 LEU . 25983 1 85 85 LYS . 25983 1 86 86 GLN . 25983 1 87 87 GLY . 25983 1 88 88 LYS . 25983 1 89 89 ILE . 25983 1 90 90 GLU . 25983 1 91 91 LEU . 25983 1 92 92 SER . 25983 1 93 93 GLY . 25983 1 94 94 ASP . 25983 1 95 95 ALA . 25983 1 96 96 ASP . 25983 1 97 97 LEU . 25983 1 98 98 ALA . 25983 1 99 99 ALA . 25983 1 100 100 LYS . 25983 1 101 101 LEU . 25983 1 102 102 ALA . 25983 1 103 103 GLU . 25983 1 104 104 VAL . 25983 1 105 105 ILE . 25983 1 106 106 HIS . 25983 1 107 107 HIS . 25983 1 108 108 HIS . 25983 1 109 109 HIS . 25983 1 110 110 HIS . 25983 1 111 111 HIS . 25983 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25983 1 . SER 2 2 25983 1 . VAL 3 3 25983 1 . GLU 4 4 25983 1 . THR 5 5 25983 1 . ILE 6 6 25983 1 . ILE 7 7 25983 1 . GLU 8 8 25983 1 . ARG 9 9 25983 1 . ILE 10 10 25983 1 . LYS 11 11 25983 1 . ALA 12 12 25983 1 . ARG 13 13 25983 1 . VAL 14 14 25983 1 . GLY 15 15 25983 1 . ALA 16 16 25983 1 . VAL 17 17 25983 1 . ASP 18 18 25983 1 . PRO 19 19 25983 1 . ASN 20 20 25983 1 . GLY 21 21 25983 1 . PRO 22 22 25983 1 . ARG 23 23 25983 1 . LYS 24 24 25983 1 . VAL 25 25 25983 1 . LEU 26 26 25983 1 . GLY 27 27 25983 1 . VAL 28 28 25983 1 . PHE 29 29 25983 1 . GLN 30 30 25983 1 . LEU 31 31 25983 1 . ASN 32 32 25983 1 . ILE 33 33 25983 1 . LYS 34 34 25983 1 . THR 35 35 25983 1 . ALA 36 36 25983 1 . SER 37 37 25983 1 . GLY 38 38 25983 1 . VAL 39 39 25983 1 . GLU 40 40 25983 1 . GLN 41 41 25983 1 . TRP 42 42 25983 1 . ILE 43 43 25983 1 . VAL 44 44 25983 1 . ASP 45 45 25983 1 . LEU 46 46 25983 1 . LYS 47 47 25983 1 . GLN 48 48 25983 1 . LEU 49 49 25983 1 . LYS 50 50 25983 1 . VAL 51 51 25983 1 . ASP 52 52 25983 1 . GLN 53 53 25983 1 . GLY 54 54 25983 1 . VAL 55 55 25983 1 . PHE 56 56 25983 1 . ALA 57 57 25983 1 . SER 58 58 25983 1 . PRO 59 59 25983 1 . ASP 60 60 25983 1 . VAL 61 61 25983 1 . THR 62 62 25983 1 . VAL 63 63 25983 1 . THR 64 64 25983 1 . VAL 65 65 25983 1 . GLY 66 66 25983 1 . LEU 67 67 25983 1 . GLU 68 68 25983 1 . ASP 69 69 25983 1 . MET 70 70 25983 1 . LEU 71 71 25983 1 . ALA 72 72 25983 1 . ILE 73 73 25983 1 . SER 74 74 25983 1 . GLY 75 75 25983 1 . LYS 76 76 25983 1 . THR 77 77 25983 1 . LEU 78 78 25983 1 . THR 79 79 25983 1 . VAL 80 80 25983 1 . GLY 81 81 25983 1 . ASP 82 82 25983 1 . ALA 83 83 25983 1 . LEU 84 84 25983 1 . LYS 85 85 25983 1 . GLN 86 86 25983 1 . GLY 87 87 25983 1 . LYS 88 88 25983 1 . ILE 89 89 25983 1 . GLU 90 90 25983 1 . LEU 91 91 25983 1 . SER 92 92 25983 1 . GLY 93 93 25983 1 . ASP 94 94 25983 1 . ALA 95 95 25983 1 . ASP 96 96 25983 1 . LEU 97 97 25983 1 . ALA 98 98 25983 1 . ALA 99 99 25983 1 . LYS 100 100 25983 1 . LEU 101 101 25983 1 . ALA 102 102 25983 1 . GLU 103 103 25983 1 . VAL 104 104 25983 1 . ILE 105 105 25983 1 . HIS 106 106 25983 1 . HIS 107 107 25983 1 . HIS 108 108 25983 1 . HIS 109 109 25983 1 . HIS 110 110 25983 1 . HIS 111 111 25983 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 25983 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 7159 organism . 'Aedes aegypti' mosquitos . . Eukaryota Metazoa Aedes aegypti . . . . . . . . . . . . . 25983 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 25983 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pEt29b+ . . . 25983 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25983 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . protein 0.7 . . mM . . . . 25983 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25983 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25983 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25983 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . protein 0.7 . . mM . . . . 25983 2 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25983 2 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25983 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25983 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 25983 1 pH 7.0 . pH 25983 1 pressure 1 . atm 25983 1 temperature 298 . K 25983 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25983 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25983 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25983 1 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 25983 _Software.ID 2 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 25983 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25983 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25983 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25983 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25983 3 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 25983 _Software.ID 4 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 25983 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25983 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25983 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25983 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25983 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25983 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25983 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25983 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25983 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25983 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25983 7 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25983 _Software.ID 8 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25983 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25983 8 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 25983 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25983 _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 . 700 . . . 25983 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 25983 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25983 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25983 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25983 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25983 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25983 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25983 1 7 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25983 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25983 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25983 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25983 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 25983 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25983 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25983 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25983 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 25983 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25983 1 2 '2D 1H-13C HSQC' 2 $sample_2 isotropic 25983 1 3 '3D CBCA(CO)NH' 2 $sample_2 isotropic 25983 1 5 '3D HNCACB' 2 $sample_2 isotropic 25983 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 SER H H 1 8.501 0.011 . . . . . A 2 SER H . 25983 1 2 . 1 1 2 2 SER HA H 1 4.655 0.001 . . . . . A 2 SER HA . 25983 1 3 . 1 1 2 2 SER HB2 H 1 3.875 0.014 . . . . . A 2 SER HB2 . 25983 1 4 . 1 1 2 2 SER HB3 H 1 4.145 0.012 . . . . . A 2 SER HB3 . 25983 1 5 . 1 1 2 2 SER CA C 13 56.660 0.000 . . . . . A 2 SER CA . 25983 1 6 . 1 1 2 2 SER CB C 13 65.640 0.006 . . . . . A 2 SER CB . 25983 1 7 . 1 1 2 2 SER N N 15 116.300 0.000 . . . . . A 2 SER N . 25983 1 8 . 1 1 3 3 VAL H H 1 8.924 0.013 . . . . . A 3 VAL H . 25983 1 9 . 1 1 3 3 VAL HA H 1 3.475 0.005 . . . . . A 3 VAL HA . 25983 1 10 . 1 1 3 3 VAL HB H 1 2.053 0.015 . . . . . A 3 VAL HB . 25983 1 11 . 1 1 3 3 VAL HG11 H 1 0.823 0.029 . . . . . A 3 VAL HG11 . 25983 1 12 . 1 1 3 3 VAL HG12 H 1 0.823 0.029 . . . . . A 3 VAL HG12 . 25983 1 13 . 1 1 3 3 VAL HG13 H 1 0.823 0.029 . . . . . A 3 VAL HG13 . 25983 1 14 . 1 1 3 3 VAL HG21 H 1 0.976 0.014 . . . . . A 3 VAL HG21 . 25983 1 15 . 1 1 3 3 VAL HG22 H 1 0.976 0.014 . . . . . A 3 VAL HG22 . 25983 1 16 . 1 1 3 3 VAL HG23 H 1 0.976 0.014 . . . . . A 3 VAL HG23 . 25983 1 17 . 1 1 3 3 VAL CA C 13 66.047 0.000 . . . . . A 3 VAL CA . 25983 1 18 . 1 1 3 3 VAL CB C 13 31.548 0.000 . . . . . A 3 VAL CB . 25983 1 19 . 1 1 3 3 VAL CG1 C 13 21.277 0.034 . . . . . A 3 VAL CG1 . 25983 1 20 . 1 1 3 3 VAL CG2 C 13 23.552 0.083 . . . . . A 3 VAL CG2 . 25983 1 21 . 1 1 3 3 VAL N N 15 121.443 0.000 . . . . . A 3 VAL N . 25983 1 22 . 1 1 4 4 GLU H H 1 8.660 0.011 . . . . . A 4 GLU H . 25983 1 23 . 1 1 4 4 GLU HA H 1 3.735 0.003 . . . . . A 4 GLU HA . 25983 1 24 . 1 1 4 4 GLU HB2 H 1 1.906 0.005 . . . . . A 4 GLU HB2 . 25983 1 25 . 1 1 4 4 GLU HB3 H 1 1.996 0.006 . . . . . A 4 GLU HB3 . 25983 1 26 . 1 1 4 4 GLU HG2 H 1 2.253 0.005 . . . . . A 4 GLU HG2 . 25983 1 27 . 1 1 4 4 GLU HG3 H 1 2.316 0.000 . . . . . A 4 GLU HG3 . 25983 1 28 . 1 1 4 4 GLU CA C 13 60.123 0.000 . . . . . A 4 GLU CA . 25983 1 29 . 1 1 4 4 GLU CB C 13 28.593 0.000 . . . . . A 4 GLU CB . 25983 1 30 . 1 1 4 4 GLU CG C 13 36.595 0.000 . . . . . A 4 GLU CG . 25983 1 31 . 1 1 4 4 GLU N N 15 118.560 0.000 . . . . . A 4 GLU N . 25983 1 32 . 1 1 5 5 THR H H 1 7.666 0.018 . . . . . A 5 THR H . 25983 1 33 . 1 1 5 5 THR HA H 1 3.862 0.007 . . . . . A 5 THR HA . 25983 1 34 . 1 1 5 5 THR HB H 1 4.159 0.005 . . . . . A 5 THR HB . 25983 1 35 . 1 1 5 5 THR HG21 H 1 1.145 0.010 . . . . . A 5 THR HG21 . 25983 1 36 . 1 1 5 5 THR HG22 H 1 1.145 0.010 . . . . . A 5 THR HG22 . 25983 1 37 . 1 1 5 5 THR HG23 H 1 1.145 0.010 . . . . . A 5 THR HG23 . 25983 1 38 . 1 1 5 5 THR CA C 13 65.589 0.000 . . . . . A 5 THR CA . 25983 1 39 . 1 1 5 5 THR CB C 13 68.284 0.000 . . . . . A 5 THR CB . 25983 1 40 . 1 1 5 5 THR CG2 C 13 21.044 0.000 . . . . . A 5 THR CG2 . 25983 1 41 . 1 1 5 5 THR N N 15 112.621 0.014 . . . . . A 5 THR N . 25983 1 42 . 1 1 6 6 ILE H H 1 7.439 0.000 . . . . . A 6 ILE H . 25983 1 43 . 1 1 6 6 ILE HA H 1 3.833 0.028 . . . . . A 6 ILE HA . 25983 1 44 . 1 1 6 6 ILE HB H 1 1.835 0.004 . . . . . A 6 ILE HB . 25983 1 45 . 1 1 6 6 ILE HG12 H 1 1.443 0.008 . . . . . A 6 ILE HG12 . 25983 1 46 . 1 1 6 6 ILE HG13 H 1 1.281 0.020 . . . . . A 6 ILE HG13 . 25983 1 47 . 1 1 6 6 ILE HG21 H 1 0.783 0.005 . . . . . A 6 ILE HG21 . 25983 1 48 . 1 1 6 6 ILE HG22 H 1 0.783 0.005 . . . . . A 6 ILE HG22 . 25983 1 49 . 1 1 6 6 ILE HG23 H 1 0.783 0.005 . . . . . A 6 ILE HG23 . 25983 1 50 . 1 1 6 6 ILE HD11 H 1 0.739 0.008 . . . . . A 6 ILE HD11 . 25983 1 51 . 1 1 6 6 ILE HD12 H 1 0.739 0.008 . . . . . A 6 ILE HD12 . 25983 1 52 . 1 1 6 6 ILE HD13 H 1 0.739 0.008 . . . . . A 6 ILE HD13 . 25983 1 53 . 1 1 6 6 ILE CA C 13 62.555 0.000 . . . . . A 6 ILE CA . 25983 1 54 . 1 1 6 6 ILE CB C 13 37.397 0.000 . . . . . A 6 ILE CB . 25983 1 55 . 1 1 6 6 ILE CG1 C 13 28.618 0.000 . . . . . A 6 ILE CG1 . 25983 1 56 . 1 1 6 6 ILE CG2 C 13 17.584 0.049 . . . . . A 6 ILE CG2 . 25983 1 57 . 1 1 6 6 ILE CD1 C 13 12.488 0.000 . . . . . A 6 ILE CD1 . 25983 1 58 . 1 1 6 6 ILE N N 15 121.420 0.000 . . . . . A 6 ILE N . 25983 1 59 . 1 1 7 7 ILE H H 1 8.236 0.024 . . . . . A 7 ILE H . 25983 1 60 . 1 1 7 7 ILE HA H 1 3.276 0.006 . . . . . A 7 ILE HA . 25983 1 61 . 1 1 7 7 ILE HB H 1 1.547 0.005 . . . . . A 7 ILE HB . 25983 1 62 . 1 1 7 7 ILE HG12 H 1 0.772 0.292 . . . . . A 7 ILE HG12 . 25983 1 63 . 1 1 7 7 ILE HG13 H 1 -0.343 0.002 . . . . . A 7 ILE HG13 . 25983 1 64 . 1 1 7 7 ILE HG21 H 1 -0.045 0.006 . . . . . A 7 ILE HG21 . 25983 1 65 . 1 1 7 7 ILE HG22 H 1 -0.045 0.006 . . . . . A 7 ILE HG22 . 25983 1 66 . 1 1 7 7 ILE HG23 H 1 -0.045 0.006 . . . . . A 7 ILE HG23 . 25983 1 67 . 1 1 7 7 ILE HD11 H 1 -0.498 0.001 . . . . . A 7 ILE HD11 . 25983 1 68 . 1 1 7 7 ILE HD12 H 1 -0.498 0.001 . . . . . A 7 ILE HD12 . 25983 1 69 . 1 1 7 7 ILE HD13 H 1 -0.498 0.001 . . . . . A 7 ILE HD13 . 25983 1 70 . 1 1 7 7 ILE CA C 13 61.231 0.000 . . . . . A 7 ILE CA . 25983 1 71 . 1 1 7 7 ILE CB C 13 33.711 0.000 . . . . . A 7 ILE CB . 25983 1 72 . 1 1 7 7 ILE CG1 C 13 25.573 0.000 . . . . . A 7 ILE CG1 . 25983 1 73 . 1 1 7 7 ILE CG2 C 13 16.690 0.000 . . . . . A 7 ILE CG2 . 25983 1 74 . 1 1 7 7 ILE CD1 C 13 6.656 0.000 . . . . . A 7 ILE CD1 . 25983 1 75 . 1 1 7 7 ILE N N 15 120.813 0.000 . . . . . A 7 ILE N . 25983 1 76 . 1 1 8 8 GLU H H 1 8.103 0.009 . . . . . A 8 GLU H . 25983 1 77 . 1 1 8 8 GLU HA H 1 3.815 0.003 . . . . . A 8 GLU HA . 25983 1 78 . 1 1 8 8 GLU HB2 H 1 2.026 0.010 . . . . . A 8 GLU HB2 . 25983 1 79 . 1 1 8 8 GLU HB3 H 1 2.050 0.004 . . . . . A 8 GLU HB3 . 25983 1 80 . 1 1 8 8 GLU HG2 H 1 2.242 0.008 . . . . . A 8 GLU HG2 . 25983 1 81 . 1 1 8 8 GLU HG3 H 1 2.311 0.001 . . . . . A 8 GLU HG3 . 25983 1 82 . 1 1 8 8 GLU CA C 13 59.743 0.007 . . . . . A 8 GLU CA . 25983 1 83 . 1 1 8 8 GLU CB C 13 28.593 0.000 . . . . . A 8 GLU CB . 25983 1 84 . 1 1 8 8 GLU CG C 13 35.992 0.160 . . . . . A 8 GLU CG . 25983 1 85 . 1 1 8 8 GLU N N 15 119.361 0.000 . . . . . A 8 GLU N . 25983 1 86 . 1 1 9 9 ARG H H 1 7.508 0.013 . . . . . A 9 ARG H . 25983 1 87 . 1 1 9 9 ARG HA H 1 4.044 0.007 . . . . . A 9 ARG HA . 25983 1 88 . 1 1 9 9 ARG HB2 H 1 1.964 0.006 . . . . . A 9 ARG HB2 . 25983 1 89 . 1 1 9 9 ARG HB3 H 1 1.903 0.005 . . . . . A 9 ARG HB3 . 25983 1 90 . 1 1 9 9 ARG HG2 H 1 1.661 0.009 . . . . . A 9 ARG HG2 . 25983 1 91 . 1 1 9 9 ARG HG3 H 1 1.636 0.010 . . . . . A 9 ARG HG3 . 25983 1 92 . 1 1 9 9 ARG HD2 H 1 3.039 0.005 . . . . . A 9 ARG HD2 . 25983 1 93 . 1 1 9 9 ARG HD3 H 1 3.051 0.003 . . . . . A 9 ARG HD3 . 25983 1 94 . 1 1 9 9 ARG CA C 13 59.198 0.275 . . . . . A 9 ARG CA . 25983 1 95 . 1 1 9 9 ARG CB C 13 29.512 0.029 . . . . . A 9 ARG CB . 25983 1 96 . 1 1 9 9 ARG CG C 13 26.718 0.000 . . . . . A 9 ARG CG . 25983 1 97 . 1 1 9 9 ARG CD C 13 43.029 0.000 . . . . . A 9 ARG CD . 25983 1 98 . 1 1 9 9 ARG N N 15 119.203 0.000 . . . . . A 9 ARG N . 25983 1 99 . 1 1 10 10 ILE H H 1 8.159 0.003 . . . . . A 10 ILE H . 25983 1 100 . 1 1 10 10 ILE HA H 1 3.319 0.008 . . . . . A 10 ILE HA . 25983 1 101 . 1 1 10 10 ILE HB H 1 1.791 0.004 . . . . . A 10 ILE HB . 25983 1 102 . 1 1 10 10 ILE HG12 H 1 1.137 0.005 . . . . . A 10 ILE HG12 . 25983 1 103 . 1 1 10 10 ILE HG13 H 1 1.087 0.007 . . . . . A 10 ILE HG13 . 25983 1 104 . 1 1 10 10 ILE HG21 H 1 0.681 0.007 . . . . . A 10 ILE HG21 . 25983 1 105 . 1 1 10 10 ILE HG22 H 1 0.681 0.007 . . . . . A 10 ILE HG22 . 25983 1 106 . 1 1 10 10 ILE HG23 H 1 0.681 0.007 . . . . . A 10 ILE HG23 . 25983 1 107 . 1 1 10 10 ILE HD11 H 1 0.471 0.009 . . . . . A 10 ILE HD11 . 25983 1 108 . 1 1 10 10 ILE HD12 H 1 0.471 0.009 . . . . . A 10 ILE HD12 . 25983 1 109 . 1 1 10 10 ILE HD13 H 1 0.471 0.009 . . . . . A 10 ILE HD13 . 25983 1 110 . 1 1 10 10 ILE CA C 13 66.617 0.000 . . . . . A 10 ILE CA . 25983 1 111 . 1 1 10 10 ILE CB C 13 37.558 0.000 . . . . . A 10 ILE CB . 25983 1 112 . 1 1 10 10 ILE CG1 C 13 31.531 0.000 . . . . . A 10 ILE CG1 . 25983 1 113 . 1 1 10 10 ILE CG2 C 13 16.793 0.000 . . . . . A 10 ILE CG2 . 25983 1 114 . 1 1 10 10 ILE CD1 C 13 13.392 0.000 . . . . . A 10 ILE CD1 . 25983 1 115 . 1 1 10 10 ILE N N 15 120.381 0.000 . . . . . A 10 ILE N . 25983 1 116 . 1 1 11 11 LYS H H 1 8.964 0.015 . . . . . A 11 LYS H . 25983 1 117 . 1 1 11 11 LYS HA H 1 3.628 0.005 . . . . . A 11 LYS HA . 25983 1 118 . 1 1 11 11 LYS HB2 H 1 1.798 0.007 . . . . . A 11 LYS HB2 . 25983 1 119 . 1 1 11 11 LYS HB3 H 1 1.798 0.000 . . . . . A 11 LYS HB3 . 25983 1 120 . 1 1 11 11 LYS HG2 H 1 1.485 0.005 . . . . . A 11 LYS HG2 . 25983 1 121 . 1 1 11 11 LYS HG3 H 1 1.240 0.002 . . . . . A 11 LYS HG3 . 25983 1 122 . 1 1 11 11 LYS HD2 H 1 1.571 0.008 . . . . . A 11 LYS HD2 . 25983 1 123 . 1 1 11 11 LYS HD3 H 1 1.589 0.008 . . . . . A 11 LYS HD3 . 25983 1 124 . 1 1 11 11 LYS HE2 H 1 2.961 0.005 . . . . . A 11 LYS HE2 . 25983 1 125 . 1 1 11 11 LYS HE3 H 1 2.965 0.016 . . . . . A 11 LYS HE3 . 25983 1 126 . 1 1 11 11 LYS CA C 13 60.713 0.000 . . . . . A 11 LYS CA . 25983 1 127 . 1 1 11 11 LYS CB C 13 32.404 0.000 . . . . . A 11 LYS CB . 25983 1 128 . 1 1 11 11 LYS CG C 13 26.694 0.023 . . . . . A 11 LYS CG . 25983 1 129 . 1 1 11 11 LYS CD C 13 29.820 0.000 . . . . . A 11 LYS CD . 25983 1 130 . 1 1 11 11 LYS CE C 13 41.665 0.121 . . . . . A 11 LYS CE . 25983 1 131 . 1 1 11 11 LYS N N 15 118.637 0.000 . . . . . A 11 LYS N . 25983 1 132 . 1 1 12 12 ALA H H 1 7.947 0.015 . . . . . A 12 ALA H . 25983 1 133 . 1 1 12 12 ALA HA H 1 4.071 0.013 . . . . . A 12 ALA HA . 25983 1 134 . 1 1 12 12 ALA HB1 H 1 1.445 0.010 . . . . . A 12 ALA HB1 . 25983 1 135 . 1 1 12 12 ALA HB2 H 1 1.445 0.010 . . . . . A 12 ALA HB2 . 25983 1 136 . 1 1 12 12 ALA HB3 H 1 1.445 0.010 . . . . . A 12 ALA HB3 . 25983 1 137 . 1 1 12 12 ALA CA C 13 54.569 0.000 . . . . . A 12 ALA CA . 25983 1 138 . 1 1 12 12 ALA CB C 13 17.999 0.235 . . . . . A 12 ALA CB . 25983 1 139 . 1 1 12 12 ALA N N 15 121.382 0.000 . . . . . A 12 ALA N . 25983 1 140 . 1 1 13 13 ARG H H 1 7.634 0.018 . . . . . A 13 ARG H . 25983 1 141 . 1 1 13 13 ARG HA H 1 4.041 0.013 . . . . . A 13 ARG HA . 25983 1 142 . 1 1 13 13 ARG HB2 H 1 1.956 0.016 . . . . . A 13 ARG HB2 . 25983 1 143 . 1 1 13 13 ARG HB3 H 1 1.833 0.017 . . . . . A 13 ARG HB3 . 25983 1 144 . 1 1 13 13 ARG HG2 H 1 1.826 0.009 . . . . . A 13 ARG HG2 . 25983 1 145 . 1 1 13 13 ARG HG3 H 1 1.647 0.014 . . . . . A 13 ARG HG3 . 25983 1 146 . 1 1 13 13 ARG HD2 H 1 3.051 0.008 . . . . . A 13 ARG HD2 . 25983 1 147 . 1 1 13 13 ARG HD3 H 1 3.048 0.000 . . . . . A 13 ARG HD3 . 25983 1 148 . 1 1 13 13 ARG CA C 13 57.598 0.015 . . . . . A 13 ARG CA . 25983 1 149 . 1 1 13 13 ARG CB C 13 29.496 0.167 . . . . . A 13 ARG CB . 25983 1 150 . 1 1 13 13 ARG CG C 13 26.945 0.073 . . . . . A 13 ARG CG . 25983 1 151 . 1 1 13 13 ARG CD C 13 41.802 0.000 . . . . . A 13 ARG CD . 25983 1 152 . 1 1 13 13 ARG N N 15 117.725 0.000 . . . . . A 13 ARG N . 25983 1 153 . 1 1 14 14 VAL H H 1 8.478 0.013 . . . . . A 14 VAL H . 25983 1 154 . 1 1 14 14 VAL HA H 1 3.338 0.003 . . . . . A 14 VAL HA . 25983 1 155 . 1 1 14 14 VAL HB H 1 1.869 0.001 . . . . . A 14 VAL HB . 25983 1 156 . 1 1 14 14 VAL HG11 H 1 0.713 0.012 . . . . . A 14 VAL HG11 . 25983 1 157 . 1 1 14 14 VAL HG12 H 1 0.713 0.012 . . . . . A 14 VAL HG12 . 25983 1 158 . 1 1 14 14 VAL HG13 H 1 0.713 0.012 . . . . . A 14 VAL HG13 . 25983 1 159 . 1 1 14 14 VAL HG21 H 1 0.616 0.004 . . . . . A 14 VAL HG21 . 25983 1 160 . 1 1 14 14 VAL HG22 H 1 0.616 0.004 . . . . . A 14 VAL HG22 . 25983 1 161 . 1 1 14 14 VAL HG23 H 1 0.616 0.004 . . . . . A 14 VAL HG23 . 25983 1 162 . 1 1 14 14 VAL CA C 13 66.621 0.011 . . . . . A 14 VAL CA . 25983 1 163 . 1 1 14 14 VAL CB C 13 31.289 0.000 . . . . . A 14 VAL CB . 25983 1 164 . 1 1 14 14 VAL CG1 C 13 23.471 0.000 . . . . . A 14 VAL CG1 . 25983 1 165 . 1 1 14 14 VAL CG2 C 13 20.787 0.000 . . . . . A 14 VAL CG2 . 25983 1 166 . 1 1 14 14 VAL N N 15 119.943 0.000 . . . . . A 14 VAL N . 25983 1 167 . 1 1 15 15 GLY H H 1 8.158 0.002 . . . . . A 15 GLY H . 25983 1 168 . 1 1 15 15 GLY HA2 H 1 3.752 0.017 . . . . . A 15 GLY HA2 . 25983 1 169 . 1 1 15 15 GLY HA3 H 1 4.047 0.004 . . . . . A 15 GLY HA3 . 25983 1 170 . 1 1 15 15 GLY CA C 13 45.528 0.000 . . . . . A 15 GLY CA . 25983 1 171 . 1 1 15 15 GLY N N 15 104.504 0.000 . . . . . A 15 GLY N . 25983 1 172 . 1 1 16 16 ALA H H 1 7.012 0.007 . . . . . A 16 ALA H . 25983 1 173 . 1 1 16 16 ALA HA H 1 4.402 0.007 . . . . . A 16 ALA HA . 25983 1 174 . 1 1 16 16 ALA HB1 H 1 1.436 0.011 . . . . . A 16 ALA HB1 . 25983 1 175 . 1 1 16 16 ALA HB2 H 1 1.436 0.011 . . . . . A 16 ALA HB2 . 25983 1 176 . 1 1 16 16 ALA HB3 H 1 1.436 0.011 . . . . . A 16 ALA HB3 . 25983 1 177 . 1 1 16 16 ALA CA C 13 51.490 0.000 . . . . . A 16 ALA CA . 25983 1 178 . 1 1 16 16 ALA CB C 13 19.195 0.000 . . . . . A 16 ALA CB . 25983 1 179 . 1 1 16 16 ALA N N 15 119.746 0.000 . . . . . A 16 ALA N . 25983 1 180 . 1 1 17 17 VAL H H 1 7.141 0.008 . . . . . A 17 VAL H . 25983 1 181 . 1 1 17 17 VAL HA H 1 3.724 0.012 . . . . . A 17 VAL HA . 25983 1 182 . 1 1 17 17 VAL HB H 1 2.145 0.011 . . . . . A 17 VAL HB . 25983 1 183 . 1 1 17 17 VAL HG11 H 1 0.728 0.009 . . . . . A 17 VAL HG11 . 25983 1 184 . 1 1 17 17 VAL HG12 H 1 0.728 0.009 . . . . . A 17 VAL HG12 . 25983 1 185 . 1 1 17 17 VAL HG13 H 1 0.728 0.009 . . . . . A 17 VAL HG13 . 25983 1 186 . 1 1 17 17 VAL HG21 H 1 1.019 0.012 . . . . . A 17 VAL HG21 . 25983 1 187 . 1 1 17 17 VAL HG22 H 1 1.019 0.012 . . . . . A 17 VAL HG22 . 25983 1 188 . 1 1 17 17 VAL HG23 H 1 1.019 0.012 . . . . . A 17 VAL HG23 . 25983 1 189 . 1 1 17 17 VAL CA C 13 62.722 0.000 . . . . . A 17 VAL CA . 25983 1 190 . 1 1 17 17 VAL CB C 13 32.437 0.000 . . . . . A 17 VAL CB . 25983 1 191 . 1 1 17 17 VAL CG1 C 13 21.344 0.082 . . . . . A 17 VAL CG1 . 25983 1 192 . 1 1 17 17 VAL CG2 C 13 22.349 0.000 . . . . . A 17 VAL CG2 . 25983 1 193 . 1 1 17 17 VAL N N 15 120.858 0.000 . . . . . A 17 VAL N . 25983 1 194 . 1 1 18 18 ASP H H 1 8.531 0.011 . . . . . A 18 ASP H . 25983 1 195 . 1 1 18 18 ASP HA H 1 4.777 0.005 . . . . . A 18 ASP HA . 25983 1 196 . 1 1 18 18 ASP HB2 H 1 2.689 0.015 . . . . . A 18 ASP HB2 . 25983 1 197 . 1 1 18 18 ASP HB3 H 1 2.807 0.017 . . . . . A 18 ASP HB3 . 25983 1 198 . 1 1 18 18 ASP CA C 13 50.702 0.000 . . . . . A 18 ASP CA . 25983 1 199 . 1 1 18 18 ASP CB C 13 41.043 0.000 . . . . . A 18 ASP CB . 25983 1 200 . 1 1 18 18 ASP N N 15 127.680 0.000 . . . . . A 18 ASP N . 25983 1 201 . 1 1 19 19 PRO HA H 1 4.161 0.011 . . . . . A 19 PRO HA . 25983 1 202 . 1 1 19 19 PRO HB2 H 1 1.878 0.002 . . . . . A 19 PRO HB2 . 25983 1 203 . 1 1 19 19 PRO HB3 H 1 2.244 0.003 . . . . . A 19 PRO HB3 . 25983 1 204 . 1 1 19 19 PRO HG2 H 1 1.995 0.012 . . . . . A 19 PRO HG2 . 25983 1 205 . 1 1 19 19 PRO HG3 H 1 1.949 0.015 . . . . . A 19 PRO HG3 . 25983 1 206 . 1 1 19 19 PRO HD2 H 1 3.967 0.008 . . . . . A 19 PRO HD2 . 25983 1 207 . 1 1 19 19 PRO HD3 H 1 4.181 0.002 . . . . . A 19 PRO HD3 . 25983 1 208 . 1 1 19 19 PRO CA C 13 63.591 0.000 . . . . . A 19 PRO CA . 25983 1 209 . 1 1 19 19 PRO CB C 13 31.778 0.177 . . . . . A 19 PRO CB . 25983 1 210 . 1 1 19 19 PRO CG C 13 26.703 0.000 . . . . . A 19 PRO CG . 25983 1 211 . 1 1 19 19 PRO CD C 13 50.846 0.000 . . . . . A 19 PRO CD . 25983 1 212 . 1 1 20 20 ASN H H 1 8.278 0.002 . . . . . A 20 ASN H . 25983 1 213 . 1 1 20 20 ASN HA H 1 4.825 0.009 . . . . . A 20 ASN HA . 25983 1 214 . 1 1 20 20 ASN HB2 H 1 2.643 0.015 . . . . . A 20 ASN HB2 . 25983 1 215 . 1 1 20 20 ASN HB3 H 1 2.911 0.021 . . . . . A 20 ASN HB3 . 25983 1 216 . 1 1 20 20 ASN HD21 H 1 6.970 0.009 . . . . . A 20 ASN HD21 . 25983 1 217 . 1 1 20 20 ASN HD22 H 1 7.857 0.010 . . . . . A 20 ASN HD22 . 25983 1 218 . 1 1 20 20 ASN CA C 13 52.860 0.000 . . . . . A 20 ASN CA . 25983 1 219 . 1 1 20 20 ASN CB C 13 39.095 0.000 . . . . . A 20 ASN CB . 25983 1 220 . 1 1 20 20 ASN N N 15 113.876 0.000 . . . . . A 20 ASN N . 25983 1 221 . 1 1 20 20 ASN ND2 N 15 114.692 0.000 . . . . . A 20 ASN ND2 . 25983 1 222 . 1 1 21 21 GLY H H 1 7.232 0.013 . . . . . A 21 GLY H . 25983 1 223 . 1 1 21 21 GLY HA2 H 1 3.777 0.014 . . . . . A 21 GLY HA2 . 25983 1 224 . 1 1 21 21 GLY HA3 H 1 4.382 0.009 . . . . . A 21 GLY HA3 . 25983 1 225 . 1 1 21 21 GLY CA C 13 44.357 0.158 . . . . . A 21 GLY CA . 25983 1 226 . 1 1 21 21 GLY N N 15 108.441 0.000 . . . . . A 21 GLY N . 25983 1 227 . 1 1 22 22 PRO HA H 1 4.353 0.005 . . . . . A 22 PRO HA . 25983 1 228 . 1 1 22 22 PRO HB2 H 1 1.844 0.000 . . . . . A 22 PRO HB2 . 25983 1 229 . 1 1 22 22 PRO HB3 H 1 2.175 0.003 . . . . . A 22 PRO HB3 . 25983 1 230 . 1 1 22 22 PRO HG2 H 1 2.060 0.000 . . . . . A 22 PRO HG2 . 25983 1 231 . 1 1 22 22 PRO HG3 H 1 1.970 0.000 . . . . . A 22 PRO HG3 . 25983 1 232 . 1 1 22 22 PRO HD2 H 1 3.565 0.001 . . . . . A 22 PRO HD2 . 25983 1 233 . 1 1 22 22 PRO HD3 H 1 3.528 0.000 . . . . . A 22 PRO HD3 . 25983 1 234 . 1 1 22 22 PRO CA C 13 62.920 0.078 . . . . . A 22 PRO CA . 25983 1 235 . 1 1 22 22 PRO CB C 13 30.995 0.000 . . . . . A 22 PRO CB . 25983 1 236 . 1 1 22 22 PRO CG C 13 27.148 0.000 . . . . . A 22 PRO CG . 25983 1 237 . 1 1 22 22 PRO CD C 13 49.084 0.000 . . . . . A 22 PRO CD . 25983 1 238 . 1 1 23 23 ARG H H 1 8.472 0.027 . . . . . A 23 ARG H . 25983 1 239 . 1 1 23 23 ARG HA H 1 4.544 0.010 . . . . . A 23 ARG HA . 25983 1 240 . 1 1 23 23 ARG HB2 H 1 1.702 0.006 . . . . . A 23 ARG HB2 . 25983 1 241 . 1 1 23 23 ARG HB3 H 1 1.701 0.000 . . . . . A 23 ARG HB3 . 25983 1 242 . 1 1 23 23 ARG HG2 H 1 1.678 0.018 . . . . . A 23 ARG HG2 . 25983 1 243 . 1 1 23 23 ARG HD2 H 1 3.071 0.005 . . . . . A 23 ARG HD2 . 25983 1 244 . 1 1 23 23 ARG HD3 H 1 3.126 0.015 . . . . . A 23 ARG HD3 . 25983 1 245 . 1 1 23 23 ARG CA C 13 53.101 0.000 . . . . . A 23 ARG CA . 25983 1 246 . 1 1 23 23 ARG CB C 13 31.747 0.010 . . . . . A 23 ARG CB . 25983 1 247 . 1 1 23 23 ARG CG C 13 27.093 0.046 . . . . . A 23 ARG CG . 25983 1 248 . 1 1 23 23 ARG CD C 13 40.970 0.000 . . . . . A 23 ARG CD . 25983 1 249 . 1 1 23 23 ARG N N 15 123.737 0.000 . . . . . A 23 ARG N . 25983 1 250 . 1 1 24 24 LYS H H 1 10.307 0.005 . . . . . A 24 LYS H . 25983 1 251 . 1 1 24 24 LYS HA H 1 4.358 0.011 . . . . . A 24 LYS HA . 25983 1 252 . 1 1 24 24 LYS HB2 H 1 1.660 0.006 . . . . . A 24 LYS HB2 . 25983 1 253 . 1 1 24 24 LYS HB3 H 1 1.708 0.002 . . . . . A 24 LYS HB3 . 25983 1 254 . 1 1 24 24 LYS HG2 H 1 1.329 0.011 . . . . . A 24 LYS HG2 . 25983 1 255 . 1 1 24 24 LYS HG3 H 1 1.384 0.005 . . . . . A 24 LYS HG3 . 25983 1 256 . 1 1 24 24 LYS HD2 H 1 1.595 0.014 . . . . . A 24 LYS HD2 . 25983 1 257 . 1 1 24 24 LYS HE2 H 1 2.903 0.010 . . . . . A 24 LYS HE2 . 25983 1 258 . 1 1 24 24 LYS CA C 13 56.846 0.000 . . . . . A 24 LYS CA . 25983 1 259 . 1 1 24 24 LYS CB C 13 34.843 0.000 . . . . . A 24 LYS CB . 25983 1 260 . 1 1 24 24 LYS CG C 13 24.807 0.075 . . . . . A 24 LYS CG . 25983 1 261 . 1 1 24 24 LYS CD C 13 29.189 0.000 . . . . . A 24 LYS CD . 25983 1 262 . 1 1 24 24 LYS CE C 13 41.818 0.138 . . . . . A 24 LYS CE . 25983 1 263 . 1 1 24 24 LYS N N 15 123.395 0.000 . . . . . A 24 LYS N . 25983 1 264 . 1 1 25 25 VAL H H 1 9.085 0.006 . . . . . A 25 VAL H . 25983 1 265 . 1 1 25 25 VAL HA H 1 4.035 0.003 . . . . . A 25 VAL HA . 25983 1 266 . 1 1 25 25 VAL HB H 1 2.184 0.006 . . . . . A 25 VAL HB . 25983 1 267 . 1 1 25 25 VAL HG11 H 1 0.692 0.005 . . . . . A 25 VAL HG11 . 25983 1 268 . 1 1 25 25 VAL HG12 H 1 0.692 0.005 . . . . . A 25 VAL HG12 . 25983 1 269 . 1 1 25 25 VAL HG13 H 1 0.692 0.005 . . . . . A 25 VAL HG13 . 25983 1 270 . 1 1 25 25 VAL HG21 H 1 0.864 0.005 . . . . . A 25 VAL HG21 . 25983 1 271 . 1 1 25 25 VAL HG22 H 1 0.864 0.005 . . . . . A 25 VAL HG22 . 25983 1 272 . 1 1 25 25 VAL HG23 H 1 0.864 0.005 . . . . . A 25 VAL HG23 . 25983 1 273 . 1 1 25 25 VAL CA C 13 61.022 0.076 . . . . . A 25 VAL CA . 25983 1 274 . 1 1 25 25 VAL CB C 13 31.915 0.000 . . . . . A 25 VAL CB . 25983 1 275 . 1 1 25 25 VAL CG1 C 13 20.798 0.324 . . . . . A 25 VAL CG1 . 25983 1 276 . 1 1 25 25 VAL CG2 C 13 23.482 0.000 . . . . . A 25 VAL CG2 . 25983 1 277 . 1 1 25 25 VAL N N 15 122.541 0.000 . . . . . A 25 VAL N . 25983 1 278 . 1 1 26 26 LEU H H 1 8.049 0.008 . . . . . A 26 LEU H . 25983 1 279 . 1 1 26 26 LEU HA H 1 4.419 0.013 . . . . . A 26 LEU HA . 25983 1 280 . 1 1 26 26 LEU HB2 H 1 1.236 0.011 . . . . . A 26 LEU HB2 . 25983 1 281 . 1 1 26 26 LEU HB3 H 1 1.688 0.013 . . . . . A 26 LEU HB3 . 25983 1 282 . 1 1 26 26 LEU HG H 1 1.371 0.009 . . . . . A 26 LEU HG . 25983 1 283 . 1 1 26 26 LEU HD11 H 1 0.863 0.007 . . . . . A 26 LEU HD11 . 25983 1 284 . 1 1 26 26 LEU HD12 H 1 0.863 0.007 . . . . . A 26 LEU HD12 . 25983 1 285 . 1 1 26 26 LEU HD13 H 1 0.863 0.007 . . . . . A 26 LEU HD13 . 25983 1 286 . 1 1 26 26 LEU HD21 H 1 0.863 0.009 . . . . . A 26 LEU HD21 . 25983 1 287 . 1 1 26 26 LEU HD22 H 1 0.863 0.009 . . . . . A 26 LEU HD22 . 25983 1 288 . 1 1 26 26 LEU HD23 H 1 0.863 0.009 . . . . . A 26 LEU HD23 . 25983 1 289 . 1 1 26 26 LEU CA C 13 52.522 0.000 . . . . . A 26 LEU CA . 25983 1 290 . 1 1 26 26 LEU CB C 13 41.999 0.000 . . . . . A 26 LEU CB . 25983 1 291 . 1 1 26 26 LEU CG C 13 26.768 0.120 . . . . . A 26 LEU CG . 25983 1 292 . 1 1 26 26 LEU CD1 C 13 25.163 0.000 . . . . . A 26 LEU CD1 . 25983 1 293 . 1 1 26 26 LEU CD2 C 13 24.022 0.000 . . . . . A 26 LEU CD2 . 25983 1 294 . 1 1 26 26 LEU N N 15 124.579 0.000 . . . . . A 26 LEU N . 25983 1 295 . 1 1 27 27 GLY H H 1 6.567 0.011 . . . . . A 27 GLY H . 25983 1 296 . 1 1 27 27 GLY HA2 H 1 3.580 0.013 . . . . . A 27 GLY HA2 . 25983 1 297 . 1 1 27 27 GLY HA3 H 1 4.092 0.016 . . . . . A 27 GLY HA3 . 25983 1 298 . 1 1 27 27 GLY CA C 13 44.399 0.176 . . . . . A 27 GLY CA . 25983 1 299 . 1 1 27 27 GLY N N 15 105.267 0.000 . . . . . A 27 GLY N . 25983 1 300 . 1 1 28 28 VAL H H 1 9.945 0.007 . . . . . A 28 VAL H . 25983 1 301 . 1 1 28 28 VAL HA H 1 4.379 0.009 . . . . . A 28 VAL HA . 25983 1 302 . 1 1 28 28 VAL HB H 1 1.510 0.015 . . . . . A 28 VAL HB . 25983 1 303 . 1 1 28 28 VAL HG11 H 1 -0.235 0.010 . . . . . A 28 VAL HG11 . 25983 1 304 . 1 1 28 28 VAL HG12 H 1 -0.235 0.010 . . . . . A 28 VAL HG12 . 25983 1 305 . 1 1 28 28 VAL HG13 H 1 -0.235 0.010 . . . . . A 28 VAL HG13 . 25983 1 306 . 1 1 28 28 VAL HG21 H 1 0.580 0.009 . . . . . A 28 VAL HG21 . 25983 1 307 . 1 1 28 28 VAL HG22 H 1 0.580 0.009 . . . . . A 28 VAL HG22 . 25983 1 308 . 1 1 28 28 VAL HG23 H 1 0.580 0.009 . . . . . A 28 VAL HG23 . 25983 1 309 . 1 1 28 28 VAL CA C 13 62.905 0.000 . . . . . A 28 VAL CA . 25983 1 310 . 1 1 28 28 VAL CB C 13 32.527 0.000 . . . . . A 28 VAL CB . 25983 1 311 . 1 1 28 28 VAL CG1 C 13 20.530 0.000 . . . . . A 28 VAL CG1 . 25983 1 312 . 1 1 28 28 VAL CG2 C 13 20.474 0.000 . . . . . A 28 VAL CG2 . 25983 1 313 . 1 1 28 28 VAL N N 15 121.617 0.000 . . . . . A 28 VAL N . 25983 1 314 . 1 1 29 29 PHE H H 1 8.899 0.006 . . . . . A 29 PHE H . 25983 1 315 . 1 1 29 29 PHE HA H 1 5.093 0.006 . . . . . A 29 PHE HA . 25983 1 316 . 1 1 29 29 PHE HB2 H 1 2.419 0.007 . . . . . A 29 PHE HB2 . 25983 1 317 . 1 1 29 29 PHE HB3 H 1 3.227 0.020 . . . . . A 29 PHE HB3 . 25983 1 318 . 1 1 29 29 PHE HD1 H 1 7.065 0.000 . . . . . A 29 PHE HD1 . 25983 1 319 . 1 1 29 29 PHE HD2 H 1 7.065 0.000 . . . . . A 29 PHE HD2 . 25983 1 320 . 1 1 29 29 PHE HE1 H 1 6.829 0.006 . . . . . A 29 PHE HE1 . 25983 1 321 . 1 1 29 29 PHE HE2 H 1 6.829 0.006 . . . . . A 29 PHE HE2 . 25983 1 322 . 1 1 29 29 PHE HZ H 1 6.997 0.012 . . . . . A 29 PHE HZ . 25983 1 323 . 1 1 29 29 PHE CA C 13 55.160 0.000 . . . . . A 29 PHE CA . 25983 1 324 . 1 1 29 29 PHE CB C 13 40.356 0.000 . . . . . A 29 PHE CB . 25983 1 325 . 1 1 29 29 PHE CD1 C 13 131.881 0.000 . . . . . A 29 PHE CD1 . 25983 1 326 . 1 1 29 29 PHE CE1 C 13 130.287 0.000 . . . . . A 29 PHE CE1 . 25983 1 327 . 1 1 29 29 PHE CZ C 13 129.032 0.000 . . . . . A 29 PHE CZ . 25983 1 328 . 1 1 29 29 PHE N N 15 126.651 0.000 . . . . . A 29 PHE N . 25983 1 329 . 1 1 30 30 GLN H H 1 9.091 0.015 . . . . . A 30 GLN H . 25983 1 330 . 1 1 30 30 GLN HA H 1 4.686 0.006 . . . . . A 30 GLN HA . 25983 1 331 . 1 1 30 30 GLN HB2 H 1 2.034 0.004 . . . . . A 30 GLN HB2 . 25983 1 332 . 1 1 30 30 GLN HB3 H 1 2.365 0.009 . . . . . A 30 GLN HB3 . 25983 1 333 . 1 1 30 30 GLN HG2 H 1 2.490 0.017 . . . . . A 30 GLN HG2 . 25983 1 334 . 1 1 30 30 GLN HG3 H 1 2.033 0.014 . . . . . A 30 GLN HG3 . 25983 1 335 . 1 1 30 30 GLN HE21 H 1 7.510 0.002 . . . . . A 30 GLN HE21 . 25983 1 336 . 1 1 30 30 GLN HE22 H 1 6.551 0.016 . . . . . A 30 GLN HE22 . 25983 1 337 . 1 1 30 30 GLN CA C 13 54.448 0.000 . . . . . A 30 GLN CA . 25983 1 338 . 1 1 30 30 GLN CB C 13 30.664 0.000 . . . . . A 30 GLN CB . 25983 1 339 . 1 1 30 30 GLN CG C 13 33.654 0.000 . . . . . A 30 GLN CG . 25983 1 340 . 1 1 30 30 GLN N N 15 124.823 0.000 . . . . . A 30 GLN N . 25983 1 341 . 1 1 30 30 GLN NE2 N 15 113.387 0.000 . . . . . A 30 GLN NE2 . 25983 1 342 . 1 1 31 31 LEU H H 1 9.853 0.045 . . . . . A 31 LEU H . 25983 1 343 . 1 1 31 31 LEU HA H 1 5.115 0.002 . . . . . A 31 LEU HA . 25983 1 344 . 1 1 31 31 LEU HB2 H 1 1.139 0.002 . . . . . A 31 LEU HB2 . 25983 1 345 . 1 1 31 31 LEU HB3 H 1 2.081 0.008 . . . . . A 31 LEU HB3 . 25983 1 346 . 1 1 31 31 LEU HG H 1 1.564 0.004 . . . . . A 31 LEU HG . 25983 1 347 . 1 1 31 31 LEU HD11 H 1 0.588 0.001 . . . . . A 31 LEU HD11 . 25983 1 348 . 1 1 31 31 LEU HD12 H 1 0.588 0.001 . . . . . A 31 LEU HD12 . 25983 1 349 . 1 1 31 31 LEU HD13 H 1 0.588 0.001 . . . . . A 31 LEU HD13 . 25983 1 350 . 1 1 31 31 LEU HD21 H 1 0.726 0.002 . . . . . A 31 LEU HD21 . 25983 1 351 . 1 1 31 31 LEU HD22 H 1 0.726 0.002 . . . . . A 31 LEU HD22 . 25983 1 352 . 1 1 31 31 LEU HD23 H 1 0.726 0.002 . . . . . A 31 LEU HD23 . 25983 1 353 . 1 1 31 31 LEU CA C 13 53.383 0.000 . . . . . A 31 LEU CA . 25983 1 354 . 1 1 31 31 LEU CB C 13 43.657 0.000 . . . . . A 31 LEU CB . 25983 1 355 . 1 1 31 31 LEU CG C 13 27.059 0.000 . . . . . A 31 LEU CG . 25983 1 356 . 1 1 31 31 LEU CD1 C 13 25.407 0.000 . . . . . A 31 LEU CD1 . 25983 1 357 . 1 1 31 31 LEU CD2 C 13 23.509 0.000 . . . . . A 31 LEU CD2 . 25983 1 358 . 1 1 31 31 LEU N N 15 130.821 0.000 . . . . . A 31 LEU N . 25983 1 359 . 1 1 32 32 ASN H H 1 9.435 0.005 . . . . . A 32 ASN H . 25983 1 360 . 1 1 32 32 ASN HA H 1 5.451 0.012 . . . . . A 32 ASN HA . 25983 1 361 . 1 1 32 32 ASN HB2 H 1 2.367 0.010 . . . . . A 32 ASN HB2 . 25983 1 362 . 1 1 32 32 ASN HB3 H 1 3.200 0.016 . . . . . A 32 ASN HB3 . 25983 1 363 . 1 1 32 32 ASN HD21 H 1 6.517 0.006 . . . . . A 32 ASN HD21 . 25983 1 364 . 1 1 32 32 ASN HD22 H 1 6.753 0.009 . . . . . A 32 ASN HD22 . 25983 1 365 . 1 1 32 32 ASN CA C 13 51.092 0.000 . . . . . A 32 ASN CA . 25983 1 366 . 1 1 32 32 ASN CB C 13 39.681 0.000 . . . . . A 32 ASN CB . 25983 1 367 . 1 1 32 32 ASN N N 15 126.994 0.000 . . . . . A 32 ASN N . 25983 1 368 . 1 1 32 32 ASN ND2 N 15 109.873 0.000 . . . . . A 32 ASN ND2 . 25983 1 369 . 1 1 33 33 ILE H H 1 9.225 0.002 . . . . . A 33 ILE H . 25983 1 370 . 1 1 33 33 ILE HA H 1 4.982 0.011 . . . . . A 33 ILE HA . 25983 1 371 . 1 1 33 33 ILE HB H 1 1.956 0.012 . . . . . A 33 ILE HB . 25983 1 372 . 1 1 33 33 ILE HG12 H 1 1.761 0.009 . . . . . A 33 ILE HG12 . 25983 1 373 . 1 1 33 33 ILE HG13 H 1 1.722 0.009 . . . . . A 33 ILE HG13 . 25983 1 374 . 1 1 33 33 ILE HG21 H 1 0.788 0.010 . . . . . A 33 ILE HG21 . 25983 1 375 . 1 1 33 33 ILE HG22 H 1 0.788 0.010 . . . . . A 33 ILE HG22 . 25983 1 376 . 1 1 33 33 ILE HG23 H 1 0.788 0.010 . . . . . A 33 ILE HG23 . 25983 1 377 . 1 1 33 33 ILE HD11 H 1 0.693 0.013 . . . . . A 33 ILE HD11 . 25983 1 378 . 1 1 33 33 ILE HD12 H 1 0.693 0.013 . . . . . A 33 ILE HD12 . 25983 1 379 . 1 1 33 33 ILE HD13 H 1 0.693 0.013 . . . . . A 33 ILE HD13 . 25983 1 380 . 1 1 33 33 ILE CA C 13 59.289 0.000 . . . . . A 33 ILE CA . 25983 1 381 . 1 1 33 33 ILE CB C 13 39.444 0.000 . . . . . A 33 ILE CB . 25983 1 382 . 1 1 33 33 ILE CG1 C 13 26.884 0.127 . . . . . A 33 ILE CG1 . 25983 1 383 . 1 1 33 33 ILE CG2 C 13 17.344 0.000 . . . . . A 33 ILE CG2 . 25983 1 384 . 1 1 33 33 ILE CD1 C 13 14.108 0.000 . . . . . A 33 ILE CD1 . 25983 1 385 . 1 1 33 33 ILE N N 15 122.552 0.000 . . . . . A 33 ILE N . 25983 1 386 . 1 1 34 34 LYS H H 1 9.002 0.019 . . . . . A 34 LYS H . 25983 1 387 . 1 1 34 34 LYS HA H 1 4.566 0.002 . . . . . A 34 LYS HA . 25983 1 388 . 1 1 34 34 LYS HB2 H 1 1.719 0.012 . . . . . A 34 LYS HB2 . 25983 1 389 . 1 1 34 34 LYS HB3 H 1 1.922 0.002 . . . . . A 34 LYS HB3 . 25983 1 390 . 1 1 34 34 LYS HG2 H 1 1.333 0.006 . . . . . A 34 LYS HG2 . 25983 1 391 . 1 1 34 34 LYS HG3 H 1 1.378 0.007 . . . . . A 34 LYS HG3 . 25983 1 392 . 1 1 34 34 LYS HD2 H 1 1.689 0.011 . . . . . A 34 LYS HD2 . 25983 1 393 . 1 1 34 34 LYS HE2 H 1 2.904 0.013 . . . . . A 34 LYS HE2 . 25983 1 394 . 1 1 34 34 LYS CA C 13 57.134 0.173 . . . . . A 34 LYS CA . 25983 1 395 . 1 1 34 34 LYS CB C 13 32.086 0.000 . . . . . A 34 LYS CB . 25983 1 396 . 1 1 34 34 LYS CG C 13 24.724 0.038 . . . . . A 34 LYS CG . 25983 1 397 . 1 1 34 34 LYS CD C 13 29.442 0.000 . . . . . A 34 LYS CD . 25983 1 398 . 1 1 34 34 LYS CE C 13 41.983 0.000 . . . . . A 34 LYS CE . 25983 1 399 . 1 1 34 34 LYS N N 15 127.342 0.000 . . . . . A 34 LYS N . 25983 1 400 . 1 1 35 35 THR H H 1 8.647 0.005 . . . . . A 35 THR H . 25983 1 401 . 1 1 35 35 THR HA H 1 4.898 0.008 . . . . . A 35 THR HA . 25983 1 402 . 1 1 35 35 THR HB H 1 4.685 0.020 . . . . . A 35 THR HB . 25983 1 403 . 1 1 35 35 THR HG21 H 1 1.249 0.014 . . . . . A 35 THR HG21 . 25983 1 404 . 1 1 35 35 THR HG22 H 1 1.249 0.014 . . . . . A 35 THR HG22 . 25983 1 405 . 1 1 35 35 THR HG23 H 1 1.249 0.014 . . . . . A 35 THR HG23 . 25983 1 406 . 1 1 35 35 THR CA C 13 59.822 0.000 . . . . . A 35 THR CA . 25983 1 407 . 1 1 35 35 THR CB C 13 70.784 0.000 . . . . . A 35 THR CB . 25983 1 408 . 1 1 35 35 THR CG2 C 13 21.557 0.000 . . . . . A 35 THR CG2 . 25983 1 409 . 1 1 35 35 THR N N 15 118.610 0.000 . . . . . A 35 THR N . 25983 1 410 . 1 1 36 36 ALA H H 1 9.019 0.006 . . . . . A 36 ALA H . 25983 1 411 . 1 1 36 36 ALA HA H 1 4.223 0.004 . . . . . A 36 ALA HA . 25983 1 412 . 1 1 36 36 ALA HB1 H 1 1.476 0.001 . . . . . A 36 ALA HB1 . 25983 1 413 . 1 1 36 36 ALA HB2 H 1 1.476 0.001 . . . . . A 36 ALA HB2 . 25983 1 414 . 1 1 36 36 ALA HB3 H 1 1.476 0.001 . . . . . A 36 ALA HB3 . 25983 1 415 . 1 1 36 36 ALA CA C 13 54.578 0.000 . . . . . A 36 ALA CA . 25983 1 416 . 1 1 36 36 ALA CB C 13 18.349 0.228 . . . . . A 36 ALA CB . 25983 1 417 . 1 1 36 36 ALA N N 15 121.424 0.000 . . . . . A 36 ALA N . 25983 1 418 . 1 1 37 37 SER H H 1 8.061 0.018 . . . . . A 37 SER H . 25983 1 419 . 1 1 37 37 SER HA H 1 4.617 0.010 . . . . . A 37 SER HA . 25983 1 420 . 1 1 37 37 SER HB2 H 1 3.777 0.002 . . . . . A 37 SER HB2 . 25983 1 421 . 1 1 37 37 SER HB3 H 1 3.889 0.006 . . . . . A 37 SER HB3 . 25983 1 422 . 1 1 37 37 SER CA C 13 57.341 0.000 . . . . . A 37 SER CA . 25983 1 423 . 1 1 37 37 SER CB C 13 63.932 0.000 . . . . . A 37 SER CB . 25983 1 424 . 1 1 37 37 SER N N 15 109.018 0.000 . . . . . A 37 SER N . 25983 1 425 . 1 1 38 38 GLY H H 1 7.429 0.012 . . . . . A 38 GLY H . 25983 1 426 . 1 1 38 38 GLY HA2 H 1 3.874 0.006 . . . . . A 38 GLY HA2 . 25983 1 427 . 1 1 38 38 GLY HA3 H 1 4.305 0.012 . . . . . A 38 GLY HA3 . 25983 1 428 . 1 1 38 38 GLY CA C 13 44.842 0.000 . . . . . A 38 GLY CA . 25983 1 429 . 1 1 38 38 GLY N N 15 110.559 0.000 . . . . . A 38 GLY N . 25983 1 430 . 1 1 39 39 VAL H H 1 8.479 0.009 . . . . . A 39 VAL H . 25983 1 431 . 1 1 39 39 VAL HA H 1 4.921 0.012 . . . . . A 39 VAL HA . 25983 1 432 . 1 1 39 39 VAL HB H 1 1.879 0.003 . . . . . A 39 VAL HB . 25983 1 433 . 1 1 39 39 VAL HG11 H 1 0.715 0.009 . . . . . A 39 VAL HG11 . 25983 1 434 . 1 1 39 39 VAL HG12 H 1 0.715 0.009 . . . . . A 39 VAL HG12 . 25983 1 435 . 1 1 39 39 VAL HG13 H 1 0.715 0.009 . . . . . A 39 VAL HG13 . 25983 1 436 . 1 1 39 39 VAL HG21 H 1 0.855 0.012 . . . . . A 39 VAL HG21 . 25983 1 437 . 1 1 39 39 VAL HG22 H 1 0.855 0.012 . . . . . A 39 VAL HG22 . 25983 1 438 . 1 1 39 39 VAL HG23 H 1 0.855 0.012 . . . . . A 39 VAL HG23 . 25983 1 439 . 1 1 39 39 VAL CA C 13 60.552 0.000 . . . . . A 39 VAL CA . 25983 1 440 . 1 1 39 39 VAL CB C 13 33.654 0.000 . . . . . A 39 VAL CB . 25983 1 441 . 1 1 39 39 VAL CG1 C 13 21.188 0.108 . . . . . A 39 VAL CG1 . 25983 1 442 . 1 1 39 39 VAL CG2 C 13 21.232 0.000 . . . . . A 39 VAL CG2 . 25983 1 443 . 1 1 39 39 VAL N N 15 122.388 0.000 . . . . . A 39 VAL N . 25983 1 444 . 1 1 40 40 GLU H H 1 9.351 0.009 . . . . . A 40 GLU H . 25983 1 445 . 1 1 40 40 GLU HA H 1 4.638 0.008 . . . . . A 40 GLU HA . 25983 1 446 . 1 1 40 40 GLU HB2 H 1 2.035 0.014 . . . . . A 40 GLU HB2 . 25983 1 447 . 1 1 40 40 GLU HB3 H 1 2.296 0.002 . . . . . A 40 GLU HB3 . 25983 1 448 . 1 1 40 40 GLU HG2 H 1 2.289 0.008 . . . . . A 40 GLU HG2 . 25983 1 449 . 1 1 40 40 GLU HG3 H 1 2.387 0.008 . . . . . A 40 GLU HG3 . 25983 1 450 . 1 1 40 40 GLU CA C 13 54.964 0.000 . . . . . A 40 GLU CA . 25983 1 451 . 1 1 40 40 GLU CB C 13 30.909 0.000 . . . . . A 40 GLU CB . 25983 1 452 . 1 1 40 40 GLU CG C 13 35.728 0.000 . . . . . A 40 GLU CG . 25983 1 453 . 1 1 40 40 GLU N N 15 128.105 0.000 . . . . . A 40 GLU N . 25983 1 454 . 1 1 41 41 GLN H H 1 8.469 0.005 . . . . . A 41 GLN H . 25983 1 455 . 1 1 41 41 GLN HA H 1 5.473 0.008 . . . . . A 41 GLN HA . 25983 1 456 . 1 1 41 41 GLN HB2 H 1 1.673 0.005 . . . . . A 41 GLN HB2 . 25983 1 457 . 1 1 41 41 GLN HB3 H 1 1.743 0.015 . . . . . A 41 GLN HB3 . 25983 1 458 . 1 1 41 41 GLN HG2 H 1 2.409 0.015 . . . . . A 41 GLN HG2 . 25983 1 459 . 1 1 41 41 GLN HG3 H 1 1.949 0.007 . . . . . A 41 GLN HG3 . 25983 1 460 . 1 1 41 41 GLN HE21 H 1 7.566 0.018 . . . . . A 41 GLN HE21 . 25983 1 461 . 1 1 41 41 GLN HE22 H 1 6.687 0.006 . . . . . A 41 GLN HE22 . 25983 1 462 . 1 1 41 41 GLN CA C 13 56.153 0.000 . . . . . A 41 GLN CA . 25983 1 463 . 1 1 41 41 GLN CB C 13 31.723 0.000 . . . . . A 41 GLN CB . 25983 1 464 . 1 1 41 41 GLN CG C 13 34.985 0.000 . . . . . A 41 GLN CG . 25983 1 465 . 1 1 41 41 GLN N N 15 123.209 0.000 . . . . . A 41 GLN N . 25983 1 466 . 1 1 41 41 GLN NE2 N 15 111.759 0.000 . . . . . A 41 GLN NE2 . 25983 1 467 . 1 1 42 42 TRP H H 1 9.427 0.008 . . . . . A 42 TRP H . 25983 1 468 . 1 1 42 42 TRP HA H 1 4.816 0.012 . . . . . A 42 TRP HA . 25983 1 469 . 1 1 42 42 TRP HB2 H 1 2.800 0.013 . . . . . A 42 TRP HB2 . 25983 1 470 . 1 1 42 42 TRP HB3 H 1 3.001 0.009 . . . . . A 42 TRP HB3 . 25983 1 471 . 1 1 42 42 TRP HD1 H 1 6.764 0.016 . . . . . A 42 TRP HD1 . 25983 1 472 . 1 1 42 42 TRP HE1 H 1 10.402 0.021 . . . . . A 42 TRP HE1 . 25983 1 473 . 1 1 42 42 TRP HE3 H 1 7.166 0.004 . . . . . A 42 TRP HE3 . 25983 1 474 . 1 1 42 42 TRP HZ2 H 1 7.430 0.009 . . . . . A 42 TRP HZ2 . 25983 1 475 . 1 1 42 42 TRP HZ3 H 1 6.932 0.002 . . . . . A 42 TRP HZ3 . 25983 1 476 . 1 1 42 42 TRP HH2 H 1 7.174 0.005 . . . . . A 42 TRP HH2 . 25983 1 477 . 1 1 42 42 TRP CA C 13 57.022 0.000 . . . . . A 42 TRP CA . 25983 1 478 . 1 1 42 42 TRP CB C 13 33.186 0.000 . . . . . A 42 TRP CB . 25983 1 479 . 1 1 42 42 TRP CD1 C 13 124.354 0.000 . . . . . A 42 TRP CD1 . 25983 1 480 . 1 1 42 42 TRP CE3 C 13 119.661 0.000 . . . . . A 42 TRP CE3 . 25983 1 481 . 1 1 42 42 TRP CZ2 C 13 114.438 0.000 . . . . . A 42 TRP CZ2 . 25983 1 482 . 1 1 42 42 TRP CZ3 C 13 121.459 0.000 . . . . . A 42 TRP CZ3 . 25983 1 483 . 1 1 42 42 TRP CH2 C 13 124.343 0.000 . . . . . A 42 TRP CH2 . 25983 1 484 . 1 1 42 42 TRP N N 15 124.870 0.000 . . . . . A 42 TRP N . 25983 1 485 . 1 1 42 42 TRP NE1 N 15 128.993 0.000 . . . . . A 42 TRP NE1 . 25983 1 486 . 1 1 43 43 ILE H H 1 9.751 0.008 . . . . . A 43 ILE H . 25983 1 487 . 1 1 43 43 ILE HA H 1 4.307 0.011 . . . . . A 43 ILE HA . 25983 1 488 . 1 1 43 43 ILE HB H 1 1.820 0.004 . . . . . A 43 ILE HB . 25983 1 489 . 1 1 43 43 ILE HG12 H 1 1.563 0.002 . . . . . A 43 ILE HG12 . 25983 1 490 . 1 1 43 43 ILE HG13 H 1 1.569 0.018 . . . . . A 43 ILE HG13 . 25983 1 491 . 1 1 43 43 ILE HG21 H 1 0.616 0.004 . . . . . A 43 ILE HG21 . 25983 1 492 . 1 1 43 43 ILE HG22 H 1 0.616 0.004 . . . . . A 43 ILE HG22 . 25983 1 493 . 1 1 43 43 ILE HG23 H 1 0.616 0.004 . . . . . A 43 ILE HG23 . 25983 1 494 . 1 1 43 43 ILE HD11 H 1 0.659 0.003 . . . . . A 43 ILE HD11 . 25983 1 495 . 1 1 43 43 ILE HD12 H 1 0.659 0.003 . . . . . A 43 ILE HD12 . 25983 1 496 . 1 1 43 43 ILE HD13 H 1 0.659 0.003 . . . . . A 43 ILE HD13 . 25983 1 497 . 1 1 43 43 ILE CA C 13 60.343 0.000 . . . . . A 43 ILE CA . 25983 1 498 . 1 1 43 43 ILE CB C 13 40.222 0.000 . . . . . A 43 ILE CB . 25983 1 499 . 1 1 43 43 ILE CG1 C 13 26.718 0.000 . . . . . A 43 ILE CG1 . 25983 1 500 . 1 1 43 43 ILE CG2 C 13 18.269 0.000 . . . . . A 43 ILE CG2 . 25983 1 501 . 1 1 43 43 ILE CD1 C 13 14.043 0.000 . . . . . A 43 ILE CD1 . 25983 1 502 . 1 1 43 43 ILE N N 15 122.321 0.000 . . . . . A 43 ILE N . 25983 1 503 . 1 1 44 44 VAL H H 1 9.184 0.014 . . . . . A 44 VAL H . 25983 1 504 . 1 1 44 44 VAL HA H 1 4.360 0.019 . . . . . A 44 VAL HA . 25983 1 505 . 1 1 44 44 VAL HB H 1 2.225 0.008 . . . . . A 44 VAL HB . 25983 1 506 . 1 1 44 44 VAL HG11 H 1 0.686 0.011 . . . . . A 44 VAL HG11 . 25983 1 507 . 1 1 44 44 VAL HG12 H 1 0.686 0.011 . . . . . A 44 VAL HG12 . 25983 1 508 . 1 1 44 44 VAL HG13 H 1 0.686 0.011 . . . . . A 44 VAL HG13 . 25983 1 509 . 1 1 44 44 VAL HG21 H 1 0.852 0.008 . . . . . A 44 VAL HG21 . 25983 1 510 . 1 1 44 44 VAL HG22 H 1 0.852 0.008 . . . . . A 44 VAL HG22 . 25983 1 511 . 1 1 44 44 VAL HG23 H 1 0.852 0.008 . . . . . A 44 VAL HG23 . 25983 1 512 . 1 1 44 44 VAL CA C 13 61.540 0.000 . . . . . A 44 VAL CA . 25983 1 513 . 1 1 44 44 VAL CB C 13 31.400 0.000 . . . . . A 44 VAL CB . 25983 1 514 . 1 1 44 44 VAL CG1 C 13 20.270 0.000 . . . . . A 44 VAL CG1 . 25983 1 515 . 1 1 44 44 VAL CG2 C 13 20.165 0.000 . . . . . A 44 VAL CG2 . 25983 1 516 . 1 1 44 44 VAL N N 15 126.601 0.000 . . . . . A 44 VAL N . 25983 1 517 . 1 1 45 45 ASP H H 1 8.906 0.010 . . . . . A 45 ASP H . 25983 1 518 . 1 1 45 45 ASP HA H 1 4.805 0.010 . . . . . A 45 ASP HA . 25983 1 519 . 1 1 45 45 ASP HB2 H 1 3.216 0.012 . . . . . A 45 ASP HB2 . 25983 1 520 . 1 1 45 45 ASP HB3 H 1 2.215 0.000 . . . . . A 45 ASP HB3 . 25983 1 521 . 1 1 45 45 ASP CA C 13 53.098 0.000 . . . . . A 45 ASP CA . 25983 1 522 . 1 1 45 45 ASP CB C 13 41.069 0.000 . . . . . A 45 ASP CB . 25983 1 523 . 1 1 45 45 ASP N N 15 126.401 0.000 . . . . . A 45 ASP N . 25983 1 524 . 1 1 46 46 LEU H H 1 8.608 0.005 . . . . . A 46 LEU H . 25983 1 525 . 1 1 46 46 LEU HA H 1 4.565 0.003 . . . . . A 46 LEU HA . 25983 1 526 . 1 1 46 46 LEU HB2 H 1 2.082 0.008 . . . . . A 46 LEU HB2 . 25983 1 527 . 1 1 46 46 LEU HB3 H 1 2.305 0.005 . . . . . A 46 LEU HB3 . 25983 1 528 . 1 1 46 46 LEU HG H 1 1.716 0.014 . . . . . A 46 LEU HG . 25983 1 529 . 1 1 46 46 LEU HD11 H 1 0.711 0.005 . . . . . A 46 LEU HD11 . 25983 1 530 . 1 1 46 46 LEU HD12 H 1 0.711 0.005 . . . . . A 46 LEU HD12 . 25983 1 531 . 1 1 46 46 LEU HD13 H 1 0.711 0.005 . . . . . A 46 LEU HD13 . 25983 1 532 . 1 1 46 46 LEU HD21 H 1 0.736 0.070 . . . . . A 46 LEU HD21 . 25983 1 533 . 1 1 46 46 LEU HD22 H 1 0.736 0.070 . . . . . A 46 LEU HD22 . 25983 1 534 . 1 1 46 46 LEU HD23 H 1 0.736 0.070 . . . . . A 46 LEU HD23 . 25983 1 535 . 1 1 46 46 LEU CA C 13 54.852 0.080 . . . . . A 46 LEU CA . 25983 1 536 . 1 1 46 46 LEU CB C 13 40.521 0.000 . . . . . A 46 LEU CB . 25983 1 537 . 1 1 46 46 LEU CG C 13 27.531 0.250 . . . . . A 46 LEU CG . 25983 1 538 . 1 1 46 46 LEU CD1 C 13 25.994 0.000 . . . . . A 46 LEU CD1 . 25983 1 539 . 1 1 46 46 LEU CD2 C 13 23.505 0.000 . . . . . A 46 LEU CD2 . 25983 1 540 . 1 1 46 46 LEU N N 15 122.891 0.000 . . . . . A 46 LEU N . 25983 1 541 . 1 1 47 47 LYS H H 1 8.789 0.005 . . . . . A 47 LYS H . 25983 1 542 . 1 1 47 47 LYS HA H 1 4.264 0.002 . . . . . A 47 LYS HA . 25983 1 543 . 1 1 47 47 LYS HB2 H 1 1.903 0.008 . . . . . A 47 LYS HB2 . 25983 1 544 . 1 1 47 47 LYS HB3 H 1 2.029 0.003 . . . . . A 47 LYS HB3 . 25983 1 545 . 1 1 47 47 LYS HG2 H 1 1.086 0.002 . . . . . A 47 LYS HG2 . 25983 1 546 . 1 1 47 47 LYS HG3 H 1 1.150 0.005 . . . . . A 47 LYS HG3 . 25983 1 547 . 1 1 47 47 LYS HD2 H 1 1.629 0.000 . . . . . A 47 LYS HD2 . 25983 1 548 . 1 1 47 47 LYS HE2 H 1 2.811 0.002 . . . . . A 47 LYS HE2 . 25983 1 549 . 1 1 47 47 LYS CA C 13 59.205 0.000 . . . . . A 47 LYS CA . 25983 1 550 . 1 1 47 47 LYS CB C 13 31.849 0.145 . . . . . A 47 LYS CB . 25983 1 551 . 1 1 47 47 LYS CG C 13 25.971 0.000 . . . . . A 47 LYS CG . 25983 1 552 . 1 1 47 47 LYS CD C 13 28.965 0.000 . . . . . A 47 LYS CD . 25983 1 553 . 1 1 47 47 LYS CE C 13 41.618 0.000 . . . . . A 47 LYS CE . 25983 1 554 . 1 1 47 47 LYS N N 15 120.924 0.000 . . . . . A 47 LYS N . 25983 1 555 . 1 1 48 48 GLN H H 1 8.579 0.013 . . . . . A 48 GLN H . 25983 1 556 . 1 1 48 48 GLN HA H 1 4.171 0.008 . . . . . A 48 GLN HA . 25983 1 557 . 1 1 48 48 GLN HB2 H 1 1.509 0.008 . . . . . A 48 GLN HB2 . 25983 1 558 . 1 1 48 48 GLN HB3 H 1 2.127 0.002 . . . . . A 48 GLN HB3 . 25983 1 559 . 1 1 48 48 GLN HG2 H 1 2.117 0.012 . . . . . A 48 GLN HG2 . 25983 1 560 . 1 1 48 48 GLN HG3 H 1 2.431 0.008 . . . . . A 48 GLN HG3 . 25983 1 561 . 1 1 48 48 GLN HE21 H 1 6.885 0.021 . . . . . A 48 GLN HE21 . 25983 1 562 . 1 1 48 48 GLN HE22 H 1 7.650 0.012 . . . . . A 48 GLN HE22 . 25983 1 563 . 1 1 48 48 GLN CA C 13 55.509 0.000 . . . . . A 48 GLN CA . 25983 1 564 . 1 1 48 48 GLN CB C 13 30.445 0.000 . . . . . A 48 GLN CB . 25983 1 565 . 1 1 48 48 GLN CG C 13 34.597 0.000 . . . . . A 48 GLN CG . 25983 1 566 . 1 1 48 48 GLN N N 15 116.339 0.000 . . . . . A 48 GLN N . 25983 1 567 . 1 1 48 48 GLN NE2 N 15 112.210 0.000 . . . . . A 48 GLN NE2 . 25983 1 568 . 1 1 49 49 LEU H H 1 7.481 0.004 . . . . . A 49 LEU H . 25983 1 569 . 1 1 49 49 LEU HA H 1 3.782 0.006 . . . . . A 49 LEU HA . 25983 1 570 . 1 1 49 49 LEU HB2 H 1 2.265 0.001 . . . . . A 49 LEU HB2 . 25983 1 571 . 1 1 49 49 LEU HB3 H 1 1.185 0.005 . . . . . A 49 LEU HB3 . 25983 1 572 . 1 1 49 49 LEU HG H 1 1.314 0.000 . . . . . A 49 LEU HG . 25983 1 573 . 1 1 49 49 LEU HD11 H 1 0.844 0.003 . . . . . A 49 LEU HD11 . 25983 1 574 . 1 1 49 49 LEU HD12 H 1 0.844 0.003 . . . . . A 49 LEU HD12 . 25983 1 575 . 1 1 49 49 LEU HD13 H 1 0.844 0.003 . . . . . A 49 LEU HD13 . 25983 1 576 . 1 1 49 49 LEU HD21 H 1 0.833 0.017 . . . . . A 49 LEU HD21 . 25983 1 577 . 1 1 49 49 LEU HD22 H 1 0.833 0.017 . . . . . A 49 LEU HD22 . 25983 1 578 . 1 1 49 49 LEU HD23 H 1 0.833 0.017 . . . . . A 49 LEU HD23 . 25983 1 579 . 1 1 49 49 LEU CA C 13 54.983 0.000 . . . . . A 49 LEU CA . 25983 1 580 . 1 1 49 49 LEU CB C 13 36.465 0.000 . . . . . A 49 LEU CB . 25983 1 581 . 1 1 49 49 LEU CG C 13 26.070 0.000 . . . . . A 49 LEU CG . 25983 1 582 . 1 1 49 49 LEU CD1 C 13 22.167 0.000 . . . . . A 49 LEU CD1 . 25983 1 583 . 1 1 49 49 LEU CD2 C 13 22.282 0.000 . . . . . A 49 LEU CD2 . 25983 1 584 . 1 1 49 49 LEU N N 15 115.725 0.000 . . . . . A 49 LEU N . 25983 1 585 . 1 1 50 50 LYS H H 1 8.425 0.019 . . . . . A 50 LYS H . 25983 1 586 . 1 1 50 50 LYS HA H 1 4.666 0.004 . . . . . A 50 LYS HA . 25983 1 587 . 1 1 50 50 LYS HB2 H 1 1.548 0.002 . . . . . A 50 LYS HB2 . 25983 1 588 . 1 1 50 50 LYS HB3 H 1 1.852 0.003 . . . . . A 50 LYS HB3 . 25983 1 589 . 1 1 50 50 LYS HG2 H 1 1.316 0.004 . . . . . A 50 LYS HG2 . 25983 1 590 . 1 1 50 50 LYS HG3 H 1 1.238 0.002 . . . . . A 50 LYS HG3 . 25983 1 591 . 1 1 50 50 LYS HD2 H 1 1.622 0.007 . . . . . A 50 LYS HD2 . 25983 1 592 . 1 1 50 50 LYS HD3 H 1 1.712 0.000 . . . . . A 50 LYS HD3 . 25983 1 593 . 1 1 50 50 LYS HE2 H 1 2.934 0.000 . . . . . A 50 LYS HE2 . 25983 1 594 . 1 1 50 50 LYS HE3 H 1 2.946 0.002 . . . . . A 50 LYS HE3 . 25983 1 595 . 1 1 50 50 LYS CA C 13 54.819 0.000 . . . . . A 50 LYS CA . 25983 1 596 . 1 1 50 50 LYS CB C 13 36.896 0.000 . . . . . A 50 LYS CB . 25983 1 597 . 1 1 50 50 LYS CG C 13 23.969 0.000 . . . . . A 50 LYS CG . 25983 1 598 . 1 1 50 50 LYS CD C 13 28.865 0.000 . . . . . A 50 LYS CD . 25983 1 599 . 1 1 50 50 LYS CE C 13 41.594 0.187 . . . . . A 50 LYS CE . 25983 1 600 . 1 1 50 50 LYS N N 15 118.563 0.018 . . . . . A 50 LYS N . 25983 1 601 . 1 1 51 51 VAL H H 1 8.600 0.002 . . . . . A 51 VAL H . 25983 1 602 . 1 1 51 51 VAL HA H 1 5.271 0.007 . . . . . A 51 VAL HA . 25983 1 603 . 1 1 51 51 VAL HB H 1 1.974 0.010 . . . . . A 51 VAL HB . 25983 1 604 . 1 1 51 51 VAL HG11 H 1 0.827 0.010 . . . . . A 51 VAL HG11 . 25983 1 605 . 1 1 51 51 VAL HG12 H 1 0.827 0.010 . . . . . A 51 VAL HG12 . 25983 1 606 . 1 1 51 51 VAL HG13 H 1 0.827 0.010 . . . . . A 51 VAL HG13 . 25983 1 607 . 1 1 51 51 VAL HG21 H 1 0.946 0.006 . . . . . A 51 VAL HG21 . 25983 1 608 . 1 1 51 51 VAL HG22 H 1 0.946 0.006 . . . . . A 51 VAL HG22 . 25983 1 609 . 1 1 51 51 VAL HG23 H 1 0.946 0.006 . . . . . A 51 VAL HG23 . 25983 1 610 . 1 1 51 51 VAL CA C 13 60.367 0.000 . . . . . A 51 VAL CA . 25983 1 611 . 1 1 51 51 VAL CB C 13 33.505 0.000 . . . . . A 51 VAL CB . 25983 1 612 . 1 1 51 51 VAL CG1 C 13 21.581 0.149 . . . . . A 51 VAL CG1 . 25983 1 613 . 1 1 51 51 VAL CG2 C 13 20.634 0.000 . . . . . A 51 VAL CG2 . 25983 1 614 . 1 1 51 51 VAL N N 15 123.287 0.000 . . . . . A 51 VAL N . 25983 1 615 . 1 1 52 52 ASP H H 1 8.795 0.006 . . . . . A 52 ASP H . 25983 1 616 . 1 1 52 52 ASP HA H 1 5.243 0.000 . . . . . A 52 ASP HA . 25983 1 617 . 1 1 52 52 ASP HB2 H 1 2.348 0.009 . . . . . A 52 ASP HB2 . 25983 1 618 . 1 1 52 52 ASP HB3 H 1 2.535 0.008 . . . . . A 52 ASP HB3 . 25983 1 619 . 1 1 52 52 ASP CA C 13 52.560 0.000 . . . . . A 52 ASP CA . 25983 1 620 . 1 1 52 52 ASP CB C 13 45.841 0.000 . . . . . A 52 ASP CB . 25983 1 621 . 1 1 52 52 ASP N N 15 124.580 0.000 . . . . . A 52 ASP N . 25983 1 622 . 1 1 53 53 GLN H H 1 8.601 0.007 . . . . . A 53 GLN H . 25983 1 623 . 1 1 53 53 GLN HA H 1 3.242 0.004 . . . . . A 53 GLN HA . 25983 1 624 . 1 1 53 53 GLN HB2 H 1 0.785 0.005 . . . . . A 53 GLN HB2 . 25983 1 625 . 1 1 53 53 GLN HB3 H 1 1.448 0.001 . . . . . A 53 GLN HB3 . 25983 1 626 . 1 1 53 53 GLN HG2 H 1 1.331 0.009 . . . . . A 53 GLN HG2 . 25983 1 627 . 1 1 53 53 GLN HG3 H 1 1.453 0.008 . . . . . A 53 GLN HG3 . 25983 1 628 . 1 1 53 53 GLN HE21 H 1 7.122 0.016 . . . . . A 53 GLN HE21 . 25983 1 629 . 1 1 53 53 GLN HE22 H 1 6.754 0.011 . . . . . A 53 GLN HE22 . 25983 1 630 . 1 1 53 53 GLN CA C 13 56.617 0.000 . . . . . A 53 GLN CA . 25983 1 631 . 1 1 53 53 GLN CB C 13 28.099 0.000 . . . . . A 53 GLN CB . 25983 1 632 . 1 1 53 53 GLN CG C 13 33.347 0.000 . . . . . A 53 GLN CG . 25983 1 633 . 1 1 53 53 GLN N N 15 123.610 0.072 . . . . . A 53 GLN N . 25983 1 634 . 1 1 53 53 GLN NE2 N 15 111.216 0.000 . . . . . A 53 GLN NE2 . 25983 1 635 . 1 1 54 54 GLY H H 1 8.169 0.006 . . . . . A 54 GLY H . 25983 1 636 . 1 1 54 54 GLY HA2 H 1 3.446 0.010 . . . . . A 54 GLY HA2 . 25983 1 637 . 1 1 54 54 GLY HA3 H 1 4.269 0.009 . . . . . A 54 GLY HA3 . 25983 1 638 . 1 1 54 54 GLY CA C 13 43.646 0.000 . . . . . A 54 GLY CA . 25983 1 639 . 1 1 54 54 GLY N N 15 113.581 0.000 . . . . . A 54 GLY N . 25983 1 640 . 1 1 55 55 VAL H H 1 7.836 0.006 . . . . . A 55 VAL H . 25983 1 641 . 1 1 55 55 VAL HA H 1 4.311 0.009 . . . . . A 55 VAL HA . 25983 1 642 . 1 1 55 55 VAL HB H 1 1.669 0.005 . . . . . A 55 VAL HB . 25983 1 643 . 1 1 55 55 VAL HG11 H 1 0.670 0.017 . . . . . A 55 VAL HG11 . 25983 1 644 . 1 1 55 55 VAL HG12 H 1 0.670 0.017 . . . . . A 55 VAL HG12 . 25983 1 645 . 1 1 55 55 VAL HG13 H 1 0.670 0.017 . . . . . A 55 VAL HG13 . 25983 1 646 . 1 1 55 55 VAL HG21 H 1 0.653 0.000 . . . . . A 55 VAL HG21 . 25983 1 647 . 1 1 55 55 VAL HG22 H 1 0.653 0.000 . . . . . A 55 VAL HG22 . 25983 1 648 . 1 1 55 55 VAL HG23 H 1 0.653 0.000 . . . . . A 55 VAL HG23 . 25983 1 649 . 1 1 55 55 VAL CA C 13 59.972 0.000 . . . . . A 55 VAL CA . 25983 1 650 . 1 1 55 55 VAL CB C 13 33.647 0.000 . . . . . A 55 VAL CB . 25983 1 651 . 1 1 55 55 VAL CG1 C 13 21.070 0.137 . . . . . A 55 VAL CG1 . 25983 1 652 . 1 1 55 55 VAL CG2 C 13 20.555 0.000 . . . . . A 55 VAL CG2 . 25983 1 653 . 1 1 55 55 VAL N N 15 115.850 0.000 . . . . . A 55 VAL N . 25983 1 654 . 1 1 56 56 PHE H H 1 9.084 0.008 . . . . . A 56 PHE H . 25983 1 655 . 1 1 56 56 PHE HA H 1 4.502 0.013 . . . . . A 56 PHE HA . 25983 1 656 . 1 1 56 56 PHE HB2 H 1 2.608 0.005 . . . . . A 56 PHE HB2 . 25983 1 657 . 1 1 56 56 PHE HB3 H 1 2.924 0.004 . . . . . A 56 PHE HB3 . 25983 1 658 . 1 1 56 56 PHE HD1 H 1 6.886 0.003 . . . . . A 56 PHE HD1 . 25983 1 659 . 1 1 56 56 PHE HD2 H 1 6.886 0.003 . . . . . A 56 PHE HD2 . 25983 1 660 . 1 1 56 56 PHE HE1 H 1 7.329 0.014 . . . . . A 56 PHE HE1 . 25983 1 661 . 1 1 56 56 PHE HE2 H 1 7.329 0.014 . . . . . A 56 PHE HE2 . 25983 1 662 . 1 1 56 56 PHE HZ H 1 7.372 0.005 . . . . . A 56 PHE HZ . 25983 1 663 . 1 1 56 56 PHE CA C 13 56.722 0.000 . . . . . A 56 PHE CA . 25983 1 664 . 1 1 56 56 PHE CB C 13 41.081 0.000 . . . . . A 56 PHE CB . 25983 1 665 . 1 1 56 56 PHE CD1 C 13 131.382 0.000 . . . . . A 56 PHE CD1 . 25983 1 666 . 1 1 56 56 PHE CE1 C 13 130.402 0.000 . . . . . A 56 PHE CE1 . 25983 1 667 . 1 1 56 56 PHE CZ C 13 129.032 0.000 . . . . . A 56 PHE CZ . 25983 1 668 . 1 1 56 56 PHE N N 15 131.128 0.000 . . . . . A 56 PHE N . 25983 1 669 . 1 1 57 57 ALA H H 1 8.003 0.017 . . . . . A 57 ALA H . 25983 1 670 . 1 1 57 57 ALA HA H 1 3.932 0.002 . . . . . A 57 ALA HA . 25983 1 671 . 1 1 57 57 ALA HB1 H 1 1.098 0.014 . . . . . A 57 ALA HB1 . 25983 1 672 . 1 1 57 57 ALA HB2 H 1 1.098 0.014 . . . . . A 57 ALA HB2 . 25983 1 673 . 1 1 57 57 ALA HB3 H 1 1.098 0.014 . . . . . A 57 ALA HB3 . 25983 1 674 . 1 1 57 57 ALA CA C 13 54.282 0.000 . . . . . A 57 ALA CA . 25983 1 675 . 1 1 57 57 ALA CB C 13 18.212 0.000 . . . . . A 57 ALA CB . 25983 1 676 . 1 1 57 57 ALA N N 15 127.825 0.000 . . . . . A 57 ALA N . 25983 1 677 . 1 1 58 58 SER H H 1 6.696 0.007 . . . . . A 58 SER H . 25983 1 678 . 1 1 58 58 SER HA H 1 4.701 0.001 . . . . . A 58 SER HA . 25983 1 679 . 1 1 58 58 SER HB2 H 1 3.765 0.013 . . . . . A 58 SER HB2 . 25983 1 680 . 1 1 58 58 SER HB3 H 1 3.634 0.012 . . . . . A 58 SER HB3 . 25983 1 681 . 1 1 58 58 SER CA C 13 54.834 0.000 . . . . . A 58 SER CA . 25983 1 682 . 1 1 58 58 SER CB C 13 62.241 0.000 . . . . . A 58 SER CB . 25983 1 683 . 1 1 58 58 SER N N 15 108.448 0.000 . . . . . A 58 SER N . 25983 1 684 . 1 1 59 59 PRO HA H 1 4.230 0.013 . . . . . A 59 PRO HA . 25983 1 685 . 1 1 59 59 PRO HB2 H 1 1.883 0.008 . . . . . A 59 PRO HB2 . 25983 1 686 . 1 1 59 59 PRO HB3 H 1 2.037 0.016 . . . . . A 59 PRO HB3 . 25983 1 687 . 1 1 59 59 PRO HG2 H 1 2.083 0.005 . . . . . A 59 PRO HG2 . 25983 1 688 . 1 1 59 59 PRO HG3 H 1 1.900 0.002 . . . . . A 59 PRO HG3 . 25983 1 689 . 1 1 59 59 PRO HD2 H 1 3.527 0.003 . . . . . A 59 PRO HD2 . 25983 1 690 . 1 1 59 59 PRO HD3 H 1 3.735 0.000 . . . . . A 59 PRO HD3 . 25983 1 691 . 1 1 59 59 PRO CA C 13 62.648 0.000 . . . . . A 59 PRO CA . 25983 1 692 . 1 1 59 59 PRO CB C 13 31.618 0.000 . . . . . A 59 PRO CB . 25983 1 693 . 1 1 59 59 PRO CG C 13 26.645 0.000 . . . . . A 59 PRO CG . 25983 1 694 . 1 1 59 59 PRO CD C 13 49.194 0.000 . . . . . A 59 PRO CD . 25983 1 695 . 1 1 60 60 ASP H H 1 8.582 0.004 . . . . . A 60 ASP H . 25983 1 696 . 1 1 60 60 ASP HA H 1 4.429 0.007 . . . . . A 60 ASP HA . 25983 1 697 . 1 1 60 60 ASP HB2 H 1 2.074 0.010 . . . . . A 60 ASP HB2 . 25983 1 698 . 1 1 60 60 ASP HB3 H 1 2.521 0.012 . . . . . A 60 ASP HB3 . 25983 1 699 . 1 1 60 60 ASP CA C 13 57.280 0.000 . . . . . A 60 ASP CA . 25983 1 700 . 1 1 60 60 ASP CB C 13 42.714 0.000 . . . . . A 60 ASP CB . 25983 1 701 . 1 1 60 60 ASP N N 15 120.288 0.000 . . . . . A 60 ASP N . 25983 1 702 . 1 1 61 61 VAL H H 1 7.245 0.006 . . . . . A 61 VAL H . 25983 1 703 . 1 1 61 61 VAL HA H 1 4.629 0.006 . . . . . A 61 VAL HA . 25983 1 704 . 1 1 61 61 VAL HB H 1 1.324 0.002 . . . . . A 61 VAL HB . 25983 1 705 . 1 1 61 61 VAL HG11 H 1 0.695 0.003 . . . . . A 61 VAL HG11 . 25983 1 706 . 1 1 61 61 VAL HG12 H 1 0.695 0.003 . . . . . A 61 VAL HG12 . 25983 1 707 . 1 1 61 61 VAL HG13 H 1 0.695 0.003 . . . . . A 61 VAL HG13 . 25983 1 708 . 1 1 61 61 VAL HG21 H 1 0.873 0.013 . . . . . A 61 VAL HG21 . 25983 1 709 . 1 1 61 61 VAL HG22 H 1 0.873 0.013 . . . . . A 61 VAL HG22 . 25983 1 710 . 1 1 61 61 VAL HG23 H 1 0.873 0.013 . . . . . A 61 VAL HG23 . 25983 1 711 . 1 1 61 61 VAL CA C 13 60.179 0.000 . . . . . A 61 VAL CA . 25983 1 712 . 1 1 61 61 VAL CB C 13 37.013 0.000 . . . . . A 61 VAL CB . 25983 1 713 . 1 1 61 61 VAL CG1 C 13 23.191 0.000 . . . . . A 61 VAL CG1 . 25983 1 714 . 1 1 61 61 VAL CG2 C 13 22.671 0.000 . . . . . A 61 VAL CG2 . 25983 1 715 . 1 1 61 61 VAL N N 15 115.996 0.000 . . . . . A 61 VAL N . 25983 1 716 . 1 1 62 62 THR H H 1 8.708 0.007 . . . . . A 62 THR H . 25983 1 717 . 1 1 62 62 THR HA H 1 5.174 0.012 . . . . . A 62 THR HA . 25983 1 718 . 1 1 62 62 THR HB H 1 3.902 0.005 . . . . . A 62 THR HB . 25983 1 719 . 1 1 62 62 THR HG21 H 1 1.055 0.007 . . . . . A 62 THR HG21 . 25983 1 720 . 1 1 62 62 THR HG22 H 1 1.055 0.007 . . . . . A 62 THR HG22 . 25983 1 721 . 1 1 62 62 THR HG23 H 1 1.055 0.007 . . . . . A 62 THR HG23 . 25983 1 722 . 1 1 62 62 THR CA C 13 61.850 0.000 . . . . . A 62 THR CA . 25983 1 723 . 1 1 62 62 THR CB C 13 69.664 0.000 . . . . . A 62 THR CB . 25983 1 724 . 1 1 62 62 THR CG2 C 13 20.769 0.000 . . . . . A 62 THR CG2 . 25983 1 725 . 1 1 62 62 THR N N 15 123.173 0.000 . . . . . A 62 THR N . 25983 1 726 . 1 1 63 63 VAL H H 1 9.432 0.008 . . . . . A 63 VAL H . 25983 1 727 . 1 1 63 63 VAL HA H 1 4.816 0.009 . . . . . A 63 VAL HA . 25983 1 728 . 1 1 63 63 VAL HB H 1 2.045 0.016 . . . . . A 63 VAL HB . 25983 1 729 . 1 1 63 63 VAL HG11 H 1 0.778 0.010 . . . . . A 63 VAL HG11 . 25983 1 730 . 1 1 63 63 VAL HG12 H 1 0.778 0.010 . . . . . A 63 VAL HG12 . 25983 1 731 . 1 1 63 63 VAL HG13 H 1 0.778 0.010 . . . . . A 63 VAL HG13 . 25983 1 732 . 1 1 63 63 VAL HG21 H 1 0.905 0.023 . . . . . A 63 VAL HG21 . 25983 1 733 . 1 1 63 63 VAL HG22 H 1 0.905 0.023 . . . . . A 63 VAL HG22 . 25983 1 734 . 1 1 63 63 VAL HG23 H 1 0.905 0.023 . . . . . A 63 VAL HG23 . 25983 1 735 . 1 1 63 63 VAL CA C 13 60.274 0.000 . . . . . A 63 VAL CA . 25983 1 736 . 1 1 63 63 VAL CB C 13 34.502 0.000 . . . . . A 63 VAL CB . 25983 1 737 . 1 1 63 63 VAL CG1 C 13 21.302 0.000 . . . . . A 63 VAL CG1 . 25983 1 738 . 1 1 63 63 VAL CG2 C 13 21.232 0.000 . . . . . A 63 VAL CG2 . 25983 1 739 . 1 1 63 63 VAL N N 15 127.082 0.000 . . . . . A 63 VAL N . 25983 1 740 . 1 1 64 64 THR H H 1 8.856 0.008 . . . . . A 64 THR H . 25983 1 741 . 1 1 64 64 THR HA H 1 5.630 0.002 . . . . . A 64 THR HA . 25983 1 742 . 1 1 64 64 THR HB H 1 4.035 0.004 . . . . . A 64 THR HB . 25983 1 743 . 1 1 64 64 THR HG21 H 1 1.209 0.008 . . . . . A 64 THR HG21 . 25983 1 744 . 1 1 64 64 THR HG22 H 1 1.209 0.008 . . . . . A 64 THR HG22 . 25983 1 745 . 1 1 64 64 THR HG23 H 1 1.209 0.008 . . . . . A 64 THR HG23 . 25983 1 746 . 1 1 64 64 THR CA C 13 61.643 0.000 . . . . . A 64 THR CA . 25983 1 747 . 1 1 64 64 THR CB C 13 69.741 0.000 . . . . . A 64 THR CB . 25983 1 748 . 1 1 64 64 THR CG2 C 13 20.994 0.000 . . . . . A 64 THR CG2 . 25983 1 749 . 1 1 64 64 THR N N 15 123.445 0.000 . . . . . A 64 THR N . 25983 1 750 . 1 1 65 65 VAL H H 1 8.848 0.026 . . . . . A 65 VAL H . 25983 1 751 . 1 1 65 65 VAL HA H 1 4.751 0.007 . . . . . A 65 VAL HA . 25983 1 752 . 1 1 65 65 VAL HB H 1 1.960 0.002 . . . . . A 65 VAL HB . 25983 1 753 . 1 1 65 65 VAL HG11 H 1 0.880 0.005 . . . . . A 65 VAL HG11 . 25983 1 754 . 1 1 65 65 VAL HG12 H 1 0.880 0.005 . . . . . A 65 VAL HG12 . 25983 1 755 . 1 1 65 65 VAL HG13 H 1 0.880 0.005 . . . . . A 65 VAL HG13 . 25983 1 756 . 1 1 65 65 VAL HG21 H 1 1.078 0.007 . . . . . A 65 VAL HG21 . 25983 1 757 . 1 1 65 65 VAL HG22 H 1 1.078 0.007 . . . . . A 65 VAL HG22 . 25983 1 758 . 1 1 65 65 VAL HG23 H 1 1.078 0.007 . . . . . A 65 VAL HG23 . 25983 1 759 . 1 1 65 65 VAL CA C 13 59.422 0.000 . . . . . A 65 VAL CA . 25983 1 760 . 1 1 65 65 VAL CB C 13 35.090 0.000 . . . . . A 65 VAL CB . 25983 1 761 . 1 1 65 65 VAL CG1 C 13 19.219 0.000 . . . . . A 65 VAL CG1 . 25983 1 762 . 1 1 65 65 VAL CG2 C 13 20.898 0.000 . . . . . A 65 VAL CG2 . 25983 1 763 . 1 1 65 65 VAL N N 15 126.206 0.257 . . . . . A 65 VAL N . 25983 1 764 . 1 1 66 66 GLY H H 1 9.824 0.006 . . . . . A 66 GLY H . 25983 1 765 . 1 1 66 66 GLY HA2 H 1 4.124 0.013 . . . . . A 66 GLY HA2 . 25983 1 766 . 1 1 66 66 GLY HA3 H 1 4.613 0.005 . . . . . A 66 GLY HA3 . 25983 1 767 . 1 1 66 66 GLY CA C 13 44.882 0.000 . . . . . A 66 GLY CA . 25983 1 768 . 1 1 66 66 GLY N N 15 115.596 0.000 . . . . . A 66 GLY N . 25983 1 769 . 1 1 67 67 LEU H H 1 8.420 0.009 . . . . . A 67 LEU H . 25983 1 770 . 1 1 67 67 LEU HA H 1 3.770 0.000 . . . . . A 67 LEU HA . 25983 1 771 . 1 1 67 67 LEU HB2 H 1 1.326 0.012 . . . . . A 67 LEU HB2 . 25983 1 772 . 1 1 67 67 LEU HB3 H 1 1.861 0.007 . . . . . A 67 LEU HB3 . 25983 1 773 . 1 1 67 67 LEU HG H 1 1.480 0.003 . . . . . A 67 LEU HG . 25983 1 774 . 1 1 67 67 LEU HD11 H 1 0.753 0.017 . . . . . A 67 LEU HD11 . 25983 1 775 . 1 1 67 67 LEU HD12 H 1 0.753 0.017 . . . . . A 67 LEU HD12 . 25983 1 776 . 1 1 67 67 LEU HD13 H 1 0.753 0.017 . . . . . A 67 LEU HD13 . 25983 1 777 . 1 1 67 67 LEU HD21 H 1 0.960 0.033 . . . . . A 67 LEU HD21 . 25983 1 778 . 1 1 67 67 LEU HD22 H 1 0.960 0.033 . . . . . A 67 LEU HD22 . 25983 1 779 . 1 1 67 67 LEU HD23 H 1 0.960 0.033 . . . . . A 67 LEU HD23 . 25983 1 780 . 1 1 67 67 LEU CA C 13 58.735 0.000 . . . . . A 67 LEU CA . 25983 1 781 . 1 1 67 67 LEU CB C 13 42.055 0.027 . . . . . A 67 LEU CB . 25983 1 782 . 1 1 67 67 LEU CG C 13 26.695 0.000 . . . . . A 67 LEU CG . 25983 1 783 . 1 1 67 67 LEU CD1 C 13 23.317 0.000 . . . . . A 67 LEU CD1 . 25983 1 784 . 1 1 67 67 LEU CD2 C 13 22.048 0.000 . . . . . A 67 LEU CD2 . 25983 1 785 . 1 1 67 67 LEU N N 15 124.230 0.000 . . . . . A 67 LEU N . 25983 1 786 . 1 1 68 68 GLU H H 1 9.045 0.002 . . . . . A 68 GLU H . 25983 1 787 . 1 1 68 68 GLU HA H 1 3.829 0.009 . . . . . A 68 GLU HA . 25983 1 788 . 1 1 68 68 GLU HB2 H 1 1.943 0.001 . . . . . A 68 GLU HB2 . 25983 1 789 . 1 1 68 68 GLU HB3 H 1 2.022 0.000 . . . . . A 68 GLU HB3 . 25983 1 790 . 1 1 68 68 GLU HG2 H 1 2.303 0.000 . . . . . A 68 GLU HG2 . 25983 1 791 . 1 1 68 68 GLU HG3 H 1 2.244 0.010 . . . . . A 68 GLU HG3 . 25983 1 792 . 1 1 68 68 GLU CA C 13 59.968 0.112 . . . . . A 68 GLU CA . 25983 1 793 . 1 1 68 68 GLU CB C 13 28.186 0.000 . . . . . A 68 GLU CB . 25983 1 794 . 1 1 68 68 GLU CG C 13 36.043 0.000 . . . . . A 68 GLU CG . 25983 1 795 . 1 1 68 68 GLU N N 15 116.131 0.000 . . . . . A 68 GLU N . 25983 1 796 . 1 1 69 69 ASP H H 1 7.527 0.008 . . . . . A 69 ASP H . 25983 1 797 . 1 1 69 69 ASP HA H 1 4.500 0.013 . . . . . A 69 ASP HA . 25983 1 798 . 1 1 69 69 ASP HB2 H 1 2.083 0.017 . . . . . A 69 ASP HB2 . 25983 1 799 . 1 1 69 69 ASP HB3 H 1 2.573 0.012 . . . . . A 69 ASP HB3 . 25983 1 800 . 1 1 69 69 ASP CA C 13 56.770 0.000 . . . . . A 69 ASP CA . 25983 1 801 . 1 1 69 69 ASP CB C 13 40.071 0.000 . . . . . A 69 ASP CB . 25983 1 802 . 1 1 69 69 ASP N N 15 119.388 0.000 . . . . . A 69 ASP N . 25983 1 803 . 1 1 70 70 MET H H 1 8.215 0.016 . . . . . A 70 MET H . 25983 1 804 . 1 1 70 70 MET HA H 1 3.832 0.007 . . . . . A 70 MET HA . 25983 1 805 . 1 1 70 70 MET HB2 H 1 2.296 0.019 . . . . . A 70 MET HB2 . 25983 1 806 . 1 1 70 70 MET HG2 H 1 2.427 0.010 . . . . . A 70 MET HG2 . 25983 1 807 . 1 1 70 70 MET HG3 H 1 2.486 0.012 . . . . . A 70 MET HG3 . 25983 1 808 . 1 1 70 70 MET HE1 H 1 1.799 0.010 . . . . . A 70 MET HE1 . 25983 1 809 . 1 1 70 70 MET HE2 H 1 1.799 0.010 . . . . . A 70 MET HE2 . 25983 1 810 . 1 1 70 70 MET HE3 H 1 1.799 0.010 . . . . . A 70 MET HE3 . 25983 1 811 . 1 1 70 70 MET CA C 13 59.759 0.000 . . . . . A 70 MET CA . 25983 1 812 . 1 1 70 70 MET CB C 13 32.548 0.000 . . . . . A 70 MET CB . 25983 1 813 . 1 1 70 70 MET CG C 13 31.992 0.000 . . . . . A 70 MET CG . 25983 1 814 . 1 1 70 70 MET CE C 13 18.055 0.000 . . . . . A 70 MET CE . 25983 1 815 . 1 1 70 70 MET N N 15 119.203 0.000 . . . . . A 70 MET N . 25983 1 816 . 1 1 71 71 LEU H H 1 8.442 0.012 . . . . . A 71 LEU H . 25983 1 817 . 1 1 71 71 LEU HA H 1 3.929 0.003 . . . . . A 71 LEU HA . 25983 1 818 . 1 1 71 71 LEU HB2 H 1 1.434 0.006 . . . . . A 71 LEU HB2 . 25983 1 819 . 1 1 71 71 LEU HB3 H 1 1.844 0.004 . . . . . A 71 LEU HB3 . 25983 1 820 . 1 1 71 71 LEU HG H 1 1.665 0.005 . . . . . A 71 LEU HG . 25983 1 821 . 1 1 71 71 LEU HD11 H 1 0.771 0.005 . . . . . A 71 LEU HD11 . 25983 1 822 . 1 1 71 71 LEU HD12 H 1 0.771 0.005 . . . . . A 71 LEU HD12 . 25983 1 823 . 1 1 71 71 LEU HD13 H 1 0.771 0.005 . . . . . A 71 LEU HD13 . 25983 1 824 . 1 1 71 71 LEU HD21 H 1 0.824 0.008 . . . . . A 71 LEU HD21 . 25983 1 825 . 1 1 71 71 LEU HD22 H 1 0.824 0.008 . . . . . A 71 LEU HD22 . 25983 1 826 . 1 1 71 71 LEU HD23 H 1 0.824 0.008 . . . . . A 71 LEU HD23 . 25983 1 827 . 1 1 71 71 LEU CA C 13 57.450 0.000 . . . . . A 71 LEU CA . 25983 1 828 . 1 1 71 71 LEU CB C 13 40.406 0.000 . . . . . A 71 LEU CB . 25983 1 829 . 1 1 71 71 LEU CG C 13 26.692 0.000 . . . . . A 71 LEU CG . 25983 1 830 . 1 1 71 71 LEU CD1 C 13 22.418 0.000 . . . . . A 71 LEU CD1 . 25983 1 831 . 1 1 71 71 LEU CD2 C 13 25.070 0.000 . . . . . A 71 LEU CD2 . 25983 1 832 . 1 1 71 71 LEU N N 15 118.463 0.099 . . . . . A 71 LEU N . 25983 1 833 . 1 1 72 72 ALA H H 1 7.745 0.004 . . . . . A 72 ALA H . 25983 1 834 . 1 1 72 72 ALA HA H 1 4.153 0.010 . . . . . A 72 ALA HA . 25983 1 835 . 1 1 72 72 ALA HB1 H 1 1.467 0.008 . . . . . A 72 ALA HB1 . 25983 1 836 . 1 1 72 72 ALA HB2 H 1 1.467 0.008 . . . . . A 72 ALA HB2 . 25983 1 837 . 1 1 72 72 ALA HB3 H 1 1.467 0.008 . . . . . A 72 ALA HB3 . 25983 1 838 . 1 1 72 72 ALA CA C 13 54.722 0.000 . . . . . A 72 ALA CA . 25983 1 839 . 1 1 72 72 ALA CB C 13 18.469 0.000 . . . . . A 72 ALA CB . 25983 1 840 . 1 1 72 72 ALA N N 15 124.530 0.000 . . . . . A 72 ALA N . 25983 1 841 . 1 1 73 73 ILE H H 1 8.093 0.016 . . . . . A 73 ILE H . 25983 1 842 . 1 1 73 73 ILE HA H 1 4.500 0.001 . . . . . A 73 ILE HA . 25983 1 843 . 1 1 73 73 ILE HB H 1 1.767 0.005 . . . . . A 73 ILE HB . 25983 1 844 . 1 1 73 73 ILE HG12 H 1 1.809 0.003 . . . . . A 73 ILE HG12 . 25983 1 845 . 1 1 73 73 ILE HG13 H 1 0.678 0.012 . . . . . A 73 ILE HG13 . 25983 1 846 . 1 1 73 73 ILE HG21 H 1 0.789 0.006 . . . . . A 73 ILE HG21 . 25983 1 847 . 1 1 73 73 ILE HG22 H 1 0.789 0.006 . . . . . A 73 ILE HG22 . 25983 1 848 . 1 1 73 73 ILE HG23 H 1 0.789 0.006 . . . . . A 73 ILE HG23 . 25983 1 849 . 1 1 73 73 ILE HD11 H 1 0.560 0.001 . . . . . A 73 ILE HD11 . 25983 1 850 . 1 1 73 73 ILE HD12 H 1 0.560 0.001 . . . . . A 73 ILE HD12 . 25983 1 851 . 1 1 73 73 ILE HD13 H 1 0.560 0.001 . . . . . A 73 ILE HD13 . 25983 1 852 . 1 1 73 73 ILE CA C 13 63.527 0.000 . . . . . A 73 ILE CA . 25983 1 853 . 1 1 73 73 ILE CB C 13 37.715 0.000 . . . . . A 73 ILE CB . 25983 1 854 . 1 1 73 73 ILE CG1 C 13 28.033 0.000 . . . . . A 73 ILE CG1 . 25983 1 855 . 1 1 73 73 ILE CG2 C 13 17.244 0.000 . . . . . A 73 ILE CG2 . 25983 1 856 . 1 1 73 73 ILE CD1 C 13 13.640 0.000 . . . . . A 73 ILE CD1 . 25983 1 857 . 1 1 73 73 ILE N N 15 119.803 0.000 . . . . . A 73 ILE N . 25983 1 858 . 1 1 74 74 SER H H 1 8.406 0.003 . . . . . A 74 SER H . 25983 1 859 . 1 1 74 74 SER HA H 1 4.026 0.008 . . . . . A 74 SER HA . 25983 1 860 . 1 1 74 74 SER HB2 H 1 3.843 0.007 . . . . . A 74 SER HB2 . 25983 1 861 . 1 1 74 74 SER CA C 13 61.068 0.000 . . . . . A 74 SER CA . 25983 1 862 . 1 1 74 74 SER CB C 13 62.790 0.000 . . . . . A 74 SER CB . 25983 1 863 . 1 1 74 74 SER N N 15 115.809 0.000 . . . . . A 74 SER N . 25983 1 864 . 1 1 75 75 GLY H H 1 8.129 0.005 . . . . . A 75 GLY H . 25983 1 865 . 1 1 75 75 GLY HA2 H 1 3.762 0.002 . . . . . A 75 GLY HA2 . 25983 1 866 . 1 1 75 75 GLY HA3 H 1 4.163 0.002 . . . . . A 75 GLY HA3 . 25983 1 867 . 1 1 75 75 GLY CA C 13 44.744 0.000 . . . . . A 75 GLY CA . 25983 1 868 . 1 1 75 75 GLY N N 15 105.850 0.000 . . . . . A 75 GLY N . 25983 1 869 . 1 1 76 76 LYS H H 1 7.675 0.010 . . . . . A 76 LYS H . 25983 1 870 . 1 1 76 76 LYS HA H 1 4.027 0.009 . . . . . A 76 LYS HA . 25983 1 871 . 1 1 76 76 LYS HB2 H 1 1.935 0.005 . . . . . A 76 LYS HB2 . 25983 1 872 . 1 1 76 76 LYS HB3 H 1 2.065 0.004 . . . . . A 76 LYS HB3 . 25983 1 873 . 1 1 76 76 LYS HG2 H 1 1.269 0.007 . . . . . A 76 LYS HG2 . 25983 1 874 . 1 1 76 76 LYS HG3 H 1 1.167 0.001 . . . . . A 76 LYS HG3 . 25983 1 875 . 1 1 76 76 LYS HD2 H 1 1.687 0.012 . . . . . A 76 LYS HD2 . 25983 1 876 . 1 1 76 76 LYS HE2 H 1 2.869 0.006 . . . . . A 76 LYS HE2 . 25983 1 877 . 1 1 76 76 LYS HE3 H 1 2.872 0.003 . . . . . A 76 LYS HE3 . 25983 1 878 . 1 1 76 76 LYS CA C 13 57.472 0.000 . . . . . A 76 LYS CA . 25983 1 879 . 1 1 76 76 LYS CB C 13 28.910 0.000 . . . . . A 76 LYS CB . 25983 1 880 . 1 1 76 76 LYS CG C 13 24.832 0.000 . . . . . A 76 LYS CG . 25983 1 881 . 1 1 76 76 LYS CD C 13 28.954 0.000 . . . . . A 76 LYS CD . 25983 1 882 . 1 1 76 76 LYS CE C 13 41.702 0.000 . . . . . A 76 LYS CE . 25983 1 883 . 1 1 76 76 LYS N N 15 112.345 0.000 . . . . . A 76 LYS N . 25983 1 884 . 1 1 77 77 THR H H 1 8.487 0.002 . . . . . A 77 THR H . 25983 1 885 . 1 1 77 77 THR HA H 1 4.396 0.007 . . . . . A 77 THR HA . 25983 1 886 . 1 1 77 77 THR HB H 1 4.344 0.002 . . . . . A 77 THR HB . 25983 1 887 . 1 1 77 77 THR HG21 H 1 1.100 0.001 . . . . . A 77 THR HG21 . 25983 1 888 . 1 1 77 77 THR HG22 H 1 1.100 0.001 . . . . . A 77 THR HG22 . 25983 1 889 . 1 1 77 77 THR HG23 H 1 1.100 0.001 . . . . . A 77 THR HG23 . 25983 1 890 . 1 1 77 77 THR CA C 13 62.022 0.000 . . . . . A 77 THR CA . 25983 1 891 . 1 1 77 77 THR CB C 13 68.458 0.000 . . . . . A 77 THR CB . 25983 1 892 . 1 1 77 77 THR CG2 C 13 21.542 0.000 . . . . . A 77 THR CG2 . 25983 1 893 . 1 1 77 77 THR N N 15 109.020 0.000 . . . . . A 77 THR N . 25983 1 894 . 1 1 78 78 LEU H H 1 6.950 0.010 . . . . . A 78 LEU H . 25983 1 895 . 1 1 78 78 LEU HA H 1 4.714 0.002 . . . . . A 78 LEU HA . 25983 1 896 . 1 1 78 78 LEU HB2 H 1 1.312 0.011 . . . . . A 78 LEU HB2 . 25983 1 897 . 1 1 78 78 LEU HB3 H 1 1.326 0.004 . . . . . A 78 LEU HB3 . 25983 1 898 . 1 1 78 78 LEU HG H 1 1.479 0.008 . . . . . A 78 LEU HG . 25983 1 899 . 1 1 78 78 LEU HD11 H 1 0.880 0.012 . . . . . A 78 LEU HD11 . 25983 1 900 . 1 1 78 78 LEU HD12 H 1 0.880 0.012 . . . . . A 78 LEU HD12 . 25983 1 901 . 1 1 78 78 LEU HD13 H 1 0.880 0.012 . . . . . A 78 LEU HD13 . 25983 1 902 . 1 1 78 78 LEU HD21 H 1 0.787 0.014 . . . . . A 78 LEU HD21 . 25983 1 903 . 1 1 78 78 LEU HD22 H 1 0.787 0.014 . . . . . A 78 LEU HD22 . 25983 1 904 . 1 1 78 78 LEU HD23 H 1 0.787 0.014 . . . . . A 78 LEU HD23 . 25983 1 905 . 1 1 78 78 LEU CA C 13 53.303 0.000 . . . . . A 78 LEU CA . 25983 1 906 . 1 1 78 78 LEU CB C 13 45.739 0.000 . . . . . A 78 LEU CB . 25983 1 907 . 1 1 78 78 LEU CG C 13 26.465 0.000 . . . . . A 78 LEU CG . 25983 1 908 . 1 1 78 78 LEU CD1 C 13 22.715 0.000 . . . . . A 78 LEU CD1 . 25983 1 909 . 1 1 78 78 LEU CD2 C 13 25.903 0.082 . . . . . A 78 LEU CD2 . 25983 1 910 . 1 1 78 78 LEU N N 15 124.242 0.000 . . . . . A 78 LEU N . 25983 1 911 . 1 1 79 79 THR H H 1 8.762 0.017 . . . . . A 79 THR H . 25983 1 912 . 1 1 79 79 THR HA H 1 4.494 0.007 . . . . . A 79 THR HA . 25983 1 913 . 1 1 79 79 THR HB H 1 4.523 0.021 . . . . . A 79 THR HB . 25983 1 914 . 1 1 79 79 THR HG21 H 1 1.167 0.010 . . . . . A 79 THR HG21 . 25983 1 915 . 1 1 79 79 THR HG22 H 1 1.167 0.010 . . . . . A 79 THR HG22 . 25983 1 916 . 1 1 79 79 THR HG23 H 1 1.167 0.010 . . . . . A 79 THR HG23 . 25983 1 917 . 1 1 79 79 THR CA C 13 60.022 0.000 . . . . . A 79 THR CA . 25983 1 918 . 1 1 79 79 THR CB C 13 70.443 0.000 . . . . . A 79 THR CB . 25983 1 919 . 1 1 79 79 THR CG2 C 13 21.744 0.000 . . . . . A 79 THR CG2 . 25983 1 920 . 1 1 79 79 THR N N 15 116.344 0.000 . . . . . A 79 THR N . 25983 1 921 . 1 1 80 80 VAL H H 1 9.098 0.010 . . . . . A 80 VAL H . 25983 1 922 . 1 1 80 80 VAL HA H 1 3.362 0.012 . . . . . A 80 VAL HA . 25983 1 923 . 1 1 80 80 VAL HB H 1 1.975 0.010 . . . . . A 80 VAL HB . 25983 1 924 . 1 1 80 80 VAL HG11 H 1 0.810 0.013 . . . . . A 80 VAL HG11 . 25983 1 925 . 1 1 80 80 VAL HG12 H 1 0.810 0.013 . . . . . A 80 VAL HG12 . 25983 1 926 . 1 1 80 80 VAL HG13 H 1 0.810 0.013 . . . . . A 80 VAL HG13 . 25983 1 927 . 1 1 80 80 VAL HG21 H 1 0.973 0.016 . . . . . A 80 VAL HG21 . 25983 1 928 . 1 1 80 80 VAL HG22 H 1 0.973 0.016 . . . . . A 80 VAL HG22 . 25983 1 929 . 1 1 80 80 VAL HG23 H 1 0.973 0.016 . . . . . A 80 VAL HG23 . 25983 1 930 . 1 1 80 80 VAL CA C 13 66.652 0.000 . . . . . A 80 VAL CA . 25983 1 931 . 1 1 80 80 VAL CB C 13 31.070 0.000 . . . . . A 80 VAL CB . 25983 1 932 . 1 1 80 80 VAL CG1 C 13 21.302 0.000 . . . . . A 80 VAL CG1 . 25983 1 933 . 1 1 80 80 VAL CG2 C 13 23.275 0.000 . . . . . A 80 VAL CG2 . 25983 1 934 . 1 1 80 80 VAL N N 15 121.535 0.000 . . . . . A 80 VAL N . 25983 1 935 . 1 1 81 81 GLY H H 1 8.536 0.026 . . . . . A 81 GLY H . 25983 1 936 . 1 1 81 81 GLY HA2 H 1 3.687 0.005 . . . . . A 81 GLY HA2 . 25983 1 937 . 1 1 81 81 GLY HA3 H 1 3.845 0.000 . . . . . A 81 GLY HA3 . 25983 1 938 . 1 1 81 81 GLY CA C 13 46.924 0.000 . . . . . A 81 GLY CA . 25983 1 939 . 1 1 81 81 GLY N N 15 105.142 0.000 . . . . . A 81 GLY N . 25983 1 940 . 1 1 82 82 ASP H H 1 7.830 0.011 . . . . . A 82 ASP H . 25983 1 941 . 1 1 82 82 ASP HA H 1 4.455 0.014 . . . . . A 82 ASP HA . 25983 1 942 . 1 1 82 82 ASP HB2 H 1 2.449 0.009 . . . . . A 82 ASP HB2 . 25983 1 943 . 1 1 82 82 ASP HB3 H 1 2.690 0.007 . . . . . A 82 ASP HB3 . 25983 1 944 . 1 1 82 82 ASP CA C 13 56.705 0.000 . . . . . A 82 ASP CA . 25983 1 945 . 1 1 82 82 ASP CB C 13 39.501 0.000 . . . . . A 82 ASP CB . 25983 1 946 . 1 1 82 82 ASP N N 15 122.009 0.000 . . . . . A 82 ASP N . 25983 1 947 . 1 1 83 83 ALA H H 1 8.391 0.013 . . . . . A 83 ALA H . 25983 1 948 . 1 1 83 83 ALA HA H 1 3.773 0.004 . . . . . A 83 ALA HA . 25983 1 949 . 1 1 83 83 ALA HB1 H 1 1.347 0.006 . . . . . A 83 ALA HB1 . 25983 1 950 . 1 1 83 83 ALA HB2 H 1 1.347 0.006 . . . . . A 83 ALA HB2 . 25983 1 951 . 1 1 83 83 ALA HB3 H 1 1.347 0.006 . . . . . A 83 ALA HB3 . 25983 1 952 . 1 1 83 83 ALA CA C 13 55.137 0.000 . . . . . A 83 ALA CA . 25983 1 953 . 1 1 83 83 ALA CB C 13 17.398 0.000 . . . . . A 83 ALA CB . 25983 1 954 . 1 1 83 83 ALA N N 15 122.109 0.000 . . . . . A 83 ALA N . 25983 1 955 . 1 1 84 84 LEU H H 1 8.434 0.007 . . . . . A 84 LEU H . 25983 1 956 . 1 1 84 84 LEU HA H 1 4.151 0.010 . . . . . A 84 LEU HA . 25983 1 957 . 1 1 84 84 LEU HB2 H 1 1.584 0.012 . . . . . A 84 LEU HB2 . 25983 1 958 . 1 1 84 84 LEU HB3 H 1 1.859 0.001 . . . . . A 84 LEU HB3 . 25983 1 959 . 1 1 84 84 LEU HG H 1 1.459 0.000 . . . . . A 84 LEU HG . 25983 1 960 . 1 1 84 84 LEU HD11 H 1 0.827 0.007 . . . . . A 84 LEU HD11 . 25983 1 961 . 1 1 84 84 LEU HD12 H 1 0.827 0.007 . . . . . A 84 LEU HD12 . 25983 1 962 . 1 1 84 84 LEU HD13 H 1 0.827 0.007 . . . . . A 84 LEU HD13 . 25983 1 963 . 1 1 84 84 LEU HD21 H 1 0.853 0.017 . . . . . A 84 LEU HD21 . 25983 1 964 . 1 1 84 84 LEU HD22 H 1 0.853 0.017 . . . . . A 84 LEU HD22 . 25983 1 965 . 1 1 84 84 LEU HD23 H 1 0.853 0.017 . . . . . A 84 LEU HD23 . 25983 1 966 . 1 1 84 84 LEU CA C 13 57.823 0.208 . . . . . A 84 LEU CA . 25983 1 967 . 1 1 84 84 LEU CB C 13 41.848 0.000 . . . . . A 84 LEU CB . 25983 1 968 . 1 1 84 84 LEU CG C 13 25.840 0.000 . . . . . A 84 LEU CG . 25983 1 969 . 1 1 84 84 LEU CD1 C 13 23.689 0.000 . . . . . A 84 LEU CD1 . 25983 1 970 . 1 1 84 84 LEU CD2 C 13 24.022 0.000 . . . . . A 84 LEU CD2 . 25983 1 971 . 1 1 84 84 LEU N N 15 118.253 0.000 . . . . . A 84 LEU N . 25983 1 972 . 1 1 85 85 LYS H H 1 7.919 0.016 . . . . . A 85 LYS H . 25983 1 973 . 1 1 85 85 LYS HA H 1 4.031 0.001 . . . . . A 85 LYS HA . 25983 1 974 . 1 1 85 85 LYS HB2 H 1 1.980 0.015 . . . . . A 85 LYS HB2 . 25983 1 975 . 1 1 85 85 LYS HB3 H 1 2.023 0.012 . . . . . A 85 LYS HB3 . 25983 1 976 . 1 1 85 85 LYS HG2 H 1 1.452 0.013 . . . . . A 85 LYS HG2 . 25983 1 977 . 1 1 85 85 LYS HD2 H 1 1.689 0.011 . . . . . A 85 LYS HD2 . 25983 1 978 . 1 1 85 85 LYS HE2 H 1 2.935 0.007 . . . . . A 85 LYS HE2 . 25983 1 979 . 1 1 85 85 LYS CA C 13 58.887 0.000 . . . . . A 85 LYS CA . 25983 1 980 . 1 1 85 85 LYS CB C 13 32.167 0.000 . . . . . A 85 LYS CB . 25983 1 981 . 1 1 85 85 LYS CG C 13 24.985 0.000 . . . . . A 85 LYS CG . 25983 1 982 . 1 1 85 85 LYS CD C 13 28.702 0.000 . . . . . A 85 LYS CD . 25983 1 983 . 1 1 85 85 LYS CE C 13 41.702 0.000 . . . . . A 85 LYS CE . 25983 1 984 . 1 1 85 85 LYS N N 15 121.160 0.000 . . . . . A 85 LYS N . 25983 1 985 . 1 1 86 86 GLN H H 1 8.063 0.006 . . . . . A 86 GLN H . 25983 1 986 . 1 1 86 86 GLN HA H 1 4.262 0.008 . . . . . A 86 GLN HA . 25983 1 987 . 1 1 86 86 GLN HB2 H 1 1.800 0.006 . . . . . A 86 GLN HB2 . 25983 1 988 . 1 1 86 86 GLN HB3 H 1 2.309 0.013 . . . . . A 86 GLN HB3 . 25983 1 989 . 1 1 86 86 GLN HG2 H 1 2.366 0.023 . . . . . A 86 GLN HG2 . 25983 1 990 . 1 1 86 86 GLN HG3 H 1 2.593 0.003 . . . . . A 86 GLN HG3 . 25983 1 991 . 1 1 86 86 GLN HE21 H 1 7.228 0.005 . . . . . A 86 GLN HE21 . 25983 1 992 . 1 1 86 86 GLN HE22 H 1 6.574 0.008 . . . . . A 86 GLN HE22 . 25983 1 993 . 1 1 86 86 GLN CA C 13 55.520 0.000 . . . . . A 86 GLN CA . 25983 1 994 . 1 1 86 86 GLN CB C 13 29.195 0.000 . . . . . A 86 GLN CB . 25983 1 995 . 1 1 86 86 GLN CG C 13 33.735 0.000 . . . . . A 86 GLN CG . 25983 1 996 . 1 1 86 86 GLN N N 15 114.251 0.000 . . . . . A 86 GLN N . 25983 1 997 . 1 1 86 86 GLN NE2 N 15 108.482 0.029 . . . . . A 86 GLN NE2 . 25983 1 998 . 1 1 87 87 GLY H H 1 7.767 0.004 . . . . . A 87 GLY H . 25983 1 999 . 1 1 87 87 GLY HA2 H 1 3.957 0.016 . . . . . A 87 GLY HA2 . 25983 1 1000 . 1 1 87 87 GLY HA3 H 1 4.074 0.014 . . . . . A 87 GLY HA3 . 25983 1 1001 . 1 1 87 87 GLY CA C 13 45.762 0.000 . . . . . A 87 GLY CA . 25983 1 1002 . 1 1 87 87 GLY N N 15 107.324 0.000 . . . . . A 87 GLY N . 25983 1 1003 . 1 1 88 88 LYS H H 1 8.167 0.003 . . . . . A 88 LYS H . 25983 1 1004 . 1 1 88 88 LYS HA H 1 4.174 0.008 . . . . . A 88 LYS HA . 25983 1 1005 . 1 1 88 88 LYS HB2 H 1 1.564 0.007 . . . . . A 88 LYS HB2 . 25983 1 1006 . 1 1 88 88 LYS HB3 H 1 1.840 0.002 . . . . . A 88 LYS HB3 . 25983 1 1007 . 1 1 88 88 LYS HG2 H 1 1.456 0.005 . . . . . A 88 LYS HG2 . 25983 1 1008 . 1 1 88 88 LYS HG3 H 1 1.302 0.006 . . . . . A 88 LYS HG3 . 25983 1 1009 . 1 1 88 88 LYS HD2 H 1 1.682 0.012 . . . . . A 88 LYS HD2 . 25983 1 1010 . 1 1 88 88 LYS HE2 H 1 2.943 0.002 . . . . . A 88 LYS HE2 . 25983 1 1011 . 1 1 88 88 LYS HE3 H 1 2.943 0.006 . . . . . A 88 LYS HE3 . 25983 1 1012 . 1 1 88 88 LYS CA C 13 57.165 0.000 . . . . . A 88 LYS CA . 25983 1 1013 . 1 1 88 88 LYS CB C 13 33.671 0.000 . . . . . A 88 LYS CB . 25983 1 1014 . 1 1 88 88 LYS CG C 13 25.840 0.000 . . . . . A 88 LYS CG . 25983 1 1015 . 1 1 88 88 LYS CD C 13 28.702 0.000 . . . . . A 88 LYS CD . 25983 1 1016 . 1 1 88 88 LYS CE C 13 41.702 0.000 . . . . . A 88 LYS CE . 25983 1 1017 . 1 1 88 88 LYS N N 15 116.397 0.000 . . . . . A 88 LYS N . 25983 1 1018 . 1 1 89 89 ILE H H 1 7.060 0.001 . . . . . A 89 ILE H . 25983 1 1019 . 1 1 89 89 ILE HA H 1 4.434 0.015 . . . . . A 89 ILE HA . 25983 1 1020 . 1 1 89 89 ILE HB H 1 1.405 0.009 . . . . . A 89 ILE HB . 25983 1 1021 . 1 1 89 89 ILE HG12 H 1 1.302 0.015 . . . . . A 89 ILE HG12 . 25983 1 1022 . 1 1 89 89 ILE HG13 H 1 1.357 0.012 . . . . . A 89 ILE HG13 . 25983 1 1023 . 1 1 89 89 ILE HG21 H 1 0.708 0.010 . . . . . A 89 ILE HG21 . 25983 1 1024 . 1 1 89 89 ILE HG22 H 1 0.708 0.010 . . . . . A 89 ILE HG22 . 25983 1 1025 . 1 1 89 89 ILE HG23 H 1 0.708 0.010 . . . . . A 89 ILE HG23 . 25983 1 1026 . 1 1 89 89 ILE HD11 H 1 0.729 0.004 . . . . . A 89 ILE HD11 . 25983 1 1027 . 1 1 89 89 ILE HD12 H 1 0.729 0.004 . . . . . A 89 ILE HD12 . 25983 1 1028 . 1 1 89 89 ILE HD13 H 1 0.729 0.004 . . . . . A 89 ILE HD13 . 25983 1 1029 . 1 1 89 89 ILE CA C 13 59.798 0.000 . . . . . A 89 ILE CA . 25983 1 1030 . 1 1 89 89 ILE CB C 13 41.000 0.000 . . . . . A 89 ILE CB . 25983 1 1031 . 1 1 89 89 ILE CG1 C 13 27.055 0.137 . . . . . A 89 ILE CG1 . 25983 1 1032 . 1 1 89 89 ILE CG2 C 13 18.187 0.000 . . . . . A 89 ILE CG2 . 25983 1 1033 . 1 1 89 89 ILE CD1 C 13 14.210 0.000 . . . . . A 89 ILE CD1 . 25983 1 1034 . 1 1 89 89 ILE N N 15 115.503 0.000 . . . . . A 89 ILE N . 25983 1 1035 . 1 1 90 90 GLU H H 1 8.612 0.001 . . . . . A 90 GLU H . 25983 1 1036 . 1 1 90 90 GLU HA H 1 4.537 0.007 . . . . . A 90 GLU HA . 25983 1 1037 . 1 1 90 90 GLU HB2 H 1 1.892 0.001 . . . . . A 90 GLU HB2 . 25983 1 1038 . 1 1 90 90 GLU HB3 H 1 2.008 0.012 . . . . . A 90 GLU HB3 . 25983 1 1039 . 1 1 90 90 GLU HG2 H 1 2.161 0.010 . . . . . A 90 GLU HG2 . 25983 1 1040 . 1 1 90 90 GLU HG3 H 1 2.104 0.000 . . . . . A 90 GLU HG3 . 25983 1 1041 . 1 1 90 90 GLU CA C 13 55.011 0.000 . . . . . A 90 GLU CA . 25983 1 1042 . 1 1 90 90 GLU CB C 13 31.444 0.000 . . . . . A 90 GLU CB . 25983 1 1043 . 1 1 90 90 GLU CG C 13 35.840 0.000 . . . . . A 90 GLU CG . 25983 1 1044 . 1 1 90 90 GLU N N 15 126.770 0.000 . . . . . A 90 GLU N . 25983 1 1045 . 1 1 91 91 LEU H H 1 8.777 0.011 . . . . . A 91 LEU H . 25983 1 1046 . 1 1 91 91 LEU HA H 1 5.422 0.007 . . . . . A 91 LEU HA . 25983 1 1047 . 1 1 91 91 LEU HB2 H 1 1.402 0.004 . . . . . A 91 LEU HB2 . 25983 1 1048 . 1 1 91 91 LEU HB3 H 1 1.537 0.012 . . . . . A 91 LEU HB3 . 25983 1 1049 . 1 1 91 91 LEU HG H 1 1.480 0.011 . . . . . A 91 LEU HG . 25983 1 1050 . 1 1 91 91 LEU HD11 H 1 0.771 0.001 . . . . . A 91 LEU HD11 . 25983 1 1051 . 1 1 91 91 LEU HD12 H 1 0.771 0.001 . . . . . A 91 LEU HD12 . 25983 1 1052 . 1 1 91 91 LEU HD13 H 1 0.771 0.001 . . . . . A 91 LEU HD13 . 25983 1 1053 . 1 1 91 91 LEU HD21 H 1 0.833 0.009 . . . . . A 91 LEU HD21 . 25983 1 1054 . 1 1 91 91 LEU HD22 H 1 0.833 0.009 . . . . . A 91 LEU HD22 . 25983 1 1055 . 1 1 91 91 LEU HD23 H 1 0.833 0.009 . . . . . A 91 LEU HD23 . 25983 1 1056 . 1 1 91 91 LEU CA C 13 53.415 0.000 . . . . . A 91 LEU CA . 25983 1 1057 . 1 1 91 91 LEU CB C 13 45.609 0.000 . . . . . A 91 LEU CB . 25983 1 1058 . 1 1 91 91 LEU CG C 13 26.776 0.048 . . . . . A 91 LEU CG . 25983 1 1059 . 1 1 91 91 LEU CD1 C 13 25.794 0.000 . . . . . A 91 LEU CD1 . 25983 1 1060 . 1 1 91 91 LEU CD2 C 13 24.022 0.000 . . . . . A 91 LEU CD2 . 25983 1 1061 . 1 1 91 91 LEU N N 15 126.359 0.000 . . . . . A 91 LEU N . 25983 1 1062 . 1 1 92 92 SER H H 1 8.741 0.012 . . . . . A 92 SER H . 25983 1 1063 . 1 1 92 92 SER HA H 1 4.693 0.003 . . . . . A 92 SER HA . 25983 1 1064 . 1 1 92 92 SER HB2 H 1 3.762 0.002 . . . . . A 92 SER HB2 . 25983 1 1065 . 1 1 92 92 SER HB3 H 1 3.828 0.002 . . . . . A 92 SER HB3 . 25983 1 1066 . 1 1 92 92 SER CA C 13 56.900 0.000 . . . . . A 92 SER CA . 25983 1 1067 . 1 1 92 92 SER CB C 13 65.366 0.000 . . . . . A 92 SER CB . 25983 1 1068 . 1 1 92 92 SER N N 15 116.614 0.000 . . . . . A 92 SER N . 25983 1 1069 . 1 1 93 93 GLY H H 1 8.737 0.000 . . . . . A 93 GLY H . 25983 1 1070 . 1 1 93 93 GLY HA2 H 1 3.604 0.010 . . . . . A 93 GLY HA2 . 25983 1 1071 . 1 1 93 93 GLY HA3 H 1 4.681 0.007 . . . . . A 93 GLY HA3 . 25983 1 1072 . 1 1 93 93 GLY CA C 13 44.340 0.000 . . . . . A 93 GLY CA . 25983 1 1073 . 1 1 93 93 GLY N N 15 110.414 0.000 . . . . . A 93 GLY N . 25983 1 1074 . 1 1 94 94 ASP H H 1 8.162 0.009 . . . . . A 94 ASP H . 25983 1 1075 . 1 1 94 94 ASP HA H 1 4.428 0.001 . . . . . A 94 ASP HA . 25983 1 1076 . 1 1 94 94 ASP HB2 H 1 2.617 0.016 . . . . . A 94 ASP HB2 . 25983 1 1077 . 1 1 94 94 ASP HB3 H 1 2.664 0.004 . . . . . A 94 ASP HB3 . 25983 1 1078 . 1 1 94 94 ASP CA C 13 54.567 0.000 . . . . . A 94 ASP CA . 25983 1 1079 . 1 1 94 94 ASP CB C 13 41.322 0.000 . . . . . A 94 ASP CB . 25983 1 1080 . 1 1 94 94 ASP N N 15 122.804 0.000 . . . . . A 94 ASP N . 25983 1 1081 . 1 1 95 95 ALA H H 1 8.627 0.007 . . . . . A 95 ALA H . 25983 1 1082 . 1 1 95 95 ALA HA H 1 3.939 0.003 . . . . . A 95 ALA HA . 25983 1 1083 . 1 1 95 95 ALA HB1 H 1 1.456 0.016 . . . . . A 95 ALA HB1 . 25983 1 1084 . 1 1 95 95 ALA HB2 H 1 1.456 0.016 . . . . . A 95 ALA HB2 . 25983 1 1085 . 1 1 95 95 ALA HB3 H 1 1.456 0.016 . . . . . A 95 ALA HB3 . 25983 1 1086 . 1 1 95 95 ALA CA C 13 54.763 0.000 . . . . . A 95 ALA CA . 25983 1 1087 . 1 1 95 95 ALA CB C 13 18.571 0.000 . . . . . A 95 ALA CB . 25983 1 1088 . 1 1 95 95 ALA N N 15 130.027 0.000 . . . . . A 95 ALA N . 25983 1 1089 . 1 1 96 96 ASP H H 1 8.194 0.013 . . . . . A 96 ASP H . 25983 1 1090 . 1 1 96 96 ASP HA H 1 4.456 0.004 . . . . . A 96 ASP HA . 25983 1 1091 . 1 1 96 96 ASP HB2 H 1 2.662 0.016 . . . . . A 96 ASP HB2 . 25983 1 1092 . 1 1 96 96 ASP HB3 H 1 2.796 0.008 . . . . . A 96 ASP HB3 . 25983 1 1093 . 1 1 96 96 ASP CA C 13 56.981 0.000 . . . . . A 96 ASP CA . 25983 1 1094 . 1 1 96 96 ASP CB C 13 40.444 0.000 . . . . . A 96 ASP CB . 25983 1 1095 . 1 1 96 96 ASP N N 15 119.433 0.000 . . . . . A 96 ASP N . 25983 1 1096 . 1 1 97 97 LEU H H 1 8.066 0.002 . . . . . A 97 LEU H . 25983 1 1097 . 1 1 97 97 LEU HA H 1 4.069 0.006 . . . . . A 97 LEU HA . 25983 1 1098 . 1 1 97 97 LEU HB2 H 1 1.393 0.010 . . . . . A 97 LEU HB2 . 25983 1 1099 . 1 1 97 97 LEU HB3 H 1 1.545 0.014 . . . . . A 97 LEU HB3 . 25983 1 1100 . 1 1 97 97 LEU HG H 1 1.614 0.016 . . . . . A 97 LEU HG . 25983 1 1101 . 1 1 97 97 LEU HD11 H 1 0.741 0.007 . . . . . A 97 LEU HD11 . 25983 1 1102 . 1 1 97 97 LEU HD12 H 1 0.741 0.007 . . . . . A 97 LEU HD12 . 25983 1 1103 . 1 1 97 97 LEU HD13 H 1 0.741 0.007 . . . . . A 97 LEU HD13 . 25983 1 1104 . 1 1 97 97 LEU HD21 H 1 0.877 0.003 . . . . . A 97 LEU HD21 . 25983 1 1105 . 1 1 97 97 LEU HD22 H 1 0.877 0.003 . . . . . A 97 LEU HD22 . 25983 1 1106 . 1 1 97 97 LEU HD23 H 1 0.877 0.003 . . . . . A 97 LEU HD23 . 25983 1 1107 . 1 1 97 97 LEU CA C 13 57.233 0.145 . . . . . A 97 LEU CA . 25983 1 1108 . 1 1 97 97 LEU CB C 13 41.861 0.000 . . . . . A 97 LEU CB . 25983 1 1109 . 1 1 97 97 LEU CG C 13 26.896 0.000 . . . . . A 97 LEU CG . 25983 1 1110 . 1 1 97 97 LEU CD1 C 13 25.166 0.000 . . . . . A 97 LEU CD1 . 25983 1 1111 . 1 1 97 97 LEU CD2 C 13 24.709 0.000 . . . . . A 97 LEU CD2 . 25983 1 1112 . 1 1 97 97 LEU N N 15 122.309 0.000 . . . . . A 97 LEU N . 25983 1 1113 . 1 1 98 98 ALA H H 1 7.877 0.005 . . . . . A 98 ALA H . 25983 1 1114 . 1 1 98 98 ALA HA H 1 4.001 0.006 . . . . . A 98 ALA HA . 25983 1 1115 . 1 1 98 98 ALA HB1 H 1 1.442 0.010 . . . . . A 98 ALA HB1 . 25983 1 1116 . 1 1 98 98 ALA HB2 H 1 1.442 0.010 . . . . . A 98 ALA HB2 . 25983 1 1117 . 1 1 98 98 ALA HB3 H 1 1.442 0.010 . . . . . A 98 ALA HB3 . 25983 1 1118 . 1 1 98 98 ALA CA C 13 55.060 0.000 . . . . . A 98 ALA CA . 25983 1 1119 . 1 1 98 98 ALA CB C 13 18.415 0.000 . . . . . A 98 ALA CB . 25983 1 1120 . 1 1 98 98 ALA N N 15 118.960 0.000 . . . . . A 98 ALA N . 25983 1 1121 . 1 1 99 99 ALA H H 1 7.796 0.010 . . . . . A 99 ALA H . 25983 1 1122 . 1 1 99 99 ALA HA H 1 4.020 0.000 . . . . . A 99 ALA HA . 25983 1 1123 . 1 1 99 99 ALA HB1 H 1 1.537 0.008 . . . . . A 99 ALA HB1 . 25983 1 1124 . 1 1 99 99 ALA HB2 H 1 1.537 0.008 . . . . . A 99 ALA HB2 . 25983 1 1125 . 1 1 99 99 ALA HB3 H 1 1.537 0.008 . . . . . A 99 ALA HB3 . 25983 1 1126 . 1 1 99 99 ALA CA C 13 54.822 0.000 . . . . . A 99 ALA CA . 25983 1 1127 . 1 1 99 99 ALA CB C 13 17.636 0.000 . . . . . A 99 ALA CB . 25983 1 1128 . 1 1 99 99 ALA N N 15 118.853 0.000 . . . . . A 99 ALA N . 25983 1 1129 . 1 1 100 100 LYS H H 1 7.941 0.007 . . . . . A 100 LYS H . 25983 1 1130 . 1 1 100 100 LYS HA H 1 4.043 0.005 . . . . . A 100 LYS HA . 25983 1 1131 . 1 1 100 100 LYS HB2 H 1 1.774 0.015 . . . . . A 100 LYS HB2 . 25983 1 1132 . 1 1 100 100 LYS HB3 H 1 1.988 0.006 . . . . . A 100 LYS HB3 . 25983 1 1133 . 1 1 100 100 LYS HG2 H 1 1.511 0.005 . . . . . A 100 LYS HG2 . 25983 1 1134 . 1 1 100 100 LYS HD2 H 1 1.681 0.017 . . . . . A 100 LYS HD2 . 25983 1 1135 . 1 1 100 100 LYS HE2 H 1 2.942 0.007 . . . . . A 100 LYS HE2 . 25983 1 1136 . 1 1 100 100 LYS HE3 H 1 2.961 0.000 . . . . . A 100 LYS HE3 . 25983 1 1137 . 1 1 100 100 LYS CA C 13 58.760 0.000 . . . . . A 100 LYS CA . 25983 1 1138 . 1 1 100 100 LYS CB C 13 32.243 0.000 . . . . . A 100 LYS CB . 25983 1 1139 . 1 1 100 100 LYS CG C 13 24.832 0.000 . . . . . A 100 LYS CG . 25983 1 1140 . 1 1 100 100 LYS CD C 13 28.702 0.000 . . . . . A 100 LYS CD . 25983 1 1141 . 1 1 100 100 LYS CE C 13 41.702 0.000 . . . . . A 100 LYS CE . 25983 1 1142 . 1 1 100 100 LYS N N 15 118.723 0.000 . . . . . A 100 LYS N . 25983 1 1143 . 1 1 101 101 LEU H H 1 8.049 0.007 . . . . . A 101 LEU H . 25983 1 1144 . 1 1 101 101 LEU HA H 1 3.949 0.009 . . . . . A 101 LEU HA . 25983 1 1145 . 1 1 101 101 LEU HB2 H 1 1.280 0.010 . . . . . A 101 LEU HB2 . 25983 1 1146 . 1 1 101 101 LEU HB3 H 1 1.875 0.001 . . . . . A 101 LEU HB3 . 25983 1 1147 . 1 1 101 101 LEU HG H 1 1.291 0.000 . . . . . A 101 LEU HG . 25983 1 1148 . 1 1 101 101 LEU HD11 H 1 0.484 0.001 . . . . . A 101 LEU HD11 . 25983 1 1149 . 1 1 101 101 LEU HD12 H 1 0.484 0.001 . . . . . A 101 LEU HD12 . 25983 1 1150 . 1 1 101 101 LEU HD13 H 1 0.484 0.001 . . . . . A 101 LEU HD13 . 25983 1 1151 . 1 1 101 101 LEU HD21 H 1 0.106 0.012 . . . . . A 101 LEU HD21 . 25983 1 1152 . 1 1 101 101 LEU HD22 H 1 0.106 0.012 . . . . . A 101 LEU HD22 . 25983 1 1153 . 1 1 101 101 LEU HD23 H 1 0.106 0.012 . . . . . A 101 LEU HD23 . 25983 1 1154 . 1 1 101 101 LEU CA C 13 57.218 0.000 . . . . . A 101 LEU CA . 25983 1 1155 . 1 1 101 101 LEU CB C 13 40.191 0.000 . . . . . A 101 LEU CB . 25983 1 1156 . 1 1 101 101 LEU CG C 13 26.289 0.000 . . . . . A 101 LEU CG . 25983 1 1157 . 1 1 101 101 LEU CD1 C 13 22.409 0.000 . . . . . A 101 LEU CD1 . 25983 1 1158 . 1 1 101 101 LEU CD2 C 13 25.292 0.000 . . . . . A 101 LEU CD2 . 25983 1 1159 . 1 1 101 101 LEU N N 15 119.153 0.000 . . . . . A 101 LEU N . 25983 1 1160 . 1 1 102 102 ALA H H 1 8.222 0.010 . . . . . A 102 ALA H . 25983 1 1161 . 1 1 102 102 ALA HA H 1 3.743 0.009 . . . . . A 102 ALA HA . 25983 1 1162 . 1 1 102 102 ALA HB1 H 1 1.411 0.007 . . . . . A 102 ALA HB1 . 25983 1 1163 . 1 1 102 102 ALA HB2 H 1 1.411 0.007 . . . . . A 102 ALA HB2 . 25983 1 1164 . 1 1 102 102 ALA HB3 H 1 1.411 0.007 . . . . . A 102 ALA HB3 . 25983 1 1165 . 1 1 102 102 ALA CA C 13 55.414 0.000 . . . . . A 102 ALA CA . 25983 1 1166 . 1 1 102 102 ALA CB C 13 17.244 0.000 . . . . . A 102 ALA CB . 25983 1 1167 . 1 1 102 102 ALA N N 15 119.696 0.000 . . . . . A 102 ALA N . 25983 1 1168 . 1 1 103 103 GLU H H 1 7.520 0.003 . . . . . A 103 GLU H . 25983 1 1169 . 1 1 103 103 GLU HA H 1 3.997 0.006 . . . . . A 103 GLU HA . 25983 1 1170 . 1 1 103 103 GLU HB2 H 1 2.150 0.005 . . . . . A 103 GLU HB2 . 25983 1 1171 . 1 1 103 103 GLU HB3 H 1 2.111 0.014 . . . . . A 103 GLU HB3 . 25983 1 1172 . 1 1 103 103 GLU HG2 H 1 2.405 0.006 . . . . . A 103 GLU HG2 . 25983 1 1173 . 1 1 103 103 GLU HG3 H 1 2.413 0.006 . . . . . A 103 GLU HG3 . 25983 1 1174 . 1 1 103 103 GLU CA C 13 58.810 0.000 . . . . . A 103 GLU CA . 25983 1 1175 . 1 1 103 103 GLU CB C 13 29.667 0.000 . . . . . A 103 GLU CB . 25983 1 1176 . 1 1 103 103 GLU CG C 13 35.993 0.000 . . . . . A 103 GLU CG . 25983 1 1177 . 1 1 103 103 GLU N N 15 115.410 0.000 . . . . . A 103 GLU N . 25983 1 1178 . 1 1 104 104 VAL H H 1 7.587 0.020 . . . . . A 104 VAL H . 25983 1 1179 . 1 1 104 104 VAL HA H 1 3.927 0.040 . . . . . A 104 VAL HA . 25983 1 1180 . 1 1 104 104 VAL HB H 1 2.254 0.014 . . . . . A 104 VAL HB . 25983 1 1181 . 1 1 104 104 VAL HG11 H 1 0.989 0.012 . . . . . A 104 VAL HG11 . 25983 1 1182 . 1 1 104 104 VAL HG12 H 1 0.989 0.012 . . . . . A 104 VAL HG12 . 25983 1 1183 . 1 1 104 104 VAL HG13 H 1 0.989 0.012 . . . . . A 104 VAL HG13 . 25983 1 1184 . 1 1 104 104 VAL HG21 H 1 0.870 0.012 . . . . . A 104 VAL HG21 . 25983 1 1185 . 1 1 104 104 VAL HG22 H 1 0.870 0.012 . . . . . A 104 VAL HG22 . 25983 1 1186 . 1 1 104 104 VAL HG23 H 1 0.870 0.012 . . . . . A 104 VAL HG23 . 25983 1 1187 . 1 1 104 104 VAL CA C 13 64.642 0.000 . . . . . A 104 VAL CA . 25983 1 1188 . 1 1 104 104 VAL CB C 13 31.545 0.000 . . . . . A 104 VAL CB . 25983 1 1189 . 1 1 104 104 VAL CG1 C 13 21.302 0.000 . . . . . A 104 VAL CG1 . 25983 1 1190 . 1 1 104 104 VAL CG2 C 13 21.232 0.000 . . . . . A 104 VAL CG2 . 25983 1 1191 . 1 1 104 104 VAL N N 15 115.855 0.000 . . . . . A 104 VAL N . 25983 1 1192 . 1 1 105 105 ILE H H 1 7.805 0.015 . . . . . A 105 ILE H . 25983 1 1193 . 1 1 105 105 ILE HA H 1 4.225 0.007 . . . . . A 105 ILE HA . 25983 1 1194 . 1 1 105 105 ILE HB H 1 1.824 0.006 . . . . . A 105 ILE HB . 25983 1 1195 . 1 1 105 105 ILE HG12 H 1 1.083 0.011 . . . . . A 105 ILE HG12 . 25983 1 1196 . 1 1 105 105 ILE HG13 H 1 1.073 0.005 . . . . . A 105 ILE HG13 . 25983 1 1197 . 1 1 105 105 ILE HG21 H 1 0.444 0.005 . . . . . A 105 ILE HG21 . 25983 1 1198 . 1 1 105 105 ILE HG22 H 1 0.444 0.005 . . . . . A 105 ILE HG22 . 25983 1 1199 . 1 1 105 105 ILE HG23 H 1 0.444 0.005 . . . . . A 105 ILE HG23 . 25983 1 1200 . 1 1 105 105 ILE HD11 H 1 -0.530 0.007 . . . . . A 105 ILE HD11 . 25983 1 1201 . 1 1 105 105 ILE HD12 H 1 -0.530 0.007 . . . . . A 105 ILE HD12 . 25983 1 1202 . 1 1 105 105 ILE HD13 H 1 -0.530 0.007 . . . . . A 105 ILE HD13 . 25983 1 1203 . 1 1 105 105 ILE CA C 13 62.292 0.000 . . . . . A 105 ILE CA . 25983 1 1204 . 1 1 105 105 ILE CB C 13 29.922 0.000 . . . . . A 105 ILE CB . 25983 1 1205 . 1 1 105 105 ILE CG1 C 13 27.572 0.000 . . . . . A 105 ILE CG1 . 25983 1 1206 . 1 1 105 105 ILE CG2 C 13 18.138 0.000 . . . . . A 105 ILE CG2 . 25983 1 1207 . 1 1 105 105 ILE CD1 C 13 13.332 0.000 . . . . . A 105 ILE CD1 . 25983 1 1208 . 1 1 105 105 ILE N N 15 122.590 0.000 . . . . . A 105 ILE N . 25983 1 1209 . 1 1 106 106 HIS H H 1 8.137 0.017 . . . . . A 106 HIS H . 25983 1 1210 . 1 1 106 106 HIS HA H 1 4.549 0.005 . . . . . A 106 HIS HA . 25983 1 1211 . 1 1 106 106 HIS HB2 H 1 3.009 0.006 . . . . . A 106 HIS HB2 . 25983 1 1212 . 1 1 106 106 HIS HD2 H 1 7.162 0.009 . . . . . A 106 HIS HD2 . 25983 1 1213 . 1 1 106 106 HIS HE1 H 1 8.065 0.000 . . . . . A 106 HIS HE1 . 25983 1 1214 . 1 1 106 106 HIS CA C 13 59.922 0.000 . . . . . A 106 HIS CA . 25983 1 1215 . 1 1 106 106 HIS CB C 13 28.622 0.000 . . . . . A 106 HIS CB . 25983 1 1216 . 1 1 106 106 HIS CD2 C 13 119.762 0.000 . . . . . A 106 HIS CD2 . 25983 1 1217 . 1 1 106 106 HIS N N 15 119.610 0.000 . . . . . A 106 HIS N . 25983 1 stop_ save_