data_25493 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25493 _Entry.Title ; Human Med26 N-Terminal Domain (1-92) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-19 _Entry.Accession_date 2015-02-19 _Entry.Last_release_date 2016-06-30 _Entry.Original_release_date 2016-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'NMR Solution Structure of the N-Terminal domain of human Med26, part of the Mediator Complex' _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 Riccardo Peruzzini . . . . 25493 2 Isabelle Landrieu . . . . 25493 3 Vincent Villeret . . . . 25493 4 Zoe Lens . . . . 25493 5 Francois-Xavier Cantrelle . . . . 25493 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' . 25493 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Med26 . 25493 mediator . 25493 'mediator complex' . 25493 nmr . 25493 'solution structure' . 25493 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25493 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 402 25493 '15N chemical shifts' 95 25493 '1H chemical shifts' 568 25493 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-07-06 2016-02-01 update author 'update assignments' 25493 1 . . 2016-06-30 2016-02-01 original author 'original release' 25493 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5ODD 'OneDep system' 25493 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 25493 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26861138 _Citation.Full_citation . _Citation.Title ; (1)H, (15)N and (13)C assignments of the N-terminal domain of the Mediator complex subunit MED26 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _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 233 _Citation.Page_last 236 _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 Riccardo Peruzzini . . . . 25493 1 2 Zoe Lens . . . . 25493 1 3 Alexis Verger . . . . 25493 1 4 Frederique Dewitte . . . . 25493 1 5 Elisabeth Ferreira . . . . 25493 1 6 Jean-Luc Baert . . . . 25493 1 7 Vincent Villeret . . . . 25493 1 8 Isabelle Landrieu . . . . 25493 1 9 Francois-Xavier Cantrelle . . . . 25493 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25493 _Assembly.ID 1 _Assembly.Name 'Human Med26 N-Terminal Domain (1-92)' _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 . . . 25493 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25493 _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 ; GMTAAPASPQQIRDRLLQAI DPQSNIRNMVAVLEVISSLE KYPITKEALEETRLGKLIND VRKKTKNEELAKRAKKLLRS WQKLIEPAHQHEA ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'FOLDED DOMAIN (6-86)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9410.110 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP O95402 . 'Med26 N-Ter' . . . . . . . . . . . . . . 25493 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 GLY . 25493 1 2 1 MET . 25493 1 3 2 THR . 25493 1 4 3 ALA . 25493 1 5 4 ALA . 25493 1 6 5 PRO . 25493 1 7 6 ALA . 25493 1 8 7 SER . 25493 1 9 8 PRO . 25493 1 10 9 GLN . 25493 1 11 10 GLN . 25493 1 12 11 ILE . 25493 1 13 12 ARG . 25493 1 14 13 ASP . 25493 1 15 14 ARG . 25493 1 16 15 LEU . 25493 1 17 16 LEU . 25493 1 18 17 GLN . 25493 1 19 18 ALA . 25493 1 20 19 ILE . 25493 1 21 20 ASP . 25493 1 22 21 PRO . 25493 1 23 22 GLN . 25493 1 24 23 SER . 25493 1 25 24 ASN . 25493 1 26 25 ILE . 25493 1 27 26 ARG . 25493 1 28 27 ASN . 25493 1 29 28 MET . 25493 1 30 29 VAL . 25493 1 31 30 ALA . 25493 1 32 31 VAL . 25493 1 33 32 LEU . 25493 1 34 33 GLU . 25493 1 35 34 VAL . 25493 1 36 35 ILE . 25493 1 37 36 SER . 25493 1 38 37 SER . 25493 1 39 38 LEU . 25493 1 40 39 GLU . 25493 1 41 40 LYS . 25493 1 42 41 TYR . 25493 1 43 42 PRO . 25493 1 44 43 ILE . 25493 1 45 44 THR . 25493 1 46 45 LYS . 25493 1 47 46 GLU . 25493 1 48 47 ALA . 25493 1 49 48 LEU . 25493 1 50 49 GLU . 25493 1 51 50 GLU . 25493 1 52 51 THR . 25493 1 53 52 ARG . 25493 1 54 53 LEU . 25493 1 55 54 GLY . 25493 1 56 55 LYS . 25493 1 57 56 LEU . 25493 1 58 57 ILE . 25493 1 59 58 ASN . 25493 1 60 59 ASP . 25493 1 61 60 VAL . 25493 1 62 61 ARG . 25493 1 63 62 LYS . 25493 1 64 63 LYS . 25493 1 65 64 THR . 25493 1 66 65 LYS . 25493 1 67 66 ASN . 25493 1 68 67 GLU . 25493 1 69 68 GLU . 25493 1 70 69 LEU . 25493 1 71 70 ALA . 25493 1 72 71 LYS . 25493 1 73 72 ARG . 25493 1 74 73 ALA . 25493 1 75 74 LYS . 25493 1 76 75 LYS . 25493 1 77 76 LEU . 25493 1 78 77 LEU . 25493 1 79 78 ARG . 25493 1 80 79 SER . 25493 1 81 80 TRP . 25493 1 82 81 GLN . 25493 1 83 82 LYS . 25493 1 84 83 LEU . 25493 1 85 84 ILE . 25493 1 86 85 GLU . 25493 1 87 86 PRO . 25493 1 88 87 ALA . 25493 1 89 88 HIS . 25493 1 90 89 GLN . 25493 1 91 90 HIS . 25493 1 92 91 GLU . 25493 1 93 92 ALA . 25493 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25493 1 . MET 2 2 25493 1 . THR 3 3 25493 1 . ALA 4 4 25493 1 . ALA 5 5 25493 1 . PRO 6 6 25493 1 . ALA 7 7 25493 1 . SER 8 8 25493 1 . PRO 9 9 25493 1 . GLN 10 10 25493 1 . GLN 11 11 25493 1 . ILE 12 12 25493 1 . ARG 13 13 25493 1 . ASP 14 14 25493 1 . ARG 15 15 25493 1 . LEU 16 16 25493 1 . LEU 17 17 25493 1 . GLN 18 18 25493 1 . ALA 19 19 25493 1 . ILE 20 20 25493 1 . ASP 21 21 25493 1 . PRO 22 22 25493 1 . GLN 23 23 25493 1 . SER 24 24 25493 1 . ASN 25 25 25493 1 . ILE 26 26 25493 1 . ARG 27 27 25493 1 . ASN 28 28 25493 1 . MET 29 29 25493 1 . VAL 30 30 25493 1 . ALA 31 31 25493 1 . VAL 32 32 25493 1 . LEU 33 33 25493 1 . GLU 34 34 25493 1 . VAL 35 35 25493 1 . ILE 36 36 25493 1 . SER 37 37 25493 1 . SER 38 38 25493 1 . LEU 39 39 25493 1 . GLU 40 40 25493 1 . LYS 41 41 25493 1 . TYR 42 42 25493 1 . PRO 43 43 25493 1 . ILE 44 44 25493 1 . THR 45 45 25493 1 . LYS 46 46 25493 1 . GLU 47 47 25493 1 . ALA 48 48 25493 1 . LEU 49 49 25493 1 . GLU 50 50 25493 1 . GLU 51 51 25493 1 . THR 52 52 25493 1 . ARG 53 53 25493 1 . LEU 54 54 25493 1 . GLY 55 55 25493 1 . LYS 56 56 25493 1 . LEU 57 57 25493 1 . ILE 58 58 25493 1 . ASN 59 59 25493 1 . ASP 60 60 25493 1 . VAL 61 61 25493 1 . ARG 62 62 25493 1 . LYS 63 63 25493 1 . LYS 64 64 25493 1 . THR 65 65 25493 1 . LYS 66 66 25493 1 . ASN 67 67 25493 1 . GLU 68 68 25493 1 . GLU 69 69 25493 1 . LEU 70 70 25493 1 . ALA 71 71 25493 1 . LYS 72 72 25493 1 . ARG 73 73 25493 1 . ALA 74 74 25493 1 . LYS 75 75 25493 1 . LYS 76 76 25493 1 . LEU 77 77 25493 1 . LEU 78 78 25493 1 . ARG 79 79 25493 1 . SER 80 80 25493 1 . TRP 81 81 25493 1 . GLN 82 82 25493 1 . LYS 83 83 25493 1 . LEU 84 84 25493 1 . ILE 85 85 25493 1 . GLU 86 86 25493 1 . PRO 87 87 25493 1 . ALA 88 88 25493 1 . HIS 89 89 25493 1 . GLN 90 90 25493 1 . HIS 91 91 25493 1 . GLU 92 92 25493 1 . ALA 93 93 25493 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 25493 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . MED26 . 25493 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 25493 _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' . . . Escherichia coli BL21(DE3) . . . . . pGex4T1-tev . . . 25493 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25493 _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 . . . 0.4 1.4 mM . . . . 25493 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 25493 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25493 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25493 1 5 EDTA 'natural abundance' . . . . . . 2.5 . . mM . . . . 25493 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25493 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25493 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25493 _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 . . . 0.4 1.4 mM . . . . 25493 2 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 25493 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25493 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25493 2 5 EDTA 'natural abundance' . . . . . . 2.5 . . mM . . . . 25493 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25493 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25493 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 25493 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 25493 1 pH 6.8 . pH 25493 1 pressure 1 . atm 25493 1 temperature 298 . K 25493 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25493 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25493 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25493 1 processing 25493 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25493 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25493 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25493 2 processing 25493 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 25493 _Software.ID 3 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 25493 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25493 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25493 _Software.ID 4 _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' . . 25493 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25493 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25493 _Software.ID 5 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25493 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25493 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 25493 _Software.ID 6 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 25493 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25493 6 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 25493 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25493 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25493 _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 . 900 . . . 25493 1 2 spectrometer_2 Bruker Avance . 600 . . . 25493 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 25493 _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 . . . . . . . . . . . . . . . . 25493 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25493 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25493 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25493 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25493 1 6 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25493 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25493 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25493 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25493 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25493 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25493 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 25493 _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 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . 25493 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25493 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 25493 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 25493 _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' . . . 25493 1 2 '2D 1H-13C HSQC aliphatic' . . . 25493 1 3 '3D HNCO' . . . 25493 1 4 '3D HN(CO)CA' . . . 25493 1 5 '3D HNCACB' . . . 25493 1 6 '3D HNHA' . . . 25493 1 7 '3D 1H-15N NOESY' . . . 25493 1 8 '3D 1H-15N TOCSY' . . . 25493 1 9 '3D 1H-13C NOESY aliphatic' . . . 25493 1 10 '2D 1H-13C HSQC aromatic' . . . 25493 1 11 '3D HBHA(CO)NH' . . . 25493 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 25493 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 THR C C 13 173.9 0.3 . 1 . . . . 2 THR C . 25493 1 2 . 1 1 3 3 THR CA C 13 61.9 0.3 . 1 . . . . 2 THR CA . 25493 1 3 . 1 1 3 3 THR CB C 13 69.9 0.3 . 1 . . . . 2 THR CB . 25493 1 4 . 1 1 4 4 ALA H H 1 8.36 0.02 . 1 . . . . 3 ALA H . 25493 1 5 . 1 1 4 4 ALA HA H 1 4.31 0.02 . 1 . . . . 3 ALA HA . 25493 1 6 . 1 1 4 4 ALA HB1 H 1 1.35 0.02 . 1 . . . . 3 ALA HB1 . 25493 1 7 . 1 1 4 4 ALA HB2 H 1 1.35 0.02 . 1 . . . . 3 ALA HB2 . 25493 1 8 . 1 1 4 4 ALA HB3 H 1 1.35 0.02 . 1 . . . . 3 ALA HB3 . 25493 1 9 . 1 1 4 4 ALA C C 13 176.8 0.3 . 1 . . . . 3 ALA C . 25493 1 10 . 1 1 4 4 ALA CA C 13 52.1 0.3 . 1 . . . . 3 ALA CA . 25493 1 11 . 1 1 4 4 ALA CB C 13 19.4 0.3 . 1 . . . . 3 ALA CB . 25493 1 12 . 1 1 4 4 ALA N N 15 127.2 0.3 . 1 . . . . 3 ALA N . 25493 1 13 . 1 1 5 5 ALA H H 1 8.27 0.02 . 1 . . . . 4 ALA H . 25493 1 14 . 1 1 5 5 ALA HA H 1 4.43 0.02 . 1 . . . . 4 ALA HA . 25493 1 15 . 1 1 5 5 ALA HB1 H 1 1.29 0.02 . 1 . . . . 4 ALA HB1 . 25493 1 16 . 1 1 5 5 ALA HB2 H 1 1.29 0.02 . 1 . . . . 4 ALA HB2 . 25493 1 17 . 1 1 5 5 ALA HB3 H 1 1.29 0.02 . 1 . . . . 4 ALA HB3 . 25493 1 18 . 1 1 5 5 ALA CA C 13 50.5 0.3 . 1 . . . . 4 ALA CA . 25493 1 19 . 1 1 5 5 ALA CB C 13 18.3 0.3 . 1 . . . . 4 ALA CB . 25493 1 20 . 1 1 5 5 ALA N N 15 125.1 0.3 . 1 . . . . 4 ALA N . 25493 1 21 . 1 1 6 6 PRO HA H 1 4.26 0.02 . 1 . . . . 5 PRO HA . 25493 1 22 . 1 1 6 6 PRO HB2 H 1 2.02 0.02 . 1 . . . . 5 PRO HB1 . 25493 1 23 . 1 1 6 6 PRO HB3 H 1 1.77 0.02 . 1 . . . . 5 PRO HB2 . 25493 1 24 . 1 1 6 6 PRO HD2 H 1 3.63 0.02 . 2 . . . . 5 PRO HD2 . 25493 1 25 . 1 1 6 6 PRO HD3 H 1 3.50 0.02 . 2 . . . . 5 PRO HD3 . 25493 1 26 . 1 1 6 6 PRO C C 13 176.3 0.3 . 1 . . . . 5 PRO C . 25493 1 27 . 1 1 6 6 PRO CA C 13 63.0 0.3 . 1 . . . . 5 PRO CA . 25493 1 28 . 1 1 6 6 PRO CB C 13 31.9 0.3 . 1 . . . . 5 PRO CB . 25493 1 29 . 1 1 6 6 PRO CG C 13 27.4 0.3 . 1 . . . . 5 PRO CG . 25493 1 30 . 1 1 6 6 PRO CD C 13 50.5 0.3 . 1 . . . . 5 PRO CD . 25493 1 31 . 1 1 7 7 ALA H H 1 8.04 0.02 . 1 . . . . 6 ALA H . 25493 1 32 . 1 1 7 7 ALA HA H 1 4.42 0.02 . 1 . . . . 6 ALA HA . 25493 1 33 . 1 1 7 7 ALA HB1 H 1 1.31 0.02 . 1 . . . . 6 ALA HB1 . 25493 1 34 . 1 1 7 7 ALA HB2 H 1 1.31 0.02 . 1 . . . . 6 ALA HB2 . 25493 1 35 . 1 1 7 7 ALA HB3 H 1 1.31 0.02 . 1 . . . . 6 ALA HB3 . 25493 1 36 . 1 1 7 7 ALA C C 13 176.7 0.3 . 1 . . . . 6 ALA C . 25493 1 37 . 1 1 7 7 ALA CA C 13 51.6 0.3 . 1 . . . . 6 ALA CA . 25493 1 38 . 1 1 7 7 ALA CB C 13 19.9 0.3 . 1 . . . . 6 ALA CB . 25493 1 39 . 1 1 7 7 ALA N N 15 123.7 0.3 . 1 . . . . 6 ALA N . 25493 1 40 . 1 1 8 8 SER H H 1 8.43 0.02 . 1 . . . . 7 SER H . 25493 1 41 . 1 1 8 8 SER HA H 1 4.75 0.02 . 1 . . . . 7 SER HA . 25493 1 42 . 1 1 8 8 SER HB2 H 1 4.43 0.02 . 2 . . . . 7 SER HB2 . 25493 1 43 . 1 1 8 8 SER HB3 H 1 3.94 0.02 . 2 . . . . 7 SER HB3 . 25493 1 44 . 1 1 8 8 SER CA C 13 56.0 0.3 . 1 . . . . 7 SER CA . 25493 1 45 . 1 1 8 8 SER CB C 13 63.3 0.3 . 1 . . . . 7 SER CB . 25493 1 46 . 1 1 8 8 SER N N 15 117.1 0.3 . 1 . . . . 7 SER N . 25493 1 47 . 1 1 9 9 PRO HA H 1 3.94 0.02 . 1 . . . . 8 PRO HA . 25493 1 48 . 1 1 9 9 PRO HB2 H 1 1.95 0.02 . 2 . . . . 8 PRO HB2 . 25493 1 49 . 1 1 9 9 PRO HB3 H 1 1.86 0.02 . 2 . . . . 8 PRO HB3 . 25493 1 50 . 1 1 9 9 PRO C C 13 177.4 0.3 . 1 . . . . 8 PRO C . 25493 1 51 . 1 1 9 9 PRO CA C 13 65.8 0.3 . 1 . . . . 8 PRO CA . 25493 1 52 . 1 1 9 9 PRO CB C 13 32.0 0.3 . 1 . . . . 8 PRO CB . 25493 1 53 . 1 1 9 9 PRO CG C 13 28.6 0.3 . 1 . . . . 8 PRO CG . 25493 1 54 . 1 1 10 10 GLN H H 1 8.35 0.02 . 1 . . . . 9 GLN H . 25493 1 55 . 1 1 10 10 GLN HA H 1 3.66 0.02 . 1 . . . . 9 GLN HA . 25493 1 56 . 1 1 10 10 GLN HB2 H 1 2.08 0.02 . 2 . . . . 9 GLN HB2 . 25493 1 57 . 1 1 10 10 GLN HB3 H 1 1.94 0.02 . 2 . . . . 9 GLN HB3 . 25493 1 58 . 1 1 10 10 GLN HG2 H 1 2.53 0.02 . 2 . . . . 9 GLN HG2 . 25493 1 59 . 1 1 10 10 GLN HG3 H 1 2.21 0.02 . 2 . . . . 9 GLN HG3 . 25493 1 60 . 1 1 10 10 GLN HE21 H 1 6.83 0.02 . 1 . . . . 9 GLN HE21 . 25493 1 61 . 1 1 10 10 GLN HE22 H 1 7.75 0.02 . 1 . . . . 9 GLN HE22 . 25493 1 62 . 1 1 10 10 GLN C C 13 177.5 0.3 . 1 . . . . 9 GLN C . 25493 1 63 . 1 1 10 10 GLN CA C 13 60.3 0.3 . 1 . . . . 9 GLN CA . 25493 1 64 . 1 1 10 10 GLN CB C 13 27.5 0.3 . 1 . . . . 9 GLN CB . 25493 1 65 . 1 1 10 10 GLN CG C 13 34.7 0.3 . 1 . . . . 9 GLN CG . 25493 1 66 . 1 1 10 10 GLN N N 15 116.0 0.3 . 1 . . . . 9 GLN N . 25493 1 67 . 1 1 10 10 GLN NE2 N 15 112.3 0.3 . 1 . . . . 9 GLN NE2 . 25493 1 68 . 1 1 11 11 GLN H H 1 7.68 0.02 . 1 . . . . 10 GLN H . 25493 1 69 . 1 1 11 11 GLN HA H 1 4.08 0.02 . 1 . . . . 10 GLN HA . 25493 1 70 . 1 1 11 11 GLN HB2 H 1 1.95 0.02 . 2 . . . . 10 GLN HB2 . 25493 1 71 . 1 1 11 11 GLN HB3 H 1 2.05 0.02 . 2 . . . . 10 GLN HB3 . 25493 1 72 . 1 1 11 11 GLN HG2 H 1 2.34 0.02 . 2 . . . . 10 GLN HG2 . 25493 1 73 . 1 1 11 11 GLN HG3 H 1 2.45 0.02 . 2 . . . . 10 GLN HG3 . 25493 1 74 . 1 1 11 11 GLN HE21 H 1 6.85 0.02 . 2 . . . . 10 GLN HE21 . 25493 1 75 . 1 1 11 11 GLN HE22 H 1 7.52 0.02 . 2 . . . . 10 GLN HE22 . 25493 1 76 . 1 1 11 11 GLN C C 13 179.6 0.3 . 1 . . . . 10 GLN C . 25493 1 77 . 1 1 11 11 GLN CA C 13 58.9 0.3 . 1 . . . . 10 GLN CA . 25493 1 78 . 1 1 11 11 GLN CB C 13 28.6 0.3 . 1 . . . . 10 GLN CB . 25493 1 79 . 1 1 11 11 GLN CG C 13 34.7 0.3 . 1 . . . . 10 GLN CG . 25493 1 80 . 1 1 11 11 GLN N N 15 119.2 0.3 . 1 . . . . 10 GLN N . 25493 1 81 . 1 1 11 11 GLN NE2 N 15 112.4 0.3 . 1 . . . . 10 GLN NE2 . 25493 1 82 . 1 1 12 12 ILE H H 1 8.19 0.02 . 1 . . . . 11 ILE H . 25493 1 83 . 1 1 12 12 ILE HA H 1 3.53 0.02 . 1 . . . . 11 ILE HA . 25493 1 84 . 1 1 12 12 ILE HB H 1 1.86 0.02 . 1 . . . . 11 ILE HB . 25493 1 85 . 1 1 12 12 ILE HG21 H 1 0.93 0.02 . 1 . . . . 11 ILE HG21 . 25493 1 86 . 1 1 12 12 ILE HG22 H 1 0.93 0.02 . 1 . . . . 11 ILE HG22 . 25493 1 87 . 1 1 12 12 ILE HG23 H 1 0.93 0.02 . 1 . . . . 11 ILE HG23 . 25493 1 88 . 1 1 12 12 ILE HD11 H 1 0.58 0.02 . 1 . . . . 11 ILE HD11 . 25493 1 89 . 1 1 12 12 ILE HD12 H 1 0.58 0.02 . 1 . . . . 11 ILE HD12 . 25493 1 90 . 1 1 12 12 ILE HD13 H 1 0.58 0.02 . 1 . . . . 11 ILE HD13 . 25493 1 91 . 1 1 12 12 ILE C C 13 177.2 0.3 . 1 . . . . 11 ILE C . 25493 1 92 . 1 1 12 12 ILE CA C 13 65.3 0.3 . 1 . . . . 11 ILE CA . 25493 1 93 . 1 1 12 12 ILE CB C 13 37.4 0.3 . 1 . . . . 11 ILE CB . 25493 1 94 . 1 1 12 12 ILE CG1 C 13 29.2 0.3 . 1 . . . . 11 ILE CG1 . 25493 1 95 . 1 1 12 12 ILE CG2 C 13 19.4 0.3 . 1 . . . . 11 ILE CG2 . 25493 1 96 . 1 1 12 12 ILE CD1 C 13 12.8 0.3 . 1 . . . . 11 ILE CD1 . 25493 1 97 . 1 1 12 12 ILE N N 15 121.3 0.3 . 1 . . . . 11 ILE N . 25493 1 98 . 1 1 13 13 ARG H H 1 8.32 0.02 . 1 . . . . 12 ARG H . 25493 1 99 . 1 1 13 13 ARG HA H 1 3.74 0.02 . 1 . . . . 12 ARG HA . 25493 1 100 . 1 1 13 13 ARG HB2 H 1 2.23 0.02 . 2 . . . . 12 ARG HB2 . 25493 1 101 . 1 1 13 13 ARG HB3 H 1 1.63 0.02 . 2 . . . . 12 ARG HB3 . 25493 1 102 . 1 1 13 13 ARG HD2 H 1 3.32 0.02 . 2 . . . . 12 ARG HD2 . 25493 1 103 . 1 1 13 13 ARG HD3 H 1 3.21 0.02 . 2 . . . . 12 ARG HD3 . 25493 1 104 . 1 1 13 13 ARG C C 13 177.7 0.3 . 1 . . . . 12 ARG C . 25493 1 105 . 1 1 13 13 ARG CA C 13 60.3 0.3 . 1 . . . . 12 ARG CA . 25493 1 106 . 1 1 13 13 ARG CB C 13 28.2 0.3 . 1 . . . . 12 ARG CB . 25493 1 107 . 1 1 13 13 ARG CG C 13 26.0 0.3 . 1 . . . . 12 ARG CG . 25493 1 108 . 1 1 13 13 ARG CD C 13 42.9 0.3 . 1 . . . . 12 ARG CD . 25493 1 109 . 1 1 13 13 ARG N N 15 120.2 0.3 . 1 . . . . 12 ARG N . 25493 1 110 . 1 1 14 14 ASP H H 1 8.28 0.02 . 1 . . . . 13 ASP H . 25493 1 111 . 1 1 14 14 ASP HA H 1 4.33 0.02 . 1 . . . . 13 ASP HA . 25493 1 112 . 1 1 14 14 ASP HB2 H 1 2.77 0.02 . 2 . . . . 13 ASP HB2 . 25493 1 113 . 1 1 14 14 ASP HB3 H 1 2.63 0.02 . 2 . . . . 13 ASP HB3 . 25493 1 114 . 1 1 14 14 ASP C C 13 178.8 0.3 . 1 . . . . 13 ASP C . 25493 1 115 . 1 1 14 14 ASP CA C 13 58.0 0.3 . 1 . . . . 13 ASP CA . 25493 1 116 . 1 1 14 14 ASP CB C 13 39.6 0.3 . 1 . . . . 13 ASP CB . 25493 1 117 . 1 1 14 14 ASP N N 15 119.2 0.3 . 1 . . . . 13 ASP N . 25493 1 118 . 1 1 15 15 ARG H H 1 7.98 0.02 . 1 . . . . 14 ARG H . 25493 1 119 . 1 1 15 15 ARG HA H 1 3.97 0.02 . 1 . . . . 14 ARG HA . 25493 1 120 . 1 1 15 15 ARG C C 13 179.3 0.3 . 1 . . . . 14 ARG C . 25493 1 121 . 1 1 15 15 ARG CA C 13 59.2 0.3 . 1 . . . . 14 ARG CA . 25493 1 122 . 1 1 15 15 ARG CB C 13 30.0 0.3 . 1 . . . . 14 ARG CB . 25493 1 123 . 1 1 15 15 ARG CG C 13 27.6 0.3 . 1 . . . . 14 ARG CG . 25493 1 124 . 1 1 15 15 ARG CD C 13 43.9 0.3 . 1 . . . . 14 ARG CD . 25493 1 125 . 1 1 15 15 ARG N N 15 120.4 0.3 . 1 . . . . 14 ARG N . 25493 1 126 . 1 1 16 16 LEU H H 1 8.21 0.02 . 1 . . . . 15 LEU H . 25493 1 127 . 1 1 16 16 LEU HA H 1 3.97 0.02 . 1 . . . . 15 LEU HA . 25493 1 128 . 1 1 16 16 LEU HB2 H 1 2.22 0.02 . 2 . . . . 15 LEU HB2 . 25493 1 129 . 1 1 16 16 LEU HB3 H 1 1.59 0.02 . 2 . . . . 15 LEU HB3 . 25493 1 130 . 1 1 16 16 LEU HD11 H 1 0.93 0.02 . 1 . . . . 15 LEU HD11 . 25493 1 131 . 1 1 16 16 LEU HD12 H 1 0.93 0.02 . 1 . . . . 15 LEU HD12 . 25493 1 132 . 1 1 16 16 LEU HD13 H 1 0.93 0.02 . 1 . . . . 15 LEU HD13 . 25493 1 133 . 1 1 16 16 LEU HD21 H 1 0.93 0.02 . 1 . . . . 15 LEU HD21 . 25493 1 134 . 1 1 16 16 LEU HD22 H 1 0.93 0.02 . 1 . . . . 15 LEU HD22 . 25493 1 135 . 1 1 16 16 LEU HD23 H 1 0.93 0.02 . 1 . . . . 15 LEU HD23 . 25493 1 136 . 1 1 16 16 LEU C C 13 178.5 0.3 . 1 . . . . 15 LEU C . 25493 1 137 . 1 1 16 16 LEU CA C 13 58.1 0.3 . 1 . . . . 15 LEU CA . 25493 1 138 . 1 1 16 16 LEU CB C 13 41.2 0.3 . 1 . . . . 15 LEU CB . 25493 1 139 . 1 1 16 16 LEU CG C 13 27.3 0.3 . 1 . . . . 15 LEU CG . 25493 1 140 . 1 1 16 16 LEU CD1 C 13 27.3 0.3 . 1 . . . . 15 LEU CD1 . 25493 1 141 . 1 1 16 16 LEU CD2 C 13 23.7 0.3 . 1 . . . . 15 LEU CD2 . 25493 1 142 . 1 1 16 16 LEU N N 15 120.5 0.3 . 1 . . . . 15 LEU N . 25493 1 143 . 1 1 17 17 LEU H H 1 8.31 0.02 . 1 . . . . 16 LEU H . 25493 1 144 . 1 1 17 17 LEU HA H 1 4.00 0.02 . 1 . . . . 16 LEU HA . 25493 1 145 . 1 1 17 17 LEU HB2 H 1 1.93 0.02 . 2 . . . . 16 LEU HB2 . 25493 1 146 . 1 1 17 17 LEU HB3 H 1 1.50 0.02 . 2 . . . . 16 LEU HB3 . 25493 1 147 . 1 1 17 17 LEU HG H 1 1.60 0.02 . 1 . . . . 16 LEU HG . 25493 1 148 . 1 1 17 17 LEU HD11 H 1 0.89 0.02 . 1 . . . . 16 LEU HD11 . 25493 1 149 . 1 1 17 17 LEU HD12 H 1 0.89 0.02 . 1 . . . . 16 LEU HD12 . 25493 1 150 . 1 1 17 17 LEU HD13 H 1 0.89 0.02 . 1 . . . . 16 LEU HD13 . 25493 1 151 . 1 1 17 17 LEU HD21 H 1 0.89 0.02 . 1 . . . . 16 LEU HD21 . 25493 1 152 . 1 1 17 17 LEU HD22 H 1 0.89 0.02 . 1 . . . . 16 LEU HD22 . 25493 1 153 . 1 1 17 17 LEU HD23 H 1 0.89 0.02 . 1 . . . . 16 LEU HD23 . 25493 1 154 . 1 1 17 17 LEU C C 13 179.4 0.3 . 1 . . . . 16 LEU C . 25493 1 155 . 1 1 17 17 LEU CA C 13 57.6 0.3 . 1 . . . . 16 LEU CA . 25493 1 156 . 1 1 17 17 LEU CB C 13 41.7 0.3 . 1 . . . . 16 LEU CB . 25493 1 157 . 1 1 17 17 LEU CG C 13 27.0 0.3 . 1 . . . . 16 LEU CG . 25493 1 158 . 1 1 17 17 LEU CD1 C 13 25.9 0.3 . 1 . . . . 16 LEU CD1 . 25493 1 159 . 1 1 17 17 LEU CD2 C 13 23.0 0.3 . 1 . . . . 16 LEU CD2 . 25493 1 160 . 1 1 17 17 LEU N N 15 116.1 0.3 . 1 . . . . 16 LEU N . 25493 1 161 . 1 1 18 18 GLN H H 1 7.46 0.02 . 1 . . . . 17 GLN H . 25493 1 162 . 1 1 18 18 GLN HA H 1 4.24 0.02 . 1 . . . . 17 GLN HA . 25493 1 163 . 1 1 18 18 GLN HB2 H 1 2.21 0.02 . 2 . . . . 17 GLN HB2 . 25493 1 164 . 1 1 18 18 GLN HB3 H 1 2.12 0.02 . 2 . . . . 17 GLN HB3 . 25493 1 165 . 1 1 18 18 GLN HG2 H 1 2.59 0.02 . 2 . . . . 17 GLN HG2 . 25493 1 166 . 1 1 18 18 GLN HG3 H 1 2.48 0.02 . 2 . . . . 17 GLN HG3 . 25493 1 167 . 1 1 18 18 GLN HE21 H 1 6.83 0.02 . 1 . . . . 17 GLN HE21 . 25493 1 168 . 1 1 18 18 GLN HE22 H 1 7.48 0.02 . 1 . . . . 17 GLN HE22 . 25493 1 169 . 1 1 18 18 GLN C C 13 176.7 0.3 . 1 . . . . 17 GLN C . 25493 1 170 . 1 1 18 18 GLN CA C 13 57.0 0.3 . 1 . . . . 17 GLN CA . 25493 1 171 . 1 1 18 18 GLN CB C 13 28.8 0.3 . 1 . . . . 17 GLN CB . 25493 1 172 . 1 1 18 18 GLN CG C 13 34.1 0.3 . 1 . . . . 17 GLN CG . 25493 1 173 . 1 1 18 18 GLN N N 15 114.3 0.3 . 1 . . . . 17 GLN N . 25493 1 174 . 1 1 18 18 GLN NE2 N 15 112.0 0.3 . 1 . . . . 17 GLN NE2 . 25493 1 175 . 1 1 19 19 ALA H H 1 7.77 0.02 . 1 . . . . 18 ALA H . 25493 1 176 . 1 1 19 19 ALA HA H 1 4.49 0.02 . 1 . . . . 18 ALA HA . 25493 1 177 . 1 1 19 19 ALA HB1 H 1 1.72 0.02 . 1 . . . . 18 ALA HB1 . 25493 1 178 . 1 1 19 19 ALA HB2 H 1 1.72 0.02 . 1 . . . . 18 ALA HB2 . 25493 1 179 . 1 1 19 19 ALA HB3 H 1 1.72 0.02 . 1 . . . . 18 ALA HB3 . 25493 1 180 . 1 1 19 19 ALA C C 13 176.0 0.3 . 1 . . . . 18 ALA C . 25493 1 181 . 1 1 19 19 ALA CA C 13 52.6 0.3 . 1 . . . . 18 ALA CA . 25493 1 182 . 1 1 19 19 ALA CB C 13 22.1 0.3 . 1 . . . . 18 ALA CB . 25493 1 183 . 1 1 19 19 ALA N N 15 120.8 0.3 . 1 . . . . 18 ALA N . 25493 1 184 . 1 1 20 20 ILE H H 1 7.36 0.02 . 1 . . . . 19 ILE H . 25493 1 185 . 1 1 20 20 ILE HA H 1 5.20 0.02 . 1 . . . . 19 ILE HA . 25493 1 186 . 1 1 20 20 ILE HB H 1 1.77 0.02 . 1 . . . . 19 ILE HB . 25493 1 187 . 1 1 20 20 ILE HG21 H 1 0.79 0.02 . 1 . . . . 19 ILE HG21 . 25493 1 188 . 1 1 20 20 ILE HG22 H 1 0.79 0.02 . 1 . . . . 19 ILE HG22 . 25493 1 189 . 1 1 20 20 ILE HG23 H 1 0.79 0.02 . 1 . . . . 19 ILE HG23 . 25493 1 190 . 1 1 20 20 ILE HD11 H 1 0.70 0.02 . 1 . . . . 19 ILE HD11 . 25493 1 191 . 1 1 20 20 ILE HD12 H 1 0.70 0.02 . 1 . . . . 19 ILE HD12 . 25493 1 192 . 1 1 20 20 ILE HD13 H 1 0.70 0.02 . 1 . . . . 19 ILE HD13 . 25493 1 193 . 1 1 20 20 ILE C C 13 173.6 0.3 . 1 . . . . 19 ILE C . 25493 1 194 . 1 1 20 20 ILE CA C 13 59.2 0.3 . 1 . . . . 19 ILE CA . 25493 1 195 . 1 1 20 20 ILE CB C 13 41.8 0.3 . 1 . . . . 19 ILE CB . 25493 1 196 . 1 1 20 20 ILE CG1 C 13 23.8 0.3 . 1 . . . . 19 ILE CG1 . 25493 1 197 . 1 1 20 20 ILE CG2 C 13 17.2 0.3 . 1 . . . . 19 ILE CG2 . 25493 1 198 . 1 1 20 20 ILE CD1 C 13 14.0 0.3 . 1 . . . . 19 ILE CD1 . 25493 1 199 . 1 1 20 20 ILE N N 15 113.5 0.3 . 1 . . . . 19 ILE N . 25493 1 200 . 1 1 21 21 ASP H H 1 8.53 0.02 . 1 . . . . 20 ASP H . 25493 1 201 . 1 1 21 21 ASP HA H 1 4.98 0.02 . 1 . . . . 20 ASP HA . 25493 1 202 . 1 1 21 21 ASP HB2 H 1 3.43 0.02 . 2 . . . . 20 ASP HB2 . 25493 1 203 . 1 1 21 21 ASP HB3 H 1 2.45 0.02 . 2 . . . . 20 ASP HB3 . 25493 1 204 . 1 1 21 21 ASP CA C 13 52.1 0.3 . 1 . . . . 20 ASP CA . 25493 1 205 . 1 1 21 21 ASP CB C 13 41.2 0.3 . 1 . . . . 20 ASP CB . 25493 1 206 . 1 1 21 21 ASP N N 15 122.5 0.3 . 1 . . . . 20 ASP N . 25493 1 207 . 1 1 22 22 PRO HA H 1 4.45 0.02 . 1 . . . . 21 PRO HA . 25493 1 208 . 1 1 22 22 PRO HB2 H 1 2.47 0.02 . 2 . . . . 21 PRO HB2 . 25493 1 209 . 1 1 22 22 PRO HB3 H 1 1.82 0.02 . 2 . . . . 21 PRO HB3 . 25493 1 210 . 1 1 22 22 PRO HG2 H 1 2.11 0.02 . 2 . . . . 21 PRO HG2 . 25493 1 211 . 1 1 22 22 PRO HG3 H 1 1.97 0.02 . 2 . . . . 21 PRO HG3 . 25493 1 212 . 1 1 22 22 PRO HD2 H 1 3.93 0.02 . 2 . . . . 21 PRO HD2 . 25493 1 213 . 1 1 22 22 PRO HD3 H 1 3.60 0.02 . 2 . . . . 21 PRO HD3 . 25493 1 214 . 1 1 22 22 PRO C C 13 177.5 0.3 . 1 . . . . 21 PRO C . 25493 1 215 . 1 1 22 22 PRO CA C 13 65.2 0.3 . 1 . . . . 21 PRO CA . 25493 1 216 . 1 1 22 22 PRO CB C 13 31.9 0.3 . 1 . . . . 21 PRO CB . 25493 1 217 . 1 1 22 22 PRO CG C 13 28.1 0.3 . 1 . . . . 21 PRO CG . 25493 1 218 . 1 1 22 22 PRO CD C 13 52.0 0.3 . 1 . . . . 21 PRO CD . 25493 1 219 . 1 1 23 23 GLN H H 1 7.95 0.02 . 1 . . . . 22 GLN H . 25493 1 220 . 1 1 23 23 GLN HA H 1 4.42 0.02 . 1 . . . . 22 GLN HA . 25493 1 221 . 1 1 23 23 GLN HB2 H 1 2.25 0.02 . 2 . . . . 22 GLN HB2 . 25493 1 222 . 1 1 23 23 GLN HB3 H 1 1.93 0.02 . 2 . . . . 22 GLN HB3 . 25493 1 223 . 1 1 23 23 GLN HE21 H 1 6.89 0.02 . 1 . . . . 22 GLN HE21 . 25493 1 224 . 1 1 23 23 GLN HE22 H 1 7.56 0.02 . 1 . . . . 22 GLN HE22 . 25493 1 225 . 1 1 23 23 GLN C C 13 174.8 0.3 . 1 . . . . 22 GLN C . 25493 1 226 . 1 1 23 23 GLN CA C 13 55.4 0.3 . 1 . . . . 22 GLN CA . 25493 1 227 . 1 1 23 23 GLN CB C 13 28.7 0.3 . 1 . . . . 22 GLN CB . 25493 1 228 . 1 1 23 23 GLN N N 15 115.9 0.3 . 1 . . . . 22 GLN N . 25493 1 229 . 1 1 23 23 GLN NE2 N 15 112.0 0.3 . 1 . . . . 22 GLN NE2 . 25493 1 230 . 1 1 24 24 SER H H 1 8.27 0.02 . 1 . . . . 23 SER H . 25493 1 231 . 1 1 24 24 SER HA H 1 3.73 0.02 . 1 . . . . 23 SER HA . 25493 1 232 . 1 1 24 24 SER HB2 H 1 4.15 0.02 . 2 . . . . 23 SER HB2 . 25493 1 233 . 1 1 24 24 SER HB3 H 1 3.85 0.02 . 2 . . . . 23 SER HB3 . 25493 1 234 . 1 1 24 24 SER C C 13 173.2 0.3 . 1 . . . . 23 SER C . 25493 1 235 . 1 1 24 24 SER CA C 13 60.3 0.3 . 1 . . . . 23 SER CA . 25493 1 236 . 1 1 24 24 SER CB C 13 59.8 0.3 . 1 . . . . 23 SER CB . 25493 1 237 . 1 1 24 24 SER N N 15 107.9 0.3 . 1 . . . . 23 SER N . 25493 1 238 . 1 1 25 25 ASN H H 1 8.50 0.02 . 1 . . . . 24 ASN H . 25493 1 239 . 1 1 25 25 ASN HA H 1 4.53 0.02 . 1 . . . . 24 ASN HA . 25493 1 240 . 1 1 25 25 ASN HB2 H 1 2.80 0.02 . 2 . . . . 24 ASN HB2 . 25493 1 241 . 1 1 25 25 ASN HB3 H 1 2.47 0.02 . 2 . . . . 24 ASN HB3 . 25493 1 242 . 1 1 25 25 ASN HD21 H 1 7.16 0.02 . 1 . . . . 24 ASN HD21 . 25493 1 243 . 1 1 25 25 ASN HD22 H 1 8.63 0.02 . 1 . . . . 24 ASN HD22 . 25493 1 244 . 1 1 25 25 ASN C C 13 175.6 0.3 . 1 . . . . 24 ASN C . 25493 1 245 . 1 1 25 25 ASN CA C 13 52.8 0.3 . 1 . . . . 24 ASN CA . 25493 1 246 . 1 1 25 25 ASN CB C 13 38.5 0.3 . 1 . . . . 24 ASN CB . 25493 1 247 . 1 1 25 25 ASN N N 15 117.0 0.3 . 1 . . . . 24 ASN N . 25493 1 248 . 1 1 25 25 ASN ND2 N 15 119.2 0.3 . 1 . . . . 24 ASN ND2 . 25493 1 249 . 1 1 26 26 ILE H H 1 8.89 0.02 . 1 . . . . 25 ILE H . 25493 1 250 . 1 1 26 26 ILE HA H 1 3.82 0.02 . 1 . . . . 25 ILE HA . 25493 1 251 . 1 1 26 26 ILE HB H 1 1.81 0.02 . 1 . . . . 25 ILE HB . 25493 1 252 . 1 1 26 26 ILE HG12 H 1 0.99 0.02 . 2 . . . . 25 ILE HG12 . 25493 1 253 . 1 1 26 26 ILE HG13 H 1 0.99 0.02 . 2 . . . . 25 ILE HG13 . 25493 1 254 . 1 1 26 26 ILE HG21 H 1 0.90 0.02 . 1 . . . . 25 ILE HG21 . 25493 1 255 . 1 1 26 26 ILE HG22 H 1 0.90 0.02 . 1 . . . . 25 ILE HG22 . 25493 1 256 . 1 1 26 26 ILE HG23 H 1 0.90 0.02 . 1 . . . . 25 ILE HG23 . 25493 1 257 . 1 1 26 26 ILE HD11 H 1 0.90 0.02 . 1 . . . . 25 ILE HD11 . 25493 1 258 . 1 1 26 26 ILE HD12 H 1 0.90 0.02 . 1 . . . . 25 ILE HD12 . 25493 1 259 . 1 1 26 26 ILE HD13 H 1 0.90 0.02 . 1 . . . . 25 ILE HD13 . 25493 1 260 . 1 1 26 26 ILE C C 13 176.4 0.3 . 1 . . . . 25 ILE C . 25493 1 261 . 1 1 26 26 ILE CA C 13 63.6 0.3 . 1 . . . . 25 ILE CA . 25493 1 262 . 1 1 26 26 ILE CB C 13 38.6 0.3 . 1 . . . . 25 ILE CB . 25493 1 263 . 1 1 26 26 ILE CG1 C 13 28.6 0.3 . 1 . . . . 25 ILE CG1 . 25493 1 264 . 1 1 26 26 ILE CG2 C 13 17.7 0.3 . 1 . . . . 25 ILE CG2 . 25493 1 265 . 1 1 26 26 ILE CD1 C 13 14.6 0.3 . 1 . . . . 25 ILE CD1 . 25493 1 266 . 1 1 26 26 ILE N N 15 122.4 0.3 . 1 . . . . 25 ILE N . 25493 1 267 . 1 1 27 27 ARG H H 1 9.07 0.02 . 1 . . . . 26 ARG H . 25493 1 268 . 1 1 27 27 ARG HA H 1 4.53 0.02 . 1 . . . . 26 ARG HA . 25493 1 269 . 1 1 27 27 ARG HB2 H 1 1.82 0.02 . 2 . . . . 26 ARG HB2 . 25493 1 270 . 1 1 27 27 ARG HB3 H 1 1.53 0.02 . 2 . . . . 26 ARG HB3 . 25493 1 271 . 1 1 27 27 ARG C C 13 176.0 0.3 . 1 . . . . 26 ARG C . 25493 1 272 . 1 1 27 27 ARG CA C 13 56.5 0.3 . 1 . . . . 26 ARG CA . 25493 1 273 . 1 1 27 27 ARG CB C 13 31.4 0.3 . 1 . . . . 26 ARG CB . 25493 1 274 . 1 1 27 27 ARG CD C 13 43.4 0.3 . 1 . . . . 26 ARG CD . 25493 1 275 . 1 1 27 27 ARG N N 15 127.6 0.3 . 1 . . . . 26 ARG N . 25493 1 276 . 1 1 28 28 ASN H H 1 7.51 0.02 . 1 . . . . 27 ASN H . 25493 1 277 . 1 1 28 28 ASN HA H 1 4.93 0.02 . 1 . . . . 27 ASN HA . 25493 1 278 . 1 1 28 28 ASN HB2 H 1 3.02 0.02 . 2 . . . . 27 ASN HB2 . 25493 1 279 . 1 1 28 28 ASN HB3 H 1 2.77 0.02 . 2 . . . . 27 ASN HB3 . 25493 1 280 . 1 1 28 28 ASN HD21 H 1 6.84 0.02 . 1 . . . . 27 ASN HD21 . 25493 1 281 . 1 1 28 28 ASN HD22 H 1 7.60 0.02 . 1 . . . . 27 ASN HD22 . 25493 1 282 . 1 1 28 28 ASN C C 13 174.3 0.3 . 1 . . . . 27 ASN C . 25493 1 283 . 1 1 28 28 ASN CA C 13 51.6 0.3 . 1 . . . . 27 ASN CA . 25493 1 284 . 1 1 28 28 ASN CB C 13 39.0 0.3 . 1 . . . . 27 ASN CB . 25493 1 285 . 1 1 28 28 ASN N N 15 117.3 0.3 . 1 . . . . 27 ASN N . 25493 1 286 . 1 1 28 28 ASN ND2 N 15 111.9 0.3 . 1 . . . . 27 ASN ND2 . 25493 1 287 . 1 1 29 29 MET H H 1 8.94 0.02 . 1 . . . . 28 MET H . 25493 1 288 . 1 1 29 29 MET HA H 1 4.19 0.02 . 1 . . . . 28 MET HA . 25493 1 289 . 1 1 29 29 MET HG2 H 1 2.72 0.02 . 2 . . . . 28 MET HG2 . 25493 1 290 . 1 1 29 29 MET HG3 H 1 2.50 0.02 . 2 . . . . 28 MET HG3 . 25493 1 291 . 1 1 29 29 MET C C 13 177.3 0.3 . 1 . . . . 28 MET C . 25493 1 292 . 1 1 29 29 MET CA C 13 57.6 0.3 . 1 . . . . 28 MET CA . 25493 1 293 . 1 1 29 29 MET CB C 13 31.4 0.3 . 1 . . . . 28 MET CB . 25493 1 294 . 1 1 29 29 MET CG C 13 31.9 0.3 . 1 . . . . 28 MET CG . 25493 1 295 . 1 1 29 29 MET N N 15 125.7 0.3 . 1 . . . . 28 MET N . 25493 1 296 . 1 1 30 30 VAL H H 1 7.91 0.02 . 1 . . . . 29 VAL H . 25493 1 297 . 1 1 30 30 VAL HA H 1 3.52 0.02 . 1 . . . . 29 VAL HA . 25493 1 298 . 1 1 30 30 VAL HB H 1 2.13 0.02 . 1 . . . . 29 VAL HB . 25493 1 299 . 1 1 30 30 VAL HG11 H 1 1.06 0.02 . 1 . . . . 29 VAL HG11 . 25493 1 300 . 1 1 30 30 VAL HG12 H 1 1.06 0.02 . 1 . . . . 29 VAL HG12 . 25493 1 301 . 1 1 30 30 VAL HG13 H 1 1.06 0.02 . 1 . . . . 29 VAL HG13 . 25493 1 302 . 1 1 30 30 VAL HG21 H 1 0.91 0.02 . 1 . . . . 29 VAL HG21 . 25493 1 303 . 1 1 30 30 VAL HG22 H 1 0.91 0.02 . 1 . . . . 29 VAL HG22 . 25493 1 304 . 1 1 30 30 VAL HG23 H 1 0.91 0.02 . 1 . . . . 29 VAL HG23 . 25493 1 305 . 1 1 30 30 VAL C C 13 178.8 0.3 . 1 . . . . 29 VAL C . 25493 1 306 . 1 1 30 30 VAL CA C 13 66.9 0.3 . 1 . . . . 29 VAL CA . 25493 1 307 . 1 1 30 30 VAL CB C 13 31.5 0.3 . 1 . . . . 29 VAL CB . 25493 1 308 . 1 1 30 30 VAL CG1 C 13 22.7 0.3 . 1 . . . . 29 VAL CG1 . 25493 1 309 . 1 1 30 30 VAL CG2 C 13 21.0 0.3 . 1 . . . . 29 VAL CG2 . 25493 1 310 . 1 1 30 30 VAL N N 15 118.6 0.3 . 1 . . . . 29 VAL N . 25493 1 311 . 1 1 31 31 ALA H H 1 7.27 0.02 . 1 . . . . 30 ALA H . 25493 1 312 . 1 1 31 31 ALA HA H 1 4.13 0.02 . 1 . . . . 30 ALA HA . 25493 1 313 . 1 1 31 31 ALA HB1 H 1 1.39 0.02 . 1 . . . . 30 ALA HB1 . 25493 1 314 . 1 1 31 31 ALA HB2 H 1 1.39 0.02 . 1 . . . . 30 ALA HB2 . 25493 1 315 . 1 1 31 31 ALA HB3 H 1 1.39 0.02 . 1 . . . . 30 ALA HB3 . 25493 1 316 . 1 1 31 31 ALA C C 13 180.3 0.3 . 1 . . . . 30 ALA C . 25493 1 317 . 1 1 31 31 ALA CA C 13 54.3 0.3 . 1 . . . . 30 ALA CA . 25493 1 318 . 1 1 31 31 ALA CB C 13 18.9 0.3 . 1 . . . . 30 ALA CB . 25493 1 319 . 1 1 31 31 ALA N N 15 120.6 0.3 . 1 . . . . 30 ALA N . 25493 1 320 . 1 1 32 32 VAL H H 1 7.64 0.02 . 1 . . . . 31 VAL H . 25493 1 321 . 1 1 32 32 VAL HA H 1 3.38 0.02 . 1 . . . . 31 VAL HA . 25493 1 322 . 1 1 32 32 VAL HB H 1 2.22 0.02 . 1 . . . . 31 VAL HB . 25493 1 323 . 1 1 32 32 VAL HG11 H 1 1.06 0.02 . 1 . . . . 31 VAL HG11 . 25493 1 324 . 1 1 32 32 VAL HG12 H 1 1.06 0.02 . 1 . . . . 31 VAL HG12 . 25493 1 325 . 1 1 32 32 VAL HG13 H 1 1.06 0.02 . 1 . . . . 31 VAL HG13 . 25493 1 326 . 1 1 32 32 VAL HG21 H 1 0.84 0.02 . 1 . . . . 31 VAL HG21 . 25493 1 327 . 1 1 32 32 VAL HG22 H 1 0.84 0.02 . 1 . . . . 31 VAL HG22 . 25493 1 328 . 1 1 32 32 VAL HG23 H 1 0.84 0.02 . 1 . . . . 31 VAL HG23 . 25493 1 329 . 1 1 32 32 VAL C C 13 177.7 0.3 . 1 . . . . 31 VAL C . 25493 1 330 . 1 1 32 32 VAL CA C 13 67.7 0.3 . 1 . . . . 31 VAL CA . 25493 1 331 . 1 1 32 32 VAL CB C 13 30.9 0.3 . 1 . . . . 31 VAL CB . 25493 1 332 . 1 1 32 32 VAL CG1 C 13 25.4 0.3 . 1 . . . . 31 VAL CG1 . 25493 1 333 . 1 1 32 32 VAL CG2 C 13 22.1 0.3 . 1 . . . . 31 VAL CG2 . 25493 1 334 . 1 1 32 32 VAL N N 15 117.9 0.3 . 1 . . . . 31 VAL N . 25493 1 335 . 1 1 33 33 LEU H H 1 8.45 0.02 . 1 . . . . 32 LEU H . 25493 1 336 . 1 1 33 33 LEU HA H 1 3.91 0.02 . 1 . . . . 32 LEU HA . 25493 1 337 . 1 1 33 33 LEU HB2 H 1 1.93 0.02 . 2 . . . . 32 LEU HB2 . 25493 1 338 . 1 1 33 33 LEU HB3 H 1 1.47 0.02 . 2 . . . . 32 LEU HB3 . 25493 1 339 . 1 1 33 33 LEU HG H 1 1.21 0.02 . 1 . . . . 32 LEU HG . 25493 1 340 . 1 1 33 33 LEU HD11 H 1 0.85 0.02 . 1 . . . . 32 LEU HD11 . 25493 1 341 . 1 1 33 33 LEU HD12 H 1 0.85 0.02 . 1 . . . . 32 LEU HD12 . 25493 1 342 . 1 1 33 33 LEU HD13 H 1 0.85 0.02 . 1 . . . . 32 LEU HD13 . 25493 1 343 . 1 1 33 33 LEU HD21 H 1 0.77 0.02 . 1 . . . . 32 LEU HD21 . 25493 1 344 . 1 1 33 33 LEU HD22 H 1 0.77 0.02 . 1 . . . . 32 LEU HD22 . 25493 1 345 . 1 1 33 33 LEU HD23 H 1 0.77 0.02 . 1 . . . . 32 LEU HD23 . 25493 1 346 . 1 1 33 33 LEU C C 13 179.9 0.3 . 1 . . . . 32 LEU C . 25493 1 347 . 1 1 33 33 LEU CA C 13 58.3 0.3 . 1 . . . . 32 LEU CA . 25493 1 348 . 1 1 33 33 LEU CB C 13 40.7 0.3 . 1 . . . . 32 LEU CB . 25493 1 349 . 1 1 33 33 LEU CG C 13 27.0 0.3 . 1 . . . . 32 LEU CG . 25493 1 350 . 1 1 33 33 LEU CD1 C 13 25.5 0.3 . 1 . . . . 32 LEU CD1 . 25493 1 351 . 1 1 33 33 LEU CD2 C 13 23.2 0.3 . 1 . . . . 32 LEU CD2 . 25493 1 352 . 1 1 33 33 LEU N N 15 119.9 0.3 . 1 . . . . 32 LEU N . 25493 1 353 . 1 1 34 34 GLU H H 1 8.08 0.02 . 1 . . . . 33 GLU H . 25493 1 354 . 1 1 34 34 GLU HA H 1 4.06 0.02 . 1 . . . . 33 GLU HA . 25493 1 355 . 1 1 34 34 GLU HB2 H 1 2.20 0.02 . 2 . . . . 33 GLU HB2 . 25493 1 356 . 1 1 34 34 GLU HB3 H 1 2.11 0.02 . 2 . . . . 33 GLU HB3 . 25493 1 357 . 1 1 34 34 GLU C C 13 179.8 0.3 . 1 . . . . 33 GLU C . 25493 1 358 . 1 1 34 34 GLU CA C 13 59.8 0.3 . 1 . . . . 33 GLU CA . 25493 1 359 . 1 1 34 34 GLU CB C 13 29.3 0.3 . 1 . . . . 33 GLU CB . 25493 1 360 . 1 1 34 34 GLU CG C 13 36.9 0.3 . 1 . . . . 33 GLU CG . 25493 1 361 . 1 1 34 34 GLU N N 15 121.2 0.3 . 1 . . . . 33 GLU N . 25493 1 362 . 1 1 35 35 VAL H H 1 8.06 0.02 . 1 . . . . 34 VAL H . 25493 1 363 . 1 1 35 35 VAL HA H 1 3.60 0.02 . 1 . . . . 34 VAL HA . 25493 1 364 . 1 1 35 35 VAL HB H 1 2.51 0.02 . 1 . . . . 34 VAL HB . 25493 1 365 . 1 1 35 35 VAL HG11 H 1 1.04 0.02 . 1 . . . . 34 VAL HG11 . 25493 1 366 . 1 1 35 35 VAL HG12 H 1 1.04 0.02 . 1 . . . . 34 VAL HG12 . 25493 1 367 . 1 1 35 35 VAL HG13 H 1 1.04 0.02 . 1 . . . . 34 VAL HG13 . 25493 1 368 . 1 1 35 35 VAL HG21 H 1 0.91 0.02 . 1 . . . . 34 VAL HG21 . 25493 1 369 . 1 1 35 35 VAL HG22 H 1 0.91 0.02 . 1 . . . . 34 VAL HG22 . 25493 1 370 . 1 1 35 35 VAL HG23 H 1 0.91 0.02 . 1 . . . . 34 VAL HG23 . 25493 1 371 . 1 1 35 35 VAL C C 13 177.9 0.3 . 1 . . . . 34 VAL C . 25493 1 372 . 1 1 35 35 VAL CA C 13 67.1 0.3 . 1 . . . . 34 VAL CA . 25493 1 373 . 1 1 35 35 VAL CB C 13 30.9 0.3 . 1 . . . . 34 VAL CB . 25493 1 374 . 1 1 35 35 VAL CG1 C 13 23.2 0.3 . 1 . . . . 34 VAL CG1 . 25493 1 375 . 1 1 35 35 VAL CG2 C 13 21.6 0.3 . 1 . . . . 34 VAL CG2 . 25493 1 376 . 1 1 35 35 VAL N N 15 122.4 0.3 . 1 . . . . 34 VAL N . 25493 1 377 . 1 1 36 36 ILE H H 1 8.42 0.02 . 1 . . . . 35 ILE H . 25493 1 378 . 1 1 36 36 ILE HA H 1 3.56 0.02 . 1 . . . . 35 ILE HA . 25493 1 379 . 1 1 36 36 ILE HB H 1 1.98 0.02 . 1 . . . . 35 ILE HB . 25493 1 380 . 1 1 36 36 ILE HG12 H 1 1.46 0.02 . 2 . . . . 35 ILE HG12 . 25493 1 381 . 1 1 36 36 ILE HG13 H 1 1.38 0.02 . 2 . . . . 35 ILE HG13 . 25493 1 382 . 1 1 36 36 ILE HG21 H 1 0.71 0.02 . 1 . . . . 35 ILE HG21 . 25493 1 383 . 1 1 36 36 ILE HG22 H 1 0.71 0.02 . 1 . . . . 35 ILE HG22 . 25493 1 384 . 1 1 36 36 ILE HG23 H 1 0.71 0.02 . 1 . . . . 35 ILE HG23 . 25493 1 385 . 1 1 36 36 ILE HD11 H 1 0.60 0.02 . 1 . . . . 35 ILE HD11 . 25493 1 386 . 1 1 36 36 ILE HD12 H 1 0.60 0.02 . 1 . . . . 35 ILE HD12 . 25493 1 387 . 1 1 36 36 ILE HD13 H 1 0.60 0.02 . 1 . . . . 35 ILE HD13 . 25493 1 388 . 1 1 36 36 ILE C C 13 177.5 0.3 . 1 . . . . 35 ILE C . 25493 1 389 . 1 1 36 36 ILE CA C 13 64.2 0.3 . 1 . . . . 35 ILE CA . 25493 1 390 . 1 1 36 36 ILE CB C 13 36.3 0.3 . 1 . . . . 35 ILE CB . 25493 1 391 . 1 1 36 36 ILE CG1 C 13 28.7 0.3 . 1 . . . . 35 ILE CG1 . 25493 1 392 . 1 1 36 36 ILE CG2 C 13 17.2 0.3 . 1 . . . . 35 ILE CG2 . 25493 1 393 . 1 1 36 36 ILE CD1 C 13 10.6 0.3 . 1 . . . . 35 ILE CD1 . 25493 1 394 . 1 1 36 36 ILE N N 15 119.8 0.3 . 1 . . . . 35 ILE N . 25493 1 395 . 1 1 37 37 SER H H 1 8.43 0.02 . 1 . . . . 36 SER H . 25493 1 396 . 1 1 37 37 SER HA H 1 4.29 0.02 . 1 . . . . 36 SER HA . 25493 1 397 . 1 1 37 37 SER HB2 H 1 4.06 0.02 . 2 . . . . 36 SER HB2 . 25493 1 398 . 1 1 37 37 SER HB3 H 1 3.90 0.02 . 2 . . . . 36 SER HB3 . 25493 1 399 . 1 1 37 37 SER C C 13 177.3 0.3 . 1 . . . . 36 SER C . 25493 1 400 . 1 1 37 37 SER CA C 13 61.9 0.3 . 1 . . . . 36 SER CA . 25493 1 401 . 1 1 37 37 SER CB C 13 63.1 0.3 . 1 . . . . 36 SER CB . 25493 1 402 . 1 1 37 37 SER N N 15 114.7 0.3 . 1 . . . . 36 SER N . 25493 1 403 . 1 1 38 38 SER H H 1 8.20 0.02 . 1 . . . . 37 SER H . 25493 1 404 . 1 1 38 38 SER HA H 1 4.29 0.02 . 1 . . . . 37 SER HA . 25493 1 405 . 1 1 38 38 SER HB2 H 1 4.13 0.02 . 2 . . . . 37 SER HB2 . 25493 1 406 . 1 1 38 38 SER HB3 H 1 3.99 0.02 . 2 . . . . 37 SER HB3 . 25493 1 407 . 1 1 38 38 SER C C 13 176.7 0.3 . 1 . . . . 37 SER C . 25493 1 408 . 1 1 38 38 SER CA C 13 62.5 0.3 . 1 . . . . 37 SER CA . 25493 1 409 . 1 1 38 38 SER CB C 13 63.1 0.3 . 1 . . . . 37 SER CB . 25493 1 410 . 1 1 38 38 SER N N 15 117.2 0.3 . 1 . . . . 37 SER N . 25493 1 411 . 1 1 39 39 LEU H H 1 8.15 0.02 . 1 . . . . 38 LEU H . 25493 1 412 . 1 1 39 39 LEU HA H 1 4.37 0.02 . 1 . . . . 38 LEU HA . 25493 1 413 . 1 1 39 39 LEU HB2 H 1 2.13 0.02 . 2 . . . . 38 LEU HB2 . 25493 1 414 . 1 1 39 39 LEU HB3 H 1 1.72 0.02 . 2 . . . . 38 LEU HB3 . 25493 1 415 . 1 1 39 39 LEU HD11 H 1 1.03 0.02 . 1 . . . . 38 LEU HD11 . 25493 1 416 . 1 1 39 39 LEU HD12 H 1 1.03 0.02 . 1 . . . . 38 LEU HD12 . 25493 1 417 . 1 1 39 39 LEU HD13 H 1 1.03 0.02 . 1 . . . . 38 LEU HD13 . 25493 1 418 . 1 1 39 39 LEU HD21 H 1 1.03 0.02 . 1 . . . . 38 LEU HD21 . 25493 1 419 . 1 1 39 39 LEU HD22 H 1 1.03 0.02 . 1 . . . . 38 LEU HD22 . 25493 1 420 . 1 1 39 39 LEU HD23 H 1 1.03 0.02 . 1 . . . . 38 LEU HD23 . 25493 1 421 . 1 1 39 39 LEU C C 13 178.7 0.3 . 1 . . . . 38 LEU C . 25493 1 422 . 1 1 39 39 LEU CA C 13 57.1 0.3 . 1 . . . . 38 LEU CA . 25493 1 423 . 1 1 39 39 LEU CB C 13 42.8 0.3 . 1 . . . . 38 LEU CB . 25493 1 424 . 1 1 39 39 LEU CG C 13 27.1 0.3 . 1 . . . . 38 LEU CG . 25493 1 425 . 1 1 39 39 LEU CD1 C 13 19.0 0.3 . 1 . . . . 38 LEU CD1 . 25493 1 426 . 1 1 39 39 LEU CD2 C 13 22.9 0.3 . 1 . . . . 38 LEU CD2 . 25493 1 427 . 1 1 39 39 LEU N N 15 121.6 0.3 . 1 . . . . 38 LEU N . 25493 1 428 . 1 1 40 40 GLU H H 1 8.19 0.02 . 1 . . . . 39 GLU H . 25493 1 429 . 1 1 40 40 GLU HA H 1 3.90 0.02 . 1 . . . . 39 GLU HA . 25493 1 430 . 1 1 40 40 GLU HB2 H 1 2.38 0.02 . 2 . . . . 39 GLU HB2 . 25493 1 431 . 1 1 40 40 GLU HB3 H 1 1.88 0.02 . 2 . . . . 39 GLU HB3 . 25493 1 432 . 1 1 40 40 GLU HG2 H 1 2.61 0.02 . 2 . . . . 39 GLU HG2 . 25493 1 433 . 1 1 40 40 GLU HG3 H 1 2.18 0.02 . 2 . . . . 39 GLU HG3 . 25493 1 434 . 1 1 40 40 GLU C C 13 178.1 0.3 . 1 . . . . 39 GLU C . 25493 1 435 . 1 1 40 40 GLU CA C 13 58.7 0.3 . 1 . . . . 39 GLU CA . 25493 1 436 . 1 1 40 40 GLU CB C 13 30.3 0.3 . 1 . . . . 39 GLU CB . 25493 1 437 . 1 1 40 40 GLU CG C 13 36.9 0.3 . 1 . . . . 39 GLU CG . 25493 1 438 . 1 1 40 40 GLU N N 15 118.6 0.3 . 1 . . . . 39 GLU N . 25493 1 439 . 1 1 41 41 LYS H H 1 7.44 0.02 . 1 . . . . 40 LYS H . 25493 1 440 . 1 1 41 41 LYS HA H 1 4.23 0.02 . 1 . . . . 40 LYS HA . 25493 1 441 . 1 1 41 41 LYS HG2 H 1 1.36 0.02 . 2 . . . . 40 LYS HG2 . 25493 1 442 . 1 1 41 41 LYS HG3 H 1 1.15 0.02 . 2 . . . . 40 LYS HG3 . 25493 1 443 . 1 1 41 41 LYS C C 13 175.8 0.3 . 1 . . . . 40 LYS C . 25493 1 444 . 1 1 41 41 LYS CA C 13 56.6 0.3 . 1 . . . . 40 LYS CA . 25493 1 445 . 1 1 41 41 LYS CB C 13 33.6 0.3 . 1 . . . . 40 LYS CB . 25493 1 446 . 1 1 41 41 LYS CG C 13 24.9 0.3 . 1 . . . . 40 LYS CG . 25493 1 447 . 1 1 41 41 LYS CD C 13 29.2 0.3 . 1 . . . . 40 LYS CD . 25493 1 448 . 1 1 41 41 LYS CE C 13 41.9 0.3 . 1 . . . . 40 LYS CE . 25493 1 449 . 1 1 41 41 LYS N N 15 116.3 0.3 . 1 . . . . 40 LYS N . 25493 1 450 . 1 1 42 42 TYR H H 1 7.73 0.02 . 1 . . . . 41 TYR H . 25493 1 451 . 1 1 42 42 TYR HA H 1 4.86 0.02 . 1 . . . . 41 TYR HA . 25493 1 452 . 1 1 42 42 TYR HB2 H 1 3.20 0.02 . 2 . . . . 41 TYR HB2 . 25493 1 453 . 1 1 42 42 TYR HB3 H 1 3.06 0.02 . 2 . . . . 41 TYR HB3 . 25493 1 454 . 1 1 42 42 TYR HD1 H 1 7.17 0.02 . 3 . . . . 41 TYR HD1 . 25493 1 455 . 1 1 42 42 TYR HD2 H 1 7.17 0.02 . 3 . . . . 41 TYR HD2 . 25493 1 456 . 1 1 42 42 TYR HE1 H 1 6.84 0.02 . 3 . . . . 41 TYR HE1 . 25493 1 457 . 1 1 42 42 TYR HE2 H 1 6.84 0.02 . 3 . . . . 41 TYR HE2 . 25493 1 458 . 1 1 42 42 TYR CA C 13 55.4 0.3 . 1 . . . . 41 TYR CA . 25493 1 459 . 1 1 42 42 TYR CB C 13 39.6 0.3 . 1 . . . . 41 TYR CB . 25493 1 460 . 1 1 42 42 TYR CD2 C 13 133.4 0.3 . 1 . . . . 41 TYR CD2 . 25493 1 461 . 1 1 42 42 TYR CE2 C 13 117.9 0.3 . 1 . . . . 41 TYR CE2 . 25493 1 462 . 1 1 42 42 TYR N N 15 121.4 0.3 . 1 . . . . 41 TYR N . 25493 1 463 . 1 1 43 43 PRO HA H 1 4.76 0.02 . 1 . . . . 42 PRO HA . 25493 1 464 . 1 1 43 43 PRO HB2 H 1 2.11 0.02 . 2 . . . . 42 PRO HB2 . 25493 1 465 . 1 1 43 43 PRO HB3 H 1 2.01 0.02 . 2 . . . . 42 PRO HB3 . 25493 1 466 . 1 1 43 43 PRO HG2 H 1 1.91 0.02 . 2 . . . . 42 PRO HG2 . 25493 1 467 . 1 1 43 43 PRO HG3 H 1 1.85 0.02 . 2 . . . . 42 PRO HG3 . 25493 1 468 . 1 1 43 43 PRO HD2 H 1 3.59 0.02 . 2 . . . . 42 PRO HD2 . 25493 1 469 . 1 1 43 43 PRO HD3 H 1 3.06 0.02 . 2 . . . . 42 PRO HD3 . 25493 1 470 . 1 1 43 43 PRO C C 13 175.8 0.3 . 1 . . . . 42 PRO C . 25493 1 471 . 1 1 43 43 PRO CA C 13 62.5 0.3 . 1 . . . . 42 PRO CA . 25493 1 472 . 1 1 43 43 PRO CB C 13 30.3 0.3 . 1 . . . . 42 PRO CB . 25493 1 473 . 1 1 43 43 PRO CG C 13 27.6 0.3 . 1 . . . . 42 PRO CG . 25493 1 474 . 1 1 43 43 PRO CD C 13 50.6 0.3 . 1 . . . . 42 PRO CD . 25493 1 475 . 1 1 44 44 ILE H H 1 8.20 0.02 . 1 . . . . 43 ILE H . 25493 1 476 . 1 1 44 44 ILE HA H 1 4.47 0.02 . 1 . . . . 43 ILE HA . 25493 1 477 . 1 1 44 44 ILE HB H 1 1.73 0.02 . 1 . . . . 43 ILE HB . 25493 1 478 . 1 1 44 44 ILE HG12 H 1 1.45 0.02 . 2 . . . . 43 ILE HG12 . 25493 1 479 . 1 1 44 44 ILE HG13 H 1 1.32 0.02 . 2 . . . . 43 ILE HG13 . 25493 1 480 . 1 1 44 44 ILE HG21 H 1 0.60 0.02 . 1 . . . . 43 ILE HG21 . 25493 1 481 . 1 1 44 44 ILE HG22 H 1 0.60 0.02 . 1 . . . . 43 ILE HG22 . 25493 1 482 . 1 1 44 44 ILE HG23 H 1 0.60 0.02 . 1 . . . . 43 ILE HG23 . 25493 1 483 . 1 1 44 44 ILE HD11 H 1 0.45 0.02 . 1 . . . . 43 ILE HD11 . 25493 1 484 . 1 1 44 44 ILE HD12 H 1 0.45 0.02 . 1 . . . . 43 ILE HD12 . 25493 1 485 . 1 1 44 44 ILE HD13 H 1 0.45 0.02 . 1 . . . . 43 ILE HD13 . 25493 1 486 . 1 1 44 44 ILE C C 13 174.3 0.3 . 1 . . . . 43 ILE C . 25493 1 487 . 1 1 44 44 ILE CA C 13 60.3 0.3 . 1 . . . . 43 ILE CA . 25493 1 488 . 1 1 44 44 ILE CB C 13 40.7 0.3 . 1 . . . . 43 ILE CB . 25493 1 489 . 1 1 44 44 ILE CG1 C 13 28.7 0.3 . 1 . . . . 43 ILE CG1 . 25493 1 490 . 1 1 44 44 ILE CG2 C 13 16.6 0.3 . 1 . . . . 43 ILE CG2 . 25493 1 491 . 1 1 44 44 ILE CD1 C 13 13.9 0.3 . 1 . . . . 43 ILE CD1 . 25493 1 492 . 1 1 44 44 ILE N N 15 124.0 0.3 . 1 . . . . 43 ILE N . 25493 1 493 . 1 1 45 45 THR H H 1 7.33 0.02 . 1 . . . . 44 THR H . 25493 1 494 . 1 1 45 45 THR HA H 1 4.50 0.02 . 1 . . . . 44 THR HA . 25493 1 495 . 1 1 45 45 THR HB H 1 4.77 0.02 . 1 . . . . 44 THR HB . 25493 1 496 . 1 1 45 45 THR HG21 H 1 1.36 0.02 . 1 . . . . 44 THR HG21 . 25493 1 497 . 1 1 45 45 THR HG22 H 1 1.36 0.02 . 1 . . . . 44 THR HG22 . 25493 1 498 . 1 1 45 45 THR HG23 H 1 1.36 0.02 . 1 . . . . 44 THR HG23 . 25493 1 499 . 1 1 45 45 THR C C 13 175.1 0.3 . 1 . . . . 44 THR C . 25493 1 500 . 1 1 45 45 THR CA C 13 59.8 0.3 . 1 . . . . 44 THR CA . 25493 1 501 . 1 1 45 45 THR CB C 13 72.3 0.3 . 1 . . . . 44 THR CB . 25493 1 502 . 1 1 45 45 THR CG2 C 13 22.1 0.3 . 1 . . . . 44 THR CG2 . 25493 1 503 . 1 1 45 45 THR N N 15 112.2 0.3 . 1 . . . . 44 THR N . 25493 1 504 . 1 1 46 46 LYS H H 1 9.09 0.02 . 1 . . . . 45 LYS H . 25493 1 505 . 1 1 46 46 LYS HA H 1 3.74 0.02 . 1 . . . . 45 LYS HA . 25493 1 506 . 1 1 46 46 LYS HB2 H 1 1.89 0.02 . 2 . . . . 45 LYS HB2 . 25493 1 507 . 1 1 46 46 LYS HB3 H 1 1.73 0.02 . 2 . . . . 45 LYS HB3 . 25493 1 508 . 1 1 46 46 LYS C C 13 178.2 0.3 . 1 . . . . 45 LYS C . 25493 1 509 . 1 1 46 46 LYS CA C 13 60.0 0.3 . 1 . . . . 45 LYS CA . 25493 1 510 . 1 1 46 46 LYS CB C 13 32.5 0.3 . 1 . . . . 45 LYS CB . 25493 1 511 . 1 1 46 46 LYS CG C 13 23.2 0.3 . 1 . . . . 45 LYS CG . 25493 1 512 . 1 1 46 46 LYS N N 15 121.5 0.3 . 1 . . . . 45 LYS N . 25493 1 513 . 1 1 47 47 GLU H H 1 9.01 0.02 . 1 . . . . 46 GLU H . 25493 1 514 . 1 1 47 47 GLU HA H 1 4.02 0.02 . 1 . . . . 46 GLU HA . 25493 1 515 . 1 1 47 47 GLU HB2 H 1 2.06 0.02 . 2 . . . . 46 GLU HB2 . 25493 1 516 . 1 1 47 47 GLU HB3 H 1 1.92 0.02 . 2 . . . . 46 GLU HB3 . 25493 1 517 . 1 1 47 47 GLU HG2 H 1 2.48 0.02 . 2 . . . . 46 GLU HG2 . 25493 1 518 . 1 1 47 47 GLU HG3 H 1 2.25 0.02 . 2 . . . . 46 GLU HG3 . 25493 1 519 . 1 1 47 47 GLU C C 13 179.0 0.3 . 1 . . . . 46 GLU C . 25493 1 520 . 1 1 47 47 GLU CA C 13 60.8 0.3 . 1 . . . . 46 GLU CA . 25493 1 521 . 1 1 47 47 GLU CB C 13 28.7 0.3 . 1 . . . . 46 GLU CB . 25493 1 522 . 1 1 47 47 GLU CG C 13 37.3 0.3 . 1 . . . . 46 GLU CG . 25493 1 523 . 1 1 47 47 GLU N N 15 118.4 0.3 . 1 . . . . 46 GLU N . 25493 1 524 . 1 1 48 48 ALA H H 1 7.86 0.02 . 1 . . . . 47 ALA H . 25493 1 525 . 1 1 48 48 ALA HA H 1 4.27 0.02 . 1 . . . . 47 ALA HA . 25493 1 526 . 1 1 48 48 ALA HB1 H 1 1.42 0.02 . 1 . . . . 47 ALA HB1 . 25493 1 527 . 1 1 48 48 ALA HB2 H 1 1.42 0.02 . 1 . . . . 47 ALA HB2 . 25493 1 528 . 1 1 48 48 ALA HB3 H 1 1.42 0.02 . 1 . . . . 47 ALA HB3 . 25493 1 529 . 1 1 48 48 ALA C C 13 181.9 0.3 . 1 . . . . 47 ALA C . 25493 1 530 . 1 1 48 48 ALA CA C 13 54.9 0.3 . 1 . . . . 47 ALA CA . 25493 1 531 . 1 1 48 48 ALA CB C 13 18.8 0.3 . 1 . . . . 47 ALA CB . 25493 1 532 . 1 1 48 48 ALA N N 15 122.3 0.3 . 1 . . . . 47 ALA N . 25493 1 533 . 1 1 49 49 LEU H H 1 8.26 0.02 . 1 . . . . 48 LEU H . 25493 1 534 . 1 1 49 49 LEU HA H 1 3.58 0.02 . 1 . . . . 48 LEU HA . 25493 1 535 . 1 1 49 49 LEU HB2 H 1 1.58 0.02 . 2 . . . . 48 LEU HB2 . 25493 1 536 . 1 1 49 49 LEU HB3 H 1 1.40 0.02 . 2 . . . . 48 LEU HB3 . 25493 1 537 . 1 1 49 49 LEU HG H 1 1.13 0.02 . 1 . . . . 48 LEU HG . 25493 1 538 . 1 1 49 49 LEU HD11 H 1 0.06 0.02 . 1 . . . . 48 LEU HD11 . 25493 1 539 . 1 1 49 49 LEU HD12 H 1 0.06 0.02 . 1 . . . . 48 LEU HD12 . 25493 1 540 . 1 1 49 49 LEU HD13 H 1 0.06 0.02 . 1 . . . . 48 LEU HD13 . 25493 1 541 . 1 1 49 49 LEU HD21 H 1 -0.10 0.02 . 1 . . . . 48 LEU HD21 . 25493 1 542 . 1 1 49 49 LEU HD22 H 1 -0.10 0.02 . 1 . . . . 48 LEU HD22 . 25493 1 543 . 1 1 49 49 LEU HD23 H 1 -0.10 0.02 . 1 . . . . 48 LEU HD23 . 25493 1 544 . 1 1 49 49 LEU C C 13 179.8 0.3 . 1 . . . . 48 LEU C . 25493 1 545 . 1 1 49 49 LEU CA C 13 58.7 0.3 . 1 . . . . 48 LEU CA . 25493 1 546 . 1 1 49 49 LEU CB C 13 41.3 0.3 . 1 . . . . 48 LEU CB . 25493 1 547 . 1 1 49 49 LEU CG C 13 26.5 0.3 . 1 . . . . 48 LEU CG . 25493 1 548 . 1 1 49 49 LEU CD1 C 13 24.4 0.3 . 1 . . . . 48 LEU CD1 . 25493 1 549 . 1 1 49 49 LEU CD2 C 13 23.7 0.3 . 2 . . . . 48 LEU CD2 . 25493 1 550 . 1 1 49 49 LEU N N 15 122.2 0.3 . 1 . . . . 48 LEU N . 25493 1 551 . 1 1 50 50 GLU H H 1 8.12 0.02 . 1 . . . . 49 GLU H . 25493 1 552 . 1 1 50 50 GLU HA H 1 4.04 0.02 . 1 . . . . 49 GLU HA . 25493 1 553 . 1 1 50 50 GLU C C 13 178.9 0.3 . 1 . . . . 49 GLU C . 25493 1 554 . 1 1 50 50 GLU CA C 13 59.2 0.3 . 1 . . . . 49 GLU CA . 25493 1 555 . 1 1 50 50 GLU CB C 13 29.2 0.3 . 1 . . . . 49 GLU CB . 25493 1 556 . 1 1 50 50 GLU CG C 13 36.3 0.3 . 1 . . . . 49 GLU CG . 25493 1 557 . 1 1 50 50 GLU N N 15 120.4 0.3 . 1 . . . . 49 GLU N . 25493 1 558 . 1 1 51 51 GLU H H 1 8.20 0.02 . 1 . . . . 50 GLU H . 25493 1 559 . 1 1 51 51 GLU HA H 1 4.05 0.02 . 1 . . . . 50 GLU HA . 25493 1 560 . 1 1 51 51 GLU HB2 H 1 2.17 0.02 . 2 . . . . 50 GLU HB2 . 25493 1 561 . 1 1 51 51 GLU HB3 H 1 2.00 0.02 . 2 . . . . 50 GLU HB3 . 25493 1 562 . 1 1 51 51 GLU C C 13 178.8 0.3 . 1 . . . . 50 GLU C . 25493 1 563 . 1 1 51 51 GLU CA C 13 59.2 0.3 . 1 . . . . 50 GLU CA . 25493 1 564 . 1 1 51 51 GLU CB C 13 30.3 0.3 . 1 . . . . 50 GLU CB . 25493 1 565 . 1 1 51 51 GLU CG C 13 36.3 0.3 . 1 . . . . 50 GLU CG . 25493 1 566 . 1 1 51 51 GLU N N 15 118.5 0.3 . 1 . . . . 50 GLU N . 25493 1 567 . 1 1 52 52 THR H H 1 7.84 0.02 . 1 . . . . 51 THR H . 25493 1 568 . 1 1 52 52 THR HA H 1 4.09 0.02 . 1 . . . . 51 THR HA . 25493 1 569 . 1 1 52 52 THR HB H 1 3.95 0.02 . 1 . . . . 51 THR HB . 25493 1 570 . 1 1 52 52 THR HG21 H 1 1.16 0.02 . 1 . . . . 51 THR HG21 . 25493 1 571 . 1 1 52 52 THR HG22 H 1 1.16 0.02 . 1 . . . . 51 THR HG22 . 25493 1 572 . 1 1 52 52 THR HG23 H 1 1.16 0.02 . 1 . . . . 51 THR HG23 . 25493 1 573 . 1 1 52 52 THR C C 13 175.4 0.3 . 1 . . . . 51 THR C . 25493 1 574 . 1 1 52 52 THR CA C 13 63.1 0.3 . 1 . . . . 51 THR CA . 25493 1 575 . 1 1 52 52 THR CB C 13 71.8 0.3 . 1 . . . . 51 THR CB . 25493 1 576 . 1 1 52 52 THR CG2 C 13 21.6 0.3 . 1 . . . . 51 THR CG2 . 25493 1 577 . 1 1 52 52 THR N N 15 104.7 0.3 . 1 . . . . 51 THR N . 25493 1 578 . 1 1 53 53 ARG H H 1 7.68 0.02 . 1 . . . . 52 ARG H . 25493 1 579 . 1 1 53 53 ARG HA H 1 4.11 0.02 . 1 . . . . 52 ARG HA . 25493 1 580 . 1 1 53 53 ARG HB2 H 1 2.10 0.02 . 2 . . . . 52 ARG HB2 . 25493 1 581 . 1 1 53 53 ARG HB3 H 1 1.61 0.02 . 2 . . . . 52 ARG HB3 . 25493 1 582 . 1 1 53 53 ARG C C 13 177.2 0.3 . 1 . . . . 52 ARG C . 25493 1 583 . 1 1 53 53 ARG CA C 13 57.3 0.3 . 1 . . . . 52 ARG CA . 25493 1 584 . 1 1 53 53 ARG CB C 13 27.5 0.3 . 1 . . . . 52 ARG CB . 25493 1 585 . 1 1 53 53 ARG CD C 13 43.4 0.3 . 1 . . . . 52 ARG CD . 25493 1 586 . 1 1 53 53 ARG N N 15 114.4 0.3 . 1 . . . . 52 ARG N . 25493 1 587 . 1 1 54 54 LEU H H 1 7.46 0.02 . 1 . . . . 53 LEU H . 25493 1 588 . 1 1 54 54 LEU HA H 1 3.81 0.02 . 1 . . . . 53 LEU HA . 25493 1 589 . 1 1 54 54 LEU HB2 H 1 1.39 0.02 . 2 . . . . 53 LEU HB2 . 25493 1 590 . 1 1 54 54 LEU HB3 H 1 1.26 0.02 . 2 . . . . 53 LEU HB3 . 25493 1 591 . 1 1 54 54 LEU HD11 H 1 0.85 0.02 . 1 . . . . 53 LEU HD11 . 25493 1 592 . 1 1 54 54 LEU HD12 H 1 0.85 0.02 . 1 . . . . 53 LEU HD12 . 25493 1 593 . 1 1 54 54 LEU HD13 H 1 0.85 0.02 . 1 . . . . 53 LEU HD13 . 25493 1 594 . 1 1 54 54 LEU HD21 H 1 0.85 0.02 . 1 . . . . 53 LEU HD21 . 25493 1 595 . 1 1 54 54 LEU HD22 H 1 0.85 0.02 . 1 . . . . 53 LEU HD22 . 25493 1 596 . 1 1 54 54 LEU HD23 H 1 0.85 0.02 . 1 . . . . 53 LEU HD23 . 25493 1 597 . 1 1 54 54 LEU C C 13 178.2 0.3 . 1 . . . . 53 LEU C . 25493 1 598 . 1 1 54 54 LEU CA C 13 58.7 0.3 . 1 . . . . 53 LEU CA . 25493 1 599 . 1 1 54 54 LEU CB C 13 43.4 0.3 . 1 . . . . 53 LEU CB . 25493 1 600 . 1 1 54 54 LEU CG C 13 29.6 0.3 . 1 . . . . 53 LEU CG . 25493 1 601 . 1 1 54 54 LEU CD1 C 13 24.3 0.3 . 1 . . . . 53 LEU CD1 . 25493 1 602 . 1 1 54 54 LEU CD2 C 13 25.2 0.3 . 1 . . . . 53 LEU CD2 . 25493 1 603 . 1 1 54 54 LEU N N 15 117.2 0.3 . 1 . . . . 53 LEU N . 25493 1 604 . 1 1 55 55 GLY H H 1 8.65 0.02 . 1 . . . . 54 GLY H . 25493 1 605 . 1 1 55 55 GLY HA2 H 1 3.78 0.02 . 2 . . . . 54 GLY HA2 . 25493 1 606 . 1 1 55 55 GLY HA3 H 1 3.89 0.02 . 2 . . . . 54 GLY HA3 . 25493 1 607 . 1 1 55 55 GLY C C 13 175.5 0.3 . 1 . . . . 54 GLY C . 25493 1 608 . 1 1 55 55 GLY CA C 13 47.2 0.3 . 1 . . . . 54 GLY CA . 25493 1 609 . 1 1 55 55 GLY N N 15 105.9 0.3 . 1 . . . . 54 GLY N . 25493 1 610 . 1 1 56 56 LYS H H 1 7.21 0.02 . 1 . . . . 55 LYS H . 25493 1 611 . 1 1 56 56 LYS HA H 1 4.13 0.02 . 1 . . . . 55 LYS HA . 25493 1 612 . 1 1 56 56 LYS HG2 H 1 1.50 0.02 . 2 . . . . 55 LYS HG2 . 25493 1 613 . 1 1 56 56 LYS HG3 H 1 1.43 0.02 . 2 . . . . 55 LYS HG3 . 25493 1 614 . 1 1 56 56 LYS C C 13 178.3 0.3 . 1 . . . . 55 LYS C . 25493 1 615 . 1 1 56 56 LYS CA C 13 59.2 0.3 . 1 . . . . 55 LYS CA . 25493 1 616 . 1 1 56 56 LYS CB C 13 32.5 0.3 . 1 . . . . 55 LYS CB . 25493 1 617 . 1 1 56 56 LYS CG C 13 25.3 0.3 . 1 . . . . 55 LYS CG . 25493 1 618 . 1 1 56 56 LYS CD C 13 29.2 0.3 . 1 . . . . 55 LYS CD . 25493 1 619 . 1 1 56 56 LYS CE C 13 41.8 0.3 . 1 . . . . 55 LYS CE . 25493 1 620 . 1 1 56 56 LYS N N 15 123.3 0.3 . 1 . . . . 55 LYS N . 25493 1 621 . 1 1 57 57 LEU H H 1 7.90 0.02 . 1 . . . . 56 LEU H . 25493 1 622 . 1 1 57 57 LEU HA H 1 4.18 0.02 . 1 . . . . 56 LEU HA . 25493 1 623 . 1 1 57 57 LEU HB2 H 1 1.83 0.02 . 2 . . . . 56 LEU HB2 . 25493 1 624 . 1 1 57 57 LEU HB3 H 1 1.41 0.02 . 2 . . . . 56 LEU HB3 . 25493 1 625 . 1 1 57 57 LEU HG H 1 1.61 0.02 . 1 . . . . 56 LEU HG . 25493 1 626 . 1 1 57 57 LEU HD11 H 1 0.91 0.02 . 1 . . . . 56 LEU HD11 . 25493 1 627 . 1 1 57 57 LEU HD12 H 1 0.91 0.02 . 1 . . . . 56 LEU HD12 . 25493 1 628 . 1 1 57 57 LEU HD13 H 1 0.91 0.02 . 1 . . . . 56 LEU HD13 . 25493 1 629 . 1 1 57 57 LEU HD21 H 1 0.91 0.02 . 1 . . . . 56 LEU HD21 . 25493 1 630 . 1 1 57 57 LEU HD22 H 1 0.91 0.02 . 1 . . . . 56 LEU HD22 . 25493 1 631 . 1 1 57 57 LEU HD23 H 1 0.91 0.02 . 1 . . . . 56 LEU HD23 . 25493 1 632 . 1 1 57 57 LEU C C 13 179.6 0.3 . 1 . . . . 56 LEU C . 25493 1 633 . 1 1 57 57 LEU CA C 13 57.7 0.3 . 1 . . . . 56 LEU CA . 25493 1 634 . 1 1 57 57 LEU CB C 13 43.4 0.3 . 1 . . . . 56 LEU CB . 25493 1 635 . 1 1 57 57 LEU CG C 13 26.5 0.3 . 1 . . . . 56 LEU CG . 25493 1 636 . 1 1 57 57 LEU CD1 C 13 25.9 0.3 . 1 . . . . 56 LEU CD1 . 25493 1 637 . 1 1 57 57 LEU CD2 C 13 23.8 0.3 . 1 . . . . 56 LEU CD2 . 25493 1 638 . 1 1 57 57 LEU N N 15 117.7 0.3 . 1 . . . . 56 LEU N . 25493 1 639 . 1 1 58 58 ILE H H 1 8.64 0.02 . 1 . . . . 57 ILE H . 25493 1 640 . 1 1 58 58 ILE HA H 1 3.70 0.02 . 1 . . . . 57 ILE HA . 25493 1 641 . 1 1 58 58 ILE HB H 1 2.31 0.02 . 1 . . . . 57 ILE HB . 25493 1 642 . 1 1 58 58 ILE HG12 H 1 1.64 0.02 . 2 . . . . 57 ILE HG12 . 25493 1 643 . 1 1 58 58 ILE HG13 H 1 1.57 0.02 . 2 . . . . 57 ILE HG13 . 25493 1 644 . 1 1 58 58 ILE HG21 H 1 0.76 0.02 . 1 . . . . 57 ILE HG21 . 25493 1 645 . 1 1 58 58 ILE HG22 H 1 0.76 0.02 . 1 . . . . 57 ILE HG22 . 25493 1 646 . 1 1 58 58 ILE HG23 H 1 0.76 0.02 . 1 . . . . 57 ILE HG23 . 25493 1 647 . 1 1 58 58 ILE HD11 H 1 0.68 0.02 . 1 . . . . 57 ILE HD11 . 25493 1 648 . 1 1 58 58 ILE HD12 H 1 0.68 0.02 . 1 . . . . 57 ILE HD12 . 25493 1 649 . 1 1 58 58 ILE HD13 H 1 0.68 0.02 . 1 . . . . 57 ILE HD13 . 25493 1 650 . 1 1 58 58 ILE C C 13 177.9 0.3 . 1 . . . . 57 ILE C . 25493 1 651 . 1 1 58 58 ILE CA C 13 63.1 0.3 . 1 . . . . 57 ILE CA . 25493 1 652 . 1 1 58 58 ILE CB C 13 35.8 0.3 . 1 . . . . 57 ILE CB . 25493 1 653 . 1 1 58 58 ILE CG1 C 13 29.2 0.3 . 1 . . . . 57 ILE CG1 . 25493 1 654 . 1 1 58 58 ILE CG2 C 13 17.7 0.3 . 1 . . . . 57 ILE CG2 . 25493 1 655 . 1 1 58 58 ILE CD1 C 13 10.7 0.3 . 1 . . . . 57 ILE CD1 . 25493 1 656 . 1 1 58 58 ILE N N 15 116.6 0.3 . 1 . . . . 57 ILE N . 25493 1 657 . 1 1 59 59 ASN H H 1 8.12 0.02 . 1 . . . . 58 ASN H . 25493 1 658 . 1 1 59 59 ASN HA H 1 4.37 0.02 . 1 . . . . 58 ASN HA . 25493 1 659 . 1 1 59 59 ASN HB2 H 1 3.06 0.02 . 2 . . . . 58 ASN HB2 . 25493 1 660 . 1 1 59 59 ASN HB3 H 1 2.89 0.02 . 2 . . . . 58 ASN HB3 . 25493 1 661 . 1 1 59 59 ASN HD21 H 1 7.31 0.02 . 1 . . . . 58 ASN HD21 . 25493 1 662 . 1 1 59 59 ASN HD22 H 1 8.03 0.02 . 1 . . . . 58 ASN HD22 . 25493 1 663 . 1 1 59 59 ASN C C 13 176.7 0.3 . 1 . . . . 58 ASN C . 25493 1 664 . 1 1 59 59 ASN CA C 13 57.0 0.3 . 1 . . . . 58 ASN CA . 25493 1 665 . 1 1 59 59 ASN CB C 13 38.5 0.3 . 1 . . . . 58 ASN CB . 25493 1 666 . 1 1 59 59 ASN N N 15 119.6 0.3 . 1 . . . . 58 ASN N . 25493 1 667 . 1 1 59 59 ASN ND2 N 15 116.2 0.3 . 1 . . . . 58 ASN ND2 . 25493 1 668 . 1 1 60 60 ASP H H 1 8.49 0.02 . 1 . . . . 59 ASP H . 25493 1 669 . 1 1 60 60 ASP HA H 1 4.38 0.02 . 1 . . . . 59 ASP HA . 25493 1 670 . 1 1 60 60 ASP HB2 H 1 2.95 0.02 . 2 . . . . 59 ASP HB2 . 25493 1 671 . 1 1 60 60 ASP HB3 H 1 2.67 0.02 . 2 . . . . 59 ASP HB3 . 25493 1 672 . 1 1 60 60 ASP C C 13 179.4 0.3 . 1 . . . . 59 ASP C . 25493 1 673 . 1 1 60 60 ASP CA C 13 57.6 0.3 . 1 . . . . 59 ASP CA . 25493 1 674 . 1 1 60 60 ASP CB C 13 39.6 0.3 . 1 . . . . 59 ASP CB . 25493 1 675 . 1 1 60 60 ASP N N 15 119.6 0.3 . 1 . . . . 59 ASP N . 25493 1 676 . 1 1 61 61 VAL H H 1 7.93 0.02 . 1 . . . . 60 VAL H . 25493 1 677 . 1 1 61 61 VAL HA H 1 3.75 0.02 . 1 . . . . 60 VAL HA . 25493 1 678 . 1 1 61 61 VAL HB H 1 2.20 0.02 . 1 . . . . 60 VAL HB . 25493 1 679 . 1 1 61 61 VAL HG11 H 1 1.12 0.02 . 1 . . . . 60 VAL HG11 . 25493 1 680 . 1 1 61 61 VAL HG12 H 1 1.12 0.02 . 1 . . . . 60 VAL HG12 . 25493 1 681 . 1 1 61 61 VAL HG13 H 1 1.12 0.02 . 1 . . . . 60 VAL HG13 . 25493 1 682 . 1 1 61 61 VAL HG21 H 1 0.89 0.02 . 1 . . . . 60 VAL HG21 . 25493 1 683 . 1 1 61 61 VAL HG22 H 1 0.89 0.02 . 1 . . . . 60 VAL HG22 . 25493 1 684 . 1 1 61 61 VAL HG23 H 1 0.89 0.02 . 1 . . . . 60 VAL HG23 . 25493 1 685 . 1 1 61 61 VAL C C 13 179.0 0.3 . 1 . . . . 60 VAL C . 25493 1 686 . 1 1 61 61 VAL CA C 13 65.8 0.3 . 1 . . . . 60 VAL CA . 25493 1 687 . 1 1 61 61 VAL CB C 13 32.5 0.3 . 1 . . . . 60 VAL CB . 25493 1 688 . 1 1 61 61 VAL CG1 C 13 24.3 0.3 . 1 . . . . 60 VAL CG1 . 25493 1 689 . 1 1 61 61 VAL CG2 C 13 21.0 0.3 . 1 . . . . 60 VAL CG2 . 25493 1 690 . 1 1 61 61 VAL N N 15 118.7 0.3 . 1 . . . . 60 VAL N . 25493 1 691 . 1 1 62 62 ARG H H 1 8.62 0.02 . 1 . . . . 61 ARG H . 25493 1 692 . 1 1 62 62 ARG HA H 1 3.65 0.02 . 1 . . . . 61 ARG HA . 25493 1 693 . 1 1 62 62 ARG HB2 H 1 2.30 0.02 . 2 . . . . 61 ARG HB2 . 25493 1 694 . 1 1 62 62 ARG HB3 H 1 1.72 0.02 . 2 . . . . 61 ARG HB3 . 25493 1 695 . 1 1 62 62 ARG C C 13 177.1 0.3 . 1 . . . . 61 ARG C . 25493 1 696 . 1 1 62 62 ARG CA C 13 59.2 0.3 . 1 . . . . 61 ARG CA . 25493 1 697 . 1 1 62 62 ARG CB C 13 29.8 0.3 . 1 . . . . 61 ARG CB . 25493 1 698 . 1 1 62 62 ARG CG C 13 27.0 0.3 . 1 . . . . 61 ARG CG . 25493 1 699 . 1 1 62 62 ARG CD C 13 43.4 0.3 . 1 . . . . 61 ARG CD . 25493 1 700 . 1 1 62 62 ARG N N 15 120.9 0.3 . 1 . . . . 61 ARG N . 25493 1 701 . 1 1 63 63 LYS H H 1 7.94 0.02 . 1 . . . . 62 LYS H . 25493 1 702 . 1 1 63 63 LYS HA H 1 3.93 0.02 . 1 . . . . 62 LYS HA . 25493 1 703 . 1 1 63 63 LYS C C 13 177.6 0.3 . 1 . . . . 62 LYS C . 25493 1 704 . 1 1 63 63 LYS CA C 13 59.2 0.3 . 1 . . . . 62 LYS CA . 25493 1 705 . 1 1 63 63 LYS CB C 13 33.0 0.3 . 1 . . . . 62 LYS CB . 25493 1 706 . 1 1 63 63 LYS CG C 13 25.9 0.3 . 1 . . . . 62 LYS CG . 25493 1 707 . 1 1 63 63 LYS CD C 13 29.7 0.3 . 1 . . . . 62 LYS CD . 25493 1 708 . 1 1 63 63 LYS CE C 13 41.8 0.3 . 1 . . . . 62 LYS CE . 25493 1 709 . 1 1 63 63 LYS N N 15 115.7 0.3 . 1 . . . . 62 LYS N . 25493 1 710 . 1 1 64 64 LYS H H 1 7.13 0.02 . 1 . . . . 63 LYS H . 25493 1 711 . 1 1 64 64 LYS HA H 1 4.43 0.02 . 1 . . . . 63 LYS HA . 25493 1 712 . 1 1 64 64 LYS HB2 H 1 1.94 0.02 . 2 . . . . 63 LYS HB2 . 25493 1 713 . 1 1 64 64 LYS HB3 H 1 1.80 0.02 . 2 . . . . 63 LYS HB3 . 25493 1 714 . 1 1 64 64 LYS C C 13 176.9 0.3 . 1 . . . . 63 LYS C . 25493 1 715 . 1 1 64 64 LYS CA C 13 55.4 0.3 . 1 . . . . 63 LYS CA . 25493 1 716 . 1 1 64 64 LYS CB C 13 34.1 0.3 . 1 . . . . 63 LYS CB . 25493 1 717 . 1 1 64 64 LYS CG C 13 25.3 0.3 . 1 . . . . 63 LYS CG . 25493 1 718 . 1 1 64 64 LYS CD C 13 28.7 0.3 . 1 . . . . 63 LYS CD . 25493 1 719 . 1 1 64 64 LYS CE C 13 42.3 0.3 . 1 . . . . 63 LYS CE . 25493 1 720 . 1 1 64 64 LYS N N 15 115.3 0.3 . 1 . . . . 63 LYS N . 25493 1 721 . 1 1 65 65 THR H H 1 7.25 0.02 . 1 . . . . 64 THR H . 25493 1 722 . 1 1 65 65 THR HA H 1 4.52 0.02 . 1 . . . . 64 THR HA . 25493 1 723 . 1 1 65 65 THR HB H 1 4.16 0.02 . 1 . . . . 64 THR HB . 25493 1 724 . 1 1 65 65 THR HG21 H 1 1.28 0.02 . 1 . . . . 64 THR HG21 . 25493 1 725 . 1 1 65 65 THR HG22 H 1 1.28 0.02 . 1 . . . . 64 THR HG22 . 25493 1 726 . 1 1 65 65 THR HG23 H 1 1.28 0.02 . 1 . . . . 64 THR HG23 . 25493 1 727 . 1 1 65 65 THR C C 13 173.2 0.3 . 1 . . . . 64 THR C . 25493 1 728 . 1 1 65 65 THR CA C 13 62.0 0.3 . 1 . . . . 64 THR CA . 25493 1 729 . 1 1 65 65 THR CB C 13 69.6 0.3 . 1 . . . . 64 THR CB . 25493 1 730 . 1 1 65 65 THR CG2 C 13 19.4 0.3 . 1 . . . . 64 THR CG2 . 25493 1 731 . 1 1 65 65 THR N N 15 113.5 0.3 . 1 . . . . 64 THR N . 25493 1 732 . 1 1 66 66 LYS H H 1 8.50 0.02 . 1 . . . . 65 LYS H . 25493 1 733 . 1 1 66 66 LYS HA H 1 4.51 0.02 . 1 . . . . 65 LYS HA . 25493 1 734 . 1 1 66 66 LYS HB2 H 1 2.11 0.02 . 2 . . . . 65 LYS HB2 . 25493 1 735 . 1 1 66 66 LYS HB3 H 1 1.69 0.02 . 2 . . . . 65 LYS HB3 . 25493 1 736 . 1 1 66 66 LYS C C 13 175.9 0.3 . 1 . . . . 65 LYS C . 25493 1 737 . 1 1 66 66 LYS CA C 13 55.4 0.3 . 1 . . . . 65 LYS CA . 25493 1 738 . 1 1 66 66 LYS CB C 13 32.0 0.3 . 1 . . . . 65 LYS CB . 25493 1 739 . 1 1 66 66 LYS CG C 13 24.9 0.3 . 1 . . . . 65 LYS CG . 25493 1 740 . 1 1 66 66 LYS CD C 13 28.7 0.3 . 1 . . . . 65 LYS CD . 25493 1 741 . 1 1 66 66 LYS CE C 13 42.3 0.3 . 1 . . . . 65 LYS CE . 25493 1 742 . 1 1 66 66 LYS N N 15 125.7 0.3 . 1 . . . . 65 LYS N . 25493 1 743 . 1 1 67 67 ASN H H 1 8.57 0.02 . 1 . . . . 66 ASN H . 25493 1 744 . 1 1 67 67 ASN HA H 1 4.70 0.02 . 1 . . . . 66 ASN HA . 25493 1 745 . 1 1 67 67 ASN HB2 H 1 3.00 0.02 . 2 . . . . 66 ASN HB2 . 25493 1 746 . 1 1 67 67 ASN HB3 H 1 2.61 0.02 . 2 . . . . 66 ASN HB3 . 25493 1 747 . 1 1 67 67 ASN HD21 H 1 7.25 0.02 . 1 . . . . 66 ASN HD21 . 25493 1 748 . 1 1 67 67 ASN HD22 H 1 7.52 0.02 . 1 . . . . 66 ASN HD22 . 25493 1 749 . 1 1 67 67 ASN C C 13 174.4 0.3 . 1 . . . . 66 ASN C . 25493 1 750 . 1 1 67 67 ASN CA C 13 53.2 0.3 . 1 . . . . 66 ASN CA . 25493 1 751 . 1 1 67 67 ASN CB C 13 39.0 0.3 . 1 . . . . 66 ASN CB . 25493 1 752 . 1 1 67 67 ASN N N 15 122.1 0.3 . 1 . . . . 66 ASN N . 25493 1 753 . 1 1 67 67 ASN ND2 N 15 112.7 0.3 . 1 . . . . 66 ASN ND2 . 25493 1 754 . 1 1 68 68 GLU H H 1 8.85 0.02 . 1 . . . . 67 GLU H . 25493 1 755 . 1 1 68 68 GLU HA H 1 3.99 0.02 . 1 . . . . 67 GLU HA . 25493 1 756 . 1 1 68 68 GLU C C 13 178.5 0.3 . 1 . . . . 67 GLU C . 25493 1 757 . 1 1 68 68 GLU CA C 13 59.6 0.3 . 1 . . . . 67 GLU CA . 25493 1 758 . 1 1 68 68 GLU CB C 13 29.8 0.3 . 1 . . . . 67 GLU CB . 25493 1 759 . 1 1 68 68 GLU CG C 13 36.6 0.3 . 1 . . . . 67 GLU CG . 25493 1 760 . 1 1 68 68 GLU N N 15 128.4 0.3 . 1 . . . . 67 GLU N . 25493 1 761 . 1 1 69 69 GLU H H 1 8.19 0.02 . 1 . . . . 68 GLU H . 25493 1 762 . 1 1 69 69 GLU HA H 1 4.03 0.02 . 1 . . . . 68 GLU HA . 25493 1 763 . 1 1 69 69 GLU HB2 H 1 2.10 0.02 . 1 . . . . 68 GLU HB2 . 25493 1 764 . 1 1 69 69 GLU HB3 H 1 2.10 0.02 . 1 . . . . 68 GLU HB3 . 25493 1 765 . 1 1 69 69 GLU HG2 H 1 2.25 0.02 . 1 . . . . 68 GLU HG2 . 25493 1 766 . 1 1 69 69 GLU HG3 H 1 2.25 0.02 . 1 . . . . 68 GLU HG3 . 25493 1 767 . 1 1 69 69 GLU C C 13 179.0 0.3 . 1 . . . . 68 GLU C . 25493 1 768 . 1 1 69 69 GLU CA C 13 59.5 0.3 . 1 . . . . 68 GLU CA . 25493 1 769 . 1 1 69 69 GLU CB C 13 29.2 0.3 . 1 . . . . 68 GLU CB . 25493 1 770 . 1 1 69 69 GLU CG C 13 36.3 0.3 . 1 . . . . 68 GLU CG . 25493 1 771 . 1 1 69 69 GLU N N 15 120.4 0.3 . 1 . . . . 68 GLU N . 25493 1 772 . 1 1 70 70 LEU H H 1 8.12 0.02 . 1 . . . . 69 LEU H . 25493 1 773 . 1 1 70 70 LEU HA H 1 3.87 0.02 . 1 . . . . 69 LEU HA . 25493 1 774 . 1 1 70 70 LEU HB2 H 1 1.93 0.02 . 2 . . . . 69 LEU HB2 . 25493 1 775 . 1 1 70 70 LEU HB3 H 1 1.45 0.02 . 2 . . . . 69 LEU HB3 . 25493 1 776 . 1 1 70 70 LEU HD11 H 1 0.86 0.02 . 1 . . . . 69 LEU HD11 . 25493 1 777 . 1 1 70 70 LEU HD12 H 1 0.86 0.02 . 1 . . . . 69 LEU HD12 . 25493 1 778 . 1 1 70 70 LEU HD13 H 1 0.86 0.02 . 1 . . . . 69 LEU HD13 . 25493 1 779 . 1 1 70 70 LEU HD21 H 1 0.86 0.02 . 1 . . . . 69 LEU HD21 . 25493 1 780 . 1 1 70 70 LEU HD22 H 1 0.86 0.02 . 1 . . . . 69 LEU HD22 . 25493 1 781 . 1 1 70 70 LEU HD23 H 1 0.86 0.02 . 1 . . . . 69 LEU HD23 . 25493 1 782 . 1 1 70 70 LEU C C 13 178.5 0.3 . 1 . . . . 69 LEU C . 25493 1 783 . 1 1 70 70 LEU CA C 13 58.2 0.3 . 1 . . . . 69 LEU CA . 25493 1 784 . 1 1 70 70 LEU CB C 13 40.7 0.3 . 1 . . . . 69 LEU CB . 25493 1 785 . 1 1 70 70 LEU CG C 13 28.3 0.3 . 1 . . . . 69 LEU CG . 25493 1 786 . 1 1 70 70 LEU CD1 C 13 25.6 0.3 . 1 . . . . 69 LEU CD1 . 25493 1 787 . 1 1 70 70 LEU CD2 C 13 24.8 0.3 . 2 . . . . 69 LEU CD2 . 25493 1 788 . 1 1 70 70 LEU N N 15 121.3 0.3 . 1 . . . . 69 LEU N . 25493 1 789 . 1 1 71 71 ALA H H 1 8.33 0.02 . 1 . . . . 70 ALA H . 25493 1 790 . 1 1 71 71 ALA HA H 1 3.74 0.02 . 1 . . . . 70 ALA HA . 25493 1 791 . 1 1 71 71 ALA HB1 H 1 1.47 0.02 . 1 . . . . 70 ALA HB1 . 25493 1 792 . 1 1 71 71 ALA HB2 H 1 1.47 0.02 . 1 . . . . 70 ALA HB2 . 25493 1 793 . 1 1 71 71 ALA HB3 H 1 1.47 0.02 . 1 . . . . 70 ALA HB3 . 25493 1 794 . 1 1 71 71 ALA C C 13 180.1 0.3 . 1 . . . . 70 ALA C . 25493 1 795 . 1 1 71 71 ALA CA C 13 56.5 0.3 . 1 . . . . 70 ALA CA . 25493 1 796 . 1 1 71 71 ALA CB C 13 17.7 0.3 . 1 . . . . 70 ALA CB . 25493 1 797 . 1 1 71 71 ALA N N 15 121.0 0.3 . 1 . . . . 70 ALA N . 25493 1 798 . 1 1 72 72 LYS H H 1 8.15 0.02 . 1 . . . . 71 LYS H . 25493 1 799 . 1 1 72 72 LYS HA H 1 3.96 0.02 . 1 . . . . 71 LYS HA . 25493 1 800 . 1 1 72 72 LYS HB2 H 1 1.96 0.02 . 2 . . . . 71 LYS HB2 . 25493 1 801 . 1 1 72 72 LYS HB3 H 1 1.88 0.02 . 2 . . . . 71 LYS HB3 . 25493 1 802 . 1 1 72 72 LYS C C 13 179.8 0.3 . 1 . . . . 71 LYS C . 25493 1 803 . 1 1 72 72 LYS CA C 13 60.0 0.3 . 1 . . . . 71 LYS CA . 25493 1 804 . 1 1 72 72 LYS CB C 13 32.6 0.3 . 1 . . . . 71 LYS CB . 25493 1 805 . 1 1 72 72 LYS CG C 13 25.4 0.3 . 1 . . . . 71 LYS CG . 25493 1 806 . 1 1 72 72 LYS CD C 13 29.8 0.3 . 1 . . . . 71 LYS CD . 25493 1 807 . 1 1 72 72 LYS CE C 13 41.6 0.3 . 1 . . . . 71 LYS CE . 25493 1 808 . 1 1 72 72 LYS N N 15 118.2 0.3 . 1 . . . . 71 LYS N . 25493 1 809 . 1 1 73 73 ARG H H 1 8.14 0.02 . 1 . . . . 72 ARG H . 25493 1 810 . 1 1 73 73 ARG HA H 1 3.99 0.02 . 1 . . . . 72 ARG HA . 25493 1 811 . 1 1 73 73 ARG HB2 H 1 1.97 0.02 . 2 . . . . 72 ARG HB2 . 25493 1 812 . 1 1 73 73 ARG HB3 H 1 1.72 0.02 . 2 . . . . 72 ARG HB3 . 25493 1 813 . 1 1 73 73 ARG C C 13 180.1 0.3 . 1 . . . . 72 ARG C . 25493 1 814 . 1 1 73 73 ARG CA C 13 59.4 0.3 . 1 . . . . 72 ARG CA . 25493 1 815 . 1 1 73 73 ARG CB C 13 31.6 0.3 . 1 . . . . 72 ARG CB . 25493 1 816 . 1 1 73 73 ARG CG C 13 27.1 0.3 . 1 . . . . 72 ARG CG . 25493 1 817 . 1 1 73 73 ARG CD C 13 44.8 0.3 . 1 . . . . 72 ARG CD . 25493 1 818 . 1 1 73 73 ARG N N 15 120.6 0.3 . 1 . . . . 72 ARG N . 25493 1 819 . 1 1 74 74 ALA H H 1 8.97 0.02 . 1 . . . . 73 ALA H . 25493 1 820 . 1 1 74 74 ALA HA H 1 3.78 0.02 . 1 . . . . 73 ALA HA . 25493 1 821 . 1 1 74 74 ALA HB1 H 1 1.26 0.02 . 1 . . . . 73 ALA HB1 . 25493 1 822 . 1 1 74 74 ALA HB2 H 1 1.26 0.02 . 1 . . . . 73 ALA HB2 . 25493 1 823 . 1 1 74 74 ALA HB3 H 1 1.26 0.02 . 1 . . . . 73 ALA HB3 . 25493 1 824 . 1 1 74 74 ALA C C 13 178.1 0.3 . 1 . . . . 73 ALA C . 25493 1 825 . 1 1 74 74 ALA CA C 13 55.1 0.3 . 1 . . . . 73 ALA CA . 25493 1 826 . 1 1 74 74 ALA CB C 13 17.3 0.3 . 1 . . . . 73 ALA CB . 25493 1 827 . 1 1 74 74 ALA N N 15 121.7 0.3 . 1 . . . . 73 ALA N . 25493 1 828 . 1 1 75 75 LYS H H 1 8.20 0.02 . 1 . . . . 74 LYS H . 25493 1 829 . 1 1 75 75 LYS HA H 1 3.74 0.02 . 1 . . . . 74 LYS HA . 25493 1 830 . 1 1 75 75 LYS HB2 H 1 1.97 0.02 . 2 . . . . 74 LYS HB2 . 25493 1 831 . 1 1 75 75 LYS HB3 H 1 1.89 0.02 . 2 . . . . 74 LYS HB3 . 25493 1 832 . 1 1 75 75 LYS HG2 H 1 1.43 0.02 . 2 . . . . 74 LYS HG2 . 25493 1 833 . 1 1 75 75 LYS HG3 H 1 1.38 0.02 . 2 . . . . 74 LYS HG3 . 25493 1 834 . 1 1 75 75 LYS C C 13 178.3 0.3 . 1 . . . . 74 LYS C . 25493 1 835 . 1 1 75 75 LYS CA C 13 60.3 0.3 . 1 . . . . 74 LYS CA . 25493 1 836 . 1 1 75 75 LYS CB C 13 32.5 0.3 . 1 . . . . 74 LYS CB . 25493 1 837 . 1 1 75 75 LYS CG C 13 25.4 0.3 . 1 . . . . 74 LYS CG . 25493 1 838 . 1 1 75 75 LYS CD C 13 29.7 0.3 . 1 . . . . 74 LYS CD . 25493 1 839 . 1 1 75 75 LYS CE C 13 41.7 0.3 . 1 . . . . 74 LYS CE . 25493 1 840 . 1 1 75 75 LYS N N 15 117.9 0.3 . 1 . . . . 74 LYS N . 25493 1 841 . 1 1 76 76 LYS H H 1 7.63 0.02 . 1 . . . . 75 LYS H . 25493 1 842 . 1 1 76 76 LYS HA H 1 3.89 0.02 . 1 . . . . 75 LYS HA . 25493 1 843 . 1 1 76 76 LYS C C 13 179.2 0.3 . 1 . . . . 75 LYS C . 25493 1 844 . 1 1 76 76 LYS CA C 13 59.8 0.3 . 1 . . . . 75 LYS CA . 25493 1 845 . 1 1 76 76 LYS CB C 13 32.4 0.3 . 1 . . . . 75 LYS CB . 25493 1 846 . 1 1 76 76 LYS CG C 13 25.4 0.3 . 1 . . . . 75 LYS CG . 25493 1 847 . 1 1 76 76 LYS CD C 13 29.4 0.3 . 1 . . . . 75 LYS CD . 25493 1 848 . 1 1 76 76 LYS CE C 13 41.8 0.3 . 1 . . . . 75 LYS CE . 25493 1 849 . 1 1 76 76 LYS N N 15 118.8 0.3 . 1 . . . . 75 LYS N . 25493 1 850 . 1 1 77 77 LEU H H 1 7.43 0.02 . 1 . . . . 76 LEU H . 25493 1 851 . 1 1 77 77 LEU HA H 1 3.63 0.02 . 1 . . . . 76 LEU HA . 25493 1 852 . 1 1 77 77 LEU HB2 H 1 1.35 0.02 . 2 . . . . 76 LEU HB2 . 25493 1 853 . 1 1 77 77 LEU HB3 H 1 0.80 0.02 . 2 . . . . 76 LEU HB3 . 25493 1 854 . 1 1 77 77 LEU HD11 H 1 0.55 0.02 . 1 . . . . 76 LEU HD11 . 25493 1 855 . 1 1 77 77 LEU HD12 H 1 0.55 0.02 . 1 . . . . 76 LEU HD12 . 25493 1 856 . 1 1 77 77 LEU HD13 H 1 0.55 0.02 . 1 . . . . 76 LEU HD13 . 25493 1 857 . 1 1 77 77 LEU HD21 H 1 0.55 0.02 . 1 . . . . 76 LEU HD21 . 25493 1 858 . 1 1 77 77 LEU HD22 H 1 0.55 0.02 . 1 . . . . 76 LEU HD22 . 25493 1 859 . 1 1 77 77 LEU HD23 H 1 0.55 0.02 . 1 . . . . 76 LEU HD23 . 25493 1 860 . 1 1 77 77 LEU C C 13 178.2 0.3 . 1 . . . . 76 LEU C . 25493 1 861 . 1 1 77 77 LEU CA C 13 57.6 0.3 . 1 . . . . 76 LEU CA . 25493 1 862 . 1 1 77 77 LEU CB C 13 41.8 0.3 . 1 . . . . 76 LEU CB . 25493 1 863 . 1 1 77 77 LEU CD1 C 13 25.4 0.3 . 1 . . . . 76 LEU CD1 . 25493 1 864 . 1 1 77 77 LEU CD2 C 13 24.5 0.3 . 2 . . . . 76 LEU CD2 . 25493 1 865 . 1 1 77 77 LEU N N 15 121.4 0.3 . 1 . . . . 76 LEU N . 25493 1 866 . 1 1 78 78 LEU H H 1 7.96 0.02 . 1 . . . . 77 LEU H . 25493 1 867 . 1 1 78 78 LEU HA H 1 3.76 0.02 . 1 . . . . 77 LEU HA . 25493 1 868 . 1 1 78 78 LEU HB2 H 1 1.80 0.02 . 2 . . . . 77 LEU HB2 . 25493 1 869 . 1 1 78 78 LEU HB3 H 1 1.41 0.02 . 2 . . . . 77 LEU HB3 . 25493 1 870 . 1 1 78 78 LEU HG H 1 1.10 0.02 . 1 . . . . 77 LEU HG . 25493 1 871 . 1 1 78 78 LEU HD11 H 1 0.81 0.02 . 1 . . . . 77 LEU HD11 . 25493 1 872 . 1 1 78 78 LEU HD12 H 1 0.81 0.02 . 1 . . . . 77 LEU HD12 . 25493 1 873 . 1 1 78 78 LEU HD13 H 1 0.81 0.02 . 1 . . . . 77 LEU HD13 . 25493 1 874 . 1 1 78 78 LEU HD21 H 1 0.81 0.02 . 1 . . . . 77 LEU HD21 . 25493 1 875 . 1 1 78 78 LEU HD22 H 1 0.81 0.02 . 1 . . . . 77 LEU HD22 . 25493 1 876 . 1 1 78 78 LEU HD23 H 1 0.81 0.02 . 1 . . . . 77 LEU HD23 . 25493 1 877 . 1 1 78 78 LEU C C 13 180.3 0.3 . 1 . . . . 77 LEU C . 25493 1 878 . 1 1 78 78 LEU CA C 13 58.1 0.3 . 1 . . . . 77 LEU CA . 25493 1 879 . 1 1 78 78 LEU CB C 13 41.2 0.3 . 1 . . . . 77 LEU CB . 25493 1 880 . 1 1 78 78 LEU CG C 13 28.8 0.3 . 1 . . . . 77 LEU CG . 25493 1 881 . 1 1 78 78 LEU CD1 C 13 23.7 0.3 . 1 . . . . 77 LEU CD1 . 25493 1 882 . 1 1 78 78 LEU CD2 C 13 26.3 0.3 . 1 . . . . 77 LEU CD2 . 25493 1 883 . 1 1 78 78 LEU N N 15 117.6 0.3 . 1 . . . . 77 LEU N . 25493 1 884 . 1 1 79 79 ARG H H 1 8.11 0.02 . 1 . . . . 78 ARG H . 25493 1 885 . 1 1 79 79 ARG HA H 1 4.11 0.02 . 1 . . . . 78 ARG HA . 25493 1 886 . 1 1 79 79 ARG HB2 H 1 1.90 0.02 . 1 . . . . 78 ARG HB2 . 25493 1 887 . 1 1 79 79 ARG HB3 H 1 1.90 0.02 . 1 . . . . 78 ARG HB3 . 25493 1 888 . 1 1 79 79 ARG HG2 H 1 1.73 0.02 . 2 . . . . 78 ARG HG2 . 25493 1 889 . 1 1 79 79 ARG HG3 H 1 1.65 0.02 . 2 . . . . 78 ARG HG3 . 25493 1 890 . 1 1 79 79 ARG C C 13 179.5 0.3 . 1 . . . . 78 ARG C . 25493 1 891 . 1 1 79 79 ARG CA C 13 59.2 0.3 . 1 . . . . 78 ARG CA . 25493 1 892 . 1 1 79 79 ARG CB C 13 29.7 0.3 . 1 . . . . 78 ARG CB . 25493 1 893 . 1 1 79 79 ARG CG C 13 27.6 0.3 . 1 . . . . 78 ARG CG . 25493 1 894 . 1 1 79 79 ARG CD C 13 43.4 0.3 . 1 . . . . 78 ARG CD . 25493 1 895 . 1 1 79 79 ARG N N 15 119.8 0.3 . 1 . . . . 78 ARG N . 25493 1 896 . 1 1 80 80 SER H H 1 7.87 0.02 . 1 . . . . 79 SER H . 25493 1 897 . 1 1 80 80 SER HA H 1 4.31 0.02 . 1 . . . . 79 SER HA . 25493 1 898 . 1 1 80 80 SER HB2 H 1 4.01 0.02 . 1 . . . . 79 SER HB2 . 25493 1 899 . 1 1 80 80 SER HB3 H 1 4.01 0.02 . 1 . . . . 79 SER HB3 . 25493 1 900 . 1 1 80 80 SER C C 13 177.0 0.3 . 1 . . . . 79 SER C . 25493 1 901 . 1 1 80 80 SER CA C 13 61.5 0.3 . 1 . . . . 79 SER CA . 25493 1 902 . 1 1 80 80 SER CB C 13 62.5 0.3 . 1 . . . . 79 SER CB . 25493 1 903 . 1 1 80 80 SER N N 15 117.8 0.3 . 1 . . . . 79 SER N . 25493 1 904 . 1 1 81 81 TRP H H 1 8.01 0.02 . 1 . . . . 80 TRP H . 25493 1 905 . 1 1 81 81 TRP HA H 1 4.81 0.02 . 1 . . . . 80 TRP HA . 25493 1 906 . 1 1 81 81 TRP HB2 H 1 3.35 0.02 . 2 . . . . 80 TRP HB2 . 25493 1 907 . 1 1 81 81 TRP HB3 H 1 3.22 0.02 . 2 . . . . 80 TRP HB3 . 25493 1 908 . 1 1 81 81 TRP HD1 H 1 6.97 0.02 . 1 . . . . 80 TRP HD1 . 25493 1 909 . 1 1 81 81 TRP HE1 H 1 10.32 0.02 . 1 . . . . 80 TRP HE1 . 25493 1 910 . 1 1 81 81 TRP HE3 H 1 7.36 0.02 . 1 . . . . 80 TRP HE3 . 25493 1 911 . 1 1 81 81 TRP HZ2 H 1 7.35 0.02 . 1 . . . . 80 TRP HZ2 . 25493 1 912 . 1 1 81 81 TRP HZ3 H 1 6.61 0.02 . 1 . . . . 80 TRP HZ3 . 25493 1 913 . 1 1 81 81 TRP HH2 H 1 6.86 0.02 . 1 . . . . 80 TRP HH2 . 25493 1 914 . 1 1 81 81 TRP C C 13 178.2 0.3 . 1 . . . . 80 TRP C . 25493 1 915 . 1 1 81 81 TRP CA C 13 56.5 0.3 . 1 . . . . 80 TRP CA . 25493 1 916 . 1 1 81 81 TRP CB C 13 29.2 0.3 . 1 . . . . 80 TRP CB . 25493 1 917 . 1 1 81 81 TRP CD1 C 13 123.5 0.3 . 1 . . . . 80 TRP CD1 . 25493 1 918 . 1 1 81 81 TRP CE3 C 13 119.9 0.3 . 1 . . . . 80 TRP CE3 . 25493 1 919 . 1 1 81 81 TRP CZ2 C 13 123.1 0.3 . 1 . . . . 80 TRP CZ2 . 25493 1 920 . 1 1 81 81 TRP CZ3 C 13 113.5 0.3 . 1 . . . . 80 TRP CZ3 . 25493 1 921 . 1 1 81 81 TRP CH2 C 13 120.4 0.3 . 1 . . . . 80 TRP CH2 . 25493 1 922 . 1 1 81 81 TRP N N 15 123.3 0.3 . 1 . . . . 80 TRP N . 25493 1 923 . 1 1 81 81 TRP NE1 N 15 128.0 0.3 . 1 . . . . 80 TRP NE1 . 25493 1 924 . 1 1 82 82 GLN H H 1 8.08 0.02 . 1 . . . . 81 GLN H . 25493 1 925 . 1 1 82 82 GLN HA H 1 4.08 0.02 . 1 . . . . 81 GLN HA . 25493 1 926 . 1 1 82 82 GLN HB2 H 1 2.32 0.02 . 2 . . . . 81 GLN HB2 . 25493 1 927 . 1 1 82 82 GLN HB3 H 1 2.18 0.02 . 2 . . . . 81 GLN HB3 . 25493 1 928 . 1 1 82 82 GLN HG2 H 1 2.52 0.02 . 2 . . . . 81 GLN HG2 . 25493 1 929 . 1 1 82 82 GLN HG3 H 1 2.45 0.02 . 2 . . . . 81 GLN HG3 . 25493 1 930 . 1 1 82 82 GLN HE21 H 1 6.84 0.02 . 1 . . . . 81 GLN HE21 . 25493 1 931 . 1 1 82 82 GLN HE22 H 1 7.60 0.02 . 1 . . . . 81 GLN HE22 . 25493 1 932 . 1 1 82 82 GLN C C 13 177.6 0.3 . 1 . . . . 81 GLN C . 25493 1 933 . 1 1 82 82 GLN CA C 13 59.2 0.3 . 1 . . . . 81 GLN CA . 25493 1 934 . 1 1 82 82 GLN CB C 13 28.2 0.3 . 1 . . . . 81 GLN CB . 25493 1 935 . 1 1 82 82 GLN CG C 13 34.1 0.3 . 1 . . . . 81 GLN CG . 25493 1 936 . 1 1 82 82 GLN N N 15 120.4 0.3 . 1 . . . . 81 GLN N . 25493 1 937 . 1 1 82 82 GLN NE2 N 15 111.9 0.3 . 1 . . . . 81 GLN NE2 . 25493 1 938 . 1 1 83 83 LYS H H 1 7.77 0.02 . 1 . . . . 82 LYS H . 25493 1 939 . 1 1 83 83 LYS HA H 1 4.22 0.02 . 1 . . . . 82 LYS HA . 25493 1 940 . 1 1 83 83 LYS HB2 H 1 1.96 0.02 . 2 . . . . 82 LYS HB2 . 25493 1 941 . 1 1 83 83 LYS HB3 H 1 1.89 0.02 . 2 . . . . 82 LYS HB3 . 25493 1 942 . 1 1 83 83 LYS HG2 H 1 1.55 0.02 . 2 . . . . 82 LYS HG2 . 25493 1 943 . 1 1 83 83 LYS HG3 H 1 1.55 0.02 . 2 . . . . 82 LYS HG3 . 25493 1 944 . 1 1 83 83 LYS HD2 H 1 1.72 0.02 . 2 . . . . 82 LYS HD2 . 25493 1 945 . 1 1 83 83 LYS HD3 H 1 1.72 0.02 . 2 . . . . 82 LYS HD3 . 25493 1 946 . 1 1 83 83 LYS HE2 H 1 2.99 0.02 . 2 . . . . 82 LYS HE2 . 25493 1 947 . 1 1 83 83 LYS HE3 H 1 2.99 0.02 . 2 . . . . 82 LYS HE3 . 25493 1 948 . 1 1 83 83 LYS C C 13 177.4 0.3 . 1 . . . . 82 LYS C . 25493 1 949 . 1 1 83 83 LYS CA C 13 57.6 0.3 . 1 . . . . 82 LYS CA . 25493 1 950 . 1 1 83 83 LYS CB C 13 32.5 0.3 . 1 . . . . 82 LYS CB . 25493 1 951 . 1 1 83 83 LYS CG C 13 25.0 0.3 . 1 . . . . 82 LYS CG . 25493 1 952 . 1 1 83 83 LYS CD C 13 29.2 0.3 . 1 . . . . 82 LYS CD . 25493 1 953 . 1 1 83 83 LYS N N 15 115.6 0.3 . 1 . . . . 82 LYS N . 25493 1 954 . 1 1 84 84 LEU H H 1 7.67 0.02 . 1 . . . . 83 LEU H . 25493 1 955 . 1 1 84 84 LEU HA H 1 4.28 0.02 . 1 . . . . 83 LEU HA . 25493 1 956 . 1 1 84 84 LEU HB2 H 1 1.88 0.02 . 2 . . . . 83 LEU HB2 . 25493 1 957 . 1 1 84 84 LEU HB3 H 1 1.49 0.02 . 2 . . . . 83 LEU HB3 . 25493 1 958 . 1 1 84 84 LEU HG H 1 1.73 0.02 . 1 . . . . 83 LEU HG . 25493 1 959 . 1 1 84 84 LEU HD11 H 1 0.87 0.02 . 2 . . . . 83 LEU HD11 . 25493 1 960 . 1 1 84 84 LEU HD12 H 1 0.87 0.02 . 2 . . . . 83 LEU HD12 . 25493 1 961 . 1 1 84 84 LEU HD13 H 1 0.87 0.02 . 1 . . . . 83 LEU HD13 . 25493 1 962 . 1 1 84 84 LEU HD21 H 1 0.87 0.02 . 2 . . . . 83 LEU HD21 . 25493 1 963 . 1 1 84 84 LEU HD22 H 1 0.87 0.02 . 2 . . . . 83 LEU HD22 . 25493 1 964 . 1 1 84 84 LEU HD23 H 1 0.87 0.02 . 1 . . . . 83 LEU HD23 . 25493 1 965 . 1 1 84 84 LEU C C 13 177.5 0.3 . 1 . . . . 83 LEU C . 25493 1 966 . 1 1 84 84 LEU CA C 13 56.0 0.3 . 1 . . . . 83 LEU CA . 25493 1 967 . 1 1 84 84 LEU CB C 13 42.9 0.3 . 1 . . . . 83 LEU CB . 25493 1 968 . 1 1 84 84 LEU CG C 13 24.5 0.3 . 1 . . . . 83 LEU CG . 25493 1 969 . 1 1 84 84 LEU CD1 C 13 25.5 0.3 . 1 . . . . 83 LEU CD1 . 25493 1 970 . 1 1 84 84 LEU CD2 C 13 23.4 0.3 . 1 . . . . 83 LEU CD2 . 25493 1 971 . 1 1 84 84 LEU N N 15 117.9 0.3 . 1 . . . . 83 LEU N . 25493 1 972 . 1 1 85 85 ILE H H 1 7.49 0.02 . 1 . . . . 84 ILE H . 25493 1 973 . 1 1 85 85 ILE HA H 1 4.13 0.02 . 1 . . . . 84 ILE HA . 25493 1 974 . 1 1 85 85 ILE HB H 1 1.93 0.02 . 1 . . . . 84 ILE HB . 25493 1 975 . 1 1 85 85 ILE HG12 H 1 1.47 0.02 . 2 . . . . 84 ILE HG12 . 25493 1 976 . 1 1 85 85 ILE HG13 H 1 1.22 0.02 . 2 . . . . 84 ILE HG13 . 25493 1 977 . 1 1 85 85 ILE HG21 H 1 0.90 0.02 . 1 . . . . 84 ILE HG21 . 25493 1 978 . 1 1 85 85 ILE HG22 H 1 0.90 0.02 . 1 . . . . 84 ILE HG22 . 25493 1 979 . 1 1 85 85 ILE HG23 H 1 0.90 0.02 . 1 . . . . 84 ILE HG23 . 25493 1 980 . 1 1 85 85 ILE HD11 H 1 0.85 0.02 . 1 . . . . 84 ILE HD11 . 25493 1 981 . 1 1 85 85 ILE HD12 H 1 0.85 0.02 . 1 . . . . 84 ILE HD12 . 25493 1 982 . 1 1 85 85 ILE HD13 H 1 0.85 0.02 . 1 . . . . 84 ILE HD13 . 25493 1 983 . 1 1 85 85 ILE C C 13 175.9 0.3 . 1 . . . . 84 ILE C . 25493 1 984 . 1 1 85 85 ILE CA C 13 61.4 0.3 . 1 . . . . 84 ILE CA . 25493 1 985 . 1 1 85 85 ILE CB C 13 39.6 0.3 . 1 . . . . 84 ILE CB . 25493 1 986 . 1 1 85 85 ILE CG1 C 13 27.0 0.3 . 1 . . . . 84 ILE CG1 . 25493 1 987 . 1 1 85 85 ILE CG2 C 13 18.0 0.3 . 1 . . . . 84 ILE CG2 . 25493 1 988 . 1 1 85 85 ILE CD1 C 13 13.4 0.3 . 1 . . . . 84 ILE CD1 . 25493 1 989 . 1 1 85 85 ILE N N 15 115.4 0.3 . 1 . . . . 84 ILE N . 25493 1 990 . 1 1 86 86 GLU H H 1 8.09 0.02 . 1 . . . . 85 GLU H . 25493 1 991 . 1 1 86 86 GLU HA H 1 4.63 0.02 . 1 . . . . 85 GLU HA . 25493 1 992 . 1 1 86 86 GLU HB2 H 1 1.95 0.02 . 2 . . . . 85 GLU HB2 . 25493 1 993 . 1 1 86 86 GLU HB3 H 1 2.05 0.02 . 2 . . . . 85 GLU HB3 . 25493 1 994 . 1 1 86 86 GLU HG2 H 1 2.31 0.02 . 1 . . . . 85 GLU HG2 . 25493 1 995 . 1 1 86 86 GLU HG3 H 1 2.31 0.02 . 1 . . . . 85 GLU HG3 . 25493 1 996 . 1 1 86 86 GLU C C 13 174.2 0.3 . 1 . . . . 85 GLU C . 25493 1 997 . 1 1 86 86 GLU CA C 13 54.5 0.3 . 1 . . . . 85 GLU CA . 25493 1 998 . 1 1 86 86 GLU CB C 13 29.8 0.3 . 1 . . . . 85 GLU CB . 25493 1 999 . 1 1 86 86 GLU N N 15 124.0 0.3 . 1 . . . . 85 GLU N . 25493 1 1000 . 1 1 87 87 PRO HA H 1 4.33 0.02 . 1 . . . . 86 PRO HA . 25493 1 1001 . 1 1 87 87 PRO HB2 H 1 1.83 0.02 . 2 . . . . 86 PRO HB2 . 25493 1 1002 . 1 1 87 87 PRO HB3 H 1 2.27 0.02 . 2 . . . . 86 PRO HB3 . 25493 1 1003 . 1 1 87 87 PRO C C 13 177.0 0.3 . 1 . . . . 86 PRO C . 25493 1 1004 . 1 1 87 87 PRO CA C 13 63.6 0.3 . 1 . . . . 86 PRO CA . 25493 1 1005 . 1 1 87 87 PRO CB C 13 32.1 0.3 . 1 . . . . 86 PRO CB . 25493 1 1006 . 1 1 87 87 PRO CG C 13 27.6 0.3 . 1 . . . . 86 PRO CG . 25493 1 1007 . 1 1 87 87 PRO CD C 13 50.6 0.3 . 1 . . . . 86 PRO CD . 25493 1 1008 . 1 1 88 88 ALA H H 1 8.41 0.02 . 1 . . . . 87 ALA H . 25493 1 1009 . 1 1 88 88 ALA HA H 1 4.24 0.02 . 1 . . . . 87 ALA HA . 25493 1 1010 . 1 1 88 88 ALA HB1 H 1 1.34 0.02 . 1 . . . . 87 ALA HB1 . 25493 1 1011 . 1 1 88 88 ALA HB2 H 1 1.34 0.02 . 1 . . . . 87 ALA HB2 . 25493 1 1012 . 1 1 88 88 ALA HB3 H 1 1.34 0.02 . 1 . . . . 87 ALA HB3 . 25493 1 1013 . 1 1 88 88 ALA C C 13 177.0 0.3 . 1 . . . . 87 ALA C . 25493 1 1014 . 1 1 88 88 ALA CA C 13 52.8 0.3 . 1 . . . . 87 ALA CA . 25493 1 1015 . 1 1 88 88 ALA CB C 13 19.1 0.3 . 1 . . . . 87 ALA CB . 25493 1 1016 . 1 1 88 88 ALA N N 15 123.1 0.3 . 1 . . . . 87 ALA N . 25493 1 1017 . 1 1 89 89 HIS H H 1 8.19 0.02 . 1 . . . . 88 HIS H . 25493 1 1018 . 1 1 89 89 HIS HA H 1 4.60 0.02 . 1 . . . . 88 HIS HA . 25493 1 1019 . 1 1 89 89 HIS HB2 H 1 3.12 0.02 . 2 . . . . 88 HIS HB2 . 25493 1 1020 . 1 1 89 89 HIS HB3 H 1 3.04 0.02 . 2 . . . . 88 HIS HB3 . 25493 1 1021 . 1 1 89 89 HIS HD2 H 1 7.01 0.02 . 1 . . . . 88 HIS HD2 . 25493 1 1022 . 1 1 89 89 HIS C C 13 175.2 0.3 . 1 . . . . 88 HIS C . 25493 1 1023 . 1 1 89 89 HIS CA C 13 56.0 0.3 . 1 . . . . 88 HIS CA . 25493 1 1024 . 1 1 89 89 HIS CB C 13 30.5 0.3 . 1 . . . . 88 HIS CB . 25493 1 1025 . 1 1 89 89 HIS CD2 C 13 119.9 0.3 . 1 . . . . 88 HIS CD2 . 25493 1 1026 . 1 1 89 89 HIS N N 15 117.7 0.3 . 1 . . . . 88 HIS N . 25493 1 1027 . 1 1 90 90 GLN H H 1 8.22 0.02 . 1 . . . . 89 GLN H . 25493 1 1028 . 1 1 90 90 GLN HA H 1 4.25 0.02 . 1 . . . . 89 GLN HA . 25493 1 1029 . 1 1 90 90 GLN HB2 H 1 1.86 0.02 . 2 . . . . 89 GLN HB2 . 25493 1 1030 . 1 1 90 90 GLN HB3 H 1 2.02 0.02 . 2 . . . . 89 GLN HB3 . 25493 1 1031 . 1 1 90 90 GLN HG2 H 1 2.37 0.02 . 2 . . . . 89 GLN HG2 . 25493 1 1032 . 1 1 90 90 GLN HG3 H 1 2.37 0.02 . 2 . . . . 89 GLN HG3 . 25493 1 1033 . 1 1 90 90 GLN C C 13 175.5 0.3 . 1 . . . . 89 GLN C . 25493 1 1034 . 1 1 90 90 GLN CA C 13 56.0 0.3 . 1 . . . . 89 GLN CA . 25493 1 1035 . 1 1 90 90 GLN CB C 13 29.4 0.3 . 1 . . . . 89 GLN CB . 25493 1 1036 . 1 1 90 90 GLN CG C 13 33.8 0.3 . 1 . . . . 89 GLN CG . 25493 1 1037 . 1 1 90 90 GLN N N 15 121.4 0.3 . 1 . . . . 89 GLN N . 25493 1 1038 . 1 1 91 91 HIS H H 1 8.42 0.02 . 1 . . . . 90 HIS H . 25493 1 1039 . 1 1 91 91 HIS HA H 1 4.60 0.02 . 1 . . . . 90 HIS HA . 25493 1 1040 . 1 1 91 91 HIS HB2 H 1 3.10 0.02 . 1 . . . . 90 HIS HB2 . 25493 1 1041 . 1 1 91 91 HIS HB3 H 1 3.10 0.02 . 1 . . . . 90 HIS HB3 . 25493 1 1042 . 1 1 91 91 HIS C C 13 175.0 0.3 . 1 . . . . 90 HIS C . 25493 1 1043 . 1 1 91 91 HIS CA C 13 56.4 0.3 . 1 . . . . 90 HIS CA . 25493 1 1044 . 1 1 91 91 HIS CB C 13 30.5 0.3 . 1 . . . . 90 HIS CB . 25493 1 1045 . 1 1 91 91 HIS N N 15 120.5 0.3 . 1 . . . . 90 HIS N . 25493 1 1046 . 1 1 92 92 GLU H H 1 8.36 0.02 . 1 . . . . 91 GLU H . 25493 1 1047 . 1 1 92 92 GLU HA H 1 4.29 0.02 . 1 . . . . 91 GLU HA . 25493 1 1048 . 1 1 92 92 GLU HB2 H 1 1.91 0.02 . 2 . . . . 91 GLU HB2 . 25493 1 1049 . 1 1 92 92 GLU HB3 H 1 2.06 0.02 . 2 . . . . 91 GLU HB3 . 25493 1 1050 . 1 1 92 92 GLU HG2 H 1 2.24 0.02 . 1 . . . . 91 GLU HG2 . 25493 1 1051 . 1 1 92 92 GLU HG3 H 1 2.24 0.02 . 1 . . . . 91 GLU HG3 . 25493 1 1052 . 1 1 92 92 GLU C C 13 175.1 0.3 . 1 . . . . 91 GLU C . 25493 1 1053 . 1 1 92 92 GLU CA C 13 56.4 0.3 . 1 . . . . 91 GLU CA . 25493 1 1054 . 1 1 92 92 GLU CB C 13 30.5 0.3 . 1 . . . . 91 GLU CB . 25493 1 1055 . 1 1 92 92 GLU CG C 13 36.3 0.3 . 1 . . . . 91 GLU CG . 25493 1 1056 . 1 1 92 92 GLU N N 15 123.0 0.3 . 1 . . . . 91 GLU N . 25493 1 1057 . 1 1 93 93 ALA H H 1 8.01 0.02 . 1 . . . . 92 ALA H . 25493 1 1058 . 1 1 93 93 ALA HA H 1 4.10 0.02 . 1 . . . . 92 ALA HA . 25493 1 1059 . 1 1 93 93 ALA HB1 H 1 1.35 0.02 . 1 . . . . 92 ALA HB1 . 25493 1 1060 . 1 1 93 93 ALA HB2 H 1 1.35 0.02 . 1 . . . . 92 ALA HB2 . 25493 1 1061 . 1 1 93 93 ALA HB3 H 1 1.35 0.02 . 1 . . . . 92 ALA HB3 . 25493 1 1062 . 1 1 93 93 ALA C C 13 170.5 0.3 . 1 . . . . 92 ALA C . 25493 1 1063 . 1 1 93 93 ALA CA C 13 54.0 0.3 . 1 . . . . 92 ALA CA . 25493 1 1064 . 1 1 93 93 ALA CB C 13 20.1 0.3 . 1 . . . . 92 ALA CB . 25493 1 1065 . 1 1 93 93 ALA N N 15 130.9 0.3 . 1 . . . . 92 ALA N . 25493 1 stop_ save_