data_34463 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34463 _Entry.Title ; Structural and DNA Binding Properties of Mycobacterial Integration Host Factor mIHF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-11 _Entry.Accession_date 2019-12-11 _Entry.Last_release_date 2019-12-19 _Entry.Original_release_date 2019-12-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34463 stop_ 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 T. Herrmann T. . . . 34463 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34463 'transcriptional control. Mycobacterial integration host factor - mIHF is an alpha-helical protein with two DNA-binding sites' . 34463 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34463 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 324 34463 '15N chemical shifts' 111 34463 '1H chemical shifts' 674 34463 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-12-20 . original BMRB . 34463 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TOB . 34463 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34463 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.jsb.2019.107434 _Citation.PubMed_ID 31846718 _Citation.Full_citation . _Citation.Title ; Structural and DNA Binding Properties of Mycobacterial Integration Host Factor mIHF. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM JSBIEM _Citation.Journal_ISSN 1095-8657 _Citation.Journal_CSD 0803 _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 107434 _Citation.Page_last 107434 _Citation.Year 2019 _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 N. Odermatt N. T. . . 34463 1 2 M. Lelli M. . . . 34463 1 3 T. Herrmann T. . . . 34463 1 4 L. Abriata L. A. . . 34463 1 5 A. Japaridze A. . . . 34463 1 6 H. Voilquin H. . . . 34463 1 7 R. Singh R. . . . 34463 1 8 J. Piton J. . . . 34463 1 9 L. Emsley L. . . . 34463 1 10 G. Dietler G. . . . 34463 1 11 S. Cole S. T. . . 34463 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34463 _Assembly.ID 1 _Assembly.Name 'Integration host factor MIHF' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34463 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34463 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMVALPQLTDEQRAAALE KAAAARRARAELKDRLKRGG TNLTQVLKDAESDEVLGKMK VSALLEALPKVGKVKAQEIM TELEIAPTRRLRGLGDRQRK ALLEKFGSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11909.892 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34463 1 2 . SER . 34463 1 3 . HIS . 34463 1 4 . MET . 34463 1 5 . VAL . 34463 1 6 . ALA . 34463 1 7 . LEU . 34463 1 8 . PRO . 34463 1 9 . GLN . 34463 1 10 . LEU . 34463 1 11 . THR . 34463 1 12 . ASP . 34463 1 13 . GLU . 34463 1 14 . GLN . 34463 1 15 . ARG . 34463 1 16 . ALA . 34463 1 17 . ALA . 34463 1 18 . ALA . 34463 1 19 . LEU . 34463 1 20 . GLU . 34463 1 21 . LYS . 34463 1 22 . ALA . 34463 1 23 . ALA . 34463 1 24 . ALA . 34463 1 25 . ALA . 34463 1 26 . ARG . 34463 1 27 . ARG . 34463 1 28 . ALA . 34463 1 29 . ARG . 34463 1 30 . ALA . 34463 1 31 . GLU . 34463 1 32 . LEU . 34463 1 33 . LYS . 34463 1 34 . ASP . 34463 1 35 . ARG . 34463 1 36 . LEU . 34463 1 37 . LYS . 34463 1 38 . ARG . 34463 1 39 . GLY . 34463 1 40 . GLY . 34463 1 41 . THR . 34463 1 42 . ASN . 34463 1 43 . LEU . 34463 1 44 . THR . 34463 1 45 . GLN . 34463 1 46 . VAL . 34463 1 47 . LEU . 34463 1 48 . LYS . 34463 1 49 . ASP . 34463 1 50 . ALA . 34463 1 51 . GLU . 34463 1 52 . SER . 34463 1 53 . ASP . 34463 1 54 . GLU . 34463 1 55 . VAL . 34463 1 56 . LEU . 34463 1 57 . GLY . 34463 1 58 . LYS . 34463 1 59 . MET . 34463 1 60 . LYS . 34463 1 61 . VAL . 34463 1 62 . SER . 34463 1 63 . ALA . 34463 1 64 . LEU . 34463 1 65 . LEU . 34463 1 66 . GLU . 34463 1 67 . ALA . 34463 1 68 . LEU . 34463 1 69 . PRO . 34463 1 70 . LYS . 34463 1 71 . VAL . 34463 1 72 . GLY . 34463 1 73 . LYS . 34463 1 74 . VAL . 34463 1 75 . LYS . 34463 1 76 . ALA . 34463 1 77 . GLN . 34463 1 78 . GLU . 34463 1 79 . ILE . 34463 1 80 . MET . 34463 1 81 . THR . 34463 1 82 . GLU . 34463 1 83 . LEU . 34463 1 84 . GLU . 34463 1 85 . ILE . 34463 1 86 . ALA . 34463 1 87 . PRO . 34463 1 88 . THR . 34463 1 89 . ARG . 34463 1 90 . ARG . 34463 1 91 . LEU . 34463 1 92 . ARG . 34463 1 93 . GLY . 34463 1 94 . LEU . 34463 1 95 . GLY . 34463 1 96 . ASP . 34463 1 97 . ARG . 34463 1 98 . GLN . 34463 1 99 . ARG . 34463 1 100 . LYS . 34463 1 101 . ALA . 34463 1 102 . LEU . 34463 1 103 . LEU . 34463 1 104 . GLU . 34463 1 105 . LYS . 34463 1 106 . PHE . 34463 1 107 . GLY . 34463 1 108 . SER . 34463 1 109 . ALA . 34463 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 34463 1 . SER 2 2 34463 1 . HIS 3 3 34463 1 . MET 4 4 34463 1 . VAL 5 5 34463 1 . ALA 6 6 34463 1 . LEU 7 7 34463 1 . PRO 8 8 34463 1 . GLN 9 9 34463 1 . LEU 10 10 34463 1 . THR 11 11 34463 1 . ASP 12 12 34463 1 . GLU 13 13 34463 1 . GLN 14 14 34463 1 . ARG 15 15 34463 1 . ALA 16 16 34463 1 . ALA 17 17 34463 1 . ALA 18 18 34463 1 . LEU 19 19 34463 1 . GLU 20 20 34463 1 . LYS 21 21 34463 1 . ALA 22 22 34463 1 . ALA 23 23 34463 1 . ALA 24 24 34463 1 . ALA 25 25 34463 1 . ARG 26 26 34463 1 . ARG 27 27 34463 1 . ALA 28 28 34463 1 . ARG 29 29 34463 1 . ALA 30 30 34463 1 . GLU 31 31 34463 1 . LEU 32 32 34463 1 . LYS 33 33 34463 1 . ASP 34 34 34463 1 . ARG 35 35 34463 1 . LEU 36 36 34463 1 . LYS 37 37 34463 1 . ARG 38 38 34463 1 . GLY 39 39 34463 1 . GLY 40 40 34463 1 . THR 41 41 34463 1 . ASN 42 42 34463 1 . LEU 43 43 34463 1 . THR 44 44 34463 1 . GLN 45 45 34463 1 . VAL 46 46 34463 1 . LEU 47 47 34463 1 . LYS 48 48 34463 1 . ASP 49 49 34463 1 . ALA 50 50 34463 1 . GLU 51 51 34463 1 . SER 52 52 34463 1 . ASP 53 53 34463 1 . GLU 54 54 34463 1 . VAL 55 55 34463 1 . LEU 56 56 34463 1 . GLY 57 57 34463 1 . LYS 58 58 34463 1 . MET 59 59 34463 1 . LYS 60 60 34463 1 . VAL 61 61 34463 1 . SER 62 62 34463 1 . ALA 63 63 34463 1 . LEU 64 64 34463 1 . LEU 65 65 34463 1 . GLU 66 66 34463 1 . ALA 67 67 34463 1 . LEU 68 68 34463 1 . PRO 69 69 34463 1 . LYS 70 70 34463 1 . VAL 71 71 34463 1 . GLY 72 72 34463 1 . LYS 73 73 34463 1 . VAL 74 74 34463 1 . LYS 75 75 34463 1 . ALA 76 76 34463 1 . GLN 77 77 34463 1 . GLU 78 78 34463 1 . ILE 79 79 34463 1 . MET 80 80 34463 1 . THR 81 81 34463 1 . GLU 82 82 34463 1 . LEU 83 83 34463 1 . GLU 84 84 34463 1 . ILE 85 85 34463 1 . ALA 86 86 34463 1 . PRO 87 87 34463 1 . THR 88 88 34463 1 . ARG 89 89 34463 1 . ARG 90 90 34463 1 . LEU 91 91 34463 1 . ARG 92 92 34463 1 . GLY 93 93 34463 1 . LEU 94 94 34463 1 . GLY 95 95 34463 1 . ASP 96 96 34463 1 . ARG 97 97 34463 1 . GLN 98 98 34463 1 . ARG 99 99 34463 1 . LYS 100 100 34463 1 . ALA 101 101 34463 1 . LEU 102 102 34463 1 . LEU 103 103 34463 1 . GLU 104 104 34463 1 . LYS 105 105 34463 1 . PHE 106 106 34463 1 . GLY 107 107 34463 1 . SER 108 108 34463 1 . ALA 109 109 34463 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 34463 _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_1 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . 'mihF, ERS007672_05099, ERS007703_04035' . 34463 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 34463 _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_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34463 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34463 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.34 mM [U-13C; U-15N] Mycobacterial integration host factor (mIHF), 50 mM sodium phosphate, 100 mM sodium chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Mycobacterial integration host factor (mIHF)' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.34 . . mM . . . . 34463 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34463 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34463 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34463 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34463 1 pH 7.5 . pH 34463 1 pressure 1 . atm 34463 1 temperature 298 . K 34463 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34463 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34463 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34463 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34463 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34463 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34463 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34463 _Software.ID 3 _Software.Type . _Software.Name UNIO _Software.Version 2.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, T. et al.' . . 34463 3 'UNIO-ATNOS module' . . 34463 3 'UNIO-ATNOS/CANDID for automated NOE assignment' . . 34463 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34463 3 . 'data analysis' 34463 3 . 'peak picking' 34463 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34463 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1000 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34463 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34463 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 1000 . . . 34463 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 600 . . . 34463 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 34463 _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 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34463 1 2 HACACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34463 1 3 HACANH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34463 1 4 '1H-13C 3D HSQC NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34463 1 5 '1H-15N 3D HSQC NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34463 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34463 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34463 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34463 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34463 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34463 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 CBCACONH . . . 34463 1 2 HACACONH . . . 34463 1 3 HACANH . . . 34463 1 4 '1H-13C 3D HSQC NOESY' . . . 34463 1 5 '1H-15N 3D HSQC NOESY' . . . 34463 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.Ambiguity_set_ID _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 HIS HA H 1 4.616 0.00 . 1 . . . . A 3 HIS HA . 34463 1 2 . 1 1 3 3 HIS HB2 H 1 3.029 0.00 . 1 . . . . A 3 HIS HB2 . 34463 1 3 . 1 1 3 3 HIS HB3 H 1 3.092 0.00 . 1 . . . . A 3 HIS HB3 . 34463 1 4 . 1 1 3 3 HIS CA C 13 56.268 0.00 . 1 . . . . A 3 HIS CA . 34463 1 5 . 1 1 3 3 HIS CB C 13 30.616 0.00 . 1 . . . . A 3 HIS CB . 34463 1 6 . 1 1 4 4 MET H H 1 8.310 0.00 . 1 . . . . A 4 MET H . 34463 1 7 . 1 1 4 4 MET HA H 1 4.421 0.00 . 1 . . . . A 4 MET HA . 34463 1 8 . 1 1 4 4 MET HB2 H 1 2.419 0.00 . 1 . . . . A 4 MET HB2 . 34463 1 9 . 1 1 4 4 MET HB3 H 1 1.915 0.00 . 1 . . . . A 4 MET HB3 . 34463 1 10 . 1 1 4 4 MET CA C 13 55.201 0.01 . 1 . . . . A 4 MET CA . 34463 1 11 . 1 1 4 4 MET CB C 13 32.555 0.00 . 1 . . . . A 4 MET CB . 34463 1 12 . 1 1 4 4 MET N N 15 121.907 0.00 . 1 . . . . A 4 MET N . 34463 1 13 . 1 1 5 5 VAL H H 1 8.150 0.00 . 1 . . . . A 5 VAL H . 34463 1 14 . 1 1 5 5 VAL HA H 1 4.041 0.00 . 1 . . . . A 5 VAL HA . 34463 1 15 . 1 1 5 5 VAL HB H 1 2.008 0.00 . 1 . . . . A 5 VAL HB . 34463 1 16 . 1 1 5 5 VAL HG11 H 1 1.672 0.00 . 1 . . . . A 5 VAL HG11 . 34463 1 17 . 1 1 5 5 VAL HG12 H 1 1.672 0.00 . 1 . . . . A 5 VAL HG12 . 34463 1 18 . 1 1 5 5 VAL HG13 H 1 1.672 0.00 . 1 . . . . A 5 VAL HG13 . 34463 1 19 . 1 1 5 5 VAL HG21 H 1 0.899 0.00 . 1 . . . . A 5 VAL HG21 . 34463 1 20 . 1 1 5 5 VAL HG22 H 1 0.899 0.00 . 1 . . . . A 5 VAL HG22 . 34463 1 21 . 1 1 5 5 VAL HG23 H 1 0.899 0.00 . 1 . . . . A 5 VAL HG23 . 34463 1 22 . 1 1 5 5 VAL CA C 13 61.982 0.00 . 1 . . . . A 5 VAL CA . 34463 1 23 . 1 1 5 5 VAL CB C 13 32.668 0.00 . 1 . . . . A 5 VAL CB . 34463 1 24 . 1 1 5 5 VAL CG1 C 13 27.297 0.00 . 1 . . . . A 5 VAL CG1 . 34463 1 25 . 1 1 5 5 VAL CG2 C 13 19.894 0.00 . 1 . . . . A 5 VAL CG2 . 34463 1 26 . 1 1 5 5 VAL N N 15 121.862 0.00 . 1 . . . . A 5 VAL N . 34463 1 27 . 1 1 6 6 ALA H H 1 8.393 0.00 . 1 . . . . A 6 ALA H . 34463 1 28 . 1 1 6 6 ALA HA H 1 4.309 0.00 . 1 . . . . A 6 ALA HA . 34463 1 29 . 1 1 6 6 ALA HB1 H 1 1.327 0.00 . 1 . . . . A 6 ALA HB1 . 34463 1 30 . 1 1 6 6 ALA HB2 H 1 1.327 0.00 . 1 . . . . A 6 ALA HB2 . 34463 1 31 . 1 1 6 6 ALA HB3 H 1 1.327 0.00 . 1 . . . . A 6 ALA HB3 . 34463 1 32 . 1 1 6 6 ALA CA C 13 51.842 0.01 . 1 . . . . A 6 ALA CA . 34463 1 33 . 1 1 6 6 ALA CB C 13 19.101 0.00 . 1 . . . . A 6 ALA CB . 34463 1 34 . 1 1 6 6 ALA N N 15 127.942 0.00 . 1 . . . . A 6 ALA N . 34463 1 35 . 1 1 7 7 LEU H H 1 8.305 0.00 . 1 . . . . A 7 LEU H . 34463 1 36 . 1 1 7 7 LEU HA H 1 4.555 0.00 . 1 . . . . A 7 LEU HA . 34463 1 37 . 1 1 7 7 LEU HB3 H 1 2.538 0.00 . 1 . . . . A 7 LEU HB3 . 34463 1 38 . 1 1 7 7 LEU HG H 1 1.656 0.00 . 1 . . . . A 7 LEU HG . 34463 1 39 . 1 1 7 7 LEU HD21 H 1 0.899 0.00 . 1 . . . . A 7 LEU HD21 . 34463 1 40 . 1 1 7 7 LEU HD22 H 1 0.899 0.00 . 1 . . . . A 7 LEU HD22 . 34463 1 41 . 1 1 7 7 LEU HD23 H 1 0.899 0.00 . 1 . . . . A 7 LEU HD23 . 34463 1 42 . 1 1 7 7 LEU CA C 13 52.977 0.00 . 1 . . . . A 7 LEU CA . 34463 1 43 . 1 1 7 7 LEU CB C 13 33.811 0.00 . 1 . . . . A 7 LEU CB . 34463 1 44 . 1 1 7 7 LEU CG C 13 27.449 0.00 . 1 . . . . A 7 LEU CG . 34463 1 45 . 1 1 7 7 LEU CD2 C 13 23.383 0.00 . 1 . . . . A 7 LEU CD2 . 34463 1 46 . 1 1 7 7 LEU N N 15 122.994 0.00 . 1 . . . . A 7 LEU N . 34463 1 47 . 1 1 8 8 PRO HA H 1 4.374 0.00 . 1 . . . . A 8 PRO HA . 34463 1 48 . 1 1 8 8 PRO HB2 H 1 2.269 0.00 . 1 . . . . A 8 PRO HB2 . 34463 1 49 . 1 1 8 8 PRO HB3 H 1 1.844 0.00 . 1 . . . . A 8 PRO HB3 . 34463 1 50 . 1 1 8 8 PRO HG2 H 1 1.529 0.00 . 1 . . . . A 8 PRO HG2 . 34463 1 51 . 1 1 8 8 PRO HG3 H 1 1.997 0.00 . 1 . . . . A 8 PRO HG3 . 34463 1 52 . 1 1 8 8 PRO HD2 H 1 3.624 0.00 . 1 . . . . A 8 PRO HD2 . 34463 1 53 . 1 1 8 8 PRO HD3 H 1 3.816 0.00 . 1 . . . . A 8 PRO HD3 . 34463 1 54 . 1 1 8 8 PRO CA C 13 63.000 0.00 . 1 . . . . A 8 PRO CA . 34463 1 55 . 1 1 8 8 PRO CB C 13 31.840 0.00 . 1 . . . . A 8 PRO CB . 34463 1 56 . 1 1 8 8 PRO CG C 13 27.302 0.00 . 1 . . . . A 8 PRO CG . 34463 1 57 . 1 1 8 8 PRO CD C 13 50.468 0.00 . 1 . . . . A 8 PRO CD . 34463 1 58 . 1 1 9 9 GLN H H 1 8.513 0.00 . 1 . . . . A 9 GLN H . 34463 1 59 . 1 1 9 9 GLN HA H 1 4.318 0.00 . 1 . . . . A 9 GLN HA . 34463 1 60 . 1 1 9 9 GLN HB2 H 1 2.055 0.00 . 1 . . . . A 9 GLN HB2 . 34463 1 61 . 1 1 9 9 GLN HB3 H 1 1.953 0.00 . 1 . . . . A 9 GLN HB3 . 34463 1 62 . 1 1 9 9 GLN HG3 H 1 2.355 0.00 . 1 . . . . A 9 GLN HG3 . 34463 1 63 . 1 1 9 9 GLN HE22 H 1 8.756 0.00 . 1 . . . . A 9 GLN HE22 . 34463 1 64 . 1 1 9 9 GLN CA C 13 55.261 0.00 . 1 . . . . A 9 GLN CA . 34463 1 65 . 1 1 9 9 GLN CB C 13 29.308 0.00 . 1 . . . . A 9 GLN CB . 34463 1 66 . 1 1 9 9 GLN CG C 13 33.646 0.00 . 1 . . . . A 9 GLN CG . 34463 1 67 . 1 1 9 9 GLN N N 15 120.303 0.00 . 1 . . . . A 9 GLN N . 34463 1 68 . 1 1 9 9 GLN NE2 N 15 120.496 0.00 . 1 . . . . A 9 GLN NE2 . 34463 1 69 . 1 1 10 10 LEU H H 1 8.272 0.00 . 1 . . . . A 10 LEU H . 34463 1 70 . 1 1 10 10 LEU HA H 1 4.582 0.00 . 1 . . . . A 10 LEU HA . 34463 1 71 . 1 1 10 10 LEU HB2 H 1 1.628 0.00 . 1 . . . . A 10 LEU HB2 . 34463 1 72 . 1 1 10 10 LEU HB3 H 1 1.577 0.00 . 1 . . . . A 10 LEU HB3 . 34463 1 73 . 1 1 10 10 LEU HG H 1 2.000 0.00 . 1 . . . . A 10 LEU HG . 34463 1 74 . 1 1 10 10 LEU HD11 H 1 1.153 0.00 . 1 . . . . A 10 LEU HD11 . 34463 1 75 . 1 1 10 10 LEU HD12 H 1 1.153 0.00 . 1 . . . . A 10 LEU HD12 . 34463 1 76 . 1 1 10 10 LEU HD13 H 1 1.153 0.00 . 1 . . . . A 10 LEU HD13 . 34463 1 77 . 1 1 10 10 LEU HD21 H 1 0.823 0.00 . 1 . . . . A 10 LEU HD21 . 34463 1 78 . 1 1 10 10 LEU HD22 H 1 0.823 0.00 . 1 . . . . A 10 LEU HD22 . 34463 1 79 . 1 1 10 10 LEU HD23 H 1 0.823 0.00 . 1 . . . . A 10 LEU HD23 . 34463 1 80 . 1 1 10 10 LEU CA C 13 54.700 0.01 . 1 . . . . A 10 LEU CA . 34463 1 81 . 1 1 10 10 LEU CB C 13 43.084 0.00 . 1 . . . . A 10 LEU CB . 34463 1 82 . 1 1 10 10 LEU CG C 13 28.852 0.00 . 1 . . . . A 10 LEU CG . 34463 1 83 . 1 1 10 10 LEU CD1 C 13 27.203 0.00 . 1 . . . . A 10 LEU CD1 . 34463 1 84 . 1 1 10 10 LEU CD2 C 13 23.145 0.00 . 1 . . . . A 10 LEU CD2 . 34463 1 85 . 1 1 10 10 LEU N N 15 123.390 0.00 . 1 . . . . A 10 LEU N . 34463 1 86 . 1 1 11 11 THR H H 1 8.582 0.00 . 1 . . . . A 11 THR H . 34463 1 87 . 1 1 11 11 THR HA H 1 4.434 0.00 . 1 . . . . A 11 THR HA . 34463 1 88 . 1 1 11 11 THR HB H 1 4.688 0.00 . 1 . . . . A 11 THR HB . 34463 1 89 . 1 1 11 11 THR HG21 H 1 1.291 0.00 . 1 . . . . A 11 THR HG21 . 34463 1 90 . 1 1 11 11 THR HG22 H 1 1.291 0.00 . 1 . . . . A 11 THR HG22 . 34463 1 91 . 1 1 11 11 THR HG23 H 1 1.291 0.00 . 1 . . . . A 11 THR HG23 . 34463 1 92 . 1 1 11 11 THR CA C 13 60.805 0.01 . 1 . . . . A 11 THR CA . 34463 1 93 . 1 1 11 11 THR CB C 13 70.839 0.00 . 1 . . . . A 11 THR CB . 34463 1 94 . 1 1 11 11 THR CG2 C 13 21.598 0.00 . 1 . . . . A 11 THR CG2 . 34463 1 95 . 1 1 11 11 THR N N 15 113.227 0.00 . 1 . . . . A 11 THR N . 34463 1 96 . 1 1 12 12 ASP H H 1 9.011 0.00 . 1 . . . . A 12 ASP H . 34463 1 97 . 1 1 12 12 ASP HA H 1 4.348 0.00 . 1 . . . . A 12 ASP HA . 34463 1 98 . 1 1 12 12 ASP HB2 H 1 2.651 0.00 . 1 . . . . A 12 ASP HB2 . 34463 1 99 . 1 1 12 12 ASP HB3 H 1 2.703 0.00 . 1 . . . . A 12 ASP HB3 . 34463 1 100 . 1 1 12 12 ASP CA C 13 57.504 0.00 . 1 . . . . A 12 ASP CA . 34463 1 101 . 1 1 12 12 ASP CB C 13 39.706 0.00 . 1 . . . . A 12 ASP CB . 34463 1 102 . 1 1 12 12 ASP N N 15 121.425 0.00 . 1 . . . . A 12 ASP N . 34463 1 103 . 1 1 13 13 GLU H H 1 8.857 0.00 . 1 . . . . A 13 GLU H . 34463 1 104 . 1 1 13 13 GLU HA H 1 4.096 0.00 . 1 . . . . A 13 GLU HA . 34463 1 105 . 1 1 13 13 GLU HB2 H 1 2.063 0.00 . 1 . . . . A 13 GLU HB2 . 34463 1 106 . 1 1 13 13 GLU HB3 H 1 1.960 0.00 . 1 . . . . A 13 GLU HB3 . 34463 1 107 . 1 1 13 13 GLU HG3 H 1 2.331 0.00 . 1 . . . . A 13 GLU HG3 . 34463 1 108 . 1 1 13 13 GLU CA C 13 59.676 0.00 . 1 . . . . A 13 GLU CA . 34463 1 109 . 1 1 13 13 GLU CB C 13 29.098 0.00 . 1 . . . . A 13 GLU CB . 34463 1 110 . 1 1 13 13 GLU CG C 13 36.570 0.00 . 1 . . . . A 13 GLU CG . 34463 1 111 . 1 1 13 13 GLU N N 15 120.406 0.00 . 1 . . . . A 13 GLU N . 34463 1 112 . 1 1 14 14 GLN H H 1 7.933 0.00 . 1 . . . . A 14 GLN H . 34463 1 113 . 1 1 14 14 GLN HA H 1 4.116 0.00 . 1 . . . . A 14 GLN HA . 34463 1 114 . 1 1 14 14 GLN HB2 H 1 2.353 0.00 . 1 . . . . A 14 GLN HB2 . 34463 1 115 . 1 1 14 14 GLN HB3 H 1 1.498 0.00 . 1 . . . . A 14 GLN HB3 . 34463 1 116 . 1 1 14 14 GLN HG2 H 1 1.994 0.00 . 1 . . . . A 14 GLN HG2 . 34463 1 117 . 1 1 14 14 GLN HG3 H 1 2.444 0.00 . 1 . . . . A 14 GLN HG3 . 34463 1 118 . 1 1 14 14 GLN HE22 H 1 8.581 0.00 . 1 . . . . A 14 GLN HE22 . 34463 1 119 . 1 1 14 14 GLN CA C 13 58.328 0.01 . 1 . . . . A 14 GLN CA . 34463 1 120 . 1 1 14 14 GLN CB C 13 28.893 0.00 . 1 . . . . A 14 GLN CB . 34463 1 121 . 1 1 14 14 GLN CG C 13 34.391 0.00 . 1 . . . . A 14 GLN CG . 34463 1 122 . 1 1 14 14 GLN N N 15 120.139 0.00 . 1 . . . . A 14 GLN N . 34463 1 123 . 1 1 14 14 GLN NE2 N 15 113.170 0.00 . 1 . . . . A 14 GLN NE2 . 34463 1 124 . 1 1 15 15 ARG H H 1 8.694 0.00 . 1 . . . . A 15 ARG H . 34463 1 125 . 1 1 15 15 ARG HA H 1 4.005 0.00 . 1 . . . . A 15 ARG HA . 34463 1 126 . 1 1 15 15 ARG HB2 H 1 1.903 0.00 . 1 . . . . A 15 ARG HB2 . 34463 1 127 . 1 1 15 15 ARG HG2 H 1 1.746 0.00 . 1 . . . . A 15 ARG HG2 . 34463 1 128 . 1 1 15 15 ARG HG3 H 1 1.590 0.00 . 1 . . . . A 15 ARG HG3 . 34463 1 129 . 1 1 15 15 ARG HD2 H 1 4.849 0.00 . 1 . . . . A 15 ARG HD2 . 34463 1 130 . 1 1 15 15 ARG HD3 H 1 3.193 0.00 . 1 . . . . A 15 ARG HD3 . 34463 1 131 . 1 1 15 15 ARG CA C 13 59.526 0.01 . 1 . . . . A 15 ARG CA . 34463 1 132 . 1 1 15 15 ARG CB C 13 30.009 0.00 . 1 . . . . A 15 ARG CB . 34463 1 133 . 1 1 15 15 ARG CG C 13 28.308 0.00 . 1 . . . . A 15 ARG CG . 34463 1 134 . 1 1 15 15 ARG CD C 13 43.250 0.00 . 1 . . . . A 15 ARG CD . 34463 1 135 . 1 1 15 15 ARG N N 15 121.751 0.00 . 1 . . . . A 15 ARG N . 34463 1 136 . 1 1 16 16 ALA H H 1 8.167 0.00 . 1 . . . . A 16 ALA H . 34463 1 137 . 1 1 16 16 ALA HA H 1 4.140 0.00 . 1 . . . . A 16 ALA HA . 34463 1 138 . 1 1 16 16 ALA HB1 H 1 1.504 0.00 . 1 . . . . A 16 ALA HB1 . 34463 1 139 . 1 1 16 16 ALA HB2 H 1 1.504 0.00 . 1 . . . . A 16 ALA HB2 . 34463 1 140 . 1 1 16 16 ALA HB3 H 1 1.504 0.00 . 1 . . . . A 16 ALA HB3 . 34463 1 141 . 1 1 16 16 ALA CA C 13 54.991 0.00 . 1 . . . . A 16 ALA CA . 34463 1 142 . 1 1 16 16 ALA CB C 13 17.696 0.00 . 1 . . . . A 16 ALA CB . 34463 1 143 . 1 1 16 16 ALA N N 15 121.506 0.00 . 1 . . . . A 16 ALA N . 34463 1 144 . 1 1 17 17 ALA H H 1 8.002 0.00 . 1 . . . . A 17 ALA H . 34463 1 145 . 1 1 17 17 ALA HA H 1 4.215 0.00 . 1 . . . . A 17 ALA HA . 34463 1 146 . 1 1 17 17 ALA HB1 H 1 1.916 0.00 . 1 . . . . A 17 ALA HB1 . 34463 1 147 . 1 1 17 17 ALA HB2 H 1 1.916 0.00 . 1 . . . . A 17 ALA HB2 . 34463 1 148 . 1 1 17 17 ALA HB3 H 1 1.916 0.00 . 1 . . . . A 17 ALA HB3 . 34463 1 149 . 1 1 17 17 ALA CA C 13 54.673 0.00 . 1 . . . . A 17 ALA CA . 34463 1 150 . 1 1 17 17 ALA CB C 13 17.771 0.00 . 1 . . . . A 17 ALA CB . 34463 1 151 . 1 1 17 17 ALA N N 15 120.759 0.00 . 1 . . . . A 17 ALA N . 34463 1 152 . 1 1 18 18 ALA H H 1 7.941 0.00 . 1 . . . . A 18 ALA H . 34463 1 153 . 1 1 18 18 ALA HB1 H 1 1.497 0.00 . 1 . . . . A 18 ALA HB1 . 34463 1 154 . 1 1 18 18 ALA HB2 H 1 1.497 0.00 . 1 . . . . A 18 ALA HB2 . 34463 1 155 . 1 1 18 18 ALA HB3 H 1 1.497 0.00 . 1 . . . . A 18 ALA HB3 . 34463 1 156 . 1 1 18 18 ALA CB C 13 17.935 0.00 . 1 . . . . A 18 ALA CB . 34463 1 157 . 1 1 18 18 ALA N N 15 121.246 0.00 . 1 . . . . A 18 ALA N . 34463 1 158 . 1 1 19 19 LEU H H 1 6.972 0.00 . 1 . . . . A 19 LEU H . 34463 1 159 . 1 1 19 19 LEU HA H 1 4.169 0.00 . 1 . . . . A 19 LEU HA . 34463 1 160 . 1 1 19 19 LEU HB2 H 1 1.915 0.00 . 1 . . . . A 19 LEU HB2 . 34463 1 161 . 1 1 19 19 LEU HB3 H 1 1.626 0.00 . 1 . . . . A 19 LEU HB3 . 34463 1 162 . 1 1 19 19 LEU HG H 1 1.796 0.00 . 1 . . . . A 19 LEU HG . 34463 1 163 . 1 1 19 19 LEU HD11 H 1 1.141 0.00 . 1 . . . . A 19 LEU HD11 . 34463 1 164 . 1 1 19 19 LEU HD12 H 1 1.141 0.00 . 1 . . . . A 19 LEU HD12 . 34463 1 165 . 1 1 19 19 LEU HD13 H 1 1.141 0.00 . 1 . . . . A 19 LEU HD13 . 34463 1 166 . 1 1 19 19 LEU HD21 H 1 0.893 0.00 . 1 . . . . A 19 LEU HD21 . 34463 1 167 . 1 1 19 19 LEU HD22 H 1 0.893 0.00 . 1 . . . . A 19 LEU HD22 . 34463 1 168 . 1 1 19 19 LEU HD23 H 1 0.893 0.00 . 1 . . . . A 19 LEU HD23 . 34463 1 169 . 1 1 19 19 LEU CA C 13 57.793 0.00 . 1 . . . . A 19 LEU CA . 34463 1 170 . 1 1 19 19 LEU CB C 13 41.553 0.00 . 1 . . . . A 19 LEU CB . 34463 1 171 . 1 1 19 19 LEU CG C 13 26.791 0.00 . 1 . . . . A 19 LEU CG . 34463 1 172 . 1 1 19 19 LEU CD1 C 13 20.070 0.00 . 1 . . . . A 19 LEU CD1 . 34463 1 173 . 1 1 19 19 LEU CD2 C 13 23.158 0.00 . 1 . . . . A 19 LEU CD2 . 34463 1 174 . 1 1 19 19 LEU N N 15 115.858 0.00 . 1 . . . . A 19 LEU N . 34463 1 175 . 1 1 20 20 GLU H H 1 8.059 0.00 . 1 . . . . A 20 GLU H . 34463 1 176 . 1 1 20 20 GLU HA H 1 4.199 0.00 . 1 . . . . A 20 GLU HA . 34463 1 177 . 1 1 20 20 GLU HB2 H 1 2.107 0.00 . 1 . . . . A 20 GLU HB2 . 34463 1 178 . 1 1 20 20 GLU HB3 H 1 2.143 0.00 . 1 . . . . A 20 GLU HB3 . 34463 1 179 . 1 1 20 20 GLU HG3 H 1 2.324 0.00 . 1 . . . . A 20 GLU HG3 . 34463 1 180 . 1 1 20 20 GLU CA C 13 58.856 0.02 . 1 . . . . A 20 GLU CA . 34463 1 181 . 1 1 20 20 GLU CB C 13 28.944 0.00 . 1 . . . . A 20 GLU CB . 34463 1 182 . 1 1 20 20 GLU CG C 13 35.658 0.00 . 1 . . . . A 20 GLU CG . 34463 1 183 . 1 1 20 20 GLU N N 15 120.793 0.00 . 1 . . . . A 20 GLU N . 34463 1 184 . 1 1 21 21 LYS H H 1 8.142 0.00 . 1 . . . . A 21 LYS H . 34463 1 185 . 1 1 21 21 LYS HA H 1 4.126 0.00 . 1 . . . . A 21 LYS HA . 34463 1 186 . 1 1 21 21 LYS HB2 H 1 1.925 0.00 . 1 . . . . A 21 LYS HB2 . 34463 1 187 . 1 1 21 21 LYS HB3 H 1 1.527 0.00 . 1 . . . . A 21 LYS HB3 . 34463 1 188 . 1 1 21 21 LYS HG2 H 1 0.734 0.00 . 1 . . . . A 21 LYS HG2 . 34463 1 189 . 1 1 21 21 LYS HG3 H 1 1.677 0.00 . 1 . . . . A 21 LYS HG3 . 34463 1 190 . 1 1 21 21 LYS HD2 H 1 1.563 0.00 . 1 . . . . A 21 LYS HD2 . 34463 1 191 . 1 1 21 21 LYS HD3 H 1 2.221 0.00 . 1 . . . . A 21 LYS HD3 . 34463 1 192 . 1 1 21 21 LYS HE2 H 1 3.181 0.00 . 1 . . . . A 21 LYS HE2 . 34463 1 193 . 1 1 21 21 LYS HE3 H 1 3.272 0.00 . 1 . . . . A 21 LYS HE3 . 34463 1 194 . 1 1 21 21 LYS CA C 13 59.339 0.02 . 1 . . . . A 21 LYS CA . 34463 1 195 . 1 1 21 21 LYS CB C 13 32.376 0.00 . 1 . . . . A 21 LYS CB . 34463 1 196 . 1 1 21 21 LYS CG C 13 26.892 0.00 . 1 . . . . A 21 LYS CG . 34463 1 197 . 1 1 21 21 LYS CD C 13 27.076 0.00 . 1 . . . . A 21 LYS CD . 34463 1 198 . 1 1 21 21 LYS CE C 13 43.492 0.00 . 1 . . . . A 21 LYS CE . 34463 1 199 . 1 1 21 21 LYS N N 15 120.651 0.00 . 1 . . . . A 21 LYS N . 34463 1 200 . 1 1 22 22 ALA H H 1 7.943 0.00 . 1 . . . . A 22 ALA H . 34463 1 201 . 1 1 22 22 ALA HA H 1 4.261 0.00 . 1 . . . . A 22 ALA HA . 34463 1 202 . 1 1 22 22 ALA HB1 H 1 1.363 0.00 . 1 . . . . A 22 ALA HB1 . 34463 1 203 . 1 1 22 22 ALA HB2 H 1 1.363 0.00 . 1 . . . . A 22 ALA HB2 . 34463 1 204 . 1 1 22 22 ALA HB3 H 1 1.363 0.00 . 1 . . . . A 22 ALA HB3 . 34463 1 205 . 1 1 22 22 ALA CA C 13 54.686 0.03 . 1 . . . . A 22 ALA CA . 34463 1 206 . 1 1 22 22 ALA CB C 13 17.824 0.00 . 1 . . . . A 22 ALA CB . 34463 1 207 . 1 1 22 22 ALA N N 15 121.932 0.00 . 1 . . . . A 22 ALA N . 34463 1 208 . 1 1 23 23 ALA H H 1 8.201 0.00 . 1 . . . . A 23 ALA H . 34463 1 209 . 1 1 23 23 ALA HA H 1 4.122 0.00 . 1 . . . . A 23 ALA HA . 34463 1 210 . 1 1 23 23 ALA HB1 H 1 1.531 0.00 . 1 . . . . A 23 ALA HB1 . 34463 1 211 . 1 1 23 23 ALA HB2 H 1 1.531 0.00 . 1 . . . . A 23 ALA HB2 . 34463 1 212 . 1 1 23 23 ALA HB3 H 1 1.531 0.00 . 1 . . . . A 23 ALA HB3 . 34463 1 213 . 1 1 23 23 ALA CA C 13 54.950 0.00 . 1 . . . . A 23 ALA CA . 34463 1 214 . 1 1 23 23 ALA CB C 13 17.755 0.00 . 1 . . . . A 23 ALA CB . 34463 1 215 . 1 1 23 23 ALA N N 15 122.128 0.00 . 1 . . . . A 23 ALA N . 34463 1 216 . 1 1 24 24 ALA H H 1 8.392 0.00 . 1 . . . . A 24 ALA H . 34463 1 217 . 1 1 24 24 ALA HA H 1 4.080 0.00 . 1 . . . . A 24 ALA HA . 34463 1 218 . 1 1 24 24 ALA HB1 H 1 1.115 0.00 . 1 . . . . A 24 ALA HB1 . 34463 1 219 . 1 1 24 24 ALA HB2 H 1 1.115 0.00 . 1 . . . . A 24 ALA HB2 . 34463 1 220 . 1 1 24 24 ALA HB3 H 1 1.115 0.00 . 1 . . . . A 24 ALA HB3 . 34463 1 221 . 1 1 24 24 ALA CA C 13 54.927 0.01 . 1 . . . . A 24 ALA CA . 34463 1 222 . 1 1 24 24 ALA CB C 13 17.654 0.00 . 1 . . . . A 24 ALA CB . 34463 1 223 . 1 1 24 24 ALA N N 15 121.750 0.00 . 1 . . . . A 24 ALA N . 34463 1 224 . 1 1 25 25 ALA H H 1 7.975 0.00 . 1 . . . . A 25 ALA H . 34463 1 225 . 1 1 25 25 ALA HA H 1 4.195 0.00 . 1 . . . . A 25 ALA HA . 34463 1 226 . 1 1 25 25 ALA HB1 H 1 1.316 0.00 . 1 . . . . A 25 ALA HB1 . 34463 1 227 . 1 1 25 25 ALA HB2 H 1 1.316 0.00 . 1 . . . . A 25 ALA HB2 . 34463 1 228 . 1 1 25 25 ALA HB3 H 1 1.316 0.00 . 1 . . . . A 25 ALA HB3 . 34463 1 229 . 1 1 25 25 ALA CA C 13 54.834 0.04 . 1 . . . . A 25 ALA CA . 34463 1 230 . 1 1 25 25 ALA CB C 13 17.817 0.00 . 1 . . . . A 25 ALA CB . 34463 1 231 . 1 1 25 25 ALA N N 15 122.208 0.00 . 1 . . . . A 25 ALA N . 34463 1 232 . 1 1 26 26 ARG H H 1 8.007 0.00 . 1 . . . . A 26 ARG H . 34463 1 233 . 1 1 26 26 ARG HA H 1 3.959 0.01 . 1 . . . . A 26 ARG HA . 34463 1 234 . 1 1 26 26 ARG HB2 H 1 1.859 0.00 . 1 . . . . A 26 ARG HB2 . 34463 1 235 . 1 1 26 26 ARG HG2 H 1 1.655 0.00 . 1 . . . . A 26 ARG HG2 . 34463 1 236 . 1 1 26 26 ARG HG3 H 1 0.846 0.00 . 1 . . . . A 26 ARG HG3 . 34463 1 237 . 1 1 26 26 ARG HD3 H 1 3.307 0.00 . 1 . . . . A 26 ARG HD3 . 34463 1 238 . 1 1 26 26 ARG CA C 13 59.703 0.00 . 1 . . . . A 26 ARG CA . 34463 1 239 . 1 1 26 26 ARG CB C 13 29.934 0.00 . 1 . . . . A 26 ARG CB . 34463 1 240 . 1 1 26 26 ARG CG C 13 25.826 0.00 . 1 . . . . A 26 ARG CG . 34463 1 241 . 1 1 26 26 ARG CD C 13 43.472 0.00 . 1 . . . . A 26 ARG CD . 34463 1 242 . 1 1 26 26 ARG N N 15 118.319 0.00 . 1 . . . . A 26 ARG N . 34463 1 243 . 1 1 27 27 ARG H H 1 8.136 0.00 . 1 . . . . A 27 ARG H . 34463 1 244 . 1 1 27 27 ARG HG3 H 1 1.490 0.00 . 1 . . . . A 27 ARG HG3 . 34463 1 245 . 1 1 27 27 ARG CG C 13 24.648 0.00 . 1 . . . . A 27 ARG CG . 34463 1 246 . 1 1 27 27 ARG N N 15 120.303 0.00 . 1 . . . . A 27 ARG N . 34463 1 247 . 1 1 30 30 ALA HA H 1 4.091 0.00 . 1 . . . . A 30 ALA HA . 34463 1 248 . 1 1 30 30 ALA HB1 H 1 1.964 0.00 . 1 . . . . A 30 ALA HB1 . 34463 1 249 . 1 1 30 30 ALA HB2 H 1 1.964 0.00 . 1 . . . . A 30 ALA HB2 . 34463 1 250 . 1 1 30 30 ALA HB3 H 1 1.964 0.00 . 1 . . . . A 30 ALA HB3 . 34463 1 251 . 1 1 30 30 ALA CA C 13 55.058 0.00 . 1 . . . . A 30 ALA CA . 34463 1 252 . 1 1 30 30 ALA CB C 13 17.834 0.00 . 1 . . . . A 30 ALA CB . 34463 1 253 . 1 1 31 31 GLU H H 1 8.357 0.00 . 1 . . . . A 31 GLU H . 34463 1 254 . 1 1 31 31 GLU HA H 1 4.090 0.00 . 1 . . . . A 31 GLU HA . 34463 1 255 . 1 1 31 31 GLU HB2 H 1 2.052 0.00 . 1 . . . . A 31 GLU HB2 . 34463 1 256 . 1 1 31 31 GLU HB3 H 1 1.707 0.00 . 1 . . . . A 31 GLU HB3 . 34463 1 257 . 1 1 31 31 GLU HG2 H 1 2.262 0.00 . 1 . . . . A 31 GLU HG2 . 34463 1 258 . 1 1 31 31 GLU HG3 H 1 2.450 0.00 . 1 . . . . A 31 GLU HG3 . 34463 1 259 . 1 1 31 31 GLU CA C 13 58.894 0.00 . 1 . . . . A 31 GLU CA . 34463 1 260 . 1 1 31 31 GLU CB C 13 29.127 0.00 . 1 . . . . A 31 GLU CB . 34463 1 261 . 1 1 31 31 GLU CG C 13 36.417 0.00 . 1 . . . . A 31 GLU CG . 34463 1 262 . 1 1 31 31 GLU N N 15 118.958 0.00 . 1 . . . . A 31 GLU N . 34463 1 263 . 1 1 32 32 LEU H H 1 7.819 0.00 . 1 . . . . A 32 LEU H . 34463 1 264 . 1 1 32 32 LEU HA H 1 4.042 0.00 . 1 . . . . A 32 LEU HA . 34463 1 265 . 1 1 32 32 LEU HB2 H 1 1.633 0.00 . 1 . . . . A 32 LEU HB2 . 34463 1 266 . 1 1 32 32 LEU HB3 H 1 1.880 0.00 . 1 . . . . A 32 LEU HB3 . 34463 1 267 . 1 1 32 32 LEU HG H 1 1.489 0.00 . 1 . . . . A 32 LEU HG . 34463 1 268 . 1 1 32 32 LEU HD11 H 1 0.832 0.00 . 1 . . . . A 32 LEU HD11 . 34463 1 269 . 1 1 32 32 LEU HD12 H 1 0.832 0.00 . 1 . . . . A 32 LEU HD12 . 34463 1 270 . 1 1 32 32 LEU HD13 H 1 0.832 0.00 . 1 . . . . A 32 LEU HD13 . 34463 1 271 . 1 1 32 32 LEU HD21 H 1 0.837 0.00 . 1 . . . . A 32 LEU HD21 . 34463 1 272 . 1 1 32 32 LEU HD22 H 1 0.837 0.00 . 1 . . . . A 32 LEU HD22 . 34463 1 273 . 1 1 32 32 LEU HD23 H 1 0.837 0.00 . 1 . . . . A 32 LEU HD23 . 34463 1 274 . 1 1 32 32 LEU CA C 13 57.731 0.03 . 1 . . . . A 32 LEU CA . 34463 1 275 . 1 1 32 32 LEU CB C 13 41.143 0.00 . 1 . . . . A 32 LEU CB . 34463 1 276 . 1 1 32 32 LEU CG C 13 27.052 0.00 . 1 . . . . A 32 LEU CG . 34463 1 277 . 1 1 32 32 LEU CD1 C 13 25.678 0.00 . 1 . . . . A 32 LEU CD1 . 34463 1 278 . 1 1 32 32 LEU CD2 C 13 23.563 0.00 . 1 . . . . A 32 LEU CD2 . 34463 1 279 . 1 1 32 32 LEU N N 15 120.972 0.00 . 1 . . . . A 32 LEU N . 34463 1 280 . 1 1 33 33 LYS H H 1 8.102 0.00 . 1 . . . . A 33 LYS H . 34463 1 281 . 1 1 33 33 LYS HA H 1 3.857 0.00 . 1 . . . . A 33 LYS HA . 34463 1 282 . 1 1 33 33 LYS HB2 H 1 1.929 0.00 . 1 . . . . A 33 LYS HB2 . 34463 1 283 . 1 1 33 33 LYS HB3 H 1 2.116 0.00 . 1 . . . . A 33 LYS HB3 . 34463 1 284 . 1 1 33 33 LYS HG2 H 1 1.303 0.00 . 1 . . . . A 33 LYS HG2 . 34463 1 285 . 1 1 33 33 LYS HG3 H 1 1.695 0.00 . 1 . . . . A 33 LYS HG3 . 34463 1 286 . 1 1 33 33 LYS HD3 H 1 1.447 0.00 . 1 . . . . A 33 LYS HD3 . 34463 1 287 . 1 1 33 33 LYS CA C 13 60.351 0.01 . 1 . . . . A 33 LYS CA . 34463 1 288 . 1 1 33 33 LYS CB C 13 31.958 0.00 . 1 . . . . A 33 LYS CB . 34463 1 289 . 1 1 33 33 LYS CG C 13 25.558 0.00 . 1 . . . . A 33 LYS CG . 34463 1 290 . 1 1 33 33 LYS CD C 13 25.285 0.00 . 1 . . . . A 33 LYS CD . 34463 1 291 . 1 1 33 33 LYS N N 15 117.817 0.00 . 1 . . . . A 33 LYS N . 34463 1 292 . 1 1 34 34 ASP H H 1 7.835 0.00 . 1 . . . . A 34 ASP H . 34463 1 293 . 1 1 34 34 ASP HA H 1 4.429 0.00 . 1 . . . . A 34 ASP HA . 34463 1 294 . 1 1 34 34 ASP HB2 H 1 2.725 0.00 . 1 . . . . A 34 ASP HB2 . 34463 1 295 . 1 1 34 34 ASP HB3 H 1 2.935 0.00 . 1 . . . . A 34 ASP HB3 . 34463 1 296 . 1 1 34 34 ASP CA C 13 57.478 0.01 . 1 . . . . A 34 ASP CA . 34463 1 297 . 1 1 34 34 ASP CB C 13 41.241 0.00 . 1 . . . . A 34 ASP CB . 34463 1 298 . 1 1 34 34 ASP N N 15 118.771 0.00 . 1 . . . . A 34 ASP N . 34463 1 299 . 1 1 35 35 ARG H H 1 8.183 0.00 . 1 . . . . A 35 ARG H . 34463 1 300 . 1 1 35 35 ARG HA H 1 3.983 0.00 . 1 . . . . A 35 ARG HA . 34463 1 301 . 1 1 35 35 ARG HB2 H 1 1.726 0.00 . 1 . . . . A 35 ARG HB2 . 34463 1 302 . 1 1 35 35 ARG HB3 H 1 1.952 0.00 . 1 . . . . A 35 ARG HB3 . 34463 1 303 . 1 1 35 35 ARG HG2 H 1 1.854 0.00 . 1 . . . . A 35 ARG HG2 . 34463 1 304 . 1 1 35 35 ARG HG3 H 1 1.490 0.00 . 1 . . . . A 35 ARG HG3 . 34463 1 305 . 1 1 35 35 ARG HD2 H 1 3.271 0.00 . 1 . . . . A 35 ARG HD2 . 34463 1 306 . 1 1 35 35 ARG HD3 H 1 3.126 0.00 . 1 . . . . A 35 ARG HD3 . 34463 1 307 . 1 1 35 35 ARG HE H 1 7.923 0.00 . 1 . . . . A 35 ARG HE . 34463 1 308 . 1 1 35 35 ARG HH22 H 1 7.503 0.00 . 1 . . . . A 35 ARG HH22 . 34463 1 309 . 1 1 35 35 ARG CA C 13 59.675 0.02 . 1 . . . . A 35 ARG CA . 34463 1 310 . 1 1 35 35 ARG CB C 13 30.618 0.00 . 1 . . . . A 35 ARG CB . 34463 1 311 . 1 1 35 35 ARG CG C 13 28.057 0.00 . 1 . . . . A 35 ARG CG . 34463 1 312 . 1 1 35 35 ARG CD C 13 43.603 0.00 . 1 . . . . A 35 ARG CD . 34463 1 313 . 1 1 35 35 ARG N N 15 119.322 0.00 . 1 . . . . A 35 ARG N . 34463 1 314 . 1 1 35 35 ARG NE N 15 85.626 0.00 . 1 . . . . A 35 ARG NE . 34463 1 315 . 1 1 35 35 ARG NH2 N 15 78.283 0.00 . 1 . . . . A 35 ARG NH2 . 34463 1 316 . 1 1 36 36 LEU H H 1 8.550 0.00 . 1 . . . . A 36 LEU H . 34463 1 317 . 1 1 36 36 LEU HA H 1 3.959 0.00 . 1 . . . . A 36 LEU HA . 34463 1 318 . 1 1 36 36 LEU HB2 H 1 1.382 0.00 . 1 . . . . A 36 LEU HB2 . 34463 1 319 . 1 1 36 36 LEU HB3 H 1 1.895 0.00 . 1 . . . . A 36 LEU HB3 . 34463 1 320 . 1 1 36 36 LEU HG H 1 1.530 0.00 . 1 . . . . A 36 LEU HG . 34463 1 321 . 1 1 36 36 LEU HD11 H 1 1.614 0.00 . 1 . . . . A 36 LEU HD11 . 34463 1 322 . 1 1 36 36 LEU HD12 H 1 1.614 0.00 . 1 . . . . A 36 LEU HD12 . 34463 1 323 . 1 1 36 36 LEU HD13 H 1 1.614 0.00 . 1 . . . . A 36 LEU HD13 . 34463 1 324 . 1 1 36 36 LEU HD21 H 1 0.667 0.00 . 1 . . . . A 36 LEU HD21 . 34463 1 325 . 1 1 36 36 LEU HD22 H 1 0.667 0.00 . 1 . . . . A 36 LEU HD22 . 34463 1 326 . 1 1 36 36 LEU HD23 H 1 0.667 0.00 . 1 . . . . A 36 LEU HD23 . 34463 1 327 . 1 1 36 36 LEU CA C 13 57.471 0.02 . 1 . . . . A 36 LEU CA . 34463 1 328 . 1 1 36 36 LEU CB C 13 42.016 0.00 . 1 . . . . A 36 LEU CB . 34463 1 329 . 1 1 36 36 LEU CG C 13 26.855 0.00 . 1 . . . . A 36 LEU CG . 34463 1 330 . 1 1 36 36 LEU CD1 C 13 26.229 0.00 . 1 . . . . A 36 LEU CD1 . 34463 1 331 . 1 1 36 36 LEU CD2 C 13 23.350 0.00 . 1 . . . . A 36 LEU CD2 . 34463 1 332 . 1 1 36 36 LEU N N 15 119.380 0.00 . 1 . . . . A 36 LEU N . 34463 1 333 . 1 1 37 37 LYS H H 1 8.070 0.00 . 1 . . . . A 37 LYS H . 34463 1 334 . 1 1 37 37 LYS HA H 1 4.068 0.00 . 1 . . . . A 37 LYS HA . 34463 1 335 . 1 1 37 37 LYS HB2 H 1 2.036 0.00 . 1 . . . . A 37 LYS HB2 . 34463 1 336 . 1 1 37 37 LYS HB3 H 1 1.516 0.00 . 1 . . . . A 37 LYS HB3 . 34463 1 337 . 1 1 37 37 LYS HE3 H 1 2.970 0.00 . 1 . . . . A 37 LYS HE3 . 34463 1 338 . 1 1 37 37 LYS CA C 13 59.111 0.01 . 1 . . . . A 37 LYS CA . 34463 1 339 . 1 1 37 37 LYS CB C 13 32.115 0.00 . 1 . . . . A 37 LYS CB . 34463 1 340 . 1 1 37 37 LYS CE C 13 41.998 0.00 . 1 . . . . A 37 LYS CE . 34463 1 341 . 1 1 37 37 LYS N N 15 120.459 0.00 . 1 . . . . A 37 LYS N . 34463 1 342 . 1 1 38 38 ARG H H 1 7.797 0.00 . 1 . . . . A 38 ARG H . 34463 1 343 . 1 1 38 38 ARG HA H 1 4.390 0.00 . 1 . . . . A 38 ARG HA . 34463 1 344 . 1 1 38 38 ARG HB2 H 1 1.950 0.00 . 1 . . . . A 38 ARG HB2 . 34463 1 345 . 1 1 38 38 ARG HB3 H 1 1.881 0.00 . 1 . . . . A 38 ARG HB3 . 34463 1 346 . 1 1 38 38 ARG HG2 H 1 2.016 0.00 . 1 . . . . A 38 ARG HG2 . 34463 1 347 . 1 1 38 38 ARG HG3 H 1 1.743 0.00 . 1 . . . . A 38 ARG HG3 . 34463 1 348 . 1 1 38 38 ARG HD2 H 1 3.194 0.00 . 1 . . . . A 38 ARG HD2 . 34463 1 349 . 1 1 38 38 ARG HD3 H 1 3.166 0.00 . 1 . . . . A 38 ARG HD3 . 34463 1 350 . 1 1 38 38 ARG HE H 1 8.132 0.00 . 1 . . . . A 38 ARG HE . 34463 1 351 . 1 1 38 38 ARG HH21 H 1 7.505 0.00 . 1 . . . . A 38 ARG HH21 . 34463 1 352 . 1 1 38 38 ARG HH22 H 1 8.776 0.00 . 1 . . . . A 38 ARG HH22 . 34463 1 353 . 1 1 38 38 ARG CA C 13 56.285 0.01 . 1 . . . . A 38 ARG CA . 34463 1 354 . 1 1 38 38 ARG CB C 13 30.434 0.00 . 1 . . . . A 38 ARG CB . 34463 1 355 . 1 1 38 38 ARG CG C 13 28.039 0.00 . 1 . . . . A 38 ARG CG . 34463 1 356 . 1 1 38 38 ARG CD C 13 43.252 0.00 . 1 . . . . A 38 ARG CD . 34463 1 357 . 1 1 38 38 ARG N N 15 114.509 0.00 . 1 . . . . A 38 ARG N . 34463 1 358 . 1 1 38 38 ARG NE N 15 82.629 0.00 . 1 . . . . A 38 ARG NE . 34463 1 359 . 1 1 38 38 ARG NH2 N 15 75.396 0.00 . 1 . . . . A 38 ARG NH2 . 34463 1 360 . 1 1 39 39 GLY H H 1 7.890 0.00 . 1 . . . . A 39 GLY H . 34463 1 361 . 1 1 39 39 GLY HA2 H 1 4.021 0.00 . 2 . . . . A 39 GLY HA2 . 34463 1 362 . 1 1 39 39 GLY HA3 H 1 4.021 0.00 . 2 . . . . A 39 GLY HA3 . 34463 1 363 . 1 1 39 39 GLY CA C 13 45.707 0.00 . 1 . . . . A 39 GLY CA . 34463 1 364 . 1 1 39 39 GLY N N 15 107.432 0.00 . 1 . . . . A 39 GLY N . 34463 1 365 . 1 1 40 40 GLY HA2 H 1 4.074 0.00 . 2 . . . . A 40 GLY HA2 . 34463 1 366 . 1 1 40 40 GLY HA3 H 1 4.074 0.00 . 2 . . . . A 40 GLY HA3 . 34463 1 367 . 1 1 40 40 GLY CA C 13 45.785 0.00 . 1 . . . . A 40 GLY CA . 34463 1 368 . 1 1 41 41 THR H H 1 7.502 0.00 . 1 . . . . A 41 THR H . 34463 1 369 . 1 1 41 41 THR HA H 1 4.395 0.00 . 1 . . . . A 41 THR HA . 34463 1 370 . 1 1 41 41 THR HB H 1 4.048 0.00 . 1 . . . . A 41 THR HB . 34463 1 371 . 1 1 41 41 THR HG21 H 1 0.844 0.00 . 1 . . . . A 41 THR HG21 . 34463 1 372 . 1 1 41 41 THR HG22 H 1 0.844 0.00 . 1 . . . . A 41 THR HG22 . 34463 1 373 . 1 1 41 41 THR HG23 H 1 0.844 0.00 . 1 . . . . A 41 THR HG23 . 34463 1 374 . 1 1 41 41 THR CA C 13 60.053 0.01 . 1 . . . . A 41 THR CA . 34463 1 375 . 1 1 41 41 THR CB C 13 68.675 0.00 . 1 . . . . A 41 THR CB . 34463 1 376 . 1 1 41 41 THR CG2 C 13 19.027 0.00 . 1 . . . . A 41 THR CG2 . 34463 1 377 . 1 1 41 41 THR N N 15 111.335 0.00 . 1 . . . . A 41 THR N . 34463 1 378 . 1 1 42 42 ASN H H 1 8.329 0.00 . 1 . . . . A 42 ASN H . 34463 1 379 . 1 1 42 42 ASN HA H 1 4.747 0.01 . 1 . . . . A 42 ASN HA . 34463 1 380 . 1 1 42 42 ASN HB2 H 1 3.093 0.00 . 1 . . . . A 42 ASN HB2 . 34463 1 381 . 1 1 42 42 ASN HB3 H 1 2.891 0.00 . 1 . . . . A 42 ASN HB3 . 34463 1 382 . 1 1 42 42 ASN HD21 H 1 7.664 0.00 . 1 . . . . A 42 ASN HD21 . 34463 1 383 . 1 1 42 42 ASN HD22 H 1 8.101 0.00 . 1 . . . . A 42 ASN HD22 . 34463 1 384 . 1 1 42 42 ASN CA C 13 51.822 0.02 . 1 . . . . A 42 ASN CA . 34463 1 385 . 1 1 42 42 ASN CB C 13 40.297 0.00 . 1 . . . . A 42 ASN CB . 34463 1 386 . 1 1 42 42 ASN N N 15 117.631 0.00 . 1 . . . . A 42 ASN N . 34463 1 387 . 1 1 42 42 ASN ND2 N 15 113.889 0.00 . 1 . . . . A 42 ASN ND2 . 34463 1 388 . 1 1 43 43 LEU H H 1 9.126 0.00 . 1 . . . . A 43 LEU H . 34463 1 389 . 1 1 43 43 LEU HA H 1 3.809 0.00 . 1 . . . . A 43 LEU HA . 34463 1 390 . 1 1 43 43 LEU HB2 H 1 1.526 0.00 . 1 . . . . A 43 LEU HB2 . 34463 1 391 . 1 1 43 43 LEU HB3 H 1 1.682 0.00 . 1 . . . . A 43 LEU HB3 . 34463 1 392 . 1 1 43 43 LEU HD11 H 1 1.014 0.00 . 1 . . . . A 43 LEU HD11 . 34463 1 393 . 1 1 43 43 LEU HD12 H 1 1.014 0.00 . 1 . . . . A 43 LEU HD12 . 34463 1 394 . 1 1 43 43 LEU HD13 H 1 1.014 0.00 . 1 . . . . A 43 LEU HD13 . 34463 1 395 . 1 1 43 43 LEU HD21 H 1 0.746 0.00 . 1 . . . . A 43 LEU HD21 . 34463 1 396 . 1 1 43 43 LEU HD22 H 1 0.746 0.00 . 1 . . . . A 43 LEU HD22 . 34463 1 397 . 1 1 43 43 LEU HD23 H 1 0.746 0.00 . 1 . . . . A 43 LEU HD23 . 34463 1 398 . 1 1 43 43 LEU CA C 13 58.392 0.01 . 1 . . . . A 43 LEU CA . 34463 1 399 . 1 1 43 43 LEU CB C 13 41.638 0.00 . 1 . . . . A 43 LEU CB . 34463 1 400 . 1 1 43 43 LEU CD1 C 13 23.738 0.00 . 1 . . . . A 43 LEU CD1 . 34463 1 401 . 1 1 43 43 LEU CD2 C 13 23.413 0.00 . 1 . . . . A 43 LEU CD2 . 34463 1 402 . 1 1 43 43 LEU N N 15 120.538 0.00 . 1 . . . . A 43 LEU N . 34463 1 403 . 1 1 44 44 THR H H 1 8.084 0.00 . 1 . . . . A 44 THR H . 34463 1 404 . 1 1 44 44 THR HA H 1 3.695 0.00 . 1 . . . . A 44 THR HA . 34463 1 405 . 1 1 44 44 THR HB H 1 4.169 0.00 . 1 . . . . A 44 THR HB . 34463 1 406 . 1 1 44 44 THR HG21 H 1 1.165 0.00 . 1 . . . . A 44 THR HG21 . 34463 1 407 . 1 1 44 44 THR HG22 H 1 1.165 0.00 . 1 . . . . A 44 THR HG22 . 34463 1 408 . 1 1 44 44 THR HG23 H 1 1.165 0.00 . 1 . . . . A 44 THR HG23 . 34463 1 409 . 1 1 44 44 THR CA C 13 67.057 0.02 . 1 . . . . A 44 THR CA . 34463 1 410 . 1 1 44 44 THR CB C 13 68.243 0.00 . 1 . . . . A 44 THR CB . 34463 1 411 . 1 1 44 44 THR CG2 C 13 21.335 0.00 . 1 . . . . A 44 THR CG2 . 34463 1 412 . 1 1 44 44 THR N N 15 113.975 0.00 . 1 . . . . A 44 THR N . 34463 1 413 . 1 1 45 45 GLN H H 1 7.958 0.00 . 1 . . . . A 45 GLN H . 34463 1 414 . 1 1 45 45 GLN HA H 1 3.837 0.00 . 1 . . . . A 45 GLN HA . 34463 1 415 . 1 1 45 45 GLN HB2 H 1 2.113 0.00 . 1 . . . . A 45 GLN HB2 . 34463 1 416 . 1 1 45 45 GLN HB3 H 1 2.062 0.00 . 1 . . . . A 45 GLN HB3 . 34463 1 417 . 1 1 45 45 GLN HG3 H 1 2.394 0.00 . 1 . . . . A 45 GLN HG3 . 34463 1 418 . 1 1 45 45 GLN HE22 H 1 8.327 0.00 . 1 . . . . A 45 GLN HE22 . 34463 1 419 . 1 1 45 45 GLN CA C 13 57.989 0.01 . 1 . . . . A 45 GLN CA . 34463 1 420 . 1 1 45 45 GLN CB C 13 28.321 0.00 . 1 . . . . A 45 GLN CB . 34463 1 421 . 1 1 45 45 GLN CG C 13 33.485 0.00 . 1 . . . . A 45 GLN CG . 34463 1 422 . 1 1 45 45 GLN N N 15 120.790 0.00 . 1 . . . . A 45 GLN N . 34463 1 423 . 1 1 45 45 GLN NE2 N 15 117.569 0.00 . 1 . . . . A 45 GLN NE2 . 34463 1 424 . 1 1 46 46 VAL H H 1 8.114 0.00 . 1 . . . . A 46 VAL H . 34463 1 425 . 1 1 46 46 VAL HA H 1 3.695 0.00 . 1 . . . . A 46 VAL HA . 34463 1 426 . 1 1 46 46 VAL HB H 1 1.933 0.00 . 1 . . . . A 46 VAL HB . 34463 1 427 . 1 1 46 46 VAL HG11 H 1 1.010 0.00 . 1 . . . . A 46 VAL HG11 . 34463 1 428 . 1 1 46 46 VAL HG12 H 1 1.010 0.00 . 1 . . . . A 46 VAL HG12 . 34463 1 429 . 1 1 46 46 VAL HG13 H 1 1.010 0.00 . 1 . . . . A 46 VAL HG13 . 34463 1 430 . 1 1 46 46 VAL HG21 H 1 0.844 0.00 . 1 . . . . A 46 VAL HG21 . 34463 1 431 . 1 1 46 46 VAL HG22 H 1 0.844 0.00 . 1 . . . . A 46 VAL HG22 . 34463 1 432 . 1 1 46 46 VAL HG23 H 1 0.844 0.00 . 1 . . . . A 46 VAL HG23 . 34463 1 433 . 1 1 46 46 VAL CA C 13 66.408 0.00 . 1 . . . . A 46 VAL CA . 34463 1 434 . 1 1 46 46 VAL CB C 13 31.567 0.00 . 1 . . . . A 46 VAL CB . 34463 1 435 . 1 1 46 46 VAL CG1 C 13 23.720 0.00 . 1 . . . . A 46 VAL CG1 . 34463 1 436 . 1 1 46 46 VAL CG2 C 13 19.091 0.00 . 1 . . . . A 46 VAL CG2 . 34463 1 437 . 1 1 46 46 VAL N N 15 119.069 0.00 . 1 . . . . A 46 VAL N . 34463 1 438 . 1 1 47 47 LEU H H 1 8.131 0.00 . 1 . . . . A 47 LEU H . 34463 1 439 . 1 1 47 47 LEU HA H 1 3.902 0.00 . 1 . . . . A 47 LEU HA . 34463 1 440 . 1 1 47 47 LEU HB2 H 1 1.895 0.00 . 1 . . . . A 47 LEU HB2 . 34463 1 441 . 1 1 47 47 LEU HB3 H 1 1.363 0.00 . 1 . . . . A 47 LEU HB3 . 34463 1 442 . 1 1 47 47 LEU HG H 1 1.853 0.00 . 1 . . . . A 47 LEU HG . 34463 1 443 . 1 1 47 47 LEU HD11 H 1 0.812 0.00 . 1 . . . . A 47 LEU HD11 . 34463 1 444 . 1 1 47 47 LEU HD12 H 1 0.812 0.00 . 1 . . . . A 47 LEU HD12 . 34463 1 445 . 1 1 47 47 LEU HD13 H 1 0.812 0.00 . 1 . . . . A 47 LEU HD13 . 34463 1 446 . 1 1 47 47 LEU HD21 H 1 0.788 0.00 . 1 . . . . A 47 LEU HD21 . 34463 1 447 . 1 1 47 47 LEU HD22 H 1 0.788 0.00 . 1 . . . . A 47 LEU HD22 . 34463 1 448 . 1 1 47 47 LEU HD23 H 1 0.788 0.00 . 1 . . . . A 47 LEU HD23 . 34463 1 449 . 1 1 47 47 LEU CA C 13 57.824 0.00 . 1 . . . . A 47 LEU CA . 34463 1 450 . 1 1 47 47 LEU CB C 13 40.268 0.00 . 1 . . . . A 47 LEU CB . 34463 1 451 . 1 1 47 47 LEU CG C 13 26.933 0.00 . 1 . . . . A 47 LEU CG . 34463 1 452 . 1 1 47 47 LEU CD1 C 13 23.704 0.00 . 1 . . . . A 47 LEU CD1 . 34463 1 453 . 1 1 47 47 LEU CD2 C 13 26.011 0.00 . 1 . . . . A 47 LEU CD2 . 34463 1 454 . 1 1 47 47 LEU N N 15 115.663 0.00 . 1 . . . . A 47 LEU N . 34463 1 455 . 1 1 48 48 LYS H H 1 7.542 0.00 . 1 . . . . A 48 LYS H . 34463 1 456 . 1 1 48 48 LYS HA H 1 4.150 0.00 . 1 . . . . A 48 LYS HA . 34463 1 457 . 1 1 48 48 LYS HB2 H 1 1.905 0.00 . 1 . . . . A 48 LYS HB2 . 34463 1 458 . 1 1 48 48 LYS HB3 H 1 2.446 0.00 . 1 . . . . A 48 LYS HB3 . 34463 1 459 . 1 1 48 48 LYS HG3 H 1 1.457 0.00 . 1 . . . . A 48 LYS HG3 . 34463 1 460 . 1 1 48 48 LYS HD3 H 1 1.633 0.00 . 1 . . . . A 48 LYS HD3 . 34463 1 461 . 1 1 48 48 LYS HE3 H 1 2.643 0.00 . 1 . . . . A 48 LYS HE3 . 34463 1 462 . 1 1 48 48 LYS CA C 13 58.657 0.01 . 1 . . . . A 48 LYS CA . 34463 1 463 . 1 1 48 48 LYS CB C 13 31.645 0.00 . 1 . . . . A 48 LYS CB . 34463 1 464 . 1 1 48 48 LYS CG C 13 24.507 0.00 . 1 . . . . A 48 LYS CG . 34463 1 465 . 1 1 48 48 LYS CD C 13 28.637 0.00 . 1 . . . . A 48 LYS CD . 34463 1 466 . 1 1 48 48 LYS CE C 13 41.169 0.00 . 1 . . . . A 48 LYS CE . 34463 1 467 . 1 1 48 48 LYS N N 15 119.310 0.00 . 1 . . . . A 48 LYS N . 34463 1 468 . 1 1 49 49 ASP H H 1 9.031 0.00 . 1 . . . . A 49 ASP H . 34463 1 469 . 1 1 49 49 ASP HA H 1 4.345 0.00 . 1 . . . . A 49 ASP HA . 34463 1 470 . 1 1 49 49 ASP HB2 H 1 2.766 0.00 . 1 . . . . A 49 ASP HB2 . 34463 1 471 . 1 1 49 49 ASP HB3 H 1 2.610 0.00 . 1 . . . . A 49 ASP HB3 . 34463 1 472 . 1 1 49 49 ASP CA C 13 57.077 0.00 . 1 . . . . A 49 ASP CA . 34463 1 473 . 1 1 49 49 ASP CB C 13 39.731 0.00 . 1 . . . . A 49 ASP CB . 34463 1 474 . 1 1 49 49 ASP N N 15 123.151 0.00 . 1 . . . . A 49 ASP N . 34463 1 475 . 1 1 50 50 ALA H H 1 8.464 0.00 . 1 . . . . A 50 ALA H . 34463 1 476 . 1 1 50 50 ALA HA H 1 4.017 0.00 . 1 . . . . A 50 ALA HA . 34463 1 477 . 1 1 50 50 ALA HB1 H 1 1.330 0.00 . 1 . . . . A 50 ALA HB1 . 34463 1 478 . 1 1 50 50 ALA HB2 H 1 1.330 0.00 . 1 . . . . A 50 ALA HB2 . 34463 1 479 . 1 1 50 50 ALA HB3 H 1 1.330 0.00 . 1 . . . . A 50 ALA HB3 . 34463 1 480 . 1 1 50 50 ALA CA C 13 53.917 0.00 . 1 . . . . A 50 ALA CA . 34463 1 481 . 1 1 50 50 ALA CB C 13 18.911 0.00 . 1 . . . . A 50 ALA CB . 34463 1 482 . 1 1 50 50 ALA N N 15 120.394 0.00 . 1 . . . . A 50 ALA N . 34463 1 483 . 1 1 51 51 GLU H H 1 7.555 0.00 . 1 . . . . A 51 GLU H . 34463 1 484 . 1 1 51 51 GLU HA H 1 4.038 0.00 . 1 . . . . A 51 GLU HA . 34463 1 485 . 1 1 51 51 GLU HB2 H 1 2.117 0.00 . 1 . . . . A 51 GLU HB2 . 34463 1 486 . 1 1 51 51 GLU HB3 H 1 1.748 0.00 . 1 . . . . A 51 GLU HB3 . 34463 1 487 . 1 1 51 51 GLU HG2 H 1 2.306 0.00 . 1 . . . . A 51 GLU HG2 . 34463 1 488 . 1 1 51 51 GLU HG3 H 1 2.651 0.00 . 1 . . . . A 51 GLU HG3 . 34463 1 489 . 1 1 51 51 GLU CA C 13 58.426 0.00 . 1 . . . . A 51 GLU CA . 34463 1 490 . 1 1 51 51 GLU CB C 13 29.750 0.00 . 1 . . . . A 51 GLU CB . 34463 1 491 . 1 1 51 51 GLU CG C 13 36.272 0.00 . 1 . . . . A 51 GLU CG . 34463 1 492 . 1 1 51 51 GLU N N 15 115.300 0.00 . 1 . . . . A 51 GLU N . 34463 1 493 . 1 1 52 52 SER H H 1 7.474 0.00 . 1 . . . . A 52 SER H . 34463 1 494 . 1 1 52 52 SER HA H 1 4.669 0.00 . 1 . . . . A 52 SER HA . 34463 1 495 . 1 1 52 52 SER HB2 H 1 3.778 0.00 . 1 . . . . A 52 SER HB2 . 34463 1 496 . 1 1 52 52 SER HB3 H 1 3.928 0.00 . 1 . . . . A 52 SER HB3 . 34463 1 497 . 1 1 52 52 SER CA C 13 57.883 0.00 . 1 . . . . A 52 SER CA . 34463 1 498 . 1 1 52 52 SER CB C 13 64.625 0.00 . 1 . . . . A 52 SER CB . 34463 1 499 . 1 1 52 52 SER N N 15 108.599 0.00 . 1 . . . . A 52 SER N . 34463 1 500 . 1 1 53 53 ASP H H 1 7.744 0.00 . 1 . . . . A 53 ASP H . 34463 1 501 . 1 1 53 53 ASP HA H 1 4.795 0.00 . 1 . . . . A 53 ASP HA . 34463 1 502 . 1 1 53 53 ASP HB2 H 1 2.526 0.00 . 1 . . . . A 53 ASP HB2 . 34463 1 503 . 1 1 53 53 ASP HB3 H 1 2.715 0.00 . 1 . . . . A 53 ASP HB3 . 34463 1 504 . 1 1 53 53 ASP CA C 13 53.331 0.01 . 1 . . . . A 53 ASP CA . 34463 1 505 . 1 1 53 53 ASP CB C 13 42.715 0.00 . 1 . . . . A 53 ASP CB . 34463 1 506 . 1 1 53 53 ASP N N 15 122.819 0.00 . 1 . . . . A 53 ASP N . 34463 1 507 . 1 1 54 54 GLU H H 1 9.073 0.00 . 1 . . . . A 54 GLU H . 34463 1 508 . 1 1 54 54 GLU HA H 1 3.998 0.00 . 1 . . . . A 54 GLU HA . 34463 1 509 . 1 1 54 54 GLU HB2 H 1 2.039 0.00 . 1 . . . . A 54 GLU HB2 . 34463 1 510 . 1 1 54 54 GLU HB3 H 1 1.638 0.00 . 1 . . . . A 54 GLU HB3 . 34463 1 511 . 1 1 54 54 GLU HG3 H 1 2.282 0.00 . 1 . . . . A 54 GLU HG3 . 34463 1 512 . 1 1 54 54 GLU CA C 13 58.755 0.01 . 1 . . . . A 54 GLU CA . 34463 1 513 . 1 1 54 54 GLU CB C 13 29.870 0.00 . 1 . . . . A 54 GLU CB . 34463 1 514 . 1 1 54 54 GLU CG C 13 36.053 0.00 . 1 . . . . A 54 GLU CG . 34463 1 515 . 1 1 54 54 GLU N N 15 126.840 0.00 . 1 . . . . A 54 GLU N . 34463 1 516 . 1 1 55 55 VAL H H 1 8.022 0.00 . 1 . . . . A 55 VAL H . 34463 1 517 . 1 1 55 55 VAL HA H 1 3.585 0.00 . 1 . . . . A 55 VAL HA . 34463 1 518 . 1 1 55 55 VAL HB H 1 2.229 0.00 . 1 . . . . A 55 VAL HB . 34463 1 519 . 1 1 55 55 VAL HG11 H 1 1.000 0.00 . 1 . . . . A 55 VAL HG11 . 34463 1 520 . 1 1 55 55 VAL HG12 H 1 1.000 0.00 . 1 . . . . A 55 VAL HG12 . 34463 1 521 . 1 1 55 55 VAL HG13 H 1 1.000 0.00 . 1 . . . . A 55 VAL HG13 . 34463 1 522 . 1 1 55 55 VAL HG21 H 1 0.875 0.00 . 1 . . . . A 55 VAL HG21 . 34463 1 523 . 1 1 55 55 VAL HG22 H 1 0.875 0.00 . 1 . . . . A 55 VAL HG22 . 34463 1 524 . 1 1 55 55 VAL HG23 H 1 0.875 0.00 . 1 . . . . A 55 VAL HG23 . 34463 1 525 . 1 1 55 55 VAL CA C 13 66.092 0.01 . 1 . . . . A 55 VAL CA . 34463 1 526 . 1 1 55 55 VAL CB C 13 31.156 0.00 . 1 . . . . A 55 VAL CB . 34463 1 527 . 1 1 55 55 VAL CG1 C 13 22.630 0.00 . 1 . . . . A 55 VAL CG1 . 34463 1 528 . 1 1 55 55 VAL CG2 C 13 21.229 0.00 . 1 . . . . A 55 VAL CG2 . 34463 1 529 . 1 1 55 55 VAL N N 15 119.636 0.00 . 1 . . . . A 55 VAL N . 34463 1 530 . 1 1 56 56 LEU H H 1 7.926 0.00 . 1 . . . . A 56 LEU H . 34463 1 531 . 1 1 56 56 LEU HA H 1 4.050 0.00 . 1 . . . . A 56 LEU HA . 34463 1 532 . 1 1 56 56 LEU HB2 H 1 1.388 0.00 . 1 . . . . A 56 LEU HB2 . 34463 1 533 . 1 1 56 56 LEU HB3 H 1 2.713 0.00 . 1 . . . . A 56 LEU HB3 . 34463 1 534 . 1 1 56 56 LEU CA C 13 57.057 0.00 . 1 . . . . A 56 LEU CA . 34463 1 535 . 1 1 56 56 LEU CB C 13 41.941 0.00 . 1 . . . . A 56 LEU CB . 34463 1 536 . 1 1 56 56 LEU N N 15 120.493 0.00 . 1 . . . . A 56 LEU N . 34463 1 537 . 1 1 57 57 GLY H H 1 8.645 0.00 . 1 . . . . A 57 GLY H . 34463 1 538 . 1 1 57 57 GLY HA2 H 1 3.953 0.00 . 1 . . . . A 57 GLY HA2 . 34463 1 539 . 1 1 57 57 GLY HA3 H 1 4.138 0.00 . 1 . . . . A 57 GLY HA3 . 34463 1 540 . 1 1 57 57 GLY CA C 13 47.562 0.01 . 1 . . . . A 57 GLY CA . 34463 1 541 . 1 1 57 57 GLY N N 15 102.858 0.00 . 1 . . . . A 57 GLY N . 34463 1 542 . 1 1 58 58 LYS H H 1 7.140 0.00 . 1 . . . . A 58 LYS H . 34463 1 543 . 1 1 58 58 LYS HA H 1 4.244 0.00 . 1 . . . . A 58 LYS HA . 34463 1 544 . 1 1 58 58 LYS HB2 H 1 2.017 0.00 . 1 . . . . A 58 LYS HB2 . 34463 1 545 . 1 1 58 58 LYS HB3 H 1 1.808 0.00 . 1 . . . . A 58 LYS HB3 . 34463 1 546 . 1 1 58 58 LYS HG2 H 1 1.648 0.00 . 1 . . . . A 58 LYS HG2 . 34463 1 547 . 1 1 58 58 LYS HG3 H 1 1.453 0.00 . 1 . . . . A 58 LYS HG3 . 34463 1 548 . 1 1 58 58 LYS HD3 H 1 1.911 0.00 . 1 . . . . A 58 LYS HD3 . 34463 1 549 . 1 1 58 58 LYS CA C 13 56.154 0.00 . 1 . . . . A 58 LYS CA . 34463 1 550 . 1 1 58 58 LYS CB C 13 33.019 0.00 . 1 . . . . A 58 LYS CB . 34463 1 551 . 1 1 58 58 LYS CG C 13 25.956 0.00 . 1 . . . . A 58 LYS CG . 34463 1 552 . 1 1 58 58 LYS CD C 13 30.401 0.00 . 1 . . . . A 58 LYS CD . 34463 1 553 . 1 1 58 58 LYS N N 15 115.068 0.00 . 1 . . . . A 58 LYS N . 34463 1 554 . 1 1 59 59 MET H H 1 7.783 0.00 . 1 . . . . A 59 MET H . 34463 1 555 . 1 1 59 59 MET HA H 1 4.117 0.00 . 1 . . . . A 59 MET HA . 34463 1 556 . 1 1 59 59 MET HB2 H 1 2.097 0.00 . 1 . . . . A 59 MET HB2 . 34463 1 557 . 1 1 59 59 MET HB3 H 1 1.837 0.00 . 1 . . . . A 59 MET HB3 . 34463 1 558 . 1 1 59 59 MET HG2 H 1 2.814 0.00 . 1 . . . . A 59 MET HG2 . 34463 1 559 . 1 1 59 59 MET HG3 H 1 2.624 0.00 . 1 . . . . A 59 MET HG3 . 34463 1 560 . 1 1 59 59 MET HE1 H 1 1.345 0.00 . 1 . . . . A 59 MET HE1 . 34463 1 561 . 1 1 59 59 MET HE2 H 1 1.345 0.00 . 1 . . . . A 59 MET HE2 . 34463 1 562 . 1 1 59 59 MET HE3 H 1 1.345 0.00 . 1 . . . . A 59 MET HE3 . 34463 1 563 . 1 1 59 59 MET CA C 13 56.607 0.00 . 1 . . . . A 59 MET CA . 34463 1 564 . 1 1 59 59 MET CB C 13 33.041 0.00 . 1 . . . . A 59 MET CB . 34463 1 565 . 1 1 59 59 MET CG C 13 31.988 0.00 . 1 . . . . A 59 MET CG . 34463 1 566 . 1 1 59 59 MET CE C 13 19.353 0.00 . 1 . . . . A 59 MET CE . 34463 1 567 . 1 1 59 59 MET N N 15 122.113 0.00 . 1 . . . . A 59 MET N . 34463 1 568 . 1 1 60 60 LYS H H 1 8.857 0.00 . 1 . . . . A 60 LYS H . 34463 1 569 . 1 1 60 60 LYS HA H 1 4.353 0.01 . 1 . . . . A 60 LYS HA . 34463 1 570 . 1 1 60 60 LYS HB2 H 1 2.291 0.00 . 1 . . . . A 60 LYS HB2 . 34463 1 571 . 1 1 60 60 LYS HB3 H 1 1.619 0.00 . 1 . . . . A 60 LYS HB3 . 34463 1 572 . 1 1 60 60 LYS HG2 H 1 1.688 0.00 . 1 . . . . A 60 LYS HG2 . 34463 1 573 . 1 1 60 60 LYS HG3 H 1 1.237 0.00 . 1 . . . . A 60 LYS HG3 . 34463 1 574 . 1 1 60 60 LYS HE2 H 1 2.523 0.00 . 1 . . . . A 60 LYS HE2 . 34463 1 575 . 1 1 60 60 LYS HE3 H 1 2.938 0.00 . 1 . . . . A 60 LYS HE3 . 34463 1 576 . 1 1 60 60 LYS CA C 13 57.471 0.01 . 1 . . . . A 60 LYS CA . 34463 1 577 . 1 1 60 60 LYS CB C 13 32.035 0.00 . 1 . . . . A 60 LYS CB . 34463 1 578 . 1 1 60 60 LYS CG C 13 26.679 0.00 . 1 . . . . A 60 LYS CG . 34463 1 579 . 1 1 60 60 LYS CE C 13 42.058 0.00 . 1 . . . . A 60 LYS CE . 34463 1 580 . 1 1 60 60 LYS N N 15 123.840 0.00 . 1 . . . . A 60 LYS N . 34463 1 581 . 1 1 61 61 VAL H H 1 8.566 0.00 . 1 . . . . A 61 VAL H . 34463 1 582 . 1 1 61 61 VAL HA H 1 3.347 0.00 . 1 . . . . A 61 VAL HA . 34463 1 583 . 1 1 61 61 VAL HB H 1 1.938 0.00 . 1 . . . . A 61 VAL HB . 34463 1 584 . 1 1 61 61 VAL HG11 H 1 0.760 0.00 . 1 . . . . A 61 VAL HG11 . 34463 1 585 . 1 1 61 61 VAL HG12 H 1 0.760 0.00 . 1 . . . . A 61 VAL HG12 . 34463 1 586 . 1 1 61 61 VAL HG13 H 1 0.760 0.00 . 1 . . . . A 61 VAL HG13 . 34463 1 587 . 1 1 61 61 VAL HG21 H 1 0.882 0.00 . 1 . . . . A 61 VAL HG21 . 34463 1 588 . 1 1 61 61 VAL HG22 H 1 0.882 0.00 . 1 . . . . A 61 VAL HG22 . 34463 1 589 . 1 1 61 61 VAL HG23 H 1 0.882 0.00 . 1 . . . . A 61 VAL HG23 . 34463 1 590 . 1 1 61 61 VAL CA C 13 66.283 0.01 . 1 . . . . A 61 VAL CA . 34463 1 591 . 1 1 61 61 VAL CB C 13 31.045 0.00 . 1 . . . . A 61 VAL CB . 34463 1 592 . 1 1 61 61 VAL CG1 C 13 23.418 0.00 . 1 . . . . A 61 VAL CG1 . 34463 1 593 . 1 1 61 61 VAL CG2 C 13 21.382 0.00 . 1 . . . . A 61 VAL CG2 . 34463 1 594 . 1 1 61 61 VAL N N 15 123.009 0.00 . 1 . . . . A 61 VAL N . 34463 1 595 . 1 1 62 62 SER H H 1 9.179 0.00 . 1 . . . . A 62 SER H . 34463 1 596 . 1 1 62 62 SER HA H 1 4.049 0.00 . 1 . . . . A 62 SER HA . 34463 1 597 . 1 1 62 62 SER HB2 H 1 3.844 0.00 . 1 . . . . A 62 SER HB2 . 34463 1 598 . 1 1 62 62 SER HB3 H 1 3.733 0.00 . 1 . . . . A 62 SER HB3 . 34463 1 599 . 1 1 62 62 SER CA C 13 61.603 0.00 . 1 . . . . A 62 SER CA . 34463 1 600 . 1 1 62 62 SER CB C 13 61.505 0.00 . 1 . . . . A 62 SER CB . 34463 1 601 . 1 1 62 62 SER N N 15 113.511 0.00 . 1 . . . . A 62 SER N . 34463 1 602 . 1 1 63 63 ALA H H 1 6.527 0.00 . 1 . . . . A 63 ALA H . 34463 1 603 . 1 1 63 63 ALA HA H 1 4.114 0.00 . 1 . . . . A 63 ALA HA . 34463 1 604 . 1 1 63 63 ALA HB1 H 1 1.477 0.00 . 1 . . . . A 63 ALA HB1 . 34463 1 605 . 1 1 63 63 ALA HB2 H 1 1.477 0.00 . 1 . . . . A 63 ALA HB2 . 34463 1 606 . 1 1 63 63 ALA HB3 H 1 1.477 0.00 . 1 . . . . A 63 ALA HB3 . 34463 1 607 . 1 1 63 63 ALA CA C 13 54.095 0.00 . 1 . . . . A 63 ALA CA . 34463 1 608 . 1 1 63 63 ALA CB C 13 18.692 0.00 . 1 . . . . A 63 ALA CB . 34463 1 609 . 1 1 63 63 ALA N N 15 123.531 0.00 . 1 . . . . A 63 ALA N . 34463 1 610 . 1 1 64 64 LEU H H 1 7.521 0.00 . 1 . . . . A 64 LEU H . 34463 1 611 . 1 1 64 64 LEU HA H 1 3.910 0.00 . 1 . . . . A 64 LEU HA . 34463 1 612 . 1 1 64 64 LEU HB2 H 1 1.490 0.00 . 1 . . . . A 64 LEU HB2 . 34463 1 613 . 1 1 64 64 LEU HB3 H 1 2.006 0.00 . 1 . . . . A 64 LEU HB3 . 34463 1 614 . 1 1 64 64 LEU HG H 1 1.389 0.00 . 1 . . . . A 64 LEU HG . 34463 1 615 . 1 1 64 64 LEU HD11 H 1 1.251 0.00 . 1 . . . . A 64 LEU HD11 . 34463 1 616 . 1 1 64 64 LEU HD12 H 1 1.251 0.00 . 1 . . . . A 64 LEU HD12 . 34463 1 617 . 1 1 64 64 LEU HD13 H 1 1.251 0.00 . 1 . . . . A 64 LEU HD13 . 34463 1 618 . 1 1 64 64 LEU HD21 H 1 0.794 0.00 . 1 . . . . A 64 LEU HD21 . 34463 1 619 . 1 1 64 64 LEU HD22 H 1 0.794 0.00 . 1 . . . . A 64 LEU HD22 . 34463 1 620 . 1 1 64 64 LEU HD23 H 1 0.794 0.00 . 1 . . . . A 64 LEU HD23 . 34463 1 621 . 1 1 64 64 LEU CA C 13 57.620 0.02 . 1 . . . . A 64 LEU CA . 34463 1 622 . 1 1 64 64 LEU CB C 13 41.212 0.00 . 1 . . . . A 64 LEU CB . 34463 1 623 . 1 1 64 64 LEU CG C 13 27.524 0.00 . 1 . . . . A 64 LEU CG . 34463 1 624 . 1 1 64 64 LEU CD1 C 13 23.587 0.00 . 1 . . . . A 64 LEU CD1 . 34463 1 625 . 1 1 64 64 LEU CD2 C 13 26.236 0.00 . 1 . . . . A 64 LEU CD2 . 34463 1 626 . 1 1 64 64 LEU N N 15 119.030 0.00 . 1 . . . . A 64 LEU N . 34463 1 627 . 1 1 65 65 LEU H H 1 8.111 0.00 . 1 . . . . A 65 LEU H . 34463 1 628 . 1 1 65 65 LEU HA H 1 3.775 0.00 . 1 . . . . A 65 LEU HA . 34463 1 629 . 1 1 65 65 LEU HB2 H 1 1.127 0.00 . 1 . . . . A 65 LEU HB2 . 34463 1 630 . 1 1 65 65 LEU HB3 H 1 1.828 0.00 . 1 . . . . A 65 LEU HB3 . 34463 1 631 . 1 1 65 65 LEU HG H 1 1.009 0.00 . 1 . . . . A 65 LEU HG . 34463 1 632 . 1 1 65 65 LEU HD11 H 1 0.393 0.00 . 1 . . . . A 65 LEU HD11 . 34463 1 633 . 1 1 65 65 LEU HD12 H 1 0.393 0.00 . 1 . . . . A 65 LEU HD12 . 34463 1 634 . 1 1 65 65 LEU HD13 H 1 0.393 0.00 . 1 . . . . A 65 LEU HD13 . 34463 1 635 . 1 1 65 65 LEU HD21 H 1 0.680 0.00 . 1 . . . . A 65 LEU HD21 . 34463 1 636 . 1 1 65 65 LEU HD22 H 1 0.680 0.00 . 1 . . . . A 65 LEU HD22 . 34463 1 637 . 1 1 65 65 LEU HD23 H 1 0.680 0.00 . 1 . . . . A 65 LEU HD23 . 34463 1 638 . 1 1 65 65 LEU CA C 13 57.548 0.01 . 1 . . . . A 65 LEU CA . 34463 1 639 . 1 1 65 65 LEU CB C 13 41.913 0.00 . 1 . . . . A 65 LEU CB . 34463 1 640 . 1 1 65 65 LEU CG C 13 23.428 0.00 . 1 . . . . A 65 LEU CG . 34463 1 641 . 1 1 65 65 LEU CD1 C 13 26.145 0.00 . 1 . . . . A 65 LEU CD1 . 34463 1 642 . 1 1 65 65 LEU CD2 C 13 22.628 0.00 . 1 . . . . A 65 LEU CD2 . 34463 1 643 . 1 1 65 65 LEU N N 15 114.328 0.00 . 1 . . . . A 65 LEU N . 34463 1 644 . 1 1 66 66 GLU H H 1 7.790 0.00 . 1 . . . . A 66 GLU H . 34463 1 645 . 1 1 66 66 GLU HA H 1 3.632 0.00 . 1 . . . . A 66 GLU HA . 34463 1 646 . 1 1 66 66 GLU HB2 H 1 1.968 0.00 . 1 . . . . A 66 GLU HB2 . 34463 1 647 . 1 1 66 66 GLU HB3 H 1 2.363 0.00 . 1 . . . . A 66 GLU HB3 . 34463 1 648 . 1 1 66 66 GLU CA C 13 58.290 0.00 . 1 . . . . A 66 GLU CA . 34463 1 649 . 1 1 66 66 GLU CB C 13 29.413 0.00 . 1 . . . . A 66 GLU CB . 34463 1 650 . 1 1 66 66 GLU N N 15 113.646 0.00 . 1 . . . . A 66 GLU N . 34463 1 651 . 1 1 67 67 ALA H H 1 7.295 0.00 . 1 . . . . A 67 ALA H . 34463 1 652 . 1 1 67 67 ALA HA H 1 4.195 0.00 . 1 . . . . A 67 ALA HA . 34463 1 653 . 1 1 67 67 ALA HB1 H 1 1.459 0.00 . 1 . . . . A 67 ALA HB1 . 34463 1 654 . 1 1 67 67 ALA HB2 H 1 1.459 0.00 . 1 . . . . A 67 ALA HB2 . 34463 1 655 . 1 1 67 67 ALA HB3 H 1 1.459 0.00 . 1 . . . . A 67 ALA HB3 . 34463 1 656 . 1 1 67 67 ALA CA C 13 52.056 0.00 . 1 . . . . A 67 ALA CA . 34463 1 657 . 1 1 67 67 ALA CB C 13 19.182 0.00 . 1 . . . . A 67 ALA CB . 34463 1 658 . 1 1 67 67 ALA N N 15 119.493 0.00 . 1 . . . . A 67 ALA N . 34463 1 659 . 1 1 68 68 LEU H H 1 7.217 0.00 . 1 . . . . A 68 LEU H . 34463 1 660 . 1 1 68 68 LEU HA H 1 4.287 0.00 . 1 . . . . A 68 LEU HA . 34463 1 661 . 1 1 68 68 LEU HB2 H 1 1.766 0.00 . 1 . . . . A 68 LEU HB2 . 34463 1 662 . 1 1 68 68 LEU HB3 H 1 1.284 0.00 . 1 . . . . A 68 LEU HB3 . 34463 1 663 . 1 1 68 68 LEU HG H 1 2.329 0.00 . 1 . . . . A 68 LEU HG . 34463 1 664 . 1 1 68 68 LEU HD11 H 1 0.719 0.00 . 1 . . . . A 68 LEU HD11 . 34463 1 665 . 1 1 68 68 LEU HD12 H 1 0.719 0.00 . 1 . . . . A 68 LEU HD12 . 34463 1 666 . 1 1 68 68 LEU HD13 H 1 0.719 0.00 . 1 . . . . A 68 LEU HD13 . 34463 1 667 . 1 1 68 68 LEU HD21 H 1 0.386 0.00 . 1 . . . . A 68 LEU HD21 . 34463 1 668 . 1 1 68 68 LEU HD22 H 1 0.386 0.00 . 1 . . . . A 68 LEU HD22 . 34463 1 669 . 1 1 68 68 LEU HD23 H 1 0.386 0.00 . 1 . . . . A 68 LEU HD23 . 34463 1 670 . 1 1 68 68 LEU CA C 13 53.064 0.00 . 1 . . . . A 68 LEU CA . 34463 1 671 . 1 1 68 68 LEU CB C 13 40.128 0.00 . 1 . . . . A 68 LEU CB . 34463 1 672 . 1 1 68 68 LEU CG C 13 31.152 0.00 . 1 . . . . A 68 LEU CG . 34463 1 673 . 1 1 68 68 LEU CD1 C 13 23.329 0.00 . 1 . . . . A 68 LEU CD1 . 34463 1 674 . 1 1 68 68 LEU CD2 C 13 26.085 0.00 . 1 . . . . A 68 LEU CD2 . 34463 1 675 . 1 1 68 68 LEU N N 15 118.635 0.00 . 1 . . . . A 68 LEU N . 34463 1 676 . 1 1 69 69 PRO HA H 1 4.279 0.00 . 1 . . . . A 69 PRO HA . 34463 1 677 . 1 1 69 69 PRO HB2 H 1 2.370 0.00 . 1 . . . . A 69 PRO HB2 . 34463 1 678 . 1 1 69 69 PRO HB3 H 1 1.955 0.00 . 1 . . . . A 69 PRO HB3 . 34463 1 679 . 1 1 69 69 PRO HG3 H 1 2.127 0.00 . 1 . . . . A 69 PRO HG3 . 34463 1 680 . 1 1 69 69 PRO HD2 H 1 3.650 0.00 . 1 . . . . A 69 PRO HD2 . 34463 1 681 . 1 1 69 69 PRO HD3 H 1 3.942 0.00 . 1 . . . . A 69 PRO HD3 . 34463 1 682 . 1 1 69 69 PRO CA C 13 64.222 0.00 . 1 . . . . A 69 PRO CA . 34463 1 683 . 1 1 69 69 PRO CB C 13 31.756 0.00 . 1 . . . . A 69 PRO CB . 34463 1 684 . 1 1 69 69 PRO CG C 13 27.697 0.00 . 1 . . . . A 69 PRO CG . 34463 1 685 . 1 1 69 69 PRO CD C 13 50.485 0.00 . 1 . . . . A 69 PRO CD . 34463 1 686 . 1 1 70 70 LYS H H 1 8.711 0.00 . 1 . . . . A 70 LYS H . 34463 1 687 . 1 1 70 70 LYS HA H 1 4.021 0.00 . 1 . . . . A 70 LYS HA . 34463 1 688 . 1 1 70 70 LYS HB2 H 1 2.060 0.00 . 1 . . . . A 70 LYS HB2 . 34463 1 689 . 1 1 70 70 LYS HB3 H 1 1.407 0.00 . 1 . . . . A 70 LYS HB3 . 34463 1 690 . 1 1 70 70 LYS CA C 13 57.188 0.01 . 1 . . . . A 70 LYS CA . 34463 1 691 . 1 1 70 70 LYS CB C 13 30.262 0.00 . 1 . . . . A 70 LYS CB . 34463 1 692 . 1 1 70 70 LYS N N 15 113.861 0.00 . 1 . . . . A 70 LYS N . 34463 1 693 . 1 1 71 71 VAL H H 1 7.558 0.00 . 1 . . . . A 71 VAL H . 34463 1 694 . 1 1 71 71 VAL HA H 1 4.098 0.00 . 1 . . . . A 71 VAL HA . 34463 1 695 . 1 1 71 71 VAL HB H 1 2.330 0.00 . 1 . . . . A 71 VAL HB . 34463 1 696 . 1 1 71 71 VAL HG11 H 1 0.844 0.00 . 1 . . . . A 71 VAL HG11 . 34463 1 697 . 1 1 71 71 VAL HG12 H 1 0.844 0.00 . 1 . . . . A 71 VAL HG12 . 34463 1 698 . 1 1 71 71 VAL HG13 H 1 0.844 0.00 . 1 . . . . A 71 VAL HG13 . 34463 1 699 . 1 1 71 71 VAL HG21 H 1 0.711 0.00 . 1 . . . . A 71 VAL HG21 . 34463 1 700 . 1 1 71 71 VAL HG22 H 1 0.711 0.00 . 1 . . . . A 71 VAL HG22 . 34463 1 701 . 1 1 71 71 VAL HG23 H 1 0.711 0.00 . 1 . . . . A 71 VAL HG23 . 34463 1 702 . 1 1 71 71 VAL CA C 13 63.704 0.01 . 1 . . . . A 71 VAL CA . 34463 1 703 . 1 1 71 71 VAL CB C 13 31.066 0.00 . 1 . . . . A 71 VAL CB . 34463 1 704 . 1 1 71 71 VAL CG1 C 13 22.444 0.00 . 1 . . . . A 71 VAL CG1 . 34463 1 705 . 1 1 71 71 VAL CG2 C 13 22.413 0.00 . 1 . . . . A 71 VAL CG2 . 34463 1 706 . 1 1 71 71 VAL N N 15 120.988 0.00 . 1 . . . . A 71 VAL N . 34463 1 707 . 1 1 72 72 GLY H H 1 7.500 0.00 . 1 . . . . A 72 GLY H . 34463 1 708 . 1 1 72 72 GLY HA2 H 1 4.265 0.00 . 1 . . . . A 72 GLY HA2 . 34463 1 709 . 1 1 72 72 GLY HA3 H 1 4.300 0.00 . 1 . . . . A 72 GLY HA3 . 34463 1 710 . 1 1 72 72 GLY CA C 13 44.302 0.01 . 1 . . . . A 72 GLY CA . 34463 1 711 . 1 1 72 72 GLY N N 15 108.777 0.00 . 1 . . . . A 72 GLY N . 34463 1 712 . 1 1 73 73 LYS H H 1 8.586 0.00 . 1 . . . . A 73 LYS H . 34463 1 713 . 1 1 73 73 LYS HA H 1 3.820 0.00 . 1 . . . . A 73 LYS HA . 34463 1 714 . 1 1 73 73 LYS HB2 H 1 1.820 0.00 . 1 . . . . A 73 LYS HB2 . 34463 1 715 . 1 1 73 73 LYS HB3 H 1 2.362 0.00 . 1 . . . . A 73 LYS HB3 . 34463 1 716 . 1 1 73 73 LYS HG2 H 1 1.662 0.00 . 1 . . . . A 73 LYS HG2 . 34463 1 717 . 1 1 73 73 LYS HG3 H 1 1.465 0.00 . 1 . . . . A 73 LYS HG3 . 34463 1 718 . 1 1 73 73 LYS HD3 H 1 1.355 0.00 . 1 . . . . A 73 LYS HD3 . 34463 1 719 . 1 1 73 73 LYS HE2 H 1 2.695 0.00 . 1 . . . . A 73 LYS HE2 . 34463 1 720 . 1 1 73 73 LYS HE3 H 1 2.943 0.00 . 1 . . . . A 73 LYS HE3 . 34463 1 721 . 1 1 73 73 LYS CA C 13 60.648 0.01 . 1 . . . . A 73 LYS CA . 34463 1 722 . 1 1 73 73 LYS CB C 13 32.912 0.00 . 1 . . . . A 73 LYS CB . 34463 1 723 . 1 1 73 73 LYS CG C 13 24.702 0.00 . 1 . . . . A 73 LYS CG . 34463 1 724 . 1 1 73 73 LYS CD C 13 24.714 0.00 . 1 . . . . A 73 LYS CD . 34463 1 725 . 1 1 73 73 LYS CE C 13 41.930 0.00 . 1 . . . . A 73 LYS CE . 34463 1 726 . 1 1 73 73 LYS N N 15 118.061 0.00 . 1 . . . . A 73 LYS N . 34463 1 727 . 1 1 74 74 VAL H H 1 8.177 0.00 . 1 . . . . A 74 VAL H . 34463 1 728 . 1 1 74 74 VAL HA H 1 3.728 0.00 . 1 . . . . A 74 VAL HA . 34463 1 729 . 1 1 74 74 VAL HB H 1 2.008 0.00 . 1 . . . . A 74 VAL HB . 34463 1 730 . 1 1 74 74 VAL HG11 H 1 0.921 0.00 . 1 . . . . A 74 VAL HG11 . 34463 1 731 . 1 1 74 74 VAL HG12 H 1 0.921 0.00 . 1 . . . . A 74 VAL HG12 . 34463 1 732 . 1 1 74 74 VAL HG13 H 1 0.921 0.00 . 1 . . . . A 74 VAL HG13 . 34463 1 733 . 1 1 74 74 VAL HG21 H 1 1.025 0.00 . 1 . . . . A 74 VAL HG21 . 34463 1 734 . 1 1 74 74 VAL HG22 H 1 1.025 0.00 . 1 . . . . A 74 VAL HG22 . 34463 1 735 . 1 1 74 74 VAL HG23 H 1 1.025 0.00 . 1 . . . . A 74 VAL HG23 . 34463 1 736 . 1 1 74 74 VAL CA C 13 66.301 0.00 . 1 . . . . A 74 VAL CA . 34463 1 737 . 1 1 74 74 VAL CB C 13 31.502 0.00 . 1 . . . . A 74 VAL CB . 34463 1 738 . 1 1 74 74 VAL CG1 C 13 20.935 0.00 . 1 . . . . A 74 VAL CG1 . 34463 1 739 . 1 1 74 74 VAL CG2 C 13 22.474 0.00 . 1 . . . . A 74 VAL CG2 . 34463 1 740 . 1 1 74 74 VAL N N 15 119.037 0.00 . 1 . . . . A 74 VAL N . 34463 1 741 . 1 1 75 75 LYS H H 1 8.353 0.00 . 1 . . . . A 75 LYS H . 34463 1 742 . 1 1 75 75 LYS HA H 1 4.183 0.00 . 1 . . . . A 75 LYS HA . 34463 1 743 . 1 1 75 75 LYS HB2 H 1 1.824 0.00 . 1 . . . . A 75 LYS HB2 . 34463 1 744 . 1 1 75 75 LYS HB3 H 1 1.576 0.00 . 1 . . . . A 75 LYS HB3 . 34463 1 745 . 1 1 75 75 LYS HG3 H 1 0.845 0.00 . 1 . . . . A 75 LYS HG3 . 34463 1 746 . 1 1 75 75 LYS HD3 H 1 2.321 0.00 . 1 . . . . A 75 LYS HD3 . 34463 1 747 . 1 1 75 75 LYS HE3 H 1 3.018 0.00 . 1 . . . . A 75 LYS HE3 . 34463 1 748 . 1 1 75 75 LYS CA C 13 57.846 0.00 . 1 . . . . A 75 LYS CA . 34463 1 749 . 1 1 75 75 LYS CB C 13 31.591 0.00 . 1 . . . . A 75 LYS CB . 34463 1 750 . 1 1 75 75 LYS CG C 13 25.675 0.00 . 1 . . . . A 75 LYS CG . 34463 1 751 . 1 1 75 75 LYS CD C 13 29.540 0.00 . 1 . . . . A 75 LYS CD . 34463 1 752 . 1 1 75 75 LYS CE C 13 41.832 0.00 . 1 . . . . A 75 LYS CE . 34463 1 753 . 1 1 75 75 LYS N N 15 120.531 0.00 . 1 . . . . A 75 LYS N . 34463 1 754 . 1 1 76 76 ALA H H 1 8.335 0.00 . 1 . . . . A 76 ALA H . 34463 1 755 . 1 1 76 76 ALA HA H 1 3.757 0.01 . 1 . . . . A 76 ALA HA . 34463 1 756 . 1 1 76 76 ALA HB1 H 1 1.354 0.00 . 1 . . . . A 76 ALA HB1 . 34463 1 757 . 1 1 76 76 ALA HB2 H 1 1.354 0.00 . 1 . . . . A 76 ALA HB2 . 34463 1 758 . 1 1 76 76 ALA HB3 H 1 1.354 0.00 . 1 . . . . A 76 ALA HB3 . 34463 1 759 . 1 1 76 76 ALA CA C 13 55.676 0.00 . 1 . . . . A 76 ALA CA . 34463 1 760 . 1 1 76 76 ALA CB C 13 18.950 0.00 . 1 . . . . A 76 ALA CB . 34463 1 761 . 1 1 76 76 ALA N N 15 119.748 0.00 . 1 . . . . A 76 ALA N . 34463 1 762 . 1 1 77 77 GLN H H 1 7.555 0.00 . 1 . . . . A 77 GLN H . 34463 1 763 . 1 1 77 77 GLN HA H 1 4.018 0.00 . 1 . . . . A 77 GLN HA . 34463 1 764 . 1 1 77 77 GLN HB2 H 1 2.218 0.00 . 1 . . . . A 77 GLN HB2 . 34463 1 765 . 1 1 77 77 GLN HB3 H 1 2.459 0.00 . 1 . . . . A 77 GLN HB3 . 34463 1 766 . 1 1 77 77 GLN CA C 13 58.486 0.00 . 1 . . . . A 77 GLN CA . 34463 1 767 . 1 1 77 77 GLN CB C 13 27.854 0.00 . 1 . . . . A 77 GLN CB . 34463 1 768 . 1 1 77 77 GLN N N 15 115.054 0.00 . 1 . . . . A 77 GLN N . 34463 1 769 . 1 1 78 78 GLU H H 1 7.914 0.00 . 1 . . . . A 78 GLU H . 34463 1 770 . 1 1 78 78 GLU HA H 1 4.026 0.01 . 1 . . . . A 78 GLU HA . 34463 1 771 . 1 1 78 78 GLU HB2 H 1 2.318 0.00 . 1 . . . . A 78 GLU HB2 . 34463 1 772 . 1 1 78 78 GLU HB3 H 1 2.125 0.00 . 1 . . . . A 78 GLU HB3 . 34463 1 773 . 1 1 78 78 GLU HG3 H 1 2.490 0.00 . 1 . . . . A 78 GLU HG3 . 34463 1 774 . 1 1 78 78 GLU CA C 13 59.496 0.01 . 1 . . . . A 78 GLU CA . 34463 1 775 . 1 1 78 78 GLU CB C 13 29.389 0.00 . 1 . . . . A 78 GLU CB . 34463 1 776 . 1 1 78 78 GLU CG C 13 36.300 0.00 . 1 . . . . A 78 GLU CG . 34463 1 777 . 1 1 78 78 GLU N N 15 120.603 0.00 . 1 . . . . A 78 GLU N . 34463 1 778 . 1 1 79 79 ILE H H 1 8.427 0.00 . 1 . . . . A 79 ILE H . 34463 1 779 . 1 1 79 79 ILE HA H 1 3.828 0.00 . 1 . . . . A 79 ILE HA . 34463 1 780 . 1 1 79 79 ILE HB H 1 1.937 0.00 . 1 . . . . A 79 ILE HB . 34463 1 781 . 1 1 79 79 ILE HG12 H 1 1.134 0.00 . 1 . . . . A 79 ILE HG12 . 34463 1 782 . 1 1 79 79 ILE HG13 H 1 1.832 0.00 . 1 . . . . A 79 ILE HG13 . 34463 1 783 . 1 1 79 79 ILE HG21 H 1 0.822 0.00 . 1 . . . . A 79 ILE HG21 . 34463 1 784 . 1 1 79 79 ILE HG22 H 1 0.822 0.00 . 1 . . . . A 79 ILE HG22 . 34463 1 785 . 1 1 79 79 ILE HG23 H 1 0.822 0.00 . 1 . . . . A 79 ILE HG23 . 34463 1 786 . 1 1 79 79 ILE HD11 H 1 0.838 0.00 . 1 . . . . A 79 ILE HD11 . 34463 1 787 . 1 1 79 79 ILE HD12 H 1 0.838 0.00 . 1 . . . . A 79 ILE HD12 . 34463 1 788 . 1 1 79 79 ILE HD13 H 1 0.838 0.00 . 1 . . . . A 79 ILE HD13 . 34463 1 789 . 1 1 79 79 ILE CA C 13 64.291 0.00 . 1 . . . . A 79 ILE CA . 34463 1 790 . 1 1 79 79 ILE CB C 13 37.611 0.00 . 1 . . . . A 79 ILE CB . 34463 1 791 . 1 1 79 79 ILE CG1 C 13 29.083 0.00 . 1 . . . . A 79 ILE CG1 . 34463 1 792 . 1 1 79 79 ILE CG2 C 13 18.203 0.00 . 1 . . . . A 79 ILE CG2 . 34463 1 793 . 1 1 79 79 ILE CD1 C 13 12.634 0.00 . 1 . . . . A 79 ILE CD1 . 34463 1 794 . 1 1 79 79 ILE N N 15 120.724 0.00 . 1 . . . . A 79 ILE N . 34463 1 795 . 1 1 80 80 MET H H 1 8.237 0.00 . 1 . . . . A 80 MET H . 34463 1 796 . 1 1 80 80 MET HA H 1 3.777 0.00 . 1 . . . . A 80 MET HA . 34463 1 797 . 1 1 80 80 MET HB2 H 1 2.446 0.00 . 1 . . . . A 80 MET HB2 . 34463 1 798 . 1 1 80 80 MET HB3 H 1 2.111 0.00 . 1 . . . . A 80 MET HB3 . 34463 1 799 . 1 1 80 80 MET HG2 H 1 2.117 0.00 . 1 . . . . A 80 MET HG2 . 34463 1 800 . 1 1 80 80 MET HG3 H 1 2.738 0.00 . 1 . . . . A 80 MET HG3 . 34463 1 801 . 1 1 80 80 MET HE1 H 1 1.974 0.00 . 1 . . . . A 80 MET HE1 . 34463 1 802 . 1 1 80 80 MET HE2 H 1 1.974 0.00 . 1 . . . . A 80 MET HE2 . 34463 1 803 . 1 1 80 80 MET HE3 H 1 1.974 0.00 . 1 . . . . A 80 MET HE3 . 34463 1 804 . 1 1 80 80 MET CA C 13 59.992 0.01 . 1 . . . . A 80 MET CA . 34463 1 805 . 1 1 80 80 MET CB C 13 31.415 0.00 . 1 . . . . A 80 MET CB . 34463 1 806 . 1 1 80 80 MET CG C 13 32.985 0.00 . 1 . . . . A 80 MET CG . 34463 1 807 . 1 1 80 80 MET CE C 13 17.470 0.00 . 1 . . . . A 80 MET CE . 34463 1 808 . 1 1 80 80 MET N N 15 118.057 0.00 . 1 . . . . A 80 MET N . 34463 1 809 . 1 1 81 81 THR H H 1 8.145 0.00 . 1 . . . . A 81 THR H . 34463 1 810 . 1 1 81 81 THR HA H 1 4.005 0.00 . 1 . . . . A 81 THR HA . 34463 1 811 . 1 1 81 81 THR HB H 1 4.266 0.00 . 1 . . . . A 81 THR HB . 34463 1 812 . 1 1 81 81 THR HG21 H 1 1.235 0.00 . 1 . . . . A 81 THR HG21 . 34463 1 813 . 1 1 81 81 THR HG22 H 1 1.235 0.00 . 1 . . . . A 81 THR HG22 . 34463 1 814 . 1 1 81 81 THR HG23 H 1 1.235 0.00 . 1 . . . . A 81 THR HG23 . 34463 1 815 . 1 1 81 81 THR CA C 13 66.327 0.00 . 1 . . . . A 81 THR CA . 34463 1 816 . 1 1 81 81 THR CB C 13 68.578 0.00 . 1 . . . . A 81 THR CB . 34463 1 817 . 1 1 81 81 THR CG2 C 13 21.594 0.00 . 1 . . . . A 81 THR CG2 . 34463 1 818 . 1 1 81 81 THR N N 15 114.738 0.00 . 1 . . . . A 81 THR N . 34463 1 819 . 1 1 82 82 GLU H H 1 8.270 0.00 . 1 . . . . A 82 GLU H . 34463 1 820 . 1 1 82 82 GLU HA H 1 3.956 0.00 . 1 . . . . A 82 GLU HA . 34463 1 821 . 1 1 82 82 GLU HB2 H 1 2.192 0.00 . 1 . . . . A 82 GLU HB2 . 34463 1 822 . 1 1 82 82 GLU HB3 H 1 1.991 0.00 . 1 . . . . A 82 GLU HB3 . 34463 1 823 . 1 1 82 82 GLU HG2 H 1 2.108 0.00 . 1 . . . . A 82 GLU HG2 . 34463 1 824 . 1 1 82 82 GLU HG3 H 1 2.345 0.00 . 1 . . . . A 82 GLU HG3 . 34463 1 825 . 1 1 82 82 GLU CA C 13 59.442 0.03 . 1 . . . . A 82 GLU CA . 34463 1 826 . 1 1 82 82 GLU CB C 13 29.701 0.00 . 1 . . . . A 82 GLU CB . 34463 1 827 . 1 1 82 82 GLU CG C 13 35.633 0.00 . 1 . . . . A 82 GLU CG . 34463 1 828 . 1 1 82 82 GLU N N 15 123.954 0.00 . 1 . . . . A 82 GLU N . 34463 1 829 . 1 1 83 83 LEU H H 1 8.105 0.00 . 1 . . . . A 83 LEU H . 34463 1 830 . 1 1 83 83 LEU HA H 1 4.301 0.00 . 1 . . . . A 83 LEU HA . 34463 1 831 . 1 1 83 83 LEU HB2 H 1 1.643 0.00 . 1 . . . . A 83 LEU HB2 . 34463 1 832 . 1 1 83 83 LEU HB3 H 1 1.380 0.00 . 1 . . . . A 83 LEU HB3 . 34463 1 833 . 1 1 83 83 LEU HG H 1 1.861 0.00 . 1 . . . . A 83 LEU HG . 34463 1 834 . 1 1 83 83 LEU HD11 H 1 0.775 0.00 . 1 . . . . A 83 LEU HD11 . 34463 1 835 . 1 1 83 83 LEU HD12 H 1 0.775 0.00 . 1 . . . . A 83 LEU HD12 . 34463 1 836 . 1 1 83 83 LEU HD13 H 1 0.775 0.00 . 1 . . . . A 83 LEU HD13 . 34463 1 837 . 1 1 83 83 LEU HD21 H 1 0.775 0.00 . 1 . . . . A 83 LEU HD21 . 34463 1 838 . 1 1 83 83 LEU HD22 H 1 0.775 0.00 . 1 . . . . A 83 LEU HD22 . 34463 1 839 . 1 1 83 83 LEU HD23 H 1 0.775 0.00 . 1 . . . . A 83 LEU HD23 . 34463 1 840 . 1 1 83 83 LEU CA C 13 54.447 0.00 . 1 . . . . A 83 LEU CA . 34463 1 841 . 1 1 83 83 LEU CB C 13 41.857 0.00 . 1 . . . . A 83 LEU CB . 34463 1 842 . 1 1 83 83 LEU CG C 13 27.085 0.00 . 1 . . . . A 83 LEU CG . 34463 1 843 . 1 1 83 83 LEU CD1 C 13 25.843 0.00 . 1 . . . . A 83 LEU CD1 . 34463 1 844 . 1 1 83 83 LEU CD2 C 13 22.974 0.00 . 1 . . . . A 83 LEU CD2 . 34463 1 845 . 1 1 83 83 LEU N N 15 114.769 0.00 . 1 . . . . A 83 LEU N . 34463 1 846 . 1 1 84 84 GLU H H 1 7.741 0.00 . 1 . . . . A 84 GLU H . 34463 1 847 . 1 1 84 84 GLU HA H 1 3.869 0.00 . 1 . . . . A 84 GLU HA . 34463 1 848 . 1 1 84 84 GLU HB2 H 1 2.118 0.00 . 1 . . . . A 84 GLU HB2 . 34463 1 849 . 1 1 84 84 GLU HB3 H 1 2.231 0.00 . 1 . . . . A 84 GLU HB3 . 34463 1 850 . 1 1 84 84 GLU HG2 H 1 2.120 0.00 . 1 . . . . A 84 GLU HG2 . 34463 1 851 . 1 1 84 84 GLU HG3 H 1 2.193 0.00 . 1 . . . . A 84 GLU HG3 . 34463 1 852 . 1 1 84 84 GLU CA C 13 56.956 0.00 . 1 . . . . A 84 GLU CA . 34463 1 853 . 1 1 84 84 GLU CB C 13 26.721 0.00 . 1 . . . . A 84 GLU CB . 34463 1 854 . 1 1 84 84 GLU CG C 13 36.846 0.00 . 1 . . . . A 84 GLU CG . 34463 1 855 . 1 1 84 84 GLU N N 15 116.743 0.00 . 1 . . . . A 84 GLU N . 34463 1 856 . 1 1 85 85 ILE H H 1 8.537 0.00 . 1 . . . . A 85 ILE H . 34463 1 857 . 1 1 85 85 ILE HA H 1 4.101 0.00 . 1 . . . . A 85 ILE HA . 34463 1 858 . 1 1 85 85 ILE HB H 1 1.595 0.00 . 1 . . . . A 85 ILE HB . 34463 1 859 . 1 1 85 85 ILE HG12 H 1 1.655 0.00 . 1 . . . . A 85 ILE HG12 . 34463 1 860 . 1 1 85 85 ILE HG13 H 1 0.770 0.00 . 1 . . . . A 85 ILE HG13 . 34463 1 861 . 1 1 85 85 ILE HG21 H 1 0.875 0.00 . 1 . . . . A 85 ILE HG21 . 34463 1 862 . 1 1 85 85 ILE HG22 H 1 0.875 0.00 . 1 . . . . A 85 ILE HG22 . 34463 1 863 . 1 1 85 85 ILE HG23 H 1 0.875 0.00 . 1 . . . . A 85 ILE HG23 . 34463 1 864 . 1 1 85 85 ILE HD11 H 1 1.975 0.00 . 1 . . . . A 85 ILE HD11 . 34463 1 865 . 1 1 85 85 ILE HD12 H 1 1.975 0.00 . 1 . . . . A 85 ILE HD12 . 34463 1 866 . 1 1 85 85 ILE HD13 H 1 1.975 0.00 . 1 . . . . A 85 ILE HD13 . 34463 1 867 . 1 1 85 85 ILE CA C 13 60.285 0.01 . 1 . . . . A 85 ILE CA . 34463 1 868 . 1 1 85 85 ILE CB C 13 38.951 0.00 . 1 . . . . A 85 ILE CB . 34463 1 869 . 1 1 85 85 ILE CG1 C 13 27.474 0.00 . 1 . . . . A 85 ILE CG1 . 34463 1 870 . 1 1 85 85 ILE CG2 C 13 18.028 0.00 . 1 . . . . A 85 ILE CG2 . 34463 1 871 . 1 1 85 85 ILE CD1 C 13 17.470 0.00 . 1 . . . . A 85 ILE CD1 . 34463 1 872 . 1 1 85 85 ILE N N 15 119.823 0.00 . 1 . . . . A 85 ILE N . 34463 1 873 . 1 1 86 86 ALA H H 1 8.536 0.00 . 1 . . . . A 86 ALA H . 34463 1 874 . 1 1 86 86 ALA HA H 1 4.451 0.00 . 1 . . . . A 86 ALA HA . 34463 1 875 . 1 1 86 86 ALA HB1 H 1 1.437 0.00 . 1 . . . . A 86 ALA HB1 . 34463 1 876 . 1 1 86 86 ALA HB2 H 1 1.437 0.00 . 1 . . . . A 86 ALA HB2 . 34463 1 877 . 1 1 86 86 ALA HB3 H 1 1.437 0.00 . 1 . . . . A 86 ALA HB3 . 34463 1 878 . 1 1 86 86 ALA CA C 13 50.844 0.00 . 1 . . . . A 86 ALA CA . 34463 1 879 . 1 1 86 86 ALA CB C 13 17.727 0.00 . 1 . . . . A 86 ALA CB . 34463 1 880 . 1 1 86 86 ALA N N 15 131.526 0.00 . 1 . . . . A 86 ALA N . 34463 1 881 . 1 1 87 87 PRO HA H 1 4.284 0.00 . 1 . . . . A 87 PRO HA . 34463 1 882 . 1 1 87 87 PRO HB2 H 1 2.421 0.00 . 1 . . . . A 87 PRO HB2 . 34463 1 883 . 1 1 87 87 PRO HB3 H 1 1.988 0.00 . 1 . . . . A 87 PRO HB3 . 34463 1 884 . 1 1 87 87 PRO CA C 13 65.024 0.00 . 1 . . . . A 87 PRO CA . 34463 1 885 . 1 1 87 87 PRO CB C 13 32.058 0.00 . 1 . . . . A 87 PRO CB . 34463 1 886 . 1 1 88 88 THR H H 1 7.164 0.00 . 1 . . . . A 88 THR H . 34463 1 887 . 1 1 88 88 THR HA H 1 4.174 0.00 . 1 . . . . A 88 THR HA . 34463 1 888 . 1 1 88 88 THR HB H 1 4.520 0.00 . 1 . . . . A 88 THR HB . 34463 1 889 . 1 1 88 88 THR HG21 H 1 1.201 0.00 . 1 . . . . A 88 THR HG21 . 34463 1 890 . 1 1 88 88 THR HG22 H 1 1.201 0.00 . 1 . . . . A 88 THR HG22 . 34463 1 891 . 1 1 88 88 THR HG23 H 1 1.201 0.00 . 1 . . . . A 88 THR HG23 . 34463 1 892 . 1 1 88 88 THR CA C 13 60.528 0.01 . 1 . . . . A 88 THR CA . 34463 1 893 . 1 1 88 88 THR CB C 13 69.037 0.00 . 1 . . . . A 88 THR CB . 34463 1 894 . 1 1 88 88 THR CG2 C 13 21.893 0.00 . 1 . . . . A 88 THR CG2 . 34463 1 895 . 1 1 88 88 THR N N 15 103.823 0.00 . 1 . . . . A 88 THR N . 34463 1 896 . 1 1 89 89 ARG H H 1 7.784 0.00 . 1 . . . . A 89 ARG H . 34463 1 897 . 1 1 89 89 ARG HA H 1 4.131 0.00 . 1 . . . . A 89 ARG HA . 34463 1 898 . 1 1 89 89 ARG HB2 H 1 1.750 0.00 . 1 . . . . A 89 ARG HB2 . 34463 1 899 . 1 1 89 89 ARG HB3 H 1 1.965 0.00 . 1 . . . . A 89 ARG HB3 . 34463 1 900 . 1 1 89 89 ARG HG3 H 1 0.871 0.00 . 1 . . . . A 89 ARG HG3 . 34463 1 901 . 1 1 89 89 ARG HD2 H 1 3.496 0.00 . 1 . . . . A 89 ARG HD2 . 34463 1 902 . 1 1 89 89 ARG HD3 H 1 3.193 0.00 . 1 . . . . A 89 ARG HD3 . 34463 1 903 . 1 1 89 89 ARG HE H 1 8.534 0.00 . 1 . . . . A 89 ARG HE . 34463 1 904 . 1 1 89 89 ARG CA C 13 56.380 0.05 . 1 . . . . A 89 ARG CA . 34463 1 905 . 1 1 89 89 ARG CB C 13 30.289 0.00 . 1 . . . . A 89 ARG CB . 34463 1 906 . 1 1 89 89 ARG CG C 13 25.479 0.00 . 1 . . . . A 89 ARG CG . 34463 1 907 . 1 1 89 89 ARG CD C 13 42.202 0.00 . 1 . . . . A 89 ARG CD . 34463 1 908 . 1 1 89 89 ARG N N 15 122.661 0.00 . 1 . . . . A 89 ARG N . 34463 1 909 . 1 1 89 89 ARG NE N 15 85.837 0.00 . 1 . . . . A 89 ARG NE . 34463 1 910 . 1 1 90 90 ARG H H 1 9.043 0.00 . 1 . . . . A 90 ARG H . 34463 1 911 . 1 1 90 90 ARG HA H 1 5.070 0.00 . 1 . . . . A 90 ARG HA . 34463 1 912 . 1 1 90 90 ARG HB2 H 1 1.727 0.00 . 1 . . . . A 90 ARG HB2 . 34463 1 913 . 1 1 90 90 ARG HB3 H 1 2.036 0.00 . 1 . . . . A 90 ARG HB3 . 34463 1 914 . 1 1 90 90 ARG HG2 H 1 0.760 0.00 . 1 . . . . A 90 ARG HG2 . 34463 1 915 . 1 1 90 90 ARG HG3 H 1 1.556 0.00 . 1 . . . . A 90 ARG HG3 . 34463 1 916 . 1 1 90 90 ARG HD2 H 1 3.266 0.00 . 1 . . . . A 90 ARG HD2 . 34463 1 917 . 1 1 90 90 ARG HD3 H 1 3.800 0.00 . 1 . . . . A 90 ARG HD3 . 34463 1 918 . 1 1 90 90 ARG HE H 1 8.123 0.00 . 1 . . . . A 90 ARG HE . 34463 1 919 . 1 1 90 90 ARG HH22 H 1 8.227 0.00 . 1 . . . . A 90 ARG HH22 . 34463 1 920 . 1 1 90 90 ARG CA C 13 54.395 0.01 . 1 . . . . A 90 ARG CA . 34463 1 921 . 1 1 90 90 ARG CB C 13 31.324 0.00 . 1 . . . . A 90 ARG CB . 34463 1 922 . 1 1 90 90 ARG CG C 13 28.222 0.00 . 1 . . . . A 90 ARG CG . 34463 1 923 . 1 1 90 90 ARG CD C 13 43.974 0.00 . 1 . . . . A 90 ARG CD . 34463 1 924 . 1 1 90 90 ARG N N 15 127.025 0.00 . 1 . . . . A 90 ARG N . 34463 1 925 . 1 1 90 90 ARG NE N 15 82.558 0.00 . 1 . . . . A 90 ARG NE . 34463 1 926 . 1 1 90 90 ARG NH2 N 15 75.109 0.00 . 1 . . . . A 90 ARG NH2 . 34463 1 927 . 1 1 91 91 LEU H H 1 8.530 0.00 . 1 . . . . A 91 LEU H . 34463 1 928 . 1 1 91 91 LEU HA H 1 4.329 0.00 . 1 . . . . A 91 LEU HA . 34463 1 929 . 1 1 91 91 LEU HB2 H 1 1.534 0.00 . 1 . . . . A 91 LEU HB2 . 34463 1 930 . 1 1 91 91 LEU HB3 H 1 1.472 0.00 . 1 . . . . A 91 LEU HB3 . 34463 1 931 . 1 1 91 91 LEU HG H 1 2.244 0.00 . 1 . . . . A 91 LEU HG . 34463 1 932 . 1 1 91 91 LEU HD21 H 1 1.805 0.00 . 1 . . . . A 91 LEU HD21 . 34463 1 933 . 1 1 91 91 LEU HD22 H 1 1.805 0.00 . 1 . . . . A 91 LEU HD22 . 34463 1 934 . 1 1 91 91 LEU HD23 H 1 1.805 0.00 . 1 . . . . A 91 LEU HD23 . 34463 1 935 . 1 1 91 91 LEU CA C 13 55.170 0.00 . 1 . . . . A 91 LEU CA . 34463 1 936 . 1 1 91 91 LEU CB C 13 42.146 0.00 . 1 . . . . A 91 LEU CB . 34463 1 937 . 1 1 91 91 LEU CG C 13 31.398 0.00 . 1 . . . . A 91 LEU CG . 34463 1 938 . 1 1 91 91 LEU CD2 C 13 27.803 0.00 . 1 . . . . A 91 LEU CD2 . 34463 1 939 . 1 1 91 91 LEU N N 15 118.814 0.00 . 1 . . . . A 91 LEU N . 34463 1 940 . 1 1 92 92 ARG H H 1 7.885 0.00 . 1 . . . . A 92 ARG H . 34463 1 941 . 1 1 92 92 ARG HA H 1 4.151 0.01 . 1 . . . . A 92 ARG HA . 34463 1 942 . 1 1 92 92 ARG HB2 H 1 1.434 0.00 . 1 . . . . A 92 ARG HB2 . 34463 1 943 . 1 1 92 92 ARG HB3 H 1 1.661 0.00 . 1 . . . . A 92 ARG HB3 . 34463 1 944 . 1 1 92 92 ARG HG3 H 1 1.262 0.00 . 1 . . . . A 92 ARG HG3 . 34463 1 945 . 1 1 92 92 ARG HD2 H 1 3.197 0.00 . 1 . . . . A 92 ARG HD2 . 34463 1 946 . 1 1 92 92 ARG HD3 H 1 2.960 0.00 . 1 . . . . A 92 ARG HD3 . 34463 1 947 . 1 1 92 92 ARG CA C 13 57.201 0.01 . 1 . . . . A 92 ARG CA . 34463 1 948 . 1 1 92 92 ARG CB C 13 29.138 0.00 . 1 . . . . A 92 ARG CB . 34463 1 949 . 1 1 92 92 ARG CG C 13 29.329 0.00 . 1 . . . . A 92 ARG CG . 34463 1 950 . 1 1 92 92 ARG CD C 13 41.841 0.00 . 1 . . . . A 92 ARG CD . 34463 1 951 . 1 1 92 92 ARG N N 15 125.618 0.00 . 1 . . . . A 92 ARG N . 34463 1 952 . 1 1 93 93 GLY H H 1 8.195 0.00 . 1 . . . . A 93 GLY H . 34463 1 953 . 1 1 93 93 GLY HA2 H 1 4.193 0.00 . 1 . . . . A 93 GLY HA2 . 34463 1 954 . 1 1 93 93 GLY HA3 H 1 4.651 0.00 . 1 . . . . A 93 GLY HA3 . 34463 1 955 . 1 1 93 93 GLY CA C 13 44.703 0.00 . 1 . . . . A 93 GLY CA . 34463 1 956 . 1 1 93 93 GLY N N 15 108.005 0.00 . 1 . . . . A 93 GLY N . 34463 1 957 . 1 1 94 94 LEU H H 1 7.242 0.00 . 1 . . . . A 94 LEU H . 34463 1 958 . 1 1 94 94 LEU HA H 1 4.179 0.00 . 1 . . . . A 94 LEU HA . 34463 1 959 . 1 1 94 94 LEU HB2 H 1 1.762 0.00 . 1 . . . . A 94 LEU HB2 . 34463 1 960 . 1 1 94 94 LEU HB3 H 1 1.540 0.00 . 1 . . . . A 94 LEU HB3 . 34463 1 961 . 1 1 94 94 LEU HG H 1 2.352 0.00 . 1 . . . . A 94 LEU HG . 34463 1 962 . 1 1 94 94 LEU HD21 H 1 0.785 0.00 . 1 . . . . A 94 LEU HD21 . 34463 1 963 . 1 1 94 94 LEU HD22 H 1 0.785 0.00 . 1 . . . . A 94 LEU HD22 . 34463 1 964 . 1 1 94 94 LEU HD23 H 1 0.785 0.00 . 1 . . . . A 94 LEU HD23 . 34463 1 965 . 1 1 94 94 LEU CA C 13 55.636 0.01 . 1 . . . . A 94 LEU CA . 34463 1 966 . 1 1 94 94 LEU CB C 13 43.046 0.00 . 1 . . . . A 94 LEU CB . 34463 1 967 . 1 1 94 94 LEU CG C 13 28.684 0.00 . 1 . . . . A 94 LEU CG . 34463 1 968 . 1 1 94 94 LEU CD2 C 13 23.132 0.00 . 1 . . . . A 94 LEU CD2 . 34463 1 969 . 1 1 94 94 LEU N N 15 121.243 0.00 . 1 . . . . A 94 LEU N . 34463 1 970 . 1 1 95 95 GLY H H 1 8.629 0.00 . 1 . . . . A 95 GLY H . 34463 1 971 . 1 1 95 95 GLY HA3 H 1 3.860 0.00 . 1 . . . . A 95 GLY HA3 . 34463 1 972 . 1 1 95 95 GLY CA C 13 44.807 0.00 . 1 . . . . A 95 GLY CA . 34463 1 973 . 1 1 95 95 GLY N N 15 111.556 0.00 . 1 . . . . A 95 GLY N . 34463 1 974 . 1 1 97 97 ARG H H 1 8.081 0.00 . 1 . . . . A 97 ARG H . 34463 1 975 . 1 1 97 97 ARG HA H 1 3.992 0.00 . 1 . . . . A 97 ARG HA . 34463 1 976 . 1 1 97 97 ARG HB2 H 1 1.789 0.00 . 1 . . . . A 97 ARG HB2 . 34463 1 977 . 1 1 97 97 ARG HB3 H 1 1.909 0.00 . 1 . . . . A 97 ARG HB3 . 34463 1 978 . 1 1 97 97 ARG HG3 H 1 2.667 0.00 . 1 . . . . A 97 ARG HG3 . 34463 1 979 . 1 1 97 97 ARG HD3 H 1 3.174 0.00 . 1 . . . . A 97 ARG HD3 . 34463 1 980 . 1 1 97 97 ARG CA C 13 59.433 0.00 . 1 . . . . A 97 ARG CA . 34463 1 981 . 1 1 97 97 ARG CB C 13 29.443 0.00 . 1 . . . . A 97 ARG CB . 34463 1 982 . 1 1 97 97 ARG CG C 13 36.283 0.00 . 1 . . . . A 97 ARG CG . 34463 1 983 . 1 1 97 97 ARG CD C 13 42.046 0.00 . 1 . . . . A 97 ARG CD . 34463 1 984 . 1 1 97 97 ARG N N 15 121.429 0.00 . 1 . . . . A 97 ARG N . 34463 1 985 . 1 1 98 98 GLN H H 1 7.914 0.00 . 1 . . . . A 98 GLN H . 34463 1 986 . 1 1 98 98 GLN HA H 1 4.041 0.00 . 1 . . . . A 98 GLN HA . 34463 1 987 . 1 1 98 98 GLN HB2 H 1 1.697 0.00 . 1 . . . . A 98 GLN HB2 . 34463 1 988 . 1 1 98 98 GLN HB3 H 1 2.351 0.00 . 1 . . . . A 98 GLN HB3 . 34463 1 989 . 1 1 98 98 GLN HG3 H 1 2.542 0.00 . 1 . . . . A 98 GLN HG3 . 34463 1 990 . 1 1 98 98 GLN HE21 H 1 7.455 0.00 . 1 . . . . A 98 GLN HE21 . 34463 1 991 . 1 1 98 98 GLN HE22 H 1 8.622 0.00 . 1 . . . . A 98 GLN HE22 . 34463 1 992 . 1 1 98 98 GLN CA C 13 59.624 0.03 . 1 . . . . A 98 GLN CA . 34463 1 993 . 1 1 98 98 GLN CB C 13 28.364 0.00 . 1 . . . . A 98 GLN CB . 34463 1 994 . 1 1 98 98 GLN CG C 13 35.191 0.00 . 1 . . . . A 98 GLN CG . 34463 1 995 . 1 1 98 98 GLN N N 15 118.794 0.00 . 1 . . . . A 98 GLN N . 34463 1 996 . 1 1 98 98 GLN NE2 N 15 111.380 0.00 . 1 . . . . A 98 GLN NE2 . 34463 1 997 . 1 1 99 99 ARG H H 1 8.559 0.00 . 1 . . . . A 99 ARG H . 34463 1 998 . 1 1 99 99 ARG HA H 1 3.719 0.00 . 1 . . . . A 99 ARG HA . 34463 1 999 . 1 1 99 99 ARG HB2 H 1 1.881 0.00 . 1 . . . . A 99 ARG HB2 . 34463 1 1000 . 1 1 99 99 ARG HB3 H 1 1.640 0.00 . 1 . . . . A 99 ARG HB3 . 34463 1 1001 . 1 1 99 99 ARG HG3 H 1 1.461 0.00 . 1 . . . . A 99 ARG HG3 . 34463 1 1002 . 1 1 99 99 ARG HD3 H 1 3.275 0.00 . 1 . . . . A 99 ARG HD3 . 34463 1 1003 . 1 1 99 99 ARG HE H 1 7.866 0.00 . 1 . . . . A 99 ARG HE . 34463 1 1004 . 1 1 99 99 ARG CA C 13 60.624 0.02 . 1 . . . . A 99 ARG CA . 34463 1 1005 . 1 1 99 99 ARG CB C 13 30.482 0.00 . 1 . . . . A 99 ARG CB . 34463 1 1006 . 1 1 99 99 ARG CG C 13 28.749 0.00 . 1 . . . . A 99 ARG CG . 34463 1 1007 . 1 1 99 99 ARG CD C 13 44.191 0.00 . 1 . . . . A 99 ARG CD . 34463 1 1008 . 1 1 99 99 ARG N N 15 118.640 0.00 . 1 . . . . A 99 ARG N . 34463 1 1009 . 1 1 99 99 ARG NE N 15 85.599 0.00 . 1 . . . . A 99 ARG NE . 34463 1 1010 . 1 1 100 100 LYS H H 1 8.069 0.00 . 1 . . . . A 100 LYS H . 34463 1 1011 . 1 1 100 100 LYS HA H 1 3.889 0.00 . 1 . . . . A 100 LYS HA . 34463 1 1012 . 1 1 100 100 LYS HB2 H 1 1.857 0.00 . 1 . . . . A 100 LYS HB2 . 34463 1 1013 . 1 1 100 100 LYS HG2 H 1 1.540 0.00 . 1 . . . . A 100 LYS HG2 . 34463 1 1014 . 1 1 100 100 LYS HG3 H 1 1.356 0.00 . 1 . . . . A 100 LYS HG3 . 34463 1 1015 . 1 1 100 100 LYS CA C 13 59.616 0.01 . 1 . . . . A 100 LYS CA . 34463 1 1016 . 1 1 100 100 LYS CB C 13 32.343 0.00 . 1 . . . . A 100 LYS CB . 34463 1 1017 . 1 1 100 100 LYS CG C 13 25.475 0.00 . 1 . . . . A 100 LYS CG . 34463 1 1018 . 1 1 100 100 LYS N N 15 116.621 0.00 . 1 . . . . A 100 LYS N . 34463 1 1019 . 1 1 101 101 ALA H H 1 7.887 0.00 . 1 . . . . A 101 ALA H . 34463 1 1020 . 1 1 101 101 ALA HA H 1 4.180 0.00 . 1 . . . . A 101 ALA HA . 34463 1 1021 . 1 1 101 101 ALA HB1 H 1 1.515 0.00 . 1 . . . . A 101 ALA HB1 . 34463 1 1022 . 1 1 101 101 ALA HB2 H 1 1.515 0.00 . 1 . . . . A 101 ALA HB2 . 34463 1 1023 . 1 1 101 101 ALA HB3 H 1 1.515 0.00 . 1 . . . . A 101 ALA HB3 . 34463 1 1024 . 1 1 101 101 ALA CA C 13 54.722 0.01 . 1 . . . . A 101 ALA CA . 34463 1 1025 . 1 1 101 101 ALA CB C 13 18.902 0.00 . 1 . . . . A 101 ALA CB . 34463 1 1026 . 1 1 101 101 ALA N N 15 120.402 0.00 . 1 . . . . A 101 ALA N . 34463 1 1027 . 1 1 102 102 LEU H H 1 8.182 0.00 . 1 . . . . A 102 LEU H . 34463 1 1028 . 1 1 102 102 LEU HA H 1 3.958 0.00 . 1 . . . . A 102 LEU HA . 34463 1 1029 . 1 1 102 102 LEU HB2 H 1 1.957 0.00 . 1 . . . . A 102 LEU HB2 . 34463 1 1030 . 1 1 102 102 LEU HB3 H 1 1.460 0.00 . 1 . . . . A 102 LEU HB3 . 34463 1 1031 . 1 1 102 102 LEU HG H 1 1.814 0.00 . 1 . . . . A 102 LEU HG . 34463 1 1032 . 1 1 102 102 LEU HD21 H 1 0.772 0.00 . 1 . . . . A 102 LEU HD21 . 34463 1 1033 . 1 1 102 102 LEU HD22 H 1 0.772 0.00 . 1 . . . . A 102 LEU HD22 . 34463 1 1034 . 1 1 102 102 LEU HD23 H 1 0.772 0.00 . 1 . . . . A 102 LEU HD23 . 34463 1 1035 . 1 1 102 102 LEU CA C 13 58.019 0.01 . 1 . . . . A 102 LEU CA . 34463 1 1036 . 1 1 102 102 LEU CB C 13 42.010 0.00 . 1 . . . . A 102 LEU CB . 34463 1 1037 . 1 1 102 102 LEU CG C 13 26.671 0.00 . 1 . . . . A 102 LEU CG . 34463 1 1038 . 1 1 102 102 LEU CD2 C 13 24.496 0.00 . 1 . . . . A 102 LEU CD2 . 34463 1 1039 . 1 1 102 102 LEU N N 15 118.747 0.00 . 1 . . . . A 102 LEU N . 34463 1 1040 . 1 1 103 103 LEU H H 1 8.142 0.00 . 1 . . . . A 103 LEU H . 34463 1 1041 . 1 1 103 103 LEU HA H 1 3.911 0.01 . 1 . . . . A 103 LEU HA . 34463 1 1042 . 1 1 103 103 LEU HB2 H 1 1.907 0.00 . 1 . . . . A 103 LEU HB2 . 34463 1 1043 . 1 1 103 103 LEU HB3 H 1 1.416 0.00 . 1 . . . . A 103 LEU HB3 . 34463 1 1044 . 1 1 103 103 LEU HG H 1 1.742 0.00 . 1 . . . . A 103 LEU HG . 34463 1 1045 . 1 1 103 103 LEU HD11 H 1 1.016 0.00 . 1 . . . . A 103 LEU HD11 . 34463 1 1046 . 1 1 103 103 LEU HD12 H 1 1.016 0.00 . 1 . . . . A 103 LEU HD12 . 34463 1 1047 . 1 1 103 103 LEU HD13 H 1 1.016 0.00 . 1 . . . . A 103 LEU HD13 . 34463 1 1048 . 1 1 103 103 LEU HD21 H 1 0.838 0.00 . 1 . . . . A 103 LEU HD21 . 34463 1 1049 . 1 1 103 103 LEU HD22 H 1 0.838 0.00 . 1 . . . . A 103 LEU HD22 . 34463 1 1050 . 1 1 103 103 LEU HD23 H 1 0.838 0.00 . 1 . . . . A 103 LEU HD23 . 34463 1 1051 . 1 1 103 103 LEU CA C 13 57.740 0.01 . 1 . . . . A 103 LEU CA . 34463 1 1052 . 1 1 103 103 LEU CB C 13 41.044 0.00 . 1 . . . . A 103 LEU CB . 34463 1 1053 . 1 1 103 103 LEU CG C 13 26.845 0.00 . 1 . . . . A 103 LEU CG . 34463 1 1054 . 1 1 103 103 LEU CD1 C 13 23.786 0.00 . 1 . . . . A 103 LEU CD1 . 34463 1 1055 . 1 1 103 103 LEU CD2 C 13 23.748 0.00 . 1 . . . . A 103 LEU CD2 . 34463 1 1056 . 1 1 103 103 LEU N N 15 118.062 0.00 . 1 . . . . A 103 LEU N . 34463 1 1057 . 1 1 104 104 GLU H H 1 8.215 0.00 . 1 . . . . A 104 GLU H . 34463 1 1058 . 1 1 104 104 GLU HA H 1 3.994 0.00 . 1 . . . . A 104 GLU HA . 34463 1 1059 . 1 1 104 104 GLU HB2 H 1 2.006 0.00 . 1 . . . . A 104 GLU HB2 . 34463 1 1060 . 1 1 104 104 GLU HB3 H 1 2.090 0.00 . 1 . . . . A 104 GLU HB3 . 34463 1 1061 . 1 1 104 104 GLU HG2 H 1 2.182 0.00 . 1 . . . . A 104 GLU HG2 . 34463 1 1062 . 1 1 104 104 GLU HG3 H 1 2.393 0.00 . 1 . . . . A 104 GLU HG3 . 34463 1 1063 . 1 1 104 104 GLU CA C 13 58.848 0.00 . 1 . . . . A 104 GLU CA . 34463 1 1064 . 1 1 104 104 GLU CB C 13 29.370 0.00 . 1 . . . . A 104 GLU CB . 34463 1 1065 . 1 1 104 104 GLU CG C 13 36.483 0.00 . 1 . . . . A 104 GLU CG . 34463 1 1066 . 1 1 104 104 GLU N N 15 119.236 0.00 . 1 . . . . A 104 GLU N . 34463 1 1067 . 1 1 105 105 LYS H H 1 7.672 0.00 . 1 . . . . A 105 LYS H . 34463 1 1068 . 1 1 105 105 LYS HA H 1 3.936 0.00 . 1 . . . . A 105 LYS HA . 34463 1 1069 . 1 1 105 105 LYS HB2 H 1 1.568 0.00 . 1 . . . . A 105 LYS HB2 . 34463 1 1070 . 1 1 105 105 LYS HB3 H 1 1.170 0.00 . 1 . . . . A 105 LYS HB3 . 34463 1 1071 . 1 1 105 105 LYS HG2 H 1 0.788 0.00 . 1 . . . . A 105 LYS HG2 . 34463 1 1072 . 1 1 105 105 LYS HG3 H 1 1.037 0.00 . 1 . . . . A 105 LYS HG3 . 34463 1 1073 . 1 1 105 105 LYS HD2 H 1 1.686 0.00 . 1 . . . . A 105 LYS HD2 . 34463 1 1074 . 1 1 105 105 LYS HD3 H 1 2.065 0.00 . 1 . . . . A 105 LYS HD3 . 34463 1 1075 . 1 1 105 105 LYS HE2 H 1 2.891 0.00 . 1 . . . . A 105 LYS HE2 . 34463 1 1076 . 1 1 105 105 LYS HE3 H 1 2.760 0.00 . 1 . . . . A 105 LYS HE3 . 34463 1 1077 . 1 1 105 105 LYS CA C 13 57.843 0.00 . 1 . . . . A 105 LYS CA . 34463 1 1078 . 1 1 105 105 LYS CB C 13 32.396 0.00 . 1 . . . . A 105 LYS CB . 34463 1 1079 . 1 1 105 105 LYS CG C 13 24.472 0.00 . 1 . . . . A 105 LYS CG . 34463 1 1080 . 1 1 105 105 LYS CD C 13 29.547 0.00 . 1 . . . . A 105 LYS CD . 34463 1 1081 . 1 1 105 105 LYS CE C 13 41.440 0.00 . 1 . . . . A 105 LYS CE . 34463 1 1082 . 1 1 105 105 LYS N N 15 117.717 0.00 . 1 . . . . A 105 LYS N . 34463 1 1083 . 1 1 106 106 PHE H H 1 7.836 0.00 . 1 . . . . A 106 PHE H . 34463 1 1084 . 1 1 106 106 PHE HA H 1 4.833 0.00 . 1 . . . . A 106 PHE HA . 34463 1 1085 . 1 1 106 106 PHE HB2 H 1 2.656 0.00 . 1 . . . . A 106 PHE HB2 . 34463 1 1086 . 1 1 106 106 PHE HB3 H 1 3.466 0.00 . 1 . . . . A 106 PHE HB3 . 34463 1 1087 . 1 1 106 106 PHE CA C 13 57.756 0.01 . 1 . . . . A 106 PHE CA . 34463 1 1088 . 1 1 106 106 PHE CB C 13 39.916 0.00 . 1 . . . . A 106 PHE CB . 34463 1 1089 . 1 1 106 106 PHE N N 15 113.976 0.00 . 1 . . . . A 106 PHE N . 34463 1 1090 . 1 1 107 107 GLY H H 1 7.939 0.00 . 1 . . . . A 107 GLY H . 34463 1 1091 . 1 1 107 107 GLY HA2 H 1 3.993 0.00 . 1 . . . . A 107 GLY HA2 . 34463 1 1092 . 1 1 107 107 GLY HA3 H 1 4.151 0.00 . 1 . . . . A 107 GLY HA3 . 34463 1 1093 . 1 1 107 107 GLY CA C 13 46.095 0.01 . 1 . . . . A 107 GLY CA . 34463 1 1094 . 1 1 107 107 GLY N N 15 108.811 0.00 . 1 . . . . A 107 GLY N . 34463 1 1095 . 1 1 108 108 SER H H 1 8.232 0.00 . 1 . . . . A 108 SER H . 34463 1 1096 . 1 1 108 108 SER HA H 1 4.562 0.00 . 1 . . . . A 108 SER HA . 34463 1 1097 . 1 1 108 108 SER HB2 H 1 3.862 0.00 . 1 . . . . A 108 SER HB2 . 34463 1 1098 . 1 1 108 108 SER HB3 H 1 4.291 0.00 . 1 . . . . A 108 SER HB3 . 34463 1 1099 . 1 1 108 108 SER CA C 13 57.785 0.00 . 1 . . . . A 108 SER CA . 34463 1 1100 . 1 1 108 108 SER CB C 13 64.108 0.00 . 1 . . . . A 108 SER CB . 34463 1 1101 . 1 1 108 108 SER N N 15 114.988 0.01 . 1 . . . . A 108 SER N . 34463 1 1102 . 1 1 109 109 ALA H H 1 8.003 0.00 . 1 . . . . A 109 ALA H . 34463 1 1103 . 1 1 109 109 ALA HA H 1 4.142 0.00 . 1 . . . . A 109 ALA HA . 34463 1 1104 . 1 1 109 109 ALA HB1 H 1 1.363 0.00 . 1 . . . . A 109 ALA HB1 . 34463 1 1105 . 1 1 109 109 ALA HB2 H 1 1.363 0.00 . 1 . . . . A 109 ALA HB2 . 34463 1 1106 . 1 1 109 109 ALA HB3 H 1 1.363 0.00 . 1 . . . . A 109 ALA HB3 . 34463 1 1107 . 1 1 109 109 ALA CA C 13 53.847 0.00 . 1 . . . . A 109 ALA CA . 34463 1 1108 . 1 1 109 109 ALA CB C 13 20.056 0.00 . 1 . . . . A 109 ALA CB . 34463 1 1109 . 1 1 109 109 ALA N N 15 130.885 0.00 . 1 . . . . A 109 ALA N . 34463 1 stop_ save_