data_26749 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26749 _Entry.Title ; 1H, 13C, and 15N resonance assignments for human alpha-lactalbumin in its urea-denatured state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-25 _Entry.Accession_date 2016-02-25 _Entry.Last_release_date 2016-02-25 _Entry.Original_release_date 2016-02-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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_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 Lorena Varela . . . . 26749 2 Christina Redfield . . . . 26749 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26749 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Oxford' . 26749 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26749 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 506 26749 '15N chemical shifts' 121 26749 '1H chemical shifts' 773 26749 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 . . 2026-09-11 . original BMRB . 26749 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26747 'human alpha-lactalbumin in its molten globule state' 26749 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26749 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41571943 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments for human all-Ala alpha-lactalbumin in its molten globule and urea-denatured states ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 11 _Citation.Page_last 11 _Citation.Year 2026 _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 Lorena Varela L. . . . 26749 1 2 Lorna Smith L. J. . . 26749 1 3 Christina Redfield C. . . . 26749 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR resonance assignments' 26749 1 alpha-lactalbumin 26749 1 'molten globule state' 26749 1 'urea-denatured state' 26749 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26749 _Assembly.ID 1 _Assembly.Name 'allAla alpha-LA Urea Denatured' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'allAla alpha-LA Urea Denatured' 1 $allAla_alpha-LA A . yes denatured yes no . . . 26749 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_allAla_alpha-LA _Entity.Sf_category entity _Entity.Sf_framecode allAla_alpha-LA _Entity.Entry_ID 26749 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name allAla_alpha-LA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KQFTKAELSQLLKDIDGYGG IALPELIATMFHTSGYDTQA IVENNESTEYGLFQISNKLW AKSSQVPQSRNIADISADKF LDDDITDDIMAAKKILDIKG IDYWLAHKALATEKLEQWLA EKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Differs from wild-type alpha-lactalbumin in that all eight cysteines are replaced by alanine (residues 6, 28, 61, 73, 77, 91, 111, 120). ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; Differs from wild-type alpha-lactalbumin in that all eight cysteines are replaced by alanine (residues 6, 28, 61, 73, 77, 91, 111, 120). ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . LYS . 26749 1 2 . GLN . 26749 1 3 . PHE . 26749 1 4 . THR . 26749 1 5 . LYS . 26749 1 6 . ALA . 26749 1 7 . GLU . 26749 1 8 . LEU . 26749 1 9 . SER . 26749 1 10 . GLN . 26749 1 11 . LEU . 26749 1 12 . LEU . 26749 1 13 . LYS . 26749 1 14 . ASP . 26749 1 15 . ILE . 26749 1 16 . ASP . 26749 1 17 . GLY . 26749 1 18 . TYR . 26749 1 19 . GLY . 26749 1 20 . GLY . 26749 1 21 . ILE . 26749 1 22 . ALA . 26749 1 23 . LEU . 26749 1 24 . PRO . 26749 1 25 . GLU . 26749 1 26 . LEU . 26749 1 27 . ILE . 26749 1 28 . ALA . 26749 1 29 . THR . 26749 1 30 . MET . 26749 1 31 . PHE . 26749 1 32 . HIS . 26749 1 33 . THR . 26749 1 34 . SER . 26749 1 35 . GLY . 26749 1 36 . TYR . 26749 1 37 . ASP . 26749 1 38 . THR . 26749 1 39 . GLN . 26749 1 40 . ALA . 26749 1 41 . ILE . 26749 1 42 . VAL . 26749 1 43 . GLU . 26749 1 44 . ASN . 26749 1 45 . ASN . 26749 1 46 . GLU . 26749 1 47 . SER . 26749 1 48 . THR . 26749 1 49 . GLU . 26749 1 50 . TYR . 26749 1 51 . GLY . 26749 1 52 . LEU . 26749 1 53 . PHE . 26749 1 54 . GLN . 26749 1 55 . ILE . 26749 1 56 . SER . 26749 1 57 . ASN . 26749 1 58 . LYS . 26749 1 59 . LEU . 26749 1 60 . TRP . 26749 1 61 . ALA . 26749 1 62 . LYS . 26749 1 63 . SER . 26749 1 64 . SER . 26749 1 65 . GLN . 26749 1 66 . VAL . 26749 1 67 . PRO . 26749 1 68 . GLN . 26749 1 69 . SER . 26749 1 70 . ARG . 26749 1 71 . ASN . 26749 1 72 . ILE . 26749 1 73 . ALA . 26749 1 74 . ASP . 26749 1 75 . ILE . 26749 1 76 . SER . 26749 1 77 . ALA . 26749 1 78 . ASP . 26749 1 79 . LYS . 26749 1 80 . PHE . 26749 1 81 . LEU . 26749 1 82 . ASP . 26749 1 83 . ASP . 26749 1 84 . ASP . 26749 1 85 . ILE . 26749 1 86 . THR . 26749 1 87 . ASP . 26749 1 88 . ASP . 26749 1 89 . ILE . 26749 1 90 . MET . 26749 1 91 . ALA . 26749 1 92 . ALA . 26749 1 93 . LYS . 26749 1 94 . LYS . 26749 1 95 . ILE . 26749 1 96 . LEU . 26749 1 97 . ASP . 26749 1 98 . ILE . 26749 1 99 . LYS . 26749 1 100 . GLY . 26749 1 101 . ILE . 26749 1 102 . ASP . 26749 1 103 . TYR . 26749 1 104 . TRP . 26749 1 105 . LEU . 26749 1 106 . ALA . 26749 1 107 . HIS . 26749 1 108 . LYS . 26749 1 109 . ALA . 26749 1 110 . LEU . 26749 1 111 . ALA . 26749 1 112 . THR . 26749 1 113 . GLU . 26749 1 114 . LYS . 26749 1 115 . LEU . 26749 1 116 . GLU . 26749 1 117 . GLN . 26749 1 118 . TRP . 26749 1 119 . LEU . 26749 1 120 . ALA . 26749 1 121 . GLU . 26749 1 122 . LYS . 26749 1 123 . LEU . 26749 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 . LYS 1 1 26749 1 . GLN 2 2 26749 1 . PHE 3 3 26749 1 . THR 4 4 26749 1 . LYS 5 5 26749 1 . ALA 6 6 26749 1 . GLU 7 7 26749 1 . LEU 8 8 26749 1 . SER 9 9 26749 1 . GLN 10 10 26749 1 . LEU 11 11 26749 1 . LEU 12 12 26749 1 . LYS 13 13 26749 1 . ASP 14 14 26749 1 . ILE 15 15 26749 1 . ASP 16 16 26749 1 . GLY 17 17 26749 1 . TYR 18 18 26749 1 . GLY 19 19 26749 1 . GLY 20 20 26749 1 . ILE 21 21 26749 1 . ALA 22 22 26749 1 . LEU 23 23 26749 1 . PRO 24 24 26749 1 . GLU 25 25 26749 1 . LEU 26 26 26749 1 . ILE 27 27 26749 1 . ALA 28 28 26749 1 . THR 29 29 26749 1 . MET 30 30 26749 1 . PHE 31 31 26749 1 . HIS 32 32 26749 1 . THR 33 33 26749 1 . SER 34 34 26749 1 . GLY 35 35 26749 1 . TYR 36 36 26749 1 . ASP 37 37 26749 1 . THR 38 38 26749 1 . GLN 39 39 26749 1 . ALA 40 40 26749 1 . ILE 41 41 26749 1 . VAL 42 42 26749 1 . GLU 43 43 26749 1 . ASN 44 44 26749 1 . ASN 45 45 26749 1 . GLU 46 46 26749 1 . SER 47 47 26749 1 . THR 48 48 26749 1 . GLU 49 49 26749 1 . TYR 50 50 26749 1 . GLY 51 51 26749 1 . LEU 52 52 26749 1 . PHE 53 53 26749 1 . GLN 54 54 26749 1 . ILE 55 55 26749 1 . SER 56 56 26749 1 . ASN 57 57 26749 1 . LYS 58 58 26749 1 . LEU 59 59 26749 1 . TRP 60 60 26749 1 . ALA 61 61 26749 1 . LYS 62 62 26749 1 . SER 63 63 26749 1 . SER 64 64 26749 1 . GLN 65 65 26749 1 . VAL 66 66 26749 1 . PRO 67 67 26749 1 . GLN 68 68 26749 1 . SER 69 69 26749 1 . ARG 70 70 26749 1 . ASN 71 71 26749 1 . ILE 72 72 26749 1 . ALA 73 73 26749 1 . ASP 74 74 26749 1 . ILE 75 75 26749 1 . SER 76 76 26749 1 . ALA 77 77 26749 1 . ASP 78 78 26749 1 . LYS 79 79 26749 1 . PHE 80 80 26749 1 . LEU 81 81 26749 1 . ASP 82 82 26749 1 . ASP 83 83 26749 1 . ASP 84 84 26749 1 . ILE 85 85 26749 1 . THR 86 86 26749 1 . ASP 87 87 26749 1 . ASP 88 88 26749 1 . ILE 89 89 26749 1 . MET 90 90 26749 1 . ALA 91 91 26749 1 . ALA 92 92 26749 1 . LYS 93 93 26749 1 . LYS 94 94 26749 1 . ILE 95 95 26749 1 . LEU 96 96 26749 1 . ASP 97 97 26749 1 . ILE 98 98 26749 1 . LYS 99 99 26749 1 . GLY 100 100 26749 1 . ILE 101 101 26749 1 . ASP 102 102 26749 1 . TYR 103 103 26749 1 . TRP 104 104 26749 1 . LEU 105 105 26749 1 . ALA 106 106 26749 1 . HIS 107 107 26749 1 . LYS 108 108 26749 1 . ALA 109 109 26749 1 . LEU 110 110 26749 1 . ALA 111 111 26749 1 . THR 112 112 26749 1 . GLU 113 113 26749 1 . LYS 114 114 26749 1 . LEU 115 115 26749 1 . GLU 116 116 26749 1 . GLN 117 117 26749 1 . TRP 118 118 26749 1 . LEU 119 119 26749 1 . ALA 120 120 26749 1 . GLU 121 121 26749 1 . LYS 122 122 26749 1 . LEU 123 123 26749 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 26749 _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 $allAla_alpha-LA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . ; differs from wild-type alpha-lactalbumin in that all eight cysteines are replaced by alanine (residues 6, 28, 61, 73, 77, 91, 111, 120) ; 26749 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 26749 _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 $allAla_alpha-LA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-30 . . . 26749 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_15N_13C_urea _Sample.Sf_category sample _Sample.Sf_framecode sample_15N_13C_urea _Sample.Entry_ID 26749 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'allAla alpha-LA' '[U-99% 13C; U-99% 15N]' . . 1 $allAla_alpha-LA . . 0.3 . . mM . . . . 26749 1 2 urea 'natural abundance' . . . . . . 8 . . M . . . . 26749 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_urea _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_urea _Sample_condition_list.Entry_ID 26749 _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 pH 2 . pH 26749 1 pressure 1 . atm 26749 1 temperature 293 . K 26749 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26749 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26749 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26749 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26749 _Software.ID 2 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26749 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 26749 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_600_MHz _NMR_spectrometer.Entry_ID 26749 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Omega_750_Mhz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Omega_750_Mhz _NMR_spectrometer.Entry_ID 26749 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_Bruker_Avance_500_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_500_MHz _NMR_spectrometer.Entry_ID 26749 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_Bruker_Avance_750_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_750_MHz _NMR_spectrometer.Entry_ID 26749 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26749 _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 Bruker_Avance_600_MHz Bruker Avance . 600 . . . 26749 1 2 Omega_750_Mhz Home-built OMEGA . 750 . . . 26749 1 3 Bruker_Avance_500_MHz Bruker Avance . 500 . . . 26749 1 4 Bruker_Avance_750_MHz Bruker Avance . 750 . . . 26749 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 26749 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_15N_13C_urea isotropic . . 1 $sample_conditions_urea . . . 2 $Omega_750_Mhz . . . . . . . . . . . . . . . . . 26749 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_15N_13C_urea isotropic . . 1 $sample_conditions_urea . . . 2 $Omega_750_Mhz . . . . . . . . . . . . . . . . . 26749 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_15N_13C_urea isotropic . . 1 $sample_conditions_urea . . . 2 $Omega_750_Mhz . . . . . . . . . . . . . . . . . 26749 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_15N_13C_urea isotropic . . 1 $sample_conditions_urea . . . 2 $Omega_750_Mhz . . . . . . . . . . . . . . . . . 26749 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_15N_13C_urea isotropic . . 1 $sample_conditions_urea . . . 2 $Omega_750_Mhz . . . . . . . . . . . . . . . . . 26749 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_15N_13C_urea isotropic . . 1 $sample_conditions_urea . . . 1 $Bruker_Avance_600_MHz . . . . . . . . . . . . . . . . . 26749 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_15N_13C_urea isotropic . . 1 $sample_conditions_urea . . . 1 $Bruker_Avance_600_MHz . . . . . . . . . . . . . . . . . 26749 1 8 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_15N_13C_urea isotropic . . 1 $sample_conditions_urea . . . 1 $Bruker_Avance_600_MHz . . . . . . . . . . . . . . . . . 26749 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_15N_13C_urea isotropic . . 1 $sample_conditions_urea . . . 1 $Bruker_Avance_500_MHz . . . . . . . . . . . . . . . . . 26749 1 10 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_15N_13C_urea isotropic . . 1 $sample_conditions_urea . . . 1 $Bruker_Avance_750_MHz . . . . . . . . . . . . . . . . . 26749 1 11 '3D (H)C(CO)NH' no . . . . . . . . . . . . 1 $sample_15N_13C_urea isotropic . . 1 $sample_conditions_urea . . . 1 $Bruker_Avance_750_MHz . . . . . . . . . . . . . . . . . 26749 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_2 _Chem_shift_reference.Entry_ID 26749 _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 water protons . . . . ppm 5.02 internal indirect 0.251449530 . . . . . 26749 1 H 1 water protons . . . . ppm 5.02 internal direct 1.0 . . . 'chemical shift of water in 8M urea at 293K was measured relative to DSS in a separate sample' . 26749 1 N 15 water protons . . . . ppm 5.02 internal indirect 0.101329118 . . . . . 26749 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_urea _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_urea _Assigned_chem_shift_list.Entry_ID 26749 _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_urea _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_2 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 estimate _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26749 1 2 '3D HNCA' . . . 26749 1 3 '3D CBCA(CO)NH' . . . 26749 1 4 '3D HNCO' . . . 26749 1 5 '3D HN(CO)CA' . . . 26749 1 6 '3D HBHA(CO)NH' . . . 26749 1 8 '3D HN(CA)CO' . . . 26749 1 9 '3D HCCH-TOCSY' . . . 26749 1 10 '3D H(CCO)NH' . . . 26749 1 11 '3D (H)C(CO)NH' . . . 26749 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CcpNmr_Analysis . . 26749 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 LYS C C 13 176.195 0.200 . 1 . . . . . 1 LYS C . 26749 1 2 . 1 . 1 1 1 LYS CA C 13 56.431 0.200 . 1 . . . . . 1 LYS CA . 26749 1 3 . 1 . 1 1 1 LYS CB C 13 33.391 0.200 . 1 . . . . . 1 LYS CB . 26749 1 4 . 1 . 1 1 1 LYS CD C 13 29.188 0.200 . 1 . . . . . 1 LYS CD . 26749 1 5 . 1 . 1 1 1 LYS CE C 13 42.160 0.200 . 1 . . . . . 1 LYS CE . 26749 1 6 . 1 . 1 1 1 LYS CG C 13 24.865 0.200 . 1 . . . . . 1 LYS CG . 26749 1 7 . 1 . 1 1 1 LYS H H 1 8.657 0.020 . 1 . . . . . 1 LYS H3 . 26749 1 8 . 1 . 1 1 1 LYS HA H 1 4.289 0.020 . 1 . . . . . 1 LYS HA . 26749 1 9 . 1 . 1 1 1 LYS HB2 H 1 1.680 0.020 . 2 . . . . . 1 LYS HB2 . 26749 1 10 . 1 . 1 1 1 LYS HB3 H 1 1.667 0.020 . 2 . . . . . 1 LYS HB3 . 26749 1 11 . 1 . 1 1 1 LYS HE2 H 1 2.939 0.020 . 1 . . . . . 1 LYS HE2 . 26749 1 12 . 1 . 1 1 1 LYS HE3 H 1 2.939 0.020 . 1 . . . . . 1 LYS HE3 . 26749 1 13 . 1 . 1 1 1 LYS N N 15 121.403 0.200 . 1 . . . . . 1 LYS N . 26749 1 14 . 1 . 1 2 2 GLN C C 13 175.640 0.200 . 1 . . . . . 2 GLN C . 26749 1 15 . 1 . 1 2 2 GLN CA C 13 55.590 0.200 . 1 . . . . . 2 GLN CA . 26749 1 16 . 1 . 1 2 2 GLN CB C 13 29.674 0.200 . 1 . . . . . 2 GLN CB . 26749 1 17 . 1 . 1 2 2 GLN CG C 13 33.697 0.200 . 1 . . . . . 2 GLN CG . 26749 1 18 . 1 . 1 2 2 GLN H H 1 8.553 0.020 . 1 . . . . . 2 GLN H . 26749 1 19 . 1 . 1 2 2 GLN HA H 1 4.315 0.020 . 1 . . . . . 2 GLN HA . 26749 1 20 . 1 . 1 2 2 GLN HB2 H 1 1.910 0.020 . 2 . . . . . 2 GLN HB2 . 26749 1 21 . 1 . 1 2 2 GLN HB3 H 1 1.958 0.020 . 2 . . . . . 2 GLN HB3 . 26749 1 22 . 1 . 1 2 2 GLN HG2 H 1 2.288 0.020 . 1 . . . . . 2 GLN HG2 . 26749 1 23 . 1 . 1 2 2 GLN HG3 H 1 2.288 0.020 . 1 . . . . . 2 GLN HG3 . 26749 1 24 . 1 . 1 2 2 GLN N N 15 122.352 0.200 . 1 . . . . . 2 GLN N . 26749 1 25 . 1 . 1 3 3 PHE C C 13 176.069 0.200 . 1 . . . . . 3 PHE C . 26749 1 26 . 1 . 1 3 3 PHE CA C 13 57.494 0.200 . 1 . . . . . 3 PHE CA . 26749 1 27 . 1 . 1 3 3 PHE CB C 13 39.969 0.200 . 1 . . . . . 3 PHE CB . 26749 1 28 . 1 . 1 3 3 PHE H H 1 8.556 0.020 . 1 . . . . . 3 PHE H . 26749 1 29 . 1 . 1 3 3 PHE HA H 1 4.762 0.020 . 1 . . . . . 3 PHE HA . 26749 1 30 . 1 . 1 3 3 PHE HB2 H 1 2.961 0.020 . 2 . . . . . 3 PHE HB2 . 26749 1 31 . 1 . 1 3 3 PHE HB3 H 1 3.159 0.020 . 2 . . . . . 3 PHE HB3 . 26749 1 32 . 1 . 1 3 3 PHE N N 15 122.194 0.200 . 1 . . . . . 3 PHE N . 26749 1 33 . 1 . 1 4 4 THR C C 13 174.384 0.200 . 1 . . . . . 4 THR C . 26749 1 34 . 1 . 1 4 4 THR CA C 13 61.271 0.200 . 1 . . . . . 4 THR CA . 26749 1 35 . 1 . 1 4 4 THR CB C 13 70.332 0.200 . 1 . . . . . 4 THR CB . 26749 1 36 . 1 . 1 4 4 THR CG2 C 13 21.664 0.200 . 1 . . . . . 4 THR CG2 . 26749 1 37 . 1 . 1 4 4 THR H H 1 8.193 0.020 . 1 . . . . . 4 THR H . 26749 1 38 . 1 . 1 4 4 THR HA H 1 4.377 0.020 . 1 . . . . . 4 THR HA . 26749 1 39 . 1 . 1 4 4 THR HB H 1 4.304 0.020 . 1 . . . . . 4 THR HB . 26749 1 40 . 1 . 1 4 4 THR HG21 H 1 1.225 0.020 . 1 . . . . . 4 THR HG21 . 26749 1 41 . 1 . 1 4 4 THR HG22 H 1 1.225 0.020 . 1 . . . . . 4 THR HG22 . 26749 1 42 . 1 . 1 4 4 THR HG23 H 1 1.225 0.020 . 1 . . . . . 4 THR HG23 . 26749 1 43 . 1 . 1 4 4 THR N N 15 115.667 0.200 . 1 . . . . . 4 THR N . 26749 1 44 . 1 . 1 5 5 LYS C C 13 176.944 0.200 . 1 . . . . . 5 LYS C . 26749 1 45 . 1 . 1 5 5 LYS CA C 13 57.517 0.200 . 1 . . . . . 5 LYS CA . 26749 1 46 . 1 . 1 5 5 LYS CB C 13 32.902 0.200 . 1 . . . . . 5 LYS CB . 26749 1 47 . 1 . 1 5 5 LYS CD C 13 29.304 0.200 . 1 . . . . . 5 LYS CD . 26749 1 48 . 1 . 1 5 5 LYS CE C 13 42.198 0.200 . 1 . . . . . 5 LYS CE . 26749 1 49 . 1 . 1 5 5 LYS CG C 13 25.090 0.200 . 1 . . . . . 5 LYS CG . 26749 1 50 . 1 . 1 5 5 LYS H H 1 8.520 0.020 . 1 . . . . . 5 LYS H . 26749 1 51 . 1 . 1 5 5 LYS HA H 1 4.188 0.020 . 1 . . . . . 5 LYS HA . 26749 1 52 . 1 . 1 5 5 LYS HB2 H 1 1.786 0.020 . 2 . . . . . 5 LYS HB2 . 26749 1 53 . 1 . 1 5 5 LYS HB3 H 1 1.838 0.020 . 2 . . . . . 5 LYS HB3 . 26749 1 54 . 1 . 1 5 5 LYS HD2 H 1 1.701 0.020 . 1 . . . . . 5 LYS HD2 . 26749 1 55 . 1 . 1 5 5 LYS HE2 H 1 2.993 0.020 . 1 . . . . . 5 LYS HE2 . 26749 1 56 . 1 . 1 5 5 LYS HE3 H 1 2.993 0.020 . 1 . . . . . 5 LYS HE3 . 26749 1 57 . 1 . 1 5 5 LYS HG2 H 1 1.443 0.020 . 2 . . . . . 5 LYS HG2 . 26749 1 58 . 1 . 1 5 5 LYS HG3 H 1 1.501 0.020 . 2 . . . . . 5 LYS HG3 . 26749 1 59 . 1 . 1 5 5 LYS N N 15 123.593 0.200 . 1 . . . . . 5 LYS N . 26749 1 60 . 1 . 1 6 6 ALA C C 13 178.315 0.200 . 1 . . . . . 6 ALA C . 26749 1 61 . 1 . 1 6 6 ALA CA C 13 53.165 0.200 . 1 . . . . . 6 ALA CA . 26749 1 62 . 1 . 1 6 6 ALA CB C 13 19.095 0.200 . 1 . . . . . 6 ALA CB . 26749 1 63 . 1 . 1 6 6 ALA H H 1 8.432 0.020 . 1 . . . . . 6 ALA H . 26749 1 64 . 1 . 1 6 6 ALA HA H 1 4.240 0.020 . 1 . . . . . 6 ALA HA . 26749 1 65 . 1 . 1 6 6 ALA HB1 H 1 1.385 0.020 . 1 . . . . . 6 ALA HB1 . 26749 1 66 . 1 . 1 6 6 ALA HB2 H 1 1.385 0.020 . 1 . . . . . 6 ALA HB2 . 26749 1 67 . 1 . 1 6 6 ALA HB3 H 1 1.385 0.020 . 1 . . . . . 6 ALA HB3 . 26749 1 68 . 1 . 1 6 6 ALA N N 15 124.513 0.200 . 1 . . . . . 6 ALA N . 26749 1 69 . 1 . 1 7 7 GLU C C 13 176.733 0.200 . 1 . . . . . 7 GLU C . 26749 1 70 . 1 . 1 7 7 GLU CA C 13 55.729 0.200 . 1 . . . . . 7 GLU CA . 26749 1 71 . 1 . 1 7 7 GLU CB C 13 28.437 0.200 . 1 . . . . . 7 GLU CB . 26749 1 72 . 1 . 1 7 7 GLU CG C 13 33.063 0.200 . 1 . . . . . 7 GLU CG . 26749 1 73 . 1 . 1 7 7 GLU H H 1 8.222 0.020 . 1 . . . . . 7 GLU H . 26749 1 74 . 1 . 1 7 7 GLU HA H 1 4.286 0.020 . 1 . . . . . 7 GLU HA . 26749 1 75 . 1 . 1 7 7 GLU HB2 H 1 2.070 0.020 . 2 . . . . . 7 GLU HB2 . 26749 1 76 . 1 . 1 7 7 GLU HB3 H 1 2.080 0.020 . 2 . . . . . 7 GLU HB3 . 26749 1 77 . 1 . 1 7 7 GLU HG2 H 1 2.490 0.020 . 1 . . . . . 7 GLU HG2 . 26749 1 78 . 1 . 1 7 7 GLU HG3 H 1 2.490 0.020 . 1 . . . . . 7 GLU HG3 . 26749 1 79 . 1 . 1 7 7 GLU N N 15 119.599 0.200 . 1 . . . . . 7 GLU N . 26749 1 80 . 1 . 1 8 8 LEU C C 13 177.759 0.200 . 1 . . . . . 8 LEU C . 26749 1 81 . 1 . 1 8 8 LEU CA C 13 55.992 0.200 . 1 . . . . . 8 LEU CA . 26749 1 82 . 1 . 1 8 8 LEU CB C 13 42.149 0.200 . 1 . . . . . 8 LEU CB . 26749 1 83 . 1 . 1 8 8 LEU CD1 C 13 23.436 0.200 . 2 . . . . . 8 LEU CD1 . 26749 1 84 . 1 . 1 8 8 LEU CD2 C 13 24.770 0.200 . 2 . . . . . 8 LEU CD2 . 26749 1 85 . 1 . 1 8 8 LEU CG C 13 26.927 0.200 . 1 . . . . . 8 LEU CG . 26749 1 86 . 1 . 1 8 8 LEU H H 1 8.357 0.020 . 1 . . . . . 8 LEU H . 26749 1 87 . 1 . 1 8 8 LEU HA H 1 4.249 0.020 . 1 . . . . . 8 LEU HA . 26749 1 88 . 1 . 1 8 8 LEU HB2 H 1 1.597 0.020 . 2 . . . . . 8 LEU HB2 . 26749 1 89 . 1 . 1 8 8 LEU HB3 H 1 1.683 0.020 . 2 . . . . . 8 LEU HB3 . 26749 1 90 . 1 . 1 8 8 LEU HD11 H 1 0.844 0.020 . 2 . . . . . 8 LEU HD11 . 26749 1 91 . 1 . 1 8 8 LEU HD12 H 1 0.844 0.020 . 2 . . . . . 8 LEU HD12 . 26749 1 92 . 1 . 1 8 8 LEU HD13 H 1 0.844 0.020 . 2 . . . . . 8 LEU HD13 . 26749 1 93 . 1 . 1 8 8 LEU HD21 H 1 0.907 0.020 . 2 . . . . . 8 LEU HD21 . 26749 1 94 . 1 . 1 8 8 LEU HD22 H 1 0.907 0.020 . 2 . . . . . 8 LEU HD22 . 26749 1 95 . 1 . 1 8 8 LEU HD23 H 1 0.907 0.020 . 2 . . . . . 8 LEU HD23 . 26749 1 96 . 1 . 1 8 8 LEU N N 15 122.940 0.200 . 1 . . . . . 8 LEU N . 26749 1 97 . 1 . 1 9 9 SER C C 13 175.154 0.200 . 1 . . . . . 9 SER C . 26749 1 98 . 1 . 1 9 9 SER CA C 13 59.308 0.200 . 1 . . . . . 9 SER CA . 26749 1 99 . 1 . 1 9 9 SER CB C 13 63.447 0.200 . 1 . . . . . 9 SER CB . 26749 1 100 . 1 . 1 9 9 SER H H 1 8.310 0.020 . 1 . . . . . 9 SER H . 26749 1 101 . 1 . 1 9 9 SER HA H 1 4.336 0.020 . 1 . . . . . 9 SER HA . 26749 1 102 . 1 . 1 9 9 SER HB2 H 1 3.885 0.020 . 2 . . . . . 9 SER HB2 . 26749 1 103 . 1 . 1 9 9 SER HB3 H 1 3.931 0.020 . 2 . . . . . 9 SER HB3 . 26749 1 104 . 1 . 1 9 9 SER N N 15 115.771 0.200 . 1 . . . . . 9 SER N . 26749 1 105 . 1 . 1 10 10 GLN C C 13 176.223 0.200 . 1 . . . . . 10 GLN C . 26749 1 106 . 1 . 1 10 10 GLN CA C 13 56.515 0.200 . 1 . . . . . 10 GLN CA . 26749 1 107 . 1 . 1 10 10 GLN CB C 13 29.272 0.200 . 1 . . . . . 10 GLN CB . 26749 1 108 . 1 . 1 10 10 GLN CG C 13 33.850 0.200 . 1 . . . . . 10 GLN CG . 26749 1 109 . 1 . 1 10 10 GLN H H 1 8.259 0.020 . 1 . . . . . 10 GLN H . 26749 1 110 . 1 . 1 10 10 GLN HA H 1 4.265 0.020 . 1 . . . . . 10 GLN HA . 26749 1 111 . 1 . 1 10 10 GLN HB2 H 1 2.012 0.020 . 2 . . . . . 10 GLN HB2 . 26749 1 112 . 1 . 1 10 10 GLN HB3 H 1 2.108 0.020 . 2 . . . . . 10 GLN HB3 . 26749 1 113 . 1 . 1 10 10 GLN HG2 H 1 2.373 0.020 . 1 . . . . . 10 GLN HG2 . 26749 1 114 . 1 . 1 10 10 GLN HG3 H 1 2.373 0.020 . 1 . . . . . 10 GLN HG3 . 26749 1 115 . 1 . 1 10 10 GLN N N 15 121.698 0.200 . 1 . . . . . 10 GLN N . 26749 1 116 . 1 . 1 11 11 LEU C C 13 177.514 0.200 . 1 . . . . . 11 LEU C . 26749 1 117 . 1 . 1 11 11 LEU CA C 13 55.843 0.200 . 1 . . . . . 11 LEU CA . 26749 1 118 . 1 . 1 11 11 LEU CB C 13 42.259 0.200 . 1 . . . . . 11 LEU CB . 26749 1 119 . 1 . 1 11 11 LEU CD1 C 13 23.542 0.200 . 2 . . . . . 11 LEU CD1 . 26749 1 120 . 1 . 1 11 11 LEU CD2 C 13 24.665 0.200 . 2 . . . . . 11 LEU CD2 . 26749 1 121 . 1 . 1 11 11 LEU CG C 13 26.914 0.200 . 1 . . . . . 11 LEU CG . 26749 1 122 . 1 . 1 11 11 LEU H H 1 8.114 0.020 . 1 . . . . . 11 LEU H . 26749 1 123 . 1 . 1 11 11 LEU HA H 1 4.267 0.020 . 1 . . . . . 11 LEU HA . 26749 1 124 . 1 . 1 11 11 LEU HB2 H 1 1.582 0.020 . 2 . . . . . 11 LEU HB2 . 26749 1 125 . 1 . 1 11 11 LEU HB3 H 1 1.633 0.020 . 2 . . . . . 11 LEU HB3 . 26749 1 126 . 1 . 1 11 11 LEU HD11 H 1 0.839 0.020 . 1 . . . . . 11 LEU HD11 . 26749 1 127 . 1 . 1 11 11 LEU HD12 H 1 0.839 0.020 . 1 . . . . . 11 LEU HD12 . 26749 1 128 . 1 . 1 11 11 LEU HD13 H 1 0.839 0.020 . 1 . . . . . 11 LEU HD13 . 26749 1 129 . 1 . 1 11 11 LEU HD21 H 1 0.839 0.020 . 1 . . . . . 11 LEU HD21 . 26749 1 130 . 1 . 1 11 11 LEU HD22 H 1 0.839 0.020 . 1 . . . . . 11 LEU HD22 . 26749 1 131 . 1 . 1 11 11 LEU HD23 H 1 0.839 0.020 . 1 . . . . . 11 LEU HD23 . 26749 1 132 . 1 . 1 11 11 LEU N N 15 122.202 0.200 . 1 . . . . . 11 LEU N . 26749 1 133 . 1 . 1 12 12 LEU C C 13 177.526 0.200 . 1 . . . . . 12 LEU C . 26749 1 134 . 1 . 1 12 12 LEU CA C 13 55.365 0.200 . 1 . . . . . 12 LEU CA . 26749 1 135 . 1 . 1 12 12 LEU CB C 13 42.122 0.200 . 1 . . . . . 12 LEU CB . 26749 1 136 . 1 . 1 12 12 LEU CD1 C 13 23.105 0.200 . 2 . . . . . 12 LEU CD1 . 26749 1 137 . 1 . 1 12 12 LEU CD2 C 13 24.707 0.200 . 2 . . . . . 12 LEU CD2 . 26749 1 138 . 1 . 1 12 12 LEU CG C 13 26.923 0.200 . 1 . . . . . 12 LEU CG . 26749 1 139 . 1 . 1 12 12 LEU H H 1 8.185 0.020 . 1 . . . . . 12 LEU H . 26749 1 140 . 1 . 1 12 12 LEU HA H 1 4.272 0.020 . 1 . . . . . 12 LEU HA . 26749 1 141 . 1 . 1 12 12 LEU HB2 H 1 1.532 0.020 . 2 . . . . . 12 LEU HB2 . 26749 1 142 . 1 . 1 12 12 LEU HB3 H 1 1.658 0.020 . 2 . . . . . 12 LEU HB3 . 26749 1 143 . 1 . 1 12 12 LEU HD11 H 1 0.853 0.020 . 2 . . . . . 12 LEU HD11 . 26749 1 144 . 1 . 1 12 12 LEU HD12 H 1 0.853 0.020 . 2 . . . . . 12 LEU HD12 . 26749 1 145 . 1 . 1 12 12 LEU HD13 H 1 0.853 0.020 . 2 . . . . . 12 LEU HD13 . 26749 1 146 . 1 . 1 12 12 LEU HD21 H 1 0.891 0.020 . 2 . . . . . 12 LEU HD21 . 26749 1 147 . 1 . 1 12 12 LEU HD22 H 1 0.891 0.020 . 2 . . . . . 12 LEU HD22 . 26749 1 148 . 1 . 1 12 12 LEU HD23 H 1 0.891 0.020 . 2 . . . . . 12 LEU HD23 . 26749 1 149 . 1 . 1 12 12 LEU N N 15 122.040 0.200 . 1 . . . . . 12 LEU N . 26749 1 150 . 1 . 1 13 13 LYS C C 13 176.612 0.200 . 1 . . . . . 13 LYS C . 26749 1 151 . 1 . 1 13 13 LYS CA C 13 56.830 0.200 . 1 . . . . . 13 LYS CA . 26749 1 152 . 1 . 1 13 13 LYS CB C 13 33.071 0.200 . 1 . . . . . 13 LYS CB . 26749 1 153 . 1 . 1 13 13 LYS CD C 13 29.228 0.200 . 1 . . . . . 13 LYS CD . 26749 1 154 . 1 . 1 13 13 LYS CG C 13 24.935 0.200 . 1 . . . . . 13 LYS CG . 26749 1 155 . 1 . 1 13 13 LYS H H 1 8.210 0.020 . 1 . . . . . 13 LYS H . 26749 1 156 . 1 . 1 13 13 LYS HA H 1 4.233 0.020 . 1 . . . . . 13 LYS HA . 26749 1 157 . 1 . 1 13 13 LYS HB2 H 1 1.742 0.020 . 2 . . . . . 13 LYS HB2 . 26749 1 158 . 1 . 1 13 13 LYS HB3 H 1 1.785 0.020 . 2 . . . . . 13 LYS HB3 . 26749 1 159 . 1 . 1 13 13 LYS N N 15 121.055 0.200 . 1 . . . . . 13 LYS N . 26749 1 160 . 1 . 1 14 14 ASP C C 13 175.363 0.200 . 1 . . . . . 14 ASP C . 26749 1 161 . 1 . 1 14 14 ASP CA C 13 53.183 0.200 . 1 . . . . . 14 ASP CA . 26749 1 162 . 1 . 1 14 14 ASP CB C 13 37.917 0.200 . 1 . . . . . 14 ASP CB . 26749 1 163 . 1 . 1 14 14 ASP H H 1 8.427 0.020 . 1 . . . . . 14 ASP H . 26749 1 164 . 1 . 1 14 14 ASP HA H 1 4.710 0.020 . 1 . . . . . 14 ASP HA . 26749 1 165 . 1 . 1 14 14 ASP HB2 H 1 2.868 0.020 . 2 . . . . . 14 ASP HB2 . 26749 1 166 . 1 . 1 14 14 ASP HB3 H 1 2.943 0.020 . 2 . . . . . 14 ASP HB3 . 26749 1 167 . 1 . 1 14 14 ASP N N 15 119.695 0.200 . 1 . . . . . 14 ASP N . 26749 1 168 . 1 . 1 15 15 ILE C C 13 176.079 0.200 . 1 . . . . . 15 ILE C . 26749 1 169 . 1 . 1 15 15 ILE CA C 13 61.720 0.200 . 1 . . . . . 15 ILE CA . 26749 1 170 . 1 . 1 15 15 ILE CB C 13 38.800 0.200 . 1 . . . . . 15 ILE CB . 26749 1 171 . 1 . 1 15 15 ILE CD1 C 13 13.132 0.200 . 1 . . . . . 15 ILE CD1 . 26749 1 172 . 1 . 1 15 15 ILE CG1 C 13 27.305 0.200 . 1 . . . . . 15 ILE CG1 . 26749 1 173 . 1 . 1 15 15 ILE CG2 C 13 17.451 0.200 . 1 . . . . . 15 ILE CG2 . 26749 1 174 . 1 . 1 15 15 ILE H H 1 8.141 0.020 . 1 . . . . . 15 ILE H . 26749 1 175 . 1 . 1 15 15 ILE HA H 1 4.155 0.020 . 1 . . . . . 15 ILE HA . 26749 1 176 . 1 . 1 15 15 ILE HB H 1 1.886 0.020 . 1 . . . . . 15 ILE HB . 26749 1 177 . 1 . 1 15 15 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 15 ILE HD11 . 26749 1 178 . 1 . 1 15 15 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 15 ILE HD12 . 26749 1 179 . 1 . 1 15 15 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 15 ILE HD13 . 26749 1 180 . 1 . 1 15 15 ILE HG12 H 1 1.162 0.020 . 2 . . . . . 15 ILE HG12 . 26749 1 181 . 1 . 1 15 15 ILE HG13 H 1 1.442 0.020 . 2 . . . . . 15 ILE HG13 . 26749 1 182 . 1 . 1 15 15 ILE HG21 H 1 0.881 0.020 . 1 . . . . . 15 ILE HG21 . 26749 1 183 . 1 . 1 15 15 ILE HG22 H 1 0.881 0.020 . 1 . . . . . 15 ILE HG22 . 26749 1 184 . 1 . 1 15 15 ILE HG23 H 1 0.881 0.020 . 1 . . . . . 15 ILE HG23 . 26749 1 185 . 1 . 1 15 15 ILE N N 15 120.634 0.200 . 1 . . . . . 15 ILE N . 26749 1 186 . 1 . 1 16 16 ASP C C 13 175.371 0.200 . 1 . . . . . 16 ASP C . 26749 1 187 . 1 . 1 16 16 ASP CA C 13 53.309 0.200 . 1 . . . . . 16 ASP CA . 26749 1 188 . 1 . 1 16 16 ASP CB C 13 38.089 0.200 . 1 . . . . . 16 ASP CB . 26749 1 189 . 1 . 1 16 16 ASP H H 1 8.505 0.020 . 1 . . . . . 16 ASP H . 26749 1 190 . 1 . 1 16 16 ASP HA H 1 4.716 0.020 . 1 . . . . . 16 ASP HA . 26749 1 191 . 1 . 1 16 16 ASP HB2 H 1 2.847 0.020 . 2 . . . . . 16 ASP HB2 . 26749 1 192 . 1 . 1 16 16 ASP HB3 H 1 2.958 0.020 . 2 . . . . . 16 ASP HB3 . 26749 1 193 . 1 . 1 16 16 ASP N N 15 121.444 0.200 . 1 . . . . . 16 ASP N . 26749 1 194 . 1 . 1 17 17 GLY C C 13 173.742 0.200 . 1 . . . . . 17 GLY C . 26749 1 195 . 1 . 1 17 17 GLY CA C 13 45.330 0.200 . 1 . . . . . 17 GLY CA . 26749 1 196 . 1 . 1 17 17 GLY H H 1 8.213 0.020 . 1 . . . . . 17 GLY H . 26749 1 197 . 1 . 1 17 17 GLY HA2 H 1 3.893 0.020 . 2 . . . . . 17 GLY HA2 . 26749 1 198 . 1 . 1 17 17 GLY HA3 H 1 3.934 0.020 . 2 . . . . . 17 GLY HA3 . 26749 1 199 . 1 . 1 17 17 GLY N N 15 108.895 0.200 . 1 . . . . . 17 GLY N . 26749 1 200 . 1 . 1 18 18 TYR C C 13 176.405 0.200 . 1 . . . . . 18 TYR C . 26749 1 201 . 1 . 1 18 18 TYR CA C 13 58.300 0.200 . 1 . . . . . 18 TYR CA . 26749 1 202 . 1 . 1 18 18 TYR CB C 13 38.802 0.200 . 1 . . . . . 18 TYR CB . 26749 1 203 . 1 . 1 18 18 TYR H H 1 8.140 0.020 . 1 . . . . . 18 TYR H . 26749 1 204 . 1 . 1 18 18 TYR HA H 1 4.555 0.020 . 1 . . . . . 18 TYR HA . 26749 1 205 . 1 . 1 18 18 TYR HB2 H 1 2.963 0.020 . 2 . . . . . 18 TYR HB2 . 26749 1 206 . 1 . 1 18 18 TYR HB3 H 1 3.073 0.020 . 2 . . . . . 18 TYR HB3 . 26749 1 207 . 1 . 1 18 18 TYR N N 15 120.185 0.200 . 1 . . . . . 18 TYR N . 26749 1 208 . 1 . 1 19 19 GLY C C 13 174.378 0.200 . 1 . . . . . 19 GLY C . 26749 1 209 . 1 . 1 19 19 GLY CA C 13 45.391 0.200 . 1 . . . . . 19 GLY CA . 26749 1 210 . 1 . 1 19 19 GLY H H 1 8.421 0.020 . 1 . . . . . 19 GLY H . 26749 1 211 . 1 . 1 19 19 GLY HA2 H 1 3.904 0.020 . 2 . . . . . 19 GLY HA2 . 26749 1 212 . 1 . 1 19 19 GLY HA3 H 1 3.917 0.020 . 2 . . . . . 19 GLY HA3 . 26749 1 213 . 1 . 1 19 19 GLY N N 15 111.050 0.200 . 1 . . . . . 19 GLY N . 26749 1 214 . 1 . 1 20 20 GLY C C 13 173.693 0.200 . 1 . . . . . 20 GLY C . 26749 1 215 . 1 . 1 20 20 GLY CA C 13 45.253 0.200 . 1 . . . . . 20 GLY CA . 26749 1 216 . 1 . 1 20 20 GLY H H 1 7.880 0.020 . 1 . . . . . 20 GLY H . 26749 1 217 . 1 . 1 20 20 GLY HA2 H 1 3.944 0.020 . 2 . . . . . 20 GLY HA2 . 26749 1 218 . 1 . 1 20 20 GLY HA3 H 1 3.927 0.020 . 2 . . . . . 20 GLY HA3 . 26749 1 219 . 1 . 1 20 20 GLY N N 15 108.249 0.200 . 1 . . . . . 20 GLY N . 26749 1 220 . 1 . 1 21 21 ILE C C 13 175.657 0.200 . 1 . . . . . 21 ILE C . 26749 1 221 . 1 . 1 21 21 ILE CA C 13 60.888 0.200 . 1 . . . . . 21 ILE CA . 26749 1 222 . 1 . 1 21 21 ILE CB C 13 39.035 0.200 . 1 . . . . . 21 ILE CB . 26749 1 223 . 1 . 1 21 21 ILE CD1 C 13 12.883 0.200 . 1 . . . . . 21 ILE CD1 . 26749 1 224 . 1 . 1 21 21 ILE CG1 C 13 27.170 0.200 . 1 . . . . . 21 ILE CG1 . 26749 1 225 . 1 . 1 21 21 ILE CG2 C 13 17.331 0.200 . 1 . . . . . 21 ILE CG2 . 26749 1 226 . 1 . 1 21 21 ILE H H 1 7.992 0.020 . 1 . . . . . 21 ILE H . 26749 1 227 . 1 . 1 21 21 ILE HA H 1 4.183 0.020 . 1 . . . . . 21 ILE HA . 26749 1 228 . 1 . 1 21 21 ILE HB H 1 1.825 0.020 . 1 . . . . . 21 ILE HB . 26749 1 229 . 1 . 1 21 21 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 21 ILE HD11 . 26749 1 230 . 1 . 1 21 21 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 21 ILE HD12 . 26749 1 231 . 1 . 1 21 21 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 21 ILE HD13 . 26749 1 232 . 1 . 1 21 21 ILE HG12 H 1 1.446 0.020 . 2 . . . . . 21 ILE HG12 . 26749 1 233 . 1 . 1 21 21 ILE HG13 H 1 1.157 0.020 . 2 . . . . . 21 ILE HG13 . 26749 1 234 . 1 . 1 21 21 ILE HG21 H 1 0.903 0.020 . 1 . . . . . 21 ILE HG21 . 26749 1 235 . 1 . 1 21 21 ILE HG22 H 1 0.903 0.020 . 1 . . . . . 21 ILE HG22 . 26749 1 236 . 1 . 1 21 21 ILE HG23 H 1 0.903 0.020 . 1 . . . . . 21 ILE HG23 . 26749 1 237 . 1 . 1 21 21 ILE N N 15 119.704 0.200 . 1 . . . . . 21 ILE N . 26749 1 238 . 1 . 1 22 22 ALA C C 13 177.191 0.200 . 1 . . . . . 22 ALA C . 26749 1 239 . 1 . 1 22 22 ALA CA C 13 52.069 0.200 . 1 . . . . . 22 ALA CA . 26749 1 240 . 1 . 1 22 22 ALA CB C 13 19.244 0.200 . 1 . . . . . 22 ALA CB . 26749 1 241 . 1 . 1 22 22 ALA H H 1 8.387 0.020 . 1 . . . . . 22 ALA H . 26749 1 242 . 1 . 1 22 22 ALA HA H 1 4.363 0.020 . 1 . . . . . 22 ALA HA . 26749 1 243 . 1 . 1 22 22 ALA HB1 H 1 1.356 0.020 . 1 . . . . . 22 ALA HB1 . 26749 1 244 . 1 . 1 22 22 ALA HB2 H 1 1.356 0.020 . 1 . . . . . 22 ALA HB2 . 26749 1 245 . 1 . 1 22 22 ALA HB3 H 1 1.356 0.020 . 1 . . . . . 22 ALA HB3 . 26749 1 246 . 1 . 1 22 22 ALA N N 15 128.365 0.200 . 1 . . . . . 22 ALA N . 26749 1 247 . 1 . 1 23 23 LEU C C 13 175.251 0.200 . 1 . . . . . 23 LEU C . 26749 1 248 . 1 . 1 23 23 LEU CA C 13 53.005 0.200 . 1 . . . . . 23 LEU CA . 26749 1 249 . 1 . 1 23 23 LEU CB C 13 41.565 0.200 . 1 . . . . . 23 LEU CB . 26749 1 250 . 1 . 1 23 23 LEU CD1 C 13 24.834 0.200 . 2 . . . . . 23 LEU CD1 . 26749 1 251 . 1 . 1 23 23 LEU CD2 C 13 23.077 0.200 . 2 . . . . . 23 LEU CD2 . 26749 1 252 . 1 . 1 23 23 LEU CG C 13 26.903 0.200 . 1 . . . . . 23 LEU CG . 26749 1 253 . 1 . 1 23 23 LEU H H 1 8.302 0.020 . 1 . . . . . 23 LEU H . 26749 1 254 . 1 . 1 23 23 LEU HA H 1 4.580 0.020 . 1 . . . . . 23 LEU HA . 26749 1 255 . 1 . 1 23 23 LEU HB2 H 1 1.626 0.020 . 2 . . . . . 23 LEU HB2 . 26749 1 256 . 1 . 1 23 23 LEU HB3 H 1 1.555 0.020 . 2 . . . . . 23 LEU HB3 . 26749 1 257 . 1 . 1 23 23 LEU HD11 H 1 0.941 0.020 . 2 . . . . . 23 LEU HD11 . 26749 1 258 . 1 . 1 23 23 LEU HD12 H 1 0.941 0.020 . 2 . . . . . 23 LEU HD12 . 26749 1 259 . 1 . 1 23 23 LEU HD13 H 1 0.941 0.020 . 2 . . . . . 23 LEU HD13 . 26749 1 260 . 1 . 1 23 23 LEU HD21 H 1 0.931 0.020 . 2 . . . . . 23 LEU HD21 . 26749 1 261 . 1 . 1 23 23 LEU HD22 H 1 0.931 0.020 . 2 . . . . . 23 LEU HD22 . 26749 1 262 . 1 . 1 23 23 LEU HD23 H 1 0.931 0.020 . 2 . . . . . 23 LEU HD23 . 26749 1 263 . 1 . 1 23 23 LEU HG H 1 1.684 0.020 . 1 . . . . . 23 LEU HG . 26749 1 264 . 1 . 1 23 23 LEU N N 15 123.379 0.200 . 1 . . . . . 23 LEU N . 26749 1 265 . 1 . 1 24 24 PRO C C 13 176.796 0.200 . 1 . . . . . 24 PRO C . 26749 1 266 . 1 . 1 24 24 PRO CA C 13 63.243 0.200 . 1 . . . . . 24 PRO CA . 26749 1 267 . 1 . 1 24 24 PRO CB C 13 31.907 0.200 . 1 . . . . . 24 PRO CB . 26749 1 268 . 1 . 1 24 24 PRO CD C 13 50.255 0.200 . 1 . . . . . 24 PRO CD . 26749 1 269 . 1 . 1 24 24 PRO CG C 13 27.511 0.200 . 1 . . . . . 24 PRO CG . 26749 1 270 . 1 . 1 24 24 PRO HA H 1 4.389 0.020 . 1 . . . . . 24 PRO HA . 26749 1 271 . 1 . 1 24 24 PRO HB2 H 1 1.850 0.020 . 2 . . . . . 24 PRO HB2 . 26749 1 272 . 1 . 1 24 24 PRO HB3 H 1 2.278 0.020 . 2 . . . . . 24 PRO HB3 . 26749 1 273 . 1 . 1 24 24 PRO HD2 H 1 3.834 0.020 . 2 . . . . . 24 PRO HD2 . 26749 1 274 . 1 . 1 24 24 PRO HD3 H 1 3.609 0.020 . 2 . . . . . 24 PRO HD3 . 26749 1 275 . 1 . 1 24 24 PRO HG2 H 1 2.007 0.020 . 1 . . . . . 24 PRO HG2 . 26749 1 276 . 1 . 1 24 24 PRO HG3 H 1 2.007 0.020 . 1 . . . . . 24 PRO HG3 . 26749 1 277 . 1 . 1 25 25 GLU C C 13 176.025 0.200 . 1 . . . . . 25 GLU C . 26749 1 278 . 1 . 1 25 25 GLU CA C 13 56.098 0.200 . 1 . . . . . 25 GLU CA . 26749 1 279 . 1 . 1 25 25 GLU CB C 13 28.756 0.200 . 1 . . . . . 25 GLU CB . 26749 1 280 . 1 . 1 25 25 GLU CG C 13 32.810 0.200 . 1 . . . . . 25 GLU CG . 26749 1 281 . 1 . 1 25 25 GLU H H 1 8.405 0.020 . 1 . . . . . 25 GLU H . 26749 1 282 . 1 . 1 25 25 GLU HA H 1 4.294 0.020 . 1 . . . . . 25 GLU HA . 26749 1 283 . 1 . 1 25 25 GLU HB2 H 1 1.987 0.020 . 2 . . . . . 25 GLU HB2 . 26749 1 284 . 1 . 1 25 25 GLU HB3 H 1 2.043 0.020 . 2 . . . . . 25 GLU HB3 . 26749 1 285 . 1 . 1 25 25 GLU HG2 H 1 2.471 0.020 . 1 . . . . . 25 GLU HG2 . 26749 1 286 . 1 . 1 25 25 GLU HG3 H 1 2.471 0.020 . 1 . . . . . 25 GLU HG3 . 26749 1 287 . 1 . 1 25 25 GLU N N 15 120.481 0.200 . 1 . . . . . 25 GLU N . 26749 1 288 . 1 . 1 26 26 LEU C C 13 177.093 0.200 . 1 . . . . . 26 LEU C . 26749 1 289 . 1 . 1 26 26 LEU CA C 13 55.152 0.200 . 1 . . . . . 26 LEU CA . 26749 1 290 . 1 . 1 26 26 LEU CB C 13 42.254 0.200 . 1 . . . . . 26 LEU CB . 26749 1 291 . 1 . 1 26 26 LEU CD1 C 13 23.734 0.200 . 2 . . . . . 26 LEU CD1 . 26749 1 292 . 1 . 1 26 26 LEU CD2 C 13 24.833 0.200 . 2 . . . . . 26 LEU CD2 . 26749 1 293 . 1 . 1 26 26 LEU CG C 13 26.989 0.200 . 1 . . . . . 26 LEU CG . 26749 1 294 . 1 . 1 26 26 LEU H H 1 8.362 0.020 . 1 . . . . . 26 LEU H . 26749 1 295 . 1 . 1 26 26 LEU HA H 1 4.346 0.020 . 1 . . . . . 26 LEU HA . 26749 1 296 . 1 . 1 26 26 LEU HB2 H 1 1.571 0.020 . 2 . . . . . 26 LEU HB2 . 26749 1 297 . 1 . 1 26 26 LEU HB3 H 1 1.590 0.020 . 2 . . . . . 26 LEU HB3 . 26749 1 298 . 1 . 1 26 26 LEU HD11 H 1 0.870 0.020 . 2 . . . . . 26 LEU HD11 . 26749 1 299 . 1 . 1 26 26 LEU HD12 H 1 0.870 0.020 . 2 . . . . . 26 LEU HD12 . 26749 1 300 . 1 . 1 26 26 LEU HD13 H 1 0.870 0.020 . 2 . . . . . 26 LEU HD13 . 26749 1 301 . 1 . 1 26 26 LEU HD21 H 1 0.890 0.020 . 2 . . . . . 26 LEU HD21 . 26749 1 302 . 1 . 1 26 26 LEU HD22 H 1 0.890 0.020 . 2 . . . . . 26 LEU HD22 . 26749 1 303 . 1 . 1 26 26 LEU HD23 H 1 0.890 0.020 . 2 . . . . . 26 LEU HD23 . 26749 1 304 . 1 . 1 26 26 LEU N N 15 124.117 0.200 . 1 . . . . . 26 LEU N . 26749 1 305 . 1 . 1 27 27 ILE C C 13 176.038 0.200 . 1 . . . . . 27 ILE C . 26749 1 306 . 1 . 1 27 27 ILE CA C 13 61.204 0.200 . 1 . . . . . 27 ILE CA . 26749 1 307 . 1 . 1 27 27 ILE CB C 13 38.558 0.200 . 1 . . . . . 27 ILE CB . 26749 1 308 . 1 . 1 27 27 ILE CD1 C 13 12.780 0.200 . 1 . . . . . 27 ILE CD1 . 26749 1 309 . 1 . 1 27 27 ILE CG1 C 13 27.414 0.200 . 1 . . . . . 27 ILE CG1 . 26749 1 310 . 1 . 1 27 27 ILE CG2 C 13 17.437 0.200 . 1 . . . . . 27 ILE CG2 . 26749 1 311 . 1 . 1 27 27 ILE H H 1 8.237 0.020 . 1 . . . . . 27 ILE H . 26749 1 312 . 1 . 1 27 27 ILE HA H 1 4.117 0.020 . 1 . . . . . 27 ILE HA . 26749 1 313 . 1 . 1 27 27 ILE HB H 1 1.833 0.020 . 1 . . . . . 27 ILE HB . 26749 1 314 . 1 . 1 27 27 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 27 ILE HD11 . 26749 1 315 . 1 . 1 27 27 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 27 ILE HD12 . 26749 1 316 . 1 . 1 27 27 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 27 ILE HD13 . 26749 1 317 . 1 . 1 27 27 ILE HG12 H 1 1.476 0.020 . 2 . . . . . 27 ILE HG12 . 26749 1 318 . 1 . 1 27 27 ILE HG13 H 1 1.173 0.020 . 2 . . . . . 27 ILE HG13 . 26749 1 319 . 1 . 1 27 27 ILE HG21 H 1 0.902 0.020 . 1 . . . . . 27 ILE HG21 . 26749 1 320 . 1 . 1 27 27 ILE HG22 H 1 0.902 0.020 . 1 . . . . . 27 ILE HG22 . 26749 1 321 . 1 . 1 27 27 ILE HG23 H 1 0.902 0.020 . 1 . . . . . 27 ILE HG23 . 26749 1 322 . 1 . 1 27 27 ILE N N 15 122.326 0.200 . 1 . . . . . 27 ILE N . 26749 1 323 . 1 . 1 28 28 ALA C C 13 177.813 0.200 . 1 . . . . . 28 ALA C . 26749 1 324 . 1 . 1 28 28 ALA CA C 13 52.849 0.200 . 1 . . . . . 28 ALA CA . 26749 1 325 . 1 . 1 28 28 ALA CB C 13 19.203 0.200 . 1 . . . . . 28 ALA CB . 26749 1 326 . 1 . 1 28 28 ALA H H 1 8.407 0.020 . 1 . . . . . 28 ALA H . 26749 1 327 . 1 . 1 28 28 ALA HA H 1 4.326 0.020 . 1 . . . . . 28 ALA HA . 26749 1 328 . 1 . 1 28 28 ALA HB1 H 1 1.385 0.020 . 1 . . . . . 28 ALA HB1 . 26749 1 329 . 1 . 1 28 28 ALA HB2 H 1 1.385 0.020 . 1 . . . . . 28 ALA HB2 . 26749 1 330 . 1 . 1 28 28 ALA HB3 H 1 1.385 0.020 . 1 . . . . . 28 ALA HB3 . 26749 1 331 . 1 . 1 28 28 ALA N N 15 127.811 0.200 . 1 . . . . . 28 ALA N . 26749 1 332 . 1 . 1 29 29 THR C C 13 174.579 0.200 . 1 . . . . . 29 THR C . 26749 1 333 . 1 . 1 29 29 THR CA C 13 62.088 0.200 . 1 . . . . . 29 THR CA . 26749 1 334 . 1 . 1 29 29 THR CB C 13 69.538 0.200 . 1 . . . . . 29 THR CB . 26749 1 335 . 1 . 1 29 29 THR CG2 C 13 21.477 0.200 . 1 . . . . . 29 THR CG2 . 26749 1 336 . 1 . 1 29 29 THR H H 1 8.062 0.020 . 1 . . . . . 29 THR H . 26749 1 337 . 1 . 1 29 29 THR HA H 1 4.348 0.020 . 1 . . . . . 29 THR HA . 26749 1 338 . 1 . 1 29 29 THR HB H 1 4.169 0.020 . 1 . . . . . 29 THR HB . 26749 1 339 . 1 . 1 29 29 THR HG21 H 1 1.157 0.020 . 1 . . . . . 29 THR HG21 . 26749 1 340 . 1 . 1 29 29 THR HG22 H 1 1.157 0.020 . 1 . . . . . 29 THR HG22 . 26749 1 341 . 1 . 1 29 29 THR HG23 H 1 1.157 0.020 . 1 . . . . . 29 THR HG23 . 26749 1 342 . 1 . 1 29 29 THR N N 15 113.013 0.200 . 1 . . . . . 29 THR N . 26749 1 343 . 1 . 1 30 30 MET C C 13 175.593 0.200 . 1 . . . . . 30 MET C . 26749 1 344 . 1 . 1 30 30 MET CA C 13 55.647 0.200 . 1 . . . . . 30 MET CA . 26749 1 345 . 1 . 1 30 30 MET CB C 13 33.061 0.200 . 1 . . . . . 30 MET CB . 26749 1 346 . 1 . 1 30 30 MET CG C 13 31.792 0.200 . 1 . . . . . 30 MET CG . 26749 1 347 . 1 . 1 30 30 MET H H 1 8.256 0.020 . 1 . . . . . 30 MET H . 26749 1 348 . 1 . 1 30 30 MET HA H 1 4.383 0.020 . 1 . . . . . 30 MET HA . 26749 1 349 . 1 . 1 30 30 MET HB2 H 1 1.886 0.020 . 2 . . . . . 30 MET HB2 . 26749 1 350 . 1 . 1 30 30 MET HB3 H 1 1.901 0.020 . 2 . . . . . 30 MET HB3 . 26749 1 351 . 1 . 1 30 30 MET HG2 H 1 2.349 0.020 . 2 . . . . . 30 MET HG2 . 26749 1 352 . 1 . 1 30 30 MET HG3 H 1 2.416 0.020 . 2 . . . . . 30 MET HG3 . 26749 1 353 . 1 . 1 30 30 MET N N 15 122.233 0.200 . 1 . . . . . 30 MET N . 26749 1 354 . 1 . 1 31 31 PHE C C 13 175.494 0.200 . 1 . . . . . 31 PHE C . 26749 1 355 . 1 . 1 31 31 PHE CA C 13 57.830 0.200 . 1 . . . . . 31 PHE CA . 26749 1 356 . 1 . 1 31 31 PHE CB C 13 39.666 0.200 . 1 . . . . . 31 PHE CB . 26749 1 357 . 1 . 1 31 31 PHE H H 1 8.237 0.020 . 1 . . . . . 31 PHE H . 26749 1 358 . 1 . 1 31 31 PHE HA H 1 4.596 0.020 . 1 . . . . . 31 PHE HA . 26749 1 359 . 1 . 1 31 31 PHE HB2 H 1 2.957 0.020 . 2 . . . . . 31 PHE HB2 . 26749 1 360 . 1 . 1 31 31 PHE HB3 H 1 3.068 0.020 . 2 . . . . . 31 PHE HB3 . 26749 1 361 . 1 . 1 31 31 PHE N N 15 121.155 0.200 . 1 . . . . . 31 PHE N . 26749 1 362 . 1 . 1 32 32 HIS C C 13 174.295 0.200 . 1 . . . . . 32 HIS C . 26749 1 363 . 1 . 1 32 32 HIS CA C 13 54.932 0.200 . 1 . . . . . 32 HIS CA . 26749 1 364 . 1 . 1 32 32 HIS CB C 13 29.246 0.200 . 1 . . . . . 32 HIS CB . 26749 1 365 . 1 . 1 32 32 HIS H H 1 8.545 0.020 . 1 . . . . . 32 HIS H . 26749 1 366 . 1 . 1 32 32 HIS HA H 1 4.771 0.020 . 1 . . . . . 32 HIS HA . 26749 1 367 . 1 . 1 32 32 HIS HB2 H 1 3.120 0.020 . 2 . . . . . 32 HIS HB2 . 26749 1 368 . 1 . 1 32 32 HIS HB3 H 1 3.236 0.020 . 2 . . . . . 32 HIS HB3 . 26749 1 369 . 1 . 1 32 32 HIS N N 15 120.624 0.200 . 1 . . . . . 32 HIS N . 26749 1 370 . 1 . 1 33 33 THR C C 13 174.493 0.200 . 1 . . . . . 33 THR C . 26749 1 371 . 1 . 1 33 33 THR CA C 13 61.618 0.200 . 1 . . . . . 33 THR CA . 26749 1 372 . 1 . 1 33 33 THR CB C 13 69.845 0.200 . 1 . . . . . 33 THR CB . 26749 1 373 . 1 . 1 33 33 THR CG2 C 13 21.629 0.200 . 1 . . . . . 33 THR CG2 . 26749 1 374 . 1 . 1 33 33 THR H H 1 8.345 0.020 . 1 . . . . . 33 THR H . 26749 1 375 . 1 . 1 33 33 THR HA H 1 4.403 0.020 . 1 . . . . . 33 THR HA . 26749 1 376 . 1 . 1 33 33 THR HB H 1 4.281 0.020 . 1 . . . . . 33 THR HB . 26749 1 377 . 1 . 1 33 33 THR HG21 H 1 1.221 0.020 . 1 . . . . . 33 THR HG21 . 26749 1 378 . 1 . 1 33 33 THR HG22 H 1 1.221 0.020 . 1 . . . . . 33 THR HG22 . 26749 1 379 . 1 . 1 33 33 THR HG23 H 1 1.221 0.020 . 1 . . . . . 33 THR HG23 . 26749 1 380 . 1 . 1 33 33 THR N N 15 115.505 0.200 . 1 . . . . . 33 THR N . 26749 1 381 . 1 . 1 34 34 SER C C 13 174.851 0.200 . 1 . . . . . 34 SER C . 26749 1 382 . 1 . 1 34 34 SER CA C 13 58.583 0.200 . 1 . . . . . 34 SER CA . 26749 1 383 . 1 . 1 34 34 SER CB C 13 63.954 0.200 . 1 . . . . . 34 SER CB . 26749 1 384 . 1 . 1 34 34 SER H H 1 8.494 0.020 . 1 . . . . . 34 SER H . 26749 1 385 . 1 . 1 34 34 SER HA H 1 4.489 0.020 . 1 . . . . . 34 SER HA . 26749 1 386 . 1 . 1 34 34 SER HB2 H 1 3.892 0.020 . 1 . . . . . 34 SER HB2 . 26749 1 387 . 1 . 1 34 34 SER HB3 H 1 3.892 0.020 . 1 . . . . . 34 SER HB3 . 26749 1 388 . 1 . 1 34 34 SER N N 15 117.770 0.200 . 1 . . . . . 34 SER N . 26749 1 389 . 1 . 1 35 35 GLY C C 13 173.635 0.200 . 1 . . . . . 35 GLY C . 26749 1 390 . 1 . 1 35 35 GLY CA C 13 45.084 0.200 . 1 . . . . . 35 GLY CA . 26749 1 391 . 1 . 1 35 35 GLY H H 1 8.421 0.020 . 1 . . . . . 35 GLY H . 26749 1 392 . 1 . 1 35 35 GLY HA2 H 1 3.901 0.020 . 2 . . . . . 35 GLY HA2 . 26749 1 393 . 1 . 1 35 35 GLY HA3 H 1 3.949 0.020 . 2 . . . . . 35 GLY HA3 . 26749 1 394 . 1 . 1 35 35 GLY N N 15 110.572 0.200 . 1 . . . . . 35 GLY N . 26749 1 395 . 1 . 1 36 36 TYR C C 13 175.544 0.200 . 1 . . . . . 36 TYR C . 26749 1 396 . 1 . 1 36 36 TYR CA C 13 58.002 0.200 . 1 . . . . . 36 TYR CA . 26749 1 397 . 1 . 1 36 36 TYR CB C 13 39.405 0.200 . 1 . . . . . 36 TYR CB . 26749 1 398 . 1 . 1 36 36 TYR H H 1 8.133 0.020 . 1 . . . . . 36 TYR H . 26749 1 399 . 1 . 1 36 36 TYR HA H 1 4.528 0.020 . 1 . . . . . 36 TYR HA . 26749 1 400 . 1 . 1 36 36 TYR HB2 H 1 2.925 0.020 . 2 . . . . . 36 TYR HB2 . 26749 1 401 . 1 . 1 36 36 TYR HB3 H 1 3.004 0.020 . 2 . . . . . 36 TYR HB3 . 26749 1 402 . 1 . 1 36 36 TYR N N 15 120.209 0.200 . 1 . . . . . 36 TYR N . 26749 1 403 . 1 . 1 37 37 ASP C C 13 175.195 0.200 . 1 . . . . . 37 ASP C . 26749 1 404 . 1 . 1 37 37 ASP CA C 13 52.872 0.200 . 1 . . . . . 37 ASP CA . 26749 1 405 . 1 . 1 37 37 ASP CB C 13 37.949 0.200 . 1 . . . . . 37 ASP CB . 26749 1 406 . 1 . 1 37 37 ASP H H 1 8.548 0.020 . 1 . . . . . 37 ASP H . 26749 1 407 . 1 . 1 37 37 ASP HA H 1 4.736 0.020 . 1 . . . . . 37 ASP HA . 26749 1 408 . 1 . 1 37 37 ASP HB2 H 1 2.755 0.020 . 2 . . . . . 37 ASP HB2 . 26749 1 409 . 1 . 1 37 37 ASP HB3 H 1 2.949 0.020 . 2 . . . . . 37 ASP HB3 . 26749 1 410 . 1 . 1 37 37 ASP N N 15 121.066 0.200 . 1 . . . . . 37 ASP N . 26749 1 411 . 1 . 1 38 38 THR C C 13 175.501 0.200 . 1 . . . . . 38 THR C . 26749 1 412 . 1 . 1 38 38 THR CA C 13 62.104 0.200 . 1 . . . . . 38 THR CA . 26749 1 413 . 1 . 1 38 38 THR CB C 13 69.485 0.200 . 1 . . . . . 38 THR CB . 26749 1 414 . 1 . 1 38 38 THR CG2 C 13 21.609 0.200 . 1 . . . . . 38 THR CG2 . 26749 1 415 . 1 . 1 38 38 THR H H 1 8.144 0.020 . 1 . . . . . 38 THR H . 26749 1 416 . 1 . 1 38 38 THR HA H 1 4.290 0.020 . 1 . . . . . 38 THR HA . 26749 1 417 . 1 . 1 38 38 THR HB H 1 4.240 0.020 . 1 . . . . . 38 THR HB . 26749 1 418 . 1 . 1 38 38 THR HG21 H 1 1.197 0.020 . 1 . . . . . 38 THR HG21 . 26749 1 419 . 1 . 1 38 38 THR HG22 H 1 1.197 0.020 . 1 . . . . . 38 THR HG22 . 26749 1 420 . 1 . 1 38 38 THR HG23 H 1 1.197 0.020 . 1 . . . . . 38 THR HG23 . 26749 1 421 . 1 . 1 38 38 THR N N 15 114.572 0.200 . 1 . . . . . 38 THR N . 26749 1 422 . 1 . 1 39 39 GLN C C 13 175.522 0.200 . 1 . . . . . 39 GLN C . 26749 1 423 . 1 . 1 39 39 GLN CA C 13 55.933 0.200 . 1 . . . . . 39 GLN CA . 26749 1 424 . 1 . 1 39 39 GLN CB C 13 29.418 0.200 . 1 . . . . . 39 GLN CB . 26749 1 425 . 1 . 1 39 39 GLN CG C 13 33.825 0.200 . 1 . . . . . 39 GLN CG . 26749 1 426 . 1 . 1 39 39 GLN H H 1 8.315 0.020 . 1 . . . . . 39 GLN H . 26749 1 427 . 1 . 1 39 39 GLN HA H 1 4.304 0.020 . 1 . . . . . 39 GLN HA . 26749 1 428 . 1 . 1 39 39 GLN HB2 H 1 1.977 0.020 . 2 . . . . . 39 GLN HB2 . 26749 1 429 . 1 . 1 39 39 GLN HB3 H 1 2.085 0.020 . 2 . . . . . 39 GLN HB3 . 26749 1 430 . 1 . 1 39 39 GLN HG2 H 1 2.357 0.020 . 1 . . . . . 39 GLN HG2 . 26749 1 431 . 1 . 1 39 39 GLN HG3 H 1 2.357 0.020 . 1 . . . . . 39 GLN HG3 . 26749 1 432 . 1 . 1 39 39 GLN N N 15 122.042 0.200 . 1 . . . . . 39 GLN N . 26749 1 433 . 1 . 1 40 40 ALA C C 13 177.433 0.200 . 1 . . . . . 40 ALA C . 26749 1 434 . 1 . 1 40 40 ALA CA C 13 52.491 0.200 . 1 . . . . . 40 ALA CA . 26749 1 435 . 1 . 1 40 40 ALA CB C 13 19.137 0.200 . 1 . . . . . 40 ALA CB . 26749 1 436 . 1 . 1 40 40 ALA H H 1 8.235 0.020 . 1 . . . . . 40 ALA H . 26749 1 437 . 1 . 1 40 40 ALA HA H 1 4.285 0.020 . 1 . . . . . 40 ALA HA . 26749 1 438 . 1 . 1 40 40 ALA HB1 H 1 1.334 0.020 . 1 . . . . . 40 ALA HB1 . 26749 1 439 . 1 . 1 40 40 ALA HB2 H 1 1.334 0.020 . 1 . . . . . 40 ALA HB2 . 26749 1 440 . 1 . 1 40 40 ALA HB3 H 1 1.334 0.020 . 1 . . . . . 40 ALA HB3 . 26749 1 441 . 1 . 1 40 40 ALA N N 15 125.180 0.200 . 1 . . . . . 40 ALA N . 26749 1 442 . 1 . 1 41 41 ILE C C 13 176.156 0.200 . 1 . . . . . 41 ILE C . 26749 1 443 . 1 . 1 41 41 ILE CA C 13 61.171 0.200 . 1 . . . . . 41 ILE CA . 26749 1 444 . 1 . 1 41 41 ILE CB C 13 38.676 0.200 . 1 . . . . . 41 ILE CB . 26749 1 445 . 1 . 1 41 41 ILE CD1 C 13 12.776 0.200 . 1 . . . . . 41 ILE CD1 . 26749 1 446 . 1 . 1 41 41 ILE CG1 C 13 27.411 0.200 . 1 . . . . . 41 ILE CG1 . 26749 1 447 . 1 . 1 41 41 ILE CG2 C 13 17.355 0.200 . 1 . . . . . 41 ILE CG2 . 26749 1 448 . 1 . 1 41 41 ILE H H 1 8.148 0.020 . 1 . . . . . 41 ILE H . 26749 1 449 . 1 . 1 41 41 ILE HA H 1 4.123 0.020 . 1 . . . . . 41 ILE HA . 26749 1 450 . 1 . 1 41 41 ILE HB H 1 1.810 0.020 . 1 . . . . . 41 ILE HB . 26749 1 451 . 1 . 1 41 41 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 41 ILE HD11 . 26749 1 452 . 1 . 1 41 41 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 41 ILE HD12 . 26749 1 453 . 1 . 1 41 41 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 41 ILE HD13 . 26749 1 454 . 1 . 1 41 41 ILE HG12 H 1 1.478 0.020 . 2 . . . . . 41 ILE HG12 . 26749 1 455 . 1 . 1 41 41 ILE HG13 H 1 1.155 0.020 . 2 . . . . . 41 ILE HG13 . 26749 1 456 . 1 . 1 41 41 ILE HG21 H 1 0.858 0.020 . 1 . . . . . 41 ILE HG21 . 26749 1 457 . 1 . 1 41 41 ILE HG22 H 1 0.858 0.020 . 1 . . . . . 41 ILE HG22 . 26749 1 458 . 1 . 1 41 41 ILE HG23 H 1 0.858 0.020 . 1 . . . . . 41 ILE HG23 . 26749 1 459 . 1 . 1 41 41 ILE N N 15 120.741 0.200 . 1 . . . . . 41 ILE N . 26749 1 460 . 1 . 1 42 42 VAL C C 13 175.970 0.200 . 1 . . . . . 42 VAL C . 26749 1 461 . 1 . 1 42 42 VAL CA C 13 62.251 0.200 . 1 . . . . . 42 VAL CA . 26749 1 462 . 1 . 1 42 42 VAL CB C 13 32.701 0.200 . 1 . . . . . 42 VAL CB . 26749 1 463 . 1 . 1 42 42 VAL CG1 C 13 20.825 0.200 . 2 . . . . . 42 VAL CG1 . 26749 1 464 . 1 . 1 42 42 VAL CG2 C 13 20.456 0.200 . 2 . . . . . 42 VAL CG2 . 26749 1 465 . 1 . 1 42 42 VAL H H 1 8.291 0.020 . 1 . . . . . 42 VAL H . 26749 1 466 . 1 . 1 42 42 VAL HA H 1 4.108 0.020 . 1 . . . . . 42 VAL HA . 26749 1 467 . 1 . 1 42 42 VAL HB H 1 2.018 0.020 . 1 . . . . . 42 VAL HB . 26749 1 468 . 1 . 1 42 42 VAL HG11 H 1 0.917 0.020 . 2 . . . . . 42 VAL HG11 . 26749 1 469 . 1 . 1 42 42 VAL HG12 H 1 0.917 0.020 . 2 . . . . . 42 VAL HG12 . 26749 1 470 . 1 . 1 42 42 VAL HG13 H 1 0.917 0.020 . 2 . . . . . 42 VAL HG13 . 26749 1 471 . 1 . 1 42 42 VAL HG21 H 1 0.939 0.020 . 2 . . . . . 42 VAL HG21 . 26749 1 472 . 1 . 1 42 42 VAL HG22 H 1 0.939 0.020 . 2 . . . . . 42 VAL HG22 . 26749 1 473 . 1 . 1 42 42 VAL HG23 H 1 0.939 0.020 . 2 . . . . . 42 VAL HG23 . 26749 1 474 . 1 . 1 42 42 VAL N N 15 125.171 0.200 . 1 . . . . . 42 VAL N . 26749 1 475 . 1 . 1 43 43 GLU C C 13 175.531 0.200 . 1 . . . . . 43 GLU C . 26749 1 476 . 1 . 1 43 43 GLU CA C 13 55.517 0.200 . 1 . . . . . 43 GLU CA . 26749 1 477 . 1 . 1 43 43 GLU CB C 13 28.904 0.200 . 1 . . . . . 43 GLU CB . 26749 1 478 . 1 . 1 43 43 GLU CG C 13 32.499 0.200 . 1 . . . . . 43 GLU CG . 26749 1 479 . 1 . 1 43 43 GLU H H 1 8.474 0.020 . 1 . . . . . 43 GLU H . 26749 1 480 . 1 . 1 43 43 GLU HA H 1 4.402 0.020 . 1 . . . . . 43 GLU HA . 26749 1 481 . 1 . 1 43 43 GLU HB2 H 1 1.938 0.020 . 2 . . . . . 43 GLU HB2 . 26749 1 482 . 1 . 1 43 43 GLU HB3 H 1 2.070 0.020 . 2 . . . . . 43 GLU HB3 . 26749 1 483 . 1 . 1 43 43 GLU HG2 H 1 2.437 0.020 . 1 . . . . . 43 GLU HG2 . 26749 1 484 . 1 . 1 43 43 GLU HG3 H 1 2.437 0.020 . 1 . . . . . 43 GLU HG3 . 26749 1 485 . 1 . 1 43 43 GLU N N 15 124.520 0.200 . 1 . . . . . 43 GLU N . 26749 1 486 . 1 . 1 44 44 ASN C C 13 174.919 0.200 . 1 . . . . . 44 ASN C . 26749 1 487 . 1 . 1 44 44 ASN CA C 13 53.428 0.200 . 1 . . . . . 44 ASN CA . 26749 1 488 . 1 . 1 44 44 ASN CB C 13 38.898 0.200 . 1 . . . . . 44 ASN CB . 26749 1 489 . 1 . 1 44 44 ASN H H 1 8.548 0.020 . 1 . . . . . 44 ASN H . 26749 1 490 . 1 . 1 44 44 ASN HA H 1 4.709 0.020 . 1 . . . . . 44 ASN HA . 26749 1 491 . 1 . 1 44 44 ASN HB2 H 1 2.759 0.020 . 2 . . . . . 44 ASN HB2 . 26749 1 492 . 1 . 1 44 44 ASN HB3 H 1 2.824 0.020 . 2 . . . . . 44 ASN HB3 . 26749 1 493 . 1 . 1 44 44 ASN N N 15 120.361 0.200 . 1 . . . . . 44 ASN N . 26749 1 494 . 1 . 1 45 45 ASN C C 13 175.288 0.200 . 1 . . . . . 45 ASN C . 26749 1 495 . 1 . 1 45 45 ASN CA C 13 53.456 0.200 . 1 . . . . . 45 ASN CA . 26749 1 496 . 1 . 1 45 45 ASN CB C 13 38.709 0.200 . 1 . . . . . 45 ASN CB . 26749 1 497 . 1 . 1 45 45 ASN H H 1 8.532 0.020 . 1 . . . . . 45 ASN H . 26749 1 498 . 1 . 1 45 45 ASN HA H 1 4.700 0.020 . 1 . . . . . 45 ASN HA . 26749 1 499 . 1 . 1 45 45 ASN HB2 H 1 2.782 0.020 . 2 . . . . . 45 ASN HB2 . 26749 1 500 . 1 . 1 45 45 ASN HB3 H 1 2.841 0.020 . 2 . . . . . 45 ASN HB3 . 26749 1 501 . 1 . 1 45 45 ASN N N 15 119.518 0.200 . 1 . . . . . 45 ASN N . 26749 1 502 . 1 . 1 46 46 GLU C C 13 176.205 0.200 . 1 . . . . . 46 GLU C . 26749 1 503 . 1 . 1 46 46 GLU CA C 13 56.222 0.200 . 1 . . . . . 46 GLU CA . 26749 1 504 . 1 . 1 46 46 GLU CB C 13 28.677 0.200 . 1 . . . . . 46 GLU CB . 26749 1 505 . 1 . 1 46 46 GLU CG C 13 32.761 0.200 . 1 . . . . . 46 GLU CG . 26749 1 506 . 1 . 1 46 46 GLU H H 1 8.381 0.020 . 1 . . . . . 46 GLU H . 26749 1 507 . 1 . 1 46 46 GLU HA H 1 4.379 0.020 . 1 . . . . . 46 GLU HA . 26749 1 508 . 1 . 1 46 46 GLU HB2 H 1 1.999 0.020 . 2 . . . . . 46 GLU HB2 . 26749 1 509 . 1 . 1 46 46 GLU HB3 H 1 2.155 0.020 . 2 . . . . . 46 GLU HB3 . 26749 1 510 . 1 . 1 46 46 GLU HG2 H 1 2.467 0.020 . 1 . . . . . 46 GLU HG2 . 26749 1 511 . 1 . 1 46 46 GLU HG3 H 1 2.467 0.020 . 1 . . . . . 46 GLU HG3 . 26749 1 512 . 1 . 1 46 46 GLU N N 15 120.226 0.200 . 1 . . . . . 46 GLU N . 26749 1 513 . 1 . 1 47 47 SER C C 13 175.038 0.200 . 1 . . . . . 47 SER C . 26749 1 514 . 1 . 1 47 47 SER CA C 13 58.829 0.200 . 1 . . . . . 47 SER CA . 26749 1 515 . 1 . 1 47 47 SER CB C 13 63.730 0.200 . 1 . . . . . 47 SER CB . 26749 1 516 . 1 . 1 47 47 SER H H 1 8.378 0.020 . 1 . . . . . 47 SER H . 26749 1 517 . 1 . 1 47 47 SER HA H 1 4.492 0.020 . 1 . . . . . 47 SER HA . 26749 1 518 . 1 . 1 47 47 SER HB2 H 1 3.872 0.020 . 2 . . . . . 47 SER HB2 . 26749 1 519 . 1 . 1 47 47 SER HB3 H 1 3.918 0.020 . 2 . . . . . 47 SER HB3 . 26749 1 520 . 1 . 1 47 47 SER N N 15 116.426 0.200 . 1 . . . . . 47 SER N . 26749 1 521 . 1 . 1 48 48 THR C C 13 174.502 0.200 . 1 . . . . . 48 THR C . 26749 1 522 . 1 . 1 48 48 THR CA C 13 61.955 0.200 . 1 . . . . . 48 THR CA . 26749 1 523 . 1 . 1 48 48 THR CB C 13 69.473 0.200 . 1 . . . . . 48 THR CB . 26749 1 524 . 1 . 1 48 48 THR CG2 C 13 21.476 0.200 . 1 . . . . . 48 THR CG2 . 26749 1 525 . 1 . 1 48 48 THR H H 1 8.206 0.020 . 1 . . . . . 48 THR H . 26749 1 526 . 1 . 1 48 48 THR HA H 1 4.305 0.020 . 1 . . . . . 48 THR HA . 26749 1 527 . 1 . 1 48 48 THR HB H 1 4.162 0.020 . 1 . . . . . 48 THR HB . 26749 1 528 . 1 . 1 48 48 THR HG21 H 1 1.154 0.020 . 1 . . . . . 48 THR HG21 . 26749 1 529 . 1 . 1 48 48 THR HG22 H 1 1.154 0.020 . 1 . . . . . 48 THR HG22 . 26749 1 530 . 1 . 1 48 48 THR HG23 H 1 1.154 0.020 . 1 . . . . . 48 THR HG23 . 26749 1 531 . 1 . 1 48 48 THR N N 15 115.503 0.200 . 1 . . . . . 48 THR N . 26749 1 532 . 1 . 1 49 49 GLU C C 13 175.588 0.200 . 1 . . . . . 49 GLU C . 26749 1 533 . 1 . 1 49 49 GLU CA C 13 56.082 0.200 . 1 . . . . . 49 GLU CA . 26749 1 534 . 1 . 1 49 49 GLU CB C 13 28.694 0.200 . 1 . . . . . 49 GLU CB . 26749 1 535 . 1 . 1 49 49 GLU CG C 13 32.551 0.200 . 1 . . . . . 49 GLU CG . 26749 1 536 . 1 . 1 49 49 GLU H H 1 8.260 0.020 . 1 . . . . . 49 GLU H . 26749 1 537 . 1 . 1 49 49 GLU HA H 1 4.285 0.020 . 1 . . . . . 49 GLU HA . 26749 1 538 . 1 . 1 49 49 GLU HB2 H 1 1.900 0.020 . 2 . . . . . 49 GLU HB2 . 26749 1 539 . 1 . 1 49 49 GLU HB3 H 1 1.930 0.020 . 2 . . . . . 49 GLU HB3 . 26749 1 540 . 1 . 1 49 49 GLU HG2 H 1 2.241 0.020 . 2 . . . . . 49 GLU HG2 . 26749 1 541 . 1 . 1 49 49 GLU HG3 H 1 2.320 0.020 . 2 . . . . . 49 GLU HG3 . 26749 1 542 . 1 . 1 49 49 GLU N N 15 122.173 0.200 . 1 . . . . . 49 GLU N . 26749 1 543 . 1 . 1 50 50 TYR C C 13 176.290 0.200 . 1 . . . . . 50 TYR C . 26749 1 544 . 1 . 1 50 50 TYR CA C 13 58.161 0.200 . 1 . . . . . 50 TYR CA . 26749 1 545 . 1 . 1 50 50 TYR CB C 13 38.883 0.200 . 1 . . . . . 50 TYR CB . 26749 1 546 . 1 . 1 50 50 TYR H H 1 8.191 0.020 . 1 . . . . . 50 TYR H . 26749 1 547 . 1 . 1 50 50 TYR HA H 1 4.554 0.020 . 1 . . . . . 50 TYR HA . 26749 1 548 . 1 . 1 50 50 TYR HB2 H 1 2.905 0.020 . 2 . . . . . 50 TYR HB2 . 26749 1 549 . 1 . 1 50 50 TYR HB3 H 1 3.091 0.020 . 2 . . . . . 50 TYR HB3 . 26749 1 550 . 1 . 1 50 50 TYR N N 15 120.632 0.200 . 1 . . . . . 50 TYR N . 26749 1 551 . 1 . 1 51 51 GLY C C 13 173.786 0.200 . 1 . . . . . 51 GLY C . 26749 1 552 . 1 . 1 51 51 GLY CA C 13 45.413 0.200 . 1 . . . . . 51 GLY CA . 26749 1 553 . 1 . 1 51 51 GLY H H 1 8.263 0.020 . 1 . . . . . 51 GLY H . 26749 1 554 . 1 . 1 51 51 GLY HA2 H 1 3.833 0.020 . 2 . . . . . 51 GLY HA2 . 26749 1 555 . 1 . 1 51 51 GLY HA3 H 1 3.892 0.020 . 2 . . . . . 51 GLY HA3 . 26749 1 556 . 1 . 1 51 51 GLY N N 15 110.057 0.200 . 1 . . . . . 51 GLY N . 26749 1 557 . 1 . 1 52 52 LEU C C 13 177.032 0.200 . 1 . . . . . 52 LEU C . 26749 1 558 . 1 . 1 52 52 LEU CA C 13 55.263 0.200 . 1 . . . . . 52 LEU CA . 26749 1 559 . 1 . 1 52 52 LEU CB C 13 42.400 0.200 . 1 . . . . . 52 LEU CB . 26749 1 560 . 1 . 1 52 52 LEU CD1 C 13 23.514 0.200 . 2 . . . . . 52 LEU CD1 . 26749 1 561 . 1 . 1 52 52 LEU CD2 C 13 24.807 0.200 . 2 . . . . . 52 LEU CD2 . 26749 1 562 . 1 . 1 52 52 LEU CG C 13 26.870 0.200 . 1 . . . . . 52 LEU CG . 26749 1 563 . 1 . 1 52 52 LEU H H 1 7.992 0.020 . 1 . . . . . 52 LEU H . 26749 1 564 . 1 . 1 52 52 LEU HA H 1 4.263 0.020 . 1 . . . . . 52 LEU HA . 26749 1 565 . 1 . 1 52 52 LEU HB2 H 1 1.406 0.020 . 2 . . . . . 52 LEU HB2 . 26749 1 566 . 1 . 1 52 52 LEU HB3 H 1 1.478 0.020 . 2 . . . . . 52 LEU HB3 . 26749 1 567 . 1 . 1 52 52 LEU HD11 H 1 0.814 0.020 . 2 . . . . . 52 LEU HD11 . 26749 1 568 . 1 . 1 52 52 LEU HD12 H 1 0.814 0.020 . 2 . . . . . 52 LEU HD12 . 26749 1 569 . 1 . 1 52 52 LEU HD13 H 1 0.814 0.020 . 2 . . . . . 52 LEU HD13 . 26749 1 570 . 1 . 1 52 52 LEU HD21 H 1 0.858 0.020 . 2 . . . . . 52 LEU HD21 . 26749 1 571 . 1 . 1 52 52 LEU HD22 H 1 0.858 0.020 . 2 . . . . . 52 LEU HD22 . 26749 1 572 . 1 . 1 52 52 LEU HD23 H 1 0.858 0.020 . 2 . . . . . 52 LEU HD23 . 26749 1 573 . 1 . 1 52 52 LEU N N 15 121.465 0.200 . 1 . . . . . 52 LEU N . 26749 1 574 . 1 . 1 53 53 PHE C C 13 175.482 0.200 . 1 . . . . . 53 PHE C . 26749 1 575 . 1 . 1 53 53 PHE CA C 13 57.595 0.200 . 1 . . . . . 53 PHE CA . 26749 1 576 . 1 . 1 53 53 PHE CB C 13 39.495 0.200 . 1 . . . . . 53 PHE CB . 26749 1 577 . 1 . 1 53 53 PHE H H 1 8.275 0.020 . 1 . . . . . 53 PHE H . 26749 1 578 . 1 . 1 53 53 PHE HA H 1 4.604 0.020 . 1 . . . . . 53 PHE HA . 26749 1 579 . 1 . 1 53 53 PHE HB2 H 1 2.991 0.020 . 2 . . . . . 53 PHE HB2 . 26749 1 580 . 1 . 1 53 53 PHE HB3 H 1 3.116 0.020 . 2 . . . . . 53 PHE HB3 . 26749 1 581 . 1 . 1 53 53 PHE N N 15 120.500 0.200 . 1 . . . . . 53 PHE N . 26749 1 582 . 1 . 1 54 54 GLN C C 13 175.586 0.200 . 1 . . . . . 54 GLN C . 26749 1 583 . 1 . 1 54 54 GLN CA C 13 55.678 0.200 . 1 . . . . . 54 GLN CA . 26749 1 584 . 1 . 1 54 54 GLN CB C 13 29.641 0.200 . 1 . . . . . 54 GLN CB . 26749 1 585 . 1 . 1 54 54 GLN CG C 13 33.718 0.200 . 1 . . . . . 54 GLN CG . 26749 1 586 . 1 . 1 54 54 GLN H H 1 8.308 0.020 . 1 . . . . . 54 GLN H . 26749 1 587 . 1 . 1 54 54 GLN HA H 1 4.321 0.020 . 1 . . . . . 54 GLN HA . 26749 1 588 . 1 . 1 54 54 GLN HB2 H 1 1.895 0.020 . 2 . . . . . 54 GLN HB2 . 26749 1 589 . 1 . 1 54 54 GLN HB3 H 1 2.010 0.020 . 2 . . . . . 54 GLN HB3 . 26749 1 590 . 1 . 1 54 54 GLN HG2 H 1 2.252 0.020 . 1 . . . . . 54 GLN HG2 . 26749 1 591 . 1 . 1 54 54 GLN HG3 H 1 2.252 0.020 . 1 . . . . . 54 GLN HG3 . 26749 1 592 . 1 . 1 54 54 GLN N N 15 122.162 0.200 . 1 . . . . . 54 GLN N . 26749 1 593 . 1 . 1 55 55 ILE C C 13 176.150 0.200 . 1 . . . . . 55 ILE C . 26749 1 594 . 1 . 1 55 55 ILE CA C 13 61.294 0.200 . 1 . . . . . 55 ILE CA . 26749 1 595 . 1 . 1 55 55 ILE CB C 13 37.922 0.200 . 1 . . . . . 55 ILE CB . 26749 1 596 . 1 . 1 55 55 ILE CD1 C 13 12.987 0.200 . 1 . . . . . 55 ILE CD1 . 26749 1 597 . 1 . 1 55 55 ILE CG1 C 13 27.336 0.200 . 1 . . . . . 55 ILE CG1 . 26749 1 598 . 1 . 1 55 55 ILE CG2 C 13 17.454 0.200 . 1 . . . . . 55 ILE CG2 . 26749 1 599 . 1 . 1 55 55 ILE H H 1 8.273 0.020 . 1 . . . . . 55 ILE H . 26749 1 600 . 1 . 1 55 55 ILE HA H 1 4.159 0.020 . 1 . . . . . 55 ILE HA . 26749 1 601 . 1 . 1 55 55 ILE HB H 1 1.829 0.020 . 1 . . . . . 55 ILE HB . 26749 1 602 . 1 . 1 55 55 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 55 ILE HD11 . 26749 1 603 . 1 . 1 55 55 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 55 ILE HD12 . 26749 1 604 . 1 . 1 55 55 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 55 ILE HD13 . 26749 1 605 . 1 . 1 55 55 ILE HG21 H 1 0.906 0.020 . 1 . . . . . 55 ILE HG21 . 26749 1 606 . 1 . 1 55 55 ILE HG22 H 1 0.906 0.020 . 1 . . . . . 55 ILE HG22 . 26749 1 607 . 1 . 1 55 55 ILE HG23 H 1 0.906 0.020 . 1 . . . . . 55 ILE HG23 . 26749 1 608 . 1 . 1 55 55 ILE N N 15 122.459 0.200 . 1 . . . . . 55 ILE N . 26749 1 609 . 1 . 1 56 56 SER C C 13 174.276 0.200 . 1 . . . . . 56 SER C . 26749 1 610 . 1 . 1 56 56 SER CA C 13 58.171 0.200 . 1 . . . . . 56 SER CA . 26749 1 611 . 1 . 1 56 56 SER CB C 13 63.894 0.200 . 1 . . . . . 56 SER CB . 26749 1 612 . 1 . 1 56 56 SER H H 1 8.411 0.020 . 1 . . . . . 56 SER H . 26749 1 613 . 1 . 1 56 56 SER HA H 1 4.466 0.020 . 1 . . . . . 56 SER HA . 26749 1 614 . 1 . 1 56 56 SER HB2 H 1 3.822 0.020 . 2 . . . . . 56 SER HB2 . 26749 1 615 . 1 . 1 56 56 SER HB3 H 1 3.871 0.020 . 2 . . . . . 56 SER HB3 . 26749 1 616 . 1 . 1 56 56 SER N N 15 119.486 0.200 . 1 . . . . . 56 SER N . 26749 1 617 . 1 . 1 57 57 ASN C C 13 175.222 0.200 . 1 . . . . . 57 ASN C . 26749 1 618 . 1 . 1 57 57 ASN CA C 13 53.200 0.200 . 1 . . . . . 57 ASN CA . 26749 1 619 . 1 . 1 57 57 ASN CB C 13 38.737 0.200 . 1 . . . . . 57 ASN CB . 26749 1 620 . 1 . 1 57 57 ASN H H 1 8.470 0.020 . 1 . . . . . 57 ASN H . 26749 1 621 . 1 . 1 57 57 ASN HA H 1 4.675 0.020 . 1 . . . . . 57 ASN HA . 26749 1 622 . 1 . 1 57 57 ASN HB2 H 1 2.719 0.020 . 2 . . . . . 57 ASN HB2 . 26749 1 623 . 1 . 1 57 57 ASN HB3 H 1 2.736 0.020 . 2 . . . . . 57 ASN HB3 . 26749 1 624 . 1 . 1 57 57 ASN N N 15 121.683 0.200 . 1 . . . . . 57 ASN N . 26749 1 625 . 1 . 1 58 58 LYS C C 13 176.337 0.200 . 1 . . . . . 58 LYS C . 26749 1 626 . 1 . 1 58 58 LYS CA C 13 56.658 0.200 . 1 . . . . . 58 LYS CA . 26749 1 627 . 1 . 1 58 58 LYS CB C 13 32.844 0.200 . 1 . . . . . 58 LYS CB . 26749 1 628 . 1 . 1 58 58 LYS CD C 13 29.153 0.200 . 1 . . . . . 58 LYS CD . 26749 1 629 . 1 . 1 58 58 LYS CE C 13 42.217 0.200 . 1 . . . . . 58 LYS CE . 26749 1 630 . 1 . 1 58 58 LYS CG C 13 24.843 0.200 . 1 . . . . . 58 LYS CG . 26749 1 631 . 1 . 1 58 58 LYS H H 1 8.261 0.020 . 1 . . . . . 58 LYS H . 26749 1 632 . 1 . 1 58 58 LYS HA H 1 4.188 0.020 . 1 . . . . . 58 LYS HA . 26749 1 633 . 1 . 1 58 58 LYS HB2 H 1 1.641 0.020 . 2 . . . . . 58 LYS HB2 . 26749 1 634 . 1 . 1 58 58 LYS HB3 H 1 1.657 0.020 . 2 . . . . . 58 LYS HB3 . 26749 1 635 . 1 . 1 58 58 LYS HG2 H 1 1.298 0.020 . 1 . . . . . 58 LYS HG2 . 26749 1 636 . 1 . 1 58 58 LYS HG3 H 1 1.298 0.020 . 1 . . . . . 58 LYS HG3 . 26749 1 637 . 1 . 1 58 58 LYS N N 15 121.608 0.200 . 1 . . . . . 58 LYS N . 26749 1 638 . 1 . 1 59 59 LEU C C 13 177.060 0.200 . 1 . . . . . 59 LEU C . 26749 1 639 . 1 . 1 59 59 LEU CA C 13 55.168 0.200 . 1 . . . . . 59 LEU CA . 26749 1 640 . 1 . 1 59 59 LEU CB C 13 42.203 0.200 . 1 . . . . . 59 LEU CB . 26749 1 641 . 1 . 1 59 59 LEU CD1 C 13 23.317 0.200 . 2 . . . . . 59 LEU CD1 . 26749 1 642 . 1 . 1 59 59 LEU CD2 C 13 24.755 0.200 . 2 . . . . . 59 LEU CD2 . 26749 1 643 . 1 . 1 59 59 LEU CG C 13 26.958 0.200 . 1 . . . . . 59 LEU CG . 26749 1 644 . 1 . 1 59 59 LEU H H 1 8.188 0.020 . 1 . . . . . 59 LEU H . 26749 1 645 . 1 . 1 59 59 LEU HA H 1 4.261 0.020 . 1 . . . . . 59 LEU HA . 26749 1 646 . 1 . 1 59 59 LEU HB2 H 1 1.417 0.020 . 2 . . . . . 59 LEU HB2 . 26749 1 647 . 1 . 1 59 59 LEU HB3 H 1 1.516 0.020 . 2 . . . . . 59 LEU HB3 . 26749 1 648 . 1 . 1 59 59 LEU HD11 H 1 0.820 0.020 . 2 . . . . . 59 LEU HD11 . 26749 1 649 . 1 . 1 59 59 LEU HD12 H 1 0.820 0.020 . 2 . . . . . 59 LEU HD12 . 26749 1 650 . 1 . 1 59 59 LEU HD13 H 1 0.820 0.020 . 2 . . . . . 59 LEU HD13 . 26749 1 651 . 1 . 1 59 59 LEU HD21 H 1 0.873 0.020 . 2 . . . . . 59 LEU HD21 . 26749 1 652 . 1 . 1 59 59 LEU HD22 H 1 0.873 0.020 . 2 . . . . . 59 LEU HD22 . 26749 1 653 . 1 . 1 59 59 LEU HD23 H 1 0.873 0.020 . 2 . . . . . 59 LEU HD23 . 26749 1 654 . 1 . 1 59 59 LEU N N 15 122.756 0.200 . 1 . . . . . 59 LEU N . 26749 1 655 . 1 . 1 60 60 TRP C C 13 175.911 0.200 . 1 . . . . . 60 TRP C . 26749 1 656 . 1 . 1 60 60 TRP CA C 13 56.900 0.200 . 1 . . . . . 60 TRP CA . 26749 1 657 . 1 . 1 60 60 TRP CB C 13 29.603 0.200 . 1 . . . . . 60 TRP CB . 26749 1 658 . 1 . 1 60 60 TRP H H 1 8.124 0.020 . 1 . . . . . 60 TRP H . 26749 1 659 . 1 . 1 60 60 TRP HA H 1 4.647 0.020 . 1 . . . . . 60 TRP HA . 26749 1 660 . 1 . 1 60 60 TRP HB2 H 1 3.300 0.020 . 2 . . . . . 60 TRP HB2 . 26749 1 661 . 1 . 1 60 60 TRP HB3 H 1 3.181 0.020 . 2 . . . . . 60 TRP HB3 . 26749 1 662 . 1 . 1 60 60 TRP N N 15 121.851 0.200 . 1 . . . . . 60 TRP N . 26749 1 663 . 1 . 1 61 61 ALA C C 13 177.417 0.200 . 1 . . . . . 61 ALA C . 26749 1 664 . 1 . 1 61 61 ALA CA C 13 52.327 0.200 . 1 . . . . . 61 ALA CA . 26749 1 665 . 1 . 1 61 61 ALA CB C 13 19.529 0.200 . 1 . . . . . 61 ALA CB . 26749 1 666 . 1 . 1 61 61 ALA H H 1 8.180 0.020 . 1 . . . . . 61 ALA H . 26749 1 667 . 1 . 1 61 61 ALA HA H 1 4.272 0.020 . 1 . . . . . 61 ALA HA . 26749 1 668 . 1 . 1 61 61 ALA HB1 H 1 1.309 0.020 . 1 . . . . . 61 ALA HB1 . 26749 1 669 . 1 . 1 61 61 ALA HB2 H 1 1.309 0.020 . 1 . . . . . 61 ALA HB2 . 26749 1 670 . 1 . 1 61 61 ALA HB3 H 1 1.309 0.020 . 1 . . . . . 61 ALA HB3 . 26749 1 671 . 1 . 1 61 61 ALA N N 15 125.497 0.200 . 1 . . . . . 61 ALA N . 26749 1 672 . 1 . 1 62 62 LYS C C 13 176.751 0.200 . 1 . . . . . 62 LYS C . 26749 1 673 . 1 . 1 62 62 LYS CA C 13 56.513 0.200 . 1 . . . . . 62 LYS CA . 26749 1 674 . 1 . 1 62 62 LYS CB C 13 33.151 0.200 . 1 . . . . . 62 LYS CB . 26749 1 675 . 1 . 1 62 62 LYS CD C 13 29.348 0.200 . 1 . . . . . 62 LYS CD . 26749 1 676 . 1 . 1 62 62 LYS CE C 13 42.239 0.200 . 1 . . . . . 62 LYS CE . 26749 1 677 . 1 . 1 62 62 LYS CG C 13 24.939 0.200 . 1 . . . . . 62 LYS CG . 26749 1 678 . 1 . 1 62 62 LYS H H 1 8.255 0.020 . 1 . . . . . 62 LYS H . 26749 1 679 . 1 . 1 62 62 LYS HA H 1 4.258 0.020 . 1 . . . . . 62 LYS HA . 26749 1 680 . 1 . 1 62 62 LYS HB2 H 1 1.713 0.020 . 2 . . . . . 62 LYS HB2 . 26749 1 681 . 1 . 1 62 62 LYS HB3 H 1 1.833 0.020 . 2 . . . . . 62 LYS HB3 . 26749 1 682 . 1 . 1 62 62 LYS HE2 H 1 2.966 0.020 . 1 . . . . . 62 LYS HE2 . 26749 1 683 . 1 . 1 62 62 LYS HE3 H 1 2.966 0.020 . 1 . . . . . 62 LYS HE3 . 26749 1 684 . 1 . 1 62 62 LYS HG2 H 1 1.439 0.020 . 1 . . . . . 62 LYS HG2 . 26749 1 685 . 1 . 1 62 62 LYS HG3 H 1 1.439 0.020 . 1 . . . . . 62 LYS HG3 . 26749 1 686 . 1 . 1 62 62 LYS N N 15 120.951 0.200 . 1 . . . . . 62 LYS N . 26749 1 687 . 1 . 1 63 63 SER C C 13 174.666 0.200 . 1 . . . . . 63 SER C . 26749 1 688 . 1 . 1 63 63 SER CA C 13 58.382 0.200 . 1 . . . . . 63 SER CA . 26749 1 689 . 1 . 1 63 63 SER CB C 13 63.900 0.200 . 1 . . . . . 63 SER CB . 26749 1 690 . 1 . 1 63 63 SER H H 1 8.392 0.020 . 1 . . . . . 63 SER H . 26749 1 691 . 1 . 1 63 63 SER HA H 1 4.489 0.020 . 1 . . . . . 63 SER HA . 26749 1 692 . 1 . 1 63 63 SER HB2 H 1 3.872 0.020 . 2 . . . . . 63 SER HB2 . 26749 1 693 . 1 . 1 63 63 SER HB3 H 1 3.918 0.020 . 2 . . . . . 63 SER HB3 . 26749 1 694 . 1 . 1 63 63 SER N N 15 116.826 0.200 . 1 . . . . . 63 SER N . 26749 1 695 . 1 . 1 64 64 SER C C 13 174.394 0.200 . 1 . . . . . 64 SER C . 26749 1 696 . 1 . 1 64 64 SER CA C 13 58.457 0.200 . 1 . . . . . 64 SER CA . 26749 1 697 . 1 . 1 64 64 SER CB C 13 63.825 0.200 . 1 . . . . . 64 SER CB . 26749 1 698 . 1 . 1 64 64 SER H H 1 8.430 0.020 . 1 . . . . . 64 SER H . 26749 1 699 . 1 . 1 64 64 SER HA H 1 4.486 0.020 . 1 . . . . . 64 SER HA . 26749 1 700 . 1 . 1 64 64 SER HB2 H 1 3.844 0.020 . 2 . . . . . 64 SER HB2 . 26749 1 701 . 1 . 1 64 64 SER HB3 H 1 3.906 0.020 . 2 . . . . . 64 SER HB3 . 26749 1 702 . 1 . 1 64 64 SER N N 15 117.852 0.200 . 1 . . . . . 64 SER N . 26749 1 703 . 1 . 1 65 65 GLN C C 13 175.656 0.200 . 1 . . . . . 65 GLN C . 26749 1 704 . 1 . 1 65 65 GLN CA C 13 55.772 0.200 . 1 . . . . . 65 GLN CA . 26749 1 705 . 1 . 1 65 65 GLN CB C 13 29.550 0.200 . 1 . . . . . 65 GLN CB . 26749 1 706 . 1 . 1 65 65 GLN CG C 13 33.809 0.200 . 1 . . . . . 65 GLN CG . 26749 1 707 . 1 . 1 65 65 GLN H H 1 8.404 0.020 . 1 . . . . . 65 GLN H . 26749 1 708 . 1 . 1 65 65 GLN HA H 1 4.371 0.020 . 1 . . . . . 65 GLN HA . 26749 1 709 . 1 . 1 65 65 GLN HB2 H 1 1.933 0.020 . 2 . . . . . 65 GLN HB2 . 26749 1 710 . 1 . 1 65 65 GLN HB3 H 1 2.080 0.020 . 2 . . . . . 65 GLN HB3 . 26749 1 711 . 1 . 1 65 65 GLN HG2 H 1 2.332 0.020 . 1 . . . . . 65 GLN HG2 . 26749 1 712 . 1 . 1 65 65 GLN HG3 H 1 2.332 0.020 . 1 . . . . . 65 GLN HG3 . 26749 1 713 . 1 . 1 65 65 GLN N N 15 122.220 0.200 . 1 . . . . . 65 GLN N . 26749 1 714 . 1 . 1 66 66 VAL C C 13 174.444 0.200 . 1 . . . . . 66 VAL C . 26749 1 715 . 1 . 1 66 66 VAL CA C 13 59.764 0.200 . 1 . . . . . 66 VAL CA . 26749 1 716 . 1 . 1 66 66 VAL CB C 13 32.364 0.200 . 1 . . . . . 66 VAL CB . 26749 1 717 . 1 . 1 66 66 VAL CG1 C 13 20.207 0.200 . 2 . . . . . 66 VAL CG1 . 26749 1 718 . 1 . 1 66 66 VAL CG2 C 13 20.782 0.200 . 2 . . . . . 66 VAL CG2 . 26749 1 719 . 1 . 1 66 66 VAL H H 1 8.216 0.020 . 1 . . . . . 66 VAL H . 26749 1 720 . 1 . 1 66 66 VAL HA H 1 4.396 0.020 . 1 . . . . . 66 VAL HA . 26749 1 721 . 1 . 1 66 66 VAL HB H 1 2.081 0.020 . 1 . . . . . 66 VAL HB . 26749 1 722 . 1 . 1 66 66 VAL HG11 H 1 0.963 0.020 . 2 . . . . . 66 VAL HG11 . 26749 1 723 . 1 . 1 66 66 VAL HG12 H 1 0.963 0.020 . 2 . . . . . 66 VAL HG12 . 26749 1 724 . 1 . 1 66 66 VAL HG13 H 1 0.963 0.020 . 2 . . . . . 66 VAL HG13 . 26749 1 725 . 1 . 1 66 66 VAL HG21 H 1 0.993 0.020 . 2 . . . . . 66 VAL HG21 . 26749 1 726 . 1 . 1 66 66 VAL HG22 H 1 0.993 0.020 . 2 . . . . . 66 VAL HG22 . 26749 1 727 . 1 . 1 66 66 VAL HG23 H 1 0.993 0.020 . 2 . . . . . 66 VAL HG23 . 26749 1 728 . 1 . 1 66 66 VAL N N 15 122.553 0.200 . 1 . . . . . 66 VAL N . 26749 1 729 . 1 . 1 67 67 PRO C C 13 176.812 0.200 . 1 . . . . . 67 PRO C . 26749 1 730 . 1 . 1 67 67 PRO CA C 13 63.179 0.200 . 1 . . . . . 67 PRO CA . 26749 1 731 . 1 . 1 67 67 PRO CB C 13 32.132 0.200 . 1 . . . . . 67 PRO CB . 26749 1 732 . 1 . 1 67 67 PRO CD C 13 50.884 0.200 . 1 . . . . . 67 PRO CD . 26749 1 733 . 1 . 1 67 67 PRO CG C 13 27.457 0.200 . 1 . . . . . 67 PRO CG . 26749 1 734 . 1 . 1 67 67 PRO HA H 1 4.407 0.020 . 1 . . . . . 67 PRO HA . 26749 1 735 . 1 . 1 67 67 PRO HB2 H 1 1.884 0.020 . 2 . . . . . 67 PRO HB2 . 26749 1 736 . 1 . 1 67 67 PRO HB3 H 1 2.291 0.020 . 2 . . . . . 67 PRO HB3 . 26749 1 737 . 1 . 1 67 67 PRO HD2 H 1 3.646 0.020 . 2 . . . . . 67 PRO HD2 . 26749 1 738 . 1 . 1 67 67 PRO HD3 H 1 3.877 0.020 . 2 . . . . . 67 PRO HD3 . 26749 1 739 . 1 . 1 67 67 PRO HG2 H 1 2.004 0.020 . 1 . . . . . 67 PRO HG2 . 26749 1 740 . 1 . 1 67 67 PRO HG3 H 1 2.004 0.020 . 1 . . . . . 67 PRO HG3 . 26749 1 741 . 1 . 1 68 68 GLN C C 13 176.222 0.200 . 1 . . . . . 68 GLN C . 26749 1 742 . 1 . 1 68 68 GLN CA C 13 55.983 0.200 . 1 . . . . . 68 GLN CA . 26749 1 743 . 1 . 1 68 68 GLN CB C 13 29.627 0.200 . 1 . . . . . 68 GLN CB . 26749 1 744 . 1 . 1 68 68 GLN CG C 13 33.802 0.200 . 1 . . . . . 68 GLN CG . 26749 1 745 . 1 . 1 68 68 GLN H H 1 8.560 0.020 . 1 . . . . . 68 GLN H . 26749 1 746 . 1 . 1 68 68 GLN HA H 1 4.305 0.020 . 1 . . . . . 68 GLN HA . 26749 1 747 . 1 . 1 68 68 GLN HB2 H 1 1.978 0.020 . 2 . . . . . 68 GLN HB2 . 26749 1 748 . 1 . 1 68 68 GLN HB3 H 1 2.099 0.020 . 2 . . . . . 68 GLN HB3 . 26749 1 749 . 1 . 1 68 68 GLN HG2 H 1 2.414 0.020 . 1 . . . . . 68 GLN HG2 . 26749 1 750 . 1 . 1 68 68 GLN HG3 H 1 2.414 0.020 . 1 . . . . . 68 GLN HG3 . 26749 1 751 . 1 . 1 68 68 GLN N N 15 121.111 0.200 . 1 . . . . . 68 GLN N . 26749 1 752 . 1 . 1 69 69 SER C C 13 174.532 0.200 . 1 . . . . . 69 SER C . 26749 1 753 . 1 . 1 69 69 SER CA C 13 58.349 0.200 . 1 . . . . . 69 SER CA . 26749 1 754 . 1 . 1 69 69 SER CB C 13 63.821 0.200 . 1 . . . . . 69 SER CB . 26749 1 755 . 1 . 1 69 69 SER H H 1 8.440 0.020 . 1 . . . . . 69 SER H . 26749 1 756 . 1 . 1 69 69 SER HA H 1 4.433 0.020 . 1 . . . . . 69 SER HA . 26749 1 757 . 1 . 1 69 69 SER HB2 H 1 3.856 0.020 . 2 . . . . . 69 SER HB2 . 26749 1 758 . 1 . 1 69 69 SER HB3 H 1 3.889 0.020 . 2 . . . . . 69 SER HB3 . 26749 1 759 . 1 . 1 69 69 SER N N 15 117.342 0.200 . 1 . . . . . 69 SER N . 26749 1 760 . 1 . 1 70 70 ARG C C 13 175.843 0.200 . 1 . . . . . 70 ARG C . 26749 1 761 . 1 . 1 70 70 ARG CA C 13 56.232 0.200 . 1 . . . . . 70 ARG CA . 26749 1 762 . 1 . 1 70 70 ARG CB C 13 30.939 0.200 . 1 . . . . . 70 ARG CB . 26749 1 763 . 1 . 1 70 70 ARG CD C 13 43.254 0.200 . 1 . . . . . 70 ARG CD . 26749 1 764 . 1 . 1 70 70 ARG CG C 13 27.167 0.200 . 1 . . . . . 70 ARG CG . 26749 1 765 . 1 . 1 70 70 ARG H H 1 8.499 0.020 . 1 . . . . . 70 ARG H . 26749 1 766 . 1 . 1 70 70 ARG HA H 1 4.355 0.020 . 1 . . . . . 70 ARG HA . 26749 1 767 . 1 . 1 70 70 ARG HB2 H 1 1.736 0.020 . 2 . . . . . 70 ARG HB2 . 26749 1 768 . 1 . 1 70 70 ARG HB3 H 1 1.848 0.020 . 2 . . . . . 70 ARG HB3 . 26749 1 769 . 1 . 1 70 70 ARG HD2 H 1 3.184 0.020 . 1 . . . . . 70 ARG HD2 . 26749 1 770 . 1 . 1 70 70 ARG HD3 H 1 3.184 0.020 . 1 . . . . . 70 ARG HD3 . 26749 1 771 . 1 . 1 70 70 ARG HG2 H 1 1.620 0.020 . 1 . . . . . 70 ARG HG2 . 26749 1 772 . 1 . 1 70 70 ARG HG3 H 1 1.620 0.020 . 1 . . . . . 70 ARG HG3 . 26749 1 773 . 1 . 1 70 70 ARG N N 15 122.941 0.200 . 1 . . . . . 70 ARG N . 26749 1 774 . 1 . 1 71 71 ASN C C 13 175.199 0.200 . 1 . . . . . 71 ASN C . 26749 1 775 . 1 . 1 71 71 ASN CA C 13 53.370 0.200 . 1 . . . . . 71 ASN CA . 26749 1 776 . 1 . 1 71 71 ASN CB C 13 38.762 0.200 . 1 . . . . . 71 ASN CB . 26749 1 777 . 1 . 1 71 71 ASN H H 1 8.516 0.020 . 1 . . . . . 71 ASN H . 26749 1 778 . 1 . 1 71 71 ASN HA H 1 4.744 0.020 . 1 . . . . . 71 ASN HA . 26749 1 779 . 1 . 1 71 71 ASN HB2 H 1 2.814 0.020 . 2 . . . . . 71 ASN HB2 . 26749 1 780 . 1 . 1 71 71 ASN HB3 H 1 2.925 0.020 . 2 . . . . . 71 ASN HB3 . 26749 1 781 . 1 . 1 71 71 ASN N N 15 120.314 0.200 . 1 . . . . . 71 ASN N . 26749 1 782 . 1 . 1 72 72 ILE C C 13 175.853 0.200 . 1 . . . . . 72 ILE C . 26749 1 783 . 1 . 1 72 72 ILE CA C 13 61.344 0.200 . 1 . . . . . 72 ILE CA . 26749 1 784 . 1 . 1 72 72 ILE CB C 13 38.717 0.200 . 1 . . . . . 72 ILE CB . 26749 1 785 . 1 . 1 72 72 ILE CD1 C 13 12.967 0.200 . 1 . . . . . 72 ILE CD1 . 26749 1 786 . 1 . 1 72 72 ILE CG1 C 13 27.238 0.200 . 1 . . . . . 72 ILE CG1 . 26749 1 787 . 1 . 1 72 72 ILE CG2 C 13 17.447 0.200 . 1 . . . . . 72 ILE CG2 . 26749 1 788 . 1 . 1 72 72 ILE H H 1 8.176 0.020 . 1 . . . . . 72 ILE H . 26749 1 789 . 1 . 1 72 72 ILE HA H 1 4.141 0.020 . 1 . . . . . 72 ILE HA . 26749 1 790 . 1 . 1 72 72 ILE HB H 1 1.868 0.020 . 1 . . . . . 72 ILE HB . 26749 1 791 . 1 . 1 72 72 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 72 ILE HD11 . 26749 1 792 . 1 . 1 72 72 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 72 ILE HD12 . 26749 1 793 . 1 . 1 72 72 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 72 ILE HD13 . 26749 1 794 . 1 . 1 72 72 ILE HG12 H 1 1.435 0.020 . 2 . . . . . 72 ILE HG12 . 26749 1 795 . 1 . 1 72 72 ILE HG13 H 1 1.167 0.020 . 2 . . . . . 72 ILE HG13 . 26749 1 796 . 1 . 1 72 72 ILE HG21 H 1 0.903 0.020 . 1 . . . . . 72 ILE HG21 . 26749 1 797 . 1 . 1 72 72 ILE HG22 H 1 0.903 0.020 . 1 . . . . . 72 ILE HG22 . 26749 1 798 . 1 . 1 72 72 ILE HG23 H 1 0.903 0.020 . 1 . . . . . 72 ILE HG23 . 26749 1 799 . 1 . 1 72 72 ILE N N 15 121.729 0.200 . 1 . . . . . 72 ILE N . 26749 1 800 . 1 . 1 73 73 ALA C C 13 177.424 0.200 . 1 . . . . . 73 ALA C . 26749 1 801 . 1 . 1 73 73 ALA CA C 13 52.655 0.200 . 1 . . . . . 73 ALA CA . 26749 1 802 . 1 . 1 73 73 ALA CB C 13 19.205 0.200 . 1 . . . . . 73 ALA CB . 26749 1 803 . 1 . 1 73 73 ALA H H 1 8.363 0.020 . 1 . . . . . 73 ALA H . 26749 1 804 . 1 . 1 73 73 ALA HA H 1 4.296 0.020 . 1 . . . . . 73 ALA HA . 26749 1 805 . 1 . 1 73 73 ALA HB1 H 1 1.373 0.020 . 1 . . . . . 73 ALA HB1 . 26749 1 806 . 1 . 1 73 73 ALA HB2 H 1 1.373 0.020 . 1 . . . . . 73 ALA HB2 . 26749 1 807 . 1 . 1 73 73 ALA HB3 H 1 1.373 0.020 . 1 . . . . . 73 ALA HB3 . 26749 1 808 . 1 . 1 73 73 ALA N N 15 127.113 0.200 . 1 . . . . . 73 ALA N . 26749 1 809 . 1 . 1 74 74 ASP C C 13 175.137 0.200 . 1 . . . . . 74 ASP C . 26749 1 810 . 1 . 1 74 74 ASP CA C 13 53.008 0.200 . 1 . . . . . 74 ASP CA . 26749 1 811 . 1 . 1 74 74 ASP CB C 13 37.903 0.200 . 1 . . . . . 74 ASP CB . 26749 1 812 . 1 . 1 74 74 ASP H H 1 8.387 0.020 . 1 . . . . . 74 ASP H . 26749 1 813 . 1 . 1 74 74 ASP HA H 1 4.725 0.020 . 1 . . . . . 74 ASP HA . 26749 1 814 . 1 . 1 74 74 ASP HB2 H 1 2.845 0.020 . 2 . . . . . 74 ASP HB2 . 26749 1 815 . 1 . 1 74 74 ASP HB3 H 1 2.953 0.020 . 2 . . . . . 74 ASP HB3 . 26749 1 816 . 1 . 1 74 74 ASP N N 15 118.343 0.200 . 1 . . . . . 74 ASP N . 26749 1 817 . 1 . 1 75 75 ILE C C 13 176.396 0.200 . 1 . . . . . 75 ILE C . 26749 1 818 . 1 . 1 75 75 ILE CA C 13 61.560 0.200 . 1 . . . . . 75 ILE CA . 26749 1 819 . 1 . 1 75 75 ILE CB C 13 38.111 0.200 . 1 . . . . . 75 ILE CB . 26749 1 820 . 1 . 1 75 75 ILE CD1 C 13 12.987 0.200 . 1 . . . . . 75 ILE CD1 . 26749 1 821 . 1 . 1 75 75 ILE CG1 C 13 27.336 0.200 . 1 . . . . . 75 ILE CG1 . 26749 1 822 . 1 . 1 75 75 ILE CG2 C 13 17.454 0.200 . 1 . . . . . 75 ILE CG2 . 26749 1 823 . 1 . 1 75 75 ILE H H 1 8.067 0.020 . 1 . . . . . 75 ILE H . 26749 1 824 . 1 . 1 75 75 ILE HA H 1 4.188 0.020 . 1 . . . . . 75 ILE HA . 26749 1 825 . 1 . 1 75 75 ILE HB H 1 1.894 0.020 . 1 . . . . . 75 ILE HB . 26749 1 826 . 1 . 1 75 75 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 75 ILE HD11 . 26749 1 827 . 1 . 1 75 75 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 75 ILE HD12 . 26749 1 828 . 1 . 1 75 75 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 75 ILE HD13 . 26749 1 829 . 1 . 1 75 75 ILE HG12 H 1 1.175 0.020 . 2 . . . . . 75 ILE HG12 . 26749 1 830 . 1 . 1 75 75 ILE HG13 H 1 1.455 0.020 . 2 . . . . . 75 ILE HG13 . 26749 1 831 . 1 . 1 75 75 ILE HG21 H 1 0.905 0.020 . 1 . . . . . 75 ILE HG21 . 26749 1 832 . 1 . 1 75 75 ILE HG22 H 1 0.905 0.020 . 1 . . . . . 75 ILE HG22 . 26749 1 833 . 1 . 1 75 75 ILE HG23 H 1 0.905 0.020 . 1 . . . . . 75 ILE HG23 . 26749 1 834 . 1 . 1 75 75 ILE N N 15 121.065 0.200 . 1 . . . . . 75 ILE N . 26749 1 835 . 1 . 1 76 76 SER C C 13 174.432 0.200 . 1 . . . . . 76 SER C . 26749 1 836 . 1 . 1 76 76 SER CA C 13 58.666 0.200 . 1 . . . . . 76 SER CA . 26749 1 837 . 1 . 1 76 76 SER CB C 13 63.652 0.200 . 1 . . . . . 76 SER CB . 26749 1 838 . 1 . 1 76 76 SER H H 1 8.369 0.020 . 1 . . . . . 76 SER H . 26749 1 839 . 1 . 1 76 76 SER HA H 1 4.417 0.020 . 1 . . . . . 76 SER HA . 26749 1 840 . 1 . 1 76 76 SER HB2 H 1 3.888 0.020 . 2 . . . . . 76 SER HB2 . 26749 1 841 . 1 . 1 76 76 SER HB3 H 1 3.872 0.020 . 2 . . . . . 76 SER HB3 . 26749 1 842 . 1 . 1 76 76 SER N N 15 119.236 0.200 . 1 . . . . . 76 SER N . 26749 1 843 . 1 . 1 77 77 ALA C C 13 177.510 0.200 . 1 . . . . . 77 ALA C . 26749 1 844 . 1 . 1 77 77 ALA CA C 13 52.745 0.200 . 1 . . . . . 77 ALA CA . 26749 1 845 . 1 . 1 77 77 ALA CB C 13 19.082 0.200 . 1 . . . . . 77 ALA CB . 26749 1 846 . 1 . 1 77 77 ALA H H 1 8.252 0.020 . 1 . . . . . 77 ALA H . 26749 1 847 . 1 . 1 77 77 ALA HA H 1 4.296 0.020 . 1 . . . . . 77 ALA HA . 26749 1 848 . 1 . 1 77 77 ALA HB1 H 1 1.390 0.020 . 1 . . . . . 77 ALA HB1 . 26749 1 849 . 1 . 1 77 77 ALA HB2 H 1 1.390 0.020 . 1 . . . . . 77 ALA HB2 . 26749 1 850 . 1 . 1 77 77 ALA HB3 H 1 1.390 0.020 . 1 . . . . . 77 ALA HB3 . 26749 1 851 . 1 . 1 77 77 ALA N N 15 125.596 0.200 . 1 . . . . . 77 ALA N . 26749 1 852 . 1 . 1 78 78 ASP C C 13 175.127 0.200 . 1 . . . . . 78 ASP C . 26749 1 853 . 1 . 1 78 78 ASP CA C 13 53.060 0.200 . 1 . . . . . 78 ASP CA . 26749 1 854 . 1 . 1 78 78 ASP CB C 13 37.901 0.200 . 1 . . . . . 78 ASP CB . 26749 1 855 . 1 . 1 78 78 ASP H H 1 8.334 0.020 . 1 . . . . . 78 ASP H . 26749 1 856 . 1 . 1 78 78 ASP HA H 1 4.639 0.020 . 1 . . . . . 78 ASP HA . 26749 1 857 . 1 . 1 78 78 ASP HB2 H 1 1.938 0.020 . 2 . . . . . 78 ASP HB2 . 26749 1 858 . 1 . 1 78 78 ASP HB3 H 1 2.078 0.020 . 2 . . . . . 78 ASP HB3 . 26749 1 859 . 1 . 1 78 78 ASP N N 15 117.708 0.200 . 1 . . . . . 78 ASP N . 26749 1 860 . 1 . 1 79 79 LYS C C 13 176.219 0.200 . 1 . . . . . 79 LYS C . 26749 1 861 . 1 . 1 79 79 LYS CA C 13 56.865 0.200 . 1 . . . . . 79 LYS CA . 26749 1 862 . 1 . 1 79 79 LYS CB C 13 32.880 0.200 . 1 . . . . . 79 LYS CB . 26749 1 863 . 1 . 1 79 79 LYS CD C 13 29.123 0.200 . 1 . . . . . 79 LYS CD . 26749 1 864 . 1 . 1 79 79 LYS CE C 13 42.192 0.200 . 1 . . . . . 79 LYS CE . 26749 1 865 . 1 . 1 79 79 LYS CG C 13 24.628 0.200 . 1 . . . . . 79 LYS CG . 26749 1 866 . 1 . 1 79 79 LYS H H 1 8.216 0.020 . 1 . . . . . 79 LYS H . 26749 1 867 . 1 . 1 79 79 LYS HA H 1 4.186 0.020 . 1 . . . . . 79 LYS HA . 26749 1 868 . 1 . 1 79 79 LYS HB2 H 1 1.638 0.020 . 2 . . . . . 79 LYS HB2 . 26749 1 869 . 1 . 1 79 79 LYS HB3 H 1 1.651 0.020 . 2 . . . . . 79 LYS HB3 . 26749 1 870 . 1 . 1 79 79 LYS HD2 H 1 1.561 0.020 . 1 . . . . . 79 LYS HD2 . 26749 1 871 . 1 . 1 79 79 LYS HG2 H 1 1.232 0.020 . 1 . . . . . 79 LYS HG2 . 26749 1 872 . 1 . 1 79 79 LYS HG3 H 1 1.232 0.020 . 1 . . . . . 79 LYS HG3 . 26749 1 873 . 1 . 1 79 79 LYS N N 15 122.033 0.200 . 1 . . . . . 79 LYS N . 26749 1 874 . 1 . 1 80 80 PHE C C 13 175.703 0.200 . 1 . . . . . 80 PHE C . 26749 1 875 . 1 . 1 80 80 PHE CA C 13 57.772 0.200 . 1 . . . . . 80 PHE CA . 26749 1 876 . 1 . 1 80 80 PHE CB C 13 39.199 0.200 . 1 . . . . . 80 PHE CB . 26749 1 877 . 1 . 1 80 80 PHE H H 1 8.126 0.020 . 1 . . . . . 80 PHE H . 26749 1 878 . 1 . 1 80 80 PHE HA H 1 4.614 0.020 . 1 . . . . . 80 PHE HA . 26749 1 879 . 1 . 1 80 80 PHE HB2 H 1 2.992 0.020 . 2 . . . . . 80 PHE HB2 . 26749 1 880 . 1 . 1 80 80 PHE HB3 H 1 3.172 0.020 . 2 . . . . . 80 PHE HB3 . 26749 1 881 . 1 . 1 80 80 PHE N N 15 120.056 0.200 . 1 . . . . . 80 PHE N . 26749 1 882 . 1 . 1 81 81 LEU C C 13 176.889 0.200 . 1 . . . . . 81 LEU C . 26749 1 883 . 1 . 1 81 81 LEU CA C 13 55.192 0.200 . 1 . . . . . 81 LEU CA . 26749 1 884 . 1 . 1 81 81 LEU CB C 13 42.405 0.200 . 1 . . . . . 81 LEU CB . 26749 1 885 . 1 . 1 81 81 LEU CD1 C 13 23.451 0.200 . 2 . . . . . 81 LEU CD1 . 26749 1 886 . 1 . 1 81 81 LEU CD2 C 13 24.939 0.200 . 2 . . . . . 81 LEU CD2 . 26749 1 887 . 1 . 1 81 81 LEU CG C 13 26.992 0.200 . 1 . . . . . 81 LEU CG . 26749 1 888 . 1 . 1 81 81 LEU H H 1 8.091 0.020 . 1 . . . . . 81 LEU H . 26749 1 889 . 1 . 1 81 81 LEU HA H 1 4.293 0.020 . 1 . . . . . 81 LEU HA . 26749 1 890 . 1 . 1 81 81 LEU HB2 H 1 1.526 0.020 . 2 . . . . . 81 LEU HB2 . 26749 1 891 . 1 . 1 81 81 LEU HB3 H 1 1.601 0.020 . 2 . . . . . 81 LEU HB3 . 26749 1 892 . 1 . 1 81 81 LEU HD11 H 1 0.825 0.020 . 1 . . . . . 81 LEU HD11 . 26749 1 893 . 1 . 1 81 81 LEU HD12 H 1 0.825 0.020 . 1 . . . . . 81 LEU HD12 . 26749 1 894 . 1 . 1 81 81 LEU HD13 H 1 0.825 0.020 . 1 . . . . . 81 LEU HD13 . 26749 1 895 . 1 . 1 81 81 LEU N N 15 123.027 0.200 . 1 . . . . . 81 LEU N . 26749 1 896 . 1 . 1 82 82 ASP C C 13 174.855 0.200 . 1 . . . . . 82 ASP C . 26749 1 897 . 1 . 1 82 82 ASP CA C 13 53.108 0.200 . 1 . . . . . 82 ASP CA . 26749 1 898 . 1 . 1 82 82 ASP CB C 13 39.030 0.200 . 1 . . . . . 82 ASP CB . 26749 1 899 . 1 . 1 82 82 ASP H H 1 8.412 0.020 . 1 . . . . . 82 ASP H . 26749 1 900 . 1 . 1 82 82 ASP HA H 1 4.653 0.020 . 1 . . . . . 82 ASP HA . 26749 1 901 . 1 . 1 82 82 ASP HB2 H 1 2.829 0.020 . 2 . . . . . 82 ASP HB2 . 26749 1 902 . 1 . 1 82 82 ASP HB3 H 1 2.972 0.020 . 2 . . . . . 82 ASP HB3 . 26749 1 903 . 1 . 1 82 82 ASP N N 15 119.405 0.200 . 1 . . . . . 82 ASP N . 26749 1 904 . 1 . 1 83 83 ASP C C 13 174.709 0.200 . 1 . . . . . 83 ASP C . 26749 1 905 . 1 . 1 83 83 ASP CA C 13 53.007 0.200 . 1 . . . . . 83 ASP CA . 26749 1 906 . 1 . 1 83 83 ASP CB C 13 38.834 0.200 . 1 . . . . . 83 ASP CB . 26749 1 907 . 1 . 1 83 83 ASP H H 1 8.411 0.020 . 1 . . . . . 83 ASP H . 26749 1 908 . 1 . 1 83 83 ASP HA H 1 4.722 0.020 . 1 . . . . . 83 ASP HA . 26749 1 909 . 1 . 1 83 83 ASP HB2 H 1 2.891 0.020 . 2 . . . . . 83 ASP HB2 . 26749 1 910 . 1 . 1 83 83 ASP HB3 H 1 2.918 0.020 . 2 . . . . . 83 ASP HB3 . 26749 1 911 . 1 . 1 83 83 ASP N N 15 119.222 0.200 . 1 . . . . . 83 ASP N . 26749 1 912 . 1 . 1 84 84 ASP C C 13 174.874 0.200 . 1 . . . . . 84 ASP C . 26749 1 913 . 1 . 1 84 84 ASP CA C 13 52.918 0.200 . 1 . . . . . 84 ASP CA . 26749 1 914 . 1 . 1 84 84 ASP CB C 13 38.068 0.200 . 1 . . . . . 84 ASP CB . 26749 1 915 . 1 . 1 84 84 ASP H H 1 8.372 0.020 . 1 . . . . . 84 ASP H . 26749 1 916 . 1 . 1 84 84 ASP HA H 1 4.738 0.020 . 1 . . . . . 84 ASP HA . 26749 1 917 . 1 . 1 84 84 ASP HB2 H 1 2.822 0.020 . 2 . . . . . 84 ASP HB2 . 26749 1 918 . 1 . 1 84 84 ASP HB3 H 1 2.924 0.020 . 2 . . . . . 84 ASP HB3 . 26749 1 919 . 1 . 1 84 84 ASP N N 15 119.295 0.200 . 1 . . . . . 84 ASP N . 26749 1 920 . 1 . 1 85 85 ILE C C 13 176.453 0.200 . 1 . . . . . 85 ILE C . 26749 1 921 . 1 . 1 85 85 ILE CA C 13 61.552 0.200 . 1 . . . . . 85 ILE CA . 26749 1 922 . 1 . 1 85 85 ILE CB C 13 38.575 0.200 . 1 . . . . . 85 ILE CB . 26749 1 923 . 1 . 1 85 85 ILE CD1 C 13 12.896 0.200 . 1 . . . . . 85 ILE CD1 . 26749 1 924 . 1 . 1 85 85 ILE CG1 C 13 27.370 0.200 . 1 . . . . . 85 ILE CG1 . 26749 1 925 . 1 . 1 85 85 ILE CG2 C 13 17.504 0.200 . 1 . . . . . 85 ILE CG2 . 26749 1 926 . 1 . 1 85 85 ILE H H 1 8.070 0.020 . 1 . . . . . 85 ILE H . 26749 1 927 . 1 . 1 85 85 ILE HA H 1 4.205 0.020 . 1 . . . . . 85 ILE HA . 26749 1 928 . 1 . 1 85 85 ILE HB H 1 1.892 0.020 . 1 . . . . . 85 ILE HB . 26749 1 929 . 1 . 1 85 85 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 85 ILE HD11 . 26749 1 930 . 1 . 1 85 85 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 85 ILE HD12 . 26749 1 931 . 1 . 1 85 85 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 85 ILE HD13 . 26749 1 932 . 1 . 1 85 85 ILE HG12 H 1 1.170 0.020 . 2 . . . . . 85 ILE HG12 . 26749 1 933 . 1 . 1 85 85 ILE HG13 H 1 1.447 0.020 . 2 . . . . . 85 ILE HG13 . 26749 1 934 . 1 . 1 85 85 ILE HG21 H 1 0.889 0.020 . 1 . . . . . 85 ILE HG21 . 26749 1 935 . 1 . 1 85 85 ILE HG22 H 1 0.889 0.020 . 1 . . . . . 85 ILE HG22 . 26749 1 936 . 1 . 1 85 85 ILE HG23 H 1 0.889 0.020 . 1 . . . . . 85 ILE HG23 . 26749 1 937 . 1 . 1 85 85 ILE N N 15 121.014 0.200 . 1 . . . . . 85 ILE N . 26749 1 938 . 1 . 1 86 86 THR C C 13 174.303 0.200 . 1 . . . . . 86 THR C . 26749 1 939 . 1 . 1 86 86 THR CA C 13 62.008 0.200 . 1 . . . . . 86 THR CA . 26749 1 940 . 1 . 1 86 86 THR CB C 13 69.606 0.200 . 1 . . . . . 86 THR CB . 26749 1 941 . 1 . 1 86 86 THR CG2 C 13 21.480 0.200 . 1 . . . . . 86 THR CG2 . 26749 1 942 . 1 . 1 86 86 THR H H 1 8.195 0.020 . 1 . . . . . 86 THR H . 26749 1 943 . 1 . 1 86 86 THR HA H 1 4.331 0.020 . 1 . . . . . 86 THR HA . 26749 1 944 . 1 . 1 86 86 THR HB H 1 4.211 0.020 . 1 . . . . . 86 THR HB . 26749 1 945 . 1 . 1 86 86 THR HG21 H 1 1.189 0.020 . 1 . . . . . 86 THR HG21 . 26749 1 946 . 1 . 1 86 86 THR HG22 H 1 1.189 0.020 . 1 . . . . . 86 THR HG22 . 26749 1 947 . 1 . 1 86 86 THR HG23 H 1 1.189 0.020 . 1 . . . . . 86 THR HG23 . 26749 1 948 . 1 . 1 86 86 THR N N 15 117.447 0.200 . 1 . . . . . 86 THR N . 26749 1 949 . 1 . 1 87 87 ASP C C 13 174.705 0.200 . 1 . . . . . 87 ASP C . 26749 1 950 . 1 . 1 87 87 ASP CA C 13 53.108 0.200 . 1 . . . . . 87 ASP CA . 26749 1 951 . 1 . 1 87 87 ASP CB C 13 38.103 0.200 . 1 . . . . . 87 ASP CB . 26749 1 952 . 1 . 1 87 87 ASP H H 1 8.429 0.020 . 1 . . . . . 87 ASP H . 26749 1 953 . 1 . 1 87 87 ASP HA H 1 4.725 0.020 . 1 . . . . . 87 ASP HA . 26749 1 954 . 1 . 1 87 87 ASP HB2 H 1 2.862 0.020 . 2 . . . . . 87 ASP HB2 . 26749 1 955 . 1 . 1 87 87 ASP HB3 H 1 2.947 0.020 . 2 . . . . . 87 ASP HB3 . 26749 1 956 . 1 . 1 87 87 ASP N N 15 120.897 0.200 . 1 . . . . . 87 ASP N . 26749 1 957 . 1 . 1 88 88 ASP C C 13 174.999 0.200 . 1 . . . . . 88 ASP C . 26749 1 958 . 1 . 1 88 88 ASP CA C 13 53.005 0.200 . 1 . . . . . 88 ASP CA . 26749 1 959 . 1 . 1 88 88 ASP CB C 13 37.957 0.200 . 1 . . . . . 88 ASP CB . 26749 1 960 . 1 . 1 88 88 ASP H H 1 8.449 0.020 . 1 . . . . . 88 ASP H . 26749 1 961 . 1 . 1 88 88 ASP HA H 1 4.723 0.020 . 1 . . . . . 88 ASP HA . 26749 1 962 . 1 . 1 88 88 ASP HB2 H 1 2.849 0.020 . 2 . . . . . 88 ASP HB2 . 26749 1 963 . 1 . 1 88 88 ASP HB3 H 1 2.925 0.020 . 2 . . . . . 88 ASP HB3 . 26749 1 964 . 1 . 1 88 88 ASP N N 15 119.902 0.200 . 1 . . . . . 88 ASP N . 26749 1 965 . 1 . 1 89 89 ILE C C 13 176.266 0.200 . 1 . . . . . 89 ILE C . 26749 1 966 . 1 . 1 89 89 ILE CA C 13 61.644 0.200 . 1 . . . . . 89 ILE CA . 26749 1 967 . 1 . 1 89 89 ILE CB C 13 38.516 0.200 . 1 . . . . . 89 ILE CB . 26749 1 968 . 1 . 1 89 89 ILE CD1 C 13 12.956 0.200 . 1 . . . . . 89 ILE CD1 . 26749 1 969 . 1 . 1 89 89 ILE CG1 C 13 27.443 0.200 . 1 . . . . . 89 ILE CG1 . 26749 1 970 . 1 . 1 89 89 ILE CG2 C 13 17.439 0.200 . 1 . . . . . 89 ILE CG2 . 26749 1 971 . 1 . 1 89 89 ILE H H 1 8.086 0.020 . 1 . . . . . 89 ILE H . 26749 1 972 . 1 . 1 89 89 ILE HA H 1 4.125 0.020 . 1 . . . . . 89 ILE HA . 26749 1 973 . 1 . 1 89 89 ILE HB H 1 1.869 0.020 . 1 . . . . . 89 ILE HB . 26749 1 974 . 1 . 1 89 89 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 89 ILE HD11 . 26749 1 975 . 1 . 1 89 89 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 89 ILE HD12 . 26749 1 976 . 1 . 1 89 89 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 89 ILE HD13 . 26749 1 977 . 1 . 1 89 89 ILE HG12 H 1 1.173 0.020 . 2 . . . . . 89 ILE HG12 . 26749 1 978 . 1 . 1 89 89 ILE HG13 H 1 1.459 0.020 . 2 . . . . . 89 ILE HG13 . 26749 1 979 . 1 . 1 89 89 ILE HG21 H 1 0.885 0.020 . 1 . . . . . 89 ILE HG21 . 26749 1 980 . 1 . 1 89 89 ILE HG22 H 1 0.885 0.020 . 1 . . . . . 89 ILE HG22 . 26749 1 981 . 1 . 1 89 89 ILE HG23 H 1 0.885 0.020 . 1 . . . . . 89 ILE HG23 . 26749 1 982 . 1 . 1 89 89 ILE N N 15 121.439 0.200 . 1 . . . . . 89 ILE N . 26749 1 983 . 1 . 1 90 90 MET C C 13 175.897 0.200 . 1 . . . . . 90 MET C . 26749 1 984 . 1 . 1 90 90 MET CA C 13 55.264 0.200 . 1 . . . . . 90 MET CA . 26749 1 985 . 1 . 1 90 90 MET CB C 13 32.565 0.200 . 1 . . . . . 90 MET CB . 26749 1 986 . 1 . 1 90 90 MET CG C 13 31.739 0.200 . 1 . . . . . 90 MET CG . 26749 1 987 . 1 . 1 90 90 MET H H 1 8.383 0.020 . 1 . . . . . 90 MET H . 26749 1 988 . 1 . 1 90 90 MET HA H 1 4.459 0.020 . 1 . . . . . 90 MET HA . 26749 1 989 . 1 . 1 90 90 MET HB2 H 1 1.991 0.020 . 2 . . . . . 90 MET HB2 . 26749 1 990 . 1 . 1 90 90 MET HB3 H 1 2.071 0.020 . 2 . . . . . 90 MET HB3 . 26749 1 991 . 1 . 1 90 90 MET HG2 H 1 2.527 0.020 . 2 . . . . . 90 MET HG2 . 26749 1 992 . 1 . 1 90 90 MET HG3 H 1 2.623 0.020 . 2 . . . . . 90 MET HG3 . 26749 1 993 . 1 . 1 90 90 MET N N 15 123.967 0.200 . 1 . . . . . 90 MET N . 26749 1 994 . 1 . 1 91 91 ALA C C 13 177.286 0.200 . 1 . . . . . 91 ALA C . 26749 1 995 . 1 . 1 91 91 ALA CA C 13 52.436 0.200 . 1 . . . . . 91 ALA CA . 26749 1 996 . 1 . 1 91 91 ALA CB C 13 19.275 0.200 . 1 . . . . . 91 ALA CB . 26749 1 997 . 1 . 1 91 91 ALA H H 1 8.215 0.020 . 1 . . . . . 91 ALA H . 26749 1 998 . 1 . 1 91 91 ALA HA H 1 4.273 0.020 . 1 . . . . . 91 ALA HA . 26749 1 999 . 1 . 1 91 91 ALA HB1 H 1 1.381 0.020 . 1 . . . . . 91 ALA HB1 . 26749 1 1000 . 1 . 1 91 91 ALA HB2 H 1 1.381 0.020 . 1 . . . . . 91 ALA HB2 . 26749 1 1001 . 1 . 1 91 91 ALA HB3 H 1 1.381 0.020 . 1 . . . . . 91 ALA HB3 . 26749 1 1002 . 1 . 1 91 91 ALA N N 15 125.339 0.200 . 1 . . . . . 91 ALA N . 26749 1 1003 . 1 . 1 92 92 ALA C C 13 177.716 0.200 . 1 . . . . . 92 ALA C . 26749 1 1004 . 1 . 1 92 92 ALA CA C 13 52.470 0.200 . 1 . . . . . 92 ALA CA . 26749 1 1005 . 1 . 1 92 92 ALA CB C 13 19.168 0.200 . 1 . . . . . 92 ALA CB . 26749 1 1006 . 1 . 1 92 92 ALA H H 1 8.240 0.020 . 1 . . . . . 92 ALA H . 26749 1 1007 . 1 . 1 92 92 ALA HA H 1 4.262 0.020 . 1 . . . . . 92 ALA HA . 26749 1 1008 . 1 . 1 92 92 ALA HB1 H 1 1.381 0.020 . 1 . . . . . 92 ALA HB1 . 26749 1 1009 . 1 . 1 92 92 ALA HB2 H 1 1.381 0.020 . 1 . . . . . 92 ALA HB2 . 26749 1 1010 . 1 . 1 92 92 ALA HB3 H 1 1.381 0.020 . 1 . . . . . 92 ALA HB3 . 26749 1 1011 . 1 . 1 92 92 ALA N N 15 123.588 0.200 . 1 . . . . . 92 ALA N . 26749 1 1012 . 1 . 1 93 93 LYS C C 13 176.515 0.200 . 1 . . . . . 93 LYS C . 26749 1 1013 . 1 . 1 93 93 LYS CA C 13 56.381 0.200 . 1 . . . . . 93 LYS CA . 26749 1 1014 . 1 . 1 93 93 LYS CB C 13 33.203 0.200 . 1 . . . . . 93 LYS CB . 26749 1 1015 . 1 . 1 93 93 LYS CD C 13 29.343 0.200 . 1 . . . . . 93 LYS CD . 26749 1 1016 . 1 . 1 93 93 LYS CE C 13 42.250 0.200 . 1 . . . . . 93 LYS CE . 26749 1 1017 . 1 . 1 93 93 LYS CG C 13 25.051 0.200 . 1 . . . . . 93 LYS CG . 26749 1 1018 . 1 . 1 93 93 LYS H H 1 8.314 0.020 . 1 . . . . . 93 LYS H . 26749 1 1019 . 1 . 1 93 93 LYS HA H 1 4.258 0.020 . 1 . . . . . 93 LYS HA . 26749 1 1020 . 1 . 1 93 93 LYS HB2 H 1 1.733 0.020 . 2 . . . . . 93 LYS HB2 . 26749 1 1021 . 1 . 1 93 93 LYS HB3 H 1 1.789 0.020 . 2 . . . . . 93 LYS HB3 . 26749 1 1022 . 1 . 1 93 93 LYS HD2 H 1 1.689 0.020 . 1 . . . . . 93 LYS HD2 . 26749 1 1023 . 1 . 1 93 93 LYS HG2 H 1 1.413 0.020 . 2 . . . . . 93 LYS HG2 . 26749 1 1024 . 1 . 1 93 93 LYS HG3 H 1 1.472 0.020 . 2 . . . . . 93 LYS HG3 . 26749 1 1025 . 1 . 1 93 93 LYS N N 15 121.129 0.200 . 1 . . . . . 93 LYS N . 26749 1 1026 . 1 . 1 94 94 LYS C C 13 176.246 0.200 . 1 . . . . . 94 LYS C . 26749 1 1027 . 1 . 1 94 94 LYS CA C 13 56.351 0.200 . 1 . . . . . 94 LYS CA . 26749 1 1028 . 1 . 1 94 94 LYS CB C 13 33.144 0.200 . 1 . . . . . 94 LYS CB . 26749 1 1029 . 1 . 1 94 94 LYS CG C 13 24.973 0.200 . 1 . . . . . 94 LYS CG . 26749 1 1030 . 1 . 1 94 94 LYS H H 1 8.427 0.020 . 1 . . . . . 94 LYS H . 26749 1 1031 . 1 . 1 94 94 LYS HA H 1 4.304 0.020 . 1 . . . . . 94 LYS HA . 26749 1 1032 . 1 . 1 94 94 LYS HB2 H 1 1.717 0.020 . 2 . . . . . 94 LYS HB2 . 26749 1 1033 . 1 . 1 94 94 LYS HB3 H 1 1.760 0.020 . 2 . . . . . 94 LYS HB3 . 26749 1 1034 . 1 . 1 94 94 LYS HD2 H 1 1.670 0.020 . 1 . . . . . 94 LYS HD2 . 26749 1 1035 . 1 . 1 94 94 LYS HG2 H 1 1.438 0.020 . 1 . . . . . 94 LYS HG2 . 26749 1 1036 . 1 . 1 94 94 LYS HG3 H 1 1.438 0.020 . 1 . . . . . 94 LYS HG3 . 26749 1 1037 . 1 . 1 94 94 LYS N N 15 123.495 0.200 . 1 . . . . . 94 LYS N . 26749 1 1038 . 1 . 1 95 95 ILE C C 13 175.995 0.200 . 1 . . . . . 95 ILE C . 26749 1 1039 . 1 . 1 95 95 ILE CA C 13 60.932 0.200 . 1 . . . . . 95 ILE CA . 26749 1 1040 . 1 . 1 95 95 ILE CB C 13 38.509 0.200 . 1 . . . . . 95 ILE CB . 26749 1 1041 . 1 . 1 95 95 ILE CD1 C 13 12.733 0.200 . 1 . . . . . 95 ILE CD1 . 26749 1 1042 . 1 . 1 95 95 ILE CG1 C 13 27.291 0.200 . 1 . . . . . 95 ILE CG1 . 26749 1 1043 . 1 . 1 95 95 ILE CG2 C 13 17.463 0.200 . 1 . . . . . 95 ILE CG2 . 26749 1 1044 . 1 . 1 95 95 ILE H H 1 8.373 0.020 . 1 . . . . . 95 ILE H . 26749 1 1045 . 1 . 1 95 95 ILE HA H 1 4.122 0.020 . 1 . . . . . 95 ILE HA . 26749 1 1046 . 1 . 1 95 95 ILE HB H 1 1.808 0.020 . 1 . . . . . 95 ILE HB . 26749 1 1047 . 1 . 1 95 95 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 95 ILE HD11 . 26749 1 1048 . 1 . 1 95 95 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 95 ILE HD12 . 26749 1 1049 . 1 . 1 95 95 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 95 ILE HD13 . 26749 1 1050 . 1 . 1 95 95 ILE HG12 H 1 1.478 0.020 . 2 . . . . . 95 ILE HG12 . 26749 1 1051 . 1 . 1 95 95 ILE HG13 H 1 1.157 0.020 . 2 . . . . . 95 ILE HG13 . 26749 1 1052 . 1 . 1 95 95 ILE HG21 H 1 0.866 0.020 . 1 . . . . . 95 ILE HG21 . 26749 1 1053 . 1 . 1 95 95 ILE HG22 H 1 0.866 0.020 . 1 . . . . . 95 ILE HG22 . 26749 1 1054 . 1 . 1 95 95 ILE HG23 H 1 0.866 0.020 . 1 . . . . . 95 ILE HG23 . 26749 1 1055 . 1 . 1 95 95 ILE N N 15 123.732 0.200 . 1 . . . . . 95 ILE N . 26749 1 1056 . 1 . 1 96 96 LEU C C 13 176.641 0.200 . 1 . . . . . 96 LEU C . 26749 1 1057 . 1 . 1 96 96 LEU CA C 13 54.918 0.200 . 1 . . . . . 96 LEU CA . 26749 1 1058 . 1 . 1 96 96 LEU CB C 13 42.684 0.200 . 1 . . . . . 96 LEU CB . 26749 1 1059 . 1 . 1 96 96 LEU CD1 C 13 23.532 0.200 . 2 . . . . . 96 LEU CD1 . 26749 1 1060 . 1 . 1 96 96 LEU CD2 C 13 24.763 0.200 . 2 . . . . . 96 LEU CD2 . 26749 1 1061 . 1 . 1 96 96 LEU CG C 13 27.109 0.200 . 1 . . . . . 96 LEU CG . 26749 1 1062 . 1 . 1 96 96 LEU H H 1 8.449 0.020 . 1 . . . . . 96 LEU H . 26749 1 1063 . 1 . 1 96 96 LEU HA H 1 4.367 0.020 . 1 . . . . . 96 LEU HA . 26749 1 1064 . 1 . 1 96 96 LEU HB2 H 1 1.527 0.020 . 2 . . . . . 96 LEU HB2 . 26749 1 1065 . 1 . 1 96 96 LEU HB3 H 1 1.613 0.020 . 2 . . . . . 96 LEU HB3 . 26749 1 1066 . 1 . 1 96 96 LEU HD11 H 1 0.855 0.020 . 2 . . . . . 96 LEU HD11 . 26749 1 1067 . 1 . 1 96 96 LEU HD12 H 1 0.855 0.020 . 2 . . . . . 96 LEU HD12 . 26749 1 1068 . 1 . 1 96 96 LEU HD13 H 1 0.855 0.020 . 2 . . . . . 96 LEU HD13 . 26749 1 1069 . 1 . 1 96 96 LEU HD21 H 1 0.903 0.020 . 2 . . . . . 96 LEU HD21 . 26749 1 1070 . 1 . 1 96 96 LEU HD22 H 1 0.903 0.020 . 2 . . . . . 96 LEU HD22 . 26749 1 1071 . 1 . 1 96 96 LEU HD23 H 1 0.903 0.020 . 2 . . . . . 96 LEU HD23 . 26749 1 1072 . 1 . 1 96 96 LEU N N 15 127.039 0.200 . 1 . . . . . 96 LEU N . 26749 1 1073 . 1 . 1 97 97 ASP C C 13 174.830 0.200 . 1 . . . . . 97 ASP C . 26749 1 1074 . 1 . 1 97 97 ASP CA C 13 52.567 0.200 . 1 . . . . . 97 ASP CA . 26749 1 1075 . 1 . 1 97 97 ASP CB C 13 38.032 0.200 . 1 . . . . . 97 ASP CB . 26749 1 1076 . 1 . 1 97 97 ASP H H 1 8.579 0.020 . 1 . . . . . 97 ASP H . 26749 1 1077 . 1 . 1 97 97 ASP HA H 1 4.758 0.020 . 1 . . . . . 97 ASP HA . 26749 1 1078 . 1 . 1 97 97 ASP HB2 H 1 2.790 0.020 . 2 . . . . . 97 ASP HB2 . 26749 1 1079 . 1 . 1 97 97 ASP HB3 H 1 2.924 0.020 . 2 . . . . . 97 ASP HB3 . 26749 1 1080 . 1 . 1 97 97 ASP N N 15 120.886 0.200 . 1 . . . . . 97 ASP N . 26749 1 1081 . 1 . 1 98 98 ILE C C 13 176.076 0.200 . 1 . . . . . 98 ILE C . 26749 1 1082 . 1 . 1 98 98 ILE CA C 13 61.284 0.200 . 1 . . . . . 98 ILE CA . 26749 1 1083 . 1 . 1 98 98 ILE CB C 13 38.730 0.200 . 1 . . . . . 98 ILE CB . 26749 1 1084 . 1 . 1 98 98 ILE CD1 C 13 12.855 0.200 . 1 . . . . . 98 ILE CD1 . 26749 1 1085 . 1 . 1 98 98 ILE CG1 C 13 27.260 0.200 . 1 . . . . . 98 ILE CG1 . 26749 1 1086 . 1 . 1 98 98 ILE CG2 C 13 17.465 0.200 . 1 . . . . . 98 ILE CG2 . 26749 1 1087 . 1 . 1 98 98 ILE H H 1 8.171 0.020 . 1 . . . . . 98 ILE H . 26749 1 1088 . 1 . 1 98 98 ILE HA H 1 4.124 0.020 . 1 . . . . . 98 ILE HA . 26749 1 1089 . 1 . 1 98 98 ILE HB H 1 1.837 0.020 . 1 . . . . . 98 ILE HB . 26749 1 1090 . 1 . 1 98 98 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 98 ILE HD11 . 26749 1 1091 . 1 . 1 98 98 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 98 ILE HD12 . 26749 1 1092 . 1 . 1 98 98 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 98 ILE HD13 . 26749 1 1093 . 1 . 1 98 98 ILE HG12 H 1 1.436 0.020 . 2 . . . . . 98 ILE HG12 . 26749 1 1094 . 1 . 1 98 98 ILE HG13 H 1 1.144 0.020 . 2 . . . . . 98 ILE HG13 . 26749 1 1095 . 1 . 1 98 98 ILE HG21 H 1 0.870 0.020 . 1 . . . . . 98 ILE HG21 . 26749 1 1096 . 1 . 1 98 98 ILE HG22 H 1 0.870 0.020 . 1 . . . . . 98 ILE HG22 . 26749 1 1097 . 1 . 1 98 98 ILE HG23 H 1 0.870 0.020 . 1 . . . . . 98 ILE HG23 . 26749 1 1098 . 1 . 1 98 98 ILE N N 15 122.131 0.200 . 1 . . . . . 98 ILE N . 26749 1 1099 . 1 . 1 99 99 LYS C C 13 176.963 0.200 . 1 . . . . . 99 LYS C . 26749 1 1100 . 1 . 1 99 99 LYS CA C 13 56.651 0.200 . 1 . . . . . 99 LYS CA . 26749 1 1101 . 1 . 1 99 99 LYS CB C 13 32.989 0.200 . 1 . . . . . 99 LYS CB . 26749 1 1102 . 1 . 1 99 99 LYS CD C 13 29.130 0.200 . 1 . . . . . 99 LYS CD . 26749 1 1103 . 1 . 1 99 99 LYS CE C 13 42.265 0.200 . 1 . . . . . 99 LYS CE . 26749 1 1104 . 1 . 1 99 99 LYS CG C 13 24.970 0.200 . 1 . . . . . 99 LYS CG . 26749 1 1105 . 1 . 1 99 99 LYS H H 1 8.450 0.020 . 1 . . . . . 99 LYS H . 26749 1 1106 . 1 . 1 99 99 LYS HA H 1 4.264 0.020 . 1 . . . . . 99 LYS HA . 26749 1 1107 . 1 . 1 99 99 LYS HB2 H 1 1.739 0.020 . 2 . . . . . 99 LYS HB2 . 26749 1 1108 . 1 . 1 99 99 LYS HB3 H 1 1.757 0.020 . 2 . . . . . 99 LYS HB3 . 26749 1 1109 . 1 . 1 99 99 LYS HD2 H 1 1.560 0.020 . 2 . . . . . 99 LYS HD2 . 26749 1 1110 . 1 . 1 99 99 LYS HD3 H 1 1.607 0.020 . 2 . . . . . 99 LYS HD3 . 26749 1 1111 . 1 . 1 99 99 LYS HG2 H 1 1.302 0.020 . 2 . . . . . 99 LYS HG2 . 26749 1 1112 . 1 . 1 99 99 LYS HG3 H 1 1.389 0.020 . 2 . . . . . 99 LYS HG3 . 26749 1 1113 . 1 . 1 99 99 LYS N N 15 125.247 0.200 . 1 . . . . . 99 LYS N . 26749 1 1114 . 1 . 1 100 100 GLY C C 13 173.985 0.200 . 1 . . . . . 100 GLY C . 26749 1 1115 . 1 . 1 100 100 GLY CA C 13 45.289 0.200 . 1 . . . . . 100 GLY CA . 26749 1 1116 . 1 . 1 100 100 GLY H H 1 8.330 0.020 . 1 . . . . . 100 GLY H . 26749 1 1117 . 1 . 1 100 100 GLY HA2 H 1 3.958 0.020 . 2 . . . . . 100 GLY HA2 . 26749 1 1118 . 1 . 1 100 100 GLY HA3 H 1 4.007 0.020 . 2 . . . . . 100 GLY HA3 . 26749 1 1119 . 1 . 1 100 100 GLY N N 15 110.020 0.200 . 1 . . . . . 100 GLY N . 26749 1 1120 . 1 . 1 101 101 ILE C C 13 175.998 0.200 . 1 . . . . . 101 ILE C . 26749 1 1121 . 1 . 1 101 101 ILE CA C 13 61.484 0.200 . 1 . . . . . 101 ILE CA . 26749 1 1122 . 1 . 1 101 101 ILE CB C 13 38.918 0.200 . 1 . . . . . 101 ILE CB . 26749 1 1123 . 1 . 1 101 101 ILE CD1 C 13 12.875 0.200 . 1 . . . . . 101 ILE CD1 . 26749 1 1124 . 1 . 1 101 101 ILE CG1 C 13 27.660 0.200 . 1 . . . . . 101 ILE CG1 . 26749 1 1125 . 1 . 1 101 101 ILE CG2 C 13 17.044 0.200 . 1 . . . . . 101 ILE CG2 . 26749 1 1126 . 1 . 1 101 101 ILE H H 1 8.038 0.020 . 1 . . . . . 101 ILE H . 26749 1 1127 . 1 . 1 101 101 ILE HA H 1 4.102 0.020 . 1 . . . . . 101 ILE HA . 26749 1 1128 . 1 . 1 101 101 ILE HB H 1 1.755 0.020 . 1 . . . . . 101 ILE HB . 26749 1 1129 . 1 . 1 101 101 ILE HD11 H 1 0.846 0.020 . 1 . . . . . 101 ILE HD11 . 26749 1 1130 . 1 . 1 101 101 ILE HD12 H 1 0.846 0.020 . 1 . . . . . 101 ILE HD12 . 26749 1 1131 . 1 . 1 101 101 ILE HD13 H 1 0.846 0.020 . 1 . . . . . 101 ILE HD13 . 26749 1 1132 . 1 . 1 101 101 ILE HG12 H 1 1.132 0.020 . 2 . . . . . 101 ILE HG12 . 26749 1 1133 . 1 . 1 101 101 ILE HG13 H 1 1.429 0.020 . 2 . . . . . 101 ILE HG13 . 26749 1 1134 . 1 . 1 101 101 ILE HG21 H 1 0.738 0.020 . 1 . . . . . 101 ILE HG21 . 26749 1 1135 . 1 . 1 101 101 ILE HG22 H 1 0.738 0.020 . 1 . . . . . 101 ILE HG22 . 26749 1 1136 . 1 . 1 101 101 ILE HG23 H 1 0.738 0.020 . 1 . . . . . 101 ILE HG23 . 26749 1 1137 . 1 . 1 101 101 ILE N N 15 119.990 0.200 . 1 . . . . . 101 ILE N . 26749 1 1138 . 1 . 1 102 102 ASP C C 13 175.393 0.200 . 1 . . . . . 102 ASP C . 26749 1 1139 . 1 . 1 102 102 ASP CA C 13 52.841 0.200 . 1 . . . . . 102 ASP CA . 26749 1 1140 . 1 . 1 102 102 ASP CB C 13 37.474 0.200 . 1 . . . . . 102 ASP CB . 26749 1 1141 . 1 . 1 102 102 ASP H H 1 8.576 0.020 . 1 . . . . . 102 ASP H . 26749 1 1142 . 1 . 1 102 102 ASP HA H 1 4.533 0.020 . 1 . . . . . 102 ASP HA . 26749 1 1143 . 1 . 1 102 102 ASP HB2 H 1 2.648 0.020 . 2 . . . . . 102 ASP HB2 . 26749 1 1144 . 1 . 1 102 102 ASP HB3 H 1 2.709 0.020 . 2 . . . . . 102 ASP HB3 . 26749 1 1145 . 1 . 1 102 102 ASP N N 15 122.284 0.200 . 1 . . . . . 102 ASP N . 26749 1 1146 . 1 . 1 103 103 TYR C C 13 175.959 0.200 . 1 . . . . . 103 TYR C . 26749 1 1147 . 1 . 1 103 103 TYR CA C 13 59.542 0.200 . 1 . . . . . 103 TYR CA . 26749 1 1148 . 1 . 1 103 103 TYR CB C 13 38.495 0.200 . 1 . . . . . 103 TYR CB . 26749 1 1149 . 1 . 1 103 103 TYR H H 1 8.068 0.020 . 1 . . . . . 103 TYR H . 26749 1 1150 . 1 . 1 103 103 TYR HA H 1 4.286 0.020 . 1 . . . . . 103 TYR HA . 26749 1 1151 . 1 . 1 103 103 TYR HB2 H 1 2.852 0.020 . 2 . . . . . 103 TYR HB2 . 26749 1 1152 . 1 . 1 103 103 TYR HB3 H 1 2.894 0.020 . 2 . . . . . 103 TYR HB3 . 26749 1 1153 . 1 . 1 103 103 TYR N N 15 122.117 0.200 . 1 . . . . . 103 TYR N . 26749 1 1154 . 1 . 1 104 104 TRP C C 13 176.248 0.200 . 1 . . . . . 104 TRP C . 26749 1 1155 . 1 . 1 104 104 TRP CA C 13 58.031 0.200 . 1 . . . . . 104 TRP CA . 26749 1 1156 . 1 . 1 104 104 TRP CB C 13 29.126 0.200 . 1 . . . . . 104 TRP CB . 26749 1 1157 . 1 . 1 104 104 TRP H H 1 7.859 0.020 . 1 . . . . . 104 TRP H . 26749 1 1158 . 1 . 1 104 104 TRP HA H 1 4.562 0.020 . 1 . . . . . 104 TRP HA . 26749 1 1159 . 1 . 1 104 104 TRP HB2 H 1 3.236 0.020 . 2 . . . . . 104 TRP HB2 . 26749 1 1160 . 1 . 1 104 104 TRP HB3 H 1 3.286 0.020 . 2 . . . . . 104 TRP HB3 . 26749 1 1161 . 1 . 1 104 104 TRP N N 15 120.841 0.200 . 1 . . . . . 104 TRP N . 26749 1 1162 . 1 . 1 105 105 LEU C C 13 176.958 0.200 . 1 . . . . . 105 LEU C . 26749 1 1163 . 1 . 1 105 105 LEU CA C 13 55.282 0.200 . 1 . . . . . 105 LEU CA . 26749 1 1164 . 1 . 1 105 105 LEU CB C 13 42.417 0.200 . 1 . . . . . 105 LEU CB . 26749 1 1165 . 1 . 1 105 105 LEU CD1 C 13 23.390 0.200 . 2 . . . . . 105 LEU CD1 . 26749 1 1166 . 1 . 1 105 105 LEU CD2 C 13 24.990 0.200 . 2 . . . . . 105 LEU CD2 . 26749 1 1167 . 1 . 1 105 105 LEU CG C 13 26.673 0.200 . 1 . . . . . 105 LEU CG . 26749 1 1168 . 1 . 1 105 105 LEU H H 1 7.744 0.020 . 1 . . . . . 105 LEU H . 26749 1 1169 . 1 . 1 105 105 LEU HA H 1 4.212 0.020 . 1 . . . . . 105 LEU HA . 26749 1 1170 . 1 . 1 105 105 LEU HB2 H 1 1.482 0.020 . 2 . . . . . 105 LEU HB2 . 26749 1 1171 . 1 . 1 105 105 LEU HB3 H 1 1.518 0.020 . 2 . . . . . 105 LEU HB3 . 26749 1 1172 . 1 . 1 105 105 LEU HD11 H 1 0.866 0.020 . 2 . . . . . 105 LEU HD11 . 26749 1 1173 . 1 . 1 105 105 LEU HD12 H 1 0.866 0.020 . 2 . . . . . 105 LEU HD12 . 26749 1 1174 . 1 . 1 105 105 LEU HD13 H 1 0.866 0.020 . 2 . . . . . 105 LEU HD13 . 26749 1 1175 . 1 . 1 105 105 LEU HD21 H 1 0.891 0.020 . 2 . . . . . 105 LEU HD21 . 26749 1 1176 . 1 . 1 105 105 LEU HD22 H 1 0.891 0.020 . 2 . . . . . 105 LEU HD22 . 26749 1 1177 . 1 . 1 105 105 LEU HD23 H 1 0.891 0.020 . 2 . . . . . 105 LEU HD23 . 26749 1 1178 . 1 . 1 105 105 LEU N N 15 122.212 0.200 . 1 . . . . . 105 LEU N . 26749 1 1179 . 1 . 1 106 106 ALA C C 13 177.524 0.200 . 1 . . . . . 106 ALA C . 26749 1 1180 . 1 . 1 106 106 ALA CA C 13 52.581 0.200 . 1 . . . . . 106 ALA CA . 26749 1 1181 . 1 . 1 106 106 ALA CB C 13 19.050 0.200 . 1 . . . . . 106 ALA CB . 26749 1 1182 . 1 . 1 106 106 ALA H H 1 7.955 0.020 . 1 . . . . . 106 ALA H . 26749 1 1183 . 1 . 1 106 106 ALA HA H 1 4.161 0.020 . 1 . . . . . 106 ALA HA . 26749 1 1184 . 1 . 1 106 106 ALA HB1 H 1 1.301 0.020 . 1 . . . . . 106 ALA HB1 . 26749 1 1185 . 1 . 1 106 106 ALA HB2 H 1 1.301 0.020 . 1 . . . . . 106 ALA HB2 . 26749 1 1186 . 1 . 1 106 106 ALA HB3 H 1 1.301 0.020 . 1 . . . . . 106 ALA HB3 . 26749 1 1187 . 1 . 1 106 106 ALA N N 15 123.370 0.200 . 1 . . . . . 106 ALA N . 26749 1 1188 . 1 . 1 107 107 HIS C C 13 174.262 0.200 . 1 . . . . . 107 HIS C . 26749 1 1189 . 1 . 1 107 107 HIS CA C 13 55.461 0.200 . 1 . . . . . 107 HIS CA . 26749 1 1190 . 1 . 1 107 107 HIS CB C 13 28.763 0.200 . 1 . . . . . 107 HIS CB . 26749 1 1191 . 1 . 1 107 107 HIS H H 1 8.309 0.020 . 1 . . . . . 107 HIS H . 26749 1 1192 . 1 . 1 107 107 HIS HA H 1 4.629 0.020 . 1 . . . . . 107 HIS HA . 26749 1 1193 . 1 . 1 107 107 HIS HB2 H 1 3.015 0.020 . 2 . . . . . 107 HIS HB2 . 26749 1 1194 . 1 . 1 107 107 HIS HB3 H 1 3.228 0.020 . 2 . . . . . 107 HIS HB3 . 26749 1 1195 . 1 . 1 107 107 HIS N N 15 117.397 0.200 . 1 . . . . . 107 HIS N . 26749 1 1196 . 1 . 1 108 108 LYS C C 13 176.130 0.200 . 1 . . . . . 108 LYS C . 26749 1 1197 . 1 . 1 108 108 LYS CA C 13 56.525 0.200 . 1 . . . . . 108 LYS CA . 26749 1 1198 . 1 . 1 108 108 LYS CB C 13 33.275 0.200 . 1 . . . . . 108 LYS CB . 26749 1 1199 . 1 . 1 108 108 LYS CD C 13 29.247 0.200 . 1 . . . . . 108 LYS CD . 26749 1 1200 . 1 . 1 108 108 LYS CE C 13 42.232 0.200 . 1 . . . . . 108 LYS CE . 26749 1 1201 . 1 . 1 108 108 LYS CG C 13 24.836 0.200 . 1 . . . . . 108 LYS CG . 26749 1 1202 . 1 . 1 108 108 LYS H H 1 8.367 0.020 . 1 . . . . . 108 LYS H . 26749 1 1203 . 1 . 1 108 108 LYS HA H 1 4.262 0.020 . 1 . . . . . 108 LYS HA . 26749 1 1204 . 1 . 1 108 108 LYS HB2 H 1 1.696 0.020 . 2 . . . . . 108 LYS HB2 . 26749 1 1205 . 1 . 1 108 108 LYS HB3 H 1 1.766 0.020 . 2 . . . . . 108 LYS HB3 . 26749 1 1206 . 1 . 1 108 108 LYS HE2 H 1 2.957 0.020 . 1 . . . . . 108 LYS HE2 . 26749 1 1207 . 1 . 1 108 108 LYS HE3 H 1 2.957 0.020 . 1 . . . . . 108 LYS HE3 . 26749 1 1208 . 1 . 1 108 108 LYS HG2 H 1 1.390 0.020 . 1 . . . . . 108 LYS HG2 . 26749 1 1209 . 1 . 1 108 108 LYS HG3 H 1 1.390 0.020 . 1 . . . . . 108 LYS HG3 . 26749 1 1210 . 1 . 1 108 108 LYS N N 15 123.106 0.200 . 1 . . . . . 108 LYS N . 26749 1 1211 . 1 . 1 109 109 ALA C C 13 177.616 0.200 . 1 . . . . . 109 ALA C . 26749 1 1212 . 1 . 1 109 109 ALA CA C 13 52.383 0.200 . 1 . . . . . 109 ALA CA . 26749 1 1213 . 1 . 1 109 109 ALA CB C 13 19.182 0.200 . 1 . . . . . 109 ALA CB . 26749 1 1214 . 1 . 1 109 109 ALA H H 1 8.439 0.020 . 1 . . . . . 109 ALA H . 26749 1 1215 . 1 . 1 109 109 ALA HA H 1 4.286 0.020 . 1 . . . . . 109 ALA HA . 26749 1 1216 . 1 . 1 109 109 ALA HB1 H 1 1.380 0.020 . 1 . . . . . 109 ALA HB1 . 26749 1 1217 . 1 . 1 109 109 ALA HB2 H 1 1.380 0.020 . 1 . . . . . 109 ALA HB2 . 26749 1 1218 . 1 . 1 109 109 ALA HB3 H 1 1.380 0.020 . 1 . . . . . 109 ALA HB3 . 26749 1 1219 . 1 . 1 109 109 ALA N N 15 125.863 0.200 . 1 . . . . . 109 ALA N . 26749 1 1220 . 1 . 1 110 110 LEU C C 13 177.353 0.200 . 1 . . . . . 110 LEU C . 26749 1 1221 . 1 . 1 110 110 LEU CA C 13 55.152 0.200 . 1 . . . . . 110 LEU CA . 26749 1 1222 . 1 . 1 110 110 LEU CB C 13 42.580 0.200 . 1 . . . . . 110 LEU CB . 26749 1 1223 . 1 . 1 110 110 LEU CD1 C 13 23.492 0.200 . 2 . . . . . 110 LEU CD1 . 26749 1 1224 . 1 . 1 110 110 LEU CD2 C 13 24.955 0.200 . 2 . . . . . 110 LEU CD2 . 26749 1 1225 . 1 . 1 110 110 LEU CG C 13 26.974 0.200 . 1 . . . . . 110 LEU CG . 26749 1 1226 . 1 . 1 110 110 LEU H H 1 8.271 0.020 . 1 . . . . . 110 LEU H . 26749 1 1227 . 1 . 1 110 110 LEU HA H 1 4.316 0.020 . 1 . . . . . 110 LEU HA . 26749 1 1228 . 1 . 1 110 110 LEU HB2 H 1 1.574 0.020 . 2 . . . . . 110 LEU HB2 . 26749 1 1229 . 1 . 1 110 110 LEU HB3 H 1 1.621 0.020 . 2 . . . . . 110 LEU HB3 . 26749 1 1230 . 1 . 1 110 110 LEU HD11 H 1 0.883 0.020 . 2 . . . . . 110 LEU HD11 . 26749 1 1231 . 1 . 1 110 110 LEU HD12 H 1 0.883 0.020 . 2 . . . . . 110 LEU HD12 . 26749 1 1232 . 1 . 1 110 110 LEU HD13 H 1 0.883 0.020 . 2 . . . . . 110 LEU HD13 . 26749 1 1233 . 1 . 1 110 110 LEU HD21 H 1 0.905 0.020 . 2 . . . . . 110 LEU HD21 . 26749 1 1234 . 1 . 1 110 110 LEU HD22 H 1 0.905 0.020 . 2 . . . . . 110 LEU HD22 . 26749 1 1235 . 1 . 1 110 110 LEU HD23 H 1 0.905 0.020 . 2 . . . . . 110 LEU HD23 . 26749 1 1236 . 1 . 1 110 110 LEU N N 15 122.149 0.200 . 1 . . . . . 110 LEU N . 26749 1 1237 . 1 . 1 111 111 ALA C C 13 177.975 0.200 . 1 . . . . . 111 ALA C . 26749 1 1238 . 1 . 1 111 111 ALA CA C 13 52.652 0.200 . 1 . . . . . 111 ALA CA . 26749 1 1239 . 1 . 1 111 111 ALA CB C 13 19.169 0.200 . 1 . . . . . 111 ALA CB . 26749 1 1240 . 1 . 1 111 111 ALA H H 1 8.426 0.020 . 1 . . . . . 111 ALA H . 26749 1 1241 . 1 . 1 111 111 ALA HA H 1 4.350 0.020 . 1 . . . . . 111 ALA HA . 26749 1 1242 . 1 . 1 111 111 ALA HB1 H 1 1.415 0.020 . 1 . . . . . 111 ALA HB1 . 26749 1 1243 . 1 . 1 111 111 ALA HB2 H 1 1.415 0.020 . 1 . . . . . 111 ALA HB2 . 26749 1 1244 . 1 . 1 111 111 ALA HB3 H 1 1.415 0.020 . 1 . . . . . 111 ALA HB3 . 26749 1 1245 . 1 . 1 111 111 ALA N N 15 124.932 0.200 . 1 . . . . . 111 ALA N . 26749 1 1246 . 1 . 1 112 112 THR C C 13 174.678 0.200 . 1 . . . . . 112 THR C . 26749 1 1247 . 1 . 1 112 112 THR CA C 13 62.062 0.200 . 1 . . . . . 112 THR CA . 26749 1 1248 . 1 . 1 112 112 THR CB C 13 69.637 0.200 . 1 . . . . . 112 THR CB . 26749 1 1249 . 1 . 1 112 112 THR CG2 C 13 21.653 0.200 . 1 . . . . . 112 THR CG2 . 26749 1 1250 . 1 . 1 112 112 THR H H 1 8.083 0.020 . 1 . . . . . 112 THR H . 26749 1 1251 . 1 . 1 112 112 THR HA H 1 4.290 0.020 . 1 . . . . . 112 THR HA . 26749 1 1252 . 1 . 1 112 112 THR HB H 1 4.238 0.020 . 1 . . . . . 112 THR HB . 26749 1 1253 . 1 . 1 112 112 THR HG21 H 1 1.217 0.020 . 1 . . . . . 112 THR HG21 . 26749 1 1254 . 1 . 1 112 112 THR HG22 H 1 1.217 0.020 . 1 . . . . . 112 THR HG22 . 26749 1 1255 . 1 . 1 112 112 THR HG23 H 1 1.217 0.020 . 1 . . . . . 112 THR HG23 . 26749 1 1256 . 1 . 1 112 112 THR N N 15 112.956 0.200 . 1 . . . . . 112 THR N . 26749 1 1257 . 1 . 1 113 113 GLU C C 13 175.981 0.200 . 1 . . . . . 113 GLU C . 26749 1 1258 . 1 . 1 113 113 GLU CA C 13 56.148 0.200 . 1 . . . . . 113 GLU CA . 26749 1 1259 . 1 . 1 113 113 GLU CB C 13 28.879 0.200 . 1 . . . . . 113 GLU CB . 26749 1 1260 . 1 . 1 113 113 GLU CG C 13 32.724 0.200 . 1 . . . . . 113 GLU CG . 26749 1 1261 . 1 . 1 113 113 GLU H H 1 8.336 0.020 . 1 . . . . . 113 GLU H . 26749 1 1262 . 1 . 1 113 113 GLU HA H 1 4.362 0.020 . 1 . . . . . 113 GLU HA . 26749 1 1263 . 1 . 1 113 113 GLU HB2 H 1 2.000 0.020 . 2 . . . . . 113 GLU HB2 . 26749 1 1264 . 1 . 1 113 113 GLU HB3 H 1 2.097 0.020 . 2 . . . . . 113 GLU HB3 . 26749 1 1265 . 1 . 1 113 113 GLU HG2 H 1 2.463 0.020 . 1 . . . . . 113 GLU HG2 . 26749 1 1266 . 1 . 1 113 113 GLU HG3 H 1 2.463 0.020 . 1 . . . . . 113 GLU HG3 . 26749 1 1267 . 1 . 1 113 113 GLU N N 15 122.519 0.200 . 1 . . . . . 113 GLU N . 26749 1 1268 . 1 . 1 114 114 LYS C C 13 176.546 0.200 . 1 . . . . . 114 LYS C . 26749 1 1269 . 1 . 1 114 114 LYS CA C 13 56.638 0.200 . 1 . . . . . 114 LYS CA . 26749 1 1270 . 1 . 1 114 114 LYS CB C 13 32.877 0.200 . 1 . . . . . 114 LYS CB . 26749 1 1271 . 1 . 1 114 114 LYS CD C 13 29.181 0.200 . 1 . . . . . 114 LYS CD . 26749 1 1272 . 1 . 1 114 114 LYS CE C 13 42.242 0.200 . 1 . . . . . 114 LYS CE . 26749 1 1273 . 1 . 1 114 114 LYS CG C 13 24.963 0.200 . 1 . . . . . 114 LYS CG . 26749 1 1274 . 1 . 1 114 114 LYS H H 1 8.419 0.020 . 1 . . . . . 114 LYS H . 26749 1 1275 . 1 . 1 114 114 LYS HA H 1 4.272 0.020 . 1 . . . . . 114 LYS HA . 26749 1 1276 . 1 . 1 114 114 LYS HB2 H 1 1.756 0.020 . 2 . . . . . 114 LYS HB2 . 26749 1 1277 . 1 . 1 114 114 LYS HB3 H 1 1.779 0.020 . 2 . . . . . 114 LYS HB3 . 26749 1 1278 . 1 . 1 114 114 LYS HD2 H 1 1.667 0.020 . 1 . . . . . 114 LYS HD2 . 26749 1 1279 . 1 . 1 114 114 LYS HD3 H 1 1.667 0.020 . 1 . . . . . 114 LYS HD3 . 26749 1 1280 . 1 . 1 114 114 LYS HE2 H 1 2.967 0.020 . 1 . . . . . 114 LYS HE2 . 26749 1 1281 . 1 . 1 114 114 LYS HE3 H 1 2.967 0.020 . 1 . . . . . 114 LYS HE3 . 26749 1 1282 . 1 . 1 114 114 LYS HG2 H 1 1.444 0.020 . 1 . . . . . 114 LYS HG2 . 26749 1 1283 . 1 . 1 114 114 LYS HG3 H 1 1.444 0.020 . 1 . . . . . 114 LYS HG3 . 26749 1 1284 . 1 . 1 114 114 LYS N N 15 122.882 0.200 . 1 . . . . . 114 LYS N . 26749 1 1285 . 1 . 1 115 115 LEU C C 13 177.419 0.200 . 1 . . . . . 115 LEU C . 26749 1 1286 . 1 . 1 115 115 LEU CA C 13 55.475 0.200 . 1 . . . . . 115 LEU CA . 26749 1 1287 . 1 . 1 115 115 LEU CB C 13 42.305 0.200 . 1 . . . . . 115 LEU CB . 26749 1 1288 . 1 . 1 115 115 LEU CD1 C 13 24.636 0.200 . 2 . . . . . 115 LEU CD1 . 26749 1 1289 . 1 . 1 115 115 LEU CD2 C 13 23.885 0.200 . 2 . . . . . 115 LEU CD2 . 26749 1 1290 . 1 . 1 115 115 LEU CG C 13 26.979 0.200 . 1 . . . . . 115 LEU CG . 26749 1 1291 . 1 . 1 115 115 LEU H H 1 8.298 0.020 . 1 . . . . . 115 LEU H . 26749 1 1292 . 1 . 1 115 115 LEU HA H 1 4.316 0.020 . 1 . . . . . 115 LEU HA . 26749 1 1293 . 1 . 1 115 115 LEU HB2 H 1 1.576 0.020 . 2 . . . . . 115 LEU HB2 . 26749 1 1294 . 1 . 1 115 115 LEU HB3 H 1 1.596 0.020 . 2 . . . . . 115 LEU HB3 . 26749 1 1295 . 1 . 1 115 115 LEU HD11 H 1 0.866 0.020 . 2 . . . . . 115 LEU HD11 . 26749 1 1296 . 1 . 1 115 115 LEU HD12 H 1 0.866 0.020 . 2 . . . . . 115 LEU HD12 . 26749 1 1297 . 1 . 1 115 115 LEU HD13 H 1 0.866 0.020 . 2 . . . . . 115 LEU HD13 . 26749 1 1298 . 1 . 1 115 115 LEU HD21 H 1 0.904 0.020 . 2 . . . . . 115 LEU HD21 . 26749 1 1299 . 1 . 1 115 115 LEU HD22 H 1 0.904 0.020 . 2 . . . . . 115 LEU HD22 . 26749 1 1300 . 1 . 1 115 115 LEU HD23 H 1 0.904 0.020 . 2 . . . . . 115 LEU HD23 . 26749 1 1301 . 1 . 1 115 115 LEU N N 15 123.740 0.200 . 1 . . . . . 115 LEU N . 26749 1 1302 . 1 . 1 116 116 GLU C C 13 176.246 0.200 . 1 . . . . . 116 GLU C . 26749 1 1303 . 1 . 1 116 116 GLU CA C 13 56.059 0.200 . 1 . . . . . 116 GLU CA . 26749 1 1304 . 1 . 1 116 116 GLU CB C 13 28.467 0.200 . 1 . . . . . 116 GLU CB . 26749 1 1305 . 1 . 1 116 116 GLU CG C 13 32.708 0.200 . 1 . . . . . 116 GLU CG . 26749 1 1306 . 1 . 1 116 116 GLU H H 1 8.435 0.020 . 1 . . . . . 116 GLU H . 26749 1 1307 . 1 . 1 116 116 GLU HA H 1 4.222 0.020 . 1 . . . . . 116 GLU HA . 26749 1 1308 . 1 . 1 116 116 GLU HB2 H 1 1.858 0.020 . 2 . . . . . 116 GLU HB2 . 26749 1 1309 . 1 . 1 116 116 GLU HB3 H 1 1.876 0.020 . 2 . . . . . 116 GLU HB3 . 26749 1 1310 . 1 . 1 116 116 GLU HG2 H 1 2.388 0.020 . 2 . . . . . 116 GLU HG2 . 26749 1 1311 . 1 . 1 116 116 GLU HG3 H 1 2.440 0.020 . 2 . . . . . 116 GLU HG3 . 26749 1 1312 . 1 . 1 116 116 GLU N N 15 121.090 0.200 . 1 . . . . . 116 GLU N . 26749 1 1313 . 1 . 1 117 117 GLN C C 13 175.801 0.200 . 1 . . . . . 117 GLN C . 26749 1 1314 . 1 . 1 117 117 GLN CA C 13 56.587 0.200 . 1 . . . . . 117 GLN CA . 26749 1 1315 . 1 . 1 117 117 GLN CB C 13 29.394 0.200 . 1 . . . . . 117 GLN CB . 26749 1 1316 . 1 . 1 117 117 GLN CG C 13 33.791 0.200 . 1 . . . . . 117 GLN CG . 26749 1 1317 . 1 . 1 117 117 GLN H H 1 8.399 0.020 . 1 . . . . . 117 GLN H . 26749 1 1318 . 1 . 1 117 117 GLN HA H 1 4.215 0.020 . 1 . . . . . 117 GLN HA . 26749 1 1319 . 1 . 1 117 117 GLN HB2 H 1 1.958 0.020 . 2 . . . . . 117 GLN HB2 . 26749 1 1320 . 1 . 1 117 117 GLN HB3 H 1 1.979 0.020 . 2 . . . . . 117 GLN HB3 . 26749 1 1321 . 1 . 1 117 117 GLN HG2 H 1 2.275 0.020 . 1 . . . . . 117 GLN HG2 . 26749 1 1322 . 1 . 1 117 117 GLN HG3 H 1 2.275 0.020 . 1 . . . . . 117 GLN HG3 . 26749 1 1323 . 1 . 1 117 117 GLN N N 15 121.406 0.200 . 1 . . . . . 117 GLN N . 26749 1 1324 . 1 . 1 118 118 TRP C C 13 176.212 0.200 . 1 . . . . . 118 TRP C . 26749 1 1325 . 1 . 1 118 118 TRP CA C 13 57.800 0.200 . 1 . . . . . 118 TRP CA . 26749 1 1326 . 1 . 1 118 118 TRP CB C 13 29.337 0.200 . 1 . . . . . 118 TRP CB . 26749 1 1327 . 1 . 1 118 118 TRP H H 1 8.158 0.020 . 1 . . . . . 118 TRP H . 26749 1 1328 . 1 . 1 118 118 TRP HA H 1 4.626 0.020 . 1 . . . . . 118 TRP HA . 26749 1 1329 . 1 . 1 118 118 TRP HB2 H 1 3.262 0.020 . 2 . . . . . 118 TRP HB2 . 26749 1 1330 . 1 . 1 118 118 TRP HB3 H 1 3.302 0.020 . 2 . . . . . 118 TRP HB3 . 26749 1 1331 . 1 . 1 118 118 TRP N N 15 121.868 0.200 . 1 . . . . . 118 TRP N . 26749 1 1332 . 1 . 1 119 119 LEU C C 13 176.811 0.200 . 1 . . . . . 119 LEU C . 26749 1 1333 . 1 . 1 119 119 LEU CA C 13 55.105 0.200 . 1 . . . . . 119 LEU CA . 26749 1 1334 . 1 . 1 119 119 LEU CB C 13 42.540 0.200 . 1 . . . . . 119 LEU CB . 26749 1 1335 . 1 . 1 119 119 LEU CD1 C 13 23.421 0.200 . 2 . . . . . 119 LEU CD1 . 26749 1 1336 . 1 . 1 119 119 LEU CD2 C 13 24.933 0.200 . 2 . . . . . 119 LEU CD2 . 26749 1 1337 . 1 . 1 119 119 LEU CG C 13 26.744 0.200 . 1 . . . . . 119 LEU CG . 26749 1 1338 . 1 . 1 119 119 LEU H H 1 8.054 0.020 . 1 . . . . . 119 LEU H . 26749 1 1339 . 1 . 1 119 119 LEU HA H 1 4.211 0.020 . 1 . . . . . 119 LEU HA . 26749 1 1340 . 1 . 1 119 119 LEU HB2 H 1 1.474 0.020 . 2 . . . . . 119 LEU HB2 . 26749 1 1341 . 1 . 1 119 119 LEU HB3 H 1 1.516 0.020 . 2 . . . . . 119 LEU HB3 . 26749 1 1342 . 1 . 1 119 119 LEU HD11 H 1 0.831 0.020 . 2 . . . . . 119 LEU HD11 . 26749 1 1343 . 1 . 1 119 119 LEU HD12 H 1 0.831 0.020 . 2 . . . . . 119 LEU HD12 . 26749 1 1344 . 1 . 1 119 119 LEU HD13 H 1 0.831 0.020 . 2 . . . . . 119 LEU HD13 . 26749 1 1345 . 1 . 1 119 119 LEU HD21 H 1 0.853 0.020 . 2 . . . . . 119 LEU HD21 . 26749 1 1346 . 1 . 1 119 119 LEU HD22 H 1 0.853 0.020 . 2 . . . . . 119 LEU HD22 . 26749 1 1347 . 1 . 1 119 119 LEU HD23 H 1 0.853 0.020 . 2 . . . . . 119 LEU HD23 . 26749 1 1348 . 1 . 1 119 119 LEU N N 15 123.548 0.200 . 1 . . . . . 119 LEU N . 26749 1 1349 . 1 . 1 120 120 ALA C C 13 177.641 0.200 . 1 . . . . . 120 ALA C . 26749 1 1350 . 1 . 1 120 120 ALA CA C 13 52.525 0.200 . 1 . . . . . 120 ALA CA . 26749 1 1351 . 1 . 1 120 120 ALA CB C 13 19.017 0.200 . 1 . . . . . 120 ALA CB . 26749 1 1352 . 1 . 1 120 120 ALA H H 1 8.083 0.020 . 1 . . . . . 120 ALA H . 26749 1 1353 . 1 . 1 120 120 ALA HA H 1 4.162 0.020 . 1 . . . . . 120 ALA HA . 26749 1 1354 . 1 . 1 120 120 ALA HB1 H 1 1.364 0.020 . 1 . . . . . 120 ALA HB1 . 26749 1 1355 . 1 . 1 120 120 ALA HB2 H 1 1.364 0.020 . 1 . . . . . 120 ALA HB2 . 26749 1 1356 . 1 . 1 120 120 ALA HB3 H 1 1.364 0.020 . 1 . . . . . 120 ALA HB3 . 26749 1 1357 . 1 . 1 120 120 ALA N N 15 124.228 0.200 . 1 . . . . . 120 ALA N . 26749 1 1358 . 1 . 1 121 121 GLU C C 13 175.733 0.200 . 1 . . . . . 121 GLU C . 26749 1 1359 . 1 . 1 121 121 GLU CA C 13 56.175 0.200 . 1 . . . . . 121 GLU CA . 26749 1 1360 . 1 . 1 121 121 GLU CB C 13 28.928 0.200 . 1 . . . . . 121 GLU CB . 26749 1 1361 . 1 . 1 121 121 GLU CG C 13 32.645 0.200 . 1 . . . . . 121 GLU CG . 26749 1 1362 . 1 . 1 121 121 GLU H H 1 8.160 0.020 . 1 . . . . . 121 GLU H . 26749 1 1363 . 1 . 1 121 121 GLU HA H 1 4.260 0.020 . 1 . . . . . 121 GLU HA . 26749 1 1364 . 1 . 1 121 121 GLU HB2 H 1 1.948 0.020 . 2 . . . . . 121 GLU HB2 . 26749 1 1365 . 1 . 1 121 121 GLU HB3 H 1 2.065 0.020 . 2 . . . . . 121 GLU HB3 . 26749 1 1366 . 1 . 1 121 121 GLU HG2 H 1 2.462 0.020 . 1 . . . . . 121 GLU HG2 . 26749 1 1367 . 1 . 1 121 121 GLU HG3 H 1 2.462 0.020 . 1 . . . . . 121 GLU HG3 . 26749 1 1368 . 1 . 1 121 121 GLU N N 15 119.243 0.200 . 1 . . . . . 121 GLU N . 26749 1 1369 . 1 . 1 122 122 LYS C C 13 176.306 0.200 . 1 . . . . . 122 LYS C . 26749 1 1370 . 1 . 1 122 122 LYS CA C 13 56.300 0.200 . 1 . . . . . 122 LYS CA . 26749 1 1371 . 1 . 1 122 122 LYS CB C 13 32.925 0.200 . 1 . . . . . 122 LYS CB . 26749 1 1372 . 1 . 1 122 122 LYS CD C 13 29.178 0.200 . 1 . . . . . 122 LYS CD . 26749 1 1373 . 1 . 1 122 122 LYS CG C 13 24.698 0.200 . 1 . . . . . 122 LYS CG . 26749 1 1374 . 1 . 1 122 122 LYS H H 1 8.353 0.020 . 1 . . . . . 122 LYS H . 26749 1 1375 . 1 . 1 122 122 LYS HA H 1 4.286 0.020 . 1 . . . . . 122 LYS HA . 26749 1 1376 . 1 . 1 122 122 LYS HB2 H 1 1.727 0.020 . 2 . . . . . 122 LYS HB2 . 26749 1 1377 . 1 . 1 122 122 LYS HB3 H 1 1.811 0.020 . 2 . . . . . 122 LYS HB3 . 26749 1 1378 . 1 . 1 122 122 LYS HD2 H 1 1.628 0.020 . 1 . . . . . 122 LYS HD2 . 26749 1 1379 . 1 . 1 122 122 LYS HD3 H 1 1.628 0.020 . 1 . . . . . 122 LYS HD3 . 26749 1 1380 . 1 . 1 122 122 LYS HE2 H 1 2.949 0.020 . 1 . . . . . 122 LYS HE2 . 26749 1 1381 . 1 . 1 122 122 LYS HE3 H 1 2.949 0.020 . 1 . . . . . 122 LYS HE3 . 26749 1 1382 . 1 . 1 122 122 LYS HG2 H 1 1.399 0.020 . 1 . . . . . 122 LYS HG2 . 26749 1 1383 . 1 . 1 122 122 LYS HG3 H 1 1.399 0.020 . 1 . . . . . 122 LYS HG3 . 26749 1 1384 . 1 . 1 122 122 LYS N N 15 122.921 0.200 . 1 . . . . . 122 LYS N . 26749 1 1385 . 1 . 1 123 123 LEU C C 13 177.932 0.200 . 1 . . . . . 123 LEU C . 26749 1 1386 . 1 . 1 123 123 LEU CA C 13 53.968 0.200 . 1 . . . . . 123 LEU CA . 26749 1 1387 . 1 . 1 123 123 LEU CB C 13 41.602 0.200 . 1 . . . . . 123 LEU CB . 26749 1 1388 . 1 . 1 123 123 LEU CD1 C 13 23.117 0.200 . 2 . . . . . 123 LEU CD1 . 26749 1 1389 . 1 . 1 123 123 LEU CD2 C 13 24.578 0.200 . 2 . . . . . 123 LEU CD2 . 26749 1 1390 . 1 . 1 123 123 LEU H H 1 8.417 0.020 . 1 . . . . . 123 LEU H . 26749 1 1391 . 1 . 1 123 123 LEU HA H 1 4.411 0.020 . 1 . . . . . 123 LEU HA . 26749 1 1392 . 1 . 1 123 123 LEU HB2 H 1 1.651 0.020 . 1 . . . . . 123 LEU HB2 . 26749 1 1393 . 1 . 1 123 123 LEU HB3 H 1 1.651 0.020 . 1 . . . . . 123 LEU HB3 . 26749 1 1394 . 1 . 1 123 123 LEU HD11 H 1 0.869 0.020 . 2 . . . . . 123 LEU HD11 . 26749 1 1395 . 1 . 1 123 123 LEU HD12 H 1 0.869 0.020 . 2 . . . . . 123 LEU HD12 . 26749 1 1396 . 1 . 1 123 123 LEU HD13 H 1 0.869 0.020 . 2 . . . . . 123 LEU HD13 . 26749 1 1397 . 1 . 1 123 123 LEU HD21 H 1 0.933 0.020 . 2 . . . . . 123 LEU HD21 . 26749 1 1398 . 1 . 1 123 123 LEU HD22 H 1 0.933 0.020 . 2 . . . . . 123 LEU HD22 . 26749 1 1399 . 1 . 1 123 123 LEU HD23 H 1 0.933 0.020 . 2 . . . . . 123 LEU HD23 . 26749 1 1400 . 1 . 1 123 123 LEU N N 15 124.790 0.200 . 1 . . . . . 123 LEU N . 26749 1 stop_ save_