data_27439 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27439 _Entry.Title ; Sph15 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-30 _Entry.Accession_date 2018-03-30 _Entry.Last_release_date 2018-04-02 _Entry.Original_release_date 2018-04-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Rachel Coulthard . J. . . 27439 2 Karthik Rajasekar . V. . . 27439 3 Eva Hyde . I. . . 27439 4 Lorna Smith . J. . . 27439 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27439 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 27439 '15N chemical shifts' 105 27439 '1H chemical shifts' 598 27439 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-06-07 2018-03-30 update BMRB 'update entry citation' 27439 1 . . 2018-10-04 2018-03-30 original author 'original release' 27439 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27439 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-018-9853-0 _Citation.PubMed_ID 30284185 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N NMR assignments of self-incompatibility protein homologue 15 from Arabidopsis thaliana ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _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 67 _Citation.Page_last 70 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rachel Coulthard . J. . . 27439 1 2 Karthik Rajasekar . V. . . 27439 1 3 Eva Hyde . I. . . 27439 1 4 Lorna Smith . J. . . 27439 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27439 _Assembly.ID 1 _Assembly.Name Sph15 _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 13562.6 _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 Sph15 1 $Sph15 A . yes native no no . . . 27439 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sph15 _Entity.Sf_category entity _Entity.Sf_framecode Sph15 _Entity.Entry_ID 27439 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sph15 _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 ; AMGCKEIEIVIKNTLGPSRI LQYHCRSGNTNVGVQYLNFK GTRIIKFKDDGTERSRWNCL FRQGINMKFFTEVEAYRPDL KHPLCGKRYELSARMDAIYF KMDERPPQPLNKWRS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _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 1 ALA . 27439 1 2 2 MET . 27439 1 3 3 GLY . 27439 1 4 4 CYS . 27439 1 5 5 LYS . 27439 1 6 6 GLU . 27439 1 7 7 ILE . 27439 1 8 8 GLU . 27439 1 9 9 ILE . 27439 1 10 10 VAL . 27439 1 11 11 ILE . 27439 1 12 12 LYS . 27439 1 13 13 ASN . 27439 1 14 14 THR . 27439 1 15 15 LEU . 27439 1 16 16 GLY . 27439 1 17 17 PRO . 27439 1 18 18 SER . 27439 1 19 19 ARG . 27439 1 20 20 ILE . 27439 1 21 21 LEU . 27439 1 22 22 GLN . 27439 1 23 23 TYR . 27439 1 24 24 HIS . 27439 1 25 25 CYS . 27439 1 26 26 ARG . 27439 1 27 27 SER . 27439 1 28 28 GLY . 27439 1 29 29 ASN . 27439 1 30 30 THR . 27439 1 31 31 ASN . 27439 1 32 32 VAL . 27439 1 33 33 GLY . 27439 1 34 34 VAL . 27439 1 35 35 GLN . 27439 1 36 36 TYR . 27439 1 37 37 LEU . 27439 1 38 38 ASN . 27439 1 39 39 PHE . 27439 1 40 40 LYS . 27439 1 41 41 GLY . 27439 1 42 42 THR . 27439 1 43 43 ARG . 27439 1 44 44 ILE . 27439 1 45 45 ILE . 27439 1 46 46 LYS . 27439 1 47 47 PHE . 27439 1 48 48 LYS . 27439 1 49 49 ASP . 27439 1 50 50 ASP . 27439 1 51 51 GLY . 27439 1 52 52 THR . 27439 1 53 53 GLU . 27439 1 54 54 ARG . 27439 1 55 55 SER . 27439 1 56 56 ARG . 27439 1 57 57 TRP . 27439 1 58 58 ASN . 27439 1 59 59 CYS . 27439 1 60 60 LEU . 27439 1 61 61 PHE . 27439 1 62 62 ARG . 27439 1 63 63 GLN . 27439 1 64 64 GLY . 27439 1 65 65 ILE . 27439 1 66 66 ASN . 27439 1 67 67 MET . 27439 1 68 68 LYS . 27439 1 69 69 PHE . 27439 1 70 70 PHE . 27439 1 71 71 THR . 27439 1 72 72 GLU . 27439 1 73 73 VAL . 27439 1 74 74 GLU . 27439 1 75 75 ALA . 27439 1 76 76 TYR . 27439 1 77 77 ARG . 27439 1 78 78 PRO . 27439 1 79 79 ASP . 27439 1 80 80 LEU . 27439 1 81 81 LYS . 27439 1 82 82 HIS . 27439 1 83 83 PRO . 27439 1 84 84 LEU . 27439 1 85 85 CYS . 27439 1 86 86 GLY . 27439 1 87 87 LYS . 27439 1 88 88 ARG . 27439 1 89 89 TYR . 27439 1 90 90 GLU . 27439 1 91 91 LEU . 27439 1 92 92 SER . 27439 1 93 93 ALA . 27439 1 94 94 ARG . 27439 1 95 95 MET . 27439 1 96 96 ASP . 27439 1 97 97 ALA . 27439 1 98 98 ILE . 27439 1 99 99 TYR . 27439 1 100 100 PHE . 27439 1 101 101 LYS . 27439 1 102 102 MET . 27439 1 103 103 ASP . 27439 1 104 104 GLU . 27439 1 105 105 ARG . 27439 1 106 106 PRO . 27439 1 107 107 PRO . 27439 1 108 108 GLN . 27439 1 109 109 PRO . 27439 1 110 110 LEU . 27439 1 111 111 ASN . 27439 1 112 112 LYS . 27439 1 113 113 TRP . 27439 1 114 114 ARG . 27439 1 115 115 SER . 27439 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 . ALA 1 1 27439 1 . MET 2 2 27439 1 . GLY 3 3 27439 1 . CYS 4 4 27439 1 . LYS 5 5 27439 1 . GLU 6 6 27439 1 . ILE 7 7 27439 1 . GLU 8 8 27439 1 . ILE 9 9 27439 1 . VAL 10 10 27439 1 . ILE 11 11 27439 1 . LYS 12 12 27439 1 . ASN 13 13 27439 1 . THR 14 14 27439 1 . LEU 15 15 27439 1 . GLY 16 16 27439 1 . PRO 17 17 27439 1 . SER 18 18 27439 1 . ARG 19 19 27439 1 . ILE 20 20 27439 1 . LEU 21 21 27439 1 . GLN 22 22 27439 1 . TYR 23 23 27439 1 . HIS 24 24 27439 1 . CYS 25 25 27439 1 . ARG 26 26 27439 1 . SER 27 27 27439 1 . GLY 28 28 27439 1 . ASN 29 29 27439 1 . THR 30 30 27439 1 . ASN 31 31 27439 1 . VAL 32 32 27439 1 . GLY 33 33 27439 1 . VAL 34 34 27439 1 . GLN 35 35 27439 1 . TYR 36 36 27439 1 . LEU 37 37 27439 1 . ASN 38 38 27439 1 . PHE 39 39 27439 1 . LYS 40 40 27439 1 . GLY 41 41 27439 1 . THR 42 42 27439 1 . ARG 43 43 27439 1 . ILE 44 44 27439 1 . ILE 45 45 27439 1 . LYS 46 46 27439 1 . PHE 47 47 27439 1 . LYS 48 48 27439 1 . ASP 49 49 27439 1 . ASP 50 50 27439 1 . GLY 51 51 27439 1 . THR 52 52 27439 1 . GLU 53 53 27439 1 . ARG 54 54 27439 1 . SER 55 55 27439 1 . ARG 56 56 27439 1 . TRP 57 57 27439 1 . ASN 58 58 27439 1 . CYS 59 59 27439 1 . LEU 60 60 27439 1 . PHE 61 61 27439 1 . ARG 62 62 27439 1 . GLN 63 63 27439 1 . GLY 64 64 27439 1 . ILE 65 65 27439 1 . ASN 66 66 27439 1 . MET 67 67 27439 1 . LYS 68 68 27439 1 . PHE 69 69 27439 1 . PHE 70 70 27439 1 . THR 71 71 27439 1 . GLU 72 72 27439 1 . VAL 73 73 27439 1 . GLU 74 74 27439 1 . ALA 75 75 27439 1 . TYR 76 76 27439 1 . ARG 77 77 27439 1 . PRO 78 78 27439 1 . ASP 79 79 27439 1 . LEU 80 80 27439 1 . LYS 81 81 27439 1 . HIS 82 82 27439 1 . PRO 83 83 27439 1 . LEU 84 84 27439 1 . CYS 85 85 27439 1 . GLY 86 86 27439 1 . LYS 87 87 27439 1 . ARG 88 88 27439 1 . TYR 89 89 27439 1 . GLU 90 90 27439 1 . LEU 91 91 27439 1 . SER 92 92 27439 1 . ALA 93 93 27439 1 . ARG 94 94 27439 1 . MET 95 95 27439 1 . ASP 96 96 27439 1 . ALA 97 97 27439 1 . ILE 98 98 27439 1 . TYR 99 99 27439 1 . PHE 100 100 27439 1 . LYS 101 101 27439 1 . MET 102 102 27439 1 . ASP 103 103 27439 1 . GLU 104 104 27439 1 . ARG 105 105 27439 1 . PRO 106 106 27439 1 . PRO 107 107 27439 1 . GLN 108 108 27439 1 . PRO 109 109 27439 1 . LEU 110 110 27439 1 . ASN 111 111 27439 1 . LYS 112 112 27439 1 . TRP 113 113 27439 1 . ARG 114 114 27439 1 . SER 115 115 27439 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 27439 _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 $Sph15 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 27439 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 27439 _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 $Sph15 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET32b-SPH15 . . . 27439 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27439 _Sample.ID 1 _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 Sph15 '[U-99% 13C; U-99% 15N]' . . 1 $Sph15 . . 0.3 . . mM . . . . 27439 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27439 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27439 _Sample.ID 2 _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 Sph15 '[U-99% 13C; U-99% 15N]' . . 1 $Sph15 . . 1 . . mM . . . . 27439 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27439 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27439 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 27439 1 pH 5.2 . pH 27439 1 pressure 1 . atm 27439 1 temperature 298 . K 27439 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27439 _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' . . 27439 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27439 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 27439 _Software.ID 2 _Software.Type . _Software.Name CCPN _Software.Version V2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27439 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27439 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 27439 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 27439 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27439 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27439 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27439 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27439 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27439 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 27439 1 2 spectrometer_2 Varian INOVA . 800 . . . 27439 1 3 spectrometer_3 Bruker Avance . 600 . . . 27439 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 27439 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27439 1 2 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27439 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27439 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27439 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27439 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27439 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27439 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27439 1 9 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27439 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27439 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27439 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27439 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27439 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.77 external indirect 0.2514 . . . . . 27439 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . 27439 1 N 15 water protons . . . . ppm 4.77 external indirect 0.101329 . . . . . 27439 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27439 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 27439 1 2 '3D HN(COCA)CB' . . . 27439 1 3 '3D HNCO' . . . 27439 1 4 '3D HNCA' . . . 27439 1 5 '3D HCACO' . . . 27439 1 6 '3D HBHA(CO)NH' . . . 27439 1 7 '3D HCCH-COSY' . . . 27439 1 8 '3D HCCH-TOCSY' . . . 27439 1 9 '3D H(CCO)NH' . . . 27439 1 10 '3D 1H-15N TOCSY' . . . 27439 1 11 '3D 1H-15N NOESY' . . . 27439 1 12 '3D 1H-13C NOESY' . . . 27439 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA C C 13 173.805 0.000 . 1 . . . . . 1 ALA C . 27439 1 2 . 1 1 1 1 ALA CA C 13 51.590 0.138 . 1 . . . . . 1 ALA CA . 27439 1 3 . 1 1 1 1 ALA CB C 13 19.195 0.116 . 1 . . . . . 1 ALA CB . 27439 1 4 . 1 1 1 1 ALA HA H 1 4.066 0.009 . 1 . . . . . 1 ALA HA . 27439 1 5 . 1 1 1 1 ALA HB1 H 1 1.523 0.019 . 1 . . . . . 1 ALA HB1 . 27439 1 6 . 1 1 1 1 ALA HB2 H 1 1.523 0.019 . 1 . . . . . 1 ALA HB2 . 27439 1 7 . 1 1 1 1 ALA HB3 H 1 1.523 0.019 . 1 . . . . . 1 ALA HB3 . 27439 1 8 . 1 1 2 2 MET C C 13 176.550 0.000 . 1 . . . . . 2 MET C . 27439 1 9 . 1 1 2 2 MET CA C 13 55.741 0.083 . 1 . . . . . 2 MET CA . 27439 1 10 . 1 1 2 2 MET CB C 13 32.814 0.126 . 1 . . . . . 2 MET CB . 27439 1 11 . 1 1 2 2 MET CG C 13 31.749 0.000 . 1 . . . . . 2 MET CG . 27439 1 12 . 1 1 2 2 MET H H 1 8.701 0.009 . 1 . . . . . 2 MET H . 27439 1 13 . 1 1 2 2 MET HA H 1 4.449 0.000 . 1 . . . . . 2 MET HA . 27439 1 14 . 1 1 2 2 MET HB2 H 1 2.030 0.024 . 2 . . . . . 2 MET HB2 . 27439 1 15 . 1 1 2 2 MET HB3 H 1 2.066 0.000 . 2 . . . . . 2 MET HB3 . 27439 1 16 . 1 1 2 2 MET HG2 H 1 2.594 0.000 . 2 . . . . . 2 MET HG2 . 27439 1 17 . 1 1 2 2 MET HG3 H 1 2.559 0.000 . 2 . . . . . 2 MET HG3 . 27439 1 18 . 1 1 2 2 MET N N 15 120.269 0.084 . 1 . . . . . 2 MET N . 27439 1 19 . 1 1 3 3 GLY C C 13 172.789 0.000 . 1 . . . . . 3 GLY C . 27439 1 20 . 1 1 3 3 GLY CA C 13 45.251 0.083 . 1 . . . . . 3 GLY CA . 27439 1 21 . 1 1 3 3 GLY H H 1 8.470 0.013 . 1 . . . . . 3 GLY H . 27439 1 22 . 1 1 3 3 GLY HA2 H 1 3.891 0.012 . 2 . . . . . 3 GLY HA2 . 27439 1 23 . 1 1 3 3 GLY HA3 H 1 3.892 0.012 . 2 . . . . . 3 GLY HA3 . 27439 1 24 . 1 1 3 3 GLY N N 15 110.865 0.114 . 1 . . . . . 3 GLY N . 27439 1 25 . 1 1 4 4 CYS C C 13 173.767 0.000 . 1 . . . . . 4 CYS C . 27439 1 26 . 1 1 4 4 CYS CA C 13 54.331 0.091 . 1 . . . . . 4 CYS CA . 27439 1 27 . 1 1 4 4 CYS CB C 13 41.710 0.073 . 1 . . . . . 4 CYS CB . 27439 1 28 . 1 1 4 4 CYS H H 1 8.303 0.026 . 1 . . . . . 4 CYS H . 27439 1 29 . 1 1 4 4 CYS HA H 1 4.776 0.011 . 1 . . . . . 4 CYS HA . 27439 1 30 . 1 1 4 4 CYS HB2 H 1 2.962 0.020 . 2 . . . . . 4 CYS HB2 . 27439 1 31 . 1 1 4 4 CYS HB3 H 1 2.965 0.024 . 2 . . . . . 4 CYS HB3 . 27439 1 32 . 1 1 4 4 CYS N N 15 120.916 0.146 . 1 . . . . . 4 CYS N . 27439 1 33 . 1 1 5 5 LYS C C 13 176.961 0.000 . 1 . . . . . 5 LYS C . 27439 1 34 . 1 1 5 5 LYS CA C 13 57.346 0.150 . 1 . . . . . 5 LYS CA . 27439 1 35 . 1 1 5 5 LYS CB C 13 33.458 0.063 . 1 . . . . . 5 LYS CB . 27439 1 36 . 1 1 5 5 LYS CG C 13 25.275 0.042 . 1 . . . . . 5 LYS CG . 27439 1 37 . 1 1 5 5 LYS H H 1 8.688 0.016 . 1 . . . . . 5 LYS H . 27439 1 38 . 1 1 5 5 LYS HA H 1 4.088 0.014 . 1 . . . . . 5 LYS HA . 27439 1 39 . 1 1 5 5 LYS HB2 H 1 1.593 0.007 . 2 . . . . . 5 LYS HB2 . 27439 1 40 . 1 1 5 5 LYS HB3 H 1 1.712 0.015 . 2 . . . . . 5 LYS HB3 . 27439 1 41 . 1 1 5 5 LYS HG2 H 1 1.579 0.021 . 2 . . . . . 5 LYS HG2 . 27439 1 42 . 1 1 5 5 LYS HG3 H 1 1.581 0.020 . 2 . . . . . 5 LYS HG3 . 27439 1 43 . 1 1 5 5 LYS N N 15 130.087 0.119 . 1 . . . . . 5 LYS N . 27439 1 44 . 1 1 6 6 GLU CA C 13 58.496 0.105 . 1 . . . . . 6 GLU CA . 27439 1 45 . 1 1 6 6 GLU CB C 13 29.586 0.110 . 1 . . . . . 6 GLU CB . 27439 1 46 . 1 1 6 6 GLU H H 1 9.056 0.022 . 1 . . . . . 6 GLU H . 27439 1 47 . 1 1 6 6 GLU HA H 1 3.841 0.014 . 1 . . . . . 6 GLU HA . 27439 1 48 . 1 1 6 6 GLU HB2 H 1 1.690 0.020 . 1 . . . . . 6 GLU HB2 . 27439 1 49 . 1 1 6 6 GLU HB3 H 1 1.690 0.020 . 1 . . . . . 6 GLU HB3 . 27439 1 50 . 1 1 6 6 GLU HG2 H 1 2.132 0.013 . 1 . . . . . 6 GLU HG2 . 27439 1 51 . 1 1 6 6 GLU HG3 H 1 2.132 0.013 . 1 . . . . . 6 GLU HG3 . 27439 1 52 . 1 1 6 6 GLU N N 15 123.710 0.111 . 1 . . . . . 6 GLU N . 27439 1 53 . 1 1 7 7 ILE C C 13 174.478 0.000 . 1 . . . . . 7 ILE C . 27439 1 54 . 1 1 7 7 ILE CA C 13 58.406 0.097 . 1 . . . . . 7 ILE CA . 27439 1 55 . 1 1 7 7 ILE CB C 13 35.411 0.143 . 1 . . . . . 7 ILE CB . 27439 1 56 . 1 1 7 7 ILE CD1 C 13 10.832 0.083 . 1 . . . . . 7 ILE CD1 . 27439 1 57 . 1 1 7 7 ILE CG1 C 13 27.396 0.049 . 1 . . . . . 7 ILE CG1 . 27439 1 58 . 1 1 7 7 ILE CG2 C 13 18.710 0.053 . 1 . . . . . 7 ILE CG2 . 27439 1 59 . 1 1 7 7 ILE H H 1 8.286 0.009 . 1 . . . . . 7 ILE H . 27439 1 60 . 1 1 7 7 ILE HA H 1 3.948 0.013 . 1 . . . . . 7 ILE HA . 27439 1 61 . 1 1 7 7 ILE HB H 1 0.198 0.011 . 1 . . . . . 7 ILE HB . 27439 1 62 . 1 1 7 7 ILE HD11 H 1 0.595 0.009 . 1 . . . . . 7 ILE HD11 . 27439 1 63 . 1 1 7 7 ILE HD12 H 1 0.595 0.009 . 1 . . . . . 7 ILE HD12 . 27439 1 64 . 1 1 7 7 ILE HD13 H 1 0.595 0.009 . 1 . . . . . 7 ILE HD13 . 27439 1 65 . 1 1 7 7 ILE HG12 H 1 0.851 0.021 . 2 . . . . . 7 ILE HG12 . 27439 1 66 . 1 1 7 7 ILE HG13 H 1 1.165 0.011 . 2 . . . . . 7 ILE HG13 . 27439 1 67 . 1 1 7 7 ILE HG21 H 1 0.418 0.010 . 1 . . . . . 7 ILE HG21 . 27439 1 68 . 1 1 7 7 ILE HG22 H 1 0.418 0.010 . 1 . . . . . 7 ILE HG22 . 27439 1 69 . 1 1 7 7 ILE HG23 H 1 0.418 0.010 . 1 . . . . . 7 ILE HG23 . 27439 1 70 . 1 1 7 7 ILE N N 15 122.730 0.071 . 1 . . . . . 7 ILE N . 27439 1 71 . 1 1 8 8 GLU C C 13 175.070 0.000 . 1 . . . . . 8 GLU C . 27439 1 72 . 1 1 8 8 GLU CA C 13 53.972 0.082 . 1 . . . . . 8 GLU CA . 27439 1 73 . 1 1 8 8 GLU CB C 13 33.161 0.053 . 1 . . . . . 8 GLU CB . 27439 1 74 . 1 1 8 8 GLU CG C 13 36.537 0.016 . 1 . . . . . 8 GLU CG . 27439 1 75 . 1 1 8 8 GLU H H 1 7.905 0.018 . 1 . . . . . 8 GLU H . 27439 1 76 . 1 1 8 8 GLU HA H 1 4.998 0.009 . 1 . . . . . 8 GLU HA . 27439 1 77 . 1 1 8 8 GLU HB2 H 1 1.789 0.019 . 2 . . . . . 8 GLU HB2 . 27439 1 78 . 1 1 8 8 GLU HB3 H 1 1.607 0.013 . 2 . . . . . 8 GLU HB3 . 27439 1 79 . 1 1 8 8 GLU HG2 H 1 2.126 0.007 . 2 . . . . . 8 GLU HG2 . 27439 1 80 . 1 1 8 8 GLU HG3 H 1 2.143 0.020 . 2 . . . . . 8 GLU HG3 . 27439 1 81 . 1 1 8 8 GLU N N 15 121.868 0.098 . 1 . . . . . 8 GLU N . 27439 1 82 . 1 1 9 9 ILE C C 13 174.376 0.000 . 1 . . . . . 9 ILE C . 27439 1 83 . 1 1 9 9 ILE CA C 13 60.264 0.076 . 1 . . . . . 9 ILE CA . 27439 1 84 . 1 1 9 9 ILE CB C 13 39.734 0.107 . 1 . . . . . 9 ILE CB . 27439 1 85 . 1 1 9 9 ILE CD1 C 13 13.033 0.054 . 1 . . . . . 9 ILE CD1 . 27439 1 86 . 1 1 9 9 ILE CG1 C 13 26.949 0.065 . 1 . . . . . 9 ILE CG1 . 27439 1 87 . 1 1 9 9 ILE CG2 C 13 17.348 0.207 . 1 . . . . . 9 ILE CG2 . 27439 1 88 . 1 1 9 9 ILE H H 1 9.248 0.017 . 1 . . . . . 9 ILE H . 27439 1 89 . 1 1 9 9 ILE HA H 1 4.739 0.008 . 1 . . . . . 9 ILE HA . 27439 1 90 . 1 1 9 9 ILE HB H 1 1.501 0.017 . 1 . . . . . 9 ILE HB . 27439 1 91 . 1 1 9 9 ILE HD11 H 1 0.096 0.009 . 1 . . . . . 9 ILE HD11 . 27439 1 92 . 1 1 9 9 ILE HD12 H 1 0.096 0.009 . 1 . . . . . 9 ILE HD12 . 27439 1 93 . 1 1 9 9 ILE HD13 H 1 0.096 0.009 . 1 . . . . . 9 ILE HD13 . 27439 1 94 . 1 1 9 9 ILE HG12 H 1 0.752 0.038 . 2 . . . . . 9 ILE HG12 . 27439 1 95 . 1 1 9 9 ILE HG13 H 1 1.364 0.019 . 2 . . . . . 9 ILE HG13 . 27439 1 96 . 1 1 9 9 ILE HG21 H 1 0.726 0.022 . 1 . . . . . 9 ILE HG21 . 27439 1 97 . 1 1 9 9 ILE HG22 H 1 0.726 0.022 . 1 . . . . . 9 ILE HG22 . 27439 1 98 . 1 1 9 9 ILE HG23 H 1 0.726 0.022 . 1 . . . . . 9 ILE HG23 . 27439 1 99 . 1 1 9 9 ILE N N 15 123.544 0.065 . 1 . . . . . 9 ILE N . 27439 1 100 . 1 1 10 10 VAL C C 13 174.079 0.000 . 1 . . . . . 10 VAL C . 27439 1 101 . 1 1 10 10 VAL CA C 13 61.148 0.062 . 1 . . . . . 10 VAL CA . 27439 1 102 . 1 1 10 10 VAL CB C 13 33.204 0.057 . 1 . . . . . 10 VAL CB . 27439 1 103 . 1 1 10 10 VAL CG1 C 13 21.146 0.115 . 2 . . . . . 10 VAL CG1 . 27439 1 104 . 1 1 10 10 VAL CG2 C 13 21.045 0.116 . 2 . . . . . 10 VAL CG2 . 27439 1 105 . 1 1 10 10 VAL H H 1 9.256 0.023 . 1 . . . . . 10 VAL H . 27439 1 106 . 1 1 10 10 VAL HA H 1 4.571 0.013 . 1 . . . . . 10 VAL HA . 27439 1 107 . 1 1 10 10 VAL HB H 1 1.948 0.020 . 1 . . . . . 10 VAL HB . 27439 1 108 . 1 1 10 10 VAL HG11 H 1 0.766 0.022 . 2 . . . . . 10 VAL HG11 . 27439 1 109 . 1 1 10 10 VAL HG12 H 1 0.766 0.022 . 2 . . . . . 10 VAL HG12 . 27439 1 110 . 1 1 10 10 VAL HG13 H 1 0.766 0.022 . 2 . . . . . 10 VAL HG13 . 27439 1 111 . 1 1 10 10 VAL HG21 H 1 0.793 0.041 . 2 . . . . . 10 VAL HG21 . 27439 1 112 . 1 1 10 10 VAL HG22 H 1 0.793 0.041 . 2 . . . . . 10 VAL HG22 . 27439 1 113 . 1 1 10 10 VAL HG23 H 1 0.793 0.041 . 2 . . . . . 10 VAL HG23 . 27439 1 114 . 1 1 10 10 VAL N N 15 128.261 0.087 . 1 . . . . . 10 VAL N . 27439 1 115 . 1 1 11 11 ILE C C 13 175.118 0.000 . 1 . . . . . 11 ILE C . 27439 1 116 . 1 1 11 11 ILE CA C 13 58.945 0.054 . 1 . . . . . 11 ILE CA . 27439 1 117 . 1 1 11 11 ILE CB C 13 38.476 0.121 . 1 . . . . . 11 ILE CB . 27439 1 118 . 1 1 11 11 ILE CD1 C 13 12.813 0.049 . 1 . . . . . 11 ILE CD1 . 27439 1 119 . 1 1 11 11 ILE CG1 C 13 27.349 0.158 . 1 . . . . . 11 ILE CG1 . 27439 1 120 . 1 1 11 11 ILE CG2 C 13 17.656 0.028 . 1 . . . . . 11 ILE CG2 . 27439 1 121 . 1 1 11 11 ILE H H 1 9.202 0.013 . 1 . . . . . 11 ILE H . 27439 1 122 . 1 1 11 11 ILE HA H 1 4.835 0.012 . 1 . . . . . 11 ILE HA . 27439 1 123 . 1 1 11 11 ILE HB H 1 1.529 0.016 . 1 . . . . . 11 ILE HB . 27439 1 124 . 1 1 11 11 ILE HD11 H 1 0.763 0.018 . 1 . . . . . 11 ILE HD11 . 27439 1 125 . 1 1 11 11 ILE HD12 H 1 0.763 0.018 . 1 . . . . . 11 ILE HD12 . 27439 1 126 . 1 1 11 11 ILE HD13 H 1 0.763 0.018 . 1 . . . . . 11 ILE HD13 . 27439 1 127 . 1 1 11 11 ILE HG12 H 1 1.270 0.010 . 2 . . . . . 11 ILE HG12 . 27439 1 128 . 1 1 11 11 ILE HG13 H 1 1.262 0.010 . 2 . . . . . 11 ILE HG13 . 27439 1 129 . 1 1 11 11 ILE HG21 H 1 0.345 0.014 . 1 . . . . . 11 ILE HG21 . 27439 1 130 . 1 1 11 11 ILE HG22 H 1 0.345 0.014 . 1 . . . . . 11 ILE HG22 . 27439 1 131 . 1 1 11 11 ILE HG23 H 1 0.345 0.014 . 1 . . . . . 11 ILE HG23 . 27439 1 132 . 1 1 11 11 ILE N N 15 128.033 0.077 . 1 . . . . . 11 ILE N . 27439 1 133 . 1 1 12 12 LYS C C 13 175.387 0.000 . 1 . . . . . 12 LYS C . 27439 1 134 . 1 1 12 12 LYS CA C 13 54.570 0.134 . 1 . . . . . 12 LYS CA . 27439 1 135 . 1 1 12 12 LYS CB C 13 36.467 0.048 . 1 . . . . . 12 LYS CB . 27439 1 136 . 1 1 12 12 LYS CG C 13 24.991 0.000 . 1 . . . . . 12 LYS CG . 27439 1 137 . 1 1 12 12 LYS H H 1 8.588 0.021 . 1 . . . . . 12 LYS H . 27439 1 138 . 1 1 12 12 LYS HA H 1 5.194 0.007 . 1 . . . . . 12 LYS HA . 27439 1 139 . 1 1 12 12 LYS HB2 H 1 1.435 0.020 . 2 . . . . . 12 LYS HB2 . 27439 1 140 . 1 1 12 12 LYS HB3 H 1 1.635 0.018 . 2 . . . . . 12 LYS HB3 . 27439 1 141 . 1 1 12 12 LYS HG2 H 1 1.281 0.007 . 2 . . . . . 12 LYS HG2 . 27439 1 142 . 1 1 12 12 LYS HG3 H 1 1.175 0.001 . 2 . . . . . 12 LYS HG3 . 27439 1 143 . 1 1 12 12 LYS N N 15 123.492 0.071 . 1 . . . . . 12 LYS N . 27439 1 144 . 1 1 13 13 ASN C C 13 175.441 0.000 . 1 . . . . . 13 ASN C . 27439 1 145 . 1 1 13 13 ASN CA C 13 52.409 0.008 . 1 . . . . . 13 ASN CA . 27439 1 146 . 1 1 13 13 ASN CB C 13 38.719 0.040 . 1 . . . . . 13 ASN CB . 27439 1 147 . 1 1 13 13 ASN H H 1 7.811 0.011 . 1 . . . . . 13 ASN H . 27439 1 148 . 1 1 13 13 ASN HA H 1 4.853 0.012 . 1 . . . . . 13 ASN HA . 27439 1 149 . 1 1 13 13 ASN HB2 H 1 3.693 0.017 . 2 . . . . . 13 ASN HB2 . 27439 1 150 . 1 1 13 13 ASN HB3 H 1 2.359 0.023 . 2 . . . . . 13 ASN HB3 . 27439 1 151 . 1 1 13 13 ASN N N 15 119.788 0.069 . 1 . . . . . 13 ASN N . 27439 1 152 . 1 1 14 14 THR C C 13 175.346 0.000 . 1 . . . . . 14 THR C . 27439 1 153 . 1 1 14 14 THR CA C 13 59.689 0.120 . 1 . . . . . 14 THR CA . 27439 1 154 . 1 1 14 14 THR CB C 13 67.574 0.154 . 1 . . . . . 14 THR CB . 27439 1 155 . 1 1 14 14 THR CG2 C 13 22.520 0.091 . 1 . . . . . 14 THR CG2 . 27439 1 156 . 1 1 14 14 THR H H 1 8.139 0.019 . 1 . . . . . 14 THR H . 27439 1 157 . 1 1 14 14 THR HA H 1 4.810 0.040 . 1 . . . . . 14 THR HA . 27439 1 158 . 1 1 14 14 THR HB H 1 4.417 0.024 . 1 . . . . . 14 THR HB . 27439 1 159 . 1 1 14 14 THR HG21 H 1 1.115 0.006 . 1 . . . . . 14 THR HG21 . 27439 1 160 . 1 1 14 14 THR HG22 H 1 1.115 0.006 . 1 . . . . . 14 THR HG22 . 27439 1 161 . 1 1 14 14 THR HG23 H 1 1.115 0.006 . 1 . . . . . 14 THR HG23 . 27439 1 162 . 1 1 14 14 THR N N 15 120.946 0.098 . 1 . . . . . 14 THR N . 27439 1 163 . 1 1 15 15 LEU C C 13 175.662 0.000 . 1 . . . . . 15 LEU C . 27439 1 164 . 1 1 15 15 LEU CA C 13 58.200 0.117 . 1 . . . . . 15 LEU CA . 27439 1 165 . 1 1 15 15 LEU CB C 13 42.883 0.096 . 1 . . . . . 15 LEU CB . 27439 1 166 . 1 1 15 15 LEU CD1 C 13 23.094 0.047 . 1 . . . . . 15 LEU CD1 . 27439 1 167 . 1 1 15 15 LEU CG C 13 27.021 0.060 . 1 . . . . . 15 LEU CG . 27439 1 168 . 1 1 15 15 LEU H H 1 9.078 0.015 . 1 . . . . . 15 LEU H . 27439 1 169 . 1 1 15 15 LEU HA H 1 3.842 0.018 . 1 . . . . . 15 LEU HA . 27439 1 170 . 1 1 15 15 LEU HB2 H 1 2.045 0.011 . 2 . . . . . 15 LEU HB2 . 27439 1 171 . 1 1 15 15 LEU HB3 H 1 1.170 0.010 . 2 . . . . . 15 LEU HB3 . 27439 1 172 . 1 1 15 15 LEU HD11 H 1 0.430 0.005 . 1 . . . . . 15 LEU HD11 . 27439 1 173 . 1 1 15 15 LEU HD12 H 1 0.430 0.005 . 1 . . . . . 15 LEU HD12 . 27439 1 174 . 1 1 15 15 LEU HD13 H 1 0.430 0.005 . 1 . . . . . 15 LEU HD13 . 27439 1 175 . 1 1 15 15 LEU HG H 1 0.715 0.010 . 1 . . . . . 15 LEU HG . 27439 1 176 . 1 1 15 15 LEU N N 15 121.684 0.050 . 1 . . . . . 15 LEU N . 27439 1 177 . 1 1 16 16 GLY CA C 13 43.332 0.000 . 1 . . . . . 16 GLY CA . 27439 1 178 . 1 1 16 16 GLY H H 1 6.231 0.015 . 1 . . . . . 16 GLY H . 27439 1 179 . 1 1 16 16 GLY HA2 H 1 2.967 0.015 . 2 . . . . . 16 GLY HA2 . 27439 1 180 . 1 1 16 16 GLY HA3 H 1 2.955 0.032 . 2 . . . . . 16 GLY HA3 . 27439 1 181 . 1 1 16 16 GLY N N 15 104.568 0.231 . 1 . . . . . 16 GLY N . 27439 1 182 . 1 1 17 17 PRO C C 13 177.313 0.000 . 1 . . . . . 17 PRO C . 27439 1 183 . 1 1 17 17 PRO CA C 13 63.661 0.059 . 1 . . . . . 17 PRO CA . 27439 1 184 . 1 1 17 17 PRO CB C 13 31.824 0.000 . 1 . . . . . 17 PRO CB . 27439 1 185 . 1 1 17 17 PRO HA H 1 3.818 0.012 . 1 . . . . . 17 PRO HA . 27439 1 186 . 1 1 17 17 PRO HB2 H 1 2.224 0.007 . 2 . . . . . 17 PRO HB2 . 27439 1 187 . 1 1 17 17 PRO HB3 H 1 1.795 0.018 . 2 . . . . . 17 PRO HB3 . 27439 1 188 . 1 1 18 18 SER C C 13 173.347 0.000 . 1 . . . . . 18 SER C . 27439 1 189 . 1 1 18 18 SER CA C 13 60.385 0.093 . 1 . . . . . 18 SER CA . 27439 1 190 . 1 1 18 18 SER CB C 13 62.700 0.011 . 1 . . . . . 18 SER CB . 27439 1 191 . 1 1 18 18 SER H H 1 8.747 0.010 . 1 . . . . . 18 SER H . 27439 1 192 . 1 1 18 18 SER HA H 1 4.081 0.014 . 1 . . . . . 18 SER HA . 27439 1 193 . 1 1 18 18 SER HB2 H 1 4.055 0.005 . 2 . . . . . 18 SER HB2 . 27439 1 194 . 1 1 18 18 SER HB3 H 1 4.057 0.005 . 2 . . . . . 18 SER HB3 . 27439 1 195 . 1 1 18 18 SER HG H 1 4.759 0.000 . 1 . . . . . 18 SER HG . 27439 1 196 . 1 1 18 18 SER N N 15 114.683 0.084 . 1 . . . . . 18 SER N . 27439 1 197 . 1 1 19 19 ARG C C 13 174.923 0.000 . 1 . . . . . 19 ARG C . 27439 1 198 . 1 1 19 19 ARG CA C 13 55.757 0.110 . 1 . . . . . 19 ARG CA . 27439 1 199 . 1 1 19 19 ARG CB C 13 30.432 0.144 . 1 . . . . . 19 ARG CB . 27439 1 200 . 1 1 19 19 ARG CD C 13 43.407 0.000 . 1 . . . . . 19 ARG CD . 27439 1 201 . 1 1 19 19 ARG CG C 13 27.530 0.000 . 1 . . . . . 19 ARG CG . 27439 1 202 . 1 1 19 19 ARG H H 1 7.672 0.010 . 1 . . . . . 19 ARG H . 27439 1 203 . 1 1 19 19 ARG HA H 1 4.417 0.014 . 1 . . . . . 19 ARG HA . 27439 1 204 . 1 1 19 19 ARG HB2 H 1 1.806 0.014 . 2 . . . . . 19 ARG HB2 . 27439 1 205 . 1 1 19 19 ARG HB3 H 1 1.598 0.022 . 2 . . . . . 19 ARG HB3 . 27439 1 206 . 1 1 19 19 ARG HD2 H 1 2.419 0.000 . 1 . . . . . 19 ARG HD2 . 27439 1 207 . 1 1 19 19 ARG HG2 H 1 1.286 0.020 . 2 . . . . . 19 ARG HG2 . 27439 1 208 . 1 1 19 19 ARG HG3 H 1 1.288 0.020 . 2 . . . . . 19 ARG HG3 . 27439 1 209 . 1 1 19 19 ARG N N 15 121.321 0.110 . 1 . . . . . 19 ARG N . 27439 1 210 . 1 1 20 20 ILE C C 13 173.762 0.000 . 1 . . . . . 20 ILE C . 27439 1 211 . 1 1 20 20 ILE CA C 13 60.881 0.060 . 1 . . . . . 20 ILE CA . 27439 1 212 . 1 1 20 20 ILE CB C 13 39.591 0.081 . 1 . . . . . 20 ILE CB . 27439 1 213 . 1 1 20 20 ILE CD1 C 13 12.939 0.153 . 1 . . . . . 20 ILE CD1 . 27439 1 214 . 1 1 20 20 ILE CG1 C 13 28.331 0.040 . 1 . . . . . 20 ILE CG1 . 27439 1 215 . 1 1 20 20 ILE CG2 C 13 18.301 0.077 . 1 . . . . . 20 ILE CG2 . 27439 1 216 . 1 1 20 20 ILE H H 1 7.992 0.011 . 1 . . . . . 20 ILE H . 27439 1 217 . 1 1 20 20 ILE HA H 1 4.175 0.007 . 1 . . . . . 20 ILE HA . 27439 1 218 . 1 1 20 20 ILE HB H 1 1.805 0.009 . 1 . . . . . 20 ILE HB . 27439 1 219 . 1 1 20 20 ILE HD11 H 1 0.816 0.021 . 1 . . . . . 20 ILE HD11 . 27439 1 220 . 1 1 20 20 ILE HD12 H 1 0.816 0.021 . 1 . . . . . 20 ILE HD12 . 27439 1 221 . 1 1 20 20 ILE HD13 H 1 0.816 0.021 . 1 . . . . . 20 ILE HD13 . 27439 1 222 . 1 1 20 20 ILE HG12 H 1 1.296 0.017 . 2 . . . . . 20 ILE HG12 . 27439 1 223 . 1 1 20 20 ILE HG13 H 1 1.566 0.029 . 2 . . . . . 20 ILE HG13 . 27439 1 224 . 1 1 20 20 ILE HG21 H 1 1.019 0.012 . 1 . . . . . 20 ILE HG21 . 27439 1 225 . 1 1 20 20 ILE HG22 H 1 1.019 0.012 . 1 . . . . . 20 ILE HG22 . 27439 1 226 . 1 1 20 20 ILE HG23 H 1 1.019 0.012 . 1 . . . . . 20 ILE HG23 . 27439 1 227 . 1 1 20 20 ILE N N 15 124.085 0.118 . 1 . . . . . 20 ILE N . 27439 1 228 . 1 1 21 21 LEU C C 13 174.901 0.000 . 1 . . . . . 21 LEU C . 27439 1 229 . 1 1 21 21 LEU CA C 13 52.816 0.074 . 1 . . . . . 21 LEU CA . 27439 1 230 . 1 1 21 21 LEU CB C 13 47.238 0.076 . 1 . . . . . 21 LEU CB . 27439 1 231 . 1 1 21 21 LEU CG C 13 26.641 0.158 . 1 . . . . . 21 LEU CG . 27439 1 232 . 1 1 21 21 LEU H H 1 8.335 0.015 . 1 . . . . . 21 LEU H . 27439 1 233 . 1 1 21 21 LEU HA H 1 5.100 0.030 . 1 . . . . . 21 LEU HA . 27439 1 234 . 1 1 21 21 LEU HB2 H 1 1.394 0.029 . 2 . . . . . 21 LEU HB2 . 27439 1 235 . 1 1 21 21 LEU HB3 H 1 2.197 0.020 . 2 . . . . . 21 LEU HB3 . 27439 1 236 . 1 1 21 21 LEU N N 15 125.284 0.094 . 1 . . . . . 21 LEU N . 27439 1 237 . 1 1 22 22 GLN CA C 13 54.235 0.023 . 1 . . . . . 22 GLN CA . 27439 1 238 . 1 1 22 22 GLN CB C 13 33.110 0.146 . 1 . . . . . 22 GLN CB . 27439 1 239 . 1 1 22 22 GLN CG C 13 35.397 0.000 . 1 . . . . . 22 GLN CG . 27439 1 240 . 1 1 22 22 GLN H H 1 9.279 0.015 . 1 . . . . . 22 GLN H . 27439 1 241 . 1 1 22 22 GLN HA H 1 5.073 0.010 . 1 . . . . . 22 GLN HA . 27439 1 242 . 1 1 22 22 GLN HB2 H 1 2.138 0.011 . 2 . . . . . 22 GLN HB2 . 27439 1 243 . 1 1 22 22 GLN HB3 H 1 2.141 0.010 . 2 . . . . . 22 GLN HB3 . 27439 1 244 . 1 1 22 22 GLN HG2 H 1 1.595 0.013 . 2 . . . . . 22 GLN HG2 . 27439 1 245 . 1 1 22 22 GLN HG3 H 1 1.820 0.023 . 2 . . . . . 22 GLN HG3 . 27439 1 246 . 1 1 22 22 GLN N N 15 128.979 0.094 . 1 . . . . . 22 GLN N . 27439 1 247 . 1 1 23 23 TYR C C 13 172.850 0.000 . 1 . . . . . 23 TYR C . 27439 1 248 . 1 1 23 23 TYR CA C 13 55.576 0.081 . 1 . . . . . 23 TYR CA . 27439 1 249 . 1 1 23 23 TYR CB C 13 42.790 0.118 . 1 . . . . . 23 TYR CB . 27439 1 250 . 1 1 23 23 TYR H H 1 9.176 0.016 . 1 . . . . . 23 TYR H . 27439 1 251 . 1 1 23 23 TYR HA H 1 5.722 0.013 . 1 . . . . . 23 TYR HA . 27439 1 252 . 1 1 23 23 TYR HB2 H 1 3.025 0.017 . 2 . . . . . 23 TYR HB2 . 27439 1 253 . 1 1 23 23 TYR HB3 H 1 2.472 0.014 . 2 . . . . . 23 TYR HB3 . 27439 1 254 . 1 1 23 23 TYR HD1 H 1 6.873 0.026 . 3 . . . . . 23 TYR HD1 . 27439 1 255 . 1 1 23 23 TYR HD2 H 1 6.873 0.026 . 3 . . . . . 23 TYR HD2 . 27439 1 256 . 1 1 23 23 TYR HE1 H 1 6.504 0.013 . 3 . . . . . 23 TYR HE1 . 27439 1 257 . 1 1 23 23 TYR HE2 H 1 6.504 0.013 . 3 . . . . . 23 TYR HE2 . 27439 1 258 . 1 1 23 23 TYR N N 15 123.541 0.061 . 1 . . . . . 23 TYR N . 27439 1 259 . 1 1 24 24 HIS C C 13 175.831 0.000 . 1 . . . . . 24 HIS C . 27439 1 260 . 1 1 24 24 HIS CA C 13 52.188 0.074 . 1 . . . . . 24 HIS CA . 27439 1 261 . 1 1 24 24 HIS CB C 13 32.432 0.138 . 1 . . . . . 24 HIS CB . 27439 1 262 . 1 1 24 24 HIS H H 1 8.991 0.019 . 1 . . . . . 24 HIS H . 27439 1 263 . 1 1 24 24 HIS HA H 1 5.261 0.010 . 1 . . . . . 24 HIS HA . 27439 1 264 . 1 1 24 24 HIS HB2 H 1 2.683 0.020 . 2 . . . . . 24 HIS HB2 . 27439 1 265 . 1 1 24 24 HIS HB3 H 1 3.265 0.041 . 2 . . . . . 24 HIS HB3 . 27439 1 266 . 1 1 24 24 HIS HD1 H 1 6.594 0.029 . 1 . . . . . 24 HIS HD1 . 27439 1 267 . 1 1 24 24 HIS HE1 H 1 7.671 0.002 . 1 . . . . . 24 HIS HE1 . 27439 1 268 . 1 1 24 24 HIS N N 15 122.720 0.125 . 1 . . . . . 24 HIS N . 27439 1 269 . 1 1 25 25 CYS C C 13 172.164 0.000 . 1 . . . . . 25 CYS C . 27439 1 270 . 1 1 25 25 CYS CA C 13 55.133 0.051 . 1 . . . . . 25 CYS CA . 27439 1 271 . 1 1 25 25 CYS CB C 13 46.205 0.098 . 1 . . . . . 25 CYS CB . 27439 1 272 . 1 1 25 25 CYS H H 1 9.907 0.025 . 1 . . . . . 25 CYS H . 27439 1 273 . 1 1 25 25 CYS HA H 1 5.976 0.008 . 1 . . . . . 25 CYS HA . 27439 1 274 . 1 1 25 25 CYS HB2 H 1 3.066 0.011 . 2 . . . . . 25 CYS HB2 . 27439 1 275 . 1 1 25 25 CYS HB3 H 1 3.309 0.019 . 2 . . . . . 25 CYS HB3 . 27439 1 276 . 1 1 25 25 CYS N N 15 128.066 0.158 . 1 . . . . . 25 CYS N . 27439 1 277 . 1 1 26 26 ARG C C 13 172.345 0.000 . 1 . . . . . 26 ARG C . 27439 1 278 . 1 1 26 26 ARG CA C 13 55.765 0.186 . 1 . . . . . 26 ARG CA . 27439 1 279 . 1 1 26 26 ARG CB C 13 32.654 0.129 . 1 . . . . . 26 ARG CB . 27439 1 280 . 1 1 26 26 ARG CD C 13 44.017 0.000 . 1 . . . . . 26 ARG CD . 27439 1 281 . 1 1 26 26 ARG CG C 13 24.934 0.000 . 1 . . . . . 26 ARG CG . 27439 1 282 . 1 1 26 26 ARG H H 1 9.050 0.011 . 1 . . . . . 26 ARG H . 27439 1 283 . 1 1 26 26 ARG HA H 1 4.725 0.006 . 1 . . . . . 26 ARG HA . 27439 1 284 . 1 1 26 26 ARG HB2 H 1 1.941 0.017 . 2 . . . . . 26 ARG HB2 . 27439 1 285 . 1 1 26 26 ARG HB3 H 1 1.929 0.037 . 2 . . . . . 26 ARG HB3 . 27439 1 286 . 1 1 26 26 ARG N N 15 119.282 0.054 . 1 . . . . . 26 ARG N . 27439 1 287 . 1 1 27 27 SER C C 13 174.760 0.000 . 1 . . . . . 27 SER C . 27439 1 288 . 1 1 27 27 SER CA C 13 54.600 0.096 . 1 . . . . . 27 SER CA . 27439 1 289 . 1 1 27 27 SER CB C 13 65.838 0.148 . 1 . . . . . 27 SER CB . 27439 1 290 . 1 1 27 27 SER H H 1 8.373 0.015 . 1 . . . . . 27 SER H . 27439 1 291 . 1 1 27 27 SER HA H 1 4.830 0.011 . 1 . . . . . 27 SER HA . 27439 1 292 . 1 1 27 27 SER HB2 H 1 3.436 0.012 . 1 . . . . . 27 SER HB2 . 27439 1 293 . 1 1 27 27 SER HB3 H 1 3.436 0.013 . 1 . . . . . 27 SER HB3 . 27439 1 294 . 1 1 27 27 SER N N 15 119.428 0.089 . 1 . . . . . 27 SER N . 27439 1 295 . 1 1 28 28 GLY C C 13 174.338 0.000 . 1 . . . . . 28 GLY C . 27439 1 296 . 1 1 28 28 GLY CA C 13 46.276 0.085 . 1 . . . . . 28 GLY CA . 27439 1 297 . 1 1 28 28 GLY H H 1 8.312 0.011 . 1 . . . . . 28 GLY H . 27439 1 298 . 1 1 28 28 GLY HA2 H 1 3.544 0.014 . 2 . . . . . 28 GLY HA2 . 27439 1 299 . 1 1 28 28 GLY HA3 H 1 3.978 0.018 . 2 . . . . . 28 GLY HA3 . 27439 1 300 . 1 1 28 28 GLY N N 15 107.084 0.066 . 1 . . . . . 28 GLY N . 27439 1 301 . 1 1 29 29 ASN C C 13 175.811 0.000 . 1 . . . . . 29 ASN C . 27439 1 302 . 1 1 29 29 ASN CA C 13 53.673 0.008 . 1 . . . . . 29 ASN CA . 27439 1 303 . 1 1 29 29 ASN CB C 13 40.588 0.069 . 1 . . . . . 29 ASN CB . 27439 1 304 . 1 1 29 29 ASN H H 1 7.974 0.011 . 1 . . . . . 29 ASN H . 27439 1 305 . 1 1 29 29 ASN HA H 1 4.910 0.008 . 1 . . . . . 29 ASN HA . 27439 1 306 . 1 1 29 29 ASN HB2 H 1 2.588 0.006 . 2 . . . . . 29 ASN HB2 . 27439 1 307 . 1 1 29 29 ASN HB3 H 1 2.744 0.007 . 2 . . . . . 29 ASN HB3 . 27439 1 308 . 1 1 29 29 ASN N N 15 116.736 0.074 . 1 . . . . . 29 ASN N . 27439 1 309 . 1 1 30 30 THR C C 13 170.450 0.000 . 1 . . . . . 30 THR C . 27439 1 310 . 1 1 30 30 THR CA C 13 62.184 0.130 . 1 . . . . . 30 THR CA . 27439 1 311 . 1 1 30 30 THR CB C 13 71.925 0.074 . 1 . . . . . 30 THR CB . 27439 1 312 . 1 1 30 30 THR CG2 C 13 21.654 0.040 . 1 . . . . . 30 THR CG2 . 27439 1 313 . 1 1 30 30 THR H H 1 7.240 0.015 . 1 . . . . . 30 THR H . 27439 1 314 . 1 1 30 30 THR HA H 1 4.371 0.023 . 1 . . . . . 30 THR HA . 27439 1 315 . 1 1 30 30 THR HB H 1 3.723 0.012 . 1 . . . . . 30 THR HB . 27439 1 316 . 1 1 30 30 THR HG21 H 1 1.285 0.008 . 1 . . . . . 30 THR HG21 . 27439 1 317 . 1 1 30 30 THR HG22 H 1 1.285 0.008 . 1 . . . . . 30 THR HG22 . 27439 1 318 . 1 1 30 30 THR HG23 H 1 1.285 0.008 . 1 . . . . . 30 THR HG23 . 27439 1 319 . 1 1 30 30 THR N N 15 116.928 0.061 . 1 . . . . . 30 THR N . 27439 1 320 . 1 1 31 31 ASN C C 13 175.452 0.000 . 1 . . . . . 31 ASN C . 27439 1 321 . 1 1 31 31 ASN CA C 13 51.282 0.113 . 1 . . . . . 31 ASN CA . 27439 1 322 . 1 1 31 31 ASN CB C 13 38.817 0.065 . 1 . . . . . 31 ASN CB . 27439 1 323 . 1 1 31 31 ASN H H 1 8.851 0.030 . 1 . . . . . 31 ASN H . 27439 1 324 . 1 1 31 31 ASN HA H 1 4.990 0.008 . 1 . . . . . 31 ASN HA . 27439 1 325 . 1 1 31 31 ASN HB2 H 1 3.072 0.006 . 2 . . . . . 31 ASN HB2 . 27439 1 326 . 1 1 31 31 ASN HB3 H 1 2.858 0.009 . 2 . . . . . 31 ASN HB3 . 27439 1 327 . 1 1 31 31 ASN N N 15 124.172 0.118 . 1 . . . . . 31 ASN N . 27439 1 328 . 1 1 32 32 VAL C C 13 176.495 0.000 . 1 . . . . . 32 VAL C . 27439 1 329 . 1 1 32 32 VAL CA C 13 63.864 0.085 . 1 . . . . . 32 VAL CA . 27439 1 330 . 1 1 32 32 VAL CB C 13 31.889 0.092 . 1 . . . . . 32 VAL CB . 27439 1 331 . 1 1 32 32 VAL CG1 C 13 23.582 0.065 . 2 . . . . . 32 VAL CG1 . 27439 1 332 . 1 1 32 32 VAL CG2 C 13 22.567 0.058 . 2 . . . . . 32 VAL CG2 . 27439 1 333 . 1 1 32 32 VAL H H 1 8.093 0.008 . 1 . . . . . 32 VAL H . 27439 1 334 . 1 1 32 32 VAL HA H 1 3.998 0.019 . 1 . . . . . 32 VAL HA . 27439 1 335 . 1 1 32 32 VAL HB H 1 2.744 0.013 . 1 . . . . . 32 VAL HB . 27439 1 336 . 1 1 32 32 VAL HG11 H 1 1.328 0.015 . 2 . . . . . 32 VAL HG11 . 27439 1 337 . 1 1 32 32 VAL HG12 H 1 1.328 0.015 . 2 . . . . . 32 VAL HG12 . 27439 1 338 . 1 1 32 32 VAL HG13 H 1 1.328 0.015 . 2 . . . . . 32 VAL HG13 . 27439 1 339 . 1 1 32 32 VAL HG21 H 1 1.220 0.010 . 2 . . . . . 32 VAL HG21 . 27439 1 340 . 1 1 32 32 VAL HG22 H 1 1.220 0.010 . 2 . . . . . 32 VAL HG22 . 27439 1 341 . 1 1 32 32 VAL HG23 H 1 1.220 0.010 . 2 . . . . . 32 VAL HG23 . 27439 1 342 . 1 1 32 32 VAL N N 15 125.535 0.086 . 1 . . . . . 32 VAL N . 27439 1 343 . 1 1 33 33 GLY C C 13 171.687 0.000 . 1 . . . . . 33 GLY C . 27439 1 344 . 1 1 33 33 GLY CA C 13 43.367 0.138 . 1 . . . . . 33 GLY CA . 27439 1 345 . 1 1 33 33 GLY H H 1 7.737 0.016 . 1 . . . . . 33 GLY H . 27439 1 346 . 1 1 33 33 GLY HA2 H 1 3.357 0.008 . 2 . . . . . 33 GLY HA2 . 27439 1 347 . 1 1 33 33 GLY HA3 H 1 4.063 0.008 . 2 . . . . . 33 GLY HA3 . 27439 1 348 . 1 1 33 33 GLY N N 15 104.846 0.097 . 1 . . . . . 33 GLY N . 27439 1 349 . 1 1 34 34 VAL C C 13 175.201 0.000 . 1 . . . . . 34 VAL C . 27439 1 350 . 1 1 34 34 VAL CA C 13 64.180 0.099 . 1 . . . . . 34 VAL CA . 27439 1 351 . 1 1 34 34 VAL CB C 13 30.802 0.086 . 1 . . . . . 34 VAL CB . 27439 1 352 . 1 1 34 34 VAL CG1 C 13 20.938 0.064 . 2 . . . . . 34 VAL CG1 . 27439 1 353 . 1 1 34 34 VAL CG2 C 13 21.795 0.067 . 2 . . . . . 34 VAL CG2 . 27439 1 354 . 1 1 34 34 VAL H H 1 7.956 0.019 . 1 . . . . . 34 VAL H . 27439 1 355 . 1 1 34 34 VAL HA H 1 3.349 0.015 . 1 . . . . . 34 VAL HA . 27439 1 356 . 1 1 34 34 VAL HB H 1 1.623 0.014 . 1 . . . . . 34 VAL HB . 27439 1 357 . 1 1 34 34 VAL HG11 H 1 0.526 0.017 . 2 . . . . . 34 VAL HG11 . 27439 1 358 . 1 1 34 34 VAL HG12 H 1 0.526 0.017 . 2 . . . . . 34 VAL HG12 . 27439 1 359 . 1 1 34 34 VAL HG13 H 1 0.526 0.017 . 2 . . . . . 34 VAL HG13 . 27439 1 360 . 1 1 34 34 VAL HG21 H 1 0.560 0.015 . 2 . . . . . 34 VAL HG21 . 27439 1 361 . 1 1 34 34 VAL HG22 H 1 0.560 0.015 . 2 . . . . . 34 VAL HG22 . 27439 1 362 . 1 1 34 34 VAL HG23 H 1 0.560 0.015 . 2 . . . . . 34 VAL HG23 . 27439 1 363 . 1 1 34 34 VAL N N 15 120.234 0.133 . 1 . . . . . 34 VAL N . 27439 1 364 . 1 1 35 35 GLN C C 13 172.821 0.000 . 1 . . . . . 35 GLN C . 27439 1 365 . 1 1 35 35 GLN CA C 13 52.789 0.045 . 1 . . . . . 35 GLN CA . 27439 1 366 . 1 1 35 35 GLN CB C 13 32.043 0.100 . 1 . . . . . 35 GLN CB . 27439 1 367 . 1 1 35 35 GLN H H 1 8.059 0.018 . 1 . . . . . 35 GLN H . 27439 1 368 . 1 1 35 35 GLN HA H 1 4.489 0.015 . 1 . . . . . 35 GLN HA . 27439 1 369 . 1 1 35 35 GLN HB2 H 1 0.465 0.013 . 2 . . . . . 35 GLN HB2 . 27439 1 370 . 1 1 35 35 GLN HB3 H 1 0.467 0.010 . 2 . . . . . 35 GLN HB3 . 27439 1 371 . 1 1 35 35 GLN HG2 H 1 2.144 0.014 . 2 . . . . . 35 GLN HG2 . 27439 1 372 . 1 1 35 35 GLN HG3 H 1 1.983 0.028 . 2 . . . . . 35 GLN HG3 . 27439 1 373 . 1 1 35 35 GLN N N 15 127.028 0.075 . 1 . . . . . 35 GLN N . 27439 1 374 . 1 1 36 36 TYR C C 13 176.713 0.000 . 1 . . . . . 36 TYR C . 27439 1 375 . 1 1 36 36 TYR CA C 13 56.803 0.078 . 1 . . . . . 36 TYR CA . 27439 1 376 . 1 1 36 36 TYR CB C 13 42.526 0.132 . 1 . . . . . 36 TYR CB . 27439 1 377 . 1 1 36 36 TYR H H 1 8.623 0.017 . 1 . . . . . 36 TYR H . 27439 1 378 . 1 1 36 36 TYR HA H 1 5.810 0.012 . 1 . . . . . 36 TYR HA . 27439 1 379 . 1 1 36 36 TYR HB2 H 1 2.716 0.013 . 2 . . . . . 36 TYR HB2 . 27439 1 380 . 1 1 36 36 TYR HB3 H 1 2.927 0.012 . 2 . . . . . 36 TYR HB3 . 27439 1 381 . 1 1 36 36 TYR HD1 H 1 7.038 0.005 . 3 . . . . . 36 TYR HD1 . 27439 1 382 . 1 1 36 36 TYR HD2 H 1 7.038 0.005 . 3 . . . . . 36 TYR HD2 . 27439 1 383 . 1 1 36 36 TYR HE1 H 1 6.797 0.012 . 3 . . . . . 36 TYR HE1 . 27439 1 384 . 1 1 36 36 TYR HE2 H 1 6.797 0.012 . 3 . . . . . 36 TYR HE2 . 27439 1 385 . 1 1 36 36 TYR N N 15 115.747 0.104 . 1 . . . . . 36 TYR N . 27439 1 386 . 1 1 37 37 LEU C C 13 177.147 0.000 . 1 . . . . . 37 LEU C . 27439 1 387 . 1 1 37 37 LEU CA C 13 53.630 0.088 . 1 . . . . . 37 LEU CA . 27439 1 388 . 1 1 37 37 LEU CB C 13 48.934 0.130 . 1 . . . . . 37 LEU CB . 27439 1 389 . 1 1 37 37 LEU CG C 13 24.832 0.096 . 1 . . . . . 37 LEU CG . 27439 1 390 . 1 1 37 37 LEU H H 1 9.467 0.012 . 1 . . . . . 37 LEU H . 27439 1 391 . 1 1 37 37 LEU HA H 1 5.074 0.011 . 1 . . . . . 37 LEU HA . 27439 1 392 . 1 1 37 37 LEU HB2 H 1 1.908 0.013 . 2 . . . . . 37 LEU HB2 . 27439 1 393 . 1 1 37 37 LEU HB3 H 1 1.636 0.023 . 2 . . . . . 37 LEU HB3 . 27439 1 394 . 1 1 37 37 LEU N N 15 123.030 0.067 . 1 . . . . . 37 LEU N . 27439 1 395 . 1 1 38 38 ASN C C 13 175.589 0.000 . 1 . . . . . 38 ASN C . 27439 1 396 . 1 1 38 38 ASN CA C 13 52.774 0.061 . 1 . . . . . 38 ASN CA . 27439 1 397 . 1 1 38 38 ASN CB C 13 39.199 0.054 . 1 . . . . . 38 ASN CB . 27439 1 398 . 1 1 38 38 ASN H H 1 9.272 0.011 . 1 . . . . . 38 ASN H . 27439 1 399 . 1 1 38 38 ASN HA H 1 4.914 0.010 . 1 . . . . . 38 ASN HA . 27439 1 400 . 1 1 38 38 ASN HB2 H 1 3.045 0.010 . 2 . . . . . 38 ASN HB2 . 27439 1 401 . 1 1 38 38 ASN HB3 H 1 2.862 0.021 . 2 . . . . . 38 ASN HB3 . 27439 1 402 . 1 1 38 38 ASN N N 15 125.466 0.067 . 1 . . . . . 38 ASN N . 27439 1 403 . 1 1 39 39 PHE C C 13 176.820 0.000 . 1 . . . . . 39 PHE C . 27439 1 404 . 1 1 39 39 PHE CA C 13 59.238 0.163 . 1 . . . . . 39 PHE CA . 27439 1 405 . 1 1 39 39 PHE CB C 13 38.219 0.101 . 1 . . . . . 39 PHE CB . 27439 1 406 . 1 1 39 39 PHE H H 1 9.137 0.016 . 1 . . . . . 39 PHE H . 27439 1 407 . 1 1 39 39 PHE HA H 1 4.312 0.011 . 1 . . . . . 39 PHE HA . 27439 1 408 . 1 1 39 39 PHE HB2 H 1 2.875 0.012 . 2 . . . . . 39 PHE HB2 . 27439 1 409 . 1 1 39 39 PHE HB3 H 1 3.584 0.020 . 2 . . . . . 39 PHE HB3 . 27439 1 410 . 1 1 39 39 PHE HD1 H 1 7.213 0.010 . 3 . . . . . 39 PHE HD1 . 27439 1 411 . 1 1 39 39 PHE HD2 H 1 7.213 0.010 . 3 . . . . . 39 PHE HD2 . 27439 1 412 . 1 1 39 39 PHE N N 15 123.032 0.081 . 1 . . . . . 39 PHE N . 27439 1 413 . 1 1 40 40 LYS C C 13 175.672 0.000 . 1 . . . . . 40 LYS C . 27439 1 414 . 1 1 40 40 LYS CA C 13 59.513 0.181 . 1 . . . . . 40 LYS CA . 27439 1 415 . 1 1 40 40 LYS CB C 13 29.098 0.138 . 1 . . . . . 40 LYS CB . 27439 1 416 . 1 1 40 40 LYS H H 1 8.443 0.016 . 1 . . . . . 40 LYS H . 27439 1 417 . 1 1 40 40 LYS HA H 1 3.424 0.008 . 1 . . . . . 40 LYS HA . 27439 1 418 . 1 1 40 40 LYS HB2 H 1 1.888 0.005 . 2 . . . . . 40 LYS HB2 . 27439 1 419 . 1 1 40 40 LYS HB3 H 1 1.716 0.011 . 2 . . . . . 40 LYS HB3 . 27439 1 420 . 1 1 40 40 LYS N N 15 122.362 0.051 . 1 . . . . . 40 LYS N . 27439 1 421 . 1 1 41 41 GLY C C 13 172.614 0.000 . 1 . . . . . 41 GLY C . 27439 1 422 . 1 1 41 41 GLY CA C 13 45.511 0.124 . 1 . . . . . 41 GLY CA . 27439 1 423 . 1 1 41 41 GLY H H 1 8.904 0.013 . 1 . . . . . 41 GLY H . 27439 1 424 . 1 1 41 41 GLY HA2 H 1 4.251 0.008 . 2 . . . . . 41 GLY HA2 . 27439 1 425 . 1 1 41 41 GLY HA3 H 1 3.721 0.011 . 2 . . . . . 41 GLY HA3 . 27439 1 426 . 1 1 41 41 GLY N N 15 109.586 0.079 . 1 . . . . . 41 GLY N . 27439 1 427 . 1 1 42 42 THR C C 13 173.711 0.000 . 1 . . . . . 42 THR C . 27439 1 428 . 1 1 42 42 THR CA C 13 60.275 0.086 . 1 . . . . . 42 THR CA . 27439 1 429 . 1 1 42 42 THR CB C 13 72.382 0.069 . 1 . . . . . 42 THR CB . 27439 1 430 . 1 1 42 42 THR CG2 C 13 21.739 0.103 . 1 . . . . . 42 THR CG2 . 27439 1 431 . 1 1 42 42 THR H H 1 8.234 0.008 . 1 . . . . . 42 THR H . 27439 1 432 . 1 1 42 42 THR HA H 1 5.540 0.017 . 1 . . . . . 42 THR HA . 27439 1 433 . 1 1 42 42 THR HB H 1 3.809 0.011 . 1 . . . . . 42 THR HB . 27439 1 434 . 1 1 42 42 THR HG21 H 1 1.003 0.010 . 1 . . . . . 42 THR HG21 . 27439 1 435 . 1 1 42 42 THR HG22 H 1 1.003 0.010 . 1 . . . . . 42 THR HG22 . 27439 1 436 . 1 1 42 42 THR HG23 H 1 1.003 0.010 . 1 . . . . . 42 THR HG23 . 27439 1 437 . 1 1 42 42 THR N N 15 115.533 0.141 . 1 . . . . . 42 THR N . 27439 1 438 . 1 1 43 43 ARG C C 13 176.053 0.000 . 1 . . . . . 43 ARG C . 27439 1 439 . 1 1 43 43 ARG CA C 13 54.958 0.031 . 1 . . . . . 43 ARG CA . 27439 1 440 . 1 1 43 43 ARG CB C 13 33.410 0.124 . 1 . . . . . 43 ARG CB . 27439 1 441 . 1 1 43 43 ARG CD C 13 45.112 0.000 . 1 . . . . . 43 ARG CD . 27439 1 442 . 1 1 43 43 ARG H H 1 9.075 0.009 . 1 . . . . . 43 ARG H . 27439 1 443 . 1 1 43 43 ARG HA H 1 4.663 0.009 . 1 . . . . . 43 ARG HA . 27439 1 444 . 1 1 43 43 ARG HB2 H 1 1.535 0.013 . 2 . . . . . 43 ARG HB2 . 27439 1 445 . 1 1 43 43 ARG HB3 H 1 1.802 0.008 . 2 . . . . . 43 ARG HB3 . 27439 1 446 . 1 1 43 43 ARG N N 15 125.799 0.116 . 1 . . . . . 43 ARG N . 27439 1 447 . 1 1 44 44 ILE C C 13 176.158 0.000 . 1 . . . . . 44 ILE C . 27439 1 448 . 1 1 44 44 ILE CA C 13 60.771 0.148 . 1 . . . . . 44 ILE CA . 27439 1 449 . 1 1 44 44 ILE CB C 13 39.374 0.086 . 1 . . . . . 44 ILE CB . 27439 1 450 . 1 1 44 44 ILE CD1 C 13 13.476 0.150 . 1 . . . . . 44 ILE CD1 . 27439 1 451 . 1 1 44 44 ILE CG1 C 13 28.395 0.078 . 1 . . . . . 44 ILE CG1 . 27439 1 452 . 1 1 44 44 ILE CG2 C 13 17.651 0.153 . 1 . . . . . 44 ILE CG2 . 27439 1 453 . 1 1 44 44 ILE H H 1 8.819 0.008 . 1 . . . . . 44 ILE H . 27439 1 454 . 1 1 44 44 ILE HA H 1 4.828 0.019 . 1 . . . . . 44 ILE HA . 27439 1 455 . 1 1 44 44 ILE HB H 1 1.740 0.015 . 1 . . . . . 44 ILE HB . 27439 1 456 . 1 1 44 44 ILE HD11 H 1 0.785 0.033 . 1 . . . . . 44 ILE HD11 . 27439 1 457 . 1 1 44 44 ILE HD12 H 1 0.785 0.033 . 1 . . . . . 44 ILE HD12 . 27439 1 458 . 1 1 44 44 ILE HD13 H 1 0.785 0.033 . 1 . . . . . 44 ILE HD13 . 27439 1 459 . 1 1 44 44 ILE HG12 H 1 0.982 0.010 . 2 . . . . . 44 ILE HG12 . 27439 1 460 . 1 1 44 44 ILE HG13 H 1 1.541 0.023 . 2 . . . . . 44 ILE HG13 . 27439 1 461 . 1 1 44 44 ILE HG21 H 1 0.731 0.020 . 1 . . . . . 44 ILE HG21 . 27439 1 462 . 1 1 44 44 ILE HG22 H 1 0.731 0.020 . 1 . . . . . 44 ILE HG22 . 27439 1 463 . 1 1 44 44 ILE HG23 H 1 0.731 0.020 . 1 . . . . . 44 ILE HG23 . 27439 1 464 . 1 1 44 44 ILE N N 15 125.568 0.075 . 1 . . . . . 44 ILE N . 27439 1 465 . 1 1 45 45 ILE C C 13 173.991 0.000 . 1 . . . . . 45 ILE C . 27439 1 466 . 1 1 45 45 ILE CA C 13 60.886 0.163 . 1 . . . . . 45 ILE CA . 27439 1 467 . 1 1 45 45 ILE CB C 13 39.908 0.147 . 1 . . . . . 45 ILE CB . 27439 1 468 . 1 1 45 45 ILE CD1 C 13 14.560 0.087 . 1 . . . . . 45 ILE CD1 . 27439 1 469 . 1 1 45 45 ILE CG1 C 13 27.515 0.127 . 1 . . . . . 45 ILE CG1 . 27439 1 470 . 1 1 45 45 ILE CG2 C 13 16.963 0.063 . 1 . . . . . 45 ILE CG2 . 27439 1 471 . 1 1 45 45 ILE H H 1 9.600 0.022 . 1 . . . . . 45 ILE H . 27439 1 472 . 1 1 45 45 ILE HA H 1 4.167 0.010 . 1 . . . . . 45 ILE HA . 27439 1 473 . 1 1 45 45 ILE HB H 1 1.508 0.013 . 1 . . . . . 45 ILE HB . 27439 1 474 . 1 1 45 45 ILE HD11 H 1 0.759 0.017 . 1 . . . . . 45 ILE HD11 . 27439 1 475 . 1 1 45 45 ILE HD12 H 1 0.759 0.017 . 1 . . . . . 45 ILE HD12 . 27439 1 476 . 1 1 45 45 ILE HD13 H 1 0.759 0.017 . 1 . . . . . 45 ILE HD13 . 27439 1 477 . 1 1 45 45 ILE HG12 H 1 0.294 0.008 . 2 . . . . . 45 ILE HG12 . 27439 1 478 . 1 1 45 45 ILE HG13 H 1 0.294 0.009 . 2 . . . . . 45 ILE HG13 . 27439 1 479 . 1 1 45 45 ILE HG21 H 1 0.944 0.018 . 1 . . . . . 45 ILE HG21 . 27439 1 480 . 1 1 45 45 ILE HG22 H 1 0.944 0.018 . 1 . . . . . 45 ILE HG22 . 27439 1 481 . 1 1 45 45 ILE HG23 H 1 0.944 0.018 . 1 . . . . . 45 ILE HG23 . 27439 1 482 . 1 1 45 45 ILE N N 15 132.794 0.096 . 1 . . . . . 45 ILE N . 27439 1 483 . 1 1 46 46 LYS C C 13 176.491 0.000 . 1 . . . . . 46 LYS C . 27439 1 484 . 1 1 46 46 LYS CA C 13 54.033 0.068 . 1 . . . . . 46 LYS CA . 27439 1 485 . 1 1 46 46 LYS CB C 13 35.658 0.042 . 1 . . . . . 46 LYS CB . 27439 1 486 . 1 1 46 46 LYS CG C 13 25.903 0.000 . 1 . . . . . 46 LYS CG . 27439 1 487 . 1 1 46 46 LYS H H 1 8.431 0.016 . 1 . . . . . 46 LYS H . 27439 1 488 . 1 1 46 46 LYS HA H 1 5.678 0.006 . 1 . . . . . 46 LYS HA . 27439 1 489 . 1 1 46 46 LYS HB2 H 1 1.623 0.013 . 2 . . . . . 46 LYS HB2 . 27439 1 490 . 1 1 46 46 LYS HB3 H 1 1.546 0.018 . 2 . . . . . 46 LYS HB3 . 27439 1 491 . 1 1 46 46 LYS N N 15 126.020 0.128 . 1 . . . . . 46 LYS N . 27439 1 492 . 1 1 47 47 PHE C C 13 175.758 0.000 . 1 . . . . . 47 PHE C . 27439 1 493 . 1 1 47 47 PHE CA C 13 56.152 0.016 . 1 . . . . . 47 PHE CA . 27439 1 494 . 1 1 47 47 PHE CB C 13 41.789 0.063 . 1 . . . . . 47 PHE CB . 27439 1 495 . 1 1 47 47 PHE H H 1 8.539 0.011 . 1 . . . . . 47 PHE H . 27439 1 496 . 1 1 47 47 PHE HA H 1 4.991 0.013 . 1 . . . . . 47 PHE HA . 27439 1 497 . 1 1 47 47 PHE HB2 H 1 3.190 0.014 . 2 . . . . . 47 PHE HB2 . 27439 1 498 . 1 1 47 47 PHE HB3 H 1 3.192 0.014 . 2 . . . . . 47 PHE HB3 . 27439 1 499 . 1 1 47 47 PHE HD1 H 1 6.914 0.017 . 3 . . . . . 47 PHE HD1 . 27439 1 500 . 1 1 47 47 PHE HD2 H 1 6.914 0.017 . 3 . . . . . 47 PHE HD2 . 27439 1 501 . 1 1 47 47 PHE HE1 H 1 6.788 0.010 . 3 . . . . . 47 PHE HE1 . 27439 1 502 . 1 1 47 47 PHE HE2 H 1 6.788 0.010 . 3 . . . . . 47 PHE HE2 . 27439 1 503 . 1 1 47 47 PHE N N 15 118.436 0.064 . 1 . . . . . 47 PHE N . 27439 1 504 . 1 1 48 48 LYS C C 13 176.240 0.000 . 1 . . . . . 48 LYS C . 27439 1 505 . 1 1 48 48 LYS CA C 13 54.940 0.037 . 1 . . . . . 48 LYS CA . 27439 1 506 . 1 1 48 48 LYS CB C 13 32.943 0.024 . 1 . . . . . 48 LYS CB . 27439 1 507 . 1 1 48 48 LYS CG C 13 25.062 0.000 . 1 . . . . . 48 LYS CG . 27439 1 508 . 1 1 48 48 LYS H H 1 8.826 0.010 . 1 . . . . . 48 LYS H . 27439 1 509 . 1 1 48 48 LYS HA H 1 4.399 0.012 . 1 . . . . . 48 LYS HA . 27439 1 510 . 1 1 48 48 LYS HB2 H 1 1.804 0.021 . 2 . . . . . 48 LYS HB2 . 27439 1 511 . 1 1 48 48 LYS HB3 H 1 1.805 0.019 . 2 . . . . . 48 LYS HB3 . 27439 1 512 . 1 1 48 48 LYS N N 15 120.542 0.096 . 1 . . . . . 48 LYS N . 27439 1 513 . 1 1 49 49 ASP C C 13 176.045 0.000 . 1 . . . . . 49 ASP C . 27439 1 514 . 1 1 49 49 ASP CA C 13 55.207 0.128 . 1 . . . . . 49 ASP CA . 27439 1 515 . 1 1 49 49 ASP CB C 13 41.499 0.098 . 1 . . . . . 49 ASP CB . 27439 1 516 . 1 1 49 49 ASP H H 1 8.500 0.012 . 1 . . . . . 49 ASP H . 27439 1 517 . 1 1 49 49 ASP HA H 1 4.682 0.004 . 1 . . . . . 49 ASP HA . 27439 1 518 . 1 1 49 49 ASP HB2 H 1 3.236 0.019 . 2 . . . . . 49 ASP HB2 . 27439 1 519 . 1 1 49 49 ASP HB3 H 1 2.651 0.018 . 2 . . . . . 49 ASP HB3 . 27439 1 520 . 1 1 49 49 ASP N N 15 127.572 0.114 . 1 . . . . . 49 ASP N . 27439 1 521 . 1 1 50 50 ASP C C 13 178.482 0.000 . 1 . . . . . 50 ASP C . 27439 1 522 . 1 1 50 50 ASP CA C 13 52.273 0.076 . 1 . . . . . 50 ASP CA . 27439 1 523 . 1 1 50 50 ASP CB C 13 41.656 0.140 . 1 . . . . . 50 ASP CB . 27439 1 524 . 1 1 50 50 ASP H H 1 8.630 0.017 . 1 . . . . . 50 ASP H . 27439 1 525 . 1 1 50 50 ASP HA H 1 4.785 0.013 . 1 . . . . . 50 ASP HA . 27439 1 526 . 1 1 50 50 ASP HB2 H 1 2.632 0.016 . 2 . . . . . 50 ASP HB2 . 27439 1 527 . 1 1 50 50 ASP HB3 H 1 3.225 0.017 . 2 . . . . . 50 ASP HB3 . 27439 1 528 . 1 1 50 50 ASP N N 15 125.784 0.077 . 1 . . . . . 50 ASP N . 27439 1 529 . 1 1 51 51 GLY C C 13 172.991 0.000 . 1 . . . . . 51 GLY C . 27439 1 530 . 1 1 51 51 GLY CA C 13 46.293 0.145 . 1 . . . . . 51 GLY CA . 27439 1 531 . 1 1 51 51 GLY H H 1 9.467 0.023 . 1 . . . . . 51 GLY H . 27439 1 532 . 1 1 51 51 GLY HA2 H 1 3.837 0.029 . 2 . . . . . 51 GLY HA2 . 27439 1 533 . 1 1 51 51 GLY HA3 H 1 4.174 0.017 . 2 . . . . . 51 GLY HA3 . 27439 1 534 . 1 1 51 51 GLY N N 15 110.563 0.103 . 1 . . . . . 51 GLY N . 27439 1 535 . 1 1 52 52 THR C C 13 175.431 0.000 . 1 . . . . . 52 THR C . 27439 1 536 . 1 1 52 52 THR CA C 13 59.914 0.111 . 1 . . . . . 52 THR CA . 27439 1 537 . 1 1 52 52 THR CB C 13 73.481 0.111 . 1 . . . . . 52 THR CB . 27439 1 538 . 1 1 52 52 THR CG2 C 13 20.130 0.070 . 1 . . . . . 52 THR CG2 . 27439 1 539 . 1 1 52 52 THR H H 1 8.177 0.016 . 1 . . . . . 52 THR H . 27439 1 540 . 1 1 52 52 THR HA H 1 4.906 0.010 . 1 . . . . . 52 THR HA . 27439 1 541 . 1 1 52 52 THR HB H 1 4.461 0.012 . 1 . . . . . 52 THR HB . 27439 1 542 . 1 1 52 52 THR HG21 H 1 1.103 0.009 . 1 . . . . . 52 THR HG21 . 27439 1 543 . 1 1 52 52 THR HG22 H 1 1.103 0.009 . 1 . . . . . 52 THR HG22 . 27439 1 544 . 1 1 52 52 THR HG23 H 1 1.103 0.009 . 1 . . . . . 52 THR HG23 . 27439 1 545 . 1 1 52 52 THR N N 15 109.907 0.071 . 1 . . . . . 52 THR N . 27439 1 546 . 1 1 53 53 GLU C C 13 178.275 0.000 . 1 . . . . . 53 GLU C . 27439 1 547 . 1 1 53 53 GLU CA C 13 58.541 0.020 . 1 . . . . . 53 GLU CA . 27439 1 548 . 1 1 53 53 GLU CB C 13 29.221 0.047 . 1 . . . . . 53 GLU CB . 27439 1 549 . 1 1 53 53 GLU CG C 13 35.679 0.088 . 1 . . . . . 53 GLU CG . 27439 1 550 . 1 1 53 53 GLU H H 1 9.173 0.010 . 1 . . . . . 53 GLU H . 27439 1 551 . 1 1 53 53 GLU HA H 1 4.085 0.007 . 1 . . . . . 53 GLU HA . 27439 1 552 . 1 1 53 53 GLU HB2 H 1 2.091 0.030 . 2 . . . . . 53 GLU HB2 . 27439 1 553 . 1 1 53 53 GLU HB3 H 1 2.047 0.007 . 2 . . . . . 53 GLU HB3 . 27439 1 554 . 1 1 53 53 GLU HG2 H 1 2.361 0.009 . 1 . . . . . 53 GLU HG2 . 27439 1 555 . 1 1 53 53 GLU HG3 H 1 2.361 0.009 . 1 . . . . . 53 GLU HG3 . 27439 1 556 . 1 1 53 53 GLU N N 15 118.833 0.057 . 1 . . . . . 53 GLU N . 27439 1 557 . 1 1 54 54 ARG C C 13 177.047 0.000 . 1 . . . . . 54 ARG C . 27439 1 558 . 1 1 54 54 ARG CA C 13 59.303 0.163 . 1 . . . . . 54 ARG CA . 27439 1 559 . 1 1 54 54 ARG CB C 13 30.042 0.040 . 1 . . . . . 54 ARG CB . 27439 1 560 . 1 1 54 54 ARG CD C 13 43.441 0.000 . 1 . . . . . 54 ARG CD . 27439 1 561 . 1 1 54 54 ARG CG C 13 28.071 0.000 . 1 . . . . . 54 ARG CG . 27439 1 562 . 1 1 54 54 ARG H H 1 8.276 0.015 . 1 . . . . . 54 ARG H . 27439 1 563 . 1 1 54 54 ARG HA H 1 4.036 0.009 . 1 . . . . . 54 ARG HA . 27439 1 564 . 1 1 54 54 ARG HB2 H 1 1.780 0.004 . 2 . . . . . 54 ARG HB2 . 27439 1 565 . 1 1 54 54 ARG HB3 H 1 1.628 0.008 . 2 . . . . . 54 ARG HB3 . 27439 1 566 . 1 1 54 54 ARG N N 15 118.493 0.067 . 1 . . . . . 54 ARG N . 27439 1 567 . 1 1 55 55 SER C C 13 170.606 0.000 . 1 . . . . . 55 SER C . 27439 1 568 . 1 1 55 55 SER CA C 13 59.484 0.018 . 1 . . . . . 55 SER CA . 27439 1 569 . 1 1 55 55 SER CB C 13 64.529 0.116 . 1 . . . . . 55 SER CB . 27439 1 570 . 1 1 55 55 SER H H 1 7.948 0.014 . 1 . . . . . 55 SER H . 27439 1 571 . 1 1 55 55 SER HA H 1 4.408 0.008 . 1 . . . . . 55 SER HA . 27439 1 572 . 1 1 55 55 SER HB2 H 1 4.649 0.011 . 2 . . . . . 55 SER HB2 . 27439 1 573 . 1 1 55 55 SER HB3 H 1 4.412 0.011 . 2 . . . . . 55 SER HB3 . 27439 1 574 . 1 1 55 55 SER N N 15 110.618 0.086 . 1 . . . . . 55 SER N . 27439 1 575 . 1 1 56 56 ARG C C 13 176.293 0.000 . 1 . . . . . 56 ARG C . 27439 1 576 . 1 1 56 56 ARG CA C 13 56.246 0.070 . 1 . . . . . 56 ARG CA . 27439 1 577 . 1 1 56 56 ARG CB C 13 30.774 0.138 . 1 . . . . . 56 ARG CB . 27439 1 578 . 1 1 56 56 ARG CD C 13 43.432 0.000 . 1 . . . . . 56 ARG CD . 27439 1 579 . 1 1 56 56 ARG CG C 13 27.603 0.000 . 1 . . . . . 56 ARG CG . 27439 1 580 . 1 1 56 56 ARG H H 1 7.053 0.011 . 1 . . . . . 56 ARG H . 27439 1 581 . 1 1 56 56 ARG HA H 1 4.632 0.025 . 1 . . . . . 56 ARG HA . 27439 1 582 . 1 1 56 56 ARG HB2 H 1 1.924 0.021 . 2 . . . . . 56 ARG HB2 . 27439 1 583 . 1 1 56 56 ARG HB3 H 1 1.605 0.013 . 2 . . . . . 56 ARG HB3 . 27439 1 584 . 1 1 56 56 ARG N N 15 119.081 0.076 . 1 . . . . . 56 ARG N . 27439 1 585 . 1 1 57 57 TRP C C 13 171.332 0.000 . 1 . . . . . 57 TRP C . 27439 1 586 . 1 1 57 57 TRP CA C 13 57.317 0.090 . 1 . . . . . 57 TRP CA . 27439 1 587 . 1 1 57 57 TRP CB C 13 32.286 0.173 . 1 . . . . . 57 TRP CB . 27439 1 588 . 1 1 57 57 TRP H H 1 8.625 0.013 . 1 . . . . . 57 TRP H . 27439 1 589 . 1 1 57 57 TRP HA H 1 4.772 0.007 . 1 . . . . . 57 TRP HA . 27439 1 590 . 1 1 57 57 TRP HB2 H 1 2.741 0.014 . 2 . . . . . 57 TRP HB2 . 27439 1 591 . 1 1 57 57 TRP HB3 H 1 2.862 0.016 . 2 . . . . . 57 TRP HB3 . 27439 1 592 . 1 1 57 57 TRP HE1 H 1 6.726 0.011 . 1 . . . . . 57 TRP HE1 . 27439 1 593 . 1 1 57 57 TRP N N 15 127.009 0.108 . 1 . . . . . 57 TRP N . 27439 1 594 . 1 1 58 58 ASN C C 13 174.960 0.000 . 1 . . . . . 58 ASN C . 27439 1 595 . 1 1 58 58 ASN CA C 13 52.238 0.071 . 1 . . . . . 58 ASN CA . 27439 1 596 . 1 1 58 58 ASN CB C 13 42.912 0.062 . 1 . . . . . 58 ASN CB . 27439 1 597 . 1 1 58 58 ASN H H 1 8.866 0.012 . 1 . . . . . 58 ASN H . 27439 1 598 . 1 1 58 58 ASN HA H 1 5.616 0.007 . 1 . . . . . 58 ASN HA . 27439 1 599 . 1 1 58 58 ASN HB2 H 1 2.599 0.012 . 2 . . . . . 58 ASN HB2 . 27439 1 600 . 1 1 58 58 ASN HB3 H 1 2.469 0.018 . 2 . . . . . 58 ASN HB3 . 27439 1 601 . 1 1 58 58 ASN N N 15 120.343 0.066 . 1 . . . . . 58 ASN N . 27439 1 602 . 1 1 59 59 CYS C C 13 171.110 0.000 . 1 . . . . . 59 CYS C . 27439 1 603 . 1 1 59 59 CYS CA C 13 55.321 0.080 . 1 . . . . . 59 CYS CA . 27439 1 604 . 1 1 59 59 CYS CB C 13 51.047 0.112 . 1 . . . . . 59 CYS CB . 27439 1 605 . 1 1 59 59 CYS H H 1 9.326 0.014 . 1 . . . . . 59 CYS H . 27439 1 606 . 1 1 59 59 CYS HA H 1 5.551 0.010 . 1 . . . . . 59 CYS HA . 27439 1 607 . 1 1 59 59 CYS HB2 H 1 1.935 0.019 . 2 . . . . . 59 CYS HB2 . 27439 1 608 . 1 1 59 59 CYS HB3 H 1 2.738 0.015 . 2 . . . . . 59 CYS HB3 . 27439 1 609 . 1 1 59 59 CYS N N 15 119.000 0.061 . 1 . . . . . 59 CYS N . 27439 1 610 . 1 1 60 60 LEU C C 13 175.977 0.000 . 1 . . . . . 60 LEU C . 27439 1 611 . 1 1 60 60 LEU CA C 13 54.020 0.098 . 1 . . . . . 60 LEU CA . 27439 1 612 . 1 1 60 60 LEU CB C 13 43.714 0.037 . 1 . . . . . 60 LEU CB . 27439 1 613 . 1 1 60 60 LEU H H 1 8.311 0.027 . 1 . . . . . 60 LEU H . 27439 1 614 . 1 1 60 60 LEU HA H 1 5.034 0.009 . 1 . . . . . 60 LEU HA . 27439 1 615 . 1 1 60 60 LEU HB2 H 1 1.837 0.013 . 2 . . . . . 60 LEU HB2 . 27439 1 616 . 1 1 60 60 LEU HB3 H 1 1.704 0.030 . 2 . . . . . 60 LEU HB3 . 27439 1 617 . 1 1 60 60 LEU N N 15 126.616 0.142 . 1 . . . . . 60 LEU N . 27439 1 618 . 1 1 61 61 PHE C C 13 175.464 0.000 . 1 . . . . . 61 PHE C . 27439 1 619 . 1 1 61 61 PHE CA C 13 56.757 0.055 . 1 . . . . . 61 PHE CA . 27439 1 620 . 1 1 61 61 PHE CB C 13 43.544 0.255 . 1 . . . . . 61 PHE CB . 27439 1 621 . 1 1 61 61 PHE H H 1 9.358 0.016 . 1 . . . . . 61 PHE H . 27439 1 622 . 1 1 61 61 PHE HA H 1 5.920 0.014 . 1 . . . . . 61 PHE HA . 27439 1 623 . 1 1 61 61 PHE HB2 H 1 3.022 0.015 . 2 . . . . . 61 PHE HB2 . 27439 1 624 . 1 1 61 61 PHE HB3 H 1 3.447 0.010 . 2 . . . . . 61 PHE HB3 . 27439 1 625 . 1 1 61 61 PHE HD1 H 1 7.318 0.017 . 3 . . . . . 61 PHE HD1 . 27439 1 626 . 1 1 61 61 PHE HD2 H 1 7.318 0.017 . 3 . . . . . 61 PHE HD2 . 27439 1 627 . 1 1 61 61 PHE HE1 H 1 7.085 0.018 . 3 . . . . . 61 PHE HE1 . 27439 1 628 . 1 1 61 61 PHE HE2 H 1 7.085 0.018 . 3 . . . . . 61 PHE HE2 . 27439 1 629 . 1 1 61 61 PHE HZ H 1 7.094 0.009 . 1 . . . . . 61 PHE HZ . 27439 1 630 . 1 1 61 61 PHE N N 15 125.613 0.114 . 1 . . . . . 61 PHE N . 27439 1 631 . 1 1 62 62 ARG C C 13 173.900 0.000 . 1 . . . . . 62 ARG C . 27439 1 632 . 1 1 62 62 ARG CA C 13 55.040 0.117 . 1 . . . . . 62 ARG CA . 27439 1 633 . 1 1 62 62 ARG CB C 13 35.911 0.070 . 1 . . . . . 62 ARG CB . 27439 1 634 . 1 1 62 62 ARG H H 1 9.517 0.018 . 1 . . . . . 62 ARG H . 27439 1 635 . 1 1 62 62 ARG HA H 1 6.259 0.007 . 1 . . . . . 62 ARG HA . 27439 1 636 . 1 1 62 62 ARG HB2 H 1 2.080 0.014 . 2 . . . . . 62 ARG HB2 . 27439 1 637 . 1 1 62 62 ARG HB3 H 1 1.773 0.013 . 2 . . . . . 62 ARG HB3 . 27439 1 638 . 1 1 62 62 ARG N N 15 117.579 0.137 . 1 . . . . . 62 ARG N . 27439 1 639 . 1 1 63 63 GLN C C 13 173.781 0.000 . 1 . . . . . 63 GLN C . 27439 1 640 . 1 1 63 63 GLN CA C 13 55.318 0.000 . 1 . . . . . 63 GLN CA . 27439 1 641 . 1 1 63 63 GLN H H 1 8.780 0.014 . 1 . . . . . 63 GLN H . 27439 1 642 . 1 1 63 63 GLN HA H 1 4.789 0.007 . 1 . . . . . 63 GLN HA . 27439 1 643 . 1 1 63 63 GLN N N 15 113.330 0.147 . 1 . . . . . 63 GLN N . 27439 1 644 . 1 1 64 64 GLY C C 13 175.755 0.000 . 1 . . . . . 64 GLY C . 27439 1 645 . 1 1 64 64 GLY CA C 13 43.327 0.145 . 1 . . . . . 64 GLY CA . 27439 1 646 . 1 1 64 64 GLY H H 1 8.857 0.011 . 1 . . . . . 64 GLY H . 27439 1 647 . 1 1 64 64 GLY HA2 H 1 3.754 0.017 . 2 . . . . . 64 GLY HA2 . 27439 1 648 . 1 1 64 64 GLY HA3 H 1 4.519 0.011 . 2 . . . . . 64 GLY HA3 . 27439 1 649 . 1 1 64 64 GLY N N 15 106.975 0.086 . 1 . . . . . 64 GLY N . 27439 1 650 . 1 1 65 65 ILE CA C 13 62.633 0.096 . 1 . . . . . 65 ILE CA . 27439 1 651 . 1 1 65 65 ILE CB C 13 37.192 0.103 . 1 . . . . . 65 ILE CB . 27439 1 652 . 1 1 65 65 ILE CD1 C 13 12.633 0.100 . 1 . . . . . 65 ILE CD1 . 27439 1 653 . 1 1 65 65 ILE CG1 C 13 28.114 0.056 . 1 . . . . . 65 ILE CG1 . 27439 1 654 . 1 1 65 65 ILE CG2 C 13 16.880 0.059 . 1 . . . . . 65 ILE CG2 . 27439 1 655 . 1 1 65 65 ILE H H 1 8.837 0.007 . 1 . . . . . 65 ILE H . 27439 1 656 . 1 1 65 65 ILE HA H 1 3.930 0.009 . 1 . . . . . 65 ILE HA . 27439 1 657 . 1 1 65 65 ILE HB H 1 1.753 0.007 . 1 . . . . . 65 ILE HB . 27439 1 658 . 1 1 65 65 ILE HD11 H 1 0.927 0.033 . 1 . . . . . 65 ILE HD11 . 27439 1 659 . 1 1 65 65 ILE HD12 H 1 0.927 0.033 . 1 . . . . . 65 ILE HD12 . 27439 1 660 . 1 1 65 65 ILE HD13 H 1 0.927 0.033 . 1 . . . . . 65 ILE HD13 . 27439 1 661 . 1 1 65 65 ILE HG12 H 1 1.270 0.005 . 1 . . . . . 65 ILE HG12 . 27439 1 662 . 1 1 65 65 ILE HG13 H 1 1.270 0.005 . 1 . . . . . 65 ILE HG13 . 27439 1 663 . 1 1 65 65 ILE HG21 H 1 0.951 0.018 . 1 . . . . . 65 ILE HG21 . 27439 1 664 . 1 1 65 65 ILE HG22 H 1 0.951 0.018 . 1 . . . . . 65 ILE HG22 . 27439 1 665 . 1 1 65 65 ILE HG23 H 1 0.951 0.018 . 1 . . . . . 65 ILE HG23 . 27439 1 666 . 1 1 65 65 ILE N N 15 123.724 0.097 . 1 . . . . . 65 ILE N . 27439 1 667 . 1 1 68 68 LYS C C 13 176.310 0.000 . 1 . . . . . 68 LYS C . 27439 1 668 . 1 1 68 68 LYS CA C 13 59.343 0.000 . 1 . . . . . 68 LYS CA . 27439 1 669 . 1 1 68 68 LYS CB C 13 32.879 0.056 . 1 . . . . . 68 LYS CB . 27439 1 670 . 1 1 68 68 LYS HA H 1 3.878 0.010 . 1 . . . . . 68 LYS HA . 27439 1 671 . 1 1 68 68 LYS HB2 H 1 1.802 0.018 . 2 . . . . . 68 LYS HB2 . 27439 1 672 . 1 1 68 68 LYS HB3 H 1 1.451 0.016 . 2 . . . . . 68 LYS HB3 . 27439 1 673 . 1 1 69 69 PHE C C 13 176.000 0.000 . 1 . . . . . 69 PHE C . 27439 1 674 . 1 1 69 69 PHE CA C 13 57.037 0.124 . 1 . . . . . 69 PHE CA . 27439 1 675 . 1 1 69 69 PHE CB C 13 40.519 0.089 . 1 . . . . . 69 PHE CB . 27439 1 676 . 1 1 69 69 PHE H H 1 8.155 0.016 . 1 . . . . . 69 PHE H . 27439 1 677 . 1 1 69 69 PHE HA H 1 5.603 0.010 . 1 . . . . . 69 PHE HA . 27439 1 678 . 1 1 69 69 PHE HB2 H 1 2.850 0.012 . 2 . . . . . 69 PHE HB2 . 27439 1 679 . 1 1 69 69 PHE HB3 H 1 2.762 0.011 . 2 . . . . . 69 PHE HB3 . 27439 1 680 . 1 1 69 69 PHE N N 15 116.984 0.093 . 1 . . . . . 69 PHE N . 27439 1 681 . 1 1 70 70 PHE C C 13 174.746 0.000 . 1 . . . . . 70 PHE C . 27439 1 682 . 1 1 70 70 PHE CA C 13 55.674 0.073 . 1 . . . . . 70 PHE CA . 27439 1 683 . 1 1 70 70 PHE CB C 13 43.911 0.077 . 1 . . . . . 70 PHE CB . 27439 1 684 . 1 1 70 70 PHE H H 1 9.596 0.014 . 1 . . . . . 70 PHE H . 27439 1 685 . 1 1 70 70 PHE HA H 1 6.701 0.011 . 1 . . . . . 70 PHE HA . 27439 1 686 . 1 1 70 70 PHE HB2 H 1 3.320 0.010 . 2 . . . . . 70 PHE HB2 . 27439 1 687 . 1 1 70 70 PHE HB3 H 1 3.154 0.017 . 2 . . . . . 70 PHE HB3 . 27439 1 688 . 1 1 70 70 PHE HD1 H 1 7.216 0.008 . 3 . . . . . 70 PHE HD1 . 27439 1 689 . 1 1 70 70 PHE HD2 H 1 7.216 0.008 . 3 . . . . . 70 PHE HD2 . 27439 1 690 . 1 1 70 70 PHE HE1 H 1 7.368 0.012 . 3 . . . . . 70 PHE HE1 . 27439 1 691 . 1 1 70 70 PHE HE2 H 1 7.368 0.012 . 3 . . . . . 70 PHE HE2 . 27439 1 692 . 1 1 70 70 PHE N N 15 116.442 0.052 . 1 . . . . . 70 PHE N . 27439 1 693 . 1 1 71 71 THR C C 13 171.065 0.000 . 1 . . . . . 71 THR C . 27439 1 694 . 1 1 71 71 THR CA C 13 62.372 0.095 . 1 . . . . . 71 THR CA . 27439 1 695 . 1 1 71 71 THR CB C 13 68.690 0.175 . 1 . . . . . 71 THR CB . 27439 1 696 . 1 1 71 71 THR CG2 C 13 19.483 0.058 . 1 . . . . . 71 THR CG2 . 27439 1 697 . 1 1 71 71 THR H H 1 9.080 0.013 . 1 . . . . . 71 THR H . 27439 1 698 . 1 1 71 71 THR HA H 1 4.439 0.014 . 1 . . . . . 71 THR HA . 27439 1 699 . 1 1 71 71 THR HB H 1 4.149 0.013 . 1 . . . . . 71 THR HB . 27439 1 700 . 1 1 71 71 THR HG21 H 1 0.396 0.014 . 1 . . . . . 71 THR HG21 . 27439 1 701 . 1 1 71 71 THR HG22 H 1 0.396 0.014 . 1 . . . . . 71 THR HG22 . 27439 1 702 . 1 1 71 71 THR HG23 H 1 0.396 0.014 . 1 . . . . . 71 THR HG23 . 27439 1 703 . 1 1 71 71 THR N N 15 113.026 0.109 . 1 . . . . . 71 THR N . 27439 1 704 . 1 1 72 72 GLU C C 13 175.133 0.000 . 1 . . . . . 72 GLU C . 27439 1 705 . 1 1 72 72 GLU CA C 13 55.084 0.059 . 1 . . . . . 72 GLU CA . 27439 1 706 . 1 1 72 72 GLU CB C 13 32.433 0.041 . 1 . . . . . 72 GLU CB . 27439 1 707 . 1 1 72 72 GLU CG C 13 36.745 0.000 . 1 . . . . . 72 GLU CG . 27439 1 708 . 1 1 72 72 GLU H H 1 8.303 0.016 . 1 . . . . . 72 GLU H . 27439 1 709 . 1 1 72 72 GLU HA H 1 5.423 0.012 . 1 . . . . . 72 GLU HA . 27439 1 710 . 1 1 72 72 GLU HB2 H 1 1.971 0.019 . 2 . . . . . 72 GLU HB2 . 27439 1 711 . 1 1 72 72 GLU HB3 H 1 2.105 0.015 . 2 . . . . . 72 GLU HB3 . 27439 1 712 . 1 1 72 72 GLU HG2 H 1 2.181 0.000 . 1 . . . . . 72 GLU HG2 . 27439 1 713 . 1 1 72 72 GLU HG3 H 1 2.181 0.000 . 1 . . . . . 72 GLU HG3 . 27439 1 714 . 1 1 72 72 GLU N N 15 126.899 0.144 . 1 . . . . . 72 GLU N . 27439 1 715 . 1 1 73 73 VAL C C 13 174.393 0.000 . 1 . . . . . 73 VAL C . 27439 1 716 . 1 1 73 73 VAL CA C 13 59.239 0.079 . 1 . . . . . 73 VAL CA . 27439 1 717 . 1 1 73 73 VAL CB C 13 36.029 0.108 . 1 . . . . . 73 VAL CB . 27439 1 718 . 1 1 73 73 VAL CG1 C 13 21.442 0.000 . 2 . . . . . 73 VAL CG1 . 27439 1 719 . 1 1 73 73 VAL CG2 C 13 21.193 0.027 . 2 . . . . . 73 VAL CG2 . 27439 1 720 . 1 1 73 73 VAL H H 1 8.915 0.013 . 1 . . . . . 73 VAL H . 27439 1 721 . 1 1 73 73 VAL HA H 1 4.467 0.012 . 1 . . . . . 73 VAL HA . 27439 1 722 . 1 1 73 73 VAL HB H 1 2.012 0.012 . 1 . . . . . 73 VAL HB . 27439 1 723 . 1 1 73 73 VAL HG11 H 1 0.773 0.017 . 2 . . . . . 73 VAL HG11 . 27439 1 724 . 1 1 73 73 VAL HG12 H 1 0.773 0.017 . 2 . . . . . 73 VAL HG12 . 27439 1 725 . 1 1 73 73 VAL HG13 H 1 0.773 0.017 . 2 . . . . . 73 VAL HG13 . 27439 1 726 . 1 1 73 73 VAL HG21 H 1 0.921 0.033 . 2 . . . . . 73 VAL HG21 . 27439 1 727 . 1 1 73 73 VAL HG22 H 1 0.921 0.033 . 2 . . . . . 73 VAL HG22 . 27439 1 728 . 1 1 73 73 VAL HG23 H 1 0.921 0.033 . 2 . . . . . 73 VAL HG23 . 27439 1 729 . 1 1 73 73 VAL N N 15 120.407 0.060 . 1 . . . . . 73 VAL N . 27439 1 730 . 1 1 74 74 GLU C C 13 173.995 0.000 . 1 . . . . . 74 GLU C . 27439 1 731 . 1 1 74 74 GLU CA C 13 55.917 0.097 . 1 . . . . . 74 GLU CA . 27439 1 732 . 1 1 74 74 GLU CB C 13 29.604 0.169 . 1 . . . . . 74 GLU CB . 27439 1 733 . 1 1 74 74 GLU CG C 13 37.065 0.043 . 1 . . . . . 74 GLU CG . 27439 1 734 . 1 1 74 74 GLU H H 1 8.750 0.019 . 1 . . . . . 74 GLU H . 27439 1 735 . 1 1 74 74 GLU HA H 1 4.766 0.012 . 1 . . . . . 74 GLU HA . 27439 1 736 . 1 1 74 74 GLU HB2 H 1 1.855 0.024 . 2 . . . . . 74 GLU HB2 . 27439 1 737 . 1 1 74 74 GLU HB3 H 1 2.027 0.005 . 2 . . . . . 74 GLU HB3 . 27439 1 738 . 1 1 74 74 GLU HG2 H 1 2.139 0.008 . 2 . . . . . 74 GLU HG2 . 27439 1 739 . 1 1 74 74 GLU HG3 H 1 2.147 0.001 . 2 . . . . . 74 GLU HG3 . 27439 1 740 . 1 1 74 74 GLU N N 15 127.861 0.098 . 1 . . . . . 74 GLU N . 27439 1 741 . 1 1 75 75 ALA C C 13 175.100 0.000 . 1 . . . . . 75 ALA C . 27439 1 742 . 1 1 75 75 ALA CA C 13 52.798 0.078 . 1 . . . . . 75 ALA CA . 27439 1 743 . 1 1 75 75 ALA CB C 13 21.014 0.066 . 1 . . . . . 75 ALA CB . 27439 1 744 . 1 1 75 75 ALA H H 1 8.073 0.013 . 1 . . . . . 75 ALA H . 27439 1 745 . 1 1 75 75 ALA HA H 1 4.070 0.008 . 1 . . . . . 75 ALA HA . 27439 1 746 . 1 1 75 75 ALA HB1 H 1 1.255 0.011 . 1 . . . . . 75 ALA HB1 . 27439 1 747 . 1 1 75 75 ALA HB2 H 1 1.255 0.011 . 1 . . . . . 75 ALA HB2 . 27439 1 748 . 1 1 75 75 ALA HB3 H 1 1.255 0.011 . 1 . . . . . 75 ALA HB3 . 27439 1 749 . 1 1 75 75 ALA N N 15 130.811 0.077 . 1 . . . . . 75 ALA N . 27439 1 750 . 1 1 76 76 TYR C C 13 172.999 0.000 . 1 . . . . . 76 TYR C . 27439 1 751 . 1 1 76 76 TYR CA C 13 59.788 0.083 . 1 . . . . . 76 TYR CA . 27439 1 752 . 1 1 76 76 TYR CB C 13 42.124 0.044 . 1 . . . . . 76 TYR CB . 27439 1 753 . 1 1 76 76 TYR H H 1 7.378 0.014 . 1 . . . . . 76 TYR H . 27439 1 754 . 1 1 76 76 TYR HA H 1 4.327 0.011 . 1 . . . . . 76 TYR HA . 27439 1 755 . 1 1 76 76 TYR HB2 H 1 2.865 0.019 . 2 . . . . . 76 TYR HB2 . 27439 1 756 . 1 1 76 76 TYR HB3 H 1 2.866 0.021 . 2 . . . . . 76 TYR HB3 . 27439 1 757 . 1 1 76 76 TYR HD1 H 1 7.210 0.019 . 3 . . . . . 76 TYR HD1 . 27439 1 758 . 1 1 76 76 TYR HD2 H 1 7.210 0.019 . 3 . . . . . 76 TYR HD2 . 27439 1 759 . 1 1 76 76 TYR HE1 H 1 7.309 0.005 . 3 . . . . . 76 TYR HE1 . 27439 1 760 . 1 1 76 76 TYR HE2 H 1 7.309 0.005 . 3 . . . . . 76 TYR HE2 . 27439 1 761 . 1 1 76 76 TYR N N 15 111.974 0.052 . 1 . . . . . 76 TYR N . 27439 1 762 . 1 1 77 77 ARG CA C 13 51.654 0.000 . 1 . . . . . 77 ARG CA . 27439 1 763 . 1 1 77 77 ARG CB C 13 31.558 0.000 . 1 . . . . . 77 ARG CB . 27439 1 764 . 1 1 77 77 ARG H H 1 7.837 0.029 . 1 . . . . . 77 ARG H . 27439 1 765 . 1 1 77 77 ARG HA H 1 4.680 0.016 . 1 . . . . . 77 ARG HA . 27439 1 766 . 1 1 77 77 ARG HB2 H 1 1.580 0.027 . 2 . . . . . 77 ARG HB2 . 27439 1 767 . 1 1 77 77 ARG HB3 H 1 1.578 0.027 . 2 . . . . . 77 ARG HB3 . 27439 1 768 . 1 1 77 77 ARG HG2 H 1 1.364 0.008 . 2 . . . . . 77 ARG HG2 . 27439 1 769 . 1 1 77 77 ARG HG3 H 1 1.430 0.000 . 2 . . . . . 77 ARG HG3 . 27439 1 770 . 1 1 77 77 ARG N N 15 129.133 0.121 . 1 . . . . . 77 ARG N . 27439 1 771 . 1 1 78 78 PRO C C 13 174.759 0.000 . 1 . . . . . 78 PRO C . 27439 1 772 . 1 1 78 78 PRO CA C 13 62.280 0.070 . 1 . . . . . 78 PRO CA . 27439 1 773 . 1 1 78 78 PRO CB C 13 32.621 0.038 . 1 . . . . . 78 PRO CB . 27439 1 774 . 1 1 78 78 PRO HA H 1 4.157 0.025 . 1 . . . . . 78 PRO HA . 27439 1 775 . 1 1 78 78 PRO HB2 H 1 1.648 0.009 . 2 . . . . . 78 PRO HB2 . 27439 1 776 . 1 1 78 78 PRO HB3 H 1 2.443 0.005 . 2 . . . . . 78 PRO HB3 . 27439 1 777 . 1 1 79 79 ASP C C 13 175.796 0.000 . 1 . . . . . 79 ASP C . 27439 1 778 . 1 1 79 79 ASP CA C 13 52.801 0.095 . 1 . . . . . 79 ASP CA . 27439 1 779 . 1 1 79 79 ASP CB C 13 41.321 0.049 . 1 . . . . . 79 ASP CB . 27439 1 780 . 1 1 79 79 ASP H H 1 9.607 0.013 . 1 . . . . . 79 ASP H . 27439 1 781 . 1 1 79 79 ASP HA H 1 4.613 0.017 . 1 . . . . . 79 ASP HA . 27439 1 782 . 1 1 79 79 ASP HB2 H 1 2.565 0.016 . 2 . . . . . 79 ASP HB2 . 27439 1 783 . 1 1 79 79 ASP HB3 H 1 3.070 0.010 . 2 . . . . . 79 ASP HB3 . 27439 1 784 . 1 1 79 79 ASP N N 15 124.409 0.070 . 1 . . . . . 79 ASP N . 27439 1 785 . 1 1 80 80 LEU C C 13 178.651 0.000 . 1 . . . . . 80 LEU C . 27439 1 786 . 1 1 80 80 LEU CA C 13 56.955 0.087 . 1 . . . . . 80 LEU CA . 27439 1 787 . 1 1 80 80 LEU CB C 13 40.684 0.080 . 1 . . . . . 80 LEU CB . 27439 1 788 . 1 1 80 80 LEU CG C 13 24.696 0.000 . 1 . . . . . 80 LEU CG . 27439 1 789 . 1 1 80 80 LEU H H 1 7.960 0.011 . 1 . . . . . 80 LEU H . 27439 1 790 . 1 1 80 80 LEU HA H 1 4.009 0.008 . 1 . . . . . 80 LEU HA . 27439 1 791 . 1 1 80 80 LEU HB2 H 1 1.702 0.016 . 2 . . . . . 80 LEU HB2 . 27439 1 792 . 1 1 80 80 LEU HB3 H 1 1.478 0.013 . 2 . . . . . 80 LEU HB3 . 27439 1 793 . 1 1 80 80 LEU N N 15 122.435 0.096 . 1 . . . . . 80 LEU N . 27439 1 794 . 1 1 81 81 LYS C C 13 176.414 0.000 . 1 . . . . . 81 LYS C . 27439 1 795 . 1 1 81 81 LYS CA C 13 57.798 0.051 . 1 . . . . . 81 LYS CA . 27439 1 796 . 1 1 81 81 LYS CB C 13 31.134 0.122 . 1 . . . . . 81 LYS CB . 27439 1 797 . 1 1 81 81 LYS CG C 13 25.311 0.000 . 1 . . . . . 81 LYS CG . 27439 1 798 . 1 1 81 81 LYS H H 1 8.866 0.020 . 1 . . . . . 81 LYS H . 27439 1 799 . 1 1 81 81 LYS HA H 1 4.080 0.012 . 1 . . . . . 81 LYS HA . 27439 1 800 . 1 1 81 81 LYS HB2 H 1 1.853 0.009 . 2 . . . . . 81 LYS HB2 . 27439 1 801 . 1 1 81 81 LYS HB3 H 1 1.717 0.014 . 2 . . . . . 81 LYS HB3 . 27439 1 802 . 1 1 81 81 LYS N N 15 114.759 0.094 . 1 . . . . . 81 LYS N . 27439 1 803 . 1 1 82 82 HIS CA C 13 52.833 0.076 . 1 . . . . . 82 HIS CA . 27439 1 804 . 1 1 82 82 HIS CB C 13 28.943 0.033 . 1 . . . . . 82 HIS CB . 27439 1 805 . 1 1 82 82 HIS H H 1 8.610 0.014 . 1 . . . . . 82 HIS H . 27439 1 806 . 1 1 82 82 HIS HA H 1 5.079 0.007 . 1 . . . . . 82 HIS HA . 27439 1 807 . 1 1 82 82 HIS HB2 H 1 2.995 0.011 . 2 . . . . . 82 HIS HB2 . 27439 1 808 . 1 1 82 82 HIS HB3 H 1 3.138 0.006 . 2 . . . . . 82 HIS HB3 . 27439 1 809 . 1 1 82 82 HIS HD1 H 1 6.954 0.000 . 1 . . . . . 82 HIS HD1 . 27439 1 810 . 1 1 82 82 HIS HE1 H 1 7.766 0.000 . 1 . . . . . 82 HIS HE1 . 27439 1 811 . 1 1 82 82 HIS N N 15 117.581 0.101 . 1 . . . . . 82 HIS N . 27439 1 812 . 1 1 83 83 PRO C C 13 176.540 0.000 . 1 . . . . . 83 PRO C . 27439 1 813 . 1 1 83 83 PRO CA C 13 63.227 0.087 . 1 . . . . . 83 PRO CA . 27439 1 814 . 1 1 83 83 PRO CB C 13 31.893 0.000 . 1 . . . . . 83 PRO CB . 27439 1 815 . 1 1 83 83 PRO HA H 1 4.317 0.017 . 1 . . . . . 83 PRO HA . 27439 1 816 . 1 1 83 83 PRO HB2 H 1 1.810 0.016 . 2 . . . . . 83 PRO HB2 . 27439 1 817 . 1 1 83 83 PRO HB3 H 1 2.073 0.006 . 2 . . . . . 83 PRO HB3 . 27439 1 818 . 1 1 84 84 LEU C C 13 176.380 0.000 . 1 . . . . . 84 LEU C . 27439 1 819 . 1 1 84 84 LEU CA C 13 53.813 0.044 . 1 . . . . . 84 LEU CA . 27439 1 820 . 1 1 84 84 LEU CB C 13 43.322 0.068 . 1 . . . . . 84 LEU CB . 27439 1 821 . 1 1 84 84 LEU CG C 13 25.531 0.000 . 1 . . . . . 84 LEU CG . 27439 1 822 . 1 1 84 84 LEU H H 1 8.992 0.010 . 1 . . . . . 84 LEU H . 27439 1 823 . 1 1 84 84 LEU HA H 1 4.763 0.017 . 1 . . . . . 84 LEU HA . 27439 1 824 . 1 1 84 84 LEU HB2 H 1 2.307 0.006 . 2 . . . . . 84 LEU HB2 . 27439 1 825 . 1 1 84 84 LEU HB3 H 1 1.379 0.008 . 2 . . . . . 84 LEU HB3 . 27439 1 826 . 1 1 84 84 LEU N N 15 125.001 0.079 . 1 . . . . . 84 LEU N . 27439 1 827 . 1 1 85 85 CYS C C 13 176.753 0.000 . 1 . . . . . 85 CYS C . 27439 1 828 . 1 1 85 85 CYS CA C 13 54.234 0.113 . 1 . . . . . 85 CYS CA . 27439 1 829 . 1 1 85 85 CYS CB C 13 45.809 0.070 . 1 . . . . . 85 CYS CB . 27439 1 830 . 1 1 85 85 CYS H H 1 8.055 0.008 . 1 . . . . . 85 CYS H . 27439 1 831 . 1 1 85 85 CYS HA H 1 4.876 0.029 . 1 . . . . . 85 CYS HA . 27439 1 832 . 1 1 85 85 CYS HB2 H 1 2.797 0.020 . 2 . . . . . 85 CYS HB2 . 27439 1 833 . 1 1 85 85 CYS HB3 H 1 3.320 0.010 . 2 . . . . . 85 CYS HB3 . 27439 1 834 . 1 1 85 85 CYS N N 15 114.119 0.047 . 1 . . . . . 85 CYS N . 27439 1 835 . 1 1 86 86 GLY C C 13 173.409 0.000 . 1 . . . . . 86 GLY C . 27439 1 836 . 1 1 86 86 GLY CA C 13 47.464 0.129 . 1 . . . . . 86 GLY CA . 27439 1 837 . 1 1 86 86 GLY H H 1 8.070 0.017 . 1 . . . . . 86 GLY H . 27439 1 838 . 1 1 86 86 GLY HA2 H 1 3.676 0.012 . 2 . . . . . 86 GLY HA2 . 27439 1 839 . 1 1 86 86 GLY HA3 H 1 3.740 0.019 . 2 . . . . . 86 GLY HA3 . 27439 1 840 . 1 1 86 86 GLY N N 15 108.711 0.131 . 1 . . . . . 86 GLY N . 27439 1 841 . 1 1 87 87 LYS CA C 13 53.602 0.117 . 1 . . . . . 87 LYS CA . 27439 1 842 . 1 1 87 87 LYS CB C 13 34.088 0.102 . 1 . . . . . 87 LYS CB . 27439 1 843 . 1 1 87 87 LYS H H 1 6.067 0.031 . 1 . . . . . 87 LYS H . 27439 1 844 . 1 1 87 87 LYS HA H 1 4.484 0.015 . 1 . . . . . 87 LYS HA . 27439 1 845 . 1 1 87 87 LYS HB2 H 1 1.727 0.024 . 2 . . . . . 87 LYS HB2 . 27439 1 846 . 1 1 87 87 LYS HB3 H 1 1.718 0.025 . 2 . . . . . 87 LYS HB3 . 27439 1 847 . 1 1 87 87 LYS N N 15 115.254 0.076 . 1 . . . . . 87 LYS N . 27439 1 848 . 1 1 88 88 ARG C C 13 173.903 0.000 . 1 . . . . . 88 ARG C . 27439 1 849 . 1 1 88 88 ARG CA C 13 55.091 0.070 . 1 . . . . . 88 ARG CA . 27439 1 850 . 1 1 88 88 ARG CB C 13 33.052 0.113 . 1 . . . . . 88 ARG CB . 27439 1 851 . 1 1 88 88 ARG CD C 13 43.504 0.000 . 1 . . . . . 88 ARG CD . 27439 1 852 . 1 1 88 88 ARG CG C 13 28.002 0.000 . 1 . . . . . 88 ARG CG . 27439 1 853 . 1 1 88 88 ARG H H 1 8.256 0.010 . 1 . . . . . 88 ARG H . 27439 1 854 . 1 1 88 88 ARG HA H 1 5.249 0.008 . 1 . . . . . 88 ARG HA . 27439 1 855 . 1 1 88 88 ARG HB2 H 1 1.586 0.013 . 2 . . . . . 88 ARG HB2 . 27439 1 856 . 1 1 88 88 ARG HB3 H 1 1.589 0.014 . 2 . . . . . 88 ARG HB3 . 27439 1 857 . 1 1 88 88 ARG N N 15 122.617 0.095 . 1 . . . . . 88 ARG N . 27439 1 858 . 1 1 89 89 TYR C C 13 174.059 0.000 . 1 . . . . . 89 TYR C . 27439 1 859 . 1 1 89 89 TYR CA C 13 55.958 0.033 . 1 . . . . . 89 TYR CA . 27439 1 860 . 1 1 89 89 TYR CB C 13 40.779 0.129 . 1 . . . . . 89 TYR CB . 27439 1 861 . 1 1 89 89 TYR H H 1 8.977 0.015 . 1 . . . . . 89 TYR H . 27439 1 862 . 1 1 89 89 TYR HA H 1 4.971 0.022 . 1 . . . . . 89 TYR HA . 27439 1 863 . 1 1 89 89 TYR HB2 H 1 3.114 0.028 . 2 . . . . . 89 TYR HB2 . 27439 1 864 . 1 1 89 89 TYR HB3 H 1 2.899 0.033 . 2 . . . . . 89 TYR HB3 . 27439 1 865 . 1 1 89 89 TYR N N 15 126.679 0.085 . 1 . . . . . 89 TYR N . 27439 1 866 . 1 1 90 90 GLU C C 13 175.178 0.000 . 1 . . . . . 90 GLU C . 27439 1 867 . 1 1 90 90 GLU CA C 13 54.657 0.069 . 1 . . . . . 90 GLU CA . 27439 1 868 . 1 1 90 90 GLU CB C 13 32.856 0.143 . 1 . . . . . 90 GLU CB . 27439 1 869 . 1 1 90 90 GLU CG C 13 36.688 0.000 . 1 . . . . . 90 GLU CG . 27439 1 870 . 1 1 90 90 GLU H H 1 8.755 0.011 . 1 . . . . . 90 GLU H . 27439 1 871 . 1 1 90 90 GLU HA H 1 5.326 0.009 . 1 . . . . . 90 GLU HA . 27439 1 872 . 1 1 90 90 GLU HB2 H 1 1.919 0.032 . 2 . . . . . 90 GLU HB2 . 27439 1 873 . 1 1 90 90 GLU HB3 H 1 1.955 0.012 . 2 . . . . . 90 GLU HB3 . 27439 1 874 . 1 1 90 90 GLU HG2 H 1 1.751 0.015 . 1 . . . . . 90 GLU HG2 . 27439 1 875 . 1 1 90 90 GLU HG3 H 1 1.752 0.011 . 1 . . . . . 90 GLU HG3 . 27439 1 876 . 1 1 90 90 GLU N N 15 121.544 0.093 . 1 . . . . . 90 GLU N . 27439 1 877 . 1 1 91 91 LEU C C 13 174.382 0.000 . 1 . . . . . 91 LEU C . 27439 1 878 . 1 1 91 91 LEU CA C 13 53.412 0.031 . 1 . . . . . 91 LEU CA . 27439 1 879 . 1 1 91 91 LEU CB C 13 43.666 0.057 . 1 . . . . . 91 LEU CB . 27439 1 880 . 1 1 91 91 LEU CG C 13 25.907 0.000 . 1 . . . . . 91 LEU CG . 27439 1 881 . 1 1 91 91 LEU H H 1 9.688 0.019 . 1 . . . . . 91 LEU H . 27439 1 882 . 1 1 91 91 LEU HA H 1 5.483 0.012 . 1 . . . . . 91 LEU HA . 27439 1 883 . 1 1 91 91 LEU HB2 H 1 1.167 0.009 . 2 . . . . . 91 LEU HB2 . 27439 1 884 . 1 1 91 91 LEU HB3 H 1 1.962 0.013 . 2 . . . . . 91 LEU HB3 . 27439 1 885 . 1 1 91 91 LEU N N 15 129.772 0.101 . 1 . . . . . 91 LEU N . 27439 1 886 . 1 1 92 92 SER C C 13 173.231 0.000 . 1 . . . . . 92 SER C . 27439 1 887 . 1 1 92 92 SER CA C 13 54.945 0.090 . 1 . . . . . 92 SER CA . 27439 1 888 . 1 1 92 92 SER CB C 13 64.523 0.061 . 1 . . . . . 92 SER CB . 27439 1 889 . 1 1 92 92 SER H H 1 9.072 0.017 . 1 . . . . . 92 SER H . 27439 1 890 . 1 1 92 92 SER HA H 1 5.328 0.008 . 1 . . . . . 92 SER HA . 27439 1 891 . 1 1 92 92 SER HB2 H 1 3.614 0.007 . 2 . . . . . 92 SER HB2 . 27439 1 892 . 1 1 92 92 SER HB3 H 1 3.617 0.012 . 2 . . . . . 92 SER HB3 . 27439 1 893 . 1 1 92 92 SER N N 15 115.602 0.082 . 1 . . . . . 92 SER N . 27439 1 894 . 1 1 93 93 ALA CA C 13 51.802 0.145 . 1 . . . . . 93 ALA CA . 27439 1 895 . 1 1 93 93 ALA CB C 13 21.177 0.044 . 1 . . . . . 93 ALA CB . 27439 1 896 . 1 1 93 93 ALA H H 1 8.598 0.014 . 1 . . . . . 93 ALA H . 27439 1 897 . 1 1 93 93 ALA HA H 1 4.605 0.011 . 1 . . . . . 93 ALA HA . 27439 1 898 . 1 1 93 93 ALA HB1 H 1 1.416 0.011 . 1 . . . . . 93 ALA HB1 . 27439 1 899 . 1 1 93 93 ALA HB2 H 1 1.416 0.011 . 1 . . . . . 93 ALA HB2 . 27439 1 900 . 1 1 93 93 ALA HB3 H 1 1.416 0.011 . 1 . . . . . 93 ALA HB3 . 27439 1 901 . 1 1 93 93 ALA N N 15 126.780 0.091 . 1 . . . . . 93 ALA N . 27439 1 902 . 1 1 94 94 ARG C C 13 175.895 0.000 . 1 . . . . . 94 ARG C . 27439 1 903 . 1 1 94 94 ARG CA C 13 54.706 0.072 . 1 . . . . . 94 ARG CA . 27439 1 904 . 1 1 94 94 ARG CB C 13 33.156 0.139 . 1 . . . . . 94 ARG CB . 27439 1 905 . 1 1 94 94 ARG CD C 13 43.164 0.000 . 1 . . . . . 94 ARG CD . 27439 1 906 . 1 1 94 94 ARG CG C 13 27.341 0.000 . 1 . . . . . 94 ARG CG . 27439 1 907 . 1 1 94 94 ARG H H 1 8.174 0.011 . 1 . . . . . 94 ARG H . 27439 1 908 . 1 1 94 94 ARG HA H 1 4.778 0.012 . 1 . . . . . 94 ARG HA . 27439 1 909 . 1 1 94 94 ARG HB2 H 1 2.315 0.010 . 2 . . . . . 94 ARG HB2 . 27439 1 910 . 1 1 94 94 ARG HB3 H 1 2.203 0.006 . 2 . . . . . 94 ARG HB3 . 27439 1 911 . 1 1 94 94 ARG N N 15 123.830 0.071 . 1 . . . . . 94 ARG N . 27439 1 912 . 1 1 95 95 MET C C 13 176.880 0.000 . 1 . . . . . 95 MET C . 27439 1 913 . 1 1 95 95 MET CA C 13 57.244 0.067 . 1 . . . . . 95 MET CA . 27439 1 914 . 1 1 95 95 MET CB C 13 30.279 0.121 . 1 . . . . . 95 MET CB . 27439 1 915 . 1 1 95 95 MET CG C 13 31.819 0.000 . 1 . . . . . 95 MET CG . 27439 1 916 . 1 1 95 95 MET H H 1 9.363 0.011 . 1 . . . . . 95 MET H . 27439 1 917 . 1 1 95 95 MET HA H 1 4.090 0.006 . 1 . . . . . 95 MET HA . 27439 1 918 . 1 1 95 95 MET HB2 H 1 1.974 0.006 . 2 . . . . . 95 MET HB2 . 27439 1 919 . 1 1 95 95 MET HB3 H 1 2.130 0.013 . 2 . . . . . 95 MET HB3 . 27439 1 920 . 1 1 95 95 MET HG2 H 1 2.633 0.006 . 2 . . . . . 95 MET HG2 . 27439 1 921 . 1 1 95 95 MET HG3 H 1 2.677 0.013 . 2 . . . . . 95 MET HG3 . 27439 1 922 . 1 1 95 95 MET N N 15 118.344 0.061 . 1 . . . . . 95 MET N . 27439 1 923 . 1 1 96 96 ASP C C 13 176.575 0.000 . 1 . . . . . 96 ASP C . 27439 1 924 . 1 1 96 96 ASP CA C 13 54.668 0.037 . 1 . . . . . 96 ASP CA . 27439 1 925 . 1 1 96 96 ASP CB C 13 39.864 0.051 . 1 . . . . . 96 ASP CB . 27439 1 926 . 1 1 96 96 ASP H H 1 9.536 0.013 . 1 . . . . . 96 ASP H . 27439 1 927 . 1 1 96 96 ASP HA H 1 4.754 0.033 . 1 . . . . . 96 ASP HA . 27439 1 928 . 1 1 96 96 ASP HB2 H 1 2.642 0.009 . 2 . . . . . 96 ASP HB2 . 27439 1 929 . 1 1 96 96 ASP HB3 H 1 2.756 0.009 . 2 . . . . . 96 ASP HB3 . 27439 1 930 . 1 1 96 96 ASP N N 15 111.181 0.070 . 1 . . . . . 96 ASP N . 27439 1 931 . 1 1 97 97 ALA C C 13 175.446 0.000 . 1 . . . . . 97 ALA C . 27439 1 932 . 1 1 97 97 ALA CA C 13 51.565 0.133 . 1 . . . . . 97 ALA CA . 27439 1 933 . 1 1 97 97 ALA CB C 13 20.747 0.064 . 1 . . . . . 97 ALA CB . 27439 1 934 . 1 1 97 97 ALA H H 1 7.487 0.017 . 1 . . . . . 97 ALA H . 27439 1 935 . 1 1 97 97 ALA HA H 1 4.010 0.033 . 1 . . . . . 97 ALA HA . 27439 1 936 . 1 1 97 97 ALA HB1 H 1 0.973 0.012 . 1 . . . . . 97 ALA HB1 . 27439 1 937 . 1 1 97 97 ALA HB2 H 1 0.973 0.012 . 1 . . . . . 97 ALA HB2 . 27439 1 938 . 1 1 97 97 ALA HB3 H 1 0.973 0.012 . 1 . . . . . 97 ALA HB3 . 27439 1 939 . 1 1 97 97 ALA N N 15 120.578 0.045 . 1 . . . . . 97 ALA N . 27439 1 940 . 1 1 98 98 ILE C C 13 175.315 0.000 . 1 . . . . . 98 ILE C . 27439 1 941 . 1 1 98 98 ILE CA C 13 58.184 0.053 . 1 . . . . . 98 ILE CA . 27439 1 942 . 1 1 98 98 ILE CB C 13 36.619 0.117 . 1 . . . . . 98 ILE CB . 27439 1 943 . 1 1 98 98 ILE CD1 C 13 9.449 0.144 . 1 . . . . . 98 ILE CD1 . 27439 1 944 . 1 1 98 98 ILE CG1 C 13 26.681 0.029 . 1 . . . . . 98 ILE CG1 . 27439 1 945 . 1 1 98 98 ILE CG2 C 13 17.787 0.071 . 1 . . . . . 98 ILE CG2 . 27439 1 946 . 1 1 98 98 ILE H H 1 7.578 0.014 . 1 . . . . . 98 ILE H . 27439 1 947 . 1 1 98 98 ILE HA H 1 4.598 0.014 . 1 . . . . . 98 ILE HA . 27439 1 948 . 1 1 98 98 ILE HB H 1 1.490 0.018 . 1 . . . . . 98 ILE HB . 27439 1 949 . 1 1 98 98 ILE HD11 H 1 -0.240 0.010 . 1 . . . . . 98 ILE HD11 . 27439 1 950 . 1 1 98 98 ILE HD12 H 1 -0.240 0.010 . 1 . . . . . 98 ILE HD12 . 27439 1 951 . 1 1 98 98 ILE HD13 H 1 -0.240 0.010 . 1 . . . . . 98 ILE HD13 . 27439 1 952 . 1 1 98 98 ILE HG12 H 1 0.680 0.021 . 2 . . . . . 98 ILE HG12 . 27439 1 953 . 1 1 98 98 ILE HG13 H 1 0.574 0.017 . 2 . . . . . 98 ILE HG13 . 27439 1 954 . 1 1 98 98 ILE HG21 H 1 0.557 0.012 . 1 . . . . . 98 ILE HG21 . 27439 1 955 . 1 1 98 98 ILE HG22 H 1 0.557 0.012 . 1 . . . . . 98 ILE HG22 . 27439 1 956 . 1 1 98 98 ILE HG23 H 1 0.557 0.012 . 1 . . . . . 98 ILE HG23 . 27439 1 957 . 1 1 98 98 ILE N N 15 116.429 0.072 . 1 . . . . . 98 ILE N . 27439 1 958 . 1 1 99 99 TYR C C 13 174.694 0.000 . 1 . . . . . 99 TYR C . 27439 1 959 . 1 1 99 99 TYR CA C 13 56.990 0.085 . 1 . . . . . 99 TYR CA . 27439 1 960 . 1 1 99 99 TYR CB C 13 40.241 0.042 . 1 . . . . . 99 TYR CB . 27439 1 961 . 1 1 99 99 TYR H H 1 9.512 0.015 . 1 . . . . . 99 TYR H . 27439 1 962 . 1 1 99 99 TYR HA H 1 4.935 0.012 . 1 . . . . . 99 TYR HA . 27439 1 963 . 1 1 99 99 TYR HB2 H 1 3.066 0.022 . 2 . . . . . 99 TYR HB2 . 27439 1 964 . 1 1 99 99 TYR HB3 H 1 2.418 0.012 . 2 . . . . . 99 TYR HB3 . 27439 1 965 . 1 1 99 99 TYR N N 15 129.319 0.074 . 1 . . . . . 99 TYR N . 27439 1 966 . 1 1 100 100 PHE C C 13 174.091 0.000 . 1 . . . . . 100 PHE C . 27439 1 967 . 1 1 100 100 PHE CA C 13 55.268 0.056 . 1 . . . . . 100 PHE CA . 27439 1 968 . 1 1 100 100 PHE CB C 13 44.700 0.118 . 1 . . . . . 100 PHE CB . 27439 1 969 . 1 1 100 100 PHE H H 1 9.334 0.014 . 1 . . . . . 100 PHE H . 27439 1 970 . 1 1 100 100 PHE HA H 1 5.806 0.014 . 1 . . . . . 100 PHE HA . 27439 1 971 . 1 1 100 100 PHE HB2 H 1 2.959 0.017 . 2 . . . . . 100 PHE HB2 . 27439 1 972 . 1 1 100 100 PHE HB3 H 1 2.960 0.017 . 2 . . . . . 100 PHE HB3 . 27439 1 973 . 1 1 100 100 PHE N N 15 122.573 0.082 . 1 . . . . . 100 PHE N . 27439 1 974 . 1 1 101 101 LYS C C 13 173.469 0.000 . 1 . . . . . 101 LYS C . 27439 1 975 . 1 1 101 101 LYS CA C 13 55.386 0.000 . 1 . . . . . 101 LYS CA . 27439 1 976 . 1 1 101 101 LYS CB C 13 37.550 0.094 . 1 . . . . . 101 LYS CB . 27439 1 977 . 1 1 101 101 LYS CD C 13 29.689 0.000 . 1 . . . . . 101 LYS CD . 27439 1 978 . 1 1 101 101 LYS CG C 13 24.654 0.000 . 1 . . . . . 101 LYS CG . 27439 1 979 . 1 1 101 101 LYS H H 1 8.872 0.016 . 1 . . . . . 101 LYS H . 27439 1 980 . 1 1 101 101 LYS HA H 1 4.495 0.016 . 1 . . . . . 101 LYS HA . 27439 1 981 . 1 1 101 101 LYS HB2 H 1 1.762 0.015 . 2 . . . . . 101 LYS HB2 . 27439 1 982 . 1 1 101 101 LYS HB3 H 1 1.529 0.009 . 2 . . . . . 101 LYS HB3 . 27439 1 983 . 1 1 101 101 LYS N N 15 130.268 0.060 . 1 . . . . . 101 LYS N . 27439 1 984 . 1 1 102 102 MET CA C 13 54.590 0.014 . 1 . . . . . 102 MET CA . 27439 1 985 . 1 1 102 102 MET CB C 13 34.060 0.000 . 1 . . . . . 102 MET CB . 27439 1 986 . 1 1 102 102 MET H H 1 8.323 0.015 . 1 . . . . . 102 MET H . 27439 1 987 . 1 1 102 102 MET HA H 1 4.728 0.014 . 1 . . . . . 102 MET HA . 27439 1 988 . 1 1 102 102 MET HB2 H 1 2.052 0.010 . 2 . . . . . 102 MET HB2 . 27439 1 989 . 1 1 102 102 MET HB3 H 1 1.806 0.013 . 2 . . . . . 102 MET HB3 . 27439 1 990 . 1 1 102 102 MET HG2 H 1 2.230 0.000 . 2 . . . . . 102 MET HG2 . 27439 1 991 . 1 1 102 102 MET HG3 H 1 2.373 0.008 . 2 . . . . . 102 MET HG3 . 27439 1 992 . 1 1 102 102 MET N N 15 123.413 0.086 . 1 . . . . . 102 MET N . 27439 1 993 . 1 1 103 103 ASP C C 13 175.085 0.000 . 1 . . . . . 103 ASP C . 27439 1 994 . 1 1 103 103 ASP CA C 13 54.626 0.109 . 1 . . . . . 103 ASP CA . 27439 1 995 . 1 1 103 103 ASP CB C 13 39.592 0.082 . 1 . . . . . 103 ASP CB . 27439 1 996 . 1 1 103 103 ASP H H 1 8.266 0.022 . 1 . . . . . 103 ASP H . 27439 1 997 . 1 1 103 103 ASP HA H 1 4.403 0.018 . 1 . . . . . 103 ASP HA . 27439 1 998 . 1 1 103 103 ASP HB2 H 1 2.961 0.012 . 2 . . . . . 103 ASP HB2 . 27439 1 999 . 1 1 103 103 ASP HB3 H 1 2.955 0.011 . 2 . . . . . 103 ASP HB3 . 27439 1 1000 . 1 1 103 103 ASP N N 15 122.596 0.096 . 1 . . . . . 103 ASP N . 27439 1 1001 . 1 1 104 104 GLU C C 13 173.456 0.000 . 1 . . . . . 104 GLU C . 27439 1 1002 . 1 1 104 104 GLU CA C 13 56.972 0.088 . 1 . . . . . 104 GLU CA . 27439 1 1003 . 1 1 104 104 GLU CB C 13 28.654 0.052 . 1 . . . . . 104 GLU CB . 27439 1 1004 . 1 1 104 104 GLU CG C 13 36.035 0.066 . 1 . . . . . 104 GLU CG . 27439 1 1005 . 1 1 104 104 GLU H H 1 8.743 0.013 . 1 . . . . . 104 GLU H . 27439 1 1006 . 1 1 104 104 GLU HA H 1 4.260 0.009 . 1 . . . . . 104 GLU HA . 27439 1 1007 . 1 1 104 104 GLU HB2 H 1 2.196 0.011 . 2 . . . . . 104 GLU HB2 . 27439 1 1008 . 1 1 104 104 GLU HB3 H 1 1.963 0.016 . 2 . . . . . 104 GLU HB3 . 27439 1 1009 . 1 1 104 104 GLU HG2 H 1 2.325 0.011 . 1 . . . . . 104 GLU HG2 . 27439 1 1010 . 1 1 104 104 GLU HG3 H 1 2.325 0.011 . 1 . . . . . 104 GLU HG3 . 27439 1 1011 . 1 1 104 104 GLU N N 15 117.734 0.087 . 1 . . . . . 104 GLU N . 27439 1 1012 . 1 1 105 105 ARG CA C 13 55.320 0.000 . 1 . . . . . 105 ARG CA . 27439 1 1013 . 1 1 105 105 ARG CB C 13 28.168 0.000 . 1 . . . . . 105 ARG CB . 27439 1 1014 . 1 1 105 105 ARG H H 1 8.182 0.010 . 1 . . . . . 105 ARG H . 27439 1 1015 . 1 1 105 105 ARG HA H 1 4.447 0.000 . 1 . . . . . 105 ARG HA . 27439 1 1016 . 1 1 105 105 ARG HB2 H 1 2.001 0.003 . 2 . . . . . 105 ARG HB2 . 27439 1 1017 . 1 1 105 105 ARG HB3 H 1 1.934 0.000 . 2 . . . . . 105 ARG HB3 . 27439 1 1018 . 1 1 105 105 ARG HD2 H 1 3.229 0.000 . 1 . . . . . 105 ARG HD2 . 27439 1 1019 . 1 1 105 105 ARG HD3 H 1 3.229 0.000 . 1 . . . . . 105 ARG HD3 . 27439 1 1020 . 1 1 105 105 ARG HG2 H 1 1.807 0.002 . 1 . . . . . 105 ARG HG2 . 27439 1 1021 . 1 1 105 105 ARG HG3 H 1 1.807 0.002 . 1 . . . . . 105 ARG HG3 . 27439 1 1022 . 1 1 105 105 ARG N N 15 122.139 0.078 . 1 . . . . . 105 ARG N . 27439 1 1023 . 1 1 107 107 PRO C C 13 176.141 0.000 . 1 . . . . . 107 PRO C . 27439 1 1024 . 1 1 107 107 PRO CA C 13 62.637 0.046 . 1 . . . . . 107 PRO CA . 27439 1 1025 . 1 1 107 107 PRO CB C 13 32.712 0.024 . 1 . . . . . 107 PRO CB . 27439 1 1026 . 1 1 107 107 PRO HA H 1 4.602 0.010 . 1 . . . . . 107 PRO HA . 27439 1 1027 . 1 1 107 107 PRO HB2 H 1 1.872 0.011 . 2 . . . . . 107 PRO HB2 . 27439 1 1028 . 1 1 107 107 PRO HB3 H 1 2.331 0.022 . 2 . . . . . 107 PRO HB3 . 27439 1 1029 . 1 1 108 108 GLN CA C 13 52.009 0.075 . 1 . . . . . 108 GLN CA . 27439 1 1030 . 1 1 108 108 GLN CB C 13 31.132 0.089 . 1 . . . . . 108 GLN CB . 27439 1 1031 . 1 1 108 108 GLN CG C 13 33.223 0.092 . 1 . . . . . 108 GLN CG . 27439 1 1032 . 1 1 108 108 GLN H H 1 8.649 0.011 . 1 . . . . . 108 GLN H . 27439 1 1033 . 1 1 108 108 GLN HA H 1 4.997 0.012 . 1 . . . . . 108 GLN HA . 27439 1 1034 . 1 1 108 108 GLN HB2 H 1 1.961 0.051 . 2 . . . . . 108 GLN HB2 . 27439 1 1035 . 1 1 108 108 GLN HB3 H 1 2.169 0.008 . 2 . . . . . 108 GLN HB3 . 27439 1 1036 . 1 1 108 108 GLN HG2 H 1 2.532 0.020 . 2 . . . . . 108 GLN HG2 . 27439 1 1037 . 1 1 108 108 GLN HG3 H 1 2.409 0.022 . 2 . . . . . 108 GLN HG3 . 27439 1 1038 . 1 1 108 108 GLN N N 15 120.522 0.084 . 1 . . . . . 108 GLN N . 27439 1 1039 . 1 1 109 109 PRO C C 13 173.466 0.000 . 1 . . . . . 109 PRO C . 27439 1 1040 . 1 1 109 109 PRO CA C 13 62.746 0.048 . 1 . . . . . 109 PRO CA . 27439 1 1041 . 1 1 109 109 PRO CB C 13 30.463 0.093 . 1 . . . . . 109 PRO CB . 27439 1 1042 . 1 1 109 109 PRO HA H 1 3.237 0.014 . 1 . . . . . 109 PRO HA . 27439 1 1043 . 1 1 109 109 PRO HB2 H 1 1.168 0.007 . 2 . . . . . 109 PRO HB2 . 27439 1 1044 . 1 1 109 109 PRO HB3 H 1 1.448 0.036 . 2 . . . . . 109 PRO HB3 . 27439 1 1045 . 1 1 110 110 LEU C C 13 175.487 0.000 . 1 . . . . . 110 LEU C . 27439 1 1046 . 1 1 110 110 LEU CA C 13 55.010 0.046 . 1 . . . . . 110 LEU CA . 27439 1 1047 . 1 1 110 110 LEU CB C 13 43.703 0.038 . 1 . . . . . 110 LEU CB . 27439 1 1048 . 1 1 110 110 LEU CG C 13 24.034 0.000 . 1 . . . . . 110 LEU CG . 27439 1 1049 . 1 1 110 110 LEU H H 1 8.911 0.013 . 1 . . . . . 110 LEU H . 27439 1 1050 . 1 1 110 110 LEU HA H 1 4.439 0.019 . 1 . . . . . 110 LEU HA . 27439 1 1051 . 1 1 110 110 LEU HB2 H 1 1.480 0.021 . 2 . . . . . 110 LEU HB2 . 27439 1 1052 . 1 1 110 110 LEU HB3 H 1 1.355 0.009 . 2 . . . . . 110 LEU HB3 . 27439 1 1053 . 1 1 110 110 LEU N N 15 125.987 0.056 . 1 . . . . . 110 LEU N . 27439 1 1054 . 1 1 111 111 ASN C C 13 173.572 0.000 . 1 . . . . . 111 ASN C . 27439 1 1055 . 1 1 111 111 ASN CA C 13 52.618 0.026 . 1 . . . . . 111 ASN CA . 27439 1 1056 . 1 1 111 111 ASN CB C 13 41.716 0.074 . 1 . . . . . 111 ASN CB . 27439 1 1057 . 1 1 111 111 ASN H H 1 6.881 0.015 . 1 . . . . . 111 ASN H . 27439 1 1058 . 1 1 111 111 ASN HA H 1 4.757 0.015 . 1 . . . . . 111 ASN HA . 27439 1 1059 . 1 1 111 111 ASN HB2 H 1 2.123 0.012 . 2 . . . . . 111 ASN HB2 . 27439 1 1060 . 1 1 111 111 ASN HB3 H 1 2.668 0.012 . 2 . . . . . 111 ASN HB3 . 27439 1 1061 . 1 1 111 111 ASN N N 15 113.779 0.062 . 1 . . . . . 111 ASN N . 27439 1 1062 . 1 1 112 112 LYS C C 13 176.106 0.000 . 1 . . . . . 112 LYS C . 27439 1 1063 . 1 1 112 112 LYS CA C 13 55.290 0.092 . 1 . . . . . 112 LYS CA . 27439 1 1064 . 1 1 112 112 LYS CB C 13 33.851 0.085 . 1 . . . . . 112 LYS CB . 27439 1 1065 . 1 1 112 112 LYS CG C 13 24.964 0.000 . 1 . . . . . 112 LYS CG . 27439 1 1066 . 1 1 112 112 LYS H H 1 8.253 0.016 . 1 . . . . . 112 LYS H . 27439 1 1067 . 1 1 112 112 LYS HA H 1 4.225 0.020 . 1 . . . . . 112 LYS HA . 27439 1 1068 . 1 1 112 112 LYS HB2 H 1 2.015 0.018 . 2 . . . . . 112 LYS HB2 . 27439 1 1069 . 1 1 112 112 LYS HB3 H 1 1.718 0.008 . 2 . . . . . 112 LYS HB3 . 27439 1 1070 . 1 1 112 112 LYS N N 15 120.615 0.093 . 1 . . . . . 112 LYS N . 27439 1 1071 . 1 1 113 113 TRP C C 13 176.015 0.000 . 1 . . . . . 113 TRP C . 27439 1 1072 . 1 1 113 113 TRP CA C 13 57.106 0.082 . 1 . . . . . 113 TRP CA . 27439 1 1073 . 1 1 113 113 TRP CB C 13 30.466 0.089 . 1 . . . . . 113 TRP CB . 27439 1 1074 . 1 1 113 113 TRP H H 1 7.200 0.021 . 1 . . . . . 113 TRP H . 27439 1 1075 . 1 1 113 113 TRP HA H 1 4.207 0.023 . 1 . . . . . 113 TRP HA . 27439 1 1076 . 1 1 113 113 TRP HB2 H 1 2.985 0.023 . 2 . . . . . 113 TRP HB2 . 27439 1 1077 . 1 1 113 113 TRP HB3 H 1 3.264 0.014 . 2 . . . . . 113 TRP HB3 . 27439 1 1078 . 1 1 113 113 TRP HE1 H 1 10.372 0.012 . 1 . . . . . 113 TRP HE1 . 27439 1 1079 . 1 1 113 113 TRP N N 15 120.100 2.835 . 1 . . . . . 113 TRP N . 27439 1 1080 . 1 1 114 114 ARG C C 13 173.480 0.000 . 1 . . . . . 114 ARG C . 27439 1 1081 . 1 1 114 114 ARG CA C 13 54.807 0.054 . 1 . . . . . 114 ARG CA . 27439 1 1082 . 1 1 114 114 ARG CB C 13 32.625 0.087 . 1 . . . . . 114 ARG CB . 27439 1 1083 . 1 1 114 114 ARG CD C 13 43.843 0.000 . 1 . . . . . 114 ARG CD . 27439 1 1084 . 1 1 114 114 ARG CG C 13 26.212 0.000 . 1 . . . . . 114 ARG CG . 27439 1 1085 . 1 1 114 114 ARG H H 1 9.218 0.010 . 1 . . . . . 114 ARG H . 27439 1 1086 . 1 1 114 114 ARG HA H 1 4.783 0.010 . 1 . . . . . 114 ARG HA . 27439 1 1087 . 1 1 114 114 ARG HB2 H 1 1.753 0.013 . 2 . . . . . 114 ARG HB2 . 27439 1 1088 . 1 1 114 114 ARG HB3 H 1 1.182 0.011 . 2 . . . . . 114 ARG HB3 . 27439 1 1089 . 1 1 114 114 ARG N N 15 123.509 0.034 . 1 . . . . . 114 ARG N . 27439 1 1090 . 1 1 115 115 SER CA C 13 59.677 0.065 . 1 . . . . . 115 SER CA . 27439 1 1091 . 1 1 115 115 SER CB C 13 65.930 0.057 . 1 . . . . . 115 SER CB . 27439 1 1092 . 1 1 115 115 SER H H 1 7.688 0.014 . 1 . . . . . 115 SER H . 27439 1 1093 . 1 1 115 115 SER HA H 1 4.775 0.022 . 1 . . . . . 115 SER HA . 27439 1 1094 . 1 1 115 115 SER HB2 H 1 3.655 0.017 . 2 . . . . . 115 SER HB2 . 27439 1 1095 . 1 1 115 115 SER HB3 H 1 3.681 0.035 . 2 . . . . . 115 SER HB3 . 27439 1 1096 . 1 1 115 115 SER N N 15 115.707 0.082 . 1 . . . . . 115 SER N . 27439 1 stop_ save_