data_26921 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26921 _Entry.Title ; Chemical Shift Assignments of the Connexin37 Carboxyl Terminal Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-21 _Entry.Accession_date 2016-10-21 _Entry.Last_release_date 2016-10-24 _Entry.Original_release_date 2016-10-24 _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 Hanjun Li . . . . 26921 2 Gaelle Spagnol . . . . 26921 3 Tasha Nelson . K. . . 26921 4 Janis Burt . M. . . 26921 5 Paul Sorgen . L. . . 26921 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26921 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26921 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 397 26921 '15N chemical shifts' 88 26921 '1H chemical shifts' 632 26921 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 . . 2018-04-13 2016-10-21 update BMRB 'update entry citation' 26921 1 . . 2017-05-23 2016-10-21 original author 'original release' 26921 stop_ save_ ############### # Citations # ############### save_Cx37CT_Assignments _Citation.Sf_category citations _Citation.Sf_framecode Cx37CT_Assignments _Citation.Entry_ID 26921 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28251507 _Citation.Full_citation . _Citation.Title ; Chemical shift assignments of the connexin37 carboxyl terminal domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _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 137 _Citation.Page_last 141 _Citation.Year 2017 _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 Hanjun Li . . . . 26921 1 2 Gaelle Spagnol . . . . 26921 1 3 Tasha Pontifex . K. . . 26921 1 4 Janis Burt . M. . . 26921 1 5 Paul Spagnol . L. . . 26921 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cx37 26921 1 'carboxyl terminus' 26921 1 'gap junction' 26921 1 'intrinsically disordered protein' 26921 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26921 _Assembly.ID 1 _Assembly.Name 'Cx37CT Domain' _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 11257.41 _Assembly.Enzyme_commission_number . _Assembly.Details 'C-Terminal Domain of Connexin37' _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 'Cx37CT Domain' 1 $Cx37CT_Domain A . yes 'intrinsically disordered' no no . . . 26921 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cx37CT_Domain _Entity.Sf_category entity _Entity.Sf_framecode Cx37CT_Domain _Entity.Entry_ID 26921 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cx37CT_Domain _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 ; GSCRCVSREIKARRDHDARP AQGSASDPYPEQVFFYLPMG EGPSSPPCPTYNGLSSTEQN WANLTTEERLTSSRPPPFVN TAPQGGRKSPSRPNSSASKK QYV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1 and 2 represent part of the remaining non-native affinity tag. This is the C-terminal cytoplasmic domain of a membrane protein. ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-Terminal Domain of Connexin37' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11257.41 _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 GLY . 26921 1 2 2 SER . 26921 1 3 3 CYS . 26921 1 4 4 ARG . 26921 1 5 5 CYS . 26921 1 6 6 VAL . 26921 1 7 7 SER . 26921 1 8 8 ARG . 26921 1 9 9 GLU . 26921 1 10 10 ILE . 26921 1 11 11 LYS . 26921 1 12 12 ALA . 26921 1 13 13 ARG . 26921 1 14 14 ARG . 26921 1 15 15 ASP . 26921 1 16 16 HIS . 26921 1 17 17 ASP . 26921 1 18 18 ALA . 26921 1 19 19 ARG . 26921 1 20 20 PRO . 26921 1 21 21 ALA . 26921 1 22 22 GLN . 26921 1 23 23 GLY . 26921 1 24 24 SER . 26921 1 25 25 ALA . 26921 1 26 26 SER . 26921 1 27 27 ASP . 26921 1 28 28 PRO . 26921 1 29 29 TYR . 26921 1 30 30 PRO . 26921 1 31 31 GLU . 26921 1 32 32 GLN . 26921 1 33 33 VAL . 26921 1 34 34 PHE . 26921 1 35 35 PHE . 26921 1 36 36 TYR . 26921 1 37 37 LEU . 26921 1 38 38 PRO . 26921 1 39 39 MET . 26921 1 40 40 GLY . 26921 1 41 41 GLU . 26921 1 42 42 GLY . 26921 1 43 43 PRO . 26921 1 44 44 SER . 26921 1 45 45 SER . 26921 1 46 46 PRO . 26921 1 47 47 PRO . 26921 1 48 48 CYS . 26921 1 49 49 PRO . 26921 1 50 50 THR . 26921 1 51 51 TYR . 26921 1 52 52 ASN . 26921 1 53 53 GLY . 26921 1 54 54 LEU . 26921 1 55 55 SER . 26921 1 56 56 SER . 26921 1 57 57 THR . 26921 1 58 58 GLU . 26921 1 59 59 GLN . 26921 1 60 60 ASN . 26921 1 61 61 TRP . 26921 1 62 62 ALA . 26921 1 63 63 ASN . 26921 1 64 64 LEU . 26921 1 65 65 THR . 26921 1 66 66 THR . 26921 1 67 67 GLU . 26921 1 68 68 GLU . 26921 1 69 69 ARG . 26921 1 70 70 LEU . 26921 1 71 71 THR . 26921 1 72 72 SER . 26921 1 73 73 SER . 26921 1 74 74 ARG . 26921 1 75 75 PRO . 26921 1 76 76 PRO . 26921 1 77 77 PRO . 26921 1 78 78 PHE . 26921 1 79 79 VAL . 26921 1 80 80 ASN . 26921 1 81 81 THR . 26921 1 82 82 ALA . 26921 1 83 83 PRO . 26921 1 84 84 GLN . 26921 1 85 85 GLY . 26921 1 86 86 GLY . 26921 1 87 87 ARG . 26921 1 88 88 LYS . 26921 1 89 89 SER . 26921 1 90 90 PRO . 26921 1 91 91 SER . 26921 1 92 92 ARG . 26921 1 93 93 PRO . 26921 1 94 94 ASN . 26921 1 95 95 SER . 26921 1 96 96 SER . 26921 1 97 97 ALA . 26921 1 98 98 SER . 26921 1 99 99 LYS . 26921 1 100 100 LYS . 26921 1 101 101 GLN . 26921 1 102 102 TYR . 26921 1 103 103 VAL . 26921 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26921 1 . SER 2 2 26921 1 . CYS 3 3 26921 1 . ARG 4 4 26921 1 . CYS 5 5 26921 1 . VAL 6 6 26921 1 . SER 7 7 26921 1 . ARG 8 8 26921 1 . GLU 9 9 26921 1 . ILE 10 10 26921 1 . LYS 11 11 26921 1 . ALA 12 12 26921 1 . ARG 13 13 26921 1 . ARG 14 14 26921 1 . ASP 15 15 26921 1 . HIS 16 16 26921 1 . ASP 17 17 26921 1 . ALA 18 18 26921 1 . ARG 19 19 26921 1 . PRO 20 20 26921 1 . ALA 21 21 26921 1 . GLN 22 22 26921 1 . GLY 23 23 26921 1 . SER 24 24 26921 1 . ALA 25 25 26921 1 . SER 26 26 26921 1 . ASP 27 27 26921 1 . PRO 28 28 26921 1 . TYR 29 29 26921 1 . PRO 30 30 26921 1 . GLU 31 31 26921 1 . GLN 32 32 26921 1 . VAL 33 33 26921 1 . PHE 34 34 26921 1 . PHE 35 35 26921 1 . TYR 36 36 26921 1 . LEU 37 37 26921 1 . PRO 38 38 26921 1 . MET 39 39 26921 1 . GLY 40 40 26921 1 . GLU 41 41 26921 1 . GLY 42 42 26921 1 . PRO 43 43 26921 1 . SER 44 44 26921 1 . SER 45 45 26921 1 . PRO 46 46 26921 1 . PRO 47 47 26921 1 . CYS 48 48 26921 1 . PRO 49 49 26921 1 . THR 50 50 26921 1 . TYR 51 51 26921 1 . ASN 52 52 26921 1 . GLY 53 53 26921 1 . LEU 54 54 26921 1 . SER 55 55 26921 1 . SER 56 56 26921 1 . THR 57 57 26921 1 . GLU 58 58 26921 1 . GLN 59 59 26921 1 . ASN 60 60 26921 1 . TRP 61 61 26921 1 . ALA 62 62 26921 1 . ASN 63 63 26921 1 . LEU 64 64 26921 1 . THR 65 65 26921 1 . THR 66 66 26921 1 . GLU 67 67 26921 1 . GLU 68 68 26921 1 . ARG 69 69 26921 1 . LEU 70 70 26921 1 . THR 71 71 26921 1 . SER 72 72 26921 1 . SER 73 73 26921 1 . ARG 74 74 26921 1 . PRO 75 75 26921 1 . PRO 76 76 26921 1 . PRO 77 77 26921 1 . PHE 78 78 26921 1 . VAL 79 79 26921 1 . ASN 80 80 26921 1 . THR 81 81 26921 1 . ALA 82 82 26921 1 . PRO 83 83 26921 1 . GLN 84 84 26921 1 . GLY 85 85 26921 1 . GLY 86 86 26921 1 . ARG 87 87 26921 1 . LYS 88 88 26921 1 . SER 89 89 26921 1 . PRO 90 90 26921 1 . SER 91 91 26921 1 . ARG 92 92 26921 1 . PRO 93 93 26921 1 . ASN 94 94 26921 1 . SER 95 95 26921 1 . SER 96 96 26921 1 . ALA 97 97 26921 1 . SER 98 98 26921 1 . LYS 99 99 26921 1 . LYS 100 100 26921 1 . GLN 101 101 26921 1 . TYR 102 102 26921 1 . VAL 103 103 26921 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 26921 _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 $Cx37CT_Domain . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . gja4 . 26921 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 26921 _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 $Cx37CT_Domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pGEX-KT . . . 26921 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26921 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 5.8' _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 'Cx37CT Domain' '[U-99% 13C; U-99% 15N]' . . 1 $Cx37CT_Domain . . 650 . . uM . . . . 26921 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26921 1 3 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 26921 1 4 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 26921 1 5 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 26921 1 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 26921 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26921 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26921 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26921 _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' 0.154 . M 26921 1 pH 5.8 . pH 26921 1 pressure 1 . atm 26921 1 temperature 280 . K 26921 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26921 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version '5.2.2 01' _Software.DOI . _Software.Details 'Visualization and analysis of processed NMR data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26921 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26921 1 'data analysis' 26921 1 'peak picking' 26921 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26921 _Software.ID 2 _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' . . 26921 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26921 2 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 26921 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'z-axis PFG "inverse" triple-resonance cold probe' _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 26921 _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 . 600 'z-axis PFG "inverse" triple-resonance cold probe' . . 26921 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 26921 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26921 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26921 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26921 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26921 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26921 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26921 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26921 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26921 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26921 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 26921 _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 45.907 internal indirect 0.251449530 . . . . . 26921 1 H 1 water protons . . . . ppm 4.945 internal direct 1.000000000 . . . . . 26921 1 N 15 water protons . . . . ppm 120.25 internal indirect 0.101329118 . . . . . 26921 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_assignments_cx37 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_cx37 _Assigned_chem_shift_list.Entry_ID 26921 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26921 1 2 '3D CBCA(CO)NH' . . . 26921 1 3 '3D HNCACB' . . . 26921 1 4 '3D HNCO' . . . 26921 1 5 '3D HN(CA)CO' . . . 26921 1 6 '3D 1H-15N TOCSY' . . . 26921 1 7 '3D 1H-15N NOESY' . . . 26921 1 9 '3D HCCH-TOCSY' . . . 26921 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 26921 1 2 $NMRPipe . . 26921 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 GLY C C 13 170.140 0.5 . 1 . . . . . 1 GLY C . 26921 1 2 . 1 1 1 1 GLY CA C 13 43.300 0.5 . 1 . . . . . 1 GLY CA . 26921 1 3 . 1 1 2 2 SER H H 1 8.740 0.05 . 1 . . . . . 2 SER HN . 26921 1 4 . 1 1 2 2 SER HA H 1 4.510 0.05 . 1 . . . . . 2 SER HA . 26921 1 5 . 1 1 2 2 SER HB2 H 1 3.820 0.05 . 2 . . . . . 2 SER HB2 . 26921 1 6 . 1 1 2 2 SER HB3 H 1 3.820 0.05 . 2 . . . . . 2 SER HB3 . 26921 1 7 . 1 1 2 2 SER C C 13 174.400 0.5 . 1 . . . . . 2 SER C . 26921 1 8 . 1 1 2 2 SER CA C 13 58.110 0.5 . 1 . . . . . 2 SER CA . 26921 1 9 . 1 1 2 2 SER CB C 13 64.050 0.5 . 1 . . . . . 2 SER CB . 26921 1 10 . 1 1 2 2 SER N N 15 115.640 0.5 . 1 . . . . . 2 SER N . 26921 1 11 . 1 1 3 3 CYS H H 1 8.640 0.05 . 1 . . . . . 3 CYS HN . 26921 1 12 . 1 1 3 3 CYS HA H 1 4.510 0.05 . 1 . . . . . 3 CYS HA . 26921 1 13 . 1 1 3 3 CYS HB2 H 1 2.890 0.05 . 2 . . . . . 3 CYS HB2 . 26921 1 14 . 1 1 3 3 CYS HB3 H 1 2.890 0.05 . 2 . . . . . 3 CYS HB3 . 26921 1 15 . 1 1 3 3 CYS C C 13 174.470 0.5 . 1 . . . . . 3 CYS C . 26921 1 16 . 1 1 3 3 CYS CA C 13 58.360 0.5 . 1 . . . . . 3 CYS CA . 26921 1 17 . 1 1 3 3 CYS CB C 13 28.050 0.5 . 1 . . . . . 3 CYS CB . 26921 1 18 . 1 1 3 3 CYS N N 15 121.640 0.5 . 1 . . . . . 3 CYS N . 26921 1 19 . 1 1 4 4 ARG H H 1 8.600 0.05 . 1 . . . . . 4 ARG HN . 26921 1 20 . 1 1 4 4 ARG HA H 1 4.290 0.05 . 1 . . . . . 4 ARG HA . 26921 1 21 . 1 1 4 4 ARG HB2 H 1 1.740 0.05 . 2 . . . . . 4 ARG HB2 . 26921 1 22 . 1 1 4 4 ARG HB3 H 1 1.740 0.05 . 2 . . . . . 4 ARG HB3 . 26921 1 23 . 1 1 4 4 ARG HG2 H 1 1.620 0.05 . 2 . . . . . 4 ARG HG2 . 26921 1 24 . 1 1 4 4 ARG HG3 H 1 1.620 0.05 . 2 . . . . . 4 ARG HG3 . 26921 1 25 . 1 1 4 4 ARG HD2 H 1 3.090 0.05 . 2 . . . . . 4 ARG HD2 . 26921 1 26 . 1 1 4 4 ARG HD3 H 1 3.090 0.05 . 2 . . . . . 4 ARG HD3 . 26921 1 27 . 1 1 4 4 ARG C C 13 175.960 0.5 . 1 . . . . . 4 ARG C . 26921 1 28 . 1 1 4 4 ARG CA C 13 56.270 0.5 . 1 . . . . . 4 ARG CA . 26921 1 29 . 1 1 4 4 ARG CB C 13 31.050 0.5 . 1 . . . . . 4 ARG CB . 26921 1 30 . 1 1 4 4 ARG CG C 13 26.900 0.5 . 1 . . . . . 4 ARG CG . 26921 1 31 . 1 1 4 4 ARG CD C 13 43.300 0.5 . 1 . . . . . 4 ARG CD . 26921 1 32 . 1 1 4 4 ARG N N 15 124.330 0.5 . 1 . . . . . 4 ARG N . 26921 1 33 . 1 1 5 5 CYS H H 1 8.520 0.05 . 1 . . . . . 5 CYS HN . 26921 1 34 . 1 1 5 5 CYS HA H 1 4.480 0.05 . 1 . . . . . 5 CYS HA . 26921 1 35 . 1 1 5 5 CYS HB2 H 1 2.860 0.05 . 2 . . . . . 5 CYS HB2 . 26921 1 36 . 1 1 5 5 CYS HB3 H 1 2.860 0.05 . 2 . . . . . 5 CYS HB3 . 26921 1 37 . 1 1 5 5 CYS C C 13 174.540 0.5 . 1 . . . . . 5 CYS C . 26921 1 38 . 1 1 5 5 CYS CA C 13 58.500 0.5 . 1 . . . . . 5 CYS CA . 26921 1 39 . 1 1 5 5 CYS CB C 13 28.130 0.5 . 1 . . . . . 5 CYS CB . 26921 1 40 . 1 1 5 5 CYS N N 15 121.850 0.5 . 1 . . . . . 5 CYS N . 26921 1 41 . 1 1 6 6 VAL H H 1 8.440 0.05 . 1 . . . . . 6 VAL HN . 26921 1 42 . 1 1 6 6 VAL HA H 1 4.120 0.05 . 1 . . . . . 6 VAL HA . 26921 1 43 . 1 1 6 6 VAL HB H 1 2.040 0.05 . 1 . . . . . 6 VAL HB . 26921 1 44 . 1 1 6 6 VAL HG11 H 1 0.870 0.05 . 2 . . . . . 6 VAL HG11 . 26921 1 45 . 1 1 6 6 VAL HG12 H 1 0.870 0.05 . 2 . . . . . 6 VAL HG11 . 26921 1 46 . 1 1 6 6 VAL HG13 H 1 0.870 0.05 . 2 . . . . . 6 VAL HG11 . 26921 1 47 . 1 1 6 6 VAL HG21 H 1 0.870 0.05 . 2 . . . . . 6 VAL HG21 . 26921 1 48 . 1 1 6 6 VAL HG22 H 1 0.870 0.05 . 2 . . . . . 6 VAL HG21 . 26921 1 49 . 1 1 6 6 VAL HG23 H 1 0.870 0.05 . 2 . . . . . 6 VAL HG21 . 26921 1 50 . 1 1 6 6 VAL C C 13 176.110 0.5 . 1 . . . . . 6 VAL C . 26921 1 51 . 1 1 6 6 VAL CA C 13 62.500 0.5 . 1 . . . . . 6 VAL CA . 26921 1 52 . 1 1 6 6 VAL CB C 13 32.760 0.5 . 1 . . . . . 6 VAL CB . 26921 1 53 . 1 1 6 6 VAL CG1 C 13 20.200 0.5 . 1 . . . . . 6 VAL CG1 . 26921 1 54 . 1 1 6 6 VAL CG2 C 13 20.810 0.5 . 1 . . . . . 6 VAL CG2 . 26921 1 55 . 1 1 6 6 VAL N N 15 123.710 0.5 . 1 . . . . . 6 VAL N . 26921 1 56 . 1 1 7 7 SER H H 1 8.440 0.05 . 1 . . . . . 7 SER HN . 26921 1 57 . 1 1 7 7 SER HA H 1 4.400 0.05 . 1 . . . . . 7 SER HA . 26921 1 58 . 1 1 7 7 SER HB2 H 1 3.850 0.05 . 2 . . . . . 7 SER HB2 . 26921 1 59 . 1 1 7 7 SER HB3 H 1 3.850 0.05 . 2 . . . . . 7 SER HB3 . 26921 1 60 . 1 1 7 7 SER C C 13 174.700 0.5 . 1 . . . . . 7 SER C . 26921 1 61 . 1 1 7 7 SER CA C 13 58.500 0.5 . 1 . . . . . 7 SER CA . 26921 1 62 . 1 1 7 7 SER CB C 13 63.680 0.5 . 1 . . . . . 7 SER CB . 26921 1 63 . 1 1 7 7 SER N N 15 119.780 0.5 . 1 . . . . . 7 SER N . 26921 1 64 . 1 1 8 8 ARG H H 1 8.540 0.05 . 1 . . . . . 8 ARG HN . 26921 1 65 . 1 1 8 8 ARG HA H 1 4.290 0.05 . 1 . . . . . 8 ARG HA . 26921 1 66 . 1 1 8 8 ARG HB2 H 1 1.740 0.05 . 2 . . . . . 8 ARG HB2 . 26921 1 67 . 1 1 8 8 ARG HB3 H 1 1.740 0.05 . 2 . . . . . 8 ARG HB3 . 26921 1 68 . 1 1 8 8 ARG HG2 H 1 1.710 0.05 . 2 . . . . . 8 ARG HG2 . 26921 1 69 . 1 1 8 8 ARG HG3 H 1 1.710 0.05 . 2 . . . . . 8 ARG HG3 . 26921 1 70 . 1 1 8 8 ARG HD2 H 1 3.130 0.05 . 2 . . . . . 8 ARG HD2 . 26921 1 71 . 1 1 8 8 ARG HD3 H 1 3.130 0.05 . 2 . . . . . 8 ARG HD3 . 26921 1 72 . 1 1 8 8 ARG HH11 H 1 7.690 0.05 . 1 . . . . . 8 ARG HH11 . 26921 1 73 . 1 1 8 8 ARG HH21 H 1 7.050 0.05 . 1 . . . . . 8 ARG HH21 . 26921 1 74 . 1 1 8 8 ARG C C 13 176.450 0.5 . 1 . . . . . 8 ARG C . 26921 1 75 . 1 1 8 8 ARG CA C 13 56.660 0.5 . 1 . . . . . 8 ARG CA . 26921 1 76 . 1 1 8 8 ARG CB C 13 30.270 0.5 . 1 . . . . . 8 ARG CB . 26921 1 77 . 1 1 8 8 ARG CG C 13 26.900 0.5 . 1 . . . . . 8 ARG CG . 26921 1 78 . 1 1 8 8 ARG CD C 13 43.300 0.5 . 1 . . . . . 8 ARG CD . 26921 1 79 . 1 1 8 8 ARG N N 15 123.500 0.5 . 1 . . . . . 8 ARG N . 26921 1 80 . 1 1 9 9 GLU H H 1 8.420 0.05 . 1 . . . . . 9 GLU HN . 26921 1 81 . 1 1 9 9 GLU HA H 1 4.240 0.05 . 1 . . . . . 9 GLU HA . 26921 1 82 . 1 1 9 9 GLU HB2 H 1 1.900 0.05 . 2 . . . . . 9 GLU HB2 . 26921 1 83 . 1 1 9 9 GLU HB3 H 1 1.900 0.05 . 2 . . . . . 9 GLU HB3 . 26921 1 84 . 1 1 9 9 GLU HG2 H 1 2.188 0.05 . 2 . . . . . 9 GLU HG2 . 26921 1 85 . 1 1 9 9 GLU HG3 H 1 2.188 0.05 . 2 . . . . . 9 GLU HG3 . 26921 1 86 . 1 1 9 9 GLU C C 13 176.670 0.5 . 1 . . . . . 9 GLU C . 26921 1 87 . 1 1 9 9 GLU CA C 13 56.800 0.5 . 1 . . . . . 9 GLU CA . 26921 1 88 . 1 1 9 9 GLU CB C 13 29.840 0.5 . 1 . . . . . 9 GLU CB . 26921 1 89 . 1 1 9 9 GLU CG C 13 36.000 0.5 . 1 . . . . . 9 GLU CG . 26921 1 90 . 1 1 9 9 GLU N N 15 121.850 0.5 . 1 . . . . . 9 GLU N . 26921 1 91 . 1 1 10 10 ILE H H 1 8.270 0.05 . 1 . . . . . 10 ILE HN . 26921 1 92 . 1 1 10 10 ILE HA H 1 4.010 0.05 . 1 . . . . . 10 ILE HA . 26921 1 93 . 1 1 10 10 ILE HB H 1 1.790 0.05 . 1 . . . . . 10 ILE HB . 26921 1 94 . 1 1 10 10 ILE HG12 H 1 1.120 0.05 . 1 . . . . . 10 ILE HG12 . 26921 1 95 . 1 1 10 10 ILE HG13 H 1 1.460 0.05 . 1 . . . . . 10 ILE HG13 . 26921 1 96 . 1 1 10 10 ILE HG21 H 1 0.840 0.05 . 1 . . . . . 10 ILE HG21 . 26921 1 97 . 1 1 10 10 ILE HG22 H 1 0.840 0.05 . 1 . . . . . 10 ILE HG21 . 26921 1 98 . 1 1 10 10 ILE HG23 H 1 0.840 0.05 . 1 . . . . . 10 ILE HG21 . 26921 1 99 . 1 1 10 10 ILE HD11 H 1 0.860 0.05 . 1 . . . . . 10 ILE HD11 . 26921 1 100 . 1 1 10 10 ILE HD12 H 1 0.860 0.05 . 1 . . . . . 10 ILE HD11 . 26921 1 101 . 1 1 10 10 ILE HD13 H 1 0.860 0.05 . 1 . . . . . 10 ILE HD11 . 26921 1 102 . 1 1 10 10 ILE C C 13 176.660 0.5 . 1 . . . . . 10 ILE C . 26921 1 103 . 1 1 10 10 ILE CA C 13 61.540 0.5 . 1 . . . . . 10 ILE CA . 26921 1 104 . 1 1 10 10 ILE CB C 13 38.070 0.5 . 1 . . . . . 10 ILE CB . 26921 1 105 . 1 1 10 10 ILE CG1 C 13 27.500 0.5 . 1 . . . . . 10 ILE CG1 . 26921 1 106 . 1 1 10 10 ILE CG2 C 13 17.600 0.5 . 1 . . . . . 10 ILE CG2 . 26921 1 107 . 1 1 10 10 ILE CD1 C 13 12.600 0.5 . 1 . . . . . 10 ILE CD1 . 26921 1 108 . 1 1 10 10 ILE N N 15 123.300 0.5 . 1 . . . . . 10 ILE N . 26921 1 109 . 1 1 11 11 LYS H H 1 8.400 0.05 . 1 . . . . . 11 LYS HN . 26921 1 110 . 1 1 11 11 LYS HA H 1 4.180 0.05 . 1 . . . . . 11 LYS HA . 26921 1 111 . 1 1 11 11 LYS HB2 H 1 1.740 0.05 . 2 . . . . . 11 LYS HB2 . 26921 1 112 . 1 1 11 11 LYS HB3 H 1 1.740 0.05 . 2 . . . . . 11 LYS HB3 . 26921 1 113 . 1 1 11 11 LYS HG2 H 1 1.410 0.05 . 2 . . . . . 11 LYS HG2 . 26921 1 114 . 1 1 11 11 LYS HG3 H 1 1.410 0.05 . 2 . . . . . 11 LYS HG3 . 26921 1 115 . 1 1 11 11 LYS HD2 H 1 1.690 0.05 . 2 . . . . . 11 LYS HD2 . 26921 1 116 . 1 1 11 11 LYS HD3 H 1 1.690 0.05 . 2 . . . . . 11 LYS HD3 . 26921 1 117 . 1 1 11 11 LYS HE2 H 1 3.000 0.05 . 2 . . . . . 11 LYS HE2 . 26921 1 118 . 1 1 11 11 LYS HE3 H 1 3.000 0.05 . 2 . . . . . 11 LYS HE3 . 26921 1 119 . 1 1 11 11 LYS C C 13 176.380 0.5 . 1 . . . . . 11 LYS C . 26921 1 120 . 1 1 11 11 LYS CA C 13 56.700 0.5 . 1 . . . . . 11 LYS CA . 26921 1 121 . 1 1 11 11 LYS CB C 13 32.860 0.5 . 1 . . . . . 11 LYS CB . 26921 1 122 . 1 1 11 11 LYS CG C 13 24.600 0.5 . 1 . . . . . 11 LYS CG . 26921 1 123 . 1 1 11 11 LYS CD C 13 29.800 0.5 . 1 . . . . . 11 LYS CD . 26921 1 124 . 1 1 11 11 LYS CE C 13 42.700 0.5 . 1 . . . . . 11 LYS CE . 26921 1 125 . 1 1 11 11 LYS N N 15 125.370 0.5 . 1 . . . . . 11 LYS N . 26921 1 126 . 1 1 12 12 ALA H H 1 8.300 0.05 . 1 . . . . . 12 ALA HN . 26921 1 127 . 1 1 12 12 ALA HA H 1 4.230 0.05 . 1 . . . . . 12 ALA HA . 26921 1 128 . 1 1 12 12 ALA HB1 H 1 1.350 0.05 . 1 . . . . . 12 ALA HB1 . 26921 1 129 . 1 1 12 12 ALA HB2 H 1 1.350 0.05 . 1 . . . . . 12 ALA HB1 . 26921 1 130 . 1 1 12 12 ALA HB3 H 1 1.350 0.05 . 1 . . . . . 12 ALA HB1 . 26921 1 131 . 1 1 12 12 ALA C C 13 178.010 0.5 . 1 . . . . . 12 ALA C . 26921 1 132 . 1 1 12 12 ALA CA C 13 52.570 0.5 . 1 . . . . . 12 ALA CA . 26921 1 133 . 1 1 12 12 ALA CB C 13 19.060 0.5 . 1 . . . . . 12 ALA CB . 26921 1 134 . 1 1 12 12 ALA N N 15 124.540 0.5 . 1 . . . . . 12 ALA N . 26921 1 135 . 1 1 13 13 ARG H H 1 8.280 0.05 . 1 . . . . . 13 ARG HN . 26921 1 136 . 1 1 13 13 ARG HA H 1 4.210 0.05 . 1 . . . . . 13 ARG HA . 26921 1 137 . 1 1 13 13 ARG HB2 H 1 1.740 0.05 . 2 . . . . . 13 ARG HB2 . 26921 1 138 . 1 1 13 13 ARG HB3 H 1 1.740 0.05 . 2 . . . . . 13 ARG HB3 . 26921 1 139 . 1 1 13 13 ARG HG2 H 1 1.680 0.05 . 2 . . . . . 13 ARG HG2 . 26921 1 140 . 1 1 13 13 ARG HG3 H 1 1.680 0.05 . 2 . . . . . 13 ARG HG3 . 26921 1 141 . 1 1 13 13 ARG HD2 H 1 3.020 0.05 . 2 . . . . . 13 ARG HD2 . 26921 1 142 . 1 1 13 13 ARG HD3 H 1 3.020 0.05 . 2 . . . . . 13 ARG HD3 . 26921 1 143 . 1 1 13 13 ARG C C 13 176.690 0.5 . 1 . . . . . 13 ARG C . 26921 1 144 . 1 1 13 13 ARG CA C 13 56.680 0.5 . 1 . . . . . 13 ARG CA . 26921 1 145 . 1 1 13 13 ARG CB C 13 30.880 0.5 . 1 . . . . . 13 ARG CB . 26921 1 146 . 1 1 13 13 ARG CG C 13 26.900 0.5 . 1 . . . . . 13 ARG CG . 26921 1 147 . 1 1 13 13 ARG CD C 13 43.300 0.5 . 1 . . . . . 13 ARG CD . 26921 1 148 . 1 1 13 13 ARG N N 15 120.600 0.5 . 1 . . . . . 13 ARG N . 26921 1 149 . 1 1 14 14 ARG H H 1 8.480 0.05 . 1 . . . . . 14 ARG HN . 26921 1 150 . 1 1 14 14 ARG HA H 1 4.290 0.05 . 1 . . . . . 14 ARG HA . 26921 1 151 . 1 1 14 14 ARG HB2 H 1 1.740 0.05 . 2 . . . . . 14 ARG HB2 . 26921 1 152 . 1 1 14 14 ARG HB3 H 1 1.740 0.05 . 2 . . . . . 14 ARG HB3 . 26921 1 153 . 1 1 14 14 ARG HG2 H 1 1.610 0.05 . 2 . . . . . 14 ARG HG2 . 26921 1 154 . 1 1 14 14 ARG HG3 H 1 1.610 0.05 . 2 . . . . . 14 ARG HG3 . 26921 1 155 . 1 1 14 14 ARG HD2 H 1 3.130 0.05 . 2 . . . . . 14 ARG HD2 . 26921 1 156 . 1 1 14 14 ARG HD3 H 1 3.130 0.05 . 2 . . . . . 14 ARG HD3 . 26921 1 157 . 1 1 14 14 ARG C C 13 176.420 0.5 . 1 . . . . . 14 ARG C . 26921 1 158 . 1 1 14 14 ARG CA C 13 56.000 0.5 . 1 . . . . . 14 ARG CA . 26921 1 159 . 1 1 14 14 ARG CB C 13 30.660 0.5 . 1 . . . . . 14 ARG CB . 26921 1 160 . 1 1 14 14 ARG CG C 13 26.900 0.5 . 1 . . . . . 14 ARG CG . 26921 1 161 . 1 1 14 14 ARG CD C 13 43.300 0.5 . 1 . . . . . 14 ARG CD . 26921 1 162 . 1 1 14 14 ARG N N 15 122.470 0.5 . 1 . . . . . 14 ARG N . 26921 1 163 . 1 1 15 15 ASP H H 1 8.440 0.05 . 1 . . . . . 15 ASP HN . 26921 1 164 . 1 1 15 15 ASP HA H 1 4.480 0.05 . 1 . . . . . 15 ASP HA . 26921 1 165 . 1 1 15 15 ASP HB2 H 1 2.590 0.05 . 2 . . . . . 15 ASP HB2 . 26921 1 166 . 1 1 15 15 ASP HB3 H 1 2.590 0.05 . 2 . . . . . 15 ASP HB3 . 26921 1 167 . 1 1 15 15 ASP C C 13 176.340 0.5 . 1 . . . . . 15 ASP C . 26921 1 168 . 1 1 15 15 ASP CA C 13 54.600 0.5 . 1 . . . . . 15 ASP CA . 26921 1 169 . 1 1 15 15 ASP CB C 13 40.790 0.5 . 1 . . . . . 15 ASP CB . 26921 1 170 . 1 1 15 15 ASP N N 15 121.020 0.5 . 1 . . . . . 15 ASP N . 26921 1 171 . 1 1 16 16 HIS H H 1 8.420 0.05 . 1 . . . . . 16 HIS HN . 26921 1 172 . 1 1 16 16 HIS HA H 1 4.530 0.05 . 1 . . . . . 16 HIS HA . 26921 1 173 . 1 1 16 16 HIS HB2 H 1 3.220 0.05 . 2 . . . . . 16 HIS HB2 . 26921 1 174 . 1 1 16 16 HIS HB3 H 1 3.220 0.05 . 2 . . . . . 16 HIS HB3 . 26921 1 175 . 1 1 16 16 HIS HE1 H 1 7.230 0.05 . 1 . . . . . 16 HIS HE1 . 26921 1 176 . 1 1 16 16 HIS C C 13 174.400 0.5 . 1 . . . . . 16 HIS C . 26921 1 177 . 1 1 16 16 HIS CA C 13 55.990 0.5 . 1 . . . . . 16 HIS CA . 26921 1 178 . 1 1 16 16 HIS CB C 13 28.580 0.5 . 1 . . . . . 16 HIS CB . 26921 1 179 . 1 1 16 16 HIS N N 15 118.120 0.5 . 1 . . . . . 16 HIS N . 26921 1 180 . 1 1 17 17 ASP H H 1 8.380 0.05 . 1 . . . . . 17 ASP HN . 26921 1 181 . 1 1 17 17 ASP HA H 1 4.510 0.05 . 1 . . . . . 17 ASP HA . 26921 1 182 . 1 1 17 17 ASP HB2 H 1 2.640 0.05 . 2 . . . . . 17 ASP HB2 . 26921 1 183 . 1 1 17 17 ASP HB3 H 1 2.640 0.05 . 2 . . . . . 17 ASP HB3 . 26921 1 184 . 1 1 17 17 ASP C C 13 175.730 0.5 . 1 . . . . . 17 ASP C . 26921 1 185 . 1 1 17 17 ASP CA C 13 54.260 0.5 . 1 . . . . . 17 ASP CA . 26921 1 186 . 1 1 17 17 ASP CB C 13 40.860 0.5 . 1 . . . . . 17 ASP CB . 26921 1 187 . 1 1 17 17 ASP N N 15 121.020 0.5 . 1 . . . . . 17 ASP N . 26921 1 188 . 1 1 18 18 ALA H H 1 8.230 0.05 . 1 . . . . . 18 ALA HN . 26921 1 189 . 1 1 18 18 ALA HA H 1 4.260 0.05 . 1 . . . . . 18 ALA HA . 26921 1 190 . 1 1 18 18 ALA HB1 H 1 1.350 0.05 . 1 . . . . . 18 ALA HB1 . 26921 1 191 . 1 1 18 18 ALA HB2 H 1 1.350 0.05 . 1 . . . . . 18 ALA HB1 . 26921 1 192 . 1 1 18 18 ALA HB3 H 1 1.350 0.05 . 1 . . . . . 18 ALA HB1 . 26921 1 193 . 1 1 18 18 ALA C C 13 177.450 0.5 . 1 . . . . . 18 ALA C . 26921 1 194 . 1 1 18 18 ALA CA C 13 52.440 0.5 . 1 . . . . . 18 ALA CA . 26921 1 195 . 1 1 18 18 ALA CB C 13 19.280 0.5 . 1 . . . . . 18 ALA CB . 26921 1 196 . 1 1 18 18 ALA N N 15 124.330 0.5 . 1 . . . . . 18 ALA N . 26921 1 197 . 1 1 19 19 ARG H H 1 8.320 0.05 . 1 . . . . . 19 ARG HN . 26921 1 198 . 1 1 19 19 ARG HA H 1 4.560 0.05 . 1 . . . . . 19 ARG HA . 26921 1 199 . 1 1 19 19 ARG HB2 H 1 1.820 0.05 . 2 . . . . . 19 ARG HB2 . 26921 1 200 . 1 1 19 19 ARG HB3 H 1 1.820 0.05 . 2 . . . . . 19 ARG HB3 . 26921 1 201 . 1 1 19 19 ARG HG2 H 1 1.670 0.05 . 2 . . . . . 19 ARG HG2 . 26921 1 202 . 1 1 19 19 ARG HG3 H 1 1.670 0.05 . 2 . . . . . 19 ARG HG3 . 26921 1 203 . 1 1 19 19 ARG HD2 H 1 3.080 0.05 . 2 . . . . . 19 ARG HD2 . 26921 1 204 . 1 1 19 19 ARG HD3 H 1 3.080 0.05 . 2 . . . . . 19 ARG HD3 . 26921 1 205 . 1 1 19 19 ARG HH11 H 1 7.700 0.05 . 1 . . . . . 19 ARG HH11 . 26921 1 206 . 1 1 19 19 ARG HH21 H 1 7.070 0.05 . 1 . . . . . 19 ARG HH21 . 26921 1 207 . 1 1 19 19 ARG C C 13 174.220 0.5 . 1 . . . . . 19 ARG C . 26921 1 208 . 1 1 19 19 ARG CA C 13 56.050 0.5 . 1 . . . . . 19 ARG CA . 26921 1 209 . 1 1 19 19 ARG CB C 13 29.890 0.5 . 1 . . . . . 19 ARG CB . 26921 1 210 . 1 1 19 19 ARG CG C 13 26.900 0.5 . 1 . . . . . 19 ARG CG . 26921 1 211 . 1 1 19 19 ARG CD C 13 43.300 0.5 . 1 . . . . . 19 ARG CD . 26921 1 212 . 1 1 19 19 ARG N N 15 121.850 0.5 . 1 . . . . . 19 ARG N . 26921 1 213 . 1 1 20 20 PRO HA H 1 4.360 0.05 . 1 . . . . . 20 PRO HA . 26921 1 214 . 1 1 20 20 PRO HB2 H 1 2.230 0.05 . 2 . . . . . 20 PRO HB2 . 26921 1 215 . 1 1 20 20 PRO HB3 H 1 2.230 0.05 . 2 . . . . . 20 PRO HB3 . 26921 1 216 . 1 1 20 20 PRO HG2 H 1 1.880 0.05 . 2 . . . . . 20 PRO HG2 . 26921 1 217 . 1 1 20 20 PRO HG3 H 1 1.880 0.05 . 2 . . . . . 20 PRO HG3 . 26921 1 218 . 1 1 20 20 PRO HD2 H 1 3.550 0.05 . 2 . . . . . 20 PRO HD2 . 26921 1 219 . 1 1 20 20 PRO HD3 H 1 3.550 0.05 . 2 . . . . . 20 PRO HD3 . 26921 1 220 . 1 1 20 20 PRO C C 13 176.660 0.5 . 1 . . . . . 20 PRO C . 26921 1 221 . 1 1 20 20 PRO CA C 13 63.010 0.5 . 1 . . . . . 20 PRO CA . 26921 1 222 . 1 1 20 20 PRO CB C 13 32.070 0.5 . 1 . . . . . 20 PRO CB . 26921 1 223 . 1 1 20 20 PRO CG C 13 27.200 0.5 . 1 . . . . . 20 PRO CG . 26921 1 224 . 1 1 20 20 PRO CD C 13 50.400 0.5 . 1 . . . . . 20 PRO CD . 26921 1 225 . 1 1 21 21 ALA H H 1 8.570 0.05 . 1 . . . . . 21 ALA HN . 26921 1 226 . 1 1 21 21 ALA HA H 1 4.210 0.05 . 1 . . . . . 21 ALA HA . 26921 1 227 . 1 1 21 21 ALA HB1 H 1 1.350 0.05 . 1 . . . . . 21 ALA HB1 . 26921 1 228 . 1 1 21 21 ALA HB2 H 1 1.350 0.05 . 1 . . . . . 21 ALA HB1 . 26921 1 229 . 1 1 21 21 ALA HB3 H 1 1.350 0.05 . 1 . . . . . 21 ALA HB1 . 26921 1 230 . 1 1 21 21 ALA C C 13 177.850 0.5 . 1 . . . . . 21 ALA C . 26921 1 231 . 1 1 21 21 ALA CA C 13 52.560 0.5 . 1 . . . . . 21 ALA CA . 26921 1 232 . 1 1 21 21 ALA CB C 13 19.090 0.5 . 1 . . . . . 21 ALA CB . 26921 1 233 . 1 1 21 21 ALA N N 15 124.740 0.5 . 1 . . . . . 21 ALA N . 26921 1 234 . 1 1 22 22 GLN H H 1 8.480 0.05 . 1 . . . . . 22 GLN HN . 26921 1 235 . 1 1 22 22 GLN HA H 1 4.290 0.05 . 1 . . . . . 22 GLN HA . 26921 1 236 . 1 1 22 22 GLN HB2 H 1 2.010 0.05 . 2 . . . . . 22 GLN HB2 . 26921 1 237 . 1 1 22 22 GLN HB3 H 1 2.010 0.05 . 2 . . . . . 22 GLN HB3 . 26921 1 238 . 1 1 22 22 GLN HG2 H 1 2.310 0.05 . 2 . . . . . 22 GLN HG2 . 26921 1 239 . 1 1 22 22 GLN HG3 H 1 2.310 0.05 . 2 . . . . . 22 GLN HG3 . 26921 1 240 . 1 1 22 22 GLN C C 13 176.490 0.5 . 1 . . . . . 22 GLN C . 26921 1 241 . 1 1 22 22 GLN CA C 13 55.890 0.5 . 1 . . . . . 22 GLN CA . 26921 1 242 . 1 1 22 22 GLN CB C 13 29.200 0.5 . 1 . . . . . 22 GLN CB . 26921 1 243 . 1 1 22 22 GLN CG C 13 33.700 0.5 . 1 . . . . . 22 GLN CG . 26921 1 244 . 1 1 22 22 GLN N N 15 119.780 0.5 . 1 . . . . . 22 GLN N . 26921 1 245 . 1 1 23 23 GLY H H 1 8.570 0.05 . 1 . . . . . 23 GLY HN . 26921 1 246 . 1 1 23 23 GLY HA2 H 1 3.930 0.05 . 2 . . . . . 23 GLY HA2 . 26921 1 247 . 1 1 23 23 GLY HA3 H 1 3.930 0.05 . 2 . . . . . 23 GLY HA3 . 26921 1 248 . 1 1 23 23 GLY C C 13 173.990 0.5 . 1 . . . . . 23 GLY C . 26921 1 249 . 1 1 23 23 GLY CA C 13 45.440 0.5 . 1 . . . . . 23 GLY CA . 26921 1 250 . 1 1 23 23 GLY N N 15 110.870 0.5 . 1 . . . . . 23 GLY N . 26921 1 251 . 1 1 24 24 SER H H 1 8.260 0.05 . 1 . . . . . 24 SER HN . 26921 1 252 . 1 1 24 24 SER HA H 1 4.460 0.05 . 1 . . . . . 24 SER HA . 26921 1 253 . 1 1 24 24 SER HB2 H 1 3.820 0.05 . 2 . . . . . 24 SER HB2 . 26921 1 254 . 1 1 24 24 SER HB3 H 1 3.820 0.05 . 2 . . . . . 24 SER HB3 . 26921 1 255 . 1 1 24 24 SER C C 13 174.590 0.5 . 1 . . . . . 24 SER C . 26921 1 256 . 1 1 24 24 SER CA C 13 58.070 0.5 . 1 . . . . . 24 SER CA . 26921 1 257 . 1 1 24 24 SER CB C 13 64.360 0.5 . 1 . . . . . 24 SER CB . 26921 1 258 . 1 1 24 24 SER N N 15 115.840 0.5 . 1 . . . . . 24 SER N . 26921 1 259 . 1 1 25 25 ALA H H 1 8.570 0.05 . 1 . . . . . 25 ALA HN . 26921 1 260 . 1 1 25 25 ALA HA H 1 4.260 0.05 . 1 . . . . . 25 ALA HA . 26921 1 261 . 1 1 25 25 ALA HB1 H 1 1.380 0.05 . 1 . . . . . 25 ALA HB1 . 26921 1 262 . 1 1 25 25 ALA HB2 H 1 1.380 0.05 . 1 . . . . . 25 ALA HB1 . 26921 1 263 . 1 1 25 25 ALA HB3 H 1 1.380 0.05 . 1 . . . . . 25 ALA HB1 . 26921 1 264 . 1 1 25 25 ALA C C 13 177.900 0.5 . 1 . . . . . 25 ALA C . 26921 1 265 . 1 1 25 25 ALA CA C 13 53.030 0.5 . 1 . . . . . 25 ALA CA . 26921 1 266 . 1 1 25 25 ALA CB C 13 18.900 0.5 . 1 . . . . . 25 ALA CB . 26921 1 267 . 1 1 25 25 ALA N N 15 125.780 0.5 . 1 . . . . . 25 ALA N . 26921 1 268 . 1 1 26 26 SER H H 1 8.180 0.05 . 1 . . . . . 26 SER HN . 26921 1 269 . 1 1 26 26 SER HA H 1 4.340 0.05 . 1 . . . . . 26 SER HA . 26921 1 270 . 1 1 26 26 SER HB2 H 1 3.790 0.05 . 2 . . . . . 26 SER HB2 . 26921 1 271 . 1 1 26 26 SER HB3 H 1 3.790 0.05 . 2 . . . . . 26 SER HB3 . 26921 1 272 . 1 1 26 26 SER C C 13 173.840 0.5 . 1 . . . . . 26 SER C . 26921 1 273 . 1 1 26 26 SER CA C 13 58.350 0.5 . 1 . . . . . 26 SER CA . 26921 1 274 . 1 1 26 26 SER CB C 13 63.670 0.5 . 1 . . . . . 26 SER CB . 26921 1 275 . 1 1 26 26 SER N N 15 113.770 0.5 . 1 . . . . . 26 SER N . 26921 1 276 . 1 1 27 27 ASP H H 1 8.090 0.05 . 1 . . . . . 27 ASP HN . 26921 1 277 . 1 1 27 27 ASP HA H 1 4.780 0.05 . 1 . . . . . 27 ASP HA . 26921 1 278 . 1 1 27 27 ASP HB2 H 1 2.450 0.05 . 2 . . . . . 27 ASP HB2 . 26921 1 279 . 1 1 27 27 ASP HB3 H 1 2.670 0.05 . 2 . . . . . 27 ASP HB3 . 26921 1 280 . 1 1 27 27 ASP C C 13 177.900 0.5 . 1 . . . . . 27 ASP C . 26921 1 281 . 1 1 27 27 ASP CA C 13 52.450 0.5 . 1 . . . . . 27 ASP CA . 26921 1 282 . 1 1 27 27 ASP CB C 13 40.700 0.5 . 1 . . . . . 27 ASP CB . 26921 1 283 . 1 1 27 27 ASP N N 15 123.300 0.5 . 1 . . . . . 27 ASP N . 26921 1 284 . 1 1 28 28 PRO HA H 1 4.300 0.05 . 1 . . . . . 28 PRO HA . 26921 1 285 . 1 1 28 28 PRO HB2 H 1 2.100 0.05 . 2 . . . . . 28 PRO HB2 . 26921 1 286 . 1 1 28 28 PRO HB3 H 1 2.100 0.05 . 2 . . . . . 28 PRO HB3 . 26921 1 287 . 1 1 28 28 PRO HG2 H 1 1.900 0.05 . 2 . . . . . 28 PRO HG2 . 26921 1 288 . 1 1 28 28 PRO HG3 H 1 1.900 0.05 . 2 . . . . . 28 PRO HG3 . 26921 1 289 . 1 1 28 28 PRO HD2 H 1 3.680 0.05 . 2 . . . . . 28 PRO HD2 . 26921 1 290 . 1 1 28 28 PRO HD3 H 1 3.680 0.05 . 2 . . . . . 28 PRO HD3 . 26921 1 291 . 1 1 28 28 PRO C C 13 176.470 0.5 . 1 . . . . . 28 PRO C . 26921 1 292 . 1 1 28 28 PRO CA C 13 63.100 0.5 . 1 . . . . . 28 PRO CA . 26921 1 293 . 1 1 28 28 PRO CB C 13 31.890 0.5 . 1 . . . . . 28 PRO CB . 26921 1 294 . 1 1 28 28 PRO CG C 13 27.200 0.5 . 1 . . . . . 28 PRO CG . 26921 1 295 . 1 1 28 28 PRO CD C 13 50.400 0.5 . 1 . . . . . 28 PRO CD . 26921 1 296 . 1 1 29 29 TYR H H 1 8.310 0.05 . 1 . . . . . 29 TYR HN . 26921 1 297 . 1 1 29 29 TYR HA H 1 4.780 0.05 . 1 . . . . . 29 TYR HA . 26921 1 298 . 1 1 29 29 TYR HB2 H 1 3.000 0.05 . 2 . . . . . 29 TYR HB2 . 26921 1 299 . 1 1 29 29 TYR HB3 H 1 3.000 0.05 . 2 . . . . . 29 TYR HB3 . 26921 1 300 . 1 1 29 29 TYR HD1 H 1 7.120 0.05 . 3 . . . . . 29 TYR HD1 . 26921 1 301 . 1 1 29 29 TYR HD2 H 1 7.120 0.05 . 3 . . . . . 29 TYR HD2 . 26921 1 302 . 1 1 29 29 TYR C C 13 173.300 0.5 . 1 . . . . . 29 TYR C . 26921 1 303 . 1 1 29 29 TYR CA C 13 56.420 0.5 . 1 . . . . . 29 TYR CA . 26921 1 304 . 1 1 29 29 TYR CB C 13 37.930 0.5 . 1 . . . . . 29 TYR CB . 26921 1 305 . 1 1 29 29 TYR N N 15 120.810 0.5 . 1 . . . . . 29 TYR N . 26921 1 306 . 1 1 30 30 PRO HA H 1 4.360 0.05 . 1 . . . . . 30 PRO HA . 26921 1 307 . 1 1 30 30 PRO HB2 H 1 2.200 0.05 . 2 . . . . . 30 PRO HB2 . 26921 1 308 . 1 1 30 30 PRO HB3 H 1 2.200 0.05 . 2 . . . . . 30 PRO HB3 . 26921 1 309 . 1 1 30 30 PRO HG2 H 1 2.000 0.05 . 2 . . . . . 30 PRO HG2 . 26921 1 310 . 1 1 30 30 PRO HG3 H 1 2.000 0.05 . 2 . . . . . 30 PRO HG3 . 26921 1 311 . 1 1 30 30 PRO HD2 H 1 3.660 0.05 . 2 . . . . . 30 PRO HD2 . 26921 1 312 . 1 1 30 30 PRO HD3 H 1 3.660 0.05 . 2 . . . . . 30 PRO HD3 . 26921 1 313 . 1 1 30 30 PRO C C 13 176.900 0.5 . 1 . . . . . 30 PRO C . 26921 1 314 . 1 1 30 30 PRO CA C 13 63.960 0.5 . 1 . . . . . 30 PRO CA . 26921 1 315 . 1 1 30 30 PRO CB C 13 32.070 0.5 . 1 . . . . . 30 PRO CB . 26921 1 316 . 1 1 30 30 PRO CG C 13 27.000 0.5 . 1 . . . . . 30 PRO CG . 26921 1 317 . 1 1 30 30 PRO CD C 13 50.000 0.5 . 1 . . . . . 30 PRO CD . 26921 1 318 . 1 1 31 31 GLU H H 1 8.560 0.05 . 1 . . . . . 31 GLU HN . 26921 1 319 . 1 1 31 31 GLU HA H 1 4.150 0.05 . 1 . . . . . 31 GLU HA . 26921 1 320 . 1 1 31 31 GLU HB2 H 1 1.890 0.05 . 2 . . . . . 31 GLU HB2 . 26921 1 321 . 1 1 31 31 GLU HB3 H 1 1.890 0.05 . 2 . . . . . 31 GLU HB3 . 26921 1 322 . 1 1 31 31 GLU HG2 H 1 2.250 0.05 . 2 . . . . . 31 GLU HG2 . 26921 1 323 . 1 1 31 31 GLU HG3 H 1 2.250 0.05 . 2 . . . . . 31 GLU HG3 . 26921 1 324 . 1 1 31 31 GLU C C 13 176.300 0.5 . 1 . . . . . 31 GLU C . 26921 1 325 . 1 1 31 31 GLU CA C 13 56.000 0.5 . 1 . . . . . 31 GLU CA . 26921 1 326 . 1 1 31 31 GLU CB C 13 29.900 0.5 . 1 . . . . . 31 GLU CB . 26921 1 327 . 1 1 31 31 GLU CG C 13 36.300 0.5 . 1 . . . . . 31 GLU CG . 26921 1 328 . 1 1 31 31 GLU N N 15 120.600 0.5 . 1 . . . . . 31 GLU N . 26921 1 329 . 1 1 32 32 GLN H H 1 8.360 0.05 . 1 . . . . . 32 GLN HN . 26921 1 330 . 1 1 32 32 GLN HA H 1 4.200 0.05 . 1 . . . . . 32 GLN HA . 26921 1 331 . 1 1 32 32 GLN HB2 H 1 1.870 0.05 . 2 . . . . . 32 GLN HB2 . 26921 1 332 . 1 1 32 32 GLN HB3 H 1 1.870 0.05 . 2 . . . . . 32 GLN HB3 . 26921 1 333 . 1 1 32 32 GLN HG2 H 1 2.120 0.05 . 2 . . . . . 32 GLN HG2 . 26921 1 334 . 1 1 32 32 GLN HG3 H 1 2.120 0.05 . 2 . . . . . 32 GLN HG3 . 26921 1 335 . 1 1 32 32 GLN HE21 H 1 7.070 0.05 . 2 . . . . . 32 GLN HE21 . 26921 1 336 . 1 1 32 32 GLN C C 13 175.270 0.5 . 1 . . . . . 32 GLN C . 26921 1 337 . 1 1 32 32 GLN CA C 13 56.980 0.5 . 1 . . . . . 32 GLN CA . 26921 1 338 . 1 1 32 32 GLN CB C 13 29.970 0.5 . 1 . . . . . 32 GLN CB . 26921 1 339 . 1 1 32 32 GLN CG C 13 33.700 0.5 . 1 . . . . . 32 GLN CG . 26921 1 340 . 1 1 32 32 GLN N N 15 121.690 0.5 . 1 . . . . . 32 GLN N . 26921 1 341 . 1 1 33 33 VAL H H 1 8.090 0.05 . 1 . . . . . 33 VAL HN . 26921 1 342 . 1 1 33 33 VAL HA H 1 3.960 0.05 . 1 . . . . . 33 VAL HA . 26921 1 343 . 1 1 33 33 VAL HB H 1 2.160 0.05 . 1 . . . . . 33 VAL HB . 26921 1 344 . 1 1 33 33 VAL HG11 H 1 0.740 0.05 . 2 . . . . . 33 VAL HG11 . 26921 1 345 . 1 1 33 33 VAL HG12 H 1 0.740 0.05 . 2 . . . . . 33 VAL HG11 . 26921 1 346 . 1 1 33 33 VAL HG13 H 1 0.740 0.05 . 2 . . . . . 33 VAL HG11 . 26921 1 347 . 1 1 33 33 VAL HG21 H 1 0.740 0.05 . 2 . . . . . 33 VAL HG21 . 26921 1 348 . 1 1 33 33 VAL HG22 H 1 0.740 0.05 . 2 . . . . . 33 VAL HG21 . 26921 1 349 . 1 1 33 33 VAL HG23 H 1 0.740 0.05 . 2 . . . . . 33 VAL HG21 . 26921 1 350 . 1 1 33 33 VAL C C 13 175.270 0.5 . 1 . . . . . 33 VAL C . 26921 1 351 . 1 1 33 33 VAL CA C 13 63.590 0.5 . 1 . . . . . 33 VAL CA . 26921 1 352 . 1 1 33 33 VAL CB C 13 32.900 0.5 . 1 . . . . . 33 VAL CB . 26921 1 353 . 1 1 33 33 VAL CG1 C 13 22.900 0.5 . 1 . . . . . 33 VAL CG1 . 26921 1 354 . 1 1 33 33 VAL CG2 C 13 21.100 0.5 . 1 . . . . . 33 VAL CG2 . 26921 1 355 . 1 1 33 33 VAL N N 15 121.850 0.5 . 1 . . . . . 33 VAL N . 26921 1 356 . 1 1 34 34 PHE H H 1 8.290 0.05 . 1 . . . . . 34 PHE HN . 26921 1 357 . 1 1 34 34 PHE HA H 1 4.590 0.05 . 1 . . . . . 34 PHE HA . 26921 1 358 . 1 1 34 34 PHE HB2 H 1 2.820 0.05 . 2 . . . . . 34 PHE HB2 . 26921 1 359 . 1 1 34 34 PHE HB3 H 1 2.820 0.05 . 2 . . . . . 34 PHE HB3 . 26921 1 360 . 1 1 34 34 PHE HD1 H 1 7.060 0.05 . 3 . . . . . 34 PHE HD1 . 26921 1 361 . 1 1 34 34 PHE CA C 13 58.700 0.5 . 1 . . . . . 34 PHE CA . 26921 1 362 . 1 1 34 34 PHE CB C 13 39.700 0.5 . 1 . . . . . 34 PHE CB . 26921 1 363 . 1 1 34 34 PHE N N 15 123.900 0.5 . 1 . . . . . 34 PHE N . 26921 1 364 . 1 1 35 35 PHE H H 1 8.160 0.05 . 1 . . . . . 35 PHE HN . 26921 1 365 . 1 1 35 35 PHE HA H 1 4.560 0.05 . 1 . . . . . 35 PHE HA . 26921 1 366 . 1 1 35 35 PHE HB2 H 1 2.840 0.05 . 2 . . . . . 35 PHE HB2 . 26921 1 367 . 1 1 35 35 PHE HB3 H 1 2.840 0.05 . 2 . . . . . 35 PHE HB3 . 26921 1 368 . 1 1 35 35 PHE HD1 H 1 7.030 0.05 . 3 . . . . . 35 PHE HD1 . 26921 1 369 . 1 1 35 35 PHE C C 13 174.760 0.5 . 1 . . . . . 35 PHE C . 26921 1 370 . 1 1 35 35 PHE CA C 13 58.840 0.5 . 1 . . . . . 35 PHE CA . 26921 1 371 . 1 1 35 35 PHE CB C 13 40.200 0.5 . 1 . . . . . 35 PHE CB . 26921 1 372 . 1 1 35 35 PHE N N 15 121.850 0.5 . 1 . . . . . 35 PHE N . 26921 1 373 . 1 1 36 36 TYR H H 1 8.170 0.05 . 1 . . . . . 36 TYR HN . 26921 1 374 . 1 1 36 36 TYR HA H 1 4.510 0.05 . 1 . . . . . 36 TYR HA . 26921 1 375 . 1 1 36 36 TYR HB2 H 1 2.930 0.05 . 2 . . . . . 36 TYR HB2 . 26921 1 376 . 1 1 36 36 TYR HB3 H 1 2.930 0.05 . 2 . . . . . 36 TYR HB3 . 26921 1 377 . 1 1 36 36 TYR C C 13 173.830 0.5 . 1 . . . . . 36 TYR C . 26921 1 378 . 1 1 36 36 TYR CA C 13 58.500 0.5 . 1 . . . . . 36 TYR CA . 26921 1 379 . 1 1 36 36 TYR CB C 13 40.000 0.5 . 1 . . . . . 36 TYR CB . 26921 1 380 . 1 1 36 36 TYR N N 15 122.020 0.5 . 1 . . . . . 36 TYR N . 26921 1 381 . 1 1 37 37 LEU H H 1 8.160 0.05 . 1 . . . . . 37 LEU HN . 26921 1 382 . 1 1 37 37 LEU HA H 1 4.500 0.05 . 1 . . . . . 37 LEU HA . 26921 1 383 . 1 1 37 37 LEU HB2 H 1 1.480 0.05 . 2 . . . . . 37 LEU HB2 . 26921 1 384 . 1 1 37 37 LEU HB3 H 1 1.480 0.05 . 2 . . . . . 37 LEU HB3 . 26921 1 385 . 1 1 37 37 LEU HG H 1 1.480 0.05 . 1 . . . . . 37 LEU HG . 26921 1 386 . 1 1 37 37 LEU HD11 H 1 0.850 0.05 . 2 . . . . . 37 LEU HD11 . 26921 1 387 . 1 1 37 37 LEU HD12 H 1 0.850 0.05 . 2 . . . . . 37 LEU HD11 . 26921 1 388 . 1 1 37 37 LEU HD13 H 1 0.850 0.05 . 2 . . . . . 37 LEU HD11 . 26921 1 389 . 1 1 37 37 LEU HD21 H 1 0.850 0.05 . 2 . . . . . 37 LEU HD21 . 26921 1 390 . 1 1 37 37 LEU HD22 H 1 0.850 0.05 . 2 . . . . . 37 LEU HD21 . 26921 1 391 . 1 1 37 37 LEU HD23 H 1 0.850 0.05 . 2 . . . . . 37 LEU HD21 . 26921 1 392 . 1 1 37 37 LEU C C 13 174.400 0.5 . 1 . . . . . 37 LEU C . 26921 1 393 . 1 1 37 37 LEU CA C 13 53.800 0.5 . 1 . . . . . 37 LEU CA . 26921 1 394 . 1 1 37 37 LEU CB C 13 39.340 0.5 . 1 . . . . . 37 LEU CB . 26921 1 395 . 1 1 37 37 LEU CG C 13 27.500 0.5 . 1 . . . . . 37 LEU CG . 26921 1 396 . 1 1 37 37 LEU CD1 C 13 23.700 0.5 . 1 . . . . . 37 LEU CD1 . 26921 1 397 . 1 1 37 37 LEU CD2 C 13 23.700 0.5 . 1 . . . . . 37 LEU CD2 . 26921 1 398 . 1 1 37 37 LEU N N 15 125.980 0.5 . 1 . . . . . 37 LEU N . 26921 1 399 . 1 1 38 38 PRO HA H 1 4.300 0.05 . 1 . . . . . 38 PRO HA . 26921 1 400 . 1 1 38 38 PRO HB2 H 1 2.250 0.05 . 2 . . . . . 38 PRO HB2 . 26921 1 401 . 1 1 38 38 PRO HB3 H 1 2.250 0.05 . 2 . . . . . 38 PRO HB3 . 26921 1 402 . 1 1 38 38 PRO HG2 H 1 1.950 0.05 . 2 . . . . . 38 PRO HG2 . 26921 1 403 . 1 1 38 38 PRO HG3 H 1 1.950 0.05 . 2 . . . . . 38 PRO HG3 . 26921 1 404 . 1 1 38 38 PRO HD2 H 1 3.580 0.05 . 2 . . . . . 38 PRO HD2 . 26921 1 405 . 1 1 38 38 PRO HD3 H 1 3.580 0.05 . 2 . . . . . 38 PRO HD3 . 26921 1 406 . 1 1 38 38 PRO C C 13 176.860 0.5 . 1 . . . . . 38 PRO C . 26921 1 407 . 1 1 38 38 PRO CA C 13 62.650 0.5 . 1 . . . . . 38 PRO CA . 26921 1 408 . 1 1 38 38 PRO CB C 13 32.070 0.5 . 1 . . . . . 38 PRO CB . 26921 1 409 . 1 1 38 38 PRO CG C 13 27.200 0.5 . 1 . . . . . 38 PRO CG . 26921 1 410 . 1 1 38 38 PRO CD C 13 50.400 0.5 . 1 . . . . . 38 PRO CD . 26921 1 411 . 1 1 39 39 MET H H 1 8.520 0.05 . 1 . . . . . 39 MET HN . 26921 1 412 . 1 1 39 39 MET HA H 1 4.400 0.05 . 1 . . . . . 39 MET HA . 26921 1 413 . 1 1 39 39 MET HB2 H 1 2.010 0.05 . 2 . . . . . 39 MET HB2 . 26921 1 414 . 1 1 39 39 MET HB3 H 1 2.010 0.05 . 2 . . . . . 39 MET HB3 . 26921 1 415 . 1 1 39 39 MET HG2 H 1 2.560 0.05 . 2 . . . . . 39 MET HG2 . 26921 1 416 . 1 1 39 39 MET HG3 H 1 2.560 0.05 . 2 . . . . . 39 MET HG3 . 26921 1 417 . 1 1 39 39 MET C C 13 176.870 0.5 . 1 . . . . . 39 MET C . 26921 1 418 . 1 1 39 39 MET CA C 13 55.640 0.5 . 1 . . . . . 39 MET CA . 26921 1 419 . 1 1 39 39 MET CB C 13 32.750 0.5 . 1 . . . . . 39 MET CB . 26921 1 420 . 1 1 39 39 MET CG C 13 31.950 0.5 . 1 . . . . . 39 MET CG . 26921 1 421 . 1 1 39 39 MET N N 15 120.600 0.5 . 1 . . . . . 39 MET N . 26921 1 422 . 1 1 40 40 GLY H H 1 8.459 0.05 . 1 . . . . . 40 GLY HN . 26921 1 423 . 1 1 40 40 GLY HA2 H 1 3.930 0.05 . 2 . . . . . 40 GLY HA2 . 26921 1 424 . 1 1 40 40 GLY HA3 H 1 3.930 0.05 . 2 . . . . . 40 GLY HA3 . 26921 1 425 . 1 1 40 40 GLY C C 13 173.830 0.5 . 1 . . . . . 40 GLY C . 26921 1 426 . 1 1 40 40 GLY CA C 13 45.380 0.5 . 1 . . . . . 40 GLY CA . 26921 1 427 . 1 1 40 40 GLY N N 15 110.460 0.5 . 1 . . . . . 40 GLY N . 26921 1 428 . 1 1 41 41 GLU H H 1 8.340 0.05 . 1 . . . . . 41 GLU HN . 26921 1 429 . 1 1 41 41 GLU HA H 1 4.340 0.05 . 1 . . . . . 41 GLU HA . 26921 1 430 . 1 1 41 41 GLU HB2 H 1 1.880 0.05 . 2 . . . . . 41 GLU HB2 . 26921 1 431 . 1 1 41 41 GLU HB3 H 1 1.880 0.05 . 2 . . . . . 41 GLU HB3 . 26921 1 432 . 1 1 41 41 GLU HG2 H 1 2.200 0.05 . 2 . . . . . 41 GLU HG2 . 26921 1 433 . 1 1 41 41 GLU HG3 H 1 2.200 0.05 . 2 . . . . . 41 GLU HG3 . 26921 1 434 . 1 1 41 41 GLU C C 13 176.580 0.5 . 1 . . . . . 41 GLU C . 26921 1 435 . 1 1 41 41 GLU CA C 13 56.230 0.5 . 1 . . . . . 41 GLU CA . 26921 1 436 . 1 1 41 41 GLU CB C 13 30.580 0.5 . 1 . . . . . 41 GLU CB . 26921 1 437 . 1 1 41 41 GLU CG C 13 36.040 0.5 . 1 . . . . . 41 GLU CG . 26921 1 438 . 1 1 41 41 GLU N N 15 120.190 0.5 . 1 . . . . . 41 GLU N . 26921 1 439 . 1 1 42 42 GLY H H 1 8.400 0.05 . 1 . . . . . 42 GLY HN . 26921 1 440 . 1 1 42 42 GLY HA2 H 1 4.040 0.05 . 2 . . . . . 42 GLY HA2 . 26921 1 441 . 1 1 42 42 GLY HA3 H 1 4.040 0.05 . 2 . . . . . 42 GLY HA3 . 26921 1 442 . 1 1 42 42 GLY C C 13 171.770 0.5 . 1 . . . . . 42 GLY C . 26921 1 443 . 1 1 42 42 GLY CA C 13 44.750 0.5 . 1 . . . . . 42 GLY CA . 26921 1 444 . 1 1 42 42 GLY N N 15 110.050 0.5 . 1 . . . . . 42 GLY N . 26921 1 445 . 1 1 43 43 PRO HA H 1 4.430 0.05 . 1 . . . . . 43 PRO HA . 26921 1 446 . 1 1 43 43 PRO HB2 H 1 2.240 0.05 . 2 . . . . . 43 PRO HB2 . 26921 1 447 . 1 1 43 43 PRO HB3 H 1 2.240 0.05 . 2 . . . . . 43 PRO HB3 . 26921 1 448 . 1 1 43 43 PRO HG2 H 1 1.920 0.05 . 2 . . . . . 43 PRO HG2 . 26921 1 449 . 1 1 43 43 PRO HG3 H 1 1.920 0.05 . 2 . . . . . 43 PRO HG3 . 26921 1 450 . 1 1 43 43 PRO HD2 H 1 3.580 0.05 . 2 . . . . . 43 PRO HD2 . 26921 1 451 . 1 1 43 43 PRO HD3 H 1 3.580 0.05 . 2 . . . . . 43 PRO HD3 . 26921 1 452 . 1 1 43 43 PRO C C 13 177.240 0.5 . 1 . . . . . 43 PRO C . 26921 1 453 . 1 1 43 43 PRO CA C 13 62.990 0.5 . 1 . . . . . 43 PRO CA . 26921 1 454 . 1 1 43 43 PRO CB C 13 32.280 0.5 . 1 . . . . . 43 PRO CB . 26921 1 455 . 1 1 43 43 PRO CG C 13 27.000 0.5 . 1 . . . . . 43 PRO CG . 26921 1 456 . 1 1 43 43 PRO CD C 13 50.000 0.5 . 1 . . . . . 43 PRO CD . 26921 1 457 . 1 1 44 44 SER H H 1 8.540 0.05 . 1 . . . . . 44 SER HN . 26921 1 458 . 1 1 44 44 SER HA H 1 4.420 0.05 . 1 . . . . . 44 SER HA . 26921 1 459 . 1 1 44 44 SER HB2 H 1 3.820 0.05 . 2 . . . . . 44 SER HB2 . 26921 1 460 . 1 1 44 44 SER HB3 H 1 3.820 0.05 . 2 . . . . . 44 SER HB3 . 26921 1 461 . 1 1 44 44 SER C C 13 174.200 0.5 . 1 . . . . . 44 SER C . 26921 1 462 . 1 1 44 44 SER CA C 13 58.340 0.5 . 1 . . . . . 44 SER CA . 26921 1 463 . 1 1 44 44 SER CB C 13 63.600 0.5 . 1 . . . . . 44 SER CB . 26921 1 464 . 1 1 44 44 SER N N 15 116.250 0.5 . 1 . . . . . 44 SER N . 26921 1 465 . 1 1 45 45 SER H H 1 8.280 0.05 . 1 . . . . . 45 SER HN . 26921 1 466 . 1 1 45 45 SER HA H 1 4.700 0.05 . 1 . . . . . 45 SER HA . 26921 1 467 . 1 1 45 45 SER HB2 H 1 3.740 0.05 . 2 . . . . . 45 SER HB2 . 26921 1 468 . 1 1 45 45 SER HB3 H 1 3.740 0.05 . 2 . . . . . 45 SER HB3 . 26921 1 469 . 1 1 45 45 SER C C 13 171.810 0.5 . 1 . . . . . 45 SER C . 26921 1 470 . 1 1 45 45 SER CA C 13 56.740 0.5 . 1 . . . . . 45 SER CA . 26921 1 471 . 1 1 45 45 SER CB C 13 63.150 0.5 . 1 . . . . . 45 SER CB . 26921 1 472 . 1 1 45 45 SER N N 15 118.878 0.5 . 1 . . . . . 45 SER N . 26921 1 473 . 1 1 46 46 PRO HA H 1 4.370 0.05 . 1 . . . . . 46 PRO HA . 26921 1 474 . 1 1 46 46 PRO HB2 H 1 2.240 0.05 . 2 . . . . . 46 PRO HB2 . 26921 1 475 . 1 1 46 46 PRO HB3 H 1 2.240 0.05 . 2 . . . . . 46 PRO HB3 . 26921 1 476 . 1 1 46 46 PRO HG2 H 1 1.930 0.05 . 2 . . . . . 46 PRO HG2 . 26921 1 477 . 1 1 46 46 PRO HG3 H 1 1.930 0.05 . 2 . . . . . 46 PRO HG3 . 26921 1 478 . 1 1 46 46 PRO HD2 H 1 3.700 0.05 . 2 . . . . . 46 PRO HD2 . 26921 1 479 . 1 1 46 46 PRO HD3 H 1 3.700 0.05 . 2 . . . . . 46 PRO HD3 . 26921 1 480 . 1 1 46 46 PRO CA C 13 63.210 0.5 . 1 . . . . . 46 PRO CA . 26921 1 481 . 1 1 46 46 PRO CB C 13 32.140 0.5 . 1 . . . . . 46 PRO CB . 26921 1 482 . 1 1 46 46 PRO CG C 13 27.200 0.5 . 1 . . . . . 46 PRO CG . 26921 1 483 . 1 1 46 46 PRO CD C 13 50.300 0.5 . 1 . . . . . 46 PRO CD . 26921 1 484 . 1 1 47 47 PRO HA H 1 4.370 0.05 . 1 . . . . . 47 PRO HA . 26921 1 485 . 1 1 47 47 PRO HB2 H 1 2.240 0.05 . 2 . . . . . 47 PRO HB2 . 26921 1 486 . 1 1 47 47 PRO HB3 H 1 2.240 0.05 . 2 . . . . . 47 PRO HB3 . 26921 1 487 . 1 1 47 47 PRO HG2 H 1 1.930 0.05 . 2 . . . . . 47 PRO HG2 . 26921 1 488 . 1 1 47 47 PRO HG3 H 1 1.930 0.05 . 2 . . . . . 47 PRO HG3 . 26921 1 489 . 1 1 47 47 PRO HD2 H 1 3.700 0.05 . 2 . . . . . 47 PRO HD2 . 26921 1 490 . 1 1 47 47 PRO HD3 H 1 3.700 0.05 . 2 . . . . . 47 PRO HD3 . 26921 1 491 . 1 1 47 47 PRO C C 13 176.410 0.5 . 1 . . . . . 47 PRO C . 26921 1 492 . 1 1 47 47 PRO CA C 13 62.680 0.5 . 1 . . . . . 47 PRO CA . 26921 1 493 . 1 1 47 47 PRO CB C 13 31.990 0.5 . 1 . . . . . 47 PRO CB . 26921 1 494 . 1 1 47 47 PRO CG C 13 27.000 0.5 . 1 . . . . . 47 PRO CG . 26921 1 495 . 1 1 47 47 PRO CD C 13 50.200 0.5 . 1 . . . . . 47 PRO CD . 26921 1 496 . 1 1 48 48 CYS H H 1 8.530 0.05 . 1 . . . . . 48 CYS HN . 26921 1 497 . 1 1 48 48 CYS HA H 1 4.700 0.05 . 1 . . . . . 48 CYS HA . 26921 1 498 . 1 1 48 48 CYS HB2 H 1 2.830 0.05 . 2 . . . . . 48 CYS HB2 . 26921 1 499 . 1 1 48 48 CYS HB3 H 1 2.830 0.05 . 2 . . . . . 48 CYS HB3 . 26921 1 500 . 1 1 48 48 CYS C C 13 171.810 0.5 . 1 . . . . . 48 CYS C . 26921 1 501 . 1 1 48 48 CYS CA C 13 56.400 0.5 . 1 . . . . . 48 CYS CA . 26921 1 502 . 1 1 48 48 CYS CB C 13 27.760 0.5 . 1 . . . . . 48 CYS CB . 26921 1 503 . 1 1 48 48 CYS N N 15 121.230 0.5 . 1 . . . . . 48 CYS N . 26921 1 504 . 1 1 49 49 PRO HA H 1 4.400 0.05 . 1 . . . . . 49 PRO HA . 26921 1 505 . 1 1 49 49 PRO HB2 H 1 2.200 0.05 . 2 . . . . . 49 PRO HB2 . 26921 1 506 . 1 1 49 49 PRO HB3 H 1 2.200 0.05 . 2 . . . . . 49 PRO HB3 . 26921 1 507 . 1 1 49 49 PRO HG2 H 1 1.960 0.05 . 2 . . . . . 49 PRO HG2 . 26921 1 508 . 1 1 49 49 PRO HG3 H 1 1.960 0.05 . 2 . . . . . 49 PRO HG3 . 26921 1 509 . 1 1 49 49 PRO HD2 H 1 3.750 0.05 . 2 . . . . . 49 PRO HD2 . 26921 1 510 . 1 1 49 49 PRO HD3 H 1 3.750 0.05 . 2 . . . . . 49 PRO HD3 . 26921 1 511 . 1 1 49 49 PRO C C 13 176.640 0.5 . 1 . . . . . 49 PRO C . 26921 1 512 . 1 1 49 49 PRO CA C 13 63.280 0.5 . 1 . . . . . 49 PRO CA . 26921 1 513 . 1 1 49 49 PRO CB C 13 32.230 0.5 . 1 . . . . . 49 PRO CB . 26921 1 514 . 1 1 49 49 PRO CG C 13 27.200 0.5 . 1 . . . . . 49 PRO CG . 26921 1 515 . 1 1 49 49 PRO CD C 13 50.400 0.5 . 1 . . . . . 49 PRO CD . 26921 1 516 . 1 1 50 50 THR H H 1 8.160 0.05 . 1 . . . . . 50 THR HN . 26921 1 517 . 1 1 50 50 THR HA H 1 4.400 0.05 . 1 . . . . . 50 THR HA . 26921 1 518 . 1 1 50 50 THR HB H 1 4.220 0.05 . 1 . . . . . 50 THR HB . 26921 1 519 . 1 1 50 50 THR HG21 H 1 1.100 0.05 . 1 . . . . . 50 THR HG21 . 26921 1 520 . 1 1 50 50 THR HG22 H 1 1.100 0.05 . 1 . . . . . 50 THR HG21 . 26921 1 521 . 1 1 50 50 THR HG23 H 1 1.100 0.05 . 1 . . . . . 50 THR HG21 . 26921 1 522 . 1 1 50 50 THR C C 13 174.190 0.5 . 1 . . . . . 50 THR C . 26921 1 523 . 1 1 50 50 THR CA C 13 61.600 0.5 . 1 . . . . . 50 THR CA . 26921 1 524 . 1 1 50 50 THR CB C 13 70.070 0.5 . 1 . . . . . 50 THR CB . 26921 1 525 . 1 1 50 50 THR CG2 C 13 21.700 0.5 . 1 . . . . . 50 THR CG2 . 26921 1 526 . 1 1 50 50 THR N N 15 113.980 0.5 . 1 . . . . . 50 THR N . 26921 1 527 . 1 1 51 51 TYR H H 1 8.340 0.05 . 1 . . . . . 51 TYR HN . 26921 1 528 . 1 1 51 51 TYR HA H 1 4.510 0.05 . 1 . . . . . 51 TYR HA . 26921 1 529 . 1 1 51 51 TYR HB2 H 1 2.940 0.05 . 2 . . . . . 51 TYR HB2 . 26921 1 530 . 1 1 51 51 TYR HB3 H 1 2.940 0.05 . 2 . . . . . 51 TYR HB3 . 26921 1 531 . 1 1 51 51 TYR HD1 H 1 6.760 0.05 . 3 . . . . . 51 TYR HD1 . 26921 1 532 . 1 1 51 51 TYR HD2 H 1 6.760 0.05 . 3 . . . . . 51 TYR HD2 . 26921 1 533 . 1 1 51 51 TYR HE1 H 1 7.050 0.05 . 3 . . . . . 51 TYR HE1 . 26921 1 534 . 1 1 51 51 TYR HE2 H 1 7.050 0.05 . 3 . . . . . 51 TYR HE2 . 26921 1 535 . 1 1 51 51 TYR C C 13 175.430 0.5 . 1 . . . . . 51 TYR C . 26921 1 536 . 1 1 51 51 TYR CA C 13 57.800 0.5 . 1 . . . . . 51 TYR CA . 26921 1 537 . 1 1 51 51 TYR CB C 13 38.570 0.5 . 1 . . . . . 51 TYR CB . 26921 1 538 . 1 1 51 51 TYR N N 15 122.880 0.5 . 1 . . . . . 51 TYR N . 26921 1 539 . 1 1 52 52 ASN H H 1 8.420 0.05 . 1 . . . . . 52 ASN HN . 26921 1 540 . 1 1 52 52 ASN HA H 1 4.590 0.05 . 1 . . . . . 52 ASN HA . 26921 1 541 . 1 1 52 52 ASN HB2 H 1 2.700 0.05 . 2 . . . . . 52 ASN HB2 . 26921 1 542 . 1 1 52 52 ASN HB3 H 1 2.700 0.05 . 2 . . . . . 52 ASN HB3 . 26921 1 543 . 1 1 52 52 ASN HD21 H 1 7.030 0.05 . 2 . . . . . 52 ASN HD21 . 26921 1 544 . 1 1 52 52 ASN HD22 H 1 7.680 0.05 . 2 . . . . . 52 ASN HD22 . 26921 1 545 . 1 1 52 52 ASN C C 13 175.280 0.5 . 1 . . . . . 52 ASN C . 26921 1 546 . 1 1 52 52 ASN CA C 13 52.790 0.5 . 1 . . . . . 52 ASN CA . 26921 1 547 . 1 1 52 52 ASN CB C 13 38.710 0.5 . 1 . . . . . 52 ASN CB . 26921 1 548 . 1 1 52 52 ASN N N 15 122.050 0.5 . 1 . . . . . 52 ASN N . 26921 1 549 . 1 1 53 53 GLY H H 1 7.680 0.05 . 1 . . . . . 53 GLY HN . 26921 1 550 . 1 1 53 53 GLY HA2 H 1 3.820 0.05 . 2 . . . . . 53 GLY HA2 . 26921 1 551 . 1 1 53 53 GLY HA3 H 1 3.820 0.05 . 2 . . . . . 53 GLY HA3 . 26921 1 552 . 1 1 53 53 GLY C C 13 173.890 0.5 . 1 . . . . . 53 GLY C . 26921 1 553 . 1 1 53 53 GLY CA C 13 45.320 0.5 . 1 . . . . . 53 GLY CA . 26921 1 554 . 1 1 53 53 GLY N N 15 108.390 0.5 . 1 . . . . . 53 GLY N . 26921 1 555 . 1 1 54 54 LEU H H 1 8.070 0.05 . 1 . . . . . 54 LEU HN . 26921 1 556 . 1 1 54 54 LEU HA H 1 4.370 0.05 . 1 . . . . . 54 LEU HA . 26921 1 557 . 1 1 54 54 LEU HB2 H 1 1.600 0.05 . 2 . . . . . 54 LEU HB2 . 26921 1 558 . 1 1 54 54 LEU HB3 H 1 1.600 0.05 . 2 . . . . . 54 LEU HB3 . 26921 1 559 . 1 1 54 54 LEU HG H 1 1.600 0.05 . 1 . . . . . 54 LEU HG . 26921 1 560 . 1 1 54 54 LEU HD11 H 1 0.830 0.05 . 2 . . . . . 54 LEU HD11 . 26921 1 561 . 1 1 54 54 LEU HD12 H 1 0.830 0.05 . 2 . . . . . 54 LEU HD11 . 26921 1 562 . 1 1 54 54 LEU HD13 H 1 0.830 0.05 . 2 . . . . . 54 LEU HD11 . 26921 1 563 . 1 1 54 54 LEU HD21 H 1 0.830 0.05 . 2 . . . . . 54 LEU HD21 . 26921 1 564 . 1 1 54 54 LEU HD22 H 1 0.830 0.05 . 2 . . . . . 54 LEU HD21 . 26921 1 565 . 1 1 54 54 LEU HD23 H 1 0.830 0.05 . 2 . . . . . 54 LEU HD21 . 26921 1 566 . 1 1 54 54 LEU C C 13 177.680 0.5 . 1 . . . . . 54 LEU C . 26921 1 567 . 1 1 54 54 LEU CA C 13 54.930 0.5 . 1 . . . . . 54 LEU CA . 26921 1 568 . 1 1 54 54 LEU CB C 13 42.510 0.5 . 1 . . . . . 54 LEU CB . 26921 1 569 . 1 1 54 54 LEU CG C 13 26.670 0.5 . 1 . . . . . 54 LEU CG . 26921 1 570 . 1 1 54 54 LEU CD1 C 13 25.200 0.5 . 1 . . . . . 54 LEU CD1 . 26921 1 571 . 1 1 54 54 LEU CD2 C 13 25.200 0.5 . 1 . . . . . 54 LEU CD2 . 26921 1 572 . 1 1 54 54 LEU N N 15 121.020 0.5 . 1 . . . . . 54 LEU N . 26921 1 573 . 1 1 55 55 SER H H 1 8.480 0.05 . 1 . . . . . 55 SER HN . 26921 1 574 . 1 1 55 55 SER HA H 1 4.370 0.05 . 1 . . . . . 55 SER HA . 26921 1 575 . 1 1 55 55 SER HB2 H 1 3.790 0.05 . 2 . . . . . 55 SER HB2 . 26921 1 576 . 1 1 55 55 SER HB3 H 1 3.790 0.05 . 2 . . . . . 55 SER HB3 . 26921 1 577 . 1 1 55 55 SER C C 13 174.820 0.5 . 1 . . . . . 55 SER C . 26921 1 578 . 1 1 55 55 SER CA C 13 58.400 0.5 . 1 . . . . . 55 SER CA . 26921 1 579 . 1 1 55 55 SER CB C 13 63.940 0.5 . 1 . . . . . 55 SER CB . 26921 1 580 . 1 1 55 55 SER N N 15 116.880 0.5 . 1 . . . . . 55 SER N . 26921 1 581 . 1 1 56 56 SER H H 1 8.550 0.05 . 1 . . . . . 56 SER HN . 26921 1 582 . 1 1 56 56 SER HA H 1 4.400 0.05 . 1 . . . . . 56 SER HA . 26921 1 583 . 1 1 56 56 SER HB2 H 1 3.870 0.05 . 2 . . . . . 56 SER HB2 . 26921 1 584 . 1 1 56 56 SER HB3 H 1 3.870 0.05 . 2 . . . . . 56 SER HB3 . 26921 1 585 . 1 1 56 56 SER C C 13 175.340 0.5 . 1 . . . . . 56 SER C . 26921 1 586 . 1 1 56 56 SER CA C 13 58.770 0.5 . 1 . . . . . 56 SER CA . 26921 1 587 . 1 1 56 56 SER CB C 13 63.360 0.5 . 1 . . . . . 56 SER CB . 26921 1 588 . 1 1 56 56 SER N N 15 117.910 0.5 . 1 . . . . . 56 SER N . 26921 1 589 . 1 1 57 57 THR H H 1 8.190 0.05 . 1 . . . . . 57 THR HN . 26921 1 590 . 1 1 57 57 THR HA H 1 4.410 0.05 . 1 . . . . . 57 THR HA . 26921 1 591 . 1 1 57 57 THR HB H 1 4.230 0.05 . 1 . . . . . 57 THR HB . 26921 1 592 . 1 1 57 57 THR HG21 H 1 1.120 0.05 . 1 . . . . . 57 THR HG21 . 26921 1 593 . 1 1 57 57 THR HG22 H 1 1.120 0.05 . 1 . . . . . 57 THR HG21 . 26921 1 594 . 1 1 57 57 THR HG23 H 1 1.120 0.05 . 1 . . . . . 57 THR HG21 . 26921 1 595 . 1 1 57 57 THR C C 13 175.200 0.5 . 1 . . . . . 57 THR C . 26921 1 596 . 1 1 57 57 THR CA C 13 62.900 0.5 . 1 . . . . . 57 THR CA . 26921 1 597 . 1 1 57 57 THR CB C 13 69.410 0.5 . 1 . . . . . 57 THR CB . 26921 1 598 . 1 1 57 57 THR CG2 C 13 21.400 0.5 . 1 . . . . . 57 THR CG2 . 26921 1 599 . 1 1 57 57 THR N N 15 115.430 0.5 . 1 . . . . . 57 THR N . 26921 1 600 . 1 1 58 58 GLU H H 1 8.240 0.05 . 1 . . . . . 58 GLU HN . 26921 1 601 . 1 1 58 58 GLU HA H 1 4.120 0.05 . 1 . . . . . 58 GLU HA . 26921 1 602 . 1 1 58 58 GLU HB2 H 1 1.930 0.05 . 2 . . . . . 58 GLU HB2 . 26921 1 603 . 1 1 58 58 GLU HB3 H 1 1.930 0.05 . 2 . . . . . 58 GLU HB3 . 26921 1 604 . 1 1 58 58 GLU HG2 H 1 2.150 0.05 . 2 . . . . . 58 GLU HG2 . 26921 1 605 . 1 1 58 58 GLU HG3 H 1 2.150 0.05 . 2 . . . . . 58 GLU HG3 . 26921 1 606 . 1 1 58 58 GLU C C 13 177.050 0.5 . 1 . . . . . 58 GLU C . 26921 1 607 . 1 1 58 58 GLU CA C 13 57.020 0.5 . 1 . . . . . 58 GLU CA . 26921 1 608 . 1 1 58 58 GLU CB C 13 29.730 0.5 . 1 . . . . . 58 GLU CB . 26921 1 609 . 1 1 58 58 GLU CG C 13 36.050 0.5 . 1 . . . . . 58 GLU CG . 26921 1 610 . 1 1 58 58 GLU N N 15 122.670 0.5 . 1 . . . . . 58 GLU N . 26921 1 611 . 1 1 59 59 GLN H H 1 8.360 0.05 . 1 . . . . . 59 GLN HN . 26921 1 612 . 1 1 59 59 GLN HA H 1 4.100 0.05 . 1 . . . . . 59 GLN HA . 26921 1 613 . 1 1 59 59 GLN HB2 H 1 1.800 0.05 . 2 . . . . . 59 GLN HB2 . 26921 1 614 . 1 1 59 59 GLN HB3 H 1 1.800 0.05 . 2 . . . . . 59 GLN HB3 . 26921 1 615 . 1 1 59 59 GLN HG2 H 1 2.200 0.05 . 2 . . . . . 59 GLN HG2 . 26921 1 616 . 1 1 59 59 GLN HG3 H 1 2.200 0.05 . 2 . . . . . 59 GLN HG3 . 26921 1 617 . 1 1 59 59 GLN HE21 H 1 6.890 0.05 . 2 . . . . . 59 GLN HE21 . 26921 1 618 . 1 1 59 59 GLN HE22 H 1 7.280 0.05 . 2 . . . . . 59 GLN HE22 . 26921 1 619 . 1 1 59 59 GLN C C 13 176.000 0.5 . 1 . . . . . 59 GLN C . 26921 1 620 . 1 1 59 59 GLN CA C 13 56.600 0.5 . 1 . . . . . 59 GLN CA . 26921 1 621 . 1 1 59 59 GLN CB C 13 29.920 0.5 . 1 . . . . . 59 GLN CB . 26921 1 622 . 1 1 59 59 GLN CG C 13 33.100 0.5 . 1 . . . . . 59 GLN CG . 26921 1 623 . 1 1 59 59 GLN N N 15 120.810 0.5 . 1 . . . . . 59 GLN N . 26921 1 624 . 1 1 60 60 ASN H H 1 8.350 0.05 . 1 . . . . . 60 ASN HN . 26921 1 625 . 1 1 60 60 ASN HA H 1 4.600 0.05 . 1 . . . . . 60 ASN HA . 26921 1 626 . 1 1 60 60 ASN HB2 H 1 2.720 0.05 . 2 . . . . . 60 ASN HB2 . 26921 1 627 . 1 1 60 60 ASN HB3 H 1 2.720 0.05 . 2 . . . . . 60 ASN HB3 . 26921 1 628 . 1 1 60 60 ASN HD21 H 1 6.990 0.05 . 2 . . . . . 60 ASN HD21 . 26921 1 629 . 1 1 60 60 ASN HD22 H 1 7.610 0.05 . 2 . . . . . 60 ASN HD22 . 26921 1 630 . 1 1 60 60 ASN C C 13 175.830 0.5 . 1 . . . . . 60 ASN C . 26921 1 631 . 1 1 60 60 ASN CA C 13 53.690 0.5 . 1 . . . . . 60 ASN CA . 26921 1 632 . 1 1 60 60 ASN CB C 13 38.360 0.5 . 1 . . . . . 60 ASN CB . 26921 1 633 . 1 1 60 60 ASN N N 15 119.150 0.5 . 1 . . . . . 60 ASN N . 26921 1 634 . 1 1 61 61 TRP H H 1 8.100 0.05 . 1 . . . . . 61 TRP HN . 26921 1 635 . 1 1 61 61 TRP HA H 1 4.600 0.05 . 1 . . . . . 61 TRP HA . 26921 1 636 . 1 1 61 61 TRP HB2 H 1 3.270 0.05 . 2 . . . . . 61 TRP HB2 . 26921 1 637 . 1 1 61 61 TRP HB3 H 1 3.270 0.05 . 2 . . . . . 61 TRP HB3 . 26921 1 638 . 1 1 61 61 TRP HD1 H 1 7.210 0.05 . 1 . . . . . 61 TRP HD1 . 26921 1 639 . 1 1 61 61 TRP C C 13 176.960 0.5 . 1 . . . . . 61 TRP C . 26921 1 640 . 1 1 61 61 TRP CA C 13 58.410 0.5 . 1 . . . . . 61 TRP CA . 26921 1 641 . 1 1 61 61 TRP CB C 13 29.280 0.5 . 1 . . . . . 61 TRP CB . 26921 1 642 . 1 1 61 61 TRP N N 15 121.920 0.5 . 1 . . . . . 61 TRP N . 26921 1 643 . 1 1 62 62 ALA H H 1 8.140 0.05 . 1 . . . . . 62 ALA HN . 26921 1 644 . 1 1 62 62 ALA HA H 1 4.040 0.05 . 1 . . . . . 62 ALA HA . 26921 1 645 . 1 1 62 62 ALA HB1 H 1 1.270 0.05 . 1 . . . . . 62 ALA HB1 . 26921 1 646 . 1 1 62 62 ALA HB2 H 1 1.270 0.05 . 1 . . . . . 62 ALA HB1 . 26921 1 647 . 1 1 62 62 ALA HB3 H 1 1.270 0.05 . 1 . . . . . 62 ALA HB1 . 26921 1 648 . 1 1 62 62 ALA C C 13 177.680 0.5 . 1 . . . . . 62 ALA C . 26921 1 649 . 1 1 62 62 ALA CA C 13 53.480 0.5 . 1 . . . . . 62 ALA CA . 26921 1 650 . 1 1 62 62 ALA CB C 13 18.760 0.5 . 1 . . . . . 62 ALA CB . 26921 1 651 . 1 1 62 62 ALA N N 15 122.050 0.5 . 1 . . . . . 62 ALA N . 26921 1 652 . 1 1 63 63 ASN H H 1 8.000 0.05 . 1 . . . . . 63 ASN HN . 26921 1 653 . 1 1 63 63 ASN HA H 1 4.610 0.05 . 1 . . . . . 63 ASN HA . 26921 1 654 . 1 1 63 63 ASN HB2 H 1 2.670 0.05 . 2 . . . . . 63 ASN HB2 . 26921 1 655 . 1 1 63 63 ASN HB3 H 1 2.830 0.05 . 2 . . . . . 63 ASN HB3 . 26921 1 656 . 1 1 63 63 ASN HD21 H 1 6.980 0.05 . 2 . . . . . 63 ASN HD21 . 26921 1 657 . 1 1 63 63 ASN HD22 H 1 7.680 0.05 . 2 . . . . . 63 ASN HD22 . 26921 1 658 . 1 1 63 63 ASN C C 13 175.270 0.5 . 1 . . . . . 63 ASN C . 26921 1 659 . 1 1 63 63 ASN CA C 13 52.980 0.5 . 1 . . . . . 63 ASN CA . 26921 1 660 . 1 1 63 63 ASN CB C 13 38.660 0.5 . 1 . . . . . 63 ASN CB . 26921 1 661 . 1 1 63 63 ASN N N 15 115.430 0.5 . 1 . . . . . 63 ASN N . 26921 1 662 . 1 1 64 64 LEU H H 1 7.740 0.05 . 1 . . . . . 64 LEU HN . 26921 1 663 . 1 1 64 64 LEU HA H 1 4.400 0.05 . 1 . . . . . 64 LEU HA . 26921 1 664 . 1 1 64 64 LEU HB2 H 1 1.540 0.05 . 2 . . . . . 64 LEU HB2 . 26921 1 665 . 1 1 64 64 LEU HB3 H 1 1.540 0.05 . 2 . . . . . 64 LEU HB3 . 26921 1 666 . 1 1 64 64 LEU HG H 1 1.500 0.05 . 1 . . . . . 64 LEU HG . 26921 1 667 . 1 1 64 64 LEU HD11 H 1 0.740 0.05 . 2 . . . . . 64 LEU HD11 . 26921 1 668 . 1 1 64 64 LEU HD12 H 1 0.740 0.05 . 2 . . . . . 64 LEU HD11 . 26921 1 669 . 1 1 64 64 LEU HD13 H 1 0.740 0.05 . 2 . . . . . 64 LEU HD11 . 26921 1 670 . 1 1 64 64 LEU HD21 H 1 0.740 0.05 . 2 . . . . . 64 LEU HD21 . 26921 1 671 . 1 1 64 64 LEU HD22 H 1 0.740 0.05 . 2 . . . . . 64 LEU HD21 . 26921 1 672 . 1 1 64 64 LEU HD23 H 1 0.740 0.05 . 2 . . . . . 64 LEU HD21 . 26921 1 673 . 1 1 64 64 LEU C C 13 177.860 0.5 . 1 . . . . . 64 LEU C . 26921 1 674 . 1 1 64 64 LEU CA C 13 54.920 0.5 . 1 . . . . . 64 LEU CA . 26921 1 675 . 1 1 64 64 LEU CB C 13 42.880 0.5 . 1 . . . . . 64 LEU CB . 26921 1 676 . 1 1 64 64 LEU CG C 13 26.600 0.5 . 1 . . . . . 64 LEU CG . 26921 1 677 . 1 1 64 64 LEU CD1 C 13 24.900 0.5 . 1 . . . . . 64 LEU CD1 . 26921 1 678 . 1 1 64 64 LEU CD2 C 13 24.900 0.5 . 1 . . . . . 64 LEU CD2 . 26921 1 679 . 1 1 64 64 LEU N N 15 121.640 0.5 . 1 . . . . . 64 LEU N . 26921 1 680 . 1 1 65 65 THR H H 1 8.540 0.05 . 1 . . . . . 65 THR HN . 26921 1 681 . 1 1 65 65 THR HA H 1 4.310 0.05 . 1 . . . . . 65 THR HA . 26921 1 682 . 1 1 65 65 THR HB H 1 4.010 0.05 . 1 . . . . . 65 THR HB . 26921 1 683 . 1 1 65 65 THR HG21 H 1 1.200 0.05 . 1 . . . . . 65 THR HG21 . 26921 1 684 . 1 1 65 65 THR HG22 H 1 1.200 0.05 . 1 . . . . . 65 THR HG21 . 26921 1 685 . 1 1 65 65 THR HG23 H 1 1.200 0.05 . 1 . . . . . 65 THR HG21 . 26921 1 686 . 1 1 65 65 THR C C 13 175.190 0.5 . 1 . . . . . 65 THR C . 26921 1 687 . 1 1 65 65 THR CA C 13 61.630 0.5 . 1 . . . . . 65 THR CA . 26921 1 688 . 1 1 65 65 THR CB C 13 70.630 0.5 . 1 . . . . . 65 THR CB . 26921 1 689 . 1 1 65 65 THR CG2 C 13 21.100 0.5 . 1 . . . . . 65 THR CG2 . 26921 1 690 . 1 1 65 65 THR N N 15 113.970 0.5 . 1 . . . . . 65 THR N . 26921 1 691 . 1 1 66 66 THR H H 1 8.420 0.05 . 1 . . . . . 66 THR HN . 26921 1 692 . 1 1 66 66 THR HA H 1 4.420 0.05 . 1 . . . . . 66 THR HA . 26921 1 693 . 1 1 66 66 THR HB H 1 3.880 0.05 . 1 . . . . . 66 THR HB . 26921 1 694 . 1 1 66 66 THR HG21 H 1 1.180 0.05 . 1 . . . . . 66 THR HG21 . 26921 1 695 . 1 1 66 66 THR HG22 H 1 1.180 0.05 . 1 . . . . . 66 THR HG21 . 26921 1 696 . 1 1 66 66 THR HG23 H 1 1.180 0.05 . 1 . . . . . 66 THR HG21 . 26921 1 697 . 1 1 66 66 THR C C 13 175.540 0.5 . 1 . . . . . 66 THR C . 26921 1 698 . 1 1 66 66 THR CA C 13 64.300 0.5 . 1 . . . . . 66 THR CA . 26921 1 699 . 1 1 66 66 THR CB C 13 68.920 0.5 . 1 . . . . . 66 THR CB . 26921 1 700 . 1 1 66 66 THR CG2 C 13 21.700 0.5 . 1 . . . . . 66 THR CG2 . 26921 1 701 . 1 1 66 66 THR N N 15 116.670 0.5 . 1 . . . . . 66 THR N . 26921 1 702 . 1 1 67 67 GLU H H 1 8.510 0.05 . 1 . . . . . 67 GLU HN . 26921 1 703 . 1 1 67 67 GLU HA H 1 4.120 0.05 . 1 . . . . . 67 GLU HA . 26921 1 704 . 1 1 67 67 GLU HB2 H 1 1.950 0.05 . 2 . . . . . 67 GLU HB2 . 26921 1 705 . 1 1 67 67 GLU HB3 H 1 1.950 0.05 . 2 . . . . . 67 GLU HB3 . 26921 1 706 . 1 1 67 67 GLU HG2 H 1 2.220 0.05 . 2 . . . . . 67 GLU HG2 . 26921 1 707 . 1 1 67 67 GLU HG3 H 1 2.220 0.05 . 2 . . . . . 67 GLU HG3 . 26921 1 708 . 1 1 67 67 GLU C C 13 177.940 0.5 . 1 . . . . . 67 GLU C . 26921 1 709 . 1 1 67 67 GLU CA C 13 58.530 0.5 . 1 . . . . . 67 GLU CA . 26921 1 710 . 1 1 67 67 GLU CB C 13 29.500 0.5 . 1 . . . . . 67 GLU CB . 26921 1 711 . 1 1 67 67 GLU CG C 13 36.050 0.5 . 1 . . . . . 67 GLU CG . 26921 1 712 . 1 1 67 67 GLU N N 15 121.430 0.5 . 1 . . . . . 67 GLU N . 26921 1 713 . 1 1 68 68 GLU H H 1 8.070 0.05 . 1 . . . . . 68 GLU HN . 26921 1 714 . 1 1 68 68 GLU HA H 1 4.330 0.05 . 1 . . . . . 68 GLU HA . 26921 1 715 . 1 1 68 68 GLU HB2 H 1 1.970 0.05 . 2 . . . . . 68 GLU HB2 . 26921 1 716 . 1 1 68 68 GLU HB3 H 1 1.970 0.05 . 2 . . . . . 68 GLU HB3 . 26921 1 717 . 1 1 68 68 GLU HG2 H 1 2.250 0.05 . 2 . . . . . 68 GLU HG2 . 26921 1 718 . 1 1 68 68 GLU HG3 H 1 2.250 0.05 . 2 . . . . . 68 GLU HG3 . 26921 1 719 . 1 1 68 68 GLU C C 13 178.000 0.5 . 1 . . . . . 68 GLU C . 26921 1 720 . 1 1 68 68 GLU CA C 13 57.750 0.5 . 1 . . . . . 68 GLU CA . 26921 1 721 . 1 1 68 68 GLU CB C 13 31.200 0.5 . 1 . . . . . 68 GLU CB . 26921 1 722 . 1 1 68 68 GLU CG C 13 36.050 0.5 . 1 . . . . . 68 GLU CG . 26921 1 723 . 1 1 68 68 GLU N N 15 121.020 0.5 . 1 . . . . . 68 GLU N . 26921 1 724 . 1 1 69 69 ARG H H 1 8.250 0.05 . 1 . . . . . 69 ARG HN . 26921 1 725 . 1 1 69 69 ARG HA H 1 4.290 0.05 . 1 . . . . . 69 ARG HA . 26921 1 726 . 1 1 69 69 ARG HB2 H 1 1.740 0.05 . 2 . . . . . 69 ARG HB2 . 26921 1 727 . 1 1 69 69 ARG HB3 H 1 1.740 0.05 . 2 . . . . . 69 ARG HB3 . 26921 1 728 . 1 1 69 69 ARG HG2 H 1 1.590 0.05 . 2 . . . . . 69 ARG HG2 . 26921 1 729 . 1 1 69 69 ARG HG3 H 1 1.590 0.05 . 2 . . . . . 69 ARG HG3 . 26921 1 730 . 1 1 69 69 ARG HD2 H 1 3.110 0.05 . 2 . . . . . 69 ARG HD2 . 26921 1 731 . 1 1 69 69 ARG HD3 H 1 3.110 0.05 . 2 . . . . . 69 ARG HD3 . 26921 1 732 . 1 1 69 69 ARG C C 13 177.430 0.5 . 1 . . . . . 69 ARG C . 26921 1 733 . 1 1 69 69 ARG CA C 13 57.870 0.5 . 1 . . . . . 69 ARG CA . 26921 1 734 . 1 1 69 69 ARG CB C 13 30.690 0.5 . 1 . . . . . 69 ARG CB . 26921 1 735 . 1 1 69 69 ARG CG C 13 26.900 0.5 . 1 . . . . . 69 ARG CG . 26921 1 736 . 1 1 69 69 ARG CD C 13 43.300 0.5 . 1 . . . . . 69 ARG CD . 26921 1 737 . 1 1 69 69 ARG N N 15 120.880 0.5 . 1 . . . . . 69 ARG N . 26921 1 738 . 1 1 70 70 LEU H H 1 8.030 0.05 . 1 . . . . . 70 LEU HN . 26921 1 739 . 1 1 70 70 LEU HA H 1 4.290 0.05 . 1 . . . . . 70 LEU HA . 26921 1 740 . 1 1 70 70 LEU HB2 H 1 1.650 0.05 . 2 . . . . . 70 LEU HB2 . 26921 1 741 . 1 1 70 70 LEU HB3 H 1 1.650 0.05 . 2 . . . . . 70 LEU HB3 . 26921 1 742 . 1 1 70 70 LEU HG H 1 1.600 0.05 . 1 . . . . . 70 LEU HG . 26921 1 743 . 1 1 70 70 LEU HD11 H 1 0.840 0.05 . 2 . . . . . 70 LEU HD11 . 26921 1 744 . 1 1 70 70 LEU HD12 H 1 0.840 0.05 . 2 . . . . . 70 LEU HD11 . 26921 1 745 . 1 1 70 70 LEU HD13 H 1 0.840 0.05 . 2 . . . . . 70 LEU HD11 . 26921 1 746 . 1 1 70 70 LEU HD21 H 1 0.840 0.05 . 2 . . . . . 70 LEU HD21 . 26921 1 747 . 1 1 70 70 LEU HD22 H 1 0.840 0.05 . 2 . . . . . 70 LEU HD21 . 26921 1 748 . 1 1 70 70 LEU HD23 H 1 0.840 0.05 . 2 . . . . . 70 LEU HD21 . 26921 1 749 . 1 1 70 70 LEU C C 13 178.480 0.5 . 1 . . . . . 70 LEU C . 26921 1 750 . 1 1 70 70 LEU CA C 13 56.080 0.5 . 1 . . . . . 70 LEU CA . 26921 1 751 . 1 1 70 70 LEU CB C 13 42.290 0.5 . 1 . . . . . 70 LEU CB . 26921 1 752 . 1 1 70 70 LEU CG C 13 26.900 0.5 . 1 . . . . . 70 LEU CG . 26921 1 753 . 1 1 70 70 LEU CD1 C 13 24.600 0.5 . 1 . . . . . 70 LEU CD1 . 26921 1 754 . 1 1 70 70 LEU CD2 C 13 24.300 0.5 . 1 . . . . . 70 LEU CD2 . 26921 1 755 . 1 1 70 70 LEU N N 15 121.020 0.5 . 1 . . . . . 70 LEU N . 26921 1 756 . 1 1 71 71 THR H H 1 7.980 0.05 . 1 . . . . . 71 THR HN . 26921 1 757 . 1 1 71 71 THR HA H 1 4.290 0.05 . 1 . . . . . 71 THR HA . 26921 1 758 . 1 1 71 71 THR HB H 1 4.020 0.05 . 1 . . . . . 71 THR HB . 26921 1 759 . 1 1 71 71 THR HG21 H 1 1.150 0.05 . 1 . . . . . 71 THR HG21 . 26921 1 760 . 1 1 71 71 THR HG22 H 1 1.150 0.05 . 1 . . . . . 71 THR HG21 . 26921 1 761 . 1 1 71 71 THR HG23 H 1 1.150 0.05 . 1 . . . . . 71 THR HG21 . 26921 1 762 . 1 1 71 71 THR C C 13 174.930 0.5 . 1 . . . . . 71 THR C . 26921 1 763 . 1 1 71 71 THR CA C 13 62.360 0.5 . 1 . . . . . 71 THR CA . 26921 1 764 . 1 1 71 71 THR CB C 13 69.750 0.5 . 1 . . . . . 71 THR CB . 26921 1 765 . 1 1 71 71 THR CG2 C 13 21.690 0.5 . 1 . . . . . 71 THR CG2 . 26921 1 766 . 1 1 71 71 THR N N 15 112.740 0.5 . 1 . . . . . 71 THR N . 26921 1 767 . 1 1 72 72 SER H H 1 8.040 0.05 . 1 . . . . . 72 SER HN . 26921 1 768 . 1 1 72 72 SER HA H 1 4.450 0.05 . 1 . . . . . 72 SER HA . 26921 1 769 . 1 1 72 72 SER HB2 H 1 3.900 0.05 . 2 . . . . . 72 SER HB2 . 26921 1 770 . 1 1 72 72 SER HB3 H 1 3.900 0.05 . 2 . . . . . 72 SER HB3 . 26921 1 771 . 1 1 72 72 SER C C 13 174.500 0.5 . 1 . . . . . 72 SER C . 26921 1 772 . 1 1 72 72 SER CA C 13 58.620 0.5 . 1 . . . . . 72 SER CA . 26921 1 773 . 1 1 72 72 SER CB C 13 63.970 0.5 . 1 . . . . . 72 SER CB . 26921 1 774 . 1 1 72 72 SER N N 15 117.290 0.5 . 1 . . . . . 72 SER N . 26921 1 775 . 1 1 73 73 SER H H 1 8.310 0.05 . 1 . . . . . 73 SER HN . 26921 1 776 . 1 1 73 73 SER HA H 1 4.450 0.05 . 1 . . . . . 73 SER HA . 26921 1 777 . 1 1 73 73 SER HB2 H 1 3.850 0.05 . 2 . . . . . 73 SER HB2 . 26921 1 778 . 1 1 73 73 SER HB3 H 1 3.850 0.05 . 2 . . . . . 73 SER HB3 . 26921 1 779 . 1 1 73 73 SER C C 13 173.900 0.5 . 1 . . . . . 73 SER C . 26921 1 780 . 1 1 73 73 SER CA C 13 58.550 0.5 . 1 . . . . . 73 SER CA . 26921 1 781 . 1 1 73 73 SER CB C 13 63.890 0.5 . 1 . . . . . 73 SER CB . 26921 1 782 . 1 1 73 73 SER N N 15 117.710 0.5 . 1 . . . . . 73 SER N . 26921 1 783 . 1 1 74 74 ARG H H 1 8.220 0.05 . 1 . . . . . 74 ARG HN . 26921 1 784 . 1 1 74 74 ARG HA H 1 4.530 0.05 . 1 . . . . . 74 ARG HA . 26921 1 785 . 1 1 74 74 ARG HB2 H 1 1.710 0.05 . 2 . . . . . 74 ARG HB2 . 26921 1 786 . 1 1 74 74 ARG HB3 H 1 1.710 0.05 . 2 . . . . . 74 ARG HB3 . 26921 1 787 . 1 1 74 74 ARG HG2 H 1 1.600 0.05 . 2 . . . . . 74 ARG HG2 . 26921 1 788 . 1 1 74 74 ARG HG3 H 1 1.600 0.05 . 2 . . . . . 74 ARG HG3 . 26921 1 789 . 1 1 74 74 ARG HD2 H 1 3.100 0.05 . 2 . . . . . 74 ARG HD2 . 26921 1 790 . 1 1 74 74 ARG HD3 H 1 3.100 0.05 . 2 . . . . . 74 ARG HD3 . 26921 1 791 . 1 1 74 74 ARG HE H 1 7.180 0.05 . 1 . . . . . 74 ARG HE . 26921 1 792 . 1 1 74 74 ARG C C 13 173.560 0.5 . 1 . . . . . 74 ARG C . 26921 1 793 . 1 1 74 74 ARG CA C 13 56.100 0.5 . 1 . . . . . 74 ARG CA . 26921 1 794 . 1 1 74 74 ARG CB C 13 29.960 0.5 . 1 . . . . . 74 ARG CB . 26921 1 795 . 1 1 74 74 ARG CG C 13 26.900 0.5 . 1 . . . . . 74 ARG CG . 26921 1 796 . 1 1 74 74 ARG CD C 13 43.370 0.5 . 1 . . . . . 74 ARG CD . 26921 1 797 . 1 1 74 74 ARG N N 15 123.920 0.5 . 1 . . . . . 74 ARG N . 26921 1 798 . 1 1 75 75 PRO HA H 1 4.300 0.05 . 1 . . . . . 75 PRO HA . 26921 1 799 . 1 1 75 75 PRO HB2 H 1 2.180 0.05 . 2 . . . . . 75 PRO HB2 . 26921 1 800 . 1 1 75 75 PRO HB3 H 1 2.180 0.05 . 2 . . . . . 75 PRO HB3 . 26921 1 801 . 1 1 75 75 PRO HG2 H 1 1.900 0.05 . 2 . . . . . 75 PRO HG2 . 26921 1 802 . 1 1 75 75 PRO HG3 H 1 1.900 0.05 . 2 . . . . . 75 PRO HG3 . 26921 1 803 . 1 1 75 75 PRO HD2 H 1 3.500 0.05 . 2 . . . . . 75 PRO HD2 . 26921 1 804 . 1 1 75 75 PRO HD3 H 1 3.500 0.05 . 2 . . . . . 75 PRO HD3 . 26921 1 805 . 1 1 75 75 PRO CA C 13 62.800 0.5 . 1 . . . . . 75 PRO CA . 26921 1 806 . 1 1 75 75 PRO CB C 13 31.700 0.5 . 1 . . . . . 75 PRO CB . 26921 1 807 . 1 1 75 75 PRO CG C 13 27.250 0.5 . 1 . . . . . 75 PRO CG . 26921 1 808 . 1 1 75 75 PRO CD C 13 50.400 0.5 . 1 . . . . . 75 PRO CD . 26921 1 809 . 1 1 76 76 PRO HA H 1 4.300 0.05 . 1 . . . . . 76 PRO HA . 26921 1 810 . 1 1 76 76 PRO HB2 H 1 2.180 0.05 . 2 . . . . . 76 PRO HB2 . 26921 1 811 . 1 1 76 76 PRO HB3 H 1 2.180 0.05 . 2 . . . . . 76 PRO HB3 . 26921 1 812 . 1 1 76 76 PRO HG2 H 1 1.900 0.05 . 2 . . . . . 76 PRO HG2 . 26921 1 813 . 1 1 76 76 PRO HG3 H 1 1.900 0.05 . 2 . . . . . 76 PRO HG3 . 26921 1 814 . 1 1 76 76 PRO HD2 H 1 3.500 0.05 . 2 . . . . . 76 PRO HD2 . 26921 1 815 . 1 1 76 76 PRO HD3 H 1 3.500 0.05 . 2 . . . . . 76 PRO HD3 . 26921 1 816 . 1 1 76 76 PRO CA C 13 62.800 0.5 . 1 . . . . . 76 PRO CA . 26921 1 817 . 1 1 76 76 PRO CB C 13 31.700 0.5 . 1 . . . . . 76 PRO CB . 26921 1 818 . 1 1 76 76 PRO CG C 13 27.250 0.5 . 1 . . . . . 76 PRO CG . 26921 1 819 . 1 1 76 76 PRO CD C 13 49.890 0.5 . 1 . . . . . 76 PRO CD . 26921 1 820 . 1 1 77 77 PRO HA H 1 4.290 0.05 . 1 . . . . . 77 PRO HA . 26921 1 821 . 1 1 77 77 PRO HB2 H 1 2.170 0.05 . 2 . . . . . 77 PRO HB2 . 26921 1 822 . 1 1 77 77 PRO HB3 H 1 2.170 0.05 . 2 . . . . . 77 PRO HB3 . 26921 1 823 . 1 1 77 77 PRO HG2 H 1 1.900 0.05 . 2 . . . . . 77 PRO HG2 . 26921 1 824 . 1 1 77 77 PRO HG3 H 1 1.900 0.05 . 2 . . . . . 77 PRO HG3 . 26921 1 825 . 1 1 77 77 PRO HD2 H 1 3.550 0.05 . 2 . . . . . 77 PRO HD2 . 26921 1 826 . 1 1 77 77 PRO HD3 H 1 3.550 0.05 . 2 . . . . . 77 PRO HD3 . 26921 1 827 . 1 1 77 77 PRO C C 13 176.360 0.5 . 1 . . . . . 77 PRO C . 26921 1 828 . 1 1 77 77 PRO CA C 13 62.830 0.5 . 1 . . . . . 77 PRO CA . 26921 1 829 . 1 1 77 77 PRO CB C 13 31.730 0.5 . 1 . . . . . 77 PRO CB . 26921 1 830 . 1 1 77 77 PRO CG C 13 27.250 0.5 . 1 . . . . . 77 PRO CG . 26921 1 831 . 1 1 77 77 PRO CD C 13 50.400 0.5 . 1 . . . . . 77 PRO CD . 26921 1 832 . 1 1 78 78 PHE H H 1 8.220 0.05 . 1 . . . . . 78 PHE HN . 26921 1 833 . 1 1 78 78 PHE HA H 1 4.500 0.05 . 1 . . . . . 78 PHE HA . 26921 1 834 . 1 1 78 78 PHE HB2 H 1 3.000 0.05 . 2 . . . . . 78 PHE HB2 . 26921 1 835 . 1 1 78 78 PHE HB3 H 1 3.000 0.05 . 2 . . . . . 78 PHE HB3 . 26921 1 836 . 1 1 78 78 PHE HD1 H 1 7.170 0.05 . 3 . . . . . 78 PHE HD1 . 26921 1 837 . 1 1 78 78 PHE HD2 H 1 7.170 0.05 . 3 . . . . . 78 PHE HD2 . 26921 1 838 . 1 1 78 78 PHE C C 13 175.400 0.5 . 1 . . . . . 78 PHE C . 26921 1 839 . 1 1 78 78 PHE CA C 13 57.830 0.5 . 1 . . . . . 78 PHE CA . 26921 1 840 . 1 1 78 78 PHE CB C 13 39.460 0.5 . 1 . . . . . 78 PHE CB . 26921 1 841 . 1 1 78 78 PHE N N 15 120.400 0.5 . 1 . . . . . 78 PHE N . 26921 1 842 . 1 1 79 79 VAL H H 1 8.020 0.05 . 1 . . . . . 79 VAL HN . 26921 1 843 . 1 1 79 79 VAL HA H 1 3.960 0.05 . 1 . . . . . 79 VAL HA . 26921 1 844 . 1 1 79 79 VAL HB H 1 1.880 0.05 . 1 . . . . . 79 VAL HB . 26921 1 845 . 1 1 79 79 VAL HG11 H 1 0.800 0.05 . 2 . . . . . 79 VAL HG11 . 26921 1 846 . 1 1 79 79 VAL HG12 H 1 0.800 0.05 . 2 . . . . . 79 VAL HG11 . 26921 1 847 . 1 1 79 79 VAL HG13 H 1 0.800 0.05 . 2 . . . . . 79 VAL HG11 . 26921 1 848 . 1 1 79 79 VAL HG21 H 1 0.800 0.05 . 2 . . . . . 79 VAL HG21 . 26921 1 849 . 1 1 79 79 VAL HG22 H 1 0.800 0.05 . 2 . . . . . 79 VAL HG21 . 26921 1 850 . 1 1 79 79 VAL HG23 H 1 0.800 0.05 . 2 . . . . . 79 VAL HG21 . 26921 1 851 . 1 1 79 79 VAL C C 13 174.950 0.5 . 1 . . . . . 79 VAL C . 26921 1 852 . 1 1 79 79 VAL CA C 13 61.500 0.5 . 1 . . . . . 79 VAL CA . 26921 1 853 . 1 1 79 79 VAL CB C 13 32.930 0.5 . 1 . . . . . 79 VAL CB . 26921 1 854 . 1 1 79 79 VAL CG1 C 13 21.300 0.5 . 1 . . . . . 79 VAL CG1 . 26921 1 855 . 1 1 79 79 VAL CG2 C 13 21.100 0.5 . 1 . . . . . 79 VAL CG2 . 26921 1 856 . 1 1 79 79 VAL N N 15 123.710 0.5 . 1 . . . . . 79 VAL N . 26921 1 857 . 1 1 80 80 ASN H H 1 8.540 0.05 . 1 . . . . . 80 ASN HN . 26921 1 858 . 1 1 80 80 ASN HA H 1 4.640 0.05 . 1 . . . . . 80 ASN HA . 26921 1 859 . 1 1 80 80 ASN HB2 H 1 2.750 0.05 . 2 . . . . . 80 ASN HB2 . 26921 1 860 . 1 1 80 80 ASN HB3 H 1 2.750 0.05 . 2 . . . . . 80 ASN HB3 . 26921 1 861 . 1 1 80 80 ASN HD21 H 1 7.180 0.05 . 2 . . . . . 80 ASN HD21 . 26921 1 862 . 1 1 80 80 ASN HD22 H 1 7.710 0.05 . 2 . . . . . 80 ASN HD22 . 26921 1 863 . 1 1 80 80 ASN C C 13 175.370 0.5 . 1 . . . . . 80 ASN C . 26921 1 864 . 1 1 80 80 ASN CA C 13 53.070 0.5 . 1 . . . . . 80 ASN CA . 26921 1 865 . 1 1 80 80 ASN CB C 13 38.850 0.5 . 1 . . . . . 80 ASN CB . 26921 1 866 . 1 1 80 80 ASN N N 15 123.500 0.5 . 1 . . . . . 80 ASN N . 26921 1 867 . 1 1 81 81 THR H H 1 8.190 0.05 . 1 . . . . . 81 THR HN . 26921 1 868 . 1 1 81 81 THR HA H 1 4.410 0.05 . 1 . . . . . 81 THR HA . 26921 1 869 . 1 1 81 81 THR HB H 1 4.230 0.05 . 1 . . . . . 81 THR HB . 26921 1 870 . 1 1 81 81 THR HG21 H 1 1.130 0.05 . 1 . . . . . 81 THR HG21 . 26921 1 871 . 1 1 81 81 THR HG22 H 1 1.130 0.05 . 1 . . . . . 81 THR HG21 . 26921 1 872 . 1 1 81 81 THR HG23 H 1 1.130 0.05 . 1 . . . . . 81 THR HG21 . 26921 1 873 . 1 1 81 81 THR C C 13 174.000 0.5 . 1 . . . . . 81 THR C . 26921 1 874 . 1 1 81 81 THR CA C 13 61.670 0.5 . 1 . . . . . 81 THR CA . 26921 1 875 . 1 1 81 81 THR CB C 13 69.630 0.5 . 1 . . . . . 81 THR CB . 26921 1 876 . 1 1 81 81 THR CG2 C 13 21.700 0.5 . 1 . . . . . 81 THR CG2 . 26921 1 877 . 1 1 81 81 THR N N 15 115.220 0.5 . 1 . . . . . 81 THR N . 26921 1 878 . 1 1 82 82 ALA H H 1 8.330 0.05 . 1 . . . . . 82 ALA HN . 26921 1 879 . 1 1 82 82 ALA HA H 1 4.530 0.05 . 1 . . . . . 82 ALA HA . 26921 1 880 . 1 1 82 82 ALA HB1 H 1 1.330 0.05 . 1 . . . . . 82 ALA HB1 . 26921 1 881 . 1 1 82 82 ALA HB2 H 1 1.330 0.05 . 1 . . . . . 82 ALA HB1 . 26921 1 882 . 1 1 82 82 ALA HB3 H 1 1.330 0.05 . 1 . . . . . 82 ALA HB1 . 26921 1 883 . 1 1 82 82 ALA C C 13 175.400 0.5 . 1 . . . . . 82 ALA C . 26921 1 884 . 1 1 82 82 ALA CA C 13 50.600 0.5 . 1 . . . . . 82 ALA CA . 26921 1 885 . 1 1 82 82 ALA CB C 13 17.870 0.5 . 1 . . . . . 82 ALA CB . 26921 1 886 . 1 1 82 82 ALA N N 15 127.850 0.5 . 1 . . . . . 82 ALA N . 26921 1 887 . 1 1 83 83 PRO HA H 1 4.360 0.05 . 1 . . . . . 83 PRO HA . 26921 1 888 . 1 1 83 83 PRO HB2 H 1 2.130 0.05 . 2 . . . . . 83 PRO HB2 . 26921 1 889 . 1 1 83 83 PRO HB3 H 1 2.130 0.05 . 2 . . . . . 83 PRO HB3 . 26921 1 890 . 1 1 83 83 PRO HG2 H 1 2.000 0.05 . 2 . . . . . 83 PRO HG2 . 26921 1 891 . 1 1 83 83 PRO HG3 H 1 2.000 0.05 . 2 . . . . . 83 PRO HG3 . 26921 1 892 . 1 1 83 83 PRO HD2 H 1 3.570 0.05 . 2 . . . . . 83 PRO HD2 . 26921 1 893 . 1 1 83 83 PRO HD3 H 1 3.570 0.05 . 2 . . . . . 83 PRO HD3 . 26921 1 894 . 1 1 83 83 PRO C C 13 177.250 0.5 . 1 . . . . . 83 PRO C . 26921 1 895 . 1 1 83 83 PRO CA C 13 63.030 0.5 . 1 . . . . . 83 PRO CA . 26921 1 896 . 1 1 83 83 PRO CB C 13 32.160 0.5 . 1 . . . . . 83 PRO CB . 26921 1 897 . 1 1 83 83 PRO CG C 13 27.260 0.5 . 1 . . . . . 83 PRO CG . 26921 1 898 . 1 1 83 83 PRO CD C 13 50.400 0.5 . 1 . . . . . 83 PRO CD . 26921 1 899 . 1 1 84 84 GLN H H 1 8.690 0.05 . 1 . . . . . 84 GLN HN . 26921 1 900 . 1 1 84 84 GLN HA H 1 4.230 0.05 . 1 . . . . . 84 GLN HA . 26921 1 901 . 1 1 84 84 GLN HB2 H 1 1.980 0.05 . 2 . . . . . 84 GLN HB2 . 26921 1 902 . 1 1 84 84 GLN HB3 H 1 1.980 0.05 . 2 . . . . . 84 GLN HB3 . 26921 1 903 . 1 1 84 84 GLN HG2 H 1 2.370 0.05 . 2 . . . . . 84 GLN HG2 . 26921 1 904 . 1 1 84 84 GLN HG3 H 1 2.370 0.05 . 2 . . . . . 84 GLN HG3 . 26921 1 905 . 1 1 84 84 GLN C C 13 176.780 0.5 . 1 . . . . . 84 GLN C . 26921 1 906 . 1 1 84 84 GLN CA C 13 56.070 0.5 . 1 . . . . . 84 GLN CA . 26921 1 907 . 1 1 84 84 GLN CB C 13 29.330 0.5 . 1 . . . . . 84 GLN CB . 26921 1 908 . 1 1 84 84 GLN CG C 13 33.700 0.5 . 1 . . . . . 84 GLN CG . 26921 1 909 . 1 1 84 84 GLN N N 15 121.020 0.5 . 1 . . . . . 84 GLN N . 26921 1 910 . 1 1 85 85 GLY H H 1 8.560 0.05 . 1 . . . . . 85 GLY HN . 26921 1 911 . 1 1 85 85 GLY HA2 H 1 3.930 0.05 . 2 . . . . . 85 GLY HA2 . 26921 1 912 . 1 1 85 85 GLY HA3 H 1 3.930 0.05 . 2 . . . . . 85 GLY HA3 . 26921 1 913 . 1 1 85 85 GLY C C 13 174.640 0.5 . 1 . . . . . 85 GLY C . 26921 1 914 . 1 1 85 85 GLY CA C 13 45.280 0.5 . 1 . . . . . 85 GLY CA . 26921 1 915 . 1 1 85 85 GLY N N 15 110.460 0.5 . 1 . . . . . 85 GLY N . 26921 1 916 . 1 1 86 86 GLY H H 1 8.320 0.05 . 1 . . . . . 86 GLY HN . 26921 1 917 . 1 1 86 86 GLY HA2 H 1 3.900 0.05 . 2 . . . . . 86 GLY HA2 . 26921 1 918 . 1 1 86 86 GLY HA3 H 1 3.900 0.05 . 2 . . . . . 86 GLY HA3 . 26921 1 919 . 1 1 86 86 GLY C C 13 173.990 0.5 . 1 . . . . . 86 GLY C . 26921 1 920 . 1 1 86 86 GLY CA C 13 44.870 0.5 . 1 . . . . . 86 GLY CA . 26921 1 921 . 1 1 86 86 GLY N N 15 108.600 0.5 . 1 . . . . . 86 GLY N . 26921 1 922 . 1 1 87 87 ARG H H 1 8.250 0.05 . 1 . . . . . 87 ARG HN . 26921 1 923 . 1 1 87 87 ARG HA H 1 4.260 0.05 . 1 . . . . . 87 ARG HA . 26921 1 924 . 1 1 87 87 ARG HB2 H 1 1.740 0.05 . 2 . . . . . 87 ARG HB2 . 26921 1 925 . 1 1 87 87 ARG HB3 H 1 1.740 0.05 . 2 . . . . . 87 ARG HB3 . 26921 1 926 . 1 1 87 87 ARG HG2 H 1 1.610 0.05 . 2 . . . . . 87 ARG HG2 . 26921 1 927 . 1 1 87 87 ARG HG3 H 1 1.610 0.05 . 2 . . . . . 87 ARG HG3 . 26921 1 928 . 1 1 87 87 ARG HD2 H 1 3.140 0.05 . 2 . . . . . 87 ARG HD2 . 26921 1 929 . 1 1 87 87 ARG HD3 H 1 3.140 0.05 . 2 . . . . . 87 ARG HD3 . 26921 1 930 . 1 1 87 87 ARG C C 13 176.390 0.5 . 1 . . . . . 87 ARG C . 26921 1 931 . 1 1 87 87 ARG CA C 13 56.010 0.5 . 1 . . . . . 87 ARG CA . 26921 1 932 . 1 1 87 87 ARG CB C 13 30.960 0.5 . 1 . . . . . 87 ARG CB . 26921 1 933 . 1 1 87 87 ARG CG C 13 26.910 0.5 . 1 . . . . . 87 ARG CG . 26921 1 934 . 1 1 87 87 ARG CD C 13 43.370 0.5 . 1 . . . . . 87 ARG CD . 26921 1 935 . 1 1 87 87 ARG N N 15 120.600 0.5 . 1 . . . . . 87 ARG N . 26921 1 936 . 1 1 88 88 LYS H H 1 8.540 0.05 . 1 . . . . . 88 LYS HN . 26921 1 937 . 1 1 88 88 LYS HA H 1 4.300 0.05 . 1 . . . . . 88 LYS HA . 26921 1 938 . 1 1 88 88 LYS HB2 H 1 1.750 0.05 . 2 . . . . . 88 LYS HB2 . 26921 1 939 . 1 1 88 88 LYS HB3 H 1 1.750 0.05 . 2 . . . . . 88 LYS HB3 . 26921 1 940 . 1 1 88 88 LYS HG2 H 1 1.430 0.05 . 2 . . . . . 88 LYS HG2 . 26921 1 941 . 1 1 88 88 LYS HG3 H 1 1.430 0.05 . 2 . . . . . 88 LYS HG3 . 26921 1 942 . 1 1 88 88 LYS HD2 H 1 1.700 0.05 . 2 . . . . . 88 LYS HD2 . 26921 1 943 . 1 1 88 88 LYS HD3 H 1 1.700 0.05 . 2 . . . . . 88 LYS HD3 . 26921 1 944 . 1 1 88 88 LYS HE2 H 1 3.110 0.05 . 2 . . . . . 88 LYS HE2 . 26921 1 945 . 1 1 88 88 LYS HE3 H 1 3.110 0.05 . 2 . . . . . 88 LYS HE3 . 26921 1 946 . 1 1 88 88 LYS C C 13 176.450 0.5 . 1 . . . . . 88 LYS C . 26921 1 947 . 1 1 88 88 LYS CA C 13 56.050 0.5 . 1 . . . . . 88 LYS CA . 26921 1 948 . 1 1 88 88 LYS CB C 13 33.210 0.5 . 1 . . . . . 88 LYS CB . 26921 1 949 . 1 1 88 88 LYS CG C 13 24.620 0.5 . 1 . . . . . 88 LYS CG . 26921 1 950 . 1 1 88 88 LYS CD C 13 29.810 0.5 . 1 . . . . . 88 LYS CD . 26921 1 951 . 1 1 88 88 LYS CE C 13 42.200 0.5 . 1 . . . . . 88 LYS CE . 26921 1 952 . 1 1 88 88 LYS N N 15 123.500 0.5 . 1 . . . . . 88 LYS N . 26921 1 953 . 1 1 89 89 SER H H 1 8.500 0.05 . 1 . . . . . 89 SER HN . 26921 1 954 . 1 1 89 89 SER HA H 1 4.670 0.05 . 1 . . . . . 89 SER HA . 26921 1 955 . 1 1 89 89 SER HB2 H 1 3.790 0.05 . 2 . . . . . 89 SER HB2 . 26921 1 956 . 1 1 89 89 SER HB3 H 1 3.790 0.05 . 2 . . . . . 89 SER HB3 . 26921 1 957 . 1 1 89 89 SER C C 13 172.560 0.5 . 1 . . . . . 89 SER C . 26921 1 958 . 1 1 89 89 SER CA C 13 56.420 0.5 . 1 . . . . . 89 SER CA . 26921 1 959 . 1 1 89 89 SER CB C 13 62.990 0.5 . 1 . . . . . 89 SER CB . 26921 1 960 . 1 1 89 89 SER N N 15 119.150 0.5 . 1 . . . . . 89 SER N . 26921 1 961 . 1 1 90 90 PRO HA H 1 4.360 0.05 . 1 . . . . . 90 PRO HA . 26921 1 962 . 1 1 90 90 PRO HB2 H 1 2.230 0.05 . 2 . . . . . 90 PRO HB2 . 26921 1 963 . 1 1 90 90 PRO HB3 H 1 1.840 0.05 . 2 . . . . . 90 PRO HB3 . 26921 1 964 . 1 1 90 90 PRO HG2 H 1 1.990 0.05 . 2 . . . . . 90 PRO HG2 . 26921 1 965 . 1 1 90 90 PRO HG3 H 1 1.990 0.05 . 2 . . . . . 90 PRO HG3 . 26921 1 966 . 1 1 90 90 PRO HD2 H 1 3.740 0.05 . 2 . . . . . 90 PRO HD2 . 26921 1 967 . 1 1 90 90 PRO HD3 H 1 3.570 0.05 . 2 . . . . . 90 PRO HD3 . 26921 1 968 . 1 1 90 90 PRO C C 13 176.830 0.5 . 1 . . . . . 90 PRO C . 26921 1 969 . 1 1 90 90 PRO CA C 13 62.970 0.5 . 1 . . . . . 90 PRO CA . 26921 1 970 . 1 1 90 90 PRO CB C 13 32.200 0.5 . 1 . . . . . 90 PRO CB . 26921 1 971 . 1 1 90 90 PRO CG C 13 27.260 0.5 . 1 . . . . . 90 PRO CG . 26921 1 972 . 1 1 90 90 PRO CD C 13 50.400 0.5 . 1 . . . . . 90 PRO CD . 26921 1 973 . 1 1 91 91 SER H H 1 8.480 0.05 . 1 . . . . . 91 SER HN . 26921 1 974 . 1 1 91 91 SER HA H 1 4.400 0.05 . 1 . . . . . 91 SER HA . 26921 1 975 . 1 1 91 91 SER HB2 H 1 3.860 0.05 . 2 . . . . . 91 SER HB2 . 26921 1 976 . 1 1 91 91 SER HB3 H 1 3.860 0.05 . 2 . . . . . 91 SER HB3 . 26921 1 977 . 1 1 91 91 SER C C 13 174.090 0.5 . 1 . . . . . 91 SER C . 26921 1 978 . 1 1 91 91 SER CA C 13 58.280 0.5 . 1 . . . . . 91 SER CA . 26921 1 979 . 1 1 91 91 SER CB C 13 63.870 0.5 . 1 . . . . . 91 SER CB . 26921 1 980 . 1 1 91 91 SER N N 15 116.880 0.5 . 1 . . . . . 91 SER N . 26921 1 981 . 1 1 92 92 ARG H H 1 8.450 0.05 . 1 . . . . . 92 ARG HN . 26921 1 982 . 1 1 92 92 ARG HA H 1 4.620 0.05 . 1 . . . . . 92 ARG HA . 26921 1 983 . 1 1 92 92 ARG HB2 H 1 1.780 0.05 . 2 . . . . . 92 ARG HB2 . 26921 1 984 . 1 1 92 92 ARG HB3 H 1 1.780 0.05 . 2 . . . . . 92 ARG HB3 . 26921 1 985 . 1 1 92 92 ARG HG2 H 1 1.620 0.05 . 2 . . . . . 92 ARG HG2 . 26921 1 986 . 1 1 92 92 ARG HG3 H 1 1.620 0.05 . 2 . . . . . 92 ARG HG3 . 26921 1 987 . 1 1 92 92 ARG HD2 H 1 3.170 0.05 . 2 . . . . . 92 ARG HD2 . 26921 1 988 . 1 1 92 92 ARG HD3 H 1 3.170 0.05 . 2 . . . . . 92 ARG HD3 . 26921 1 989 . 1 1 92 92 ARG C C 13 174.090 0.5 . 1 . . . . . 92 ARG C . 26921 1 990 . 1 1 92 92 ARG CA C 13 53.830 0.5 . 1 . . . . . 92 ARG CA . 26921 1 991 . 1 1 92 92 ARG CB C 13 30.070 0.5 . 1 . . . . . 92 ARG CB . 26921 1 992 . 1 1 92 92 ARG CG C 13 26.300 0.5 . 1 . . . . . 92 ARG CG . 26921 1 993 . 1 1 92 92 ARG CD C 13 41.910 0.5 . 1 . . . . . 92 ARG CD . 26921 1 994 . 1 1 92 92 ARG N N 15 123.920 0.5 . 1 . . . . . 92 ARG N . 26921 1 995 . 1 1 93 93 PRO HA H 1 4.400 0.05 . 1 . . . . . 93 PRO HA . 26921 1 996 . 1 1 93 93 PRO HB2 H 1 2.400 0.05 . 2 . . . . . 93 PRO HB2 . 26921 1 997 . 1 1 93 93 PRO HB3 H 1 2.400 0.05 . 2 . . . . . 93 PRO HB3 . 26921 1 998 . 1 1 93 93 PRO HG2 H 1 1.800 0.05 . 2 . . . . . 93 PRO HG2 . 26921 1 999 . 1 1 93 93 PRO HG3 H 1 1.800 0.05 . 2 . . . . . 93 PRO HG3 . 26921 1 1000 . 1 1 93 93 PRO HD2 H 1 3.600 0.05 . 2 . . . . . 93 PRO HD2 . 26921 1 1001 . 1 1 93 93 PRO HD3 H 1 3.600 0.05 . 2 . . . . . 93 PRO HD3 . 26921 1 1002 . 1 1 93 93 PRO C C 13 176.680 0.5 . 1 . . . . . 93 PRO C . 26921 1 1003 . 1 1 93 93 PRO CA C 13 63.140 0.5 . 1 . . . . . 93 PRO CA . 26921 1 1004 . 1 1 93 93 PRO CB C 13 32.130 0.5 . 1 . . . . . 93 PRO CB . 26921 1 1005 . 1 1 93 93 PRO CG C 13 27.260 0.5 . 1 . . . . . 93 PRO CG . 26921 1 1006 . 1 1 93 93 PRO CD C 13 50.400 0.5 . 1 . . . . . 93 PRO CD . 26921 1 1007 . 1 1 94 94 ASN H H 1 8.700 0.05 . 1 . . . . . 94 ASN HN . 26921 1 1008 . 1 1 94 94 ASN HA H 1 4.640 0.05 . 1 . . . . . 94 ASN HA . 26921 1 1009 . 1 1 94 94 ASN HB2 H 1 2.800 0.05 . 2 . . . . . 94 ASN HB2 . 26921 1 1010 . 1 1 94 94 ASN HB3 H 1 2.800 0.05 . 2 . . . . . 94 ASN HB3 . 26921 1 1011 . 1 1 94 94 ASN C C 13 175.550 0.5 . 1 . . . . . 94 ASN C . 26921 1 1012 . 1 1 94 94 ASN CA C 13 53.150 0.5 . 1 . . . . . 94 ASN CA . 26921 1 1013 . 1 1 94 94 ASN CB C 13 38.720 0.5 . 1 . . . . . 94 ASN CB . 26921 1 1014 . 1 1 94 94 ASN N N 15 119.360 0.5 . 1 . . . . . 94 ASN N . 26921 1 1015 . 1 1 95 95 SER H H 1 8.420 0.05 . 1 . . . . . 95 SER HN . 26921 1 1016 . 1 1 95 95 SER HA H 1 4.420 0.05 . 1 . . . . . 95 SER HA . 26921 1 1017 . 1 1 95 95 SER HB2 H 1 3.870 0.05 . 2 . . . . . 95 SER HB2 . 26921 1 1018 . 1 1 95 95 SER HB3 H 1 3.870 0.05 . 2 . . . . . 95 SER HB3 . 26921 1 1019 . 1 1 95 95 SER C C 13 174.840 0.5 . 1 . . . . . 95 SER C . 26921 1 1020 . 1 1 95 95 SER CA C 13 58.380 0.5 . 1 . . . . . 95 SER CA . 26921 1 1021 . 1 1 95 95 SER CB C 13 64.060 0.5 . 1 . . . . . 95 SER CB . 26921 1 1022 . 1 1 95 95 SER N N 15 116.670 0.5 . 1 . . . . . 95 SER N . 26921 1 1023 . 1 1 96 96 SER H H 1 8.500 0.05 . 1 . . . . . 96 SER HN . 26921 1 1024 . 1 1 96 96 SER HA H 1 4.400 0.05 . 1 . . . . . 96 SER HA . 26921 1 1025 . 1 1 96 96 SER HB2 H 1 3.850 0.05 . 2 . . . . . 96 SER HB2 . 26921 1 1026 . 1 1 96 96 SER HB3 H 1 3.850 0.05 . 2 . . . . . 96 SER HB3 . 26921 1 1027 . 1 1 96 96 SER C C 13 174.470 0.5 . 1 . . . . . 96 SER C . 26921 1 1028 . 1 1 96 96 SER CA C 13 58.710 0.5 . 1 . . . . . 96 SER CA . 26921 1 1029 . 1 1 96 96 SER CB C 13 63.670 0.5 . 1 . . . . . 96 SER CB . 26921 1 1030 . 1 1 96 96 SER N N 15 118.110 0.5 . 1 . . . . . 96 SER N . 26921 1 1031 . 1 1 97 97 ALA H H 1 8.300 0.05 . 1 . . . . . 97 ALA HN . 26921 1 1032 . 1 1 97 97 ALA HA H 1 4.290 0.05 . 1 . . . . . 97 ALA HA . 26921 1 1033 . 1 1 97 97 ALA HB1 H 1 1.370 0.05 . 1 . . . . . 97 ALA HB1 . 26921 1 1034 . 1 1 97 97 ALA HB2 H 1 1.370 0.05 . 1 . . . . . 97 ALA HB1 . 26921 1 1035 . 1 1 97 97 ALA HB3 H 1 1.370 0.05 . 1 . . . . . 97 ALA HB1 . 26921 1 1036 . 1 1 97 97 ALA C C 13 177.900 0.5 . 1 . . . . . 97 ALA C . 26921 1 1037 . 1 1 97 97 ALA CA C 13 52.800 0.5 . 1 . . . . . 97 ALA CA . 26921 1 1038 . 1 1 97 97 ALA CB C 13 19.060 0.5 . 1 . . . . . 97 ALA CB . 26921 1 1039 . 1 1 97 97 ALA N N 15 125.780 0.5 . 1 . . . . . 97 ALA N . 26921 1 1040 . 1 1 98 98 SER H H 1 8.240 0.05 . 1 . . . . . 98 SER HN . 26921 1 1041 . 1 1 98 98 SER HA H 1 4.340 0.05 . 1 . . . . . 98 SER HA . 26921 1 1042 . 1 1 98 98 SER HB2 H 1 3.820 0.05 . 2 . . . . . 98 SER HB2 . 26921 1 1043 . 1 1 98 98 SER HB3 H 1 3.820 0.05 . 2 . . . . . 98 SER HB3 . 26921 1 1044 . 1 1 98 98 SER C C 13 174.560 0.5 . 1 . . . . . 98 SER C . 26921 1 1045 . 1 1 98 98 SER CA C 13 58.550 0.5 . 1 . . . . . 98 SER CA . 26921 1 1046 . 1 1 98 98 SER CB C 13 63.730 0.5 . 1 . . . . . 98 SER CB . 26921 1 1047 . 1 1 98 98 SER N N 15 115.010 0.5 . 1 . . . . . 98 SER N . 26921 1 1048 . 1 1 99 99 LYS H H 1 8.310 0.05 . 1 . . . . . 99 LYS HN . 26921 1 1049 . 1 1 99 99 LYS HA H 1 4.290 0.05 . 1 . . . . . 99 LYS HA . 26921 1 1050 . 1 1 99 99 LYS HB2 H 1 1.704 0.05 . 2 . . . . . 99 LYS HB2 . 26921 1 1051 . 1 1 99 99 LYS HB3 H 1 1.780 0.05 . 2 . . . . . 99 LYS HB3 . 26921 1 1052 . 1 1 99 99 LYS HG2 H 1 1.380 0.05 . 2 . . . . . 99 LYS HG2 . 26921 1 1053 . 1 1 99 99 LYS HG3 H 1 1.380 0.05 . 2 . . . . . 99 LYS HG3 . 26921 1 1054 . 1 1 99 99 LYS HD2 H 1 1.610 0.05 . 2 . . . . . 99 LYS HD2 . 26921 1 1055 . 1 1 99 99 LYS HD3 H 1 1.610 0.05 . 2 . . . . . 99 LYS HD3 . 26921 1 1056 . 1 1 99 99 LYS HE2 H 1 2.940 0.05 . 2 . . . . . 99 LYS HE2 . 26921 1 1057 . 1 1 99 99 LYS HE3 H 1 2.940 0.05 . 2 . . . . . 99 LYS HE3 . 26921 1 1058 . 1 1 99 99 LYS C C 13 176.450 0.5 . 1 . . . . . 99 LYS C . 26921 1 1059 . 1 1 99 99 LYS CA C 13 56.220 0.5 . 1 . . . . . 99 LYS CA . 26921 1 1060 . 1 1 99 99 LYS CB C 13 33.090 0.5 . 1 . . . . . 99 LYS CB . 26921 1 1061 . 1 1 99 99 LYS CG C 13 24.620 0.5 . 1 . . . . . 99 LYS CG . 26921 1 1062 . 1 1 99 99 LYS CD C 13 29.800 0.5 . 1 . . . . . 99 LYS CD . 26921 1 1063 . 1 1 99 99 LYS CE C 13 42.200 0.5 . 1 . . . . . 99 LYS CE . 26921 1 1064 . 1 1 99 99 LYS N N 15 123.500 0.5 . 1 . . . . . 99 LYS N . 26921 1 1065 . 1 1 100 100 LYS H H 1 8.310 0.05 . 1 . . . . . 100 LYS HN . 26921 1 1066 . 1 1 100 100 LYS HA H 1 4.180 0.05 . 1 . . . . . 100 LYS HA . 26921 1 1067 . 1 1 100 100 LYS HB2 H 1 1.660 0.05 . 2 . . . . . 100 LYS HB2 . 26921 1 1068 . 1 1 100 100 LYS HB3 H 1 1.660 0.05 . 2 . . . . . 100 LYS HB3 . 26921 1 1069 . 1 1 100 100 LYS HG2 H 1 1.270 0.05 . 2 . . . . . 100 LYS HG2 . 26921 1 1070 . 1 1 100 100 LYS HG3 H 1 1.270 0.05 . 2 . . . . . 100 LYS HG3 . 26921 1 1071 . 1 1 100 100 LYS HD2 H 1 1.620 0.05 . 2 . . . . . 100 LYS HD2 . 26921 1 1072 . 1 1 100 100 LYS HD3 H 1 1.620 0.05 . 2 . . . . . 100 LYS HD3 . 26921 1 1073 . 1 1 100 100 LYS HE2 H 1 2.880 0.05 . 2 . . . . . 100 LYS HE2 . 26921 1 1074 . 1 1 100 100 LYS HE3 H 1 2.880 0.05 . 2 . . . . . 100 LYS HE3 . 26921 1 1075 . 1 1 100 100 LYS C C 13 176.040 0.5 . 1 . . . . . 100 LYS C . 26921 1 1076 . 1 1 100 100 LYS CA C 13 55.930 0.5 . 1 . . . . . 100 LYS CA . 26921 1 1077 . 1 1 100 100 LYS CB C 13 32.730 0.5 . 1 . . . . . 100 LYS CB . 26921 1 1078 . 1 1 100 100 LYS CG C 13 24.600 0.5 . 1 . . . . . 100 LYS CG . 26921 1 1079 . 1 1 100 100 LYS CD C 13 29.800 0.5 . 1 . . . . . 100 LYS CD . 26921 1 1080 . 1 1 100 100 LYS CE C 13 42.200 0.5 . 1 . . . . . 100 LYS CE . 26921 1 1081 . 1 1 100 100 LYS N N 15 123.090 0.5 . 1 . . . . . 100 LYS N . 26921 1 1082 . 1 1 101 101 GLN H H 1 8.380 0.05 . 1 . . . . . 101 GLN HN . 26921 1 1083 . 1 1 101 101 GLN HA H 1 4.230 0.05 . 1 . . . . . 101 GLN HA . 26921 1 1084 . 1 1 101 101 GLN HB2 H 1 1.850 0.05 . 2 . . . . . 101 GLN HB2 . 26921 1 1085 . 1 1 101 101 GLN HB3 H 1 1.850 0.05 . 2 . . . . . 101 GLN HB3 . 26921 1 1086 . 1 1 101 101 GLN HG2 H 1 2.180 0.05 . 2 . . . . . 101 GLN HG2 . 26921 1 1087 . 1 1 101 101 GLN HG3 H 1 2.180 0.05 . 2 . . . . . 101 GLN HG3 . 26921 1 1088 . 1 1 101 101 GLN C C 13 175.250 0.5 . 1 . . . . . 101 GLN C . 26921 1 1089 . 1 1 101 101 GLN CA C 13 55.600 0.5 . 1 . . . . . 101 GLN CA . 26921 1 1090 . 1 1 101 101 GLN CB C 13 29.710 0.5 . 1 . . . . . 101 GLN CB . 26921 1 1091 . 1 1 101 101 GLN CG C 13 33.700 0.5 . 1 . . . . . 101 GLN CG . 26921 1 1092 . 1 1 101 101 GLN N N 15 121.850 0.5 . 1 . . . . . 101 GLN N . 26921 1 1093 . 1 1 102 102 TYR H H 1 8.320 0.05 . 1 . . . . . 102 TYR HN . 26921 1 1094 . 1 1 102 102 TYR HA H 1 4.580 0.05 . 1 . . . . . 102 TYR HA . 26921 1 1095 . 1 1 102 102 TYR HB2 H 1 2.900 0.05 . 2 . . . . . 102 TYR HB2 . 26921 1 1096 . 1 1 102 102 TYR HB3 H 1 3.060 0.05 . 2 . . . . . 102 TYR HB3 . 26921 1 1097 . 1 1 102 102 TYR HD1 H 1 7.100 0.05 . 3 . . . . . 102 TYR HD1 . 26921 1 1098 . 1 1 102 102 TYR HD2 H 1 7.100 0.05 . 3 . . . . . 102 TYR HD2 . 26921 1 1099 . 1 1 102 102 TYR C C 13 174.800 0.5 . 1 . . . . . 102 TYR C . 26921 1 1100 . 1 1 102 102 TYR CA C 13 57.800 0.5 . 1 . . . . . 102 TYR CA . 26921 1 1101 . 1 1 102 102 TYR CB C 13 38.690 0.5 . 1 . . . . . 102 TYR CB . 26921 1 1102 . 1 1 102 102 TYR N N 15 121.710 0.5 . 1 . . . . . 102 TYR N . 26921 1 1103 . 1 1 103 103 VAL H H 1 7.700 0.05 . 1 . . . . . 103 VAL HN . 26921 1 1104 . 1 1 103 103 VAL HA H 1 3.960 0.05 . 1 . . . . . 103 VAL HA . 26921 1 1105 . 1 1 103 103 VAL HB H 1 2.010 0.05 . 1 . . . . . 103 VAL HB . 26921 1 1106 . 1 1 103 103 VAL HG11 H 1 0.830 0.05 . 2 . . . . . 103 VAL HG11 . 26921 1 1107 . 1 1 103 103 VAL HG12 H 1 0.830 0.05 . 2 . . . . . 103 VAL HG11 . 26921 1 1108 . 1 1 103 103 VAL HG13 H 1 0.830 0.05 . 2 . . . . . 103 VAL HG11 . 26921 1 1109 . 1 1 103 103 VAL HG21 H 1 0.830 0.05 . 2 . . . . . 103 VAL HG21 . 26921 1 1110 . 1 1 103 103 VAL HG22 H 1 0.830 0.05 . 2 . . . . . 103 VAL HG21 . 26921 1 1111 . 1 1 103 103 VAL HG23 H 1 0.830 0.05 . 2 . . . . . 103 VAL HG21 . 26921 1 1112 . 1 1 103 103 VAL C C 13 180.770 0.5 . 1 . . . . . 103 VAL C . 26921 1 1113 . 1 1 103 103 VAL CA C 13 63.630 0.5 . 1 . . . . . 103 VAL CA . 26921 1 1114 . 1 1 103 103 VAL CB C 13 33.310 0.5 . 1 . . . . . 103 VAL CB . 26921 1 1115 . 1 1 103 103 VAL CG1 C 13 20.200 0.5 . 1 . . . . . 103 VAL CG1 . 26921 1 1116 . 1 1 103 103 VAL CG2 C 13 21.400 0.5 . 1 . . . . . 103 VAL CG2 . 26921 1 1117 . 1 1 103 103 VAL N N 15 124.950 0.5 . 1 . . . . . 103 VAL N . 26921 1 stop_ save_