data_27917 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27917 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of COG4197, a monomeric Cro family member related to HigA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-17 _Entry.Accession_date 2019-05-17 _Entry.Last_release_date 2019-05-17 _Entry.Original_release_date 2019-05-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Oleksandr Volkov . . . . 27917 2 Marusa 'Prolic Kalinsek' . . . . 27917 3 Pieter 'De Bruyn' . . . . 27917 4 Remy Loris . . . . 27917 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27917 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 428 27917 '15N chemical shifts' 102 27917 '1H chemical shifts' 669 27917 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-04-03 . original BMRB . 27917 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27917 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31625047 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone and side chain chemical shift assignment of YdaS, a monomeric member of the HigA family ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 25 _Citation.Page_last 30 _Citation.Year 2020 _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 Marusa Prolic-Kalinsek M. . . . 27917 1 2 Pieter 'De Bruyn' P. . . . 27917 1 3 Dukas Jurenas D. . . . 27917 1 4 Laurence 'Van Melderen' L. . . . 27917 1 5 Remy Loris R. . . . 27917 1 6 Alexander Volkov A. N. . . 27917 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cro repressor' 27917 1 HigA 27917 1 YdaS-like 27917 1 toxin-antitoxin 27917 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27917 _Assembly.ID 1 _Assembly.Name IdaS _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 IdaS 1 $IdaS A . yes native no no . . . 27917 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IdaS _Entity.Sf_category entity _Entity.Sf_framecode IdaS _Entity.Entry_ID 27917 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IdaS _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 ; MTLKEFIKSLRVGDAKKFAA RLGVSPSYLSQMASGRTAIS PTRALMIESATEGQVSRAEL RPHDWELIWPEYASGIRLGQ THVVHAEGDCSACLSDGVDS GSSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27917 1 2 . THR . 27917 1 3 . LEU . 27917 1 4 . LYS . 27917 1 5 . GLU . 27917 1 6 . PHE . 27917 1 7 . ILE . 27917 1 8 . LYS . 27917 1 9 . SER . 27917 1 10 . LEU . 27917 1 11 . ARG . 27917 1 12 . VAL . 27917 1 13 . GLY . 27917 1 14 . ASP . 27917 1 15 . ALA . 27917 1 16 . LYS . 27917 1 17 . LYS . 27917 1 18 . PHE . 27917 1 19 . ALA . 27917 1 20 . ALA . 27917 1 21 . ARG . 27917 1 22 . LEU . 27917 1 23 . GLY . 27917 1 24 . VAL . 27917 1 25 . SER . 27917 1 26 . PRO . 27917 1 27 . SER . 27917 1 28 . TYR . 27917 1 29 . LEU . 27917 1 30 . SER . 27917 1 31 . GLN . 27917 1 32 . MET . 27917 1 33 . ALA . 27917 1 34 . SER . 27917 1 35 . GLY . 27917 1 36 . ARG . 27917 1 37 . THR . 27917 1 38 . ALA . 27917 1 39 . ILE . 27917 1 40 . SER . 27917 1 41 . PRO . 27917 1 42 . THR . 27917 1 43 . ARG . 27917 1 44 . ALA . 27917 1 45 . LEU . 27917 1 46 . MET . 27917 1 47 . ILE . 27917 1 48 . GLU . 27917 1 49 . SER . 27917 1 50 . ALA . 27917 1 51 . THR . 27917 1 52 . GLU . 27917 1 53 . GLY . 27917 1 54 . GLN . 27917 1 55 . VAL . 27917 1 56 . SER . 27917 1 57 . ARG . 27917 1 58 . ALA . 27917 1 59 . GLU . 27917 1 60 . LEU . 27917 1 61 . ARG . 27917 1 62 . PRO . 27917 1 63 . HIS . 27917 1 64 . ASP . 27917 1 65 . TRP . 27917 1 66 . GLU . 27917 1 67 . LEU . 27917 1 68 . ILE . 27917 1 69 . TRP . 27917 1 70 . PRO . 27917 1 71 . GLU . 27917 1 72 . TYR . 27917 1 73 . ALA . 27917 1 74 . SER . 27917 1 75 . GLY . 27917 1 76 . ILE . 27917 1 77 . ARG . 27917 1 78 . LEU . 27917 1 79 . GLY . 27917 1 80 . GLN . 27917 1 81 . THR . 27917 1 82 . HIS . 27917 1 83 . VAL . 27917 1 84 . VAL . 27917 1 85 . HIS . 27917 1 86 . ALA . 27917 1 87 . GLU . 27917 1 88 . GLY . 27917 1 89 . ASP . 27917 1 90 . CYS . 27917 1 91 . SER . 27917 1 92 . ALA . 27917 1 93 . CYS . 27917 1 94 . LEU . 27917 1 95 . SER . 27917 1 96 . ASP . 27917 1 97 . GLY . 27917 1 98 . VAL . 27917 1 99 . ASP . 27917 1 100 . SER . 27917 1 101 . GLY . 27917 1 102 . SER . 27917 1 103 . SER . 27917 1 104 . HIS . 27917 1 105 . HIS . 27917 1 106 . HIS . 27917 1 107 . HIS . 27917 1 108 . HIS . 27917 1 109 . HIS . 27917 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 . MET 1 1 27917 1 . THR 2 2 27917 1 . LEU 3 3 27917 1 . LYS 4 4 27917 1 . GLU 5 5 27917 1 . PHE 6 6 27917 1 . ILE 7 7 27917 1 . LYS 8 8 27917 1 . SER 9 9 27917 1 . LEU 10 10 27917 1 . ARG 11 11 27917 1 . VAL 12 12 27917 1 . GLY 13 13 27917 1 . ASP 14 14 27917 1 . ALA 15 15 27917 1 . LYS 16 16 27917 1 . LYS 17 17 27917 1 . PHE 18 18 27917 1 . ALA 19 19 27917 1 . ALA 20 20 27917 1 . ARG 21 21 27917 1 . LEU 22 22 27917 1 . GLY 23 23 27917 1 . VAL 24 24 27917 1 . SER 25 25 27917 1 . PRO 26 26 27917 1 . SER 27 27 27917 1 . TYR 28 28 27917 1 . LEU 29 29 27917 1 . SER 30 30 27917 1 . GLN 31 31 27917 1 . MET 32 32 27917 1 . ALA 33 33 27917 1 . SER 34 34 27917 1 . GLY 35 35 27917 1 . ARG 36 36 27917 1 . THR 37 37 27917 1 . ALA 38 38 27917 1 . ILE 39 39 27917 1 . SER 40 40 27917 1 . PRO 41 41 27917 1 . THR 42 42 27917 1 . ARG 43 43 27917 1 . ALA 44 44 27917 1 . LEU 45 45 27917 1 . MET 46 46 27917 1 . ILE 47 47 27917 1 . GLU 48 48 27917 1 . SER 49 49 27917 1 . ALA 50 50 27917 1 . THR 51 51 27917 1 . GLU 52 52 27917 1 . GLY 53 53 27917 1 . GLN 54 54 27917 1 . VAL 55 55 27917 1 . SER 56 56 27917 1 . ARG 57 57 27917 1 . ALA 58 58 27917 1 . GLU 59 59 27917 1 . LEU 60 60 27917 1 . ARG 61 61 27917 1 . PRO 62 62 27917 1 . HIS 63 63 27917 1 . ASP 64 64 27917 1 . TRP 65 65 27917 1 . GLU 66 66 27917 1 . LEU 67 67 27917 1 . ILE 68 68 27917 1 . TRP 69 69 27917 1 . PRO 70 70 27917 1 . GLU 71 71 27917 1 . TYR 72 72 27917 1 . ALA 73 73 27917 1 . SER 74 74 27917 1 . GLY 75 75 27917 1 . ILE 76 76 27917 1 . ARG 77 77 27917 1 . LEU 78 78 27917 1 . GLY 79 79 27917 1 . GLN 80 80 27917 1 . THR 81 81 27917 1 . HIS 82 82 27917 1 . VAL 83 83 27917 1 . VAL 84 84 27917 1 . HIS 85 85 27917 1 . ALA 86 86 27917 1 . GLU 87 87 27917 1 . GLY 88 88 27917 1 . ASP 89 89 27917 1 . CYS 90 90 27917 1 . SER 91 91 27917 1 . ALA 92 92 27917 1 . CYS 93 93 27917 1 . LEU 94 94 27917 1 . SER 95 95 27917 1 . ASP 96 96 27917 1 . GLY 97 97 27917 1 . VAL 98 98 27917 1 . ASP 99 99 27917 1 . SER 100 100 27917 1 . GLY 101 101 27917 1 . SER 102 102 27917 1 . SER 103 103 27917 1 . HIS 104 104 27917 1 . HIS 105 105 27917 1 . HIS 106 106 27917 1 . HIS 107 107 27917 1 . HIS 108 108 27917 1 . HIS 109 109 27917 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 27917 _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 $IdaS . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli O157:H7 . . . . . . . . . . cog4197 . 27917 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 27917 _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 $IdaS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21[DE3] . . . . . pET28b . . . 27917 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27917 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 IdaS '[U-100% 13C; U-100% 15N]' . . 1 $IdaS . . 1 . . mM . . . . 27917 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27917 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27917 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 27917 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 27917 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 165 . mM 27917 1 pH 6.0 . pH 27917 1 pressure 1 . atm 27917 1 temperature 298 . K 27917 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27917 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27917 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27917 1 . processing 27917 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27917 _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' . . 27917 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27917 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27917 _Software.ID 3 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27917 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27917 3 . 'data analysis' 27917 3 . 'peak picking' 27917 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27917 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27917 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27917 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 27917 _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 . . . . . . . . . . . . . . . . 27917 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 7 '3D H(C)CH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 8 '3D (H)CCH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 14 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 1 15 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27917 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 27917 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27917 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27917 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27917 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27917 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27917 1 2 '3D HNCACB' . . . 27917 1 3 '3D HN(CO)CACB' . . . 27917 1 4 '3D HNCO' . . . 27917 1 5 '3D HN(CA)CO' . . . 27917 1 6 '3D HBHA(CO)NH' . . . 27917 1 7 '3D H(C)CH TOCSY' . . . 27917 1 8 '3D (H)CCH TOCSY' . . . 27917 1 9 '2D 1H-13C HSQC' . . . 27917 1 10 '2D 1H-13C HSQC aromatic' . . . 27917 1 11 '3D 1H-15N NOESY' . . . 27917 1 12 '3D 1H-13C NOESY aliphatic' . . . 27917 1 13 '3D 1H-13C NOESY aromatic' . . . 27917 1 14 '2D (HB)CB(CGCD)HD' . . . 27917 1 15 '2D (HB)CB(CGCDCE)HE' . . . 27917 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.166 0.04 . 1 . . . . . 1 MET HA . 27917 1 2 . 1 . 1 1 1 MET HB2 H 1 2.177 0.04 . 2 . . . . . 1 MET HB2 . 27917 1 3 . 1 . 1 1 1 MET HB3 H 1 2.224 0.04 . 2 . . . . . 1 MET HB3 . 27917 1 4 . 1 . 1 1 1 MET HG2 H 1 2.530 0.04 . 2 . . . . . 1 MET HG2 . 27917 1 5 . 1 . 1 1 1 MET HG3 H 1 2.567 0.04 . 2 . . . . . 1 MET HG3 . 27917 1 6 . 1 . 1 1 1 MET HE1 H 1 2.064 0.04 . 1 . . . . . 1 MET HE* . 27917 1 7 . 1 . 1 1 1 MET HE2 H 1 2.064 0.04 . 1 . . . . . 1 MET HE* . 27917 1 8 . 1 . 1 1 1 MET HE3 H 1 2.064 0.04 . 1 . . . . . 1 MET HE* . 27917 1 9 . 1 . 1 1 1 MET C C 13 171.501 0.4 . 1 . . . . . 1 MET C . 27917 1 10 . 1 . 1 1 1 MET CA C 13 54.771 0.4 . 1 . . . . . 1 MET CA . 27917 1 11 . 1 . 1 1 1 MET CB C 13 34.398 0.4 . 1 . . . . . 1 MET CB . 27917 1 12 . 1 . 1 1 1 MET CG C 13 29.769 0.4 . 1 . . . . . 1 MET CG . 27917 1 13 . 1 . 1 1 1 MET CE C 13 16.706 0.4 . 1 . . . . . 1 MET CE . 27917 1 14 . 1 . 1 2 2 THR H H 1 8.447 0.04 . 1 . . . . . 2 THR H . 27917 1 15 . 1 . 1 2 2 THR HA H 1 4.136 0.04 . 1 . . . . . 2 THR HA . 27917 1 16 . 1 . 1 2 2 THR HB H 1 4.684 0.04 . 1 . . . . . 2 THR HB . 27917 1 17 . 1 . 1 2 2 THR HG21 H 1 1.346 0.04 . 1 . . . . . 2 THR HG2* . 27917 1 18 . 1 . 1 2 2 THR HG22 H 1 1.346 0.04 . 1 . . . . . 2 THR HG2* . 27917 1 19 . 1 . 1 2 2 THR HG23 H 1 1.346 0.04 . 1 . . . . . 2 THR HG2* . 27917 1 20 . 1 . 1 2 2 THR C C 13 175.537 0.4 . 1 . . . . . 2 THR C . 27917 1 21 . 1 . 1 2 2 THR CA C 13 61.186 0.4 . 1 . . . . . 2 THR CA . 27917 1 22 . 1 . 1 2 2 THR CB C 13 70.783 0.4 . 1 . . . . . 2 THR CB . 27917 1 23 . 1 . 1 2 2 THR CG2 C 13 22.123 0.4 . 1 . . . . . 2 THR CG2 . 27917 1 24 . 1 . 1 2 2 THR N N 15 108.777 0.2 . 1 . . . . . 2 THR N . 27917 1 25 . 1 . 1 3 3 LEU H H 1 8.965 0.04 . 1 . . . . . 3 LEU H . 27917 1 26 . 1 . 1 3 3 LEU HA H 1 4.072 0.04 . 1 . . . . . 3 LEU HA . 27917 1 27 . 1 . 1 3 3 LEU HB2 H 1 1.414 0.04 . 2 . . . . . 3 LEU HB2 . 27917 1 28 . 1 . 1 3 3 LEU HB3 H 1 1.902 0.04 . 2 . . . . . 3 LEU HB3 . 27917 1 29 . 1 . 1 3 3 LEU HG H 1 1.655 0.04 . 1 . . . . . 3 LEU HG . 27917 1 30 . 1 . 1 3 3 LEU HD11 H 1 0.785 0.04 . 2 . . . . . 3 LEU HD1* . 27917 1 31 . 1 . 1 3 3 LEU HD12 H 1 0.785 0.04 . 2 . . . . . 3 LEU HD1* . 27917 1 32 . 1 . 1 3 3 LEU HD13 H 1 0.785 0.04 . 2 . . . . . 3 LEU HD1* . 27917 1 33 . 1 . 1 3 3 LEU HD21 H 1 1.034 0.04 . 2 . . . . . 3 LEU HD2* . 27917 1 34 . 1 . 1 3 3 LEU HD22 H 1 1.034 0.04 . 2 . . . . . 3 LEU HD2* . 27917 1 35 . 1 . 1 3 3 LEU HD23 H 1 1.034 0.04 . 2 . . . . . 3 LEU HD2* . 27917 1 36 . 1 . 1 3 3 LEU C C 13 178.144 0.4 . 1 . . . . . 3 LEU C . 27917 1 37 . 1 . 1 3 3 LEU CA C 13 58.060 0.4 . 1 . . . . . 3 LEU CA . 27917 1 38 . 1 . 1 3 3 LEU CB C 13 41.538 0.4 . 1 . . . . . 3 LEU CB . 27917 1 39 . 1 . 1 3 3 LEU CG C 13 26.807 0.4 . 1 . . . . . 3 LEU CG . 27917 1 40 . 1 . 1 3 3 LEU CD1 C 13 25.745 0.4 . 2 . . . . . 3 LEU CD1 . 27917 1 41 . 1 . 1 3 3 LEU CD2 C 13 23.190 0.4 . 2 . . . . . 3 LEU CD2 . 27917 1 42 . 1 . 1 3 3 LEU N N 15 121.507 0.2 . 1 . . . . . 3 LEU N . 27917 1 43 . 1 . 1 4 4 LYS H H 1 8.674 0.04 . 1 . . . . . 4 LYS H . 27917 1 44 . 1 . 1 4 4 LYS HA H 1 3.776 0.04 . 1 . . . . . 4 LYS HA . 27917 1 45 . 1 . 1 4 4 LYS HB2 H 1 1.706 0.04 . 2 . . . . . 4 LYS HB2 . 27917 1 46 . 1 . 1 4 4 LYS HB3 H 1 1.917 0.04 . 2 . . . . . 4 LYS HB3 . 27917 1 47 . 1 . 1 4 4 LYS HG2 H 1 1.318 0.04 . 1 . . . . . 4 LYS HG2 . 27917 1 48 . 1 . 1 4 4 LYS HG3 H 1 1.318 0.04 . 1 . . . . . 4 LYS HG3 . 27917 1 49 . 1 . 1 4 4 LYS HD2 H 1 1.611 0.04 . 1 . . . . . 4 LYS HD2 . 27917 1 50 . 1 . 1 4 4 LYS HD3 H 1 1.611 0.04 . 1 . . . . . 4 LYS HD3 . 27917 1 51 . 1 . 1 4 4 LYS HE2 H 1 2.916 0.04 . 1 . . . . . 4 LYS HE2 . 27917 1 52 . 1 . 1 4 4 LYS HE3 H 1 2.916 0.04 . 1 . . . . . 4 LYS HE3 . 27917 1 53 . 1 . 1 4 4 LYS C C 13 178.462 0.4 . 1 . . . . . 4 LYS C . 27917 1 54 . 1 . 1 4 4 LYS CA C 13 60.095 0.4 . 1 . . . . . 4 LYS CA . 27917 1 55 . 1 . 1 4 4 LYS CB C 13 32.279 0.4 . 1 . . . . . 4 LYS CB . 27917 1 56 . 1 . 1 4 4 LYS CG C 13 24.621 0.4 . 1 . . . . . 4 LYS CG . 27917 1 57 . 1 . 1 4 4 LYS CD C 13 29.525 0.4 . 1 . . . . . 4 LYS CD . 27917 1 58 . 1 . 1 4 4 LYS CE C 13 41.881 0.4 . 1 . . . . . 4 LYS CE . 27917 1 59 . 1 . 1 4 4 LYS N N 15 117.686 0.2 . 1 . . . . . 4 LYS N . 27917 1 60 . 1 . 1 5 5 GLU H H 1 7.581 0.04 . 1 . . . . . 5 GLU H . 27917 1 61 . 1 . 1 5 5 GLU HA H 1 3.757 0.04 . 1 . . . . . 5 GLU HA . 27917 1 62 . 1 . 1 5 5 GLU HB2 H 1 1.941 0.04 . 2 . . . . . 5 GLU HB2 . 27917 1 63 . 1 . 1 5 5 GLU HB3 H 1 2.112 0.04 . 2 . . . . . 5 GLU HB3 . 27917 1 64 . 1 . 1 5 5 GLU HG2 H 1 2.212 0.04 . 2 . . . . . 5 GLU HG2 . 27917 1 65 . 1 . 1 5 5 GLU HG3 H 1 2.251 0.04 . 2 . . . . . 5 GLU HG3 . 27917 1 66 . 1 . 1 5 5 GLU C C 13 178.814 0.4 . 1 . . . . . 5 GLU C . 27917 1 67 . 1 . 1 5 5 GLU CA C 13 59.015 0.4 . 1 . . . . . 5 GLU CA . 27917 1 68 . 1 . 1 5 5 GLU CB C 13 29.703 0.4 . 1 . . . . . 5 GLU CB . 27917 1 69 . 1 . 1 5 5 GLU CG C 13 37.055 0.4 . 1 . . . . . 5 GLU CG . 27917 1 70 . 1 . 1 5 5 GLU N N 15 118.983 0.2 . 1 . . . . . 5 GLU N . 27917 1 71 . 1 . 1 6 6 PHE H H 1 8.443 0.04 . 1 . . . . . 6 PHE H . 27917 1 72 . 1 . 1 6 6 PHE HA H 1 3.985 0.04 . 1 . . . . . 6 PHE HA . 27917 1 73 . 1 . 1 6 6 PHE HB2 H 1 2.806 0.04 . 2 . . . . . 6 PHE HB2 . 27917 1 74 . 1 . 1 6 6 PHE HB3 H 1 2.900 0.04 . 2 . . . . . 6 PHE HB3 . 27917 1 75 . 1 . 1 6 6 PHE HD1 H 1 6.699 0.04 . 3 . . . . . 6 PHE HD* . 27917 1 76 . 1 . 1 6 6 PHE HD2 H 1 6.699 0.04 . 3 . . . . . 6 PHE HD* . 27917 1 77 . 1 . 1 6 6 PHE HE1 H 1 6.300 0.04 . 3 . . . . . 6 PHE HE* . 27917 1 78 . 1 . 1 6 6 PHE HE2 H 1 6.300 0.04 . 3 . . . . . 6 PHE HE* . 27917 1 79 . 1 . 1 6 6 PHE HZ H 1 6.909 0.04 . 1 . . . . . 6 PHE HZ . 27917 1 80 . 1 . 1 6 6 PHE C C 13 178.785 0.4 . 1 . . . . . 6 PHE C . 27917 1 81 . 1 . 1 6 6 PHE CA C 13 62.124 0.4 . 1 . . . . . 6 PHE CA . 27917 1 82 . 1 . 1 6 6 PHE CB C 13 39.769 0.4 . 1 . . . . . 6 PHE CB . 27917 1 83 . 1 . 1 6 6 PHE CD1 C 13 130.786 0.4 . 3 . . . . . 6 PHE CD* . 27917 1 84 . 1 . 1 6 6 PHE CD2 C 13 130.786 0.4 . 3 . . . . . 6 PHE CD* . 27917 1 85 . 1 . 1 6 6 PHE CE1 C 13 131.622 0.4 . 3 . . . . . 6 PHE CE* . 27917 1 86 . 1 . 1 6 6 PHE CE2 C 13 131.622 0.4 . 3 . . . . . 6 PHE CE* . 27917 1 87 . 1 . 1 6 6 PHE CZ C 13 129.896 0.4 . 1 . . . . . 6 PHE CZ . 27917 1 88 . 1 . 1 6 6 PHE N N 15 121.237 0.2 . 1 . . . . . 6 PHE N . 27917 1 89 . 1 . 1 7 7 ILE H H 1 8.546 0.04 . 1 . . . . . 7 ILE H . 27917 1 90 . 1 . 1 7 7 ILE HA H 1 3.316 0.04 . 1 . . . . . 7 ILE HA . 27917 1 91 . 1 . 1 7 7 ILE HB H 1 1.811 0.04 . 1 . . . . . 7 ILE HB . 27917 1 92 . 1 . 1 7 7 ILE HG12 H 1 1.170 0.04 . 2 . . . . . 7 ILE HG12 . 27917 1 93 . 1 . 1 7 7 ILE HG13 H 1 1.747 0.04 . 2 . . . . . 7 ILE HG13 . 27917 1 94 . 1 . 1 7 7 ILE HG21 H 1 0.845 0.04 . 1 . . . . . 7 ILE HG2* . 27917 1 95 . 1 . 1 7 7 ILE HG22 H 1 0.845 0.04 . 1 . . . . . 7 ILE HG2* . 27917 1 96 . 1 . 1 7 7 ILE HG23 H 1 0.845 0.04 . 1 . . . . . 7 ILE HG2* . 27917 1 97 . 1 . 1 7 7 ILE HD11 H 1 0.792 0.04 . 1 . . . . . 7 ILE HD1* . 27917 1 98 . 1 . 1 7 7 ILE HD12 H 1 0.792 0.04 . 1 . . . . . 7 ILE HD1* . 27917 1 99 . 1 . 1 7 7 ILE HD13 H 1 0.792 0.04 . 1 . . . . . 7 ILE HD1* . 27917 1 100 . 1 . 1 7 7 ILE C C 13 178.554 0.4 . 1 . . . . . 7 ILE C . 27917 1 101 . 1 . 1 7 7 ILE CA C 13 64.800 0.4 . 1 . . . . . 7 ILE CA . 27917 1 102 . 1 . 1 7 7 ILE CB C 13 37.593 0.4 . 1 . . . . . 7 ILE CB . 27917 1 103 . 1 . 1 7 7 ILE CG1 C 13 29.136 0.4 . 1 . . . . . 7 ILE CG1 . 27917 1 104 . 1 . 1 7 7 ILE CG2 C 13 17.505 0.4 . 1 . . . . . 7 ILE CG2 . 27917 1 105 . 1 . 1 7 7 ILE CD1 C 13 14.144 0.4 . 1 . . . . . 7 ILE CD1 . 27917 1 106 . 1 . 1 7 7 ILE N N 15 118.809 0.2 . 1 . . . . . 7 ILE N . 27917 1 107 . 1 . 1 8 8 LYS H H 1 7.659 0.04 . 1 . . . . . 8 LYS H . 27917 1 108 . 1 . 1 8 8 LYS HA H 1 3.955 0.04 . 1 . . . . . 8 LYS HA . 27917 1 109 . 1 . 1 8 8 LYS HB2 H 1 1.783 0.04 . 1 . . . . . 8 LYS HB2 . 27917 1 110 . 1 . 1 8 8 LYS HB3 H 1 1.783 0.04 . 1 . . . . . 8 LYS HB3 . 27917 1 111 . 1 . 1 8 8 LYS HG2 H 1 1.399 0.04 . 2 . . . . . 8 LYS HG2 . 27917 1 112 . 1 . 1 8 8 LYS HG3 H 1 1.461 0.04 . 2 . . . . . 8 LYS HG3 . 27917 1 113 . 1 . 1 8 8 LYS HD2 H 1 1.537 0.04 . 2 . . . . . 8 LYS HD2 . 27917 1 114 . 1 . 1 8 8 LYS HD3 H 1 1.590 0.04 . 2 . . . . . 8 LYS HD3 . 27917 1 115 . 1 . 1 8 8 LYS HE2 H 1 2.864 0.04 . 1 . . . . . 8 LYS HE2 . 27917 1 116 . 1 . 1 8 8 LYS HE3 H 1 2.864 0.04 . 1 . . . . . 8 LYS HE3 . 27917 1 117 . 1 . 1 8 8 LYS C C 13 176.890 0.4 . 1 . . . . . 8 LYS C . 27917 1 118 . 1 . 1 8 8 LYS CA C 13 58.381 0.4 . 1 . . . . . 8 LYS CA . 27917 1 119 . 1 . 1 8 8 LYS CB C 13 32.121 0.4 . 1 . . . . . 8 LYS CB . 27917 1 120 . 1 . 1 8 8 LYS CG C 13 24.898 0.4 . 1 . . . . . 8 LYS CG . 27917 1 121 . 1 . 1 8 8 LYS CD C 13 29.171 0.4 . 1 . . . . . 8 LYS CD . 27917 1 122 . 1 . 1 8 8 LYS CE C 13 41.943 0.4 . 1 . . . . . 8 LYS CE . 27917 1 123 . 1 . 1 8 8 LYS N N 15 119.641 0.2 . 1 . . . . . 8 LYS N . 27917 1 124 . 1 . 1 9 9 SER H H 1 7.264 0.04 . 1 . . . . . 9 SER H . 27917 1 125 . 1 . 1 9 9 SER HA H 1 4.181 0.04 . 1 . . . . . 9 SER HA . 27917 1 126 . 1 . 1 9 9 SER HB2 H 1 3.705 0.04 . 2 . . . . . 9 SER HB2 . 27917 1 127 . 1 . 1 9 9 SER HB3 H 1 3.804 0.04 . 2 . . . . . 9 SER HB3 . 27917 1 128 . 1 . 1 9 9 SER C C 13 173.760 0.4 . 1 . . . . . 9 SER C . 27917 1 129 . 1 . 1 9 9 SER CA C 13 59.292 0.4 . 1 . . . . . 9 SER CA . 27917 1 130 . 1 . 1 9 9 SER CB C 13 63.838 0.4 . 1 . . . . . 9 SER CB . 27917 1 131 . 1 . 1 9 9 SER N N 15 113.268 0.2 . 1 . . . . . 9 SER N . 27917 1 132 . 1 . 1 10 10 LEU H H 1 7.014 0.04 . 1 . . . . . 10 LEU H . 27917 1 133 . 1 . 1 10 10 LEU HA H 1 4.232 0.04 . 1 . . . . . 10 LEU HA . 27917 1 134 . 1 . 1 10 10 LEU HB2 H 1 1.197 0.04 . 2 . . . . . 10 LEU HB2 . 27917 1 135 . 1 . 1 10 10 LEU HB3 H 1 1.655 0.04 . 2 . . . . . 10 LEU HB3 . 27917 1 136 . 1 . 1 10 10 LEU HG H 1 1.357 0.04 . 1 . . . . . 10 LEU HG . 27917 1 137 . 1 . 1 10 10 LEU HD11 H 1 0.265 0.04 . 2 . . . . . 10 LEU HD1* . 27917 1 138 . 1 . 1 10 10 LEU HD12 H 1 0.265 0.04 . 2 . . . . . 10 LEU HD1* . 27917 1 139 . 1 . 1 10 10 LEU HD13 H 1 0.265 0.04 . 2 . . . . . 10 LEU HD1* . 27917 1 140 . 1 . 1 10 10 LEU HD21 H 1 0.358 0.04 . 2 . . . . . 10 LEU HD2* . 27917 1 141 . 1 . 1 10 10 LEU HD22 H 1 0.358 0.04 . 2 . . . . . 10 LEU HD2* . 27917 1 142 . 1 . 1 10 10 LEU HD23 H 1 0.358 0.04 . 2 . . . . . 10 LEU HD2* . 27917 1 143 . 1 . 1 10 10 LEU C C 13 178.100 0.4 . 1 . . . . . 10 LEU C . 27917 1 144 . 1 . 1 10 10 LEU CA C 13 54.004 0.4 . 1 . . . . . 10 LEU CA . 27917 1 145 . 1 . 1 10 10 LEU CB C 13 42.684 0.4 . 1 . . . . . 10 LEU CB . 27917 1 146 . 1 . 1 10 10 LEU CG C 13 25.346 0.4 . 1 . . . . . 10 LEU CG . 27917 1 147 . 1 . 1 10 10 LEU CD1 C 13 21.497 0.4 . 2 . . . . . 10 LEU CD1 . 27917 1 148 . 1 . 1 10 10 LEU CD2 C 13 25.335 0.4 . 2 . . . . . 10 LEU CD2 . 27917 1 149 . 1 . 1 10 10 LEU N N 15 122.165 0.2 . 1 . . . . . 10 LEU N . 27917 1 150 . 1 . 1 11 11 ARG H H 1 8.778 0.04 . 1 . . . . . 11 ARG H . 27917 1 151 . 1 . 1 11 11 ARG HA H 1 4.260 0.04 . 1 . . . . . 11 ARG HA . 27917 1 152 . 1 . 1 11 11 ARG HB2 H 1 1.726 0.04 . 2 . . . . . 11 ARG HB2 . 27917 1 153 . 1 . 1 11 11 ARG HB3 H 1 1.946 0.04 . 2 . . . . . 11 ARG HB3 . 27917 1 154 . 1 . 1 11 11 ARG HG2 H 1 1.702 0.04 . 2 . . . . . 11 ARG HG2 . 27917 1 155 . 1 . 1 11 11 ARG HG3 H 1 1.761 0.04 . 2 . . . . . 11 ARG HG3 . 27917 1 156 . 1 . 1 11 11 ARG HD2 H 1 3.171 0.04 . 2 . . . . . 11 ARG HD2 . 27917 1 157 . 1 . 1 11 11 ARG HD3 H 1 3.213 0.04 . 2 . . . . . 11 ARG HD3 . 27917 1 158 . 1 . 1 11 11 ARG C C 13 178.153 0.4 . 1 . . . . . 11 ARG C . 27917 1 159 . 1 . 1 11 11 ARG CA C 13 56.083 0.4 . 1 . . . . . 11 ARG CA . 27917 1 160 . 1 . 1 11 11 ARG CB C 13 30.632 0.4 . 1 . . . . . 11 ARG CB . 27917 1 161 . 1 . 1 11 11 ARG CG C 13 27.463 0.4 . 1 . . . . . 11 ARG CG . 27917 1 162 . 1 . 1 11 11 ARG CD C 13 43.388 0.4 . 1 . . . . . 11 ARG CD . 27917 1 163 . 1 . 1 11 11 ARG N N 15 122.237 0.2 . 1 . . . . . 11 ARG N . 27917 1 164 . 1 . 1 12 12 VAL H H 1 8.581 0.04 . 1 . . . . . 12 VAL H . 27917 1 165 . 1 . 1 12 12 VAL HA H 1 3.715 0.04 . 1 . . . . . 12 VAL HA . 27917 1 166 . 1 . 1 12 12 VAL HB H 1 2.013 0.04 . 1 . . . . . 12 VAL HB . 27917 1 167 . 1 . 1 12 12 VAL HG11 H 1 0.941 0.04 . 2 . . . . . 12 VAL HG1* . 27917 1 168 . 1 . 1 12 12 VAL HG12 H 1 0.941 0.04 . 2 . . . . . 12 VAL HG1* . 27917 1 169 . 1 . 1 12 12 VAL HG13 H 1 0.941 0.04 . 2 . . . . . 12 VAL HG1* . 27917 1 170 . 1 . 1 12 12 VAL HG21 H 1 1.024 0.04 . 2 . . . . . 12 VAL HG2* . 27917 1 171 . 1 . 1 12 12 VAL HG22 H 1 1.024 0.04 . 2 . . . . . 12 VAL HG2* . 27917 1 172 . 1 . 1 12 12 VAL HG23 H 1 1.024 0.04 . 2 . . . . . 12 VAL HG2* . 27917 1 173 . 1 . 1 12 12 VAL C C 13 178.128 0.4 . 1 . . . . . 12 VAL C . 27917 1 174 . 1 . 1 12 12 VAL CA C 13 66.377 0.4 . 1 . . . . . 12 VAL CA . 27917 1 175 . 1 . 1 12 12 VAL CB C 13 31.468 0.4 . 1 . . . . . 12 VAL CB . 27917 1 176 . 1 . 1 12 12 VAL CG1 C 13 20.529 0.4 . 2 . . . . . 12 VAL CG1 . 27917 1 177 . 1 . 1 12 12 VAL CG2 C 13 21.744 0.4 . 2 . . . . . 12 VAL CG2 . 27917 1 178 . 1 . 1 12 12 VAL N N 15 122.786 0.2 . 1 . . . . . 12 VAL N . 27917 1 179 . 1 . 1 13 13 GLY H H 1 8.800 0.04 . 1 . . . . . 13 GLY H . 27917 1 180 . 1 . 1 13 13 GLY HA2 H 1 3.797 0.04 . 2 . . . . . 13 GLY HA2 . 27917 1 181 . 1 . 1 13 13 GLY HA3 H 1 4.055 0.04 . 2 . . . . . 13 GLY HA3 . 27917 1 182 . 1 . 1 13 13 GLY CA C 13 46.630 0.4 . 1 . . . . . 13 GLY CA . 27917 1 183 . 1 . 1 13 13 GLY N N 15 110.272 0.2 . 1 . . . . . 13 GLY N . 27917 1 184 . 1 . 1 14 14 ASP HA H 1 4.652 0.04 . 1 . . . . . 14 ASP HA . 27917 1 185 . 1 . 1 14 14 ASP HB2 H 1 2.646 0.04 . 2 . . . . . 14 ASP HB2 . 27917 1 186 . 1 . 1 14 14 ASP HB3 H 1 2.793 0.04 . 2 . . . . . 14 ASP HB3 . 27917 1 187 . 1 . 1 14 14 ASP C C 13 179.072 0.4 . 1 . . . . . 14 ASP C . 27917 1 188 . 1 . 1 14 14 ASP CA C 13 56.506 0.4 . 1 . . . . . 14 ASP CA . 27917 1 189 . 1 . 1 14 14 ASP CB C 13 40.836 0.4 . 1 . . . . . 14 ASP CB . 27917 1 190 . 1 . 1 15 15 ALA H H 1 8.756 0.04 . 1 . . . . . 15 ALA H . 27917 1 191 . 1 . 1 15 15 ALA HA H 1 4.081 0.04 . 1 . . . . . 15 ALA HA . 27917 1 192 . 1 . 1 15 15 ALA HB1 H 1 1.445 0.04 . 1 . . . . . 15 ALA HB* . 27917 1 193 . 1 . 1 15 15 ALA HB2 H 1 1.445 0.04 . 1 . . . . . 15 ALA HB* . 27917 1 194 . 1 . 1 15 15 ALA HB3 H 1 1.445 0.04 . 1 . . . . . 15 ALA HB* . 27917 1 195 . 1 . 1 15 15 ALA C C 13 180.054 0.4 . 1 . . . . . 15 ALA C . 27917 1 196 . 1 . 1 15 15 ALA CA C 13 55.847 0.4 . 1 . . . . . 15 ALA CA . 27917 1 197 . 1 . 1 15 15 ALA CB C 13 17.211 0.4 . 1 . . . . . 15 ALA CB . 27917 1 198 . 1 . 1 15 15 ALA N N 15 126.501 0.2 . 1 . . . . . 15 ALA N . 27917 1 199 . 1 . 1 16 16 LYS H H 1 7.959 0.04 . 1 . . . . . 16 LYS H . 27917 1 200 . 1 . 1 16 16 LYS HA H 1 3.952 0.04 . 1 . . . . . 16 LYS HA . 27917 1 201 . 1 . 1 16 16 LYS HB2 H 1 1.904 0.04 . 2 . . . . . 16 LYS HB2 . 27917 1 202 . 1 . 1 16 16 LYS HB3 H 1 1.950 0.04 . 2 . . . . . 16 LYS HB3 . 27917 1 203 . 1 . 1 16 16 LYS HG2 H 1 1.367 0.04 . 2 . . . . . 16 LYS HG2 . 27917 1 204 . 1 . 1 16 16 LYS HG3 H 1 1.605 0.04 . 2 . . . . . 16 LYS HG3 . 27917 1 205 . 1 . 1 16 16 LYS HD2 H 1 1.699 0.04 . 1 . . . . . 16 LYS HD2 . 27917 1 206 . 1 . 1 16 16 LYS HD3 H 1 1.699 0.04 . 1 . . . . . 16 LYS HD3 . 27917 1 207 . 1 . 1 16 16 LYS HE2 H 1 2.950 0.04 . 1 . . . . . 16 LYS HE2 . 27917 1 208 . 1 . 1 16 16 LYS HE3 H 1 2.950 0.04 . 1 . . . . . 16 LYS HE3 . 27917 1 209 . 1 . 1 16 16 LYS C C 13 179.519 0.4 . 1 . . . . . 16 LYS C . 27917 1 210 . 1 . 1 16 16 LYS CA C 13 60.239 0.4 . 1 . . . . . 16 LYS CA . 27917 1 211 . 1 . 1 16 16 LYS CB C 13 32.192 0.4 . 1 . . . . . 16 LYS CB . 27917 1 212 . 1 . 1 16 16 LYS CG C 13 25.590 0.4 . 1 . . . . . 16 LYS CG . 27917 1 213 . 1 . 1 16 16 LYS CD C 13 29.488 0.4 . 1 . . . . . 16 LYS CD . 27917 1 214 . 1 . 1 16 16 LYS CE C 13 42.108 0.4 . 1 . . . . . 16 LYS CE . 27917 1 215 . 1 . 1 16 16 LYS N N 15 119.079 0.2 . 1 . . . . . 16 LYS N . 27917 1 216 . 1 . 1 17 17 LYS H H 1 7.365 0.04 . 1 . . . . . 17 LYS H . 27917 1 217 . 1 . 1 17 17 LYS HA H 1 4.108 0.04 . 1 . . . . . 17 LYS HA . 27917 1 218 . 1 . 1 17 17 LYS HB2 H 1 1.955 0.04 . 1 . . . . . 17 LYS HB2 . 27917 1 219 . 1 . 1 17 17 LYS HB3 H 1 1.955 0.04 . 1 . . . . . 17 LYS HB3 . 27917 1 220 . 1 . 1 17 17 LYS HG2 H 1 1.448 0.04 . 2 . . . . . 17 LYS HG2 . 27917 1 221 . 1 . 1 17 17 LYS HG3 H 1 1.649 0.04 . 2 . . . . . 17 LYS HG3 . 27917 1 222 . 1 . 1 17 17 LYS HD2 H 1 1.707 0.04 . 1 . . . . . 17 LYS HD2 . 27917 1 223 . 1 . 1 17 17 LYS HD3 H 1 1.707 0.04 . 1 . . . . . 17 LYS HD3 . 27917 1 224 . 1 . 1 17 17 LYS HE2 H 1 2.955 0.04 . 1 . . . . . 17 LYS HE2 . 27917 1 225 . 1 . 1 17 17 LYS HE3 H 1 2.955 0.04 . 1 . . . . . 17 LYS HE3 . 27917 1 226 . 1 . 1 17 17 LYS C C 13 178.601 0.4 . 1 . . . . . 17 LYS C . 27917 1 227 . 1 . 1 17 17 LYS CA C 13 59.396 0.4 . 1 . . . . . 17 LYS CA . 27917 1 228 . 1 . 1 17 17 LYS CB C 13 32.619 0.4 . 1 . . . . . 17 LYS CB . 27917 1 229 . 1 . 1 17 17 LYS CG C 13 25.575 0.4 . 1 . . . . . 17 LYS CG . 27917 1 230 . 1 . 1 17 17 LYS CD C 13 29.495 0.4 . 1 . . . . . 17 LYS CD . 27917 1 231 . 1 . 1 17 17 LYS CE C 13 42.114 0.4 . 1 . . . . . 17 LYS CE . 27917 1 232 . 1 . 1 17 17 LYS N N 15 119.969 0.2 . 1 . . . . . 17 LYS N . 27917 1 233 . 1 . 1 18 18 PHE H H 1 8.260 0.04 . 1 . . . . . 18 PHE H . 27917 1 234 . 1 . 1 18 18 PHE HA H 1 4.342 0.04 . 1 . . . . . 18 PHE HA . 27917 1 235 . 1 . 1 18 18 PHE HB2 H 1 3.064 0.04 . 2 . . . . . 18 PHE HB2 . 27917 1 236 . 1 . 1 18 18 PHE HB3 H 1 3.346 0.04 . 2 . . . . . 18 PHE HB3 . 27917 1 237 . 1 . 1 18 18 PHE HD1 H 1 7.225 0.04 . 3 . . . . . 18 PHE HD* . 27917 1 238 . 1 . 1 18 18 PHE HD2 H 1 7.225 0.04 . 3 . . . . . 18 PHE HD* . 27917 1 239 . 1 . 1 18 18 PHE HE1 H 1 6.960 0.04 . 3 . . . . . 18 PHE HE* . 27917 1 240 . 1 . 1 18 18 PHE HE2 H 1 6.960 0.04 . 3 . . . . . 18 PHE HE* . 27917 1 241 . 1 . 1 18 18 PHE HZ H 1 6.698 0.04 . 1 . . . . . 18 PHE HZ . 27917 1 242 . 1 . 1 18 18 PHE C C 13 176.591 0.4 . 1 . . . . . 18 PHE C . 27917 1 243 . 1 . 1 18 18 PHE CA C 13 60.734 0.4 . 1 . . . . . 18 PHE CA . 27917 1 244 . 1 . 1 18 18 PHE CB C 13 39.318 0.4 . 1 . . . . . 18 PHE CB . 27917 1 245 . 1 . 1 18 18 PHE CD1 C 13 131.655 0.4 . 3 . . . . . 18 PHE CD* . 27917 1 246 . 1 . 1 18 18 PHE CD2 C 13 131.655 0.4 . 3 . . . . . 18 PHE CD* . 27917 1 247 . 1 . 1 18 18 PHE CE1 C 13 130.626 0.4 . 3 . . . . . 18 PHE CE* . 27917 1 248 . 1 . 1 18 18 PHE CE2 C 13 130.626 0.4 . 3 . . . . . 18 PHE CE* . 27917 1 249 . 1 . 1 18 18 PHE CZ C 13 128.792 0.4 . 1 . . . . . 18 PHE CZ . 27917 1 250 . 1 . 1 18 18 PHE N N 15 122.445 0.2 . 1 . . . . . 18 PHE N . 27917 1 251 . 1 . 1 19 19 ALA H H 1 8.033 0.04 . 1 . . . . . 19 ALA H . 27917 1 252 . 1 . 1 19 19 ALA HA H 1 3.566 0.04 . 1 . . . . . 19 ALA HA . 27917 1 253 . 1 . 1 19 19 ALA HB1 H 1 1.401 0.04 . 1 . . . . . 19 ALA HB* . 27917 1 254 . 1 . 1 19 19 ALA HB2 H 1 1.401 0.04 . 1 . . . . . 19 ALA HB* . 27917 1 255 . 1 . 1 19 19 ALA HB3 H 1 1.401 0.04 . 1 . . . . . 19 ALA HB* . 27917 1 256 . 1 . 1 19 19 ALA C C 13 178.937 0.4 . 1 . . . . . 19 ALA C . 27917 1 257 . 1 . 1 19 19 ALA CA C 13 55.616 0.4 . 1 . . . . . 19 ALA CA . 27917 1 258 . 1 . 1 19 19 ALA CB C 13 16.884 0.4 . 1 . . . . . 19 ALA CB . 27917 1 259 . 1 . 1 19 19 ALA N N 15 119.680 0.2 . 1 . . . . . 19 ALA N . 27917 1 260 . 1 . 1 20 20 ALA H H 1 7.589 0.04 . 1 . . . . . 20 ALA H . 27917 1 261 . 1 . 1 20 20 ALA HA H 1 4.117 0.04 . 1 . . . . . 20 ALA HA . 27917 1 262 . 1 . 1 20 20 ALA HB1 H 1 1.480 0.04 . 1 . . . . . 20 ALA HB* . 27917 1 263 . 1 . 1 20 20 ALA HB2 H 1 1.480 0.04 . 1 . . . . . 20 ALA HB* . 27917 1 264 . 1 . 1 20 20 ALA HB3 H 1 1.480 0.04 . 1 . . . . . 20 ALA HB* . 27917 1 265 . 1 . 1 20 20 ALA C C 13 181.498 0.4 . 1 . . . . . 20 ALA C . 27917 1 266 . 1 . 1 20 20 ALA CA C 13 55.150 0.4 . 1 . . . . . 20 ALA CA . 27917 1 267 . 1 . 1 20 20 ALA CB C 13 17.669 0.4 . 1 . . . . . 20 ALA CB . 27917 1 268 . 1 . 1 20 20 ALA N N 15 118.294 0.2 . 1 . . . . . 20 ALA N . 27917 1 269 . 1 . 1 21 21 ARG H H 1 8.065 0.04 . 1 . . . . . 21 ARG H . 27917 1 270 . 1 . 1 21 21 ARG HA H 1 4.014 0.04 . 1 . . . . . 21 ARG HA . 27917 1 271 . 1 . 1 21 21 ARG HB2 H 1 1.940 0.04 . 1 . . . . . 21 ARG HB2 . 27917 1 272 . 1 . 1 21 21 ARG HB3 H 1 1.940 0.04 . 1 . . . . . 21 ARG HB3 . 27917 1 273 . 1 . 1 21 21 ARG HG2 H 1 1.619 0.04 . 2 . . . . . 21 ARG HG2 . 27917 1 274 . 1 . 1 21 21 ARG HG3 H 1 1.727 0.04 . 2 . . . . . 21 ARG HG3 . 27917 1 275 . 1 . 1 21 21 ARG HD2 H 1 3.126 0.04 . 2 . . . . . 21 ARG HD2 . 27917 1 276 . 1 . 1 21 21 ARG HD3 H 1 3.238 0.04 . 2 . . . . . 21 ARG HD3 . 27917 1 277 . 1 . 1 21 21 ARG C C 13 178.041 0.4 . 1 . . . . . 21 ARG C . 27917 1 278 . 1 . 1 21 21 ARG CA C 13 58.764 0.4 . 1 . . . . . 21 ARG CA . 27917 1 279 . 1 . 1 21 21 ARG CB C 13 29.555 0.4 . 1 . . . . . 21 ARG CB . 27917 1 280 . 1 . 1 21 21 ARG CG C 13 27.225 0.4 . 1 . . . . . 21 ARG CG . 27917 1 281 . 1 . 1 21 21 ARG CD C 13 43.746 0.4 . 1 . . . . . 21 ARG CD . 27917 1 282 . 1 . 1 21 21 ARG N N 15 120.611 0.2 . 1 . . . . . 21 ARG N . 27917 1 283 . 1 . 1 22 22 LEU H H 1 7.357 0.04 . 1 . . . . . 22 LEU H . 27917 1 284 . 1 . 1 22 22 LEU HA H 1 4.090 0.04 . 1 . . . . . 22 LEU HA . 27917 1 285 . 1 . 1 22 22 LEU HB2 H 1 1.291 0.04 . 2 . . . . . 22 LEU HB2 . 27917 1 286 . 1 . 1 22 22 LEU HB3 H 1 1.679 0.04 . 2 . . . . . 22 LEU HB3 . 27917 1 287 . 1 . 1 22 22 LEU HG H 1 1.317 0.04 . 1 . . . . . 22 LEU HG . 27917 1 288 . 1 . 1 22 22 LEU HD11 H 1 0.261 0.04 . 2 . . . . . 22 LEU HD1* . 27917 1 289 . 1 . 1 22 22 LEU HD12 H 1 0.261 0.04 . 2 . . . . . 22 LEU HD1* . 27917 1 290 . 1 . 1 22 22 LEU HD13 H 1 0.261 0.04 . 2 . . . . . 22 LEU HD1* . 27917 1 291 . 1 . 1 22 22 LEU HD21 H 1 0.419 0.04 . 2 . . . . . 22 LEU HD2* . 27917 1 292 . 1 . 1 22 22 LEU HD22 H 1 0.419 0.04 . 2 . . . . . 22 LEU HD2* . 27917 1 293 . 1 . 1 22 22 LEU HD23 H 1 0.419 0.04 . 2 . . . . . 22 LEU HD2* . 27917 1 294 . 1 . 1 22 22 LEU C C 13 176.644 0.4 . 1 . . . . . 22 LEU C . 27917 1 295 . 1 . 1 22 22 LEU CA C 13 54.506 0.4 . 1 . . . . . 22 LEU CA . 27917 1 296 . 1 . 1 22 22 LEU CB C 13 43.222 0.4 . 1 . . . . . 22 LEU CB . 27917 1 297 . 1 . 1 22 22 LEU CG C 13 26.093 0.4 . 1 . . . . . 22 LEU CG . 27917 1 298 . 1 . 1 22 22 LEU CD1 C 13 26.221 0.4 . 2 . . . . . 22 LEU CD1 . 27917 1 299 . 1 . 1 22 22 LEU CD2 C 13 22.983 0.4 . 2 . . . . . 22 LEU CD2 . 27917 1 300 . 1 . 1 22 22 LEU N N 15 116.727 0.2 . 1 . . . . . 22 LEU N . 27917 1 301 . 1 . 1 23 23 GLY H H 1 7.903 0.04 . 1 . . . . . 23 GLY H . 27917 1 302 . 1 . 1 23 23 GLY HA2 H 1 3.761 0.04 . 2 . . . . . 23 GLY HA2 . 27917 1 303 . 1 . 1 23 23 GLY HA3 H 1 3.922 0.04 . 2 . . . . . 23 GLY HA3 . 27917 1 304 . 1 . 1 23 23 GLY C C 13 174.954 0.4 . 1 . . . . . 23 GLY C . 27917 1 305 . 1 . 1 23 23 GLY CA C 13 46.071 0.4 . 1 . . . . . 23 GLY CA . 27917 1 306 . 1 . 1 23 23 GLY N N 15 108.170 0.2 . 1 . . . . . 23 GLY N . 27917 1 307 . 1 . 1 24 24 VAL H H 1 7.706 0.04 . 1 . . . . . 24 VAL H . 27917 1 308 . 1 . 1 24 24 VAL HA H 1 4.770 0.04 . 1 . . . . . 24 VAL HA . 27917 1 309 . 1 . 1 24 24 VAL HB H 1 2.295 0.04 . 1 . . . . . 24 VAL HB . 27917 1 310 . 1 . 1 24 24 VAL HG11 H 1 0.663 0.04 . 2 . . . . . 24 VAL HG1* . 27917 1 311 . 1 . 1 24 24 VAL HG12 H 1 0.663 0.04 . 2 . . . . . 24 VAL HG1* . 27917 1 312 . 1 . 1 24 24 VAL HG13 H 1 0.663 0.04 . 2 . . . . . 24 VAL HG1* . 27917 1 313 . 1 . 1 24 24 VAL HG21 H 1 0.729 0.04 . 2 . . . . . 24 VAL HG2* . 27917 1 314 . 1 . 1 24 24 VAL HG22 H 1 0.729 0.04 . 2 . . . . . 24 VAL HG2* . 27917 1 315 . 1 . 1 24 24 VAL HG23 H 1 0.729 0.04 . 2 . . . . . 24 VAL HG2* . 27917 1 316 . 1 . 1 24 24 VAL C C 13 174.343 0.4 . 1 . . . . . 24 VAL C . 27917 1 317 . 1 . 1 24 24 VAL CA C 13 57.549 0.4 . 1 . . . . . 24 VAL CA . 27917 1 318 . 1 . 1 24 24 VAL CB C 13 35.658 0.4 . 1 . . . . . 24 VAL CB . 27917 1 319 . 1 . 1 24 24 VAL CG1 C 13 21.314 0.4 . 2 . . . . . 24 VAL CG1 . 27917 1 320 . 1 . 1 24 24 VAL CG2 C 13 18.552 0.4 . 2 . . . . . 24 VAL CG2 . 27917 1 321 . 1 . 1 24 24 VAL N N 15 110.541 0.2 . 1 . . . . . 24 VAL N . 27917 1 322 . 1 . 1 25 25 SER H H 1 8.475 0.04 . 1 . . . . . 25 SER H . 27917 1 323 . 1 . 1 25 25 SER HA H 1 4.739 0.04 . 1 . . . . . 25 SER HA . 27917 1 324 . 1 . 1 25 25 SER HB2 H 1 4.331 0.04 . 1 . . . . . 25 SER HB2 . 27917 1 325 . 1 . 1 25 25 SER HB3 H 1 4.331 0.04 . 1 . . . . . 25 SER HB3 . 27917 1 326 . 1 . 1 25 25 SER C C 13 174.326 0.4 . 1 . . . . . 25 SER C . 27917 1 327 . 1 . 1 25 25 SER CA C 13 56.000 0.4 . 1 . . . . . 25 SER CA . 27917 1 328 . 1 . 1 25 25 SER CB C 13 63.284 0.4 . 1 . . . . . 25 SER CB . 27917 1 329 . 1 . 1 25 25 SER N N 15 116.989 0.2 . 1 . . . . . 25 SER N . 27917 1 330 . 1 . 1 26 26 PRO HA H 1 4.077 0.04 . 1 . . . . . 26 PRO HA . 27917 1 331 . 1 . 1 26 26 PRO HB2 H 1 1.986 0.04 . 2 . . . . . 26 PRO HB2 . 27917 1 332 . 1 . 1 26 26 PRO HB3 H 1 2.358 0.04 . 2 . . . . . 26 PRO HB3 . 27917 1 333 . 1 . 1 26 26 PRO HG2 H 1 1.878 0.04 . 2 . . . . . 26 PRO HG2 . 27917 1 334 . 1 . 1 26 26 PRO HG3 H 1 2.268 0.04 . 2 . . . . . 26 PRO HG3 . 27917 1 335 . 1 . 1 26 26 PRO HD2 H 1 3.882 0.04 . 2 . . . . . 26 PRO HD2 . 27917 1 336 . 1 . 1 26 26 PRO HD3 H 1 3.931 0.04 . 2 . . . . . 26 PRO HD3 . 27917 1 337 . 1 . 1 26 26 PRO C C 13 179.363 0.4 . 1 . . . . . 26 PRO C . 27917 1 338 . 1 . 1 26 26 PRO CA C 13 66.002 0.4 . 1 . . . . . 26 PRO CA . 27917 1 339 . 1 . 1 26 26 PRO CB C 13 31.693 0.4 . 1 . . . . . 26 PRO CB . 27917 1 340 . 1 . 1 26 26 PRO CG C 13 28.674 0.4 . 1 . . . . . 26 PRO CG . 27917 1 341 . 1 . 1 26 26 PRO CD C 13 50.236 0.4 . 1 . . . . . 26 PRO CD . 27917 1 342 . 1 . 1 27 27 SER H H 1 8.231 0.04 . 1 . . . . . 27 SER H . 27917 1 343 . 1 . 1 27 27 SER HA H 1 4.191 0.04 . 1 . . . . . 27 SER HA . 27917 1 344 . 1 . 1 27 27 SER HB2 H 1 3.865 0.04 . 1 . . . . . 27 SER HB2 . 27917 1 345 . 1 . 1 27 27 SER HB3 H 1 3.865 0.04 . 1 . . . . . 27 SER HB3 . 27917 1 346 . 1 . 1 27 27 SER C C 13 176.588 0.4 . 1 . . . . . 27 SER C . 27917 1 347 . 1 . 1 27 27 SER CA C 13 61.232 0.4 . 1 . . . . . 27 SER CA . 27917 1 348 . 1 . 1 27 27 SER CB C 13 62.402 0.4 . 1 . . . . . 27 SER CB . 27917 1 349 . 1 . 1 27 27 SER N N 15 112.401 0.2 . 1 . . . . . 27 SER N . 27917 1 350 . 1 . 1 28 28 TYR H H 1 8.178 0.04 . 1 . . . . . 28 TYR H . 27917 1 351 . 1 . 1 28 28 TYR HA H 1 4.171 0.04 . 1 . . . . . 28 TYR HA . 27917 1 352 . 1 . 1 28 28 TYR HB2 H 1 3.002 0.04 . 2 . . . . . 28 TYR HB2 . 27917 1 353 . 1 . 1 28 28 TYR HB3 H 1 3.118 0.04 . 2 . . . . . 28 TYR HB3 . 27917 1 354 . 1 . 1 28 28 TYR HD1 H 1 6.976 0.04 . 3 . . . . . 28 TYR HD* . 27917 1 355 . 1 . 1 28 28 TYR HD2 H 1 6.976 0.04 . 3 . . . . . 28 TYR HD* . 27917 1 356 . 1 . 1 28 28 TYR HE1 H 1 6.800 0.04 . 3 . . . . . 28 TYR HE* . 27917 1 357 . 1 . 1 28 28 TYR HE2 H 1 6.800 0.04 . 3 . . . . . 28 TYR HE* . 27917 1 358 . 1 . 1 28 28 TYR C C 13 178.313 0.4 . 1 . . . . . 28 TYR C . 27917 1 359 . 1 . 1 28 28 TYR CA C 13 61.177 0.4 . 1 . . . . . 28 TYR CA . 27917 1 360 . 1 . 1 28 28 TYR CB C 13 38.804 0.4 . 1 . . . . . 28 TYR CB . 27917 1 361 . 1 . 1 28 28 TYR CD1 C 13 132.784 0.4 . 3 . . . . . 28 TYR CD* . 27917 1 362 . 1 . 1 28 28 TYR CD2 C 13 132.784 0.4 . 3 . . . . . 28 TYR CD* . 27917 1 363 . 1 . 1 28 28 TYR CE1 C 13 118.314 0.4 . 3 . . . . . 28 TYR CE* . 27917 1 364 . 1 . 1 28 28 TYR CE2 C 13 118.314 0.4 . 3 . . . . . 28 TYR CE* . 27917 1 365 . 1 . 1 28 28 TYR N N 15 126.498 0.2 . 1 . . . . . 28 TYR N . 27917 1 366 . 1 . 1 29 29 LEU H H 1 8.396 0.04 . 1 . . . . . 29 LEU H . 27917 1 367 . 1 . 1 29 29 LEU HA H 1 3.985 0.04 . 1 . . . . . 29 LEU HA . 27917 1 368 . 1 . 1 29 29 LEU HB2 H 1 1.357 0.04 . 2 . . . . . 29 LEU HB2 . 27917 1 369 . 1 . 1 29 29 LEU HB3 H 1 2.111 0.04 . 2 . . . . . 29 LEU HB3 . 27917 1 370 . 1 . 1 29 29 LEU HG H 1 1.648 0.04 . 1 . . . . . 29 LEU HG . 27917 1 371 . 1 . 1 29 29 LEU HD11 H 1 0.895 0.04 . 2 . . . . . 29 LEU HD1* . 27917 1 372 . 1 . 1 29 29 LEU HD12 H 1 0.895 0.04 . 2 . . . . . 29 LEU HD1* . 27917 1 373 . 1 . 1 29 29 LEU HD13 H 1 0.895 0.04 . 2 . . . . . 29 LEU HD1* . 27917 1 374 . 1 . 1 29 29 LEU HD21 H 1 0.966 0.04 . 2 . . . . . 29 LEU HD2* . 27917 1 375 . 1 . 1 29 29 LEU HD22 H 1 0.966 0.04 . 2 . . . . . 29 LEU HD2* . 27917 1 376 . 1 . 1 29 29 LEU HD23 H 1 0.966 0.04 . 2 . . . . . 29 LEU HD2* . 27917 1 377 . 1 . 1 29 29 LEU C C 13 178.488 0.4 . 1 . . . . . 29 LEU C . 27917 1 378 . 1 . 1 29 29 LEU CA C 13 58.400 0.4 . 1 . . . . . 29 LEU CA . 27917 1 379 . 1 . 1 29 29 LEU CB C 13 41.106 0.4 . 1 . . . . . 29 LEU CB . 27917 1 380 . 1 . 1 29 29 LEU CG C 13 26.880 0.4 . 1 . . . . . 29 LEU CG . 27917 1 381 . 1 . 1 29 29 LEU CD1 C 13 23.963 0.4 . 2 . . . . . 29 LEU CD1 . 27917 1 382 . 1 . 1 29 29 LEU CD2 C 13 26.345 0.4 . 2 . . . . . 29 LEU CD2 . 27917 1 383 . 1 . 1 29 29 LEU N N 15 119.711 0.2 . 1 . . . . . 29 LEU N . 27917 1 384 . 1 . 1 30 30 SER H H 1 7.975 0.04 . 1 . . . . . 30 SER H . 27917 1 385 . 1 . 1 30 30 SER HA H 1 4.052 0.04 . 1 . . . . . 30 SER HA . 27917 1 386 . 1 . 1 30 30 SER HB2 H 1 3.974 0.04 . 1 . . . . . 30 SER HB2 . 27917 1 387 . 1 . 1 30 30 SER HB3 H 1 3.974 0.04 . 1 . . . . . 30 SER HB3 . 27917 1 388 . 1 . 1 30 30 SER C C 13 177.430 0.4 . 1 . . . . . 30 SER C . 27917 1 389 . 1 . 1 30 30 SER CA C 13 61.886 0.4 . 1 . . . . . 30 SER CA . 27917 1 390 . 1 . 1 30 30 SER CB C 13 62.794 0.4 . 1 . . . . . 30 SER CB . 27917 1 391 . 1 . 1 30 30 SER N N 15 113.497 0.2 . 1 . . . . . 30 SER N . 27917 1 392 . 1 . 1 31 31 GLN H H 1 7.804 0.04 . 1 . . . . . 31 GLN H . 27917 1 393 . 1 . 1 31 31 GLN HA H 1 3.980 0.04 . 1 . . . . . 31 GLN HA . 27917 1 394 . 1 . 1 31 31 GLN HB2 H 1 1.816 0.04 . 2 . . . . . 31 GLN HB2 . 27917 1 395 . 1 . 1 31 31 GLN HB3 H 1 2.048 0.04 . 2 . . . . . 31 GLN HB3 . 27917 1 396 . 1 . 1 31 31 GLN HG2 H 1 2.184 0.04 . 2 . . . . . 31 GLN HG2 . 27917 1 397 . 1 . 1 31 31 GLN HG3 H 1 2.472 0.04 . 2 . . . . . 31 GLN HG3 . 27917 1 398 . 1 . 1 31 31 GLN HE21 H 1 6.770 0.04 . 2 . . . . . 31 GLN HE21 . 27917 1 399 . 1 . 1 31 31 GLN HE22 H 1 7.149 0.04 . 2 . . . . . 31 GLN HE22 . 27917 1 400 . 1 . 1 31 31 GLN C C 13 179.333 0.4 . 1 . . . . . 31 GLN C . 27917 1 401 . 1 . 1 31 31 GLN CA C 13 59.070 0.4 . 1 . . . . . 31 GLN CA . 27917 1 402 . 1 . 1 31 31 GLN CB C 13 28.055 0.4 . 1 . . . . . 31 GLN CB . 27917 1 403 . 1 . 1 31 31 GLN CG C 13 34.016 0.4 . 1 . . . . . 31 GLN CG . 27917 1 404 . 1 . 1 31 31 GLN N N 15 122.083 0.2 . 1 . . . . . 31 GLN N . 27917 1 405 . 1 . 1 31 31 GLN NE2 N 15 110.968 0.2 . 1 . . . . . 31 GLN NE2 . 27917 1 406 . 1 . 1 32 32 MET H H 1 8.161 0.04 . 1 . . . . . 32 MET H . 27917 1 407 . 1 . 1 32 32 MET HA H 1 3.980 0.04 . 1 . . . . . 32 MET HA . 27917 1 408 . 1 . 1 32 32 MET HB2 H 1 1.674 0.04 . 1 . . . . . 32 MET HB2 . 27917 1 409 . 1 . 1 32 32 MET HB3 H 1 1.674 0.04 . 1 . . . . . 32 MET HB3 . 27917 1 410 . 1 . 1 32 32 MET HG2 H 1 1.987 0.04 . 2 . . . . . 32 MET HG2 . 27917 1 411 . 1 . 1 32 32 MET HG3 H 1 2.181 0.04 . 2 . . . . . 32 MET HG3 . 27917 1 412 . 1 . 1 32 32 MET HE1 H 1 1.841 0.04 . 1 . . . . . 32 MET HE* . 27917 1 413 . 1 . 1 32 32 MET HE2 H 1 1.841 0.04 . 1 . . . . . 32 MET HE* . 27917 1 414 . 1 . 1 32 32 MET HE3 H 1 1.841 0.04 . 1 . . . . . 32 MET HE* . 27917 1 415 . 1 . 1 32 32 MET C C 13 179.263 0.4 . 1 . . . . . 32 MET C . 27917 1 416 . 1 . 1 32 32 MET CA C 13 59.369 0.4 . 1 . . . . . 32 MET CA . 27917 1 417 . 1 . 1 32 32 MET CB C 13 33.854 0.4 . 1 . . . . . 32 MET CB . 27917 1 418 . 1 . 1 32 32 MET CG C 13 31.795 0.4 . 1 . . . . . 32 MET CG . 27917 1 419 . 1 . 1 32 32 MET CE C 13 16.597 0.4 . 1 . . . . . 32 MET CE . 27917 1 420 . 1 . 1 32 32 MET N N 15 119.721 0.2 . 1 . . . . . 32 MET N . 27917 1 421 . 1 . 1 33 33 ALA H H 1 8.420 0.04 . 1 . . . . . 33 ALA H . 27917 1 422 . 1 . 1 33 33 ALA HA H 1 3.916 0.04 . 1 . . . . . 33 ALA HA . 27917 1 423 . 1 . 1 33 33 ALA HB1 H 1 1.349 0.04 . 1 . . . . . 33 ALA HB* . 27917 1 424 . 1 . 1 33 33 ALA HB2 H 1 1.349 0.04 . 1 . . . . . 33 ALA HB* . 27917 1 425 . 1 . 1 33 33 ALA HB3 H 1 1.349 0.04 . 1 . . . . . 33 ALA HB* . 27917 1 426 . 1 . 1 33 33 ALA C C 13 177.913 0.4 . 1 . . . . . 33 ALA C . 27917 1 427 . 1 . 1 33 33 ALA CA C 13 54.566 0.4 . 1 . . . . . 33 ALA CA . 27917 1 428 . 1 . 1 33 33 ALA CB C 13 18.591 0.4 . 1 . . . . . 33 ALA CB . 27917 1 429 . 1 . 1 33 33 ALA N N 15 121.067 0.2 . 1 . . . . . 33 ALA N . 27917 1 430 . 1 . 1 34 34 SER H H 1 7.854 0.04 . 1 . . . . . 34 SER H . 27917 1 431 . 1 . 1 34 34 SER HA H 1 4.394 0.04 . 1 . . . . . 34 SER HA . 27917 1 432 . 1 . 1 34 34 SER HB2 H 1 3.990 0.04 . 1 . . . . . 34 SER HB2 . 27917 1 433 . 1 . 1 34 34 SER HB3 H 1 3.990 0.04 . 1 . . . . . 34 SER HB3 . 27917 1 434 . 1 . 1 34 34 SER C C 13 175.095 0.4 . 1 . . . . . 34 SER C . 27917 1 435 . 1 . 1 34 34 SER CA C 13 59.101 0.4 . 1 . . . . . 34 SER CA . 27917 1 436 . 1 . 1 34 34 SER CB C 13 64.235 0.4 . 1 . . . . . 34 SER CB . 27917 1 437 . 1 . 1 34 34 SER N N 15 110.740 0.2 . 1 . . . . . 34 SER N . 27917 1 438 . 1 . 1 35 35 GLY H H 1 7.479 0.04 . 1 . . . . . 35 GLY H . 27917 1 439 . 1 . 1 35 35 GLY HA2 H 1 4.074 0.04 . 2 . . . . . 35 GLY HA2 . 27917 1 440 . 1 . 1 35 35 GLY HA3 H 1 4.203 0.04 . 2 . . . . . 35 GLY HA3 . 27917 1 441 . 1 . 1 35 35 GLY C C 13 174.866 0.4 . 1 . . . . . 35 GLY C . 27917 1 442 . 1 . 1 35 35 GLY CA C 13 45.891 0.4 . 1 . . . . . 35 GLY CA . 27917 1 443 . 1 . 1 35 35 GLY N N 15 109.013 0.2 . 1 . . . . . 35 GLY N . 27917 1 444 . 1 . 1 36 36 ARG H H 1 7.973 0.04 . 1 . . . . . 36 ARG H . 27917 1 445 . 1 . 1 36 36 ARG HA H 1 4.199 0.04 . 1 . . . . . 36 ARG HA . 27917 1 446 . 1 . 1 36 36 ARG HB2 H 1 1.555 0.04 . 2 . . . . . 36 ARG HB2 . 27917 1 447 . 1 . 1 36 36 ARG HB3 H 1 1.919 0.04 . 2 . . . . . 36 ARG HB3 . 27917 1 448 . 1 . 1 36 36 ARG HG2 H 1 1.536 0.04 . 2 . . . . . 36 ARG HG2 . 27917 1 449 . 1 . 1 36 36 ARG HG3 H 1 1.612 0.04 . 2 . . . . . 36 ARG HG3 . 27917 1 450 . 1 . 1 36 36 ARG HD2 H 1 3.137 0.04 . 1 . . . . . 36 ARG HD2 . 27917 1 451 . 1 . 1 36 36 ARG HD3 H 1 3.137 0.04 . 1 . . . . . 36 ARG HD3 . 27917 1 452 . 1 . 1 36 36 ARG C C 13 175.695 0.4 . 1 . . . . . 36 ARG C . 27917 1 453 . 1 . 1 36 36 ARG CA C 13 56.919 0.4 . 1 . . . . . 36 ARG CA . 27917 1 454 . 1 . 1 36 36 ARG CB C 13 30.851 0.4 . 1 . . . . . 36 ARG CB . 27917 1 455 . 1 . 1 36 36 ARG CG C 13 27.490 0.4 . 1 . . . . . 36 ARG CG . 27917 1 456 . 1 . 1 36 36 ARG CD C 13 43.073 0.4 . 1 . . . . . 36 ARG CD . 27917 1 457 . 1 . 1 36 36 ARG N N 15 118.603 0.2 . 1 . . . . . 36 ARG N . 27917 1 458 . 1 . 1 37 37 THR H H 1 7.209 0.04 . 1 . . . . . 37 THR H . 27917 1 459 . 1 . 1 37 37 THR HA H 1 4.410 0.04 . 1 . . . . . 37 THR HA . 27917 1 460 . 1 . 1 37 37 THR HB H 1 3.641 0.04 . 1 . . . . . 37 THR HB . 27917 1 461 . 1 . 1 37 37 THR HG21 H 1 0.835 0.04 . 1 . . . . . 37 THR HG2* . 27917 1 462 . 1 . 1 37 37 THR HG22 H 1 0.835 0.04 . 1 . . . . . 37 THR HG2* . 27917 1 463 . 1 . 1 37 37 THR HG23 H 1 0.835 0.04 . 1 . . . . . 37 THR HG2* . 27917 1 464 . 1 . 1 37 37 THR C C 13 172.562 0.4 . 1 . . . . . 37 THR C . 27917 1 465 . 1 . 1 37 37 THR CA C 13 60.495 0.4 . 1 . . . . . 37 THR CA . 27917 1 466 . 1 . 1 37 37 THR CB C 13 70.723 0.4 . 1 . . . . . 37 THR CB . 27917 1 467 . 1 . 1 37 37 THR CG2 C 13 20.422 0.4 . 1 . . . . . 37 THR CG2 . 27917 1 468 . 1 . 1 37 37 THR N N 15 112.882 0.2 . 1 . . . . . 37 THR N . 27917 1 469 . 1 . 1 38 38 ALA H H 1 8.348 0.04 . 1 . . . . . 38 ALA H . 27917 1 470 . 1 . 1 38 38 ALA HA H 1 4.206 0.04 . 1 . . . . . 38 ALA HA . 27917 1 471 . 1 . 1 38 38 ALA HB1 H 1 1.311 0.04 . 1 . . . . . 38 ALA HB* . 27917 1 472 . 1 . 1 38 38 ALA HB2 H 1 1.311 0.04 . 1 . . . . . 38 ALA HB* . 27917 1 473 . 1 . 1 38 38 ALA HB3 H 1 1.311 0.04 . 1 . . . . . 38 ALA HB* . 27917 1 474 . 1 . 1 38 38 ALA C C 13 177.172 0.4 . 1 . . . . . 38 ALA C . 27917 1 475 . 1 . 1 38 38 ALA CA C 13 52.555 0.4 . 1 . . . . . 38 ALA CA . 27917 1 476 . 1 . 1 38 38 ALA CB C 13 19.297 0.4 . 1 . . . . . 38 ALA CB . 27917 1 477 . 1 . 1 38 38 ALA N N 15 127.968 0.2 . 1 . . . . . 38 ALA N . 27917 1 478 . 1 . 1 39 39 ILE H H 1 8.634 0.04 . 1 . . . . . 39 ILE H . 27917 1 479 . 1 . 1 39 39 ILE HA H 1 4.052 0.04 . 1 . . . . . 39 ILE HA . 27917 1 480 . 1 . 1 39 39 ILE HB H 1 1.833 0.04 . 1 . . . . . 39 ILE HB . 27917 1 481 . 1 . 1 39 39 ILE HG12 H 1 1.748 0.04 . 1 . . . . . 39 ILE HG12 . 27917 1 482 . 1 . 1 39 39 ILE HG13 H 1 1.748 0.04 . 1 . . . . . 39 ILE HG13 . 27917 1 483 . 1 . 1 39 39 ILE HG21 H 1 0.880 0.04 . 1 . . . . . 39 ILE HG2* . 27917 1 484 . 1 . 1 39 39 ILE HG22 H 1 0.880 0.04 . 1 . . . . . 39 ILE HG2* . 27917 1 485 . 1 . 1 39 39 ILE HG23 H 1 0.880 0.04 . 1 . . . . . 39 ILE HG2* . 27917 1 486 . 1 . 1 39 39 ILE HD11 H 1 0.875 0.04 . 1 . . . . . 39 ILE HD1* . 27917 1 487 . 1 . 1 39 39 ILE HD12 H 1 0.875 0.04 . 1 . . . . . 39 ILE HD1* . 27917 1 488 . 1 . 1 39 39 ILE HD13 H 1 0.875 0.04 . 1 . . . . . 39 ILE HD1* . 27917 1 489 . 1 . 1 39 39 ILE C C 13 175.130 0.4 . 1 . . . . . 39 ILE C . 27917 1 490 . 1 . 1 39 39 ILE CA C 13 60.694 0.4 . 1 . . . . . 39 ILE CA . 27917 1 491 . 1 . 1 39 39 ILE CB C 13 38.495 0.4 . 1 . . . . . 39 ILE CB . 27917 1 492 . 1 . 1 39 39 ILE CG1 C 13 27.489 0.4 . 1 . . . . . 39 ILE CG1 . 27917 1 493 . 1 . 1 39 39 ILE CG2 C 13 17.526 0.4 . 1 . . . . . 39 ILE CG2 . 27917 1 494 . 1 . 1 39 39 ILE CD1 C 13 14.225 0.4 . 1 . . . . . 39 ILE CD1 . 27917 1 495 . 1 . 1 39 39 ILE N N 15 123.576 0.2 . 1 . . . . . 39 ILE N . 27917 1 496 . 1 . 1 40 40 SER H H 1 8.669 0.04 . 1 . . . . . 40 SER H . 27917 1 497 . 1 . 1 40 40 SER HA H 1 4.572 0.04 . 1 . . . . . 40 SER HA . 27917 1 498 . 1 . 1 40 40 SER HB2 H 1 4.064 0.04 . 2 . . . . . 40 SER HB2 . 27917 1 499 . 1 . 1 40 40 SER HB3 H 1 4.372 0.04 . 2 . . . . . 40 SER HB3 . 27917 1 500 . 1 . 1 40 40 SER C C 13 172.470 0.4 . 1 . . . . . 40 SER C . 27917 1 501 . 1 . 1 40 40 SER CA C 13 57.133 0.4 . 1 . . . . . 40 SER CA . 27917 1 502 . 1 . 1 40 40 SER CB C 13 62.532 0.4 . 1 . . . . . 40 SER CB . 27917 1 503 . 1 . 1 40 40 SER N N 15 124.812 0.2 . 1 . . . . . 40 SER N . 27917 1 504 . 1 . 1 41 41 PRO HA H 1 4.291 0.04 . 1 . . . . . 41 PRO HA . 27917 1 505 . 1 . 1 41 41 PRO HB2 H 1 2.023 0.04 . 1 . . . . . 41 PRO HB2 . 27917 1 506 . 1 . 1 41 41 PRO HB3 H 1 2.023 0.04 . 1 . . . . . 41 PRO HB3 . 27917 1 507 . 1 . 1 41 41 PRO C C 13 178.201 0.4 . 1 . . . . . 41 PRO C . 27917 1 508 . 1 . 1 41 41 PRO CA C 13 66.887 0.4 . 1 . . . . . 41 PRO CA . 27917 1 509 . 1 . 1 41 41 PRO CB C 13 31.904 0.4 . 1 . . . . . 41 PRO CB . 27917 1 510 . 1 . 1 42 42 THR H H 1 7.921 0.04 . 1 . . . . . 42 THR H . 27917 1 511 . 1 . 1 42 42 THR HA H 1 3.992 0.04 . 1 . . . . . 42 THR HA . 27917 1 512 . 1 . 1 42 42 THR HB H 1 4.008 0.04 . 1 . . . . . 42 THR HB . 27917 1 513 . 1 . 1 42 42 THR HG21 H 1 1.220 0.04 . 1 . . . . . 42 THR HG2* . 27917 1 514 . 1 . 1 42 42 THR HG22 H 1 1.220 0.04 . 1 . . . . . 42 THR HG2* . 27917 1 515 . 1 . 1 42 42 THR HG23 H 1 1.220 0.04 . 1 . . . . . 42 THR HG2* . 27917 1 516 . 1 . 1 42 42 THR C C 13 177.219 0.4 . 1 . . . . . 42 THR C . 27917 1 517 . 1 . 1 42 42 THR CA C 13 66.456 0.4 . 1 . . . . . 42 THR CA . 27917 1 518 . 1 . 1 42 42 THR CB C 13 68.719 0.4 . 1 . . . . . 42 THR CB . 27917 1 519 . 1 . 1 42 42 THR CG2 C 13 21.901 0.4 . 1 . . . . . 42 THR CG2 . 27917 1 520 . 1 . 1 42 42 THR N N 15 109.699 0.2 . 1 . . . . . 42 THR N . 27917 1 521 . 1 . 1 43 43 ARG H H 1 7.871 0.04 . 1 . . . . . 43 ARG H . 27917 1 522 . 1 . 1 43 43 ARG HA H 1 4.010 0.04 . 1 . . . . . 43 ARG HA . 27917 1 523 . 1 . 1 43 43 ARG HB2 H 1 1.856 0.04 . 2 . . . . . 43 ARG HB2 . 27917 1 524 . 1 . 1 43 43 ARG HB3 H 1 2.012 0.04 . 2 . . . . . 43 ARG HB3 . 27917 1 525 . 1 . 1 43 43 ARG HG2 H 1 1.762 0.04 . 1 . . . . . 43 ARG HG2 . 27917 1 526 . 1 . 1 43 43 ARG HG3 H 1 1.762 0.04 . 1 . . . . . 43 ARG HG3 . 27917 1 527 . 1 . 1 43 43 ARG HD2 H 1 3.181 0.04 . 1 . . . . . 43 ARG HD2 . 27917 1 528 . 1 . 1 43 43 ARG HD3 H 1 3.181 0.04 . 1 . . . . . 43 ARG HD3 . 27917 1 529 . 1 . 1 43 43 ARG C C 13 178.219 0.4 . 1 . . . . . 43 ARG C . 27917 1 530 . 1 . 1 43 43 ARG CA C 13 58.780 0.4 . 1 . . . . . 43 ARG CA . 27917 1 531 . 1 . 1 43 43 ARG CB C 13 28.948 0.4 . 1 . . . . . 43 ARG CB . 27917 1 532 . 1 . 1 43 43 ARG CG C 13 27.498 0.4 . 1 . . . . . 43 ARG CG . 27917 1 533 . 1 . 1 43 43 ARG CD C 13 42.887 0.4 . 1 . . . . . 43 ARG CD . 27917 1 534 . 1 . 1 43 43 ARG N N 15 123.644 0.2 . 1 . . . . . 43 ARG N . 27917 1 535 . 1 . 1 44 44 ALA H H 1 9.097 0.04 . 1 . . . . . 44 ALA H . 27917 1 536 . 1 . 1 44 44 ALA HA H 1 3.914 0.04 . 1 . . . . . 44 ALA HA . 27917 1 537 . 1 . 1 44 44 ALA HB1 H 1 1.532 0.04 . 1 . . . . . 44 ALA HB* . 27917 1 538 . 1 . 1 44 44 ALA HB2 H 1 1.532 0.04 . 1 . . . . . 44 ALA HB* . 27917 1 539 . 1 . 1 44 44 ALA HB3 H 1 1.532 0.04 . 1 . . . . . 44 ALA HB* . 27917 1 540 . 1 . 1 44 44 ALA C C 13 178.926 0.4 . 1 . . . . . 44 ALA C . 27917 1 541 . 1 . 1 44 44 ALA CA C 13 54.666 0.4 . 1 . . . . . 44 ALA CA . 27917 1 542 . 1 . 1 44 44 ALA CB C 13 17.923 0.4 . 1 . . . . . 44 ALA CB . 27917 1 543 . 1 . 1 44 44 ALA N N 15 121.715 0.2 . 1 . . . . . 44 ALA N . 27917 1 544 . 1 . 1 45 45 LEU H H 1 7.633 0.04 . 1 . . . . . 45 LEU H . 27917 1 545 . 1 . 1 45 45 LEU HA H 1 3.694 0.04 . 1 . . . . . 45 LEU HA . 27917 1 546 . 1 . 1 45 45 LEU HB2 H 1 1.442 0.04 . 2 . . . . . 45 LEU HB2 . 27917 1 547 . 1 . 1 45 45 LEU HB3 H 1 1.870 0.04 . 2 . . . . . 45 LEU HB3 . 27917 1 548 . 1 . 1 45 45 LEU HG H 1 1.909 0.04 . 1 . . . . . 45 LEU HG . 27917 1 549 . 1 . 1 45 45 LEU HD11 H 1 0.236 0.04 . 2 . . . . . 45 LEU HD1* . 27917 1 550 . 1 . 1 45 45 LEU HD12 H 1 0.236 0.04 . 2 . . . . . 45 LEU HD1* . 27917 1 551 . 1 . 1 45 45 LEU HD13 H 1 0.236 0.04 . 2 . . . . . 45 LEU HD1* . 27917 1 552 . 1 . 1 45 45 LEU HD21 H 1 0.877 0.04 . 2 . . . . . 45 LEU HD2* . 27917 1 553 . 1 . 1 45 45 LEU HD22 H 1 0.877 0.04 . 2 . . . . . 45 LEU HD2* . 27917 1 554 . 1 . 1 45 45 LEU HD23 H 1 0.877 0.04 . 2 . . . . . 45 LEU HD2* . 27917 1 555 . 1 . 1 45 45 LEU C C 13 180.019 0.4 . 1 . . . . . 45 LEU C . 27917 1 556 . 1 . 1 45 45 LEU CA C 13 57.686 0.4 . 1 . . . . . 45 LEU CA . 27917 1 557 . 1 . 1 45 45 LEU CB C 13 40.829 0.4 . 1 . . . . . 45 LEU CB . 27917 1 558 . 1 . 1 45 45 LEU CG C 13 26.364 0.4 . 1 . . . . . 45 LEU CG . 27917 1 559 . 1 . 1 45 45 LEU CD1 C 13 21.319 0.4 . 2 . . . . . 45 LEU CD1 . 27917 1 560 . 1 . 1 45 45 LEU CD2 C 13 25.402 0.4 . 2 . . . . . 45 LEU CD2 . 27917 1 561 . 1 . 1 45 45 LEU N N 15 116.214 0.2 . 1 . . . . . 45 LEU N . 27917 1 562 . 1 . 1 46 46 MET H H 1 7.614 0.04 . 1 . . . . . 46 MET H . 27917 1 563 . 1 . 1 46 46 MET HA H 1 4.069 0.04 . 1 . . . . . 46 MET HA . 27917 1 564 . 1 . 1 46 46 MET HB2 H 1 2.053 0.04 . 2 . . . . . 46 MET HB2 . 27917 1 565 . 1 . 1 46 46 MET HB3 H 1 2.204 0.04 . 2 . . . . . 46 MET HB3 . 27917 1 566 . 1 . 1 46 46 MET HG2 H 1 2.466 0.04 . 2 . . . . . 46 MET HG2 . 27917 1 567 . 1 . 1 46 46 MET HG3 H 1 2.738 0.04 . 2 . . . . . 46 MET HG3 . 27917 1 568 . 1 . 1 46 46 MET HE1 H 1 2.041 0.04 . 1 . . . . . 46 MET HE* . 27917 1 569 . 1 . 1 46 46 MET HE2 H 1 2.041 0.04 . 1 . . . . . 46 MET HE* . 27917 1 570 . 1 . 1 46 46 MET HE3 H 1 2.041 0.04 . 1 . . . . . 46 MET HE* . 27917 1 571 . 1 . 1 46 46 MET C C 13 179.010 0.4 . 1 . . . . . 46 MET C . 27917 1 572 . 1 . 1 46 46 MET CA C 13 58.986 0.4 . 1 . . . . . 46 MET CA . 27917 1 573 . 1 . 1 46 46 MET CB C 13 33.182 0.4 . 1 . . . . . 46 MET CB . 27917 1 574 . 1 . 1 46 46 MET CG C 13 31.928 0.4 . 1 . . . . . 46 MET CG . 27917 1 575 . 1 . 1 46 46 MET CE C 13 17.242 0.4 . 1 . . . . . 46 MET CE . 27917 1 576 . 1 . 1 46 46 MET N N 15 119.377 0.2 . 1 . . . . . 46 MET N . 27917 1 577 . 1 . 1 47 47 ILE H H 1 8.364 0.04 . 1 . . . . . 47 ILE H . 27917 1 578 . 1 . 1 47 47 ILE HA H 1 3.440 0.04 . 1 . . . . . 47 ILE HA . 27917 1 579 . 1 . 1 47 47 ILE HB H 1 1.792 0.04 . 1 . . . . . 47 ILE HB . 27917 1 580 . 1 . 1 47 47 ILE HG12 H 1 1.873 0.04 . 1 . . . . . 47 ILE HG12 . 27917 1 581 . 1 . 1 47 47 ILE HG13 H 1 1.873 0.04 . 1 . . . . . 47 ILE HG13 . 27917 1 582 . 1 . 1 47 47 ILE HG21 H 1 0.785 0.04 . 1 . . . . . 47 ILE HG2* . 27917 1 583 . 1 . 1 47 47 ILE HG22 H 1 0.785 0.04 . 1 . . . . . 47 ILE HG2* . 27917 1 584 . 1 . 1 47 47 ILE HG23 H 1 0.785 0.04 . 1 . . . . . 47 ILE HG2* . 27917 1 585 . 1 . 1 47 47 ILE HD11 H 1 0.793 0.04 . 1 . . . . . 47 ILE HD1* . 27917 1 586 . 1 . 1 47 47 ILE HD12 H 1 0.793 0.04 . 1 . . . . . 47 ILE HD1* . 27917 1 587 . 1 . 1 47 47 ILE HD13 H 1 0.793 0.04 . 1 . . . . . 47 ILE HD1* . 27917 1 588 . 1 . 1 47 47 ILE C C 13 177.612 0.4 . 1 . . . . . 47 ILE C . 27917 1 589 . 1 . 1 47 47 ILE CA C 13 66.012 0.4 . 1 . . . . . 47 ILE CA . 27917 1 590 . 1 . 1 47 47 ILE CB C 13 37.559 0.4 . 1 . . . . . 47 ILE CB . 27917 1 591 . 1 . 1 47 47 ILE CG1 C 13 30.932 0.4 . 1 . . . . . 47 ILE CG1 . 27917 1 592 . 1 . 1 47 47 ILE CG2 C 13 19.172 0.4 . 1 . . . . . 47 ILE CG2 . 27917 1 593 . 1 . 1 47 47 ILE CD1 C 13 14.233 0.4 . 1 . . . . . 47 ILE CD1 . 27917 1 594 . 1 . 1 47 47 ILE N N 15 121.047 0.2 . 1 . . . . . 47 ILE N . 27917 1 595 . 1 . 1 48 48 GLU H H 1 8.308 0.04 . 1 . . . . . 48 GLU H . 27917 1 596 . 1 . 1 48 48 GLU HA H 1 4.237 0.04 . 1 . . . . . 48 GLU HA . 27917 1 597 . 1 . 1 48 48 GLU HB2 H 1 1.870 0.04 . 1 . . . . . 48 GLU HB2 . 27917 1 598 . 1 . 1 48 48 GLU HB3 H 1 1.870 0.04 . 1 . . . . . 48 GLU HB3 . 27917 1 599 . 1 . 1 48 48 GLU C C 13 178.722 0.4 . 1 . . . . . 48 GLU C . 27917 1 600 . 1 . 1 48 48 GLU CA C 13 59.667 0.4 . 1 . . . . . 48 GLU CA . 27917 1 601 . 1 . 1 48 48 GLU CB C 13 30.722 0.4 . 1 . . . . . 48 GLU CB . 27917 1 602 . 1 . 1 48 48 GLU N N 15 123.394 0.2 . 1 . . . . . 48 GLU N . 27917 1 603 . 1 . 1 49 49 SER H H 1 7.896 0.04 . 1 . . . . . 49 SER H . 27917 1 604 . 1 . 1 49 49 SER HA H 1 4.185 0.04 . 1 . . . . . 49 SER HA . 27917 1 605 . 1 . 1 49 49 SER HB2 H 1 3.882 0.04 . 2 . . . . . 49 SER HB2 . 27917 1 606 . 1 . 1 49 49 SER HB3 H 1 3.906 0.04 . 2 . . . . . 49 SER HB3 . 27917 1 607 . 1 . 1 49 49 SER C C 13 178.783 0.4 . 1 . . . . . 49 SER C . 27917 1 608 . 1 . 1 49 49 SER CA C 13 61.350 0.4 . 1 . . . . . 49 SER CA . 27917 1 609 . 1 . 1 49 49 SER CB C 13 62.866 0.4 . 1 . . . . . 49 SER CB . 27917 1 610 . 1 . 1 49 49 SER N N 15 112.412 0.2 . 1 . . . . . 49 SER N . 27917 1 611 . 1 . 1 50 50 ALA H H 1 8.683 0.04 . 1 . . . . . 50 ALA H . 27917 1 612 . 1 . 1 50 50 ALA HA H 1 4.211 0.04 . 1 . . . . . 50 ALA HA . 27917 1 613 . 1 . 1 50 50 ALA HB1 H 1 1.430 0.04 . 1 . . . . . 50 ALA HB* . 27917 1 614 . 1 . 1 50 50 ALA HB2 H 1 1.430 0.04 . 1 . . . . . 50 ALA HB* . 27917 1 615 . 1 . 1 50 50 ALA HB3 H 1 1.430 0.04 . 1 . . . . . 50 ALA HB* . 27917 1 616 . 1 . 1 50 50 ALA C C 13 178.543 0.4 . 1 . . . . . 50 ALA C . 27917 1 617 . 1 . 1 50 50 ALA CA C 13 54.838 0.4 . 1 . . . . . 50 ALA CA . 27917 1 618 . 1 . 1 50 50 ALA CB C 13 18.975 0.4 . 1 . . . . . 50 ALA CB . 27917 1 619 . 1 . 1 50 50 ALA N N 15 124.183 0.2 . 1 . . . . . 50 ALA N . 27917 1 620 . 1 . 1 51 51 THR H H 1 7.743 0.04 . 1 . . . . . 51 THR H . 27917 1 621 . 1 . 1 51 51 THR HA H 1 4.129 0.04 . 1 . . . . . 51 THR HA . 27917 1 622 . 1 . 1 51 51 THR HB H 1 3.751 0.04 . 1 . . . . . 51 THR HB . 27917 1 623 . 1 . 1 51 51 THR HG21 H 1 0.317 0.04 . 1 . . . . . 51 THR HG2* . 27917 1 624 . 1 . 1 51 51 THR HG22 H 1 0.317 0.04 . 1 . . . . . 51 THR HG2* . 27917 1 625 . 1 . 1 51 51 THR HG23 H 1 0.317 0.04 . 1 . . . . . 51 THR HG2* . 27917 1 626 . 1 . 1 51 51 THR C C 13 175.352 0.4 . 1 . . . . . 51 THR C . 27917 1 627 . 1 . 1 51 51 THR CA C 13 61.122 0.4 . 1 . . . . . 51 THR CA . 27917 1 628 . 1 . 1 51 51 THR CB C 13 70.377 0.4 . 1 . . . . . 51 THR CB . 27917 1 629 . 1 . 1 51 51 THR CG2 C 13 20.585 0.4 . 1 . . . . . 51 THR CG2 . 27917 1 630 . 1 . 1 51 51 THR N N 15 104.640 0.2 . 1 . . . . . 51 THR N . 27917 1 631 . 1 . 1 52 52 GLU H H 1 8.121 0.04 . 1 . . . . . 52 GLU H . 27917 1 632 . 1 . 1 52 52 GLU HA H 1 3.916 0.04 . 1 . . . . . 52 GLU HA . 27917 1 633 . 1 . 1 52 52 GLU HB2 H 1 2.163 0.04 . 2 . . . . . 52 GLU HB2 . 27917 1 634 . 1 . 1 52 52 GLU HB3 H 1 2.203 0.04 . 2 . . . . . 52 GLU HB3 . 27917 1 635 . 1 . 1 52 52 GLU HG2 H 1 2.167 0.04 . 1 . . . . . 52 GLU HG2 . 27917 1 636 . 1 . 1 52 52 GLU HG3 H 1 2.167 0.04 . 1 . . . . . 52 GLU HG3 . 27917 1 637 . 1 . 1 52 52 GLU C C 13 176.416 0.4 . 1 . . . . . 52 GLU C . 27917 1 638 . 1 . 1 52 52 GLU CA C 13 57.143 0.4 . 1 . . . . . 52 GLU CA . 27917 1 639 . 1 . 1 52 52 GLU CB C 13 26.902 0.4 . 1 . . . . . 52 GLU CB . 27917 1 640 . 1 . 1 52 52 GLU CG C 13 36.502 0.4 . 1 . . . . . 52 GLU CG . 27917 1 641 . 1 . 1 52 52 GLU N N 15 120.836 0.2 . 1 . . . . . 52 GLU N . 27917 1 642 . 1 . 1 53 53 GLY H H 1 8.597 0.04 . 1 . . . . . 53 GLY H . 27917 1 643 . 1 . 1 53 53 GLY HA2 H 1 3.110 0.04 . 2 . . . . . 53 GLY HA2 . 27917 1 644 . 1 . 1 53 53 GLY HA3 H 1 4.016 0.04 . 2 . . . . . 53 GLY HA3 . 27917 1 645 . 1 . 1 53 53 GLY C C 13 174.606 0.4 . 1 . . . . . 53 GLY C . 27917 1 646 . 1 . 1 53 53 GLY CA C 13 44.885 0.4 . 1 . . . . . 53 GLY CA . 27917 1 647 . 1 . 1 53 53 GLY N N 15 104.159 0.2 . 1 . . . . . 53 GLY N . 27917 1 648 . 1 . 1 54 54 GLN H H 1 7.647 0.04 . 1 . . . . . 54 GLN H . 27917 1 649 . 1 . 1 54 54 GLN HA H 1 3.898 0.04 . 1 . . . . . 54 GLN HA . 27917 1 650 . 1 . 1 54 54 GLN HB2 H 1 1.801 0.04 . 2 . . . . . 54 GLN HB2 . 27917 1 651 . 1 . 1 54 54 GLN HB3 H 1 2.133 0.04 . 2 . . . . . 54 GLN HB3 . 27917 1 652 . 1 . 1 54 54 GLN HG2 H 1 2.241 0.04 . 2 . . . . . 54 GLN HG2 . 27917 1 653 . 1 . 1 54 54 GLN HG3 H 1 2.592 0.04 . 2 . . . . . 54 GLN HG3 . 27917 1 654 . 1 . 1 54 54 GLN HE21 H 1 6.842 0.04 . 2 . . . . . 54 GLN HE21 . 27917 1 655 . 1 . 1 54 54 GLN HE22 H 1 7.367 0.04 . 2 . . . . . 54 GLN HE22 . 27917 1 656 . 1 . 1 54 54 GLN C C 13 175.465 0.4 . 1 . . . . . 54 GLN C . 27917 1 657 . 1 . 1 54 54 GLN CA C 13 58.842 0.4 . 1 . . . . . 54 GLN CA . 27917 1 658 . 1 . 1 54 54 GLN CB C 13 29.909 0.4 . 1 . . . . . 54 GLN CB . 27917 1 659 . 1 . 1 54 54 GLN CG C 13 35.318 0.4 . 1 . . . . . 54 GLN CG . 27917 1 660 . 1 . 1 54 54 GLN N N 15 119.596 0.2 . 1 . . . . . 54 GLN N . 27917 1 661 . 1 . 1 54 54 GLN NE2 N 15 111.186 0.2 . 1 . . . . . 54 GLN NE2 . 27917 1 662 . 1 . 1 55 55 VAL H H 1 7.374 0.04 . 1 . . . . . 55 VAL H . 27917 1 663 . 1 . 1 55 55 VAL HA H 1 4.300 0.04 . 1 . . . . . 55 VAL HA . 27917 1 664 . 1 . 1 55 55 VAL HB H 1 1.568 0.04 . 1 . . . . . 55 VAL HB . 27917 1 665 . 1 . 1 55 55 VAL HG11 H 1 0.342 0.04 . 2 . . . . . 55 VAL HG1* . 27917 1 666 . 1 . 1 55 55 VAL HG12 H 1 0.342 0.04 . 2 . . . . . 55 VAL HG1* . 27917 1 667 . 1 . 1 55 55 VAL HG13 H 1 0.342 0.04 . 2 . . . . . 55 VAL HG1* . 27917 1 668 . 1 . 1 55 55 VAL HG21 H 1 0.693 0.04 . 2 . . . . . 55 VAL HG2* . 27917 1 669 . 1 . 1 55 55 VAL HG22 H 1 0.693 0.04 . 2 . . . . . 55 VAL HG2* . 27917 1 670 . 1 . 1 55 55 VAL HG23 H 1 0.693 0.04 . 2 . . . . . 55 VAL HG2* . 27917 1 671 . 1 . 1 55 55 VAL C C 13 173.991 0.4 . 1 . . . . . 55 VAL C . 27917 1 672 . 1 . 1 55 55 VAL CA C 13 60.620 0.4 . 1 . . . . . 55 VAL CA . 27917 1 673 . 1 . 1 55 55 VAL CB C 13 31.336 0.4 . 1 . . . . . 55 VAL CB . 27917 1 674 . 1 . 1 55 55 VAL CG1 C 13 21.164 0.4 . 2 . . . . . 55 VAL CG1 . 27917 1 675 . 1 . 1 55 55 VAL CG2 C 13 20.797 0.4 . 2 . . . . . 55 VAL CG2 . 27917 1 676 . 1 . 1 55 55 VAL N N 15 118.820 0.2 . 1 . . . . . 55 VAL N . 27917 1 677 . 1 . 1 56 56 SER H H 1 8.018 0.04 . 1 . . . . . 56 SER H . 27917 1 678 . 1 . 1 56 56 SER HA H 1 4.283 0.04 . 1 . . . . . 56 SER HA . 27917 1 679 . 1 . 1 56 56 SER HB2 H 1 3.707 0.04 . 2 . . . . . 56 SER HB2 . 27917 1 680 . 1 . 1 56 56 SER HB3 H 1 3.978 0.04 . 2 . . . . . 56 SER HB3 . 27917 1 681 . 1 . 1 56 56 SER C C 13 176.802 0.4 . 1 . . . . . 56 SER C . 27917 1 682 . 1 . 1 56 56 SER CA C 13 57.434 0.4 . 1 . . . . . 56 SER CA . 27917 1 683 . 1 . 1 56 56 SER CB C 13 66.411 0.4 . 1 . . . . . 56 SER CB . 27917 1 684 . 1 . 1 56 56 SER N N 15 117.683 0.2 . 1 . . . . . 56 SER N . 27917 1 685 . 1 . 1 57 57 ARG H H 1 9.265 0.04 . 1 . . . . . 57 ARG H . 27917 1 686 . 1 . 1 57 57 ARG HA H 1 3.671 0.04 . 1 . . . . . 57 ARG HA . 27917 1 687 . 1 . 1 57 57 ARG HB2 H 1 0.911 0.04 . 1 . . . . . 57 ARG HB2 . 27917 1 688 . 1 . 1 57 57 ARG HB3 H 1 0.911 0.04 . 1 . . . . . 57 ARG HB3 . 27917 1 689 . 1 . 1 57 57 ARG C C 13 175.984 0.4 . 1 . . . . . 57 ARG C . 27917 1 690 . 1 . 1 57 57 ARG CA C 13 58.974 0.4 . 1 . . . . . 57 ARG CA . 27917 1 691 . 1 . 1 57 57 ARG CB C 13 27.781 0.4 . 1 . . . . . 57 ARG CB . 27917 1 692 . 1 . 1 57 57 ARG N N 15 120.393 0.2 . 1 . . . . . 57 ARG N . 27917 1 693 . 1 . 1 58 58 ALA H H 1 6.829 0.04 . 1 . . . . . 58 ALA H . 27917 1 694 . 1 . 1 58 58 ALA HA H 1 3.373 0.04 . 1 . . . . . 58 ALA HA . 27917 1 695 . 1 . 1 58 58 ALA HB1 H 1 -0.034 0.04 . 1 . . . . . 58 ALA HB* . 27917 1 696 . 1 . 1 58 58 ALA HB2 H 1 -0.034 0.04 . 1 . . . . . 58 ALA HB* . 27917 1 697 . 1 . 1 58 58 ALA HB3 H 1 -0.034 0.04 . 1 . . . . . 58 ALA HB* . 27917 1 698 . 1 . 1 58 58 ALA C C 13 178.907 0.4 . 1 . . . . . 58 ALA C . 27917 1 699 . 1 . 1 58 58 ALA CA C 13 53.692 0.4 . 1 . . . . . 58 ALA CA . 27917 1 700 . 1 . 1 58 58 ALA CB C 13 17.160 0.4 . 1 . . . . . 58 ALA CB . 27917 1 701 . 1 . 1 58 58 ALA N N 15 121.189 0.2 . 1 . . . . . 58 ALA N . 27917 1 702 . 1 . 1 59 59 GLU H H 1 7.131 0.04 . 1 . . . . . 59 GLU H . 27917 1 703 . 1 . 1 59 59 GLU HA H 1 3.898 0.04 . 1 . . . . . 59 GLU HA . 27917 1 704 . 1 . 1 59 59 GLU HB2 H 1 1.846 0.04 . 2 . . . . . 59 GLU HB2 . 27917 1 705 . 1 . 1 59 59 GLU HB3 H 1 2.078 0.04 . 2 . . . . . 59 GLU HB3 . 27917 1 706 . 1 . 1 59 59 GLU HG2 H 1 1.948 0.04 . 2 . . . . . 59 GLU HG2 . 27917 1 707 . 1 . 1 59 59 GLU HG3 H 1 2.053 0.04 . 2 . . . . . 59 GLU HG3 . 27917 1 708 . 1 . 1 59 59 GLU C C 13 177.878 0.4 . 1 . . . . . 59 GLU C . 27917 1 709 . 1 . 1 59 59 GLU CA C 13 57.327 0.4 . 1 . . . . . 59 GLU CA . 27917 1 710 . 1 . 1 59 59 GLU CB C 13 30.160 0.4 . 1 . . . . . 59 GLU CB . 27917 1 711 . 1 . 1 59 59 GLU CG C 13 37.467 0.4 . 1 . . . . . 59 GLU CG . 27917 1 712 . 1 . 1 59 59 GLU N N 15 115.275 0.2 . 1 . . . . . 59 GLU N . 27917 1 713 . 1 . 1 60 60 LEU H H 1 7.197 0.04 . 1 . . . . . 60 LEU H . 27917 1 714 . 1 . 1 60 60 LEU HA H 1 4.306 0.04 . 1 . . . . . 60 LEU HA . 27917 1 715 . 1 . 1 60 60 LEU HB2 H 1 1.392 0.04 . 2 . . . . . 60 LEU HB2 . 27917 1 716 . 1 . 1 60 60 LEU HB3 H 1 1.753 0.04 . 2 . . . . . 60 LEU HB3 . 27917 1 717 . 1 . 1 60 60 LEU HD11 H 1 0.714 0.04 . 2 . . . . . 60 LEU HD1* . 27917 1 718 . 1 . 1 60 60 LEU HD12 H 1 0.714 0.04 . 2 . . . . . 60 LEU HD1* . 27917 1 719 . 1 . 1 60 60 LEU HD13 H 1 0.714 0.04 . 2 . . . . . 60 LEU HD1* . 27917 1 720 . 1 . 1 60 60 LEU HD21 H 1 0.876 0.04 . 2 . . . . . 60 LEU HD2* . 27917 1 721 . 1 . 1 60 60 LEU HD22 H 1 0.876 0.04 . 2 . . . . . 60 LEU HD2* . 27917 1 722 . 1 . 1 60 60 LEU HD23 H 1 0.876 0.04 . 2 . . . . . 60 LEU HD2* . 27917 1 723 . 1 . 1 60 60 LEU C C 13 176.760 0.4 . 1 . . . . . 60 LEU C . 27917 1 724 . 1 . 1 60 60 LEU CA C 13 55.849 0.4 . 1 . . . . . 60 LEU CA . 27917 1 725 . 1 . 1 60 60 LEU CB C 13 43.610 0.4 . 1 . . . . . 60 LEU CB . 27917 1 726 . 1 . 1 60 60 LEU CD1 C 13 27.686 0.4 . 2 . . . . . 60 LEU CD1 . 27917 1 727 . 1 . 1 60 60 LEU CD2 C 13 24.145 0.4 . 2 . . . . . 60 LEU CD2 . 27917 1 728 . 1 . 1 60 60 LEU N N 15 119.735 0.2 . 1 . . . . . 60 LEU N . 27917 1 729 . 1 . 1 61 61 ARG H H 1 7.410 0.04 . 1 . . . . . 61 ARG H . 27917 1 730 . 1 . 1 61 61 ARG HA H 1 4.938 0.04 . 1 . . . . . 61 ARG HA . 27917 1 731 . 1 . 1 61 61 ARG HB2 H 1 1.916 0.04 . 2 . . . . . 61 ARG HB2 . 27917 1 732 . 1 . 1 61 61 ARG HB3 H 1 2.615 0.04 . 2 . . . . . 61 ARG HB3 . 27917 1 733 . 1 . 1 61 61 ARG HG2 H 1 1.629 0.04 . 1 . . . . . 61 ARG HG2 . 27917 1 734 . 1 . 1 61 61 ARG HG3 H 1 1.629 0.04 . 1 . . . . . 61 ARG HG3 . 27917 1 735 . 1 . 1 61 61 ARG HD2 H 1 3.185 0.04 . 2 . . . . . 61 ARG HD2 . 27917 1 736 . 1 . 1 61 61 ARG HD3 H 1 3.474 0.04 . 2 . . . . . 61 ARG HD3 . 27917 1 737 . 1 . 1 61 61 ARG C C 13 173.403 0.4 . 1 . . . . . 61 ARG C . 27917 1 738 . 1 . 1 61 61 ARG CA C 13 52.611 0.4 . 1 . . . . . 61 ARG CA . 27917 1 739 . 1 . 1 61 61 ARG CB C 13 29.521 0.4 . 1 . . . . . 61 ARG CB . 27917 1 740 . 1 . 1 61 61 ARG CG C 13 27.385 0.4 . 1 . . . . . 61 ARG CG . 27917 1 741 . 1 . 1 61 61 ARG CD C 13 41.902 0.4 . 1 . . . . . 61 ARG CD . 27917 1 742 . 1 . 1 61 61 ARG N N 15 117.001 0.2 . 1 . . . . . 61 ARG N . 27917 1 743 . 1 . 1 62 62 PRO HA H 1 4.825 0.04 . 1 . . . . . 62 PRO HA . 27917 1 744 . 1 . 1 62 62 PRO HB2 H 1 1.750 0.04 . 2 . . . . . 62 PRO HB2 . 27917 1 745 . 1 . 1 62 62 PRO HB3 H 1 2.246 0.04 . 2 . . . . . 62 PRO HB3 . 27917 1 746 . 1 . 1 62 62 PRO HG2 H 1 1.520 0.04 . 2 . . . . . 62 PRO HG2 . 27917 1 747 . 1 . 1 62 62 PRO HG3 H 1 1.957 0.04 . 2 . . . . . 62 PRO HG3 . 27917 1 748 . 1 . 1 62 62 PRO HD2 H 1 3.142 0.04 . 2 . . . . . 62 PRO HD2 . 27917 1 749 . 1 . 1 62 62 PRO HD3 H 1 3.538 0.04 . 2 . . . . . 62 PRO HD3 . 27917 1 750 . 1 . 1 62 62 PRO C C 13 178.518 0.4 . 1 . . . . . 62 PRO C . 27917 1 751 . 1 . 1 62 62 PRO CA C 13 65.079 0.4 . 1 . . . . . 62 PRO CA . 27917 1 752 . 1 . 1 62 62 PRO CB C 13 32.075 0.4 . 1 . . . . . 62 PRO CB . 27917 1 753 . 1 . 1 62 62 PRO CG C 13 27.220 0.4 . 1 . . . . . 62 PRO CG . 27917 1 754 . 1 . 1 62 62 PRO CD C 13 50.135 0.4 . 1 . . . . . 62 PRO CD . 27917 1 755 . 1 . 1 63 63 HIS H H 1 8.717 0.04 . 1 . . . . . 63 HIS H . 27917 1 756 . 1 . 1 63 63 HIS HA H 1 4.813 0.04 . 1 . . . . . 63 HIS HA . 27917 1 757 . 1 . 1 63 63 HIS HB2 H 1 3.131 0.04 . 2 . . . . . 63 HIS HB2 . 27917 1 758 . 1 . 1 63 63 HIS HB3 H 1 3.236 0.04 . 2 . . . . . 63 HIS HB3 . 27917 1 759 . 1 . 1 63 63 HIS C C 13 176.058 0.4 . 1 . . . . . 63 HIS C . 27917 1 760 . 1 . 1 63 63 HIS CA C 13 56.355 0.4 . 1 . . . . . 63 HIS CA . 27917 1 761 . 1 . 1 63 63 HIS CB C 13 29.636 0.4 . 1 . . . . . 63 HIS CB . 27917 1 762 . 1 . 1 63 63 HIS N N 15 114.535 0.2 . 1 . . . . . 63 HIS N . 27917 1 763 . 1 . 1 64 64 ASP H H 1 7.508 0.04 . 1 . . . . . 64 ASP H . 27917 1 764 . 1 . 1 64 64 ASP HA H 1 4.702 0.04 . 1 . . . . . 64 ASP HA . 27917 1 765 . 1 . 1 64 64 ASP HB2 H 1 2.432 0.04 . 2 . . . . . 64 ASP HB2 . 27917 1 766 . 1 . 1 64 64 ASP HB3 H 1 2.976 0.04 . 2 . . . . . 64 ASP HB3 . 27917 1 767 . 1 . 1 64 64 ASP C C 13 177.429 0.4 . 1 . . . . . 64 ASP C . 27917 1 768 . 1 . 1 64 64 ASP CA C 13 53.588 0.4 . 1 . . . . . 64 ASP CA . 27917 1 769 . 1 . 1 64 64 ASP CB C 13 40.658 0.4 . 1 . . . . . 64 ASP CB . 27917 1 770 . 1 . 1 64 64 ASP N N 15 115.401 0.2 . 1 . . . . . 64 ASP N . 27917 1 771 . 1 . 1 65 65 TRP H H 1 8.301 0.04 . 1 . . . . . 65 TRP H . 27917 1 772 . 1 . 1 65 65 TRP HA H 1 4.411 0.04 . 1 . . . . . 65 TRP HA . 27917 1 773 . 1 . 1 65 65 TRP HB2 H 1 3.452 0.04 . 2 . . . . . 65 TRP HB2 . 27917 1 774 . 1 . 1 65 65 TRP HB3 H 1 4.059 0.04 . 2 . . . . . 65 TRP HB3 . 27917 1 775 . 1 . 1 65 65 TRP HD1 H 1 7.784 0.04 . 1 . . . . . 65 TRP HD1 . 27917 1 776 . 1 . 1 65 65 TRP HE1 H 1 10.310 0.04 . 1 . . . . . 65 TRP HE1 . 27917 1 777 . 1 . 1 65 65 TRP HE3 H 1 7.473 0.04 . 1 . . . . . 65 TRP HE3 . 27917 1 778 . 1 . 1 65 65 TRP HZ2 H 1 7.480 0.04 . 1 . . . . . 65 TRP HZ2 . 27917 1 779 . 1 . 1 65 65 TRP HZ3 H 1 7.038 0.04 . 1 . . . . . 65 TRP HZ3 . 27917 1 780 . 1 . 1 65 65 TRP HH2 H 1 7.115 0.04 . 1 . . . . . 65 TRP HH2 . 27917 1 781 . 1 . 1 65 65 TRP C C 13 176.940 0.4 . 1 . . . . . 65 TRP C . 27917 1 782 . 1 . 1 65 65 TRP CA C 13 60.521 0.4 . 1 . . . . . 65 TRP CA . 27917 1 783 . 1 . 1 65 65 TRP CB C 13 26.613 0.4 . 1 . . . . . 65 TRP CB . 27917 1 784 . 1 . 1 65 65 TRP CD1 C 13 128.918 0.4 . 1 . . . . . 65 TRP CD1 . 27917 1 785 . 1 . 1 65 65 TRP CE3 C 13 118.672 0.4 . 1 . . . . . 65 TRP CE3 . 27917 1 786 . 1 . 1 65 65 TRP CZ2 C 13 115.410 0.4 . 1 . . . . . 65 TRP CZ2 . 27917 1 787 . 1 . 1 65 65 TRP CZ3 C 13 121.443 0.4 . 1 . . . . . 65 TRP CZ3 . 27917 1 788 . 1 . 1 65 65 TRP CH2 C 13 123.845 0.4 . 1 . . . . . 65 TRP CH2 . 27917 1 789 . 1 . 1 65 65 TRP N N 15 120.542 0.2 . 1 . . . . . 65 TRP N . 27917 1 790 . 1 . 1 65 65 TRP NE1 N 15 131.127 0.2 . 1 . . . . . 65 TRP NE1 . 27917 1 791 . 1 . 1 66 66 GLU H H 1 7.769 0.04 . 1 . . . . . 66 GLU H . 27917 1 792 . 1 . 1 66 66 GLU HA H 1 3.343 0.04 . 1 . . . . . 66 GLU HA . 27917 1 793 . 1 . 1 66 66 GLU HB2 H 1 1.086 0.04 . 2 . . . . . 66 GLU HB2 . 27917 1 794 . 1 . 1 66 66 GLU HB3 H 1 1.140 0.04 . 2 . . . . . 66 GLU HB3 . 27917 1 795 . 1 . 1 66 66 GLU HG2 H 1 0.693 0.04 . 2 . . . . . 66 GLU HG2 . 27917 1 796 . 1 . 1 66 66 GLU HG3 H 1 0.855 0.04 . 2 . . . . . 66 GLU HG3 . 27917 1 797 . 1 . 1 66 66 GLU C C 13 177.194 0.4 . 1 . . . . . 66 GLU C . 27917 1 798 . 1 . 1 66 66 GLU CA C 13 58.789 0.4 . 1 . . . . . 66 GLU CA . 27917 1 799 . 1 . 1 66 66 GLU CB C 13 28.389 0.4 . 1 . . . . . 66 GLU CB . 27917 1 800 . 1 . 1 66 66 GLU CG C 13 35.205 0.4 . 1 . . . . . 66 GLU CG . 27917 1 801 . 1 . 1 66 66 GLU N N 15 119.800 0.2 . 1 . . . . . 66 GLU N . 27917 1 802 . 1 . 1 67 67 LEU H H 1 7.107 0.04 . 1 . . . . . 67 LEU H . 27917 1 803 . 1 . 1 67 67 LEU HA H 1 4.027 0.04 . 1 . . . . . 67 LEU HA . 27917 1 804 . 1 . 1 67 67 LEU HB2 H 1 1.429 0.04 . 2 . . . . . 67 LEU HB2 . 27917 1 805 . 1 . 1 67 67 LEU HB3 H 1 1.656 0.04 . 2 . . . . . 67 LEU HB3 . 27917 1 806 . 1 . 1 67 67 LEU HG H 1 1.434 0.04 . 1 . . . . . 67 LEU HG . 27917 1 807 . 1 . 1 67 67 LEU HD11 H 1 0.683 0.04 . 2 . . . . . 67 LEU HD1* . 27917 1 808 . 1 . 1 67 67 LEU HD12 H 1 0.683 0.04 . 2 . . . . . 67 LEU HD1* . 27917 1 809 . 1 . 1 67 67 LEU HD13 H 1 0.683 0.04 . 2 . . . . . 67 LEU HD1* . 27917 1 810 . 1 . 1 67 67 LEU HD21 H 1 0.805 0.04 . 2 . . . . . 67 LEU HD2* . 27917 1 811 . 1 . 1 67 67 LEU HD22 H 1 0.805 0.04 . 2 . . . . . 67 LEU HD2* . 27917 1 812 . 1 . 1 67 67 LEU HD23 H 1 0.805 0.04 . 2 . . . . . 67 LEU HD2* . 27917 1 813 . 1 . 1 67 67 LEU C C 13 178.734 0.4 . 1 . . . . . 67 LEU C . 27917 1 814 . 1 . 1 67 67 LEU CA C 13 55.471 0.4 . 1 . . . . . 67 LEU CA . 27917 1 815 . 1 . 1 67 67 LEU CB C 13 41.935 0.4 . 1 . . . . . 67 LEU CB . 27917 1 816 . 1 . 1 67 67 LEU CG C 13 26.888 0.4 . 1 . . . . . 67 LEU CG . 27917 1 817 . 1 . 1 67 67 LEU CD1 C 13 22.991 0.4 . 2 . . . . . 67 LEU CD1 . 27917 1 818 . 1 . 1 67 67 LEU CD2 C 13 24.948 0.4 . 2 . . . . . 67 LEU CD2 . 27917 1 819 . 1 . 1 67 67 LEU N N 15 116.789 0.2 . 1 . . . . . 67 LEU N . 27917 1 820 . 1 . 1 68 68 ILE H H 1 7.322 0.04 . 1 . . . . . 68 ILE H . 27917 1 821 . 1 . 1 68 68 ILE HA H 1 3.349 0.04 . 1 . . . . . 68 ILE HA . 27917 1 822 . 1 . 1 68 68 ILE HB H 1 0.661 0.04 . 1 . . . . . 68 ILE HB . 27917 1 823 . 1 . 1 68 68 ILE HG12 H 1 0.674 0.04 . 2 . . . . . 68 ILE HG12 . 27917 1 824 . 1 . 1 68 68 ILE HG13 H 1 1.091 0.04 . 2 . . . . . 68 ILE HG13 . 27917 1 825 . 1 . 1 68 68 ILE HG21 H 1 -0.715 0.04 . 1 . . . . . 68 ILE HG2* . 27917 1 826 . 1 . 1 68 68 ILE HG22 H 1 -0.715 0.04 . 1 . . . . . 68 ILE HG2* . 27917 1 827 . 1 . 1 68 68 ILE HG23 H 1 -0.715 0.04 . 1 . . . . . 68 ILE HG2* . 27917 1 828 . 1 . 1 68 68 ILE HD11 H 1 0.299 0.04 . 1 . . . . . 68 ILE HD1* . 27917 1 829 . 1 . 1 68 68 ILE HD12 H 1 0.299 0.04 . 1 . . . . . 68 ILE HD1* . 27917 1 830 . 1 . 1 68 68 ILE HD13 H 1 0.299 0.04 . 1 . . . . . 68 ILE HD1* . 27917 1 831 . 1 . 1 68 68 ILE C C 13 176.545 0.4 . 1 . . . . . 68 ILE C . 27917 1 832 . 1 . 1 68 68 ILE CA C 13 62.956 0.4 . 1 . . . . . 68 ILE CA . 27917 1 833 . 1 . 1 68 68 ILE CB C 13 38.274 0.4 . 1 . . . . . 68 ILE CB . 27917 1 834 . 1 . 1 68 68 ILE CG1 C 13 27.434 0.4 . 1 . . . . . 68 ILE CG1 . 27917 1 835 . 1 . 1 68 68 ILE CG2 C 13 15.828 0.4 . 1 . . . . . 68 ILE CG2 . 27917 1 836 . 1 . 1 68 68 ILE CD1 C 13 12.092 0.4 . 1 . . . . . 68 ILE CD1 . 27917 1 837 . 1 . 1 68 68 ILE N N 15 119.439 0.2 . 1 . . . . . 68 ILE N . 27917 1 838 . 1 . 1 69 69 TRP H H 1 7.951 0.04 . 1 . . . . . 69 TRP H . 27917 1 839 . 1 . 1 69 69 TRP HA H 1 5.308 0.04 . 1 . . . . . 69 TRP HA . 27917 1 840 . 1 . 1 69 69 TRP HB2 H 1 3.467 0.04 . 1 . . . . . 69 TRP HB2 . 27917 1 841 . 1 . 1 69 69 TRP HB3 H 1 3.467 0.04 . 1 . . . . . 69 TRP HB3 . 27917 1 842 . 1 . 1 69 69 TRP HD1 H 1 7.441 0.04 . 1 . . . . . 69 TRP HD1 . 27917 1 843 . 1 . 1 69 69 TRP HE1 H 1 10.289 0.04 . 1 . . . . . 69 TRP HE1 . 27917 1 844 . 1 . 1 69 69 TRP HZ2 H 1 7.575 0.04 . 1 . . . . . 69 TRP HZ2 . 27917 1 845 . 1 . 1 69 69 TRP HH2 H 1 6.835 0.04 . 1 . . . . . 69 TRP HH2 . 27917 1 846 . 1 . 1 69 69 TRP C C 13 173.264 0.4 . 1 . . . . . 69 TRP C . 27917 1 847 . 1 . 1 69 69 TRP CA C 13 56.039 0.4 . 1 . . . . . 69 TRP CA . 27917 1 848 . 1 . 1 69 69 TRP CB C 13 27.955 0.4 . 1 . . . . . 69 TRP CB . 27917 1 849 . 1 . 1 69 69 TRP CD1 C 13 127.925 0.4 . 1 . . . . . 69 TRP CD1 . 27917 1 850 . 1 . 1 69 69 TRP CZ2 C 13 115.323 0.4 . 1 . . . . . 69 TRP CZ2 . 27917 1 851 . 1 . 1 69 69 TRP CH2 C 13 122.926 0.4 . 1 . . . . . 69 TRP CH2 . 27917 1 852 . 1 . 1 69 69 TRP N N 15 116.162 0.2 . 1 . . . . . 69 TRP N . 27917 1 853 . 1 . 1 69 69 TRP NE1 N 15 132.301 0.2 . 1 . . . . . 69 TRP NE1 . 27917 1 854 . 1 . 1 70 70 PRO HA H 1 4.478 0.04 . 1 . . . . . 70 PRO HA . 27917 1 855 . 1 . 1 70 70 PRO HB2 H 1 1.949 0.04 . 2 . . . . . 70 PRO HB2 . 27917 1 856 . 1 . 1 70 70 PRO HB3 H 1 2.306 0.04 . 2 . . . . . 70 PRO HB3 . 27917 1 857 . 1 . 1 70 70 PRO HG2 H 1 1.990 0.04 . 2 . . . . . 70 PRO HG2 . 27917 1 858 . 1 . 1 70 70 PRO HG3 H 1 2.022 0.04 . 2 . . . . . 70 PRO HG3 . 27917 1 859 . 1 . 1 70 70 PRO HD2 H 1 3.218 0.04 . 2 . . . . . 70 PRO HD2 . 27917 1 860 . 1 . 1 70 70 PRO HD3 H 1 3.678 0.04 . 2 . . . . . 70 PRO HD3 . 27917 1 861 . 1 . 1 70 70 PRO C C 13 179.978 0.4 . 1 . . . . . 70 PRO C . 27917 1 862 . 1 . 1 70 70 PRO CA C 13 65.403 0.4 . 1 . . . . . 70 PRO CA . 27917 1 863 . 1 . 1 70 70 PRO CB C 13 31.616 0.4 . 1 . . . . . 70 PRO CB . 27917 1 864 . 1 . 1 70 70 PRO CG C 13 27.505 0.4 . 1 . . . . . 70 PRO CG . 27917 1 865 . 1 . 1 70 70 PRO CD C 13 50.083 0.4 . 1 . . . . . 70 PRO CD . 27917 1 866 . 1 . 1 71 71 GLU H H 1 8.890 0.04 . 1 . . . . . 71 GLU H . 27917 1 867 . 1 . 1 71 71 GLU HA H 1 4.245 0.04 . 1 . . . . . 71 GLU HA . 27917 1 868 . 1 . 1 71 71 GLU HB2 H 1 2.120 0.04 . 1 . . . . . 71 GLU HB2 . 27917 1 869 . 1 . 1 71 71 GLU HB3 H 1 2.120 0.04 . 1 . . . . . 71 GLU HB3 . 27917 1 870 . 1 . 1 71 71 GLU HG2 H 1 2.327 0.04 . 1 . . . . . 71 GLU HG2 . 27917 1 871 . 1 . 1 71 71 GLU HG3 H 1 2.327 0.04 . 1 . . . . . 71 GLU HG3 . 27917 1 872 . 1 . 1 71 71 GLU C C 13 178.809 0.4 . 1 . . . . . 71 GLU C . 27917 1 873 . 1 . 1 71 71 GLU CA C 13 59.018 0.4 . 1 . . . . . 71 GLU CA . 27917 1 874 . 1 . 1 71 71 GLU CB C 13 28.513 0.4 . 1 . . . . . 71 GLU CB . 27917 1 875 . 1 . 1 71 71 GLU CG C 13 36.514 0.4 . 1 . . . . . 71 GLU CG . 27917 1 876 . 1 . 1 71 71 GLU N N 15 119.214 0.2 . 1 . . . . . 71 GLU N . 27917 1 877 . 1 . 1 72 72 TYR H H 1 8.079 0.04 . 1 . . . . . 72 TYR H . 27917 1 878 . 1 . 1 72 72 TYR HA H 1 4.308 0.04 . 1 . . . . . 72 TYR HA . 27917 1 879 . 1 . 1 72 72 TYR HB2 H 1 3.166 0.04 . 2 . . . . . 72 TYR HB2 . 27917 1 880 . 1 . 1 72 72 TYR HB3 H 1 3.420 0.04 . 2 . . . . . 72 TYR HB3 . 27917 1 881 . 1 . 1 72 72 TYR HD1 H 1 7.050 0.04 . 3 . . . . . 72 TYR HD* . 27917 1 882 . 1 . 1 72 72 TYR HD2 H 1 7.050 0.04 . 3 . . . . . 72 TYR HD* . 27917 1 883 . 1 . 1 72 72 TYR HE1 H 1 6.479 0.04 . 3 . . . . . 72 TYR HE* . 27917 1 884 . 1 . 1 72 72 TYR HE2 H 1 6.479 0.04 . 3 . . . . . 72 TYR HE* . 27917 1 885 . 1 . 1 72 72 TYR C C 13 177.554 0.4 . 1 . . . . . 72 TYR C . 27917 1 886 . 1 . 1 72 72 TYR CA C 13 60.263 0.4 . 1 . . . . . 72 TYR CA . 27917 1 887 . 1 . 1 72 72 TYR CB C 13 39.245 0.4 . 1 . . . . . 72 TYR CB . 27917 1 888 . 1 . 1 72 72 TYR CD1 C 13 132.846 0.4 . 3 . . . . . 72 TYR CD* . 27917 1 889 . 1 . 1 72 72 TYR CD2 C 13 132.846 0.4 . 3 . . . . . 72 TYR CD* . 27917 1 890 . 1 . 1 72 72 TYR CE1 C 13 118.280 0.4 . 3 . . . . . 72 TYR CE* . 27917 1 891 . 1 . 1 72 72 TYR CE2 C 13 118.280 0.4 . 3 . . . . . 72 TYR CE* . 27917 1 892 . 1 . 1 72 72 TYR N N 15 123.863 0.2 . 1 . . . . . 72 TYR N . 27917 1 893 . 1 . 1 73 73 ALA H H 1 8.413 0.04 . 1 . . . . . 73 ALA H . 27917 1 894 . 1 . 1 73 73 ALA HA H 1 4.208 0.04 . 1 . . . . . 73 ALA HA . 27917 1 895 . 1 . 1 73 73 ALA HB1 H 1 1.395 0.04 . 1 . . . . . 73 ALA HB* . 27917 1 896 . 1 . 1 73 73 ALA HB2 H 1 1.395 0.04 . 1 . . . . . 73 ALA HB* . 27917 1 897 . 1 . 1 73 73 ALA HB3 H 1 1.395 0.04 . 1 . . . . . 73 ALA HB* . 27917 1 898 . 1 . 1 73 73 ALA C C 13 178.881 0.4 . 1 . . . . . 73 ALA C . 27917 1 899 . 1 . 1 73 73 ALA CA C 13 54.804 0.4 . 1 . . . . . 73 ALA CA . 27917 1 900 . 1 . 1 73 73 ALA CB C 13 18.977 0.4 . 1 . . . . . 73 ALA CB . 27917 1 901 . 1 . 1 73 73 ALA N N 15 121.916 0.2 . 1 . . . . . 73 ALA N . 27917 1 902 . 1 . 1 74 74 SER H H 1 8.076 0.04 . 1 . . . . . 74 SER H . 27917 1 903 . 1 . 1 74 74 SER HA H 1 4.174 0.04 . 1 . . . . . 74 SER HA . 27917 1 904 . 1 . 1 74 74 SER HB2 H 1 3.893 0.04 . 1 . . . . . 74 SER HB2 . 27917 1 905 . 1 . 1 74 74 SER HB3 H 1 3.893 0.04 . 1 . . . . . 74 SER HB3 . 27917 1 906 . 1 . 1 74 74 SER C C 13 176.053 0.4 . 1 . . . . . 74 SER C . 27917 1 907 . 1 . 1 74 74 SER CA C 13 60.544 0.4 . 1 . . . . . 74 SER CA . 27917 1 908 . 1 . 1 74 74 SER CB C 13 63.115 0.4 . 1 . . . . . 74 SER CB . 27917 1 909 . 1 . 1 74 74 SER N N 15 113.318 0.2 . 1 . . . . . 74 SER N . 27917 1 910 . 1 . 1 75 75 GLY H H 1 7.825 0.04 . 1 . . . . . 75 GLY H . 27917 1 911 . 1 . 1 75 75 GLY HA2 H 1 3.846 0.04 . 1 . . . . . 75 GLY HA2 . 27917 1 912 . 1 . 1 75 75 GLY HA3 H 1 3.846 0.04 . 1 . . . . . 75 GLY HA3 . 27917 1 913 . 1 . 1 75 75 GLY C C 13 175.419 0.4 . 1 . . . . . 75 GLY C . 27917 1 914 . 1 . 1 75 75 GLY CA C 13 46.257 0.4 . 1 . . . . . 75 GLY CA . 27917 1 915 . 1 . 1 75 75 GLY N N 15 108.812 0.2 . 1 . . . . . 75 GLY N . 27917 1 916 . 1 . 1 76 76 ILE H H 1 7.592 0.04 . 1 . . . . . 76 ILE H . 27917 1 917 . 1 . 1 76 76 ILE HA H 1 3.895 0.04 . 1 . . . . . 76 ILE HA . 27917 1 918 . 1 . 1 76 76 ILE HB H 1 1.838 0.04 . 1 . . . . . 76 ILE HB . 27917 1 919 . 1 . 1 76 76 ILE HG12 H 1 0.992 0.04 . 2 . . . . . 76 ILE HG12 . 27917 1 920 . 1 . 1 76 76 ILE HG13 H 1 1.217 0.04 . 2 . . . . . 76 ILE HG13 . 27917 1 921 . 1 . 1 76 76 ILE HG21 H 1 0.777 0.04 . 1 . . . . . 76 ILE HG2* . 27917 1 922 . 1 . 1 76 76 ILE HG22 H 1 0.777 0.04 . 1 . . . . . 76 ILE HG2* . 27917 1 923 . 1 . 1 76 76 ILE HG23 H 1 0.777 0.04 . 1 . . . . . 76 ILE HG2* . 27917 1 924 . 1 . 1 76 76 ILE HD11 H 1 0.551 0.04 . 1 . . . . . 76 ILE HD1* . 27917 1 925 . 1 . 1 76 76 ILE HD12 H 1 0.551 0.04 . 1 . . . . . 76 ILE HD1* . 27917 1 926 . 1 . 1 76 76 ILE HD13 H 1 0.551 0.04 . 1 . . . . . 76 ILE HD1* . 27917 1 927 . 1 . 1 76 76 ILE C C 13 177.536 0.4 . 1 . . . . . 76 ILE C . 27917 1 928 . 1 . 1 76 76 ILE CA C 13 62.170 0.4 . 1 . . . . . 76 ILE CA . 27917 1 929 . 1 . 1 76 76 ILE CB C 13 37.862 0.4 . 1 . . . . . 76 ILE CB . 27917 1 930 . 1 . 1 76 76 ILE CG1 C 13 27.581 0.4 . 1 . . . . . 76 ILE CG1 . 27917 1 931 . 1 . 1 76 76 ILE CG2 C 13 17.326 0.4 . 1 . . . . . 76 ILE CG2 . 27917 1 932 . 1 . 1 76 76 ILE CD1 C 13 12.261 0.4 . 1 . . . . . 76 ILE CD1 . 27917 1 933 . 1 . 1 76 76 ILE N N 15 120.560 0.2 . 1 . . . . . 76 ILE N . 27917 1 934 . 1 . 1 77 77 ARG H H 1 8.002 0.04 . 1 . . . . . 77 ARG H . 27917 1 935 . 1 . 1 77 77 ARG HA H 1 4.170 0.04 . 1 . . . . . 77 ARG HA . 27917 1 936 . 1 . 1 77 77 ARG HB2 H 1 1.791 0.04 . 1 . . . . . 77 ARG HB2 . 27917 1 937 . 1 . 1 77 77 ARG HB3 H 1 1.791 0.04 . 1 . . . . . 77 ARG HB3 . 27917 1 938 . 1 . 1 77 77 ARG HG2 H 1 1.529 0.04 . 2 . . . . . 77 ARG HG2 . 27917 1 939 . 1 . 1 77 77 ARG HG3 H 1 1.613 0.04 . 2 . . . . . 77 ARG HG3 . 27917 1 940 . 1 . 1 77 77 ARG HD2 H 1 3.102 0.04 . 1 . . . . . 77 ARG HD2 . 27917 1 941 . 1 . 1 77 77 ARG HD3 H 1 3.102 0.04 . 1 . . . . . 77 ARG HD3 . 27917 1 942 . 1 . 1 77 77 ARG C C 13 177.254 0.4 . 1 . . . . . 77 ARG C . 27917 1 943 . 1 . 1 77 77 ARG CA C 13 57.311 0.4 . 1 . . . . . 77 ARG CA . 27917 1 944 . 1 . 1 77 77 ARG CB C 13 30.369 0.4 . 1 . . . . . 77 ARG CB . 27917 1 945 . 1 . 1 77 77 ARG CG C 13 27.532 0.4 . 1 . . . . . 77 ARG CG . 27917 1 946 . 1 . 1 77 77 ARG CD C 13 43.322 0.4 . 1 . . . . . 77 ARG CD . 27917 1 947 . 1 . 1 77 77 ARG N N 15 122.093 0.2 . 1 . . . . . 77 ARG N . 27917 1 948 . 1 . 1 78 78 LEU H H 1 8.045 0.04 . 1 . . . . . 78 LEU H . 27917 1 949 . 1 . 1 78 78 LEU HA H 1 4.231 0.04 . 1 . . . . . 78 LEU HA . 27917 1 950 . 1 . 1 78 78 LEU HB2 H 1 1.540 0.04 . 2 . . . . . 78 LEU HB2 . 27917 1 951 . 1 . 1 78 78 LEU HB3 H 1 1.666 0.04 . 2 . . . . . 78 LEU HB3 . 27917 1 952 . 1 . 1 78 78 LEU HG H 1 1.615 0.04 . 1 . . . . . 78 LEU HG . 27917 1 953 . 1 . 1 78 78 LEU HD11 H 1 0.804 0.04 . 2 . . . . . 78 LEU HD1* . 27917 1 954 . 1 . 1 78 78 LEU HD12 H 1 0.804 0.04 . 2 . . . . . 78 LEU HD1* . 27917 1 955 . 1 . 1 78 78 LEU HD13 H 1 0.804 0.04 . 2 . . . . . 78 LEU HD1* . 27917 1 956 . 1 . 1 78 78 LEU HD21 H 1 0.833 0.04 . 2 . . . . . 78 LEU HD2* . 27917 1 957 . 1 . 1 78 78 LEU HD22 H 1 0.833 0.04 . 2 . . . . . 78 LEU HD2* . 27917 1 958 . 1 . 1 78 78 LEU HD23 H 1 0.833 0.04 . 2 . . . . . 78 LEU HD2* . 27917 1 959 . 1 . 1 78 78 LEU C C 13 178.252 0.4 . 1 . . . . . 78 LEU C . 27917 1 960 . 1 . 1 78 78 LEU CA C 13 55.798 0.4 . 1 . . . . . 78 LEU CA . 27917 1 961 . 1 . 1 78 78 LEU CB C 13 42.153 0.4 . 1 . . . . . 78 LEU CB . 27917 1 962 . 1 . 1 78 78 LEU CG C 13 26.951 0.4 . 1 . . . . . 78 LEU CG . 27917 1 963 . 1 . 1 78 78 LEU CD1 C 13 23.294 0.4 . 2 . . . . . 78 LEU CD1 . 27917 1 964 . 1 . 1 78 78 LEU CD2 C 13 24.843 0.4 . 2 . . . . . 78 LEU CD2 . 27917 1 965 . 1 . 1 78 78 LEU N N 15 120.923 0.2 . 1 . . . . . 78 LEU N . 27917 1 966 . 1 . 1 79 79 GLY H H 1 8.119 0.04 . 1 . . . . . 79 GLY H . 27917 1 967 . 1 . 1 79 79 GLY HA2 H 1 3.895 0.04 . 1 . . . . . 79 GLY HA2 . 27917 1 968 . 1 . 1 79 79 GLY HA3 H 1 3.895 0.04 . 1 . . . . . 79 GLY HA3 . 27917 1 969 . 1 . 1 79 79 GLY C C 13 174.413 0.4 . 1 . . . . . 79 GLY C . 27917 1 970 . 1 . 1 79 79 GLY CA C 13 45.645 0.4 . 1 . . . . . 79 GLY CA . 27917 1 971 . 1 . 1 79 79 GLY N N 15 108.455 0.2 . 1 . . . . . 79 GLY N . 27917 1 972 . 1 . 1 80 80 GLN H H 1 8.034 0.04 . 1 . . . . . 80 GLN H . 27917 1 973 . 1 . 1 80 80 GLN HA H 1 4.307 0.04 . 1 . . . . . 80 GLN HA . 27917 1 974 . 1 . 1 80 80 GLN HB2 H 1 1.907 0.04 . 2 . . . . . 80 GLN HB2 . 27917 1 975 . 1 . 1 80 80 GLN HB3 H 1 2.035 0.04 . 2 . . . . . 80 GLN HB3 . 27917 1 976 . 1 . 1 80 80 GLN HG2 H 1 2.287 0.04 . 1 . . . . . 80 GLN HG2 . 27917 1 977 . 1 . 1 80 80 GLN HG3 H 1 2.287 0.04 . 1 . . . . . 80 GLN HG3 . 27917 1 978 . 1 . 1 80 80 GLN HE21 H 1 6.794 0.04 . 2 . . . . . 80 GLN HE21 . 27917 1 979 . 1 . 1 80 80 GLN HE22 H 1 7.450 0.04 . 2 . . . . . 80 GLN HE22 . 27917 1 980 . 1 . 1 80 80 GLN C C 13 176.220 0.4 . 1 . . . . . 80 GLN C . 27917 1 981 . 1 . 1 80 80 GLN CA C 13 55.875 0.4 . 1 . . . . . 80 GLN CA . 27917 1 982 . 1 . 1 80 80 GLN CB C 13 29.384 0.4 . 1 . . . . . 80 GLN CB . 27917 1 983 . 1 . 1 80 80 GLN CG C 13 33.794 0.4 . 1 . . . . . 80 GLN CG . 27917 1 984 . 1 . 1 80 80 GLN N N 15 119.182 0.2 . 1 . . . . . 80 GLN N . 27917 1 985 . 1 . 1 80 80 GLN NE2 N 15 112.093 0.2 . 1 . . . . . 80 GLN NE2 . 27917 1 986 . 1 . 1 81 81 THR H H 1 8.023 0.04 . 1 . . . . . 81 THR H . 27917 1 987 . 1 . 1 81 81 THR HA H 1 4.211 0.04 . 1 . . . . . 81 THR HA . 27917 1 988 . 1 . 1 81 81 THR HB H 1 4.074 0.04 . 1 . . . . . 81 THR HB . 27917 1 989 . 1 . 1 81 81 THR HG21 H 1 1.085 0.04 . 1 . . . . . 81 THR HG2* . 27917 1 990 . 1 . 1 81 81 THR HG22 H 1 1.085 0.04 . 1 . . . . . 81 THR HG2* . 27917 1 991 . 1 . 1 81 81 THR HG23 H 1 1.085 0.04 . 1 . . . . . 81 THR HG2* . 27917 1 992 . 1 . 1 81 81 THR C C 13 174.168 0.4 . 1 . . . . . 81 THR C . 27917 1 993 . 1 . 1 81 81 THR CA C 13 62.076 0.4 . 1 . . . . . 81 THR CA . 27917 1 994 . 1 . 1 81 81 THR CB C 13 69.772 0.4 . 1 . . . . . 81 THR CB . 27917 1 995 . 1 . 1 81 81 THR CG2 C 13 21.551 0.4 . 1 . . . . . 81 THR CG2 . 27917 1 996 . 1 . 1 81 81 THR N N 15 114.413 0.2 . 1 . . . . . 81 THR N . 27917 1 997 . 1 . 1 82 82 HIS H H 1 8.385 0.04 . 1 . . . . . 82 HIS H . 27917 1 998 . 1 . 1 82 82 HIS HA H 1 4.666 0.04 . 1 . . . . . 82 HIS HA . 27917 1 999 . 1 . 1 82 82 HIS HB2 H 1 3.052 0.04 . 2 . . . . . 82 HIS HB2 . 27917 1 1000 . 1 . 1 82 82 HIS HB3 H 1 3.164 0.04 . 2 . . . . . 82 HIS HB3 . 27917 1 1001 . 1 . 1 82 82 HIS C C 13 174.017 0.4 . 1 . . . . . 82 HIS C . 27917 1 1002 . 1 . 1 82 82 HIS CA C 13 55.321 0.4 . 1 . . . . . 82 HIS CA . 27917 1 1003 . 1 . 1 82 82 HIS CB C 13 29.383 0.4 . 1 . . . . . 82 HIS CB . 27917 1 1004 . 1 . 1 82 82 HIS N N 15 121.099 0.2 . 1 . . . . . 82 HIS N . 27917 1 1005 . 1 . 1 83 83 VAL H H 1 8.087 0.04 . 1 . . . . . 83 VAL H . 27917 1 1006 . 1 . 1 83 83 VAL HA H 1 3.988 0.04 . 1 . . . . . 83 VAL HA . 27917 1 1007 . 1 . 1 83 83 VAL HB H 1 1.878 0.04 . 1 . . . . . 83 VAL HB . 27917 1 1008 . 1 . 1 83 83 VAL HG11 H 1 0.717 0.04 . 2 . . . . . 83 VAL HG1* . 27917 1 1009 . 1 . 1 83 83 VAL HG12 H 1 0.717 0.04 . 2 . . . . . 83 VAL HG1* . 27917 1 1010 . 1 . 1 83 83 VAL HG13 H 1 0.717 0.04 . 2 . . . . . 83 VAL HG1* . 27917 1 1011 . 1 . 1 83 83 VAL HG21 H 1 0.781 0.04 . 2 . . . . . 83 VAL HG2* . 27917 1 1012 . 1 . 1 83 83 VAL HG22 H 1 0.781 0.04 . 2 . . . . . 83 VAL HG2* . 27917 1 1013 . 1 . 1 83 83 VAL HG23 H 1 0.781 0.04 . 2 . . . . . 83 VAL HG2* . 27917 1 1014 . 1 . 1 83 83 VAL C C 13 175.632 0.4 . 1 . . . . . 83 VAL C . 27917 1 1015 . 1 . 1 83 83 VAL CA C 13 62.262 0.4 . 1 . . . . . 83 VAL CA . 27917 1 1016 . 1 . 1 83 83 VAL CB C 13 32.777 0.4 . 1 . . . . . 83 VAL CB . 27917 1 1017 . 1 . 1 83 83 VAL CG1 C 13 20.992 0.4 . 2 . . . . . 83 VAL CG1 . 27917 1 1018 . 1 . 1 83 83 VAL CG2 C 13 20.968 0.4 . 2 . . . . . 83 VAL CG2 . 27917 1 1019 . 1 . 1 83 83 VAL N N 15 122.364 0.2 . 1 . . . . . 83 VAL N . 27917 1 1020 . 1 . 1 84 84 VAL H H 1 8.204 0.04 . 1 . . . . . 84 VAL H . 27917 1 1021 . 1 . 1 84 84 VAL HA H 1 3.978 0.04 . 1 . . . . . 84 VAL HA . 27917 1 1022 . 1 . 1 84 84 VAL HB H 1 1.886 0.04 . 1 . . . . . 84 VAL HB . 27917 1 1023 . 1 . 1 84 84 VAL HG11 H 1 0.806 0.04 . 1 . . . . . 84 VAL HG1* . 27917 1 1024 . 1 . 1 84 84 VAL HG12 H 1 0.806 0.04 . 1 . . . . . 84 VAL HG1* . 27917 1 1025 . 1 . 1 84 84 VAL HG13 H 1 0.806 0.04 . 1 . . . . . 84 VAL HG1* . 27917 1 1026 . 1 . 1 84 84 VAL HG21 H 1 0.806 0.04 . 1 . . . . . 84 VAL HG2* . 27917 1 1027 . 1 . 1 84 84 VAL HG22 H 1 0.806 0.04 . 1 . . . . . 84 VAL HG2* . 27917 1 1028 . 1 . 1 84 84 VAL HG23 H 1 0.806 0.04 . 1 . . . . . 84 VAL HG2* . 27917 1 1029 . 1 . 1 84 84 VAL C C 13 175.671 0.4 . 1 . . . . . 84 VAL C . 27917 1 1030 . 1 . 1 84 84 VAL CA C 13 62.210 0.4 . 1 . . . . . 84 VAL CA . 27917 1 1031 . 1 . 1 84 84 VAL CB C 13 32.787 0.4 . 1 . . . . . 84 VAL CB . 27917 1 1032 . 1 . 1 84 84 VAL CG1 C 13 20.845 0.4 . 1 . . . . . 84 VAL CG1 . 27917 1 1033 . 1 . 1 84 84 VAL CG2 C 13 20.845 0.4 . 1 . . . . . 84 VAL CG2 . 27917 1 1034 . 1 . 1 84 84 VAL N N 15 124.812 0.2 . 1 . . . . . 84 VAL N . 27917 1 1035 . 1 . 1 85 85 HIS H H 1 8.549 0.04 . 1 . . . . . 85 HIS H . 27917 1 1036 . 1 . 1 85 85 HIS HA H 1 4.648 0.04 . 1 . . . . . 85 HIS HA . 27917 1 1037 . 1 . 1 85 85 HIS HB2 H 1 3.074 0.04 . 2 . . . . . 85 HIS HB2 . 27917 1 1038 . 1 . 1 85 85 HIS HB3 H 1 3.162 0.04 . 2 . . . . . 85 HIS HB3 . 27917 1 1039 . 1 . 1 85 85 HIS C C 13 173.984 0.4 . 1 . . . . . 85 HIS C . 27917 1 1040 . 1 . 1 85 85 HIS CA C 13 55.135 0.4 . 1 . . . . . 85 HIS CA . 27917 1 1041 . 1 . 1 85 85 HIS CB C 13 29.452 0.4 . 1 . . . . . 85 HIS CB . 27917 1 1042 . 1 . 1 85 85 HIS N N 15 123.397 0.2 . 1 . . . . . 85 HIS N . 27917 1 1043 . 1 . 1 86 86 ALA H H 1 8.459 0.04 . 1 . . . . . 86 ALA H . 27917 1 1044 . 1 . 1 86 86 ALA HA H 1 4.271 0.04 . 1 . . . . . 86 ALA HA . 27917 1 1045 . 1 . 1 86 86 ALA HB1 H 1 1.301 0.04 . 1 . . . . . 86 ALA HB* . 27917 1 1046 . 1 . 1 86 86 ALA HB2 H 1 1.301 0.04 . 1 . . . . . 86 ALA HB* . 27917 1 1047 . 1 . 1 86 86 ALA HB3 H 1 1.301 0.04 . 1 . . . . . 86 ALA HB* . 27917 1 1048 . 1 . 1 86 86 ALA C C 13 177.437 0.4 . 1 . . . . . 86 ALA C . 27917 1 1049 . 1 . 1 86 86 ALA CA C 13 52.356 0.4 . 1 . . . . . 86 ALA CA . 27917 1 1050 . 1 . 1 86 86 ALA CB C 13 19.436 0.4 . 1 . . . . . 86 ALA CB . 27917 1 1051 . 1 . 1 86 86 ALA N N 15 126.656 0.2 . 1 . . . . . 86 ALA N . 27917 1 1052 . 1 . 1 87 87 GLU H H 1 8.541 0.04 . 1 . . . . . 87 GLU H . 27917 1 1053 . 1 . 1 87 87 GLU HA H 1 4.205 0.04 . 1 . . . . . 87 GLU HA . 27917 1 1054 . 1 . 1 87 87 GLU HB2 H 1 1.890 0.04 . 2 . . . . . 87 GLU HB2 . 27917 1 1055 . 1 . 1 87 87 GLU HB3 H 1 1.999 0.04 . 2 . . . . . 87 GLU HB3 . 27917 1 1056 . 1 . 1 87 87 GLU HG2 H 1 2.228 0.04 . 1 . . . . . 87 GLU HG2 . 27917 1 1057 . 1 . 1 87 87 GLU HG3 H 1 2.228 0.04 . 1 . . . . . 87 GLU HG3 . 27917 1 1058 . 1 . 1 87 87 GLU C C 13 176.981 0.4 . 1 . . . . . 87 GLU C . 27917 1 1059 . 1 . 1 87 87 GLU CA C 13 56.875 0.4 . 1 . . . . . 87 GLU CA . 27917 1 1060 . 1 . 1 87 87 GLU CB C 13 30.087 0.4 . 1 . . . . . 87 GLU CB . 27917 1 1061 . 1 . 1 87 87 GLU CG C 13 36.056 0.4 . 1 . . . . . 87 GLU CG . 27917 1 1062 . 1 . 1 87 87 GLU N N 15 120.598 0.2 . 1 . . . . . 87 GLU N . 27917 1 1063 . 1 . 1 88 88 GLY H H 1 8.357 0.04 . 1 . . . . . 88 GLY H . 27917 1 1064 . 1 . 1 88 88 GLY HA2 H 1 3.860 0.04 . 2 . . . . . 88 GLY HA2 . 27917 1 1065 . 1 . 1 88 88 GLY HA3 H 1 3.929 0.04 . 2 . . . . . 88 GLY HA3 . 27917 1 1066 . 1 . 1 88 88 GLY C C 13 173.798 0.4 . 1 . . . . . 88 GLY C . 27917 1 1067 . 1 . 1 88 88 GLY CA C 13 45.249 0.4 . 1 . . . . . 88 GLY CA . 27917 1 1068 . 1 . 1 88 88 GLY N N 15 109.853 0.2 . 1 . . . . . 88 GLY N . 27917 1 1069 . 1 . 1 89 89 ASP H H 1 8.150 0.04 . 1 . . . . . 89 ASP H . 27917 1 1070 . 1 . 1 89 89 ASP HA H 1 4.548 0.04 . 1 . . . . . 89 ASP HA . 27917 1 1071 . 1 . 1 89 89 ASP HB2 H 1 2.593 0.04 . 1 . . . . . 89 ASP HB2 . 27917 1 1072 . 1 . 1 89 89 ASP HB3 H 1 2.593 0.04 . 1 . . . . . 89 ASP HB3 . 27917 1 1073 . 1 . 1 89 89 ASP C C 13 175.684 0.4 . 1 . . . . . 89 ASP C . 27917 1 1074 . 1 . 1 89 89 ASP CA C 13 54.144 0.4 . 1 . . . . . 89 ASP CA . 27917 1 1075 . 1 . 1 89 89 ASP CB C 13 41.193 0.4 . 1 . . . . . 89 ASP CB . 27917 1 1076 . 1 . 1 89 89 ASP N N 15 120.123 0.2 . 1 . . . . . 89 ASP N . 27917 1 1077 . 1 . 1 90 90 CYS H H 1 8.394 0.04 . 1 . . . . . 90 CYS H . 27917 1 1078 . 1 . 1 90 90 CYS HA H 1 4.637 0.04 . 1 . . . . . 90 CYS HA . 27917 1 1079 . 1 . 1 90 90 CYS HB2 H 1 3.179 0.04 . 2 . . . . . 90 CYS HB2 . 27917 1 1080 . 1 . 1 90 90 CYS HB3 H 1 3.247 0.04 . 2 . . . . . 90 CYS HB3 . 27917 1 1081 . 1 . 1 90 90 CYS C C 13 174.929 0.4 . 1 . . . . . 90 CYS C . 27917 1 1082 . 1 . 1 90 90 CYS CA C 13 54.589 0.4 . 1 . . . . . 90 CYS CA . 27917 1 1083 . 1 . 1 90 90 CYS CB C 13 40.814 0.4 . 1 . . . . . 90 CYS CB . 27917 1 1084 . 1 . 1 90 90 CYS N N 15 119.931 0.2 . 1 . . . . . 90 CYS N . 27917 1 1085 . 1 . 1 91 91 SER H H 1 8.702 0.04 . 1 . . . . . 91 SER H . 27917 1 1086 . 1 . 1 91 91 SER HA H 1 4.216 0.04 . 1 . . . . . 91 SER HA . 27917 1 1087 . 1 . 1 91 91 SER HB2 H 1 3.824 0.04 . 1 . . . . . 91 SER HB2 . 27917 1 1088 . 1 . 1 91 91 SER HB3 H 1 3.824 0.04 . 1 . . . . . 91 SER HB3 . 27917 1 1089 . 1 . 1 91 91 SER C C 13 175.665 0.4 . 1 . . . . . 91 SER C . 27917 1 1090 . 1 . 1 91 91 SER CA C 13 60.824 0.4 . 1 . . . . . 91 SER CA . 27917 1 1091 . 1 . 1 91 91 SER CB C 13 62.788 0.4 . 1 . . . . . 91 SER CB . 27917 1 1092 . 1 . 1 91 91 SER N N 15 121.781 0.2 . 1 . . . . . 91 SER N . 27917 1 1093 . 1 . 1 92 92 ALA H H 1 8.490 0.04 . 1 . . . . . 92 ALA H . 27917 1 1094 . 1 . 1 92 92 ALA HA H 1 4.369 0.04 . 1 . . . . . 92 ALA HA . 27917 1 1095 . 1 . 1 92 92 ALA HB1 H 1 1.308 0.04 . 1 . . . . . 92 ALA HB* . 27917 1 1096 . 1 . 1 92 92 ALA HB2 H 1 1.308 0.04 . 1 . . . . . 92 ALA HB* . 27917 1 1097 . 1 . 1 92 92 ALA HB3 H 1 1.308 0.04 . 1 . . . . . 92 ALA HB* . 27917 1 1098 . 1 . 1 92 92 ALA C C 13 177.197 0.4 . 1 . . . . . 92 ALA C . 27917 1 1099 . 1 . 1 92 92 ALA CA C 13 52.381 0.4 . 1 . . . . . 92 ALA CA . 27917 1 1100 . 1 . 1 92 92 ALA CB C 13 18.292 0.4 . 1 . . . . . 92 ALA CB . 27917 1 1101 . 1 . 1 92 92 ALA N N 15 124.030 0.2 . 1 . . . . . 92 ALA N . 27917 1 1102 . 1 . 1 93 93 CYS H H 1 7.806 0.04 . 1 . . . . . 93 CYS H . 27917 1 1103 . 1 . 1 93 93 CYS HA H 1 4.468 0.04 . 1 . . . . . 93 CYS HA . 27917 1 1104 . 1 . 1 93 93 CYS HB2 H 1 3.036 0.04 . 2 . . . . . 93 CYS HB2 . 27917 1 1105 . 1 . 1 93 93 CYS HB3 H 1 3.252 0.04 . 2 . . . . . 93 CYS HB3 . 27917 1 1106 . 1 . 1 93 93 CYS C C 13 174.391 0.4 . 1 . . . . . 93 CYS C . 27917 1 1107 . 1 . 1 93 93 CYS CA C 13 59.306 0.4 . 1 . . . . . 93 CYS CA . 27917 1 1108 . 1 . 1 93 93 CYS CB C 13 38.061 0.4 . 1 . . . . . 93 CYS CB . 27917 1 1109 . 1 . 1 93 93 CYS N N 15 117.074 0.2 . 1 . . . . . 93 CYS N . 27917 1 1110 . 1 . 1 94 94 LEU H H 1 8.067 0.04 . 1 . . . . . 94 LEU H . 27917 1 1111 . 1 . 1 94 94 LEU HA H 1 4.325 0.04 . 1 . . . . . 94 LEU HA . 27917 1 1112 . 1 . 1 94 94 LEU HB2 H 1 1.524 0.04 . 2 . . . . . 94 LEU HB2 . 27917 1 1113 . 1 . 1 94 94 LEU HB3 H 1 1.621 0.04 . 2 . . . . . 94 LEU HB3 . 27917 1 1114 . 1 . 1 94 94 LEU HG H 1 1.592 0.04 . 1 . . . . . 94 LEU HG . 27917 1 1115 . 1 . 1 94 94 LEU HD11 H 1 0.785 0.04 . 2 . . . . . 94 LEU HD1* . 27917 1 1116 . 1 . 1 94 94 LEU HD12 H 1 0.785 0.04 . 2 . . . . . 94 LEU HD1* . 27917 1 1117 . 1 . 1 94 94 LEU HD13 H 1 0.785 0.04 . 2 . . . . . 94 LEU HD1* . 27917 1 1118 . 1 . 1 94 94 LEU HD21 H 1 0.846 0.04 . 2 . . . . . 94 LEU HD2* . 27917 1 1119 . 1 . 1 94 94 LEU HD22 H 1 0.846 0.04 . 2 . . . . . 94 LEU HD2* . 27917 1 1120 . 1 . 1 94 94 LEU HD23 H 1 0.846 0.04 . 2 . . . . . 94 LEU HD2* . 27917 1 1121 . 1 . 1 94 94 LEU C C 13 177.339 0.4 . 1 . . . . . 94 LEU C . 27917 1 1122 . 1 . 1 94 94 LEU CA C 13 55.193 0.4 . 1 . . . . . 94 LEU CA . 27917 1 1123 . 1 . 1 94 94 LEU CB C 13 42.236 0.4 . 1 . . . . . 94 LEU CB . 27917 1 1124 . 1 . 1 94 94 LEU CG C 13 26.913 0.4 . 1 . . . . . 94 LEU CG . 27917 1 1125 . 1 . 1 94 94 LEU CD1 C 13 23.261 0.4 . 2 . . . . . 94 LEU CD1 . 27917 1 1126 . 1 . 1 94 94 LEU CD2 C 13 24.971 0.4 . 2 . . . . . 94 LEU CD2 . 27917 1 1127 . 1 . 1 94 94 LEU N N 15 121.667 0.2 . 1 . . . . . 94 LEU N . 27917 1 1128 . 1 . 1 95 95 SER H H 1 8.170 0.04 . 1 . . . . . 95 SER H . 27917 1 1129 . 1 . 1 95 95 SER HA H 1 4.395 0.04 . 1 . . . . . 95 SER HA . 27917 1 1130 . 1 . 1 95 95 SER HB2 H 1 3.797 0.04 . 2 . . . . . 95 SER HB2 . 27917 1 1131 . 1 . 1 95 95 SER HB3 H 1 3.797 0.04 . 2 . . . . . 95 SER HB3 . 27917 1 1132 . 1 . 1 95 95 SER C C 13 174.352 0.4 . 1 . . . . . 95 SER C . 27917 1 1133 . 1 . 1 95 95 SER CA C 13 58.339 0.4 . 1 . . . . . 95 SER CA . 27917 1 1134 . 1 . 1 95 95 SER CB C 13 63.896 0.4 . 1 . . . . . 95 SER CB . 27917 1 1135 . 1 . 1 95 95 SER N N 15 116.128 0.2 . 1 . . . . . 95 SER N . 27917 1 1136 . 1 . 1 96 96 ASP H H 1 8.298 0.04 . 1 . . . . . 96 ASP H . 27917 1 1137 . 1 . 1 96 96 ASP HA H 1 4.565 0.04 . 1 . . . . . 96 ASP HA . 27917 1 1138 . 1 . 1 96 96 ASP HB2 H 1 2.631 0.04 . 1 . . . . . 96 ASP HB2 . 27917 1 1139 . 1 . 1 96 96 ASP HB3 H 1 2.631 0.04 . 1 . . . . . 96 ASP HB3 . 27917 1 1140 . 1 . 1 96 96 ASP C C 13 176.668 0.4 . 1 . . . . . 96 ASP C . 27917 1 1141 . 1 . 1 96 96 ASP CA C 13 54.477 0.4 . 1 . . . . . 96 ASP CA . 27917 1 1142 . 1 . 1 96 96 ASP CB C 13 41.156 0.4 . 1 . . . . . 96 ASP CB . 27917 1 1143 . 1 . 1 96 96 ASP N N 15 122.157 0.2 . 1 . . . . . 96 ASP N . 27917 1 1144 . 1 . 1 97 97 GLY H H 1 8.235 0.04 . 1 . . . . . 97 GLY H . 27917 1 1145 . 1 . 1 97 97 GLY HA2 H 1 3.893 0.04 . 1 . . . . . 97 GLY HA2 . 27917 1 1146 . 1 . 1 97 97 GLY HA3 H 1 3.893 0.04 . 1 . . . . . 97 GLY HA3 . 27917 1 1147 . 1 . 1 97 97 GLY C C 13 174.326 0.4 . 1 . . . . . 97 GLY C . 27917 1 1148 . 1 . 1 97 97 GLY CA C 13 45.450 0.4 . 1 . . . . . 97 GLY CA . 27917 1 1149 . 1 . 1 97 97 GLY N N 15 108.704 0.2 . 1 . . . . . 97 GLY N . 27917 1 1150 . 1 . 1 98 98 VAL H H 1 7.925 0.04 . 1 . . . . . 98 VAL H . 27917 1 1151 . 1 . 1 98 98 VAL HA H 1 4.017 0.04 . 1 . . . . . 98 VAL HA . 27917 1 1152 . 1 . 1 98 98 VAL HB H 1 2.013 0.04 . 1 . . . . . 98 VAL HB . 27917 1 1153 . 1 . 1 98 98 VAL HG11 H 1 0.835 0.04 . 1 . . . . . 98 VAL HG1* . 27917 1 1154 . 1 . 1 98 98 VAL HG12 H 1 0.835 0.04 . 1 . . . . . 98 VAL HG1* . 27917 1 1155 . 1 . 1 98 98 VAL HG13 H 1 0.835 0.04 . 1 . . . . . 98 VAL HG1* . 27917 1 1156 . 1 . 1 98 98 VAL HG21 H 1 0.835 0.04 . 1 . . . . . 98 VAL HG2* . 27917 1 1157 . 1 . 1 98 98 VAL HG22 H 1 0.835 0.04 . 1 . . . . . 98 VAL HG2* . 27917 1 1158 . 1 . 1 98 98 VAL HG23 H 1 0.835 0.04 . 1 . . . . . 98 VAL HG2* . 27917 1 1159 . 1 . 1 98 98 VAL C C 13 175.998 0.4 . 1 . . . . . 98 VAL C . 27917 1 1160 . 1 . 1 98 98 VAL CA C 13 62.541 0.4 . 1 . . . . . 98 VAL CA . 27917 1 1161 . 1 . 1 98 98 VAL CB C 13 32.633 0.4 . 1 . . . . . 98 VAL CB . 27917 1 1162 . 1 . 1 98 98 VAL CG1 C 13 20.764 0.4 . 1 . . . . . 98 VAL CG1 . 27917 1 1163 . 1 . 1 98 98 VAL CG2 C 13 20.764 0.4 . 1 . . . . . 98 VAL CG2 . 27917 1 1164 . 1 . 1 98 98 VAL N N 15 119.128 0.2 . 1 . . . . . 98 VAL N . 27917 1 1165 . 1 . 1 99 99 ASP H H 1 8.434 0.04 . 1 . . . . . 99 ASP H . 27917 1 1166 . 1 . 1 99 99 ASP HA H 1 4.609 0.04 . 1 . . . . . 99 ASP HA . 27917 1 1167 . 1 . 1 99 99 ASP HB2 H 1 2.588 0.04 . 2 . . . . . 99 ASP HB2 . 27917 1 1168 . 1 . 1 99 99 ASP HB3 H 1 2.687 0.04 . 2 . . . . . 99 ASP HB3 . 27917 1 1169 . 1 . 1 99 99 ASP C C 13 176.426 0.4 . 1 . . . . . 99 ASP C . 27917 1 1170 . 1 . 1 99 99 ASP CA C 13 54.156 0.4 . 1 . . . . . 99 ASP CA . 27917 1 1171 . 1 . 1 99 99 ASP CB C 13 41.220 0.4 . 1 . . . . . 99 ASP CB . 27917 1 1172 . 1 . 1 99 99 ASP N N 15 123.515 0.2 . 1 . . . . . 99 ASP N . 27917 1 1173 . 1 . 1 100 100 SER H H 1 8.284 0.04 . 1 . . . . . 100 SER H . 27917 1 1174 . 1 . 1 100 100 SER HA H 1 4.326 0.04 . 1 . . . . . 100 SER HA . 27917 1 1175 . 1 . 1 100 100 SER HB2 H 1 3.786 0.04 . 2 . . . . . 100 SER HB2 . 27917 1 1176 . 1 . 1 100 100 SER HB3 H 1 3.883 0.04 . 2 . . . . . 100 SER HB3 . 27917 1 1177 . 1 . 1 100 100 SER C C 13 175.455 0.4 . 1 . . . . . 100 SER C . 27917 1 1178 . 1 . 1 100 100 SER CA C 13 58.928 0.4 . 1 . . . . . 100 SER CA . 27917 1 1179 . 1 . 1 100 100 SER CB C 13 63.738 0.4 . 1 . . . . . 100 SER CB . 27917 1 1180 . 1 . 1 100 100 SER N N 15 117.204 0.2 . 1 . . . . . 100 SER N . 27917 1 1181 . 1 . 1 101 101 GLY H H 1 8.510 0.04 . 1 . . . . . 101 GLY H . 27917 1 1182 . 1 . 1 101 101 GLY HA2 H 1 3.928 0.04 . 1 . . . . . 101 GLY HA2 . 27917 1 1183 . 1 . 1 101 101 GLY HA3 H 1 3.928 0.04 . 1 . . . . . 101 GLY HA3 . 27917 1 1184 . 1 . 1 101 101 GLY C C 13 174.644 0.4 . 1 . . . . . 101 GLY C . 27917 1 1185 . 1 . 1 101 101 GLY CA C 13 45.677 0.4 . 1 . . . . . 101 GLY CA . 27917 1 1186 . 1 . 1 101 101 GLY N N 15 110.820 0.2 . 1 . . . . . 101 GLY N . 27917 1 1187 . 1 . 1 102 102 SER H H 1 8.080 0.04 . 1 . . . . . 102 SER H . 27917 1 1188 . 1 . 1 102 102 SER HA H 1 4.355 0.04 . 1 . . . . . 102 SER HA . 27917 1 1189 . 1 . 1 102 102 SER HB2 H 1 3.777 0.04 . 2 . . . . . 102 SER HB2 . 27917 1 1190 . 1 . 1 102 102 SER HB3 H 1 3.823 0.04 . 2 . . . . . 102 SER HB3 . 27917 1 1191 . 1 . 1 102 102 SER C C 13 174.886 0.4 . 1 . . . . . 102 SER C . 27917 1 1192 . 1 . 1 102 102 SER CA C 13 58.601 0.4 . 1 . . . . . 102 SER CA . 27917 1 1193 . 1 . 1 102 102 SER CB C 13 63.799 0.4 . 1 . . . . . 102 SER CB . 27917 1 1194 . 1 . 1 102 102 SER N N 15 115.416 0.2 . 1 . . . . . 102 SER N . 27917 1 1195 . 1 . 1 103 103 SER H H 1 8.205 0.04 . 1 . . . . . 103 SER H . 27917 1 1196 . 1 . 1 103 103 SER C C 13 174.435 0.4 . 1 . . . . . 103 SER C . 27917 1 1197 . 1 . 1 103 103 SER CA C 13 58.746 0.4 . 1 . . . . . 103 SER CA . 27917 1 1198 . 1 . 1 103 103 SER CB C 13 63.638 0.4 . 1 . . . . . 103 SER CB . 27917 1 1199 . 1 . 1 103 103 SER N N 15 117.149 0.2 . 1 . . . . . 103 SER N . 27917 1 stop_ save_