data_36096 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36096 _Entry.Title ; NMR solution structure of SMO1, Sumo homologue in Caenorhabditis elegans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-07 _Entry.Accession_date 2017-06-07 _Entry.Last_release_date 2017-08-28 _Entry.Original_release_date 2017-08-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.32 _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 C. Gowda C. M. . . 36096 2 P. Surana P. . . . 36096 3 R. Das R. . . . 36096 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Caenorhabditis elegans' . 36096 'SIGNALING PROTEIN' . 36096 'Sumo homologue' . 36096 'solution structure' . 36096 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36096 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 364 36096 '15N chemical shifts' 88 36096 '1H chemical shifts' 547 36096 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-08-21 . original BMRB . 36096 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5XQM 'BMRB Entry Tracking System' 36096 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36096 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR solution structure of SMO1, Sumo homologue in Caenorhabditis elegans ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 C. Gowda C. M. . . 36096 1 2 P. Surana P. . . . 36096 1 3 R. Das R. . . . 36096 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36096 _Assembly.ID 1 _Assembly.Name 'Small ubiquitin-related modifier' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36096 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36096 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Small ubiquitin-related modifier' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHMADDAAQAGDNAE YIKIKVVGQDSNEVHFRVKY GTSMAKLKKSYADRTGVAVN SLRFLFDGRRINDDDTPKTL EMEDDDVIEVYQEQLGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11048.223 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SUMO na 36096 1 'Ubiquitin-like protein SMT3' na 36096 1 stop_ 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 . 36096 1 2 . HIS . 36096 1 3 . HIS . 36096 1 4 . HIS . 36096 1 5 . HIS . 36096 1 6 . HIS . 36096 1 7 . HIS . 36096 1 8 . MET . 36096 1 9 . ALA . 36096 1 10 . ASP . 36096 1 11 . ASP . 36096 1 12 . ALA . 36096 1 13 . ALA . 36096 1 14 . GLN . 36096 1 15 . ALA . 36096 1 16 . GLY . 36096 1 17 . ASP . 36096 1 18 . ASN . 36096 1 19 . ALA . 36096 1 20 . GLU . 36096 1 21 . TYR . 36096 1 22 . ILE . 36096 1 23 . LYS . 36096 1 24 . ILE . 36096 1 25 . LYS . 36096 1 26 . VAL . 36096 1 27 . VAL . 36096 1 28 . GLY . 36096 1 29 . GLN . 36096 1 30 . ASP . 36096 1 31 . SER . 36096 1 32 . ASN . 36096 1 33 . GLU . 36096 1 34 . VAL . 36096 1 35 . HIS . 36096 1 36 . PHE . 36096 1 37 . ARG . 36096 1 38 . VAL . 36096 1 39 . LYS . 36096 1 40 . TYR . 36096 1 41 . GLY . 36096 1 42 . THR . 36096 1 43 . SER . 36096 1 44 . MET . 36096 1 45 . ALA . 36096 1 46 . LYS . 36096 1 47 . LEU . 36096 1 48 . LYS . 36096 1 49 . LYS . 36096 1 50 . SER . 36096 1 51 . TYR . 36096 1 52 . ALA . 36096 1 53 . ASP . 36096 1 54 . ARG . 36096 1 55 . THR . 36096 1 56 . GLY . 36096 1 57 . VAL . 36096 1 58 . ALA . 36096 1 59 . VAL . 36096 1 60 . ASN . 36096 1 61 . SER . 36096 1 62 . LEU . 36096 1 63 . ARG . 36096 1 64 . PHE . 36096 1 65 . LEU . 36096 1 66 . PHE . 36096 1 67 . ASP . 36096 1 68 . GLY . 36096 1 69 . ARG . 36096 1 70 . ARG . 36096 1 71 . ILE . 36096 1 72 . ASN . 36096 1 73 . ASP . 36096 1 74 . ASP . 36096 1 75 . ASP . 36096 1 76 . THR . 36096 1 77 . PRO . 36096 1 78 . LYS . 36096 1 79 . THR . 36096 1 80 . LEU . 36096 1 81 . GLU . 36096 1 82 . MET . 36096 1 83 . GLU . 36096 1 84 . ASP . 36096 1 85 . ASP . 36096 1 86 . ASP . 36096 1 87 . VAL . 36096 1 88 . ILE . 36096 1 89 . GLU . 36096 1 90 . VAL . 36096 1 91 . TYR . 36096 1 92 . GLN . 36096 1 93 . GLU . 36096 1 94 . GLN . 36096 1 95 . LEU . 36096 1 96 . GLY . 36096 1 97 . GLY . 36096 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 36096 1 . HIS 2 2 36096 1 . HIS 3 3 36096 1 . HIS 4 4 36096 1 . HIS 5 5 36096 1 . HIS 6 6 36096 1 . HIS 7 7 36096 1 . MET 8 8 36096 1 . ALA 9 9 36096 1 . ASP 10 10 36096 1 . ASP 11 11 36096 1 . ALA 12 12 36096 1 . ALA 13 13 36096 1 . GLN 14 14 36096 1 . ALA 15 15 36096 1 . GLY 16 16 36096 1 . ASP 17 17 36096 1 . ASN 18 18 36096 1 . ALA 19 19 36096 1 . GLU 20 20 36096 1 . TYR 21 21 36096 1 . ILE 22 22 36096 1 . LYS 23 23 36096 1 . ILE 24 24 36096 1 . LYS 25 25 36096 1 . VAL 26 26 36096 1 . VAL 27 27 36096 1 . GLY 28 28 36096 1 . GLN 29 29 36096 1 . ASP 30 30 36096 1 . SER 31 31 36096 1 . ASN 32 32 36096 1 . GLU 33 33 36096 1 . VAL 34 34 36096 1 . HIS 35 35 36096 1 . PHE 36 36 36096 1 . ARG 37 37 36096 1 . VAL 38 38 36096 1 . LYS 39 39 36096 1 . TYR 40 40 36096 1 . GLY 41 41 36096 1 . THR 42 42 36096 1 . SER 43 43 36096 1 . MET 44 44 36096 1 . ALA 45 45 36096 1 . LYS 46 46 36096 1 . LEU 47 47 36096 1 . LYS 48 48 36096 1 . LYS 49 49 36096 1 . SER 50 50 36096 1 . TYR 51 51 36096 1 . ALA 52 52 36096 1 . ASP 53 53 36096 1 . ARG 54 54 36096 1 . THR 55 55 36096 1 . GLY 56 56 36096 1 . VAL 57 57 36096 1 . ALA 58 58 36096 1 . VAL 59 59 36096 1 . ASN 60 60 36096 1 . SER 61 61 36096 1 . LEU 62 62 36096 1 . ARG 63 63 36096 1 . PHE 64 64 36096 1 . LEU 65 65 36096 1 . PHE 66 66 36096 1 . ASP 67 67 36096 1 . GLY 68 68 36096 1 . ARG 69 69 36096 1 . ARG 70 70 36096 1 . ILE 71 71 36096 1 . ASN 72 72 36096 1 . ASP 73 73 36096 1 . ASP 74 74 36096 1 . ASP 75 75 36096 1 . THR 76 76 36096 1 . PRO 77 77 36096 1 . LYS 78 78 36096 1 . THR 79 79 36096 1 . LEU 80 80 36096 1 . GLU 81 81 36096 1 . MET 82 82 36096 1 . GLU 83 83 36096 1 . ASP 84 84 36096 1 . ASP 85 85 36096 1 . ASP 86 86 36096 1 . VAL 87 87 36096 1 . ILE 88 88 36096 1 . GLU 89 89 36096 1 . VAL 90 90 36096 1 . TYR 91 91 36096 1 . GLN 92 92 36096 1 . GLU 93 93 36096 1 . GLN 94 94 36096 1 . LEU 95 95 36096 1 . GLY 96 96 36096 1 . GLY 97 97 36096 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 36096 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . 'smo-1, smt3, sumo, K12C11.2' . 36096 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 36096 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 36096 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36096 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '620 uM [U-13C; U-15N] SMO1, Small Ubiquitin like modifier in C. elegans, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SMO1, Small Ubiquitin like modifier in C. elegans' '[U-13C; U-15N]' . . 1 $entity_1 . . 620 . . uM . . . . 36096 1 2 NaCl 'natural abundance' . . . . . salt 150 . . mM . . . . 36096 1 3 'sodium phosphate' 'natural abundance' . . . . . buffer 25 . . mM . . . . 36096 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 36096 _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' 150 . mM 36096 1 pH 6.0 . pH 36096 1 pressure 1 . atm 36096 1 temperature 298 . K 36096 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36096 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36096 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 36096 1 . 'structure calculation' 36096 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36096 _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' . . 36096 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 36096 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36096 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36096 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 36096 3 . 'peak picking' 36096 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36096 _Software.ID 4 _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' . . 36096 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 36096 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36096 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 36096 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 800 . . . 36096 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 36096 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36096 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36096 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36096 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36096 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36096 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36096 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36096 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36096 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36096 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36096 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36096 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36096 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.78 internal indirect 0.25144953 . . . . . 36096 1 H 1 water protons . . . . ppm 4.78 internal direct 1.0 . . . . . 36096 1 N 15 water protons . . . . ppm 4.78 internal indirect 0.10132912 . . . . . 36096 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36096 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 36096 1 2 '3D HNCO' . . . 36096 1 3 '3D HNCA' . . . 36096 1 4 '3D HNCACB' . . . 36096 1 5 '3D CBCA(CO)NH' . . . 36096 1 6 '3D HN(CO)CA' . . . 36096 1 7 '3D C(CO)NH' . . . 36096 1 8 '3D H(CCO)NH' . . . 36096 1 9 '3D 1H-15N NOESY' . . . 36096 1 10 '3D 1H-13C NOESY aliphatic' . . . 36096 1 11 '3D 1H-13C NOESY aromatic' . . . 36096 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 MET HA H 1 4.363 0.000 . 1 . . . . A 1 MET HA . 36096 1 2 . 1 1 8 8 MET HB2 H 1 1.993 0.000 . 2 . . . . A 1 MET HB2 . 36096 1 3 . 1 1 8 8 MET HB3 H 1 1.896 0.000 . 2 . . . . A 1 MET HB3 . 36096 1 4 . 1 1 8 8 MET HG2 H 1 2.455 0.000 . 2 . . . . A 1 MET HG2 . 36096 1 5 . 1 1 8 8 MET HG3 H 1 2.428 0.000 . 2 . . . . A 1 MET HG3 . 36096 1 6 . 1 1 8 8 MET C C 13 175.869 0.000 . 1 . . . . A 1 MET C . 36096 1 7 . 1 1 8 8 MET CA C 13 55.383 0.010 . 1 . . . . A 1 MET CA . 36096 1 8 . 1 1 8 8 MET CB C 13 32.911 0.016 . 1 . . . . A 1 MET CB . 36096 1 9 . 1 1 8 8 MET CG C 13 31.833 0.000 . 1 . . . . A 1 MET CG . 36096 1 10 . 1 1 9 9 ALA H H 1 8.348 0.003 . 1 . . . . A 2 ALA H . 36096 1 11 . 1 1 9 9 ALA HA H 1 4.208 0.000 . 1 . . . . A 2 ALA HA . 36096 1 12 . 1 1 9 9 ALA HB1 H 1 1.316 0.000 . 1 . . . . A 2 ALA HB1 . 36096 1 13 . 1 1 9 9 ALA HB2 H 1 1.316 0.000 . 1 . . . . A 2 ALA HB2 . 36096 1 14 . 1 1 9 9 ALA HB3 H 1 1.316 0.000 . 1 . . . . A 2 ALA HB3 . 36096 1 15 . 1 1 9 9 ALA C C 13 177.484 0.000 . 1 . . . . A 2 ALA C . 36096 1 16 . 1 1 9 9 ALA CA C 13 52.740 0.073 . 1 . . . . A 2 ALA CA . 36096 1 17 . 1 1 9 9 ALA CB C 13 19.139 0.033 . 1 . . . . A 2 ALA CB . 36096 1 18 . 1 1 9 9 ALA N N 15 124.809 0.016 . 1 . . . . A 2 ALA N . 36096 1 19 . 1 1 10 10 ASP H H 1 8.204 0.002 . 1 . . . . A 3 ASP H . 36096 1 20 . 1 1 10 10 ASP HA H 1 4.484 0.000 . 1 . . . . A 3 ASP HA . 36096 1 21 . 1 1 10 10 ASP HB2 H 1 2.575 0.000 . 2 . . . . A 3 ASP HB2 . 36096 1 22 . 1 1 10 10 ASP HB3 H 1 2.630 0.000 . 2 . . . . A 3 ASP HB3 . 36096 1 23 . 1 1 10 10 ASP C C 13 176.165 0.000 . 1 . . . . A 3 ASP C . 36096 1 24 . 1 1 10 10 ASP CA C 13 54.438 0.059 . 1 . . . . A 3 ASP CA . 36096 1 25 . 1 1 10 10 ASP CB C 13 40.970 0.014 . 1 . . . . A 3 ASP CB . 36096 1 26 . 1 1 10 10 ASP N N 15 119.226 0.026 . 1 . . . . A 3 ASP N . 36096 1 27 . 1 1 11 11 ASP H H 1 8.114 0.002 . 1 . . . . A 4 ASP H . 36096 1 28 . 1 1 11 11 ASP HA H 1 4.473 0.000 . 1 . . . . A 4 ASP HA . 36096 1 29 . 1 1 11 11 ASP HB2 H 1 2.609 0.000 . 2 . . . . A 4 ASP HB2 . 36096 1 30 . 1 1 11 11 ASP HB3 H 1 2.609 0.000 . 2 . . . . A 4 ASP HB3 . 36096 1 31 . 1 1 11 11 ASP C C 13 176.429 0.000 . 1 . . . . A 4 ASP C . 36096 1 32 . 1 1 11 11 ASP CA C 13 54.463 0.074 . 1 . . . . A 4 ASP CA . 36096 1 33 . 1 1 11 11 ASP CB C 13 40.956 0.011 . 1 . . . . A 4 ASP CB . 36096 1 34 . 1 1 11 11 ASP N N 15 120.351 0.025 . 1 . . . . A 4 ASP N . 36096 1 35 . 1 1 12 12 ALA H H 1 8.098 0.002 . 1 . . . . A 5 ALA H . 36096 1 36 . 1 1 12 12 ALA HA H 1 4.176 0.000 . 1 . . . . A 5 ALA HA . 36096 1 37 . 1 1 12 12 ALA HB1 H 1 1.326 0.000 . 1 . . . . A 5 ALA HB1 . 36096 1 38 . 1 1 12 12 ALA HB2 H 1 1.326 0.000 . 1 . . . . A 5 ALA HB2 . 36096 1 39 . 1 1 12 12 ALA HB3 H 1 1.326 0.000 . 1 . . . . A 5 ALA HB3 . 36096 1 40 . 1 1 12 12 ALA C C 13 177.936 0.000 . 1 . . . . A 5 ALA C . 36096 1 41 . 1 1 12 12 ALA CA C 13 52.966 0.087 . 1 . . . . A 5 ALA CA . 36096 1 42 . 1 1 12 12 ALA CB C 13 18.927 0.054 . 1 . . . . A 5 ALA CB . 36096 1 43 . 1 1 12 12 ALA N N 15 123.984 0.025 . 1 . . . . A 5 ALA N . 36096 1 44 . 1 1 13 13 ALA H H 1 8.068 0.002 . 1 . . . . A 6 ALA H . 36096 1 45 . 1 1 13 13 ALA HA H 1 4.178 0.000 . 1 . . . . A 6 ALA HA . 36096 1 46 . 1 1 13 13 ALA HB1 H 1 1.321 0.000 . 1 . . . . A 6 ALA HB1 . 36096 1 47 . 1 1 13 13 ALA HB2 H 1 1.321 0.000 . 1 . . . . A 6 ALA HB2 . 36096 1 48 . 1 1 13 13 ALA HB3 H 1 1.321 0.000 . 1 . . . . A 6 ALA HB3 . 36096 1 49 . 1 1 13 13 ALA C C 13 178.006 0.000 . 1 . . . . A 6 ALA C . 36096 1 50 . 1 1 13 13 ALA CA C 13 52.877 0.086 . 1 . . . . A 6 ALA CA . 36096 1 51 . 1 1 13 13 ALA CB C 13 18.883 0.033 . 1 . . . . A 6 ALA CB . 36096 1 52 . 1 1 13 13 ALA N N 15 122.130 0.012 . 1 . . . . A 6 ALA N . 36096 1 53 . 1 1 14 14 GLN H H 1 8.084 0.002 . 1 . . . . A 7 GLN H . 36096 1 54 . 1 1 14 14 GLN HA H 1 4.229 0.000 . 1 . . . . A 7 GLN HA . 36096 1 55 . 1 1 14 14 GLN HB2 H 1 2.060 0.000 . 2 . . . . A 7 GLN HB2 . 36096 1 56 . 1 1 14 14 GLN HB3 H 1 1.905 0.000 . 2 . . . . A 7 GLN HB3 . 36096 1 57 . 1 1 14 14 GLN HG2 H 1 2.292 0.000 . 2 . . . . A 7 GLN HG2 . 36096 1 58 . 1 1 14 14 GLN HG3 H 1 2.292 0.000 . 2 . . . . A 7 GLN HG3 . 36096 1 59 . 1 1 14 14 GLN C C 13 175.788 0.000 . 1 . . . . A 7 GLN C . 36096 1 60 . 1 1 14 14 GLN CA C 13 55.625 0.029 . 1 . . . . A 7 GLN CA . 36096 1 61 . 1 1 14 14 GLN CB C 13 29.248 0.077 . 1 . . . . A 7 GLN CB . 36096 1 62 . 1 1 14 14 GLN CG C 13 33.727 0.000 . 1 . . . . A 7 GLN CG . 36096 1 63 . 1 1 14 14 GLN N N 15 118.548 0.012 . 1 . . . . A 7 GLN N . 36096 1 64 . 1 1 15 15 ALA H H 1 8.152 0.002 . 1 . . . . A 8 ALA H . 36096 1 65 . 1 1 15 15 ALA HA H 1 4.236 0.000 . 1 . . . . A 8 ALA HA . 36096 1 66 . 1 1 15 15 ALA HB1 H 1 1.326 0.000 . 1 . . . . A 8 ALA HB1 . 36096 1 67 . 1 1 15 15 ALA HB2 H 1 1.326 0.000 . 1 . . . . A 8 ALA HB2 . 36096 1 68 . 1 1 15 15 ALA HB3 H 1 1.326 0.000 . 1 . . . . A 8 ALA HB3 . 36096 1 69 . 1 1 15 15 ALA C C 13 178.235 0.000 . 1 . . . . A 8 ALA C . 36096 1 70 . 1 1 15 15 ALA CA C 13 52.766 0.067 . 1 . . . . A 8 ALA CA . 36096 1 71 . 1 1 15 15 ALA CB C 13 19.236 0.035 . 1 . . . . A 8 ALA CB . 36096 1 72 . 1 1 15 15 ALA N N 15 124.639 0.020 . 1 . . . . A 8 ALA N . 36096 1 73 . 1 1 16 16 GLY H H 1 8.260 0.002 . 1 . . . . A 9 GLY H . 36096 1 74 . 1 1 16 16 GLY HA2 H 1 3.856 0.000 . 2 . . . . A 9 GLY HA2 . 36096 1 75 . 1 1 16 16 GLY HA3 H 1 3.856 0.000 . 2 . . . . A 9 GLY HA3 . 36096 1 76 . 1 1 16 16 GLY C C 13 174.102 0.000 . 1 . . . . A 9 GLY C . 36096 1 77 . 1 1 16 16 GLY CA C 13 45.327 0.010 . 1 . . . . A 9 GLY CA . 36096 1 78 . 1 1 16 16 GLY N N 15 108.038 0.009 . 1 . . . . A 9 GLY N . 36096 1 79 . 1 1 17 17 ASP H H 1 8.180 0.002 . 1 . . . . A 10 ASP H . 36096 1 80 . 1 1 17 17 ASP HA H 1 4.522 0.000 . 1 . . . . A 10 ASP HA . 36096 1 81 . 1 1 17 17 ASP HB2 H 1 2.614 0.000 . 2 . . . . A 10 ASP HB2 . 36096 1 82 . 1 1 17 17 ASP HB3 H 1 2.614 0.000 . 2 . . . . A 10 ASP HB3 . 36096 1 83 . 1 1 17 17 ASP C C 13 176.479 0.000 . 1 . . . . A 10 ASP C . 36096 1 84 . 1 1 17 17 ASP CA C 13 54.429 0.035 . 1 . . . . A 10 ASP CA . 36096 1 85 . 1 1 17 17 ASP CB C 13 41.136 0.018 . 1 . . . . A 10 ASP CB . 36096 1 86 . 1 1 17 17 ASP N N 15 120.621 0.008 . 1 . . . . A 10 ASP N . 36096 1 87 . 1 1 18 18 ASN H H 1 8.323 0.002 . 1 . . . . A 11 ASN H . 36096 1 88 . 1 1 18 18 ASN HA H 1 4.580 0.000 . 1 . . . . A 11 ASN HA . 36096 1 89 . 1 1 18 18 ASN HB2 H 1 2.742 0.000 . 2 . . . . A 11 ASN HB2 . 36096 1 90 . 1 1 18 18 ASN HB3 H 1 2.696 0.000 . 2 . . . . A 11 ASN HB3 . 36096 1 91 . 1 1 18 18 ASN C C 13 175.243 0.000 . 1 . . . . A 11 ASN C . 36096 1 92 . 1 1 18 18 ASN CA C 13 53.988 0.065 . 1 . . . . A 11 ASN CA . 36096 1 93 . 1 1 18 18 ASN CB C 13 38.915 0.033 . 1 . . . . A 11 ASN CB . 36096 1 94 . 1 1 18 18 ASN N N 15 118.887 0.035 . 1 . . . . A 11 ASN N . 36096 1 95 . 1 1 19 19 ALA H H 1 8.151 0.005 . 1 . . . . A 12 ALA H . 36096 1 96 . 1 1 19 19 ALA HA H 1 4.272 0.000 . 1 . . . . A 12 ALA HA . 36096 1 97 . 1 1 19 19 ALA HB1 H 1 1.343 0.000 . 1 . . . . A 12 ALA HB1 . 36096 1 98 . 1 1 19 19 ALA HB2 H 1 1.343 0.000 . 1 . . . . A 12 ALA HB2 . 36096 1 99 . 1 1 19 19 ALA HB3 H 1 1.343 0.000 . 1 . . . . A 12 ALA HB3 . 36096 1 100 . 1 1 19 19 ALA C C 13 177.215 0.000 . 1 . . . . A 12 ALA C . 36096 1 101 . 1 1 19 19 ALA CA C 13 52.748 0.055 . 1 . . . . A 12 ALA CA . 36096 1 102 . 1 1 19 19 ALA CB C 13 19.248 0.034 . 1 . . . . A 12 ALA CB . 36096 1 103 . 1 1 19 19 ALA N N 15 122.882 0.021 . 1 . . . . A 12 ALA N . 36096 1 104 . 1 1 20 20 GLU H H 1 8.142 0.008 . 1 . . . . A 13 GLU H . 36096 1 105 . 1 1 20 20 GLU HA H 1 4.272 0.000 . 1 . . . . A 13 GLU HA . 36096 1 106 . 1 1 20 20 GLU HB2 H 1 2.098 0.000 . 2 . . . . A 13 GLU HB2 . 36096 1 107 . 1 1 20 20 GLU HB3 H 1 1.950 0.000 . 2 . . . . A 13 GLU HB3 . 36096 1 108 . 1 1 20 20 GLU HG2 H 1 2.232 0.000 . 2 . . . . A 13 GLU HG2 . 36096 1 109 . 1 1 20 20 GLU HG3 H 1 2.232 0.000 . 2 . . . . A 13 GLU HG3 . 36096 1 110 . 1 1 20 20 GLU C C 13 175.778 0.000 . 1 . . . . A 13 GLU C . 36096 1 111 . 1 1 20 20 GLU CA C 13 56.913 0.050 . 1 . . . . A 13 GLU CA . 36096 1 112 . 1 1 20 20 GLU CB C 13 30.968 0.074 . 1 . . . . A 13 GLU CB . 36096 1 113 . 1 1 20 20 GLU CG C 13 36.452 0.000 . 1 . . . . A 13 GLU CG . 36096 1 114 . 1 1 20 20 GLU N N 15 118.241 0.066 . 1 . . . . A 13 GLU N . 36096 1 115 . 1 1 21 21 TYR H H 1 8.149 0.003 . 1 . . . . A 14 TYR H . 36096 1 116 . 1 1 21 21 TYR HA H 1 4.876 0.000 . 1 . . . . A 14 TYR HA . 36096 1 117 . 1 1 21 21 TYR HB2 H 1 2.692 0.000 . 2 . . . . A 14 TYR HB2 . 36096 1 118 . 1 1 21 21 TYR HB3 H 1 2.493 0.000 . 2 . . . . A 14 TYR HB3 . 36096 1 119 . 1 1 21 21 TYR HD1 H 1 6.782 0.000 . 3 . . . . A 14 TYR HD1 . 36096 1 120 . 1 1 21 21 TYR HD2 H 1 6.782 0.000 . 3 . . . . A 14 TYR HD2 . 36096 1 121 . 1 1 21 21 TYR HE1 H 1 6.708 0.000 . 3 . . . . A 14 TYR HE1 . 36096 1 122 . 1 1 21 21 TYR HE2 H 1 6.708 0.000 . 3 . . . . A 14 TYR HE2 . 36096 1 123 . 1 1 21 21 TYR C C 13 174.568 0.000 . 1 . . . . A 14 TYR C . 36096 1 124 . 1 1 21 21 TYR CA C 13 57.501 0.097 . 1 . . . . A 14 TYR CA . 36096 1 125 . 1 1 21 21 TYR CB C 13 42.037 0.052 . 1 . . . . A 14 TYR CB . 36096 1 126 . 1 1 21 21 TYR CD1 C 13 132.972 0.000 . 1 . . . . A 14 TYR CD1 . 36096 1 127 . 1 1 21 21 TYR CD2 C 13 132.972 0.000 . 1 . . . . A 14 TYR CD2 . 36096 1 128 . 1 1 21 21 TYR N N 15 118.371 0.021 . 1 . . . . A 14 TYR N . 36096 1 129 . 1 1 22 22 ILE H H 1 9.187 0.006 . 1 . . . . A 15 ILE H . 36096 1 130 . 1 1 22 22 ILE HA H 1 4.599 0.000 . 1 . . . . A 15 ILE HA . 36096 1 131 . 1 1 22 22 ILE HB H 1 0.927 0.000 . 1 . . . . A 15 ILE HB . 36096 1 132 . 1 1 22 22 ILE HG12 H 1 1.292 0.000 . 2 . . . . A 15 ILE HG12 . 36096 1 133 . 1 1 22 22 ILE HG13 H 1 1.292 0.000 . 2 . . . . A 15 ILE HG13 . 36096 1 134 . 1 1 22 22 ILE HG21 H 1 0.743 0.000 . 1 . . . . A 15 ILE HG21 . 36096 1 135 . 1 1 22 22 ILE HG22 H 1 0.743 0.000 . 1 . . . . A 15 ILE HG22 . 36096 1 136 . 1 1 22 22 ILE HG23 H 1 0.743 0.000 . 1 . . . . A 15 ILE HG23 . 36096 1 137 . 1 1 22 22 ILE HD11 H 1 0.323 0.000 . 1 . . . . A 15 ILE HD11 . 36096 1 138 . 1 1 22 22 ILE HD12 H 1 0.323 0.000 . 1 . . . . A 15 ILE HD12 . 36096 1 139 . 1 1 22 22 ILE HD13 H 1 0.323 0.000 . 1 . . . . A 15 ILE HD13 . 36096 1 140 . 1 1 22 22 ILE C C 13 172.847 0.000 . 1 . . . . A 15 ILE C . 36096 1 141 . 1 1 22 22 ILE CA C 13 58.634 0.035 . 1 . . . . A 15 ILE CA . 36096 1 142 . 1 1 22 22 ILE CB C 13 41.283 0.039 . 1 . . . . A 15 ILE CB . 36096 1 143 . 1 1 22 22 ILE CG1 C 13 27.515 0.000 . 1 . . . . A 15 ILE CG1 . 36096 1 144 . 1 1 22 22 ILE CD1 C 13 14.852 0.000 . 1 . . . . A 15 ILE CD1 . 36096 1 145 . 1 1 22 22 ILE N N 15 119.670 0.022 . 1 . . . . A 15 ILE N . 36096 1 146 . 1 1 23 23 LYS H H 1 8.467 0.006 . 1 . . . . A 16 LYS H . 36096 1 147 . 1 1 23 23 LYS HA H 1 5.102 0.000 . 1 . . . . A 16 LYS HA . 36096 1 148 . 1 1 23 23 LYS HB2 H 1 1.630 0.000 . 2 . . . . A 16 LYS HB2 . 36096 1 149 . 1 1 23 23 LYS HB3 H 1 1.763 0.000 . 2 . . . . A 16 LYS HB3 . 36096 1 150 . 1 1 23 23 LYS HG2 H 1 1.453 0.000 . 2 . . . . A 16 LYS HG2 . 36096 1 151 . 1 1 23 23 LYS HG3 H 1 1.261 0.000 . 2 . . . . A 16 LYS HG3 . 36096 1 152 . 1 1 23 23 LYS HE2 H 1 2.802 0.000 . 2 . . . . A 16 LYS HE2 . 36096 1 153 . 1 1 23 23 LYS HE3 H 1 2.802 0.000 . 2 . . . . A 16 LYS HE3 . 36096 1 154 . 1 1 23 23 LYS C C 13 175.673 0.000 . 1 . . . . A 16 LYS C . 36096 1 155 . 1 1 23 23 LYS CA C 13 55.115 0.026 . 1 . . . . A 16 LYS CA . 36096 1 156 . 1 1 23 23 LYS CB C 13 33.130 0.075 . 1 . . . . A 16 LYS CB . 36096 1 157 . 1 1 23 23 LYS CG C 13 24.697 0.000 . 1 . . . . A 16 LYS CG . 36096 1 158 . 1 1 23 23 LYS CD C 13 29.484 0.000 . 1 . . . . A 16 LYS CD . 36096 1 159 . 1 1 23 23 LYS CE C 13 41.485 0.000 . 1 . . . . A 16 LYS CE . 36096 1 160 . 1 1 23 23 LYS N N 15 126.208 0.029 . 1 . . . . A 16 LYS N . 36096 1 161 . 1 1 24 24 ILE H H 1 8.771 0.009 . 1 . . . . A 17 ILE H . 36096 1 162 . 1 1 24 24 ILE HA H 1 4.699 0.000 . 1 . . . . A 17 ILE HA . 36096 1 163 . 1 1 24 24 ILE HB H 1 1.503 0.000 . 1 . . . . A 17 ILE HB . 36096 1 164 . 1 1 24 24 ILE HG12 H 1 0.782 0.000 . 2 . . . . A 17 ILE HG12 . 36096 1 165 . 1 1 24 24 ILE HG13 H 1 0.782 0.000 . 2 . . . . A 17 ILE HG13 . 36096 1 166 . 1 1 24 24 ILE HG21 H 1 0.675 0.000 . 1 . . . . A 17 ILE HG21 . 36096 1 167 . 1 1 24 24 ILE HG22 H 1 0.675 0.000 . 1 . . . . A 17 ILE HG22 . 36096 1 168 . 1 1 24 24 ILE HG23 H 1 0.675 0.000 . 1 . . . . A 17 ILE HG23 . 36096 1 169 . 1 1 24 24 ILE C C 13 174.831 0.000 . 1 . . . . A 17 ILE C . 36096 1 170 . 1 1 24 24 ILE CA C 13 59.583 0.068 . 1 . . . . A 17 ILE CA . 36096 1 171 . 1 1 24 24 ILE CB C 13 43.180 0.036 . 1 . . . . A 17 ILE CB . 36096 1 172 . 1 1 24 24 ILE CG1 C 13 26.758 0.000 . 1 . . . . A 17 ILE CG1 . 36096 1 173 . 1 1 24 24 ILE CG2 C 13 18.118 0.000 . 1 . . . . A 17 ILE CG2 . 36096 1 174 . 1 1 24 24 ILE CD1 C 13 14.049 0.000 . 1 . . . . A 17 ILE CD1 . 36096 1 175 . 1 1 24 24 ILE N N 15 121.051 0.023 . 1 . . . . A 17 ILE N . 36096 1 176 . 1 1 25 25 LYS H H 1 8.396 0.004 . 1 . . . . A 18 LYS H . 36096 1 177 . 1 1 25 25 LYS HA H 1 4.933 0.000 . 1 . . . . A 18 LYS HA . 36096 1 178 . 1 1 25 25 LYS HB2 H 1 1.472 0.000 . 2 . . . . A 18 LYS HB2 . 36096 1 179 . 1 1 25 25 LYS HB3 H 1 1.362 0.000 . 2 . . . . A 18 LYS HB3 . 36096 1 180 . 1 1 25 25 LYS HG2 H 1 0.952 0.000 . 2 . . . . A 18 LYS HG2 . 36096 1 181 . 1 1 25 25 LYS HG3 H 1 0.831 0.000 . 2 . . . . A 18 LYS HG3 . 36096 1 182 . 1 1 25 25 LYS HE2 H 1 2.666 0.000 . 2 . . . . A 18 LYS HE2 . 36096 1 183 . 1 1 25 25 LYS HE3 H 1 2.666 0.000 . 2 . . . . A 18 LYS HE3 . 36096 1 184 . 1 1 25 25 LYS C C 13 173.808 0.000 . 1 . . . . A 18 LYS C . 36096 1 185 . 1 1 25 25 LYS CA C 13 54.779 0.031 . 1 . . . . A 18 LYS CA . 36096 1 186 . 1 1 25 25 LYS CB C 13 35.204 0.017 . 1 . . . . A 18 LYS CB . 36096 1 187 . 1 1 25 25 LYS CG C 13 24.755 0.000 . 1 . . . . A 18 LYS CG . 36096 1 188 . 1 1 25 25 LYS CD C 13 29.531 0.000 . 1 . . . . A 18 LYS CD . 36096 1 189 . 1 1 25 25 LYS CE C 13 41.865 0.000 . 1 . . . . A 18 LYS CE . 36096 1 190 . 1 1 25 25 LYS N N 15 123.969 0.080 . 1 . . . . A 18 LYS N . 36096 1 191 . 1 1 26 26 VAL H H 1 9.006 0.005 . 1 . . . . A 19 VAL H . 36096 1 192 . 1 1 26 26 VAL HA H 1 4.969 0.000 . 1 . . . . A 19 VAL HA . 36096 1 193 . 1 1 26 26 VAL HB H 1 1.963 0.000 . 1 . . . . A 19 VAL HB . 36096 1 194 . 1 1 26 26 VAL HG11 H 1 0.158 0.000 . 2 . . . . A 19 VAL HG11 . 36096 1 195 . 1 1 26 26 VAL HG12 H 1 0.158 0.000 . 2 . . . . A 19 VAL HG12 . 36096 1 196 . 1 1 26 26 VAL HG13 H 1 0.158 0.000 . 2 . . . . A 19 VAL HG13 . 36096 1 197 . 1 1 26 26 VAL HG21 H 1 0.694 0.000 . 2 . . . . A 19 VAL HG21 . 36096 1 198 . 1 1 26 26 VAL HG22 H 1 0.694 0.000 . 2 . . . . A 19 VAL HG22 . 36096 1 199 . 1 1 26 26 VAL HG23 H 1 0.694 0.000 . 2 . . . . A 19 VAL HG23 . 36096 1 200 . 1 1 26 26 VAL C C 13 175.534 0.000 . 1 . . . . A 19 VAL C . 36096 1 201 . 1 1 26 26 VAL CA C 13 60.969 0.041 . 1 . . . . A 19 VAL CA . 36096 1 202 . 1 1 26 26 VAL CB C 13 32.773 0.026 . 1 . . . . A 19 VAL CB . 36096 1 203 . 1 1 26 26 VAL CG1 C 13 22.811 0.000 . 1 . . . . A 19 VAL CG1 . 36096 1 204 . 1 1 26 26 VAL CG2 C 13 22.834 0.000 . 1 . . . . A 19 VAL CG2 . 36096 1 205 . 1 1 26 26 VAL N N 15 123.943 0.023 . 1 . . . . A 19 VAL N . 36096 1 206 . 1 1 27 27 VAL H H 1 8.915 0.006 . 1 . . . . A 20 VAL H . 36096 1 207 . 1 1 27 27 VAL HA H 1 4.675 0.000 . 1 . . . . A 20 VAL HA . 36096 1 208 . 1 1 27 27 VAL HB H 1 1.828 0.000 . 1 . . . . A 20 VAL HB . 36096 1 209 . 1 1 27 27 VAL HG11 H 1 0.871 0.000 . 2 . . . . A 20 VAL HG11 . 36096 1 210 . 1 1 27 27 VAL HG12 H 1 0.871 0.000 . 2 . . . . A 20 VAL HG12 . 36096 1 211 . 1 1 27 27 VAL HG13 H 1 0.871 0.000 . 2 . . . . A 20 VAL HG13 . 36096 1 212 . 1 1 27 27 VAL HG21 H 1 0.874 0.000 . 2 . . . . A 20 VAL HG21 . 36096 1 213 . 1 1 27 27 VAL HG22 H 1 0.874 0.000 . 2 . . . . A 20 VAL HG22 . 36096 1 214 . 1 1 27 27 VAL HG23 H 1 0.874 0.000 . 2 . . . . A 20 VAL HG23 . 36096 1 215 . 1 1 27 27 VAL C C 13 175.223 0.000 . 1 . . . . A 20 VAL C . 36096 1 216 . 1 1 27 27 VAL CA C 13 60.901 0.048 . 1 . . . . A 20 VAL CA . 36096 1 217 . 1 1 27 27 VAL CB C 13 34.494 0.058 . 1 . . . . A 20 VAL CB . 36096 1 218 . 1 1 27 27 VAL CG1 C 13 21.409 0.000 . 1 . . . . A 20 VAL CG1 . 36096 1 219 . 1 1 27 27 VAL CG2 C 13 20.714 0.000 . 1 . . . . A 20 VAL CG2 . 36096 1 220 . 1 1 27 27 VAL N N 15 126.675 0.033 . 1 . . . . A 20 VAL N . 36096 1 221 . 1 1 28 28 GLY H H 1 8.267 0.004 . 1 . . . . A 21 GLY H . 36096 1 222 . 1 1 28 28 GLY HA2 H 1 4.705 0.000 . 2 . . . . A 21 GLY HA2 . 36096 1 223 . 1 1 28 28 GLY HA3 H 1 3.782 0.000 . 2 . . . . A 21 GLY HA3 . 36096 1 224 . 1 1 28 28 GLY C C 13 175.287 0.000 . 1 . . . . A 21 GLY C . 36096 1 225 . 1 1 28 28 GLY CA C 13 44.110 0.014 . 1 . . . . A 21 GLY CA . 36096 1 226 . 1 1 28 28 GLY N N 15 113.763 0.013 . 1 . . . . A 21 GLY N . 36096 1 227 . 1 1 29 29 GLN H H 1 8.631 0.003 . 1 . . . . A 22 GLN H . 36096 1 228 . 1 1 29 29 GLN HA H 1 4.089 0.000 . 1 . . . . A 22 GLN HA . 36096 1 229 . 1 1 29 29 GLN HB2 H 1 2.128 0.000 . 2 . . . . A 22 GLN HB2 . 36096 1 230 . 1 1 29 29 GLN HB3 H 1 2.010 0.000 . 2 . . . . A 22 GLN HB3 . 36096 1 231 . 1 1 29 29 GLN HG2 H 1 2.373 0.000 . 2 . . . . A 22 GLN HG2 . 36096 1 232 . 1 1 29 29 GLN HG3 H 1 2.373 0.000 . 2 . . . . A 22 GLN HG3 . 36096 1 233 . 1 1 29 29 GLN C C 13 176.066 0.000 . 1 . . . . A 22 GLN C . 36096 1 234 . 1 1 29 29 GLN CA C 13 57.414 0.041 . 1 . . . . A 22 GLN CA . 36096 1 235 . 1 1 29 29 GLN CB C 13 28.812 0.077 . 1 . . . . A 22 GLN CB . 36096 1 236 . 1 1 29 29 GLN CG C 13 34.355 0.000 . 1 . . . . A 22 GLN CG . 36096 1 237 . 1 1 29 29 GLN N N 15 119.877 0.014 . 1 . . . . A 22 GLN N . 36096 1 238 . 1 1 30 30 ASP H H 1 8.301 0.005 . 1 . . . . A 23 ASP H . 36096 1 239 . 1 1 30 30 ASP HA H 1 4.490 0.000 . 1 . . . . A 23 ASP HA . 36096 1 240 . 1 1 30 30 ASP HB2 H 1 2.825 0.000 . 2 . . . . A 23 ASP HB2 . 36096 1 241 . 1 1 30 30 ASP HB3 H 1 2.633 0.000 . 2 . . . . A 23 ASP HB3 . 36096 1 242 . 1 1 30 30 ASP C C 13 176.077 0.000 . 1 . . . . A 23 ASP C . 36096 1 243 . 1 1 30 30 ASP CA C 13 53.676 0.063 . 1 . . . . A 23 ASP CA . 36096 1 244 . 1 1 30 30 ASP CB C 13 40.092 0.019 . 1 . . . . A 23 ASP CB . 36096 1 245 . 1 1 30 30 ASP N N 15 118.428 0.019 . 1 . . . . A 23 ASP N . 36096 1 246 . 1 1 31 31 SER H H 1 7.950 0.003 . 1 . . . . A 24 SER H . 36096 1 247 . 1 1 31 31 SER HB2 H 1 4.037 0.000 . 2 . . . . A 24 SER HB2 . 36096 1 248 . 1 1 31 31 SER HB3 H 1 3.942 0.000 . 2 . . . . A 24 SER HB3 . 36096 1 249 . 1 1 31 31 SER C C 13 173.419 0.000 . 1 . . . . A 24 SER C . 36096 1 250 . 1 1 31 31 SER CA C 13 59.924 0.048 . 1 . . . . A 24 SER CA . 36096 1 251 . 1 1 31 31 SER CB C 13 62.478 0.025 . 1 . . . . A 24 SER CB . 36096 1 252 . 1 1 31 31 SER N N 15 110.549 0.021 . 1 . . . . A 24 SER N . 36096 1 253 . 1 1 32 32 ASN H H 1 8.009 0.005 . 1 . . . . A 25 ASN H . 36096 1 254 . 1 1 32 32 ASN HA H 1 4.654 0.000 . 1 . . . . A 25 ASN HA . 36096 1 255 . 1 1 32 32 ASN HB2 H 1 2.693 0.000 . 2 . . . . A 25 ASN HB2 . 36096 1 256 . 1 1 32 32 ASN HB3 H 1 2.688 0.000 . 2 . . . . A 25 ASN HB3 . 36096 1 257 . 1 1 32 32 ASN C C 13 174.600 0.000 . 1 . . . . A 25 ASN C . 36096 1 258 . 1 1 32 32 ASN CA C 13 53.621 0.067 . 1 . . . . A 25 ASN CA . 36096 1 259 . 1 1 32 32 ASN CB C 13 38.940 0.010 . 1 . . . . A 25 ASN CB . 36096 1 260 . 1 1 32 32 ASN N N 15 119.814 0.014 . 1 . . . . A 25 ASN N . 36096 1 261 . 1 1 33 33 GLU H H 1 8.585 0.002 . 1 . . . . A 26 GLU H . 36096 1 262 . 1 1 33 33 GLU HA H 1 4.975 0.000 . 1 . . . . A 26 GLU HA . 36096 1 263 . 1 1 33 33 GLU HB2 H 1 1.920 0.000 . 2 . . . . A 26 GLU HB2 . 36096 1 264 . 1 1 33 33 GLU HB3 H 1 1.712 0.000 . 2 . . . . A 26 GLU HB3 . 36096 1 265 . 1 1 33 33 GLU HG2 H 1 2.213 0.000 . 2 . . . . A 26 GLU HG2 . 36096 1 266 . 1 1 33 33 GLU HG3 H 1 2.028 0.000 . 2 . . . . A 26 GLU HG3 . 36096 1 267 . 1 1 33 33 GLU C C 13 175.391 0.000 . 1 . . . . A 26 GLU C . 36096 1 268 . 1 1 33 33 GLU CA C 13 55.282 0.027 . 1 . . . . A 26 GLU CA . 36096 1 269 . 1 1 33 33 GLU CB C 13 32.298 0.042 . 1 . . . . A 26 GLU CB . 36096 1 270 . 1 1 33 33 GLU CG C 13 35.923 0.000 . 1 . . . . A 26 GLU CG . 36096 1 271 . 1 1 33 33 GLU N N 15 123.151 0.035 . 1 . . . . A 26 GLU N . 36096 1 272 . 1 1 34 34 VAL H H 1 8.910 0.003 . 1 . . . . A 27 VAL H . 36096 1 273 . 1 1 34 34 VAL HA H 1 4.135 0.000 . 1 . . . . A 27 VAL HA . 36096 1 274 . 1 1 34 34 VAL HG11 H 1 0.846 0.000 . 2 . . . . A 27 VAL HG11 . 36096 1 275 . 1 1 34 34 VAL HG12 H 1 0.846 0.000 . 2 . . . . A 27 VAL HG12 . 36096 1 276 . 1 1 34 34 VAL HG13 H 1 0.846 0.000 . 2 . . . . A 27 VAL HG13 . 36096 1 277 . 1 1 34 34 VAL HG21 H 1 0.503 0.000 . 2 . . . . A 27 VAL HG21 . 36096 1 278 . 1 1 34 34 VAL HG22 H 1 0.503 0.000 . 2 . . . . A 27 VAL HG22 . 36096 1 279 . 1 1 34 34 VAL HG23 H 1 0.503 0.000 . 2 . . . . A 27 VAL HG23 . 36096 1 280 . 1 1 34 34 VAL CA C 13 61.440 0.037 . 1 . . . . A 27 VAL CA . 36096 1 281 . 1 1 34 34 VAL CB C 13 34.602 0.050 . 1 . . . . A 27 VAL CB . 36096 1 282 . 1 1 34 34 VAL CG1 C 13 21.699 0.000 . 1 . . . . A 27 VAL CG1 . 36096 1 283 . 1 1 34 34 VAL CG2 C 13 22.510 0.000 . 1 . . . . A 27 VAL CG2 . 36096 1 284 . 1 1 34 34 VAL N N 15 124.123 0.020 . 1 . . . . A 27 VAL N . 36096 1 285 . 1 1 35 35 HIS H H 1 8.669 0.004 . 1 . . . . A 28 HIS H . 36096 1 286 . 1 1 35 35 HIS HA H 1 5.109 0.000 . 1 . . . . A 28 HIS HA . 36096 1 287 . 1 1 35 35 HIS HB2 H 1 2.943 0.000 . 2 . . . . A 28 HIS HB2 . 36096 1 288 . 1 1 35 35 HIS HB3 H 1 3.068 0.000 . 2 . . . . A 28 HIS HB3 . 36096 1 289 . 1 1 35 35 HIS HD2 H 1 6.835 0.000 . 1 . . . . A 28 HIS HD2 . 36096 1 290 . 1 1 35 35 HIS C C 13 174.308 0.000 . 1 . . . . A 28 HIS C . 36096 1 291 . 1 1 35 35 HIS CA C 13 55.126 0.072 . 1 . . . . A 28 HIS CA . 36096 1 292 . 1 1 35 35 HIS CB C 13 31.009 0.078 . 1 . . . . A 28 HIS CB . 36096 1 293 . 1 1 35 35 HIS CD2 C 13 117.534 0.000 . 1 . . . . A 28 HIS CD2 . 36096 1 294 . 1 1 35 35 HIS N N 15 125.490 0.032 . 1 . . . . A 28 HIS N . 36096 1 295 . 1 1 36 36 PHE H H 1 9.022 0.006 . 1 . . . . A 29 PHE H . 36096 1 296 . 1 1 36 36 PHE HA H 1 4.847 0.000 . 1 . . . . A 29 PHE HA . 36096 1 297 . 1 1 36 36 PHE HB2 H 1 2.542 0.000 . 2 . . . . A 29 PHE HB2 . 36096 1 298 . 1 1 36 36 PHE HB3 H 1 2.943 0.000 . 2 . . . . A 29 PHE HB3 . 36096 1 299 . 1 1 36 36 PHE HD1 H 1 7.144 0.000 . 3 . . . . A 29 PHE HD1 . 36096 1 300 . 1 1 36 36 PHE HD2 H 1 7.144 0.000 . 3 . . . . A 29 PHE HD2 . 36096 1 301 . 1 1 36 36 PHE C C 13 174.384 0.000 . 1 . . . . A 29 PHE C . 36096 1 302 . 1 1 36 36 PHE CA C 13 57.037 0.031 . 1 . . . . A 29 PHE CA . 36096 1 303 . 1 1 36 36 PHE CB C 13 43.905 0.024 . 1 . . . . A 29 PHE CB . 36096 1 304 . 1 1 36 36 PHE CD1 C 13 132.071 0.000 . 3 . . . . A 29 PHE CD1 . 36096 1 305 . 1 1 36 36 PHE CD2 C 13 132.071 0.000 . 3 . . . . A 29 PHE CD2 . 36096 1 306 . 1 1 36 36 PHE N N 15 120.173 0.025 . 1 . . . . A 29 PHE N . 36096 1 307 . 1 1 37 37 ARG H H 1 8.806 0.003 . 1 . . . . A 30 ARG H . 36096 1 308 . 1 1 37 37 ARG HA H 1 5.316 0.000 . 1 . . . . A 30 ARG HA . 36096 1 309 . 1 1 37 37 ARG HB2 H 1 1.498 0.000 . 2 . . . . A 30 ARG HB2 . 36096 1 310 . 1 1 37 37 ARG HB3 H 1 1.695 0.000 . 2 . . . . A 30 ARG HB3 . 36096 1 311 . 1 1 37 37 ARG HG2 H 1 1.318 0.000 . 2 . . . . A 30 ARG HG2 . 36096 1 312 . 1 1 37 37 ARG HG3 H 1 1.203 0.000 . 2 . . . . A 30 ARG HG3 . 36096 1 313 . 1 1 37 37 ARG HD2 H 1 2.870 0.000 . 2 . . . . A 30 ARG HD2 . 36096 1 314 . 1 1 37 37 ARG HD3 H 1 2.870 0.000 . 2 . . . . A 30 ARG HD3 . 36096 1 315 . 1 1 37 37 ARG C C 13 175.793 0.000 . 1 . . . . A 30 ARG C . 36096 1 316 . 1 1 37 37 ARG CA C 13 55.791 0.066 . 1 . . . . A 30 ARG CA . 36096 1 317 . 1 1 37 37 ARG CB C 13 30.940 0.021 . 1 . . . . A 30 ARG CB . 36096 1 318 . 1 1 37 37 ARG CG C 13 28.372 0.000 . 1 . . . . A 30 ARG CG . 36096 1 319 . 1 1 37 37 ARG CD C 13 43.230 0.000 . 1 . . . . A 30 ARG CD . 36096 1 320 . 1 1 37 37 ARG N N 15 125.005 0.033 . 1 . . . . A 30 ARG N . 36096 1 321 . 1 1 38 38 VAL H H 1 8.772 0.010 . 1 . . . . A 31 VAL H . 36096 1 322 . 1 1 38 38 VAL HA H 1 5.012 0.000 . 1 . . . . A 31 VAL HA . 36096 1 323 . 1 1 38 38 VAL HB H 1 2.332 0.000 . 1 . . . . A 31 VAL HB . 36096 1 324 . 1 1 38 38 VAL HG11 H 1 0.893 0.000 . 2 . . . . A 31 VAL HG11 . 36096 1 325 . 1 1 38 38 VAL HG12 H 1 0.893 0.000 . 2 . . . . A 31 VAL HG12 . 36096 1 326 . 1 1 38 38 VAL HG13 H 1 0.893 0.000 . 2 . . . . A 31 VAL HG13 . 36096 1 327 . 1 1 38 38 VAL HG21 H 1 0.567 0.000 . 2 . . . . A 31 VAL HG21 . 36096 1 328 . 1 1 38 38 VAL HG22 H 1 0.567 0.000 . 2 . . . . A 31 VAL HG22 . 36096 1 329 . 1 1 38 38 VAL HG23 H 1 0.567 0.000 . 2 . . . . A 31 VAL HG23 . 36096 1 330 . 1 1 38 38 VAL C C 13 174.603 0.000 . 1 . . . . A 31 VAL C . 36096 1 331 . 1 1 38 38 VAL CA C 13 58.365 0.050 . 1 . . . . A 31 VAL CA . 36096 1 332 . 1 1 38 38 VAL CB C 13 35.711 0.026 . 1 . . . . A 31 VAL CB . 36096 1 333 . 1 1 38 38 VAL CG1 C 13 22.287 0.000 . 1 . . . . A 31 VAL CG1 . 36096 1 334 . 1 1 38 38 VAL CG2 C 13 18.317 0.000 . 1 . . . . A 31 VAL CG2 . 36096 1 335 . 1 1 38 38 VAL N N 15 118.359 0.022 . 1 . . . . A 31 VAL N . 36096 1 336 . 1 1 39 39 LYS H H 1 8.387 0.003 . 1 . . . . A 32 LYS H . 36096 1 337 . 1 1 39 39 LYS HA H 1 4.318 0.000 . 1 . . . . A 32 LYS HA . 36096 1 338 . 1 1 39 39 LYS HB2 H 1 1.566 0.000 . 2 . . . . A 32 LYS HB2 . 36096 1 339 . 1 1 39 39 LYS HB3 H 1 1.814 0.000 . 2 . . . . A 32 LYS HB3 . 36096 1 340 . 1 1 39 39 LYS HG2 H 1 1.191 0.000 . 2 . . . . A 32 LYS HG2 . 36096 1 341 . 1 1 39 39 LYS HG3 H 1 0.625 0.000 . 2 . . . . A 32 LYS HG3 . 36096 1 342 . 1 1 39 39 LYS HD2 H 1 1.356 0.000 . 2 . . . . A 32 LYS HD2 . 36096 1 343 . 1 1 39 39 LYS HD3 H 1 1.356 0.000 . 2 . . . . A 32 LYS HD3 . 36096 1 344 . 1 1 39 39 LYS C C 13 179.542 0.000 . 1 . . . . A 32 LYS C . 36096 1 345 . 1 1 39 39 LYS CA C 13 56.604 0.039 . 1 . . . . A 32 LYS CA . 36096 1 346 . 1 1 39 39 LYS CB C 13 32.736 0.016 . 1 . . . . A 32 LYS CB . 36096 1 347 . 1 1 39 39 LYS CG C 13 26.199 0.000 . 1 . . . . A 32 LYS CG . 36096 1 348 . 1 1 39 39 LYS CD C 13 29.280 0.000 . 1 . . . . A 32 LYS CD . 36096 1 349 . 1 1 39 39 LYS N N 15 120.648 0.019 . 1 . . . . A 32 LYS N . 36096 1 350 . 1 1 40 40 TYR H H 1 8.341 0.005 . 1 . . . . A 33 TYR H . 36096 1 351 . 1 1 40 40 TYR HA H 1 3.790 0.000 . 1 . . . . A 33 TYR HA . 36096 1 352 . 1 1 40 40 TYR HB2 H 1 2.793 0.000 . 2 . . . . A 33 TYR HB2 . 36096 1 353 . 1 1 40 40 TYR HB3 H 1 2.735 0.000 . 2 . . . . A 33 TYR HB3 . 36096 1 354 . 1 1 40 40 TYR HD1 H 1 6.813 0.000 . 3 . . . . A 33 TYR HD1 . 36096 1 355 . 1 1 40 40 TYR HD2 H 1 6.813 0.000 . 3 . . . . A 33 TYR HD2 . 36096 1 356 . 1 1 40 40 TYR C C 13 175.399 0.000 . 1 . . . . A 33 TYR C . 36096 1 357 . 1 1 40 40 TYR CA C 13 62.325 0.060 . 1 . . . . A 33 TYR CA . 36096 1 358 . 1 1 40 40 TYR CB C 13 38.852 0.059 . 1 . . . . A 33 TYR CB . 36096 1 359 . 1 1 40 40 TYR CD1 C 13 131.657 0.000 . 3 . . . . A 33 TYR CD1 . 36096 1 360 . 1 1 40 40 TYR CD2 C 13 131.657 0.000 . 3 . . . . A 33 TYR CD2 . 36096 1 361 . 1 1 40 40 TYR N N 15 121.385 0.032 . 1 . . . . A 33 TYR N . 36096 1 362 . 1 1 41 41 GLY H H 1 7.699 0.003 . 1 . . . . A 34 GLY H . 36096 1 363 . 1 1 41 41 GLY HA2 H 1 4.320 0.000 . 2 . . . . A 34 GLY HA2 . 36096 1 364 . 1 1 41 41 GLY HA3 H 1 3.528 0.000 . 2 . . . . A 34 GLY HA3 . 36096 1 365 . 1 1 41 41 GLY C C 13 174.590 0.000 . 1 . . . . A 34 GLY C . 36096 1 366 . 1 1 41 41 GLY CA C 13 44.385 0.060 . 1 . . . . A 34 GLY CA . 36096 1 367 . 1 1 41 41 GLY N N 15 100.380 0.044 . 1 . . . . A 34 GLY N . 36096 1 368 . 1 1 42 42 THR H H 1 7.292 0.005 . 1 . . . . A 35 THR H . 36096 1 369 . 1 1 42 42 THR HA H 1 3.876 0.000 . 1 . . . . A 35 THR HA . 36096 1 370 . 1 1 42 42 THR HB H 1 3.772 0.000 . 1 . . . . A 35 THR HB . 36096 1 371 . 1 1 42 42 THR HG21 H 1 1.194 0.000 . 1 . . . . A 35 THR HG21 . 36096 1 372 . 1 1 42 42 THR HG22 H 1 1.194 0.000 . 1 . . . . A 35 THR HG22 . 36096 1 373 . 1 1 42 42 THR HG23 H 1 1.194 0.000 . 1 . . . . A 35 THR HG23 . 36096 1 374 . 1 1 42 42 THR C C 13 172.249 0.000 . 1 . . . . A 35 THR C . 36096 1 375 . 1 1 42 42 THR CA C 13 64.052 0.108 . 1 . . . . A 35 THR CA . 36096 1 376 . 1 1 42 42 THR CB C 13 69.954 0.026 . 1 . . . . A 35 THR CB . 36096 1 377 . 1 1 42 42 THR CG2 C 13 21.367 0.000 . 1 . . . . A 35 THR CG2 . 36096 1 378 . 1 1 42 42 THR N N 15 119.180 0.020 . 1 . . . . A 35 THR N . 36096 1 379 . 1 1 43 43 SER H H 1 8.185 0.003 . 1 . . . . A 36 SER H . 36096 1 380 . 1 1 43 43 SER HA H 1 4.486 0.000 . 1 . . . . A 36 SER HA . 36096 1 381 . 1 1 43 43 SER HB2 H 1 4.283 0.000 . 2 . . . . A 36 SER HB2 . 36096 1 382 . 1 1 43 43 SER HB3 H 1 3.959 0.000 . 2 . . . . A 36 SER HB3 . 36096 1 383 . 1 1 43 43 SER C C 13 176.622 0.000 . 1 . . . . A 36 SER C . 36096 1 384 . 1 1 43 43 SER CA C 13 58.150 0.028 . 1 . . . . A 36 SER CA . 36096 1 385 . 1 1 43 43 SER CB C 13 64.135 0.031 . 1 . . . . A 36 SER CB . 36096 1 386 . 1 1 43 43 SER N N 15 119.883 0.023 . 1 . . . . A 36 SER N . 36096 1 387 . 1 1 44 44 MET H H 1 8.819 0.004 . 1 . . . . A 37 MET H . 36096 1 388 . 1 1 44 44 MET HA H 1 4.285 0.000 . 1 . . . . A 37 MET HA . 36096 1 389 . 1 1 44 44 MET HB2 H 1 2.124 0.000 . 2 . . . . A 37 MET HB2 . 36096 1 390 . 1 1 44 44 MET HB3 H 1 2.117 0.000 . 2 . . . . A 37 MET HB3 . 36096 1 391 . 1 1 44 44 MET HG2 H 1 2.308 0.000 . 2 . . . . A 37 MET HG2 . 36096 1 392 . 1 1 44 44 MET HG3 H 1 2.436 0.000 . 2 . . . . A 37 MET HG3 . 36096 1 393 . 1 1 44 44 MET C C 13 178.447 0.000 . 1 . . . . A 37 MET C . 36096 1 394 . 1 1 44 44 MET CA C 13 56.351 0.019 . 1 . . . . A 37 MET CA . 36096 1 395 . 1 1 44 44 MET CB C 13 31.675 0.037 . 1 . . . . A 37 MET CB . 36096 1 396 . 1 1 44 44 MET CG C 13 34.191 0.000 . 1 . . . . A 37 MET CG . 36096 1 397 . 1 1 44 44 MET N N 15 123.132 0.022 . 1 . . . . A 37 MET N . 36096 1 398 . 1 1 45 45 ALA H H 1 8.560 0.004 . 1 . . . . A 38 ALA H . 36096 1 399 . 1 1 45 45 ALA HA H 1 3.688 0.000 . 1 . . . . A 38 ALA HA . 36096 1 400 . 1 1 45 45 ALA HB1 H 1 1.322 0.000 . 1 . . . . A 38 ALA HB1 . 36096 1 401 . 1 1 45 45 ALA HB2 H 1 1.322 0.000 . 1 . . . . A 38 ALA HB2 . 36096 1 402 . 1 1 45 45 ALA HB3 H 1 1.322 0.000 . 1 . . . . A 38 ALA HB3 . 36096 1 403 . 1 1 45 45 ALA C C 13 180.159 0.000 . 1 . . . . A 38 ALA C . 36096 1 404 . 1 1 45 45 ALA CA C 13 55.734 0.016 . 1 . . . . A 38 ALA CA . 36096 1 405 . 1 1 45 45 ALA CB C 13 18.492 0.022 . 1 . . . . A 38 ALA CB . 36096 1 406 . 1 1 45 45 ALA N N 15 122.484 0.031 . 1 . . . . A 38 ALA N . 36096 1 407 . 1 1 46 46 LYS H H 1 7.505 0.004 . 1 . . . . A 39 LYS H . 36096 1 408 . 1 1 46 46 LYS HA H 1 3.919 0.000 . 1 . . . . A 39 LYS HA . 36096 1 409 . 1 1 46 46 LYS HB2 H 1 1.858 0.000 . 2 . . . . A 39 LYS HB2 . 36096 1 410 . 1 1 46 46 LYS HB3 H 1 1.830 0.000 . 2 . . . . A 39 LYS HB3 . 36096 1 411 . 1 1 46 46 LYS HG2 H 1 1.443 0.000 . 2 . . . . A 39 LYS HG2 . 36096 1 412 . 1 1 46 46 LYS HG3 H 1 1.353 0.000 . 2 . . . . A 39 LYS HG3 . 36096 1 413 . 1 1 46 46 LYS HD2 H 1 1.695 0.000 . 2 . . . . A 39 LYS HD2 . 36096 1 414 . 1 1 46 46 LYS HD3 H 1 1.678 0.000 . 2 . . . . A 39 LYS HD3 . 36096 1 415 . 1 1 46 46 LYS HE2 H 1 2.950 0.000 . 2 . . . . A 39 LYS HE2 . 36096 1 416 . 1 1 46 46 LYS HE3 H 1 2.950 0.000 . 2 . . . . A 39 LYS HE3 . 36096 1 417 . 1 1 46 46 LYS C C 13 179.099 0.000 . 1 . . . . A 39 LYS C . 36096 1 418 . 1 1 46 46 LYS CA C 13 58.898 0.099 . 1 . . . . A 39 LYS CA . 36096 1 419 . 1 1 46 46 LYS CB C 13 31.782 0.013 . 1 . . . . A 39 LYS CB . 36096 1 420 . 1 1 46 46 LYS CG C 13 25.435 0.000 . 1 . . . . A 39 LYS CG . 36096 1 421 . 1 1 46 46 LYS CD C 13 28.980 0.000 . 1 . . . . A 39 LYS CD . 36096 1 422 . 1 1 46 46 LYS CE C 13 42.257 0.000 . 1 . . . . A 39 LYS CE . 36096 1 423 . 1 1 46 46 LYS N N 15 117.041 0.016 . 1 . . . . A 39 LYS N . 36096 1 424 . 1 1 47 47 LEU H H 1 7.119 0.007 . 1 . . . . A 40 LEU H . 36096 1 425 . 1 1 47 47 LEU HA H 1 3.696 0.000 . 1 . . . . A 40 LEU HA . 36096 1 426 . 1 1 47 47 LEU HB2 H 1 1.320 0.000 . 2 . . . . A 40 LEU HB2 . 36096 1 427 . 1 1 47 47 LEU HB3 H 1 1.433 0.000 . 2 . . . . A 40 LEU HB3 . 36096 1 428 . 1 1 47 47 LEU HG H 1 0.938 0.000 . 1 . . . . A 40 LEU HG . 36096 1 429 . 1 1 47 47 LEU HD21 H 1 0.232 0.000 . 2 . . . . A 40 LEU HD21 . 36096 1 430 . 1 1 47 47 LEU HD22 H 1 0.232 0.000 . 2 . . . . A 40 LEU HD22 . 36096 1 431 . 1 1 47 47 LEU HD23 H 1 0.232 0.000 . 2 . . . . A 40 LEU HD23 . 36096 1 432 . 1 1 47 47 LEU C C 13 178.181 0.000 . 1 . . . . A 40 LEU C . 36096 1 433 . 1 1 47 47 LEU CA C 13 58.269 0.096 . 1 . . . . A 40 LEU CA . 36096 1 434 . 1 1 47 47 LEU CB C 13 41.585 0.048 . 1 . . . . A 40 LEU CB . 36096 1 435 . 1 1 47 47 LEU CG C 13 27.404 0.000 . 1 . . . . A 40 LEU CG . 36096 1 436 . 1 1 47 47 LEU CD1 C 13 19.081 0.000 . 1 . . . . A 40 LEU CD1 . 36096 1 437 . 1 1 47 47 LEU CD2 C 13 24.786 0.000 . 1 . . . . A 40 LEU CD2 . 36096 1 438 . 1 1 47 47 LEU N N 15 122.444 0.031 . 1 . . . . A 40 LEU N . 36096 1 439 . 1 1 48 48 LYS H H 1 8.347 0.004 . 1 . . . . A 41 LYS H . 36096 1 440 . 1 1 48 48 LYS HA H 1 3.294 0.000 . 1 . . . . A 41 LYS HA . 36096 1 441 . 1 1 48 48 LYS HB2 H 1 1.439 0.000 . 2 . . . . A 41 LYS HB2 . 36096 1 442 . 1 1 48 48 LYS HB3 H 1 1.188 0.000 . 2 . . . . A 41 LYS HB3 . 36096 1 443 . 1 1 48 48 LYS HG2 H 1 -0.613 0.000 . 2 . . . . A 41 LYS HG2 . 36096 1 444 . 1 1 48 48 LYS HG3 H 1 -0.613 0.000 . 2 . . . . A 41 LYS HG3 . 36096 1 445 . 1 1 48 48 LYS HD2 H 1 0.752 0.000 . 2 . . . . A 41 LYS HD2 . 36096 1 446 . 1 1 48 48 LYS HD3 H 1 0.752 0.000 . 2 . . . . A 41 LYS HD3 . 36096 1 447 . 1 1 48 48 LYS C C 13 178.059 0.000 . 1 . . . . A 41 LYS C . 36096 1 448 . 1 1 48 48 LYS CA C 13 59.786 0.022 . 1 . . . . A 41 LYS CA . 36096 1 449 . 1 1 48 48 LYS CB C 13 32.629 0.009 . 1 . . . . A 41 LYS CB . 36096 1 450 . 1 1 48 48 LYS CG C 13 23.939 0.000 . 1 . . . . A 41 LYS CG . 36096 1 451 . 1 1 48 48 LYS CD C 13 30.002 0.000 . 1 . . . . A 41 LYS CD . 36096 1 452 . 1 1 48 48 LYS N N 15 118.228 0.031 . 1 . . . . A 41 LYS N . 36096 1 453 . 1 1 49 49 LYS H H 1 7.375 0.004 . 1 . . . . A 42 LYS H . 36096 1 454 . 1 1 49 49 LYS HA H 1 3.865 0.000 . 1 . . . . A 42 LYS HA . 36096 1 455 . 1 1 49 49 LYS HB2 H 1 1.825 0.000 . 2 . . . . A 42 LYS HB2 . 36096 1 456 . 1 1 49 49 LYS HB3 H 1 1.903 0.000 . 2 . . . . A 42 LYS HB3 . 36096 1 457 . 1 1 49 49 LYS HG2 H 1 1.430 0.000 . 2 . . . . A 42 LYS HG2 . 36096 1 458 . 1 1 49 49 LYS HG3 H 1 1.513 0.000 . 2 . . . . A 42 LYS HG3 . 36096 1 459 . 1 1 49 49 LYS HE2 H 1 2.982 0.000 . 2 . . . . A 42 LYS HE2 . 36096 1 460 . 1 1 49 49 LYS HE3 H 1 2.982 0.000 . 2 . . . . A 42 LYS HE3 . 36096 1 461 . 1 1 49 49 LYS C C 13 177.782 0.000 . 1 . . . . A 42 LYS C . 36096 1 462 . 1 1 49 49 LYS CA C 13 58.901 0.024 . 1 . . . . A 42 LYS CA . 36096 1 463 . 1 1 49 49 LYS CB C 13 32.085 0.027 . 1 . . . . A 42 LYS CB . 36096 1 464 . 1 1 49 49 LYS CG C 13 24.917 0.000 . 1 . . . . A 42 LYS CG . 36096 1 465 . 1 1 49 49 LYS CD C 13 28.482 0.000 . 1 . . . . A 42 LYS CD . 36096 1 466 . 1 1 49 49 LYS N N 15 117.861 0.014 . 1 . . . . A 42 LYS N . 36096 1 467 . 1 1 50 50 SER H H 1 8.008 0.004 . 1 . . . . A 43 SER H . 36096 1 468 . 1 1 50 50 SER HA H 1 4.309 0.000 . 1 . . . . A 43 SER HA . 36096 1 469 . 1 1 50 50 SER HB2 H 1 3.967 0.000 . 2 . . . . A 43 SER HB2 . 36096 1 470 . 1 1 50 50 SER HB3 H 1 3.967 0.000 . 2 . . . . A 43 SER HB3 . 36096 1 471 . 1 1 50 50 SER C C 13 177.301 0.000 . 1 . . . . A 43 SER C . 36096 1 472 . 1 1 50 50 SER CA C 13 62.053 0.059 . 1 . . . . A 43 SER CA . 36096 1 473 . 1 1 50 50 SER CB C 13 62.943 0.042 . 1 . . . . A 43 SER CB . 36096 1 474 . 1 1 50 50 SER N N 15 114.623 0.015 . 1 . . . . A 43 SER N . 36096 1 475 . 1 1 51 51 TYR H H 1 8.707 0.007 . 1 . . . . A 44 TYR H . 36096 1 476 . 1 1 51 51 TYR HA H 1 4.011 0.000 . 1 . . . . A 44 TYR HA . 36096 1 477 . 1 1 51 51 TYR HB2 H 1 3.265 0.000 . 2 . . . . A 44 TYR HB2 . 36096 1 478 . 1 1 51 51 TYR HB3 H 1 3.006 0.000 . 2 . . . . A 44 TYR HB3 . 36096 1 479 . 1 1 51 51 TYR HD1 H 1 6.872 0.000 . 3 . . . . A 44 TYR HD1 . 36096 1 480 . 1 1 51 51 TYR HD2 H 1 6.872 0.000 . 3 . . . . A 44 TYR HD2 . 36096 1 481 . 1 1 51 51 TYR HE1 H 1 6.570 0.000 . 3 . . . . A 44 TYR HE1 . 36096 1 482 . 1 1 51 51 TYR HE2 H 1 6.570 0.000 . 3 . . . . A 44 TYR HE2 . 36096 1 483 . 1 1 51 51 TYR C C 13 177.832 0.000 . 1 . . . . A 44 TYR C . 36096 1 484 . 1 1 51 51 TYR CA C 13 63.328 0.043 . 1 . . . . A 44 TYR CA . 36096 1 485 . 1 1 51 51 TYR CB C 13 38.598 0.035 . 1 . . . . A 44 TYR CB . 36096 1 486 . 1 1 51 51 TYR CD1 C 13 131.621 0.000 . 3 . . . . A 44 TYR CD1 . 36096 1 487 . 1 1 51 51 TYR CD2 C 13 131.621 0.000 . 3 . . . . A 44 TYR CD2 . 36096 1 488 . 1 1 51 51 TYR CE1 C 13 118.648 0.000 . 3 . . . . A 44 TYR CE1 . 36096 1 489 . 1 1 51 51 TYR CE2 C 13 118.648 0.000 . 3 . . . . A 44 TYR CE2 . 36096 1 490 . 1 1 51 51 TYR N N 15 121.775 0.019 . 1 . . . . A 44 TYR N . 36096 1 491 . 1 1 52 52 ALA H H 1 8.796 0.004 . 1 . . . . A 45 ALA H . 36096 1 492 . 1 1 52 52 ALA HA H 1 3.805 0.000 . 1 . . . . A 45 ALA HA . 36096 1 493 . 1 1 52 52 ALA HB1 H 1 1.610 0.000 . 1 . . . . A 45 ALA HB1 . 36096 1 494 . 1 1 52 52 ALA HB2 H 1 1.610 0.000 . 1 . . . . A 45 ALA HB2 . 36096 1 495 . 1 1 52 52 ALA HB3 H 1 1.610 0.000 . 1 . . . . A 45 ALA HB3 . 36096 1 496 . 1 1 52 52 ALA C C 13 179.443 0.000 . 1 . . . . A 45 ALA C . 36096 1 497 . 1 1 52 52 ALA CA C 13 55.681 0.026 . 1 . . . . A 45 ALA CA . 36096 1 498 . 1 1 52 52 ALA CB C 13 18.178 0.035 . 1 . . . . A 45 ALA CB . 36096 1 499 . 1 1 52 52 ALA N N 15 125.396 0.022 . 1 . . . . A 45 ALA N . 36096 1 500 . 1 1 53 53 ASP H H 1 8.733 0.002 . 1 . . . . A 46 ASP H . 36096 1 501 . 1 1 53 53 ASP HA H 1 4.334 0.000 . 1 . . . . A 46 ASP HA . 36096 1 502 . 1 1 53 53 ASP HB2 H 1 2.648 0.000 . 2 . . . . A 46 ASP HB2 . 36096 1 503 . 1 1 53 53 ASP HB3 H 1 2.817 0.000 . 2 . . . . A 46 ASP HB3 . 36096 1 504 . 1 1 53 53 ASP C C 13 179.174 0.000 . 1 . . . . A 46 ASP C . 36096 1 505 . 1 1 53 53 ASP CA C 13 57.045 0.099 . 1 . . . . A 46 ASP CA . 36096 1 506 . 1 1 53 53 ASP CB C 13 40.058 0.024 . 1 . . . . A 46 ASP CB . 36096 1 507 . 1 1 53 53 ASP N N 15 118.011 0.013 . 1 . . . . A 46 ASP N . 36096 1 508 . 1 1 54 54 ARG H H 1 7.867 0.003 . 1 . . . . A 47 ARG H . 36096 1 509 . 1 1 54 54 ARG HA H 1 4.070 0.000 . 1 . . . . A 47 ARG HA . 36096 1 510 . 1 1 54 54 ARG HB2 H 1 1.819 0.000 . 2 . . . . A 47 ARG HB2 . 36096 1 511 . 1 1 54 54 ARG HB3 H 1 1.860 0.000 . 2 . . . . A 47 ARG HB3 . 36096 1 512 . 1 1 54 54 ARG HG2 H 1 1.682 0.000 . 2 . . . . A 47 ARG HG2 . 36096 1 513 . 1 1 54 54 ARG HG3 H 1 1.677 0.000 . 2 . . . . A 47 ARG HG3 . 36096 1 514 . 1 1 54 54 ARG HD2 H 1 3.093 0.000 . 2 . . . . A 47 ARG HD2 . 36096 1 515 . 1 1 54 54 ARG HD3 H 1 2.995 0.000 . 2 . . . . A 47 ARG HD3 . 36096 1 516 . 1 1 54 54 ARG C C 13 177.942 0.000 . 1 . . . . A 47 ARG C . 36096 1 517 . 1 1 54 54 ARG CA C 13 58.138 0.035 . 1 . . . . A 47 ARG CA . 36096 1 518 . 1 1 54 54 ARG CB C 13 30.196 0.024 . 1 . . . . A 47 ARG CB . 36096 1 519 . 1 1 54 54 ARG CG C 13 27.003 0.000 . 1 . . . . A 47 ARG CG . 36096 1 520 . 1 1 54 54 ARG CD C 13 43.060 0.000 . 1 . . . . A 47 ARG CD . 36096 1 521 . 1 1 54 54 ARG N N 15 118.635 0.022 . 1 . . . . A 47 ARG N . 36096 1 522 . 1 1 55 55 THR H H 1 7.579 0.005 . 1 . . . . A 48 THR H . 36096 1 523 . 1 1 55 55 THR HA H 1 4.172 0.000 . 1 . . . . A 48 THR HA . 36096 1 524 . 1 1 55 55 THR HB H 1 4.052 0.000 . 1 . . . . A 48 THR HB . 36096 1 525 . 1 1 55 55 THR HG21 H 1 0.702 0.000 . 1 . . . . A 48 THR HG21 . 36096 1 526 . 1 1 55 55 THR HG22 H 1 0.702 0.000 . 1 . . . . A 48 THR HG22 . 36096 1 527 . 1 1 55 55 THR HG23 H 1 0.702 0.000 . 1 . . . . A 48 THR HG23 . 36096 1 528 . 1 1 55 55 THR C C 13 175.291 0.000 . 1 . . . . A 48 THR C . 36096 1 529 . 1 1 55 55 THR CA C 13 62.247 0.044 . 1 . . . . A 48 THR CA . 36096 1 530 . 1 1 55 55 THR CB C 13 70.262 0.055 . 1 . . . . A 48 THR CB . 36096 1 531 . 1 1 55 55 THR CG2 C 13 20.899 0.000 . 1 . . . . A 48 THR CG2 . 36096 1 532 . 1 1 55 55 THR N N 15 107.210 0.025 . 1 . . . . A 48 THR N . 36096 1 533 . 1 1 56 56 GLY H H 1 7.972 0.006 . 1 . . . . A 49 GLY H . 36096 1 534 . 1 1 56 56 GLY HA2 H 1 3.827 0.000 . 2 . . . . A 49 GLY HA2 . 36096 1 535 . 1 1 56 56 GLY HA3 H 1 3.976 0.000 . 2 . . . . A 49 GLY HA3 . 36096 1 536 . 1 1 56 56 GLY C C 13 174.522 0.000 . 1 . . . . A 49 GLY C . 36096 1 537 . 1 1 56 56 GLY CA C 13 46.389 0.039 . 1 . . . . A 49 GLY CA . 36096 1 538 . 1 1 56 56 GLY N N 15 111.583 0.021 . 1 . . . . A 49 GLY N . 36096 1 539 . 1 1 57 57 VAL H H 1 7.582 0.002 . 1 . . . . A 50 VAL H . 36096 1 540 . 1 1 57 57 VAL HA H 1 4.445 0.000 . 1 . . . . A 50 VAL HA . 36096 1 541 . 1 1 57 57 VAL HB H 1 2.018 0.000 . 1 . . . . A 50 VAL HB . 36096 1 542 . 1 1 57 57 VAL HG11 H 1 0.805 0.000 . 2 . . . . A 50 VAL HG11 . 36096 1 543 . 1 1 57 57 VAL HG12 H 1 0.805 0.000 . 2 . . . . A 50 VAL HG12 . 36096 1 544 . 1 1 57 57 VAL HG13 H 1 0.805 0.000 . 2 . . . . A 50 VAL HG13 . 36096 1 545 . 1 1 57 57 VAL HG21 H 1 0.713 0.000 . 2 . . . . A 50 VAL HG21 . 36096 1 546 . 1 1 57 57 VAL HG22 H 1 0.713 0.000 . 2 . . . . A 50 VAL HG22 . 36096 1 547 . 1 1 57 57 VAL HG23 H 1 0.713 0.000 . 2 . . . . A 50 VAL HG23 . 36096 1 548 . 1 1 57 57 VAL C C 13 174.365 0.000 . 1 . . . . A 50 VAL C . 36096 1 549 . 1 1 57 57 VAL CA C 13 59.509 0.029 . 1 . . . . A 50 VAL CA . 36096 1 550 . 1 1 57 57 VAL CB C 13 34.507 0.039 . 1 . . . . A 50 VAL CB . 36096 1 551 . 1 1 57 57 VAL CG1 C 13 21.258 0.000 . 1 . . . . A 50 VAL CG1 . 36096 1 552 . 1 1 57 57 VAL CG2 C 13 19.018 0.000 . 1 . . . . A 50 VAL CG2 . 36096 1 553 . 1 1 57 57 VAL N N 15 114.574 0.028 . 1 . . . . A 50 VAL N . 36096 1 554 . 1 1 58 58 ALA H H 1 8.258 0.003 . 1 . . . . A 51 ALA H . 36096 1 555 . 1 1 58 58 ALA HA H 1 4.321 0.000 . 1 . . . . A 51 ALA HA . 36096 1 556 . 1 1 58 58 ALA HB1 H 1 1.387 0.000 . 1 . . . . A 51 ALA HB1 . 36096 1 557 . 1 1 58 58 ALA HB2 H 1 1.387 0.000 . 1 . . . . A 51 ALA HB2 . 36096 1 558 . 1 1 58 58 ALA HB3 H 1 1.387 0.000 . 1 . . . . A 51 ALA HB3 . 36096 1 559 . 1 1 58 58 ALA C C 13 180.590 0.000 . 1 . . . . A 51 ALA C . 36096 1 560 . 1 1 58 58 ALA CA C 13 51.747 0.077 . 1 . . . . A 51 ALA CA . 36096 1 561 . 1 1 58 58 ALA CB C 13 18.721 0.046 . 1 . . . . A 51 ALA CB . 36096 1 562 . 1 1 58 58 ALA N N 15 123.776 0.019 . 1 . . . . A 51 ALA N . 36096 1 563 . 1 1 59 59 VAL H H 1 8.987 0.003 . 1 . . . . A 52 VAL H . 36096 1 564 . 1 1 59 59 VAL HA H 1 3.660 0.000 . 1 . . . . A 52 VAL HA . 36096 1 565 . 1 1 59 59 VAL HB H 1 1.997 0.000 . 1 . . . . A 52 VAL HB . 36096 1 566 . 1 1 59 59 VAL HG11 H 1 0.952 0.000 . 2 . . . . A 52 VAL HG11 . 36096 1 567 . 1 1 59 59 VAL HG12 H 1 0.952 0.000 . 2 . . . . A 52 VAL HG12 . 36096 1 568 . 1 1 59 59 VAL HG13 H 1 0.952 0.000 . 2 . . . . A 52 VAL HG13 . 36096 1 569 . 1 1 59 59 VAL HG21 H 1 0.952 0.000 . 2 . . . . A 52 VAL HG21 . 36096 1 570 . 1 1 59 59 VAL HG22 H 1 0.952 0.000 . 2 . . . . A 52 VAL HG22 . 36096 1 571 . 1 1 59 59 VAL HG23 H 1 0.952 0.000 . 2 . . . . A 52 VAL HG23 . 36096 1 572 . 1 1 59 59 VAL C C 13 176.590 0.000 . 1 . . . . A 52 VAL C . 36096 1 573 . 1 1 59 59 VAL CA C 13 65.796 0.059 . 1 . . . . A 52 VAL CA . 36096 1 574 . 1 1 59 59 VAL CB C 13 31.857 0.038 . 1 . . . . A 52 VAL CB . 36096 1 575 . 1 1 59 59 VAL CG1 C 13 19.923 0.000 . 1 . . . . A 52 VAL CG1 . 36096 1 576 . 1 1 59 59 VAL CG2 C 13 22.458 0.000 . 1 . . . . A 52 VAL CG2 . 36096 1 577 . 1 1 59 59 VAL N N 15 126.053 0.041 . 1 . . . . A 52 VAL N . 36096 1 578 . 1 1 60 60 ASN H H 1 8.243 0.002 . 1 . . . . A 53 ASN H . 36096 1 579 . 1 1 60 60 ASN HA H 1 4.579 0.000 . 1 . . . . A 53 ASN HA . 36096 1 580 . 1 1 60 60 ASN HB2 H 1 2.836 0.000 . 2 . . . . A 53 ASN HB2 . 36096 1 581 . 1 1 60 60 ASN HB3 H 1 2.836 0.000 . 2 . . . . A 53 ASN HB3 . 36096 1 582 . 1 1 60 60 ASN C C 13 175.556 0.000 . 1 . . . . A 53 ASN C . 36096 1 583 . 1 1 60 60 ASN CA C 13 54.354 0.134 . 1 . . . . A 53 ASN CA . 36096 1 584 . 1 1 60 60 ASN CB C 13 37.176 0.012 . 1 . . . . A 53 ASN CB . 36096 1 585 . 1 1 60 60 ASN N N 15 115.830 0.016 . 1 . . . . A 53 ASN N . 36096 1 586 . 1 1 61 61 SER H H 1 7.820 0.002 . 1 . . . . A 54 SER H . 36096 1 587 . 1 1 61 61 SER HA H 1 4.498 0.000 . 1 . . . . A 54 SER HA . 36096 1 588 . 1 1 61 61 SER HB2 H 1 4.140 0.000 . 2 . . . . A 54 SER HB2 . 36096 1 589 . 1 1 61 61 SER HB3 H 1 3.871 0.000 . 2 . . . . A 54 SER HB3 . 36096 1 590 . 1 1 61 61 SER C C 13 172.957 0.000 . 1 . . . . A 54 SER C . 36096 1 591 . 1 1 61 61 SER CA C 13 58.895 0.062 . 1 . . . . A 54 SER CA . 36096 1 592 . 1 1 61 61 SER CB C 13 64.595 0.055 . 1 . . . . A 54 SER CB . 36096 1 593 . 1 1 61 61 SER N N 15 114.204 0.010 . 1 . . . . A 54 SER N . 36096 1 594 . 1 1 62 62 LEU H H 1 7.244 0.003 . 1 . . . . A 55 LEU H . 36096 1 595 . 1 1 62 62 LEU HA H 1 4.783 0.000 . 1 . . . . A 55 LEU HA . 36096 1 596 . 1 1 62 62 LEU HB2 H 1 1.786 0.000 . 2 . . . . A 55 LEU HB2 . 36096 1 597 . 1 1 62 62 LEU HB3 H 1 1.721 0.000 . 2 . . . . A 55 LEU HB3 . 36096 1 598 . 1 1 62 62 LEU HG H 1 0.859 0.000 . 1 . . . . A 55 LEU HG . 36096 1 599 . 1 1 62 62 LEU HD11 H 1 0.678 0.000 . 2 . . . . A 55 LEU HD11 . 36096 1 600 . 1 1 62 62 LEU HD12 H 1 0.678 0.000 . 2 . . . . A 55 LEU HD12 . 36096 1 601 . 1 1 62 62 LEU HD13 H 1 0.678 0.000 . 2 . . . . A 55 LEU HD13 . 36096 1 602 . 1 1 62 62 LEU HD21 H 1 0.735 0.000 . 2 . . . . A 55 LEU HD21 . 36096 1 603 . 1 1 62 62 LEU HD22 H 1 0.735 0.000 . 2 . . . . A 55 LEU HD22 . 36096 1 604 . 1 1 62 62 LEU HD23 H 1 0.735 0.000 . 2 . . . . A 55 LEU HD23 . 36096 1 605 . 1 1 62 62 LEU C C 13 176.095 0.000 . 1 . . . . A 55 LEU C . 36096 1 606 . 1 1 62 62 LEU CA C 13 54.038 0.091 . 1 . . . . A 55 LEU CA . 36096 1 607 . 1 1 62 62 LEU CB C 13 45.172 0.014 . 1 . . . . A 55 LEU CB . 36096 1 608 . 1 1 62 62 LEU CG C 13 26.826 0.000 . 1 . . . . A 55 LEU CG . 36096 1 609 . 1 1 62 62 LEU CD1 C 13 25.911 0.000 . 1 . . . . A 55 LEU CD1 . 36096 1 610 . 1 1 62 62 LEU CD2 C 13 22.449 0.000 . 1 . . . . A 55 LEU CD2 . 36096 1 611 . 1 1 62 62 LEU N N 15 121.037 0.039 . 1 . . . . A 55 LEU N . 36096 1 612 . 1 1 63 63 ARG H H 1 8.768 0.003 . 1 . . . . A 56 ARG H . 36096 1 613 . 1 1 63 63 ARG HA H 1 4.555 0.000 . 1 . . . . A 56 ARG HA . 36096 1 614 . 1 1 63 63 ARG HB2 H 1 1.498 0.000 . 2 . . . . A 56 ARG HB2 . 36096 1 615 . 1 1 63 63 ARG HB3 H 1 1.355 0.000 . 2 . . . . A 56 ARG HB3 . 36096 1 616 . 1 1 63 63 ARG HD2 H 1 3.099 0.000 . 2 . . . . A 56 ARG HD2 . 36096 1 617 . 1 1 63 63 ARG HD3 H 1 2.948 0.000 . 2 . . . . A 56 ARG HD3 . 36096 1 618 . 1 1 63 63 ARG C C 13 173.555 0.000 . 1 . . . . A 56 ARG C . 36096 1 619 . 1 1 63 63 ARG CA C 13 54.347 0.157 . 1 . . . . A 56 ARG CA . 36096 1 620 . 1 1 63 63 ARG CB C 13 32.589 0.043 . 1 . . . . A 56 ARG CB . 36096 1 621 . 1 1 63 63 ARG CG C 13 26.946 0.000 . 1 . . . . A 56 ARG CG . 36096 1 622 . 1 1 63 63 ARG CD C 13 43.283 0.000 . 1 . . . . A 56 ARG CD . 36096 1 623 . 1 1 63 63 ARG N N 15 121.711 0.028 . 1 . . . . A 56 ARG N . 36096 1 624 . 1 1 64 64 PHE H H 1 8.698 0.003 . 1 . . . . A 57 PHE H . 36096 1 625 . 1 1 64 64 PHE HA H 1 5.313 0.000 . 1 . . . . A 57 PHE HA . 36096 1 626 . 1 1 64 64 PHE HB2 H 1 2.918 0.000 . 2 . . . . A 57 PHE HB2 . 36096 1 627 . 1 1 64 64 PHE HB3 H 1 2.578 0.000 . 2 . . . . A 57 PHE HB3 . 36096 1 628 . 1 1 64 64 PHE HD1 H 1 6.964 0.000 . 3 . . . . A 57 PHE HD1 . 36096 1 629 . 1 1 64 64 PHE HD2 H 1 6.964 0.000 . 3 . . . . A 57 PHE HD2 . 36096 1 630 . 1 1 64 64 PHE HE1 H 1 6.976 0.000 . 3 . . . . A 57 PHE HE1 . 36096 1 631 . 1 1 64 64 PHE HE2 H 1 6.976 0.000 . 3 . . . . A 57 PHE HE2 . 36096 1 632 . 1 1 64 64 PHE C C 13 174.864 0.000 . 1 . . . . A 57 PHE C . 36096 1 633 . 1 1 64 64 PHE CA C 13 54.722 0.052 . 1 . . . . A 57 PHE CA . 36096 1 634 . 1 1 64 64 PHE CB C 13 41.135 0.083 . 1 . . . . A 57 PHE CB . 36096 1 635 . 1 1 64 64 PHE CD1 C 13 130.956 0.000 . 3 . . . . A 57 PHE CD1 . 36096 1 636 . 1 1 64 64 PHE CD2 C 13 130.956 0.000 . 3 . . . . A 57 PHE CD2 . 36096 1 637 . 1 1 64 64 PHE N N 15 122.616 0.017 . 1 . . . . A 57 PHE N . 36096 1 638 . 1 1 65 65 LEU H H 1 9.472 0.006 . 1 . . . . A 58 LEU H . 36096 1 639 . 1 1 65 65 LEU HA H 1 5.196 0.000 . 1 . . . . A 58 LEU HA . 36096 1 640 . 1 1 65 65 LEU HB2 H 1 1.718 0.000 . 2 . . . . A 58 LEU HB2 . 36096 1 641 . 1 1 65 65 LEU HB3 H 1 1.280 0.000 . 2 . . . . A 58 LEU HB3 . 36096 1 642 . 1 1 65 65 LEU HG H 1 1.405 0.000 . 1 . . . . A 58 LEU HG . 36096 1 643 . 1 1 65 65 LEU HD11 H 1 0.670 0.000 . 2 . . . . A 58 LEU HD11 . 36096 1 644 . 1 1 65 65 LEU HD12 H 1 0.670 0.000 . 2 . . . . A 58 LEU HD12 . 36096 1 645 . 1 1 65 65 LEU HD13 H 1 0.670 0.000 . 2 . . . . A 58 LEU HD13 . 36096 1 646 . 1 1 65 65 LEU HD21 H 1 0.608 0.000 . 2 . . . . A 58 LEU HD21 . 36096 1 647 . 1 1 65 65 LEU HD22 H 1 0.608 0.000 . 2 . . . . A 58 LEU HD22 . 36096 1 648 . 1 1 65 65 LEU HD23 H 1 0.608 0.000 . 2 . . . . A 58 LEU HD23 . 36096 1 649 . 1 1 65 65 LEU C C 13 175.643 0.000 . 1 . . . . A 58 LEU C . 36096 1 650 . 1 1 65 65 LEU CA C 13 53.925 0.040 . 1 . . . . A 58 LEU CA . 36096 1 651 . 1 1 65 65 LEU CB C 13 46.576 0.016 . 1 . . . . A 58 LEU CB . 36096 1 652 . 1 1 65 65 LEU CG C 13 28.007 0.000 . 1 . . . . A 58 LEU CG . 36096 1 653 . 1 1 65 65 LEU CD1 C 13 25.262 0.000 . 1 . . . . A 58 LEU CD1 . 36096 1 654 . 1 1 65 65 LEU CD2 C 13 24.339 0.000 . 1 . . . . A 58 LEU CD2 . 36096 1 655 . 1 1 65 65 LEU N N 15 123.398 0.019 . 1 . . . . A 58 LEU N . 36096 1 656 . 1 1 66 66 PHE H H 1 8.874 0.006 . 1 . . . . A 59 PHE H . 36096 1 657 . 1 1 66 66 PHE HA H 1 5.144 0.000 . 1 . . . . A 59 PHE HA . 36096 1 658 . 1 1 66 66 PHE HB2 H 1 2.742 0.000 . 2 . . . . A 59 PHE HB2 . 36096 1 659 . 1 1 66 66 PHE HB3 H 1 2.997 0.000 . 2 . . . . A 59 PHE HB3 . 36096 1 660 . 1 1 66 66 PHE HD1 H 1 7.349 0.000 . 3 . . . . A 59 PHE HD1 . 36096 1 661 . 1 1 66 66 PHE HD2 H 1 7.349 0.000 . 3 . . . . A 59 PHE HD2 . 36096 1 662 . 1 1 66 66 PHE C C 13 175.006 0.000 . 1 . . . . A 59 PHE C . 36096 1 663 . 1 1 66 66 PHE CA C 13 56.209 0.080 . 1 . . . . A 59 PHE CA . 36096 1 664 . 1 1 66 66 PHE CB C 13 41.947 0.019 . 1 . . . . A 59 PHE CB . 36096 1 665 . 1 1 66 66 PHE CD1 C 13 131.567 0.000 . 3 . . . . A 59 PHE CD1 . 36096 1 666 . 1 1 66 66 PHE CD2 C 13 131.567 0.000 . 3 . . . . A 59 PHE CD2 . 36096 1 667 . 1 1 66 66 PHE N N 15 119.760 0.017 . 1 . . . . A 59 PHE N . 36096 1 668 . 1 1 67 67 ASP H H 1 9.126 0.006 . 1 . . . . A 60 ASP H . 36096 1 669 . 1 1 67 67 ASP HA H 1 3.918 0.000 . 1 . . . . A 60 ASP HA . 36096 1 670 . 1 1 67 67 ASP HB2 H 1 2.587 0.000 . 2 . . . . A 60 ASP HB2 . 36096 1 671 . 1 1 67 67 ASP HB3 H 1 1.401 0.000 . 2 . . . . A 60 ASP HB3 . 36096 1 672 . 1 1 67 67 ASP C C 13 175.948 0.000 . 1 . . . . A 60 ASP C . 36096 1 673 . 1 1 67 67 ASP CA C 13 54.423 0.051 . 1 . . . . A 60 ASP CA . 36096 1 674 . 1 1 67 67 ASP CB C 13 39.088 0.078 . 1 . . . . A 60 ASP CB . 36096 1 675 . 1 1 67 67 ASP N N 15 131.020 0.024 . 1 . . . . A 60 ASP N . 36096 1 676 . 1 1 68 68 GLY H H 1 8.703 0.004 . 1 . . . . A 61 GLY H . 36096 1 677 . 1 1 68 68 GLY HA2 H 1 3.428 0.000 . 2 . . . . A 61 GLY HA2 . 36096 1 678 . 1 1 68 68 GLY HA3 H 1 4.015 0.000 . 2 . . . . A 61 GLY HA3 . 36096 1 679 . 1 1 68 68 GLY C C 13 173.611 0.000 . 1 . . . . A 61 GLY C . 36096 1 680 . 1 1 68 68 GLY CA C 13 45.371 0.018 . 1 . . . . A 61 GLY CA . 36096 1 681 . 1 1 68 68 GLY N N 15 102.291 0.024 . 1 . . . . A 61 GLY N . 36096 1 682 . 1 1 69 69 ARG H H 1 7.877 0.003 . 1 . . . . A 62 ARG H . 36096 1 683 . 1 1 69 69 ARG HA H 1 4.568 0.000 . 1 . . . . A 62 ARG HA . 36096 1 684 . 1 1 69 69 ARG HB2 H 1 1.831 0.000 . 2 . . . . A 62 ARG HB2 . 36096 1 685 . 1 1 69 69 ARG HB3 H 1 1.831 0.000 . 2 . . . . A 62 ARG HB3 . 36096 1 686 . 1 1 69 69 ARG HG2 H 1 1.571 0.000 . 2 . . . . A 62 ARG HG2 . 36096 1 687 . 1 1 69 69 ARG HG3 H 1 1.571 0.000 . 2 . . . . A 62 ARG HG3 . 36096 1 688 . 1 1 69 69 ARG HD2 H 1 3.167 0.000 . 2 . . . . A 62 ARG HD2 . 36096 1 689 . 1 1 69 69 ARG HD3 H 1 3.167 0.000 . 2 . . . . A 62 ARG HD3 . 36096 1 690 . 1 1 69 69 ARG C C 13 175.300 0.000 . 1 . . . . A 62 ARG C . 36096 1 691 . 1 1 69 69 ARG CA C 13 54.432 0.016 . 1 . . . . A 62 ARG CA . 36096 1 692 . 1 1 69 69 ARG CB C 13 32.478 0.033 . 1 . . . . A 62 ARG CB . 36096 1 693 . 1 1 69 69 ARG CG C 13 26.740 0.000 . 1 . . . . A 62 ARG CG . 36096 1 694 . 1 1 69 69 ARG CD C 13 43.757 0.000 . 1 . . . . A 62 ARG CD . 36096 1 695 . 1 1 69 69 ARG N N 15 121.352 0.020 . 1 . . . . A 62 ARG N . 36096 1 696 . 1 1 70 70 ARG H H 1 8.603 0.003 . 1 . . . . A 63 ARG H . 36096 1 697 . 1 1 70 70 ARG HA H 1 4.419 0.000 . 1 . . . . A 63 ARG HA . 36096 1 698 . 1 1 70 70 ARG HB2 H 1 1.736 0.000 . 2 . . . . A 63 ARG HB2 . 36096 1 699 . 1 1 70 70 ARG HB3 H 1 1.701 0.000 . 2 . . . . A 63 ARG HB3 . 36096 1 700 . 1 1 70 70 ARG HG2 H 1 1.520 0.000 . 2 . . . . A 63 ARG HG2 . 36096 1 701 . 1 1 70 70 ARG HG3 H 1 1.520 0.000 . 2 . . . . A 63 ARG HG3 . 36096 1 702 . 1 1 70 70 ARG HD2 H 1 3.160 0.000 . 2 . . . . A 63 ARG HD2 . 36096 1 703 . 1 1 70 70 ARG HD3 H 1 3.160 0.000 . 2 . . . . A 63 ARG HD3 . 36096 1 704 . 1 1 70 70 ARG C C 13 176.466 0.000 . 1 . . . . A 63 ARG C . 36096 1 705 . 1 1 70 70 ARG CA C 13 57.008 0.048 . 1 . . . . A 63 ARG CA . 36096 1 706 . 1 1 70 70 ARG CB C 13 30.131 0.050 . 1 . . . . A 63 ARG CB . 36096 1 707 . 1 1 70 70 ARG CG C 13 27.515 0.000 . 1 . . . . A 63 ARG CG . 36096 1 708 . 1 1 70 70 ARG CD C 13 43.470 0.000 . 1 . . . . A 63 ARG CD . 36096 1 709 . 1 1 70 70 ARG N N 15 124.281 0.015 . 1 . . . . A 63 ARG N . 36096 1 710 . 1 1 71 71 ILE H H 1 8.204 0.005 . 1 . . . . A 64 ILE H . 36096 1 711 . 1 1 71 71 ILE HA H 1 4.176 0.000 . 1 . . . . A 64 ILE HA . 36096 1 712 . 1 1 71 71 ILE HB H 1 1.757 0.000 . 1 . . . . A 64 ILE HB . 36096 1 713 . 1 1 71 71 ILE HG12 H 1 1.622 0.000 . 2 . . . . A 64 ILE HG12 . 36096 1 714 . 1 1 71 71 ILE HG13 H 1 1.622 0.000 . 2 . . . . A 64 ILE HG13 . 36096 1 715 . 1 1 71 71 ILE HG21 H 1 0.902 0.000 . 1 . . . . A 64 ILE HG21 . 36096 1 716 . 1 1 71 71 ILE HG22 H 1 0.902 0.000 . 1 . . . . A 64 ILE HG22 . 36096 1 717 . 1 1 71 71 ILE HG23 H 1 0.902 0.000 . 1 . . . . A 64 ILE HG23 . 36096 1 718 . 1 1 71 71 ILE HD11 H 1 0.751 0.000 . 1 . . . . A 64 ILE HD11 . 36096 1 719 . 1 1 71 71 ILE HD12 H 1 0.751 0.000 . 1 . . . . A 64 ILE HD12 . 36096 1 720 . 1 1 71 71 ILE HD13 H 1 0.751 0.000 . 1 . . . . A 64 ILE HD13 . 36096 1 721 . 1 1 71 71 ILE C C 13 176.052 0.000 . 1 . . . . A 64 ILE C . 36096 1 722 . 1 1 71 71 ILE CA C 13 61.316 0.098 . 1 . . . . A 64 ILE CA . 36096 1 723 . 1 1 71 71 ILE CB C 13 39.300 0.021 . 1 . . . . A 64 ILE CB . 36096 1 724 . 1 1 71 71 ILE CG1 C 13 26.715 0.000 . 1 . . . . A 64 ILE CG1 . 36096 1 725 . 1 1 71 71 ILE CG2 C 13 18.764 0.000 . 1 . . . . A 64 ILE CG2 . 36096 1 726 . 1 1 71 71 ILE CD1 C 13 15.165 0.000 . 1 . . . . A 64 ILE CD1 . 36096 1 727 . 1 1 71 71 ILE N N 15 123.117 0.030 . 1 . . . . A 64 ILE N . 36096 1 728 . 1 1 72 72 ASN H H 1 9.434 0.006 . 1 . . . . A 65 ASN H . 36096 1 729 . 1 1 72 72 ASN HA H 1 4.850 0.000 . 1 . . . . A 65 ASN HA . 36096 1 730 . 1 1 72 72 ASN HB2 H 1 2.674 0.000 . 2 . . . . A 65 ASN HB2 . 36096 1 731 . 1 1 72 72 ASN HB3 H 1 2.860 0.000 . 2 . . . . A 65 ASN HB3 . 36096 1 732 . 1 1 72 72 ASN C C 13 176.266 0.000 . 1 . . . . A 65 ASN C . 36096 1 733 . 1 1 72 72 ASN CA C 13 52.248 0.029 . 1 . . . . A 65 ASN CA . 36096 1 734 . 1 1 72 72 ASN CB C 13 40.377 0.024 . 1 . . . . A 65 ASN CB . 36096 1 735 . 1 1 72 72 ASN N N 15 127.624 0.048 . 1 . . . . A 65 ASN N . 36096 1 736 . 1 1 73 73 ASP H H 1 8.881 0.003 . 1 . . . . A 66 ASP H . 36096 1 737 . 1 1 73 73 ASP HA H 1 4.037 0.000 . 1 . . . . A 66 ASP HA . 36096 1 738 . 1 1 73 73 ASP HB2 H 1 2.561 0.000 . 2 . . . . A 66 ASP HB2 . 36096 1 739 . 1 1 73 73 ASP HB3 H 1 2.561 0.000 . 2 . . . . A 66 ASP HB3 . 36096 1 740 . 1 1 73 73 ASP C C 13 175.949 0.000 . 1 . . . . A 66 ASP C . 36096 1 741 . 1 1 73 73 ASP CA C 13 57.310 0.072 . 1 . . . . A 66 ASP CA . 36096 1 742 . 1 1 73 73 ASP CB C 13 40.368 0.016 . 1 . . . . A 66 ASP CB . 36096 1 743 . 1 1 73 73 ASP N N 15 121.872 0.029 . 1 . . . . A 66 ASP N . 36096 1 744 . 1 1 74 74 ASP H H 1 8.167 0.003 . 1 . . . . A 67 ASP H . 36096 1 745 . 1 1 74 74 ASP HA H 1 4.637 0.000 . 1 . . . . A 67 ASP HA . 36096 1 746 . 1 1 74 74 ASP HB2 H 1 2.631 0.000 . 2 . . . . A 67 ASP HB2 . 36096 1 747 . 1 1 74 74 ASP HB3 H 1 2.640 0.000 . 2 . . . . A 67 ASP HB3 . 36096 1 748 . 1 1 74 74 ASP C C 13 177.688 0.000 . 1 . . . . A 67 ASP C . 36096 1 749 . 1 1 74 74 ASP CA C 13 53.419 0.040 . 1 . . . . A 67 ASP CA . 36096 1 750 . 1 1 74 74 ASP CB C 13 40.199 0.038 . 1 . . . . A 67 ASP CB . 36096 1 751 . 1 1 74 74 ASP N N 15 112.577 0.012 . 1 . . . . A 67 ASP N . 36096 1 752 . 1 1 75 75 ASP H H 1 7.245 0.003 . 1 . . . . A 68 ASP H . 36096 1 753 . 1 1 75 75 ASP HA H 1 4.563 0.000 . 1 . . . . A 68 ASP HA . 36096 1 754 . 1 1 75 75 ASP HB2 H 1 2.783 0.000 . 2 . . . . A 68 ASP HB2 . 36096 1 755 . 1 1 75 75 ASP HB3 H 1 2.352 0.000 . 2 . . . . A 68 ASP HB3 . 36096 1 756 . 1 1 75 75 ASP C C 13 174.069 0.000 . 1 . . . . A 68 ASP C . 36096 1 757 . 1 1 75 75 ASP CA C 13 55.789 0.053 . 1 . . . . A 68 ASP CA . 36096 1 758 . 1 1 75 75 ASP CB C 13 42.145 0.012 . 1 . . . . A 68 ASP CB . 36096 1 759 . 1 1 75 75 ASP N N 15 120.604 0.023 . 1 . . . . A 68 ASP N . 36096 1 760 . 1 1 76 76 THR H H 1 8.371 0.005 . 1 . . . . A 69 THR H . 36096 1 761 . 1 1 76 76 THR C C 13 177.125 0.000 . 1 . . . . A 69 THR C . 36096 1 762 . 1 1 76 76 THR CA C 13 58.365 0.000 . 1 . . . . A 69 THR CA . 36096 1 763 . 1 1 76 76 THR CB C 13 70.675 0.000 . 1 . . . . A 69 THR CB . 36096 1 764 . 1 1 76 76 THR N N 15 109.666 0.023 . 1 . . . . A 69 THR N . 36096 1 765 . 1 1 77 77 PRO HA H 1 3.914 0.000 . 1 . . . . A 70 PRO HA . 36096 1 766 . 1 1 77 77 PRO HB2 H 1 1.846 0.000 . 2 . . . . A 70 PRO HB2 . 36096 1 767 . 1 1 77 77 PRO HB3 H 1 1.988 0.000 . 2 . . . . A 70 PRO HB3 . 36096 1 768 . 1 1 77 77 PRO HG2 H 1 1.364 0.000 . 2 . . . . A 70 PRO HG2 . 36096 1 769 . 1 1 77 77 PRO HG3 H 1 1.380 0.000 . 2 . . . . A 70 PRO HG3 . 36096 1 770 . 1 1 77 77 PRO CA C 13 65.930 0.068 . 1 . . . . A 70 PRO CA . 36096 1 771 . 1 1 77 77 PRO CB C 13 31.623 0.048 . 1 . . . . A 70 PRO CB . 36096 1 772 . 1 1 77 77 PRO CG C 13 27.404 0.000 . 1 . . . . A 70 PRO CG . 36096 1 773 . 1 1 78 78 LYS H H 1 7.617 0.004 . 1 . . . . A 71 LYS H . 36096 1 774 . 1 1 78 78 LYS HA H 1 4.020 0.000 . 1 . . . . A 71 LYS HA . 36096 1 775 . 1 1 78 78 LYS HB2 H 1 1.750 0.000 . 2 . . . . A 71 LYS HB2 . 36096 1 776 . 1 1 78 78 LYS HB3 H 1 1.741 0.000 . 2 . . . . A 71 LYS HB3 . 36096 1 777 . 1 1 78 78 LYS HG2 H 1 1.231 0.000 . 2 . . . . A 71 LYS HG2 . 36096 1 778 . 1 1 78 78 LYS HG3 H 1 1.231 0.000 . 2 . . . . A 71 LYS HG3 . 36096 1 779 . 1 1 78 78 LYS HD2 H 1 1.442 0.000 . 2 . . . . A 71 LYS HD2 . 36096 1 780 . 1 1 78 78 LYS HD3 H 1 1.435 0.000 . 2 . . . . A 71 LYS HD3 . 36096 1 781 . 1 1 78 78 LYS HE2 H 1 2.765 0.000 . 2 . . . . A 71 LYS HE2 . 36096 1 782 . 1 1 78 78 LYS HE3 H 1 2.765 0.000 . 2 . . . . A 71 LYS HE3 . 36096 1 783 . 1 1 78 78 LYS C C 13 180.481 0.000 . 1 . . . . A 71 LYS C . 36096 1 784 . 1 1 78 78 LYS CA C 13 58.985 0.052 . 1 . . . . A 71 LYS CA . 36096 1 785 . 1 1 78 78 LYS CB C 13 32.542 0.037 . 1 . . . . A 71 LYS CB . 36096 1 786 . 1 1 78 78 LYS CG C 13 24.429 0.000 . 1 . . . . A 71 LYS CG . 36096 1 787 . 1 1 78 78 LYS CD C 13 28.864 0.000 . 1 . . . . A 71 LYS CD . 36096 1 788 . 1 1 78 78 LYS N N 15 114.718 0.026 . 1 . . . . A 71 LYS N . 36096 1 789 . 1 1 79 79 THR H H 1 8.319 0.003 . 1 . . . . A 72 THR H . 36096 1 790 . 1 1 79 79 THR HA H 1 4.078 0.000 . 1 . . . . A 72 THR HA . 36096 1 791 . 1 1 79 79 THR HB H 1 4.393 0.000 . 1 . . . . A 72 THR HB . 36096 1 792 . 1 1 79 79 THR HG21 H 1 1.314 0.000 . 1 . . . . A 72 THR HG21 . 36096 1 793 . 1 1 79 79 THR HG22 H 1 1.314 0.000 . 1 . . . . A 72 THR HG22 . 36096 1 794 . 1 1 79 79 THR HG23 H 1 1.314 0.000 . 1 . . . . A 72 THR HG23 . 36096 1 795 . 1 1 79 79 THR C C 13 177.738 0.000 . 1 . . . . A 72 THR C . 36096 1 796 . 1 1 79 79 THR CA C 13 65.686 0.116 . 1 . . . . A 72 THR CA . 36096 1 797 . 1 1 79 79 THR CB C 13 68.027 0.031 . 1 . . . . A 72 THR CB . 36096 1 798 . 1 1 79 79 THR CG2 C 13 22.128 0.000 . 1 . . . . A 72 THR CG2 . 36096 1 799 . 1 1 79 79 THR N N 15 114.995 0.016 . 1 . . . . A 72 THR N . 36096 1 800 . 1 1 80 80 LEU H H 1 7.824 0.004 . 1 . . . . A 73 LEU H . 36096 1 801 . 1 1 80 80 LEU HA H 1 4.243 0.000 . 1 . . . . A 73 LEU HA . 36096 1 802 . 1 1 80 80 LEU HB2 H 1 1.406 0.000 . 2 . . . . A 73 LEU HB2 . 36096 1 803 . 1 1 80 80 LEU HB3 H 1 1.406 0.000 . 2 . . . . A 73 LEU HB3 . 36096 1 804 . 1 1 80 80 LEU HG H 1 1.663 0.000 . 1 . . . . A 73 LEU HG . 36096 1 805 . 1 1 80 80 LEU HD21 H 1 0.866 0.000 . 2 . . . . A 73 LEU HD21 . 36096 1 806 . 1 1 80 80 LEU HD22 H 1 0.866 0.000 . 2 . . . . A 73 LEU HD22 . 36096 1 807 . 1 1 80 80 LEU HD23 H 1 0.866 0.000 . 2 . . . . A 73 LEU HD23 . 36096 1 808 . 1 1 80 80 LEU C C 13 175.139 0.000 . 1 . . . . A 73 LEU C . 36096 1 809 . 1 1 80 80 LEU CA C 13 54.892 0.035 . 1 . . . . A 73 LEU CA . 36096 1 810 . 1 1 80 80 LEU CB C 13 42.922 0.028 . 1 . . . . A 73 LEU CB . 36096 1 811 . 1 1 80 80 LEU CG C 13 26.575 0.000 . 1 . . . . A 73 LEU CG . 36096 1 812 . 1 1 80 80 LEU CD1 C 13 22.026 0.000 . 2 . . . . A 73 LEU CD1 . 36096 1 813 . 1 1 80 80 LEU CD2 C 13 22.026 0.000 . 2 . . . . A 73 LEU CD2 . 36096 1 814 . 1 1 80 80 LEU N N 15 120.531 0.011 . 1 . . . . A 73 LEU N . 36096 1 815 . 1 1 81 81 GLU H H 1 7.671 0.004 . 1 . . . . A 74 GLU H . 36096 1 816 . 1 1 81 81 GLU HA H 1 3.896 0.000 . 1 . . . . A 74 GLU HA . 36096 1 817 . 1 1 81 81 GLU HB2 H 1 2.141 0.000 . 2 . . . . A 74 GLU HB2 . 36096 1 818 . 1 1 81 81 GLU HB3 H 1 2.141 0.000 . 2 . . . . A 74 GLU HB3 . 36096 1 819 . 1 1 81 81 GLU HG2 H 1 2.282 0.000 . 2 . . . . A 74 GLU HG2 . 36096 1 820 . 1 1 81 81 GLU HG3 H 1 2.282 0.000 . 2 . . . . A 74 GLU HG3 . 36096 1 821 . 1 1 81 81 GLU C C 13 176.161 0.000 . 1 . . . . A 74 GLU C . 36096 1 822 . 1 1 81 81 GLU CA C 13 57.012 0.036 . 1 . . . . A 74 GLU CA . 36096 1 823 . 1 1 81 81 GLU CB C 13 26.436 0.072 . 1 . . . . A 74 GLU CB . 36096 1 824 . 1 1 81 81 GLU CG C 13 36.593 0.000 . 1 . . . . A 74 GLU CG . 36096 1 825 . 1 1 81 81 GLU N N 15 114.802 0.021 . 1 . . . . A 74 GLU N . 36096 1 826 . 1 1 82 82 MET H H 1 7.905 0.007 . 1 . . . . A 75 MET H . 36096 1 827 . 1 1 82 82 MET HA H 1 4.282 0.000 . 1 . . . . A 75 MET HA . 36096 1 828 . 1 1 82 82 MET HB2 H 1 1.460 0.000 . 2 . . . . A 75 MET HB2 . 36096 1 829 . 1 1 82 82 MET HB3 H 1 1.346 0.000 . 2 . . . . A 75 MET HB3 . 36096 1 830 . 1 1 82 82 MET HG2 H 1 2.074 0.000 . 2 . . . . A 75 MET HG2 . 36096 1 831 . 1 1 82 82 MET HG3 H 1 1.892 0.000 . 2 . . . . A 75 MET HG3 . 36096 1 832 . 1 1 82 82 MET C C 13 175.283 0.000 . 1 . . . . A 75 MET C . 36096 1 833 . 1 1 82 82 MET CA C 13 56.886 0.037 . 1 . . . . A 75 MET CA . 36096 1 834 . 1 1 82 82 MET CB C 13 35.978 0.011 . 1 . . . . A 75 MET CB . 36096 1 835 . 1 1 82 82 MET CG C 13 33.101 0.000 . 1 . . . . A 75 MET CG . 36096 1 836 . 1 1 82 82 MET N N 15 116.149 0.022 . 1 . . . . A 75 MET N . 36096 1 837 . 1 1 83 83 GLU H H 1 9.331 0.009 . 1 . . . . A 76 GLU H . 36096 1 838 . 1 1 83 83 GLU HA H 1 4.551 0.000 . 1 . . . . A 76 GLU HA . 36096 1 839 . 1 1 83 83 GLU HB2 H 1 2.062 0.000 . 2 . . . . A 76 GLU HB2 . 36096 1 840 . 1 1 83 83 GLU HB3 H 1 1.794 0.000 . 2 . . . . A 76 GLU HB3 . 36096 1 841 . 1 1 83 83 GLU HG2 H 1 2.235 0.000 . 2 . . . . A 76 GLU HG2 . 36096 1 842 . 1 1 83 83 GLU HG3 H 1 2.235 0.000 . 2 . . . . A 76 GLU HG3 . 36096 1 843 . 1 1 83 83 GLU C C 13 174.389 0.000 . 1 . . . . A 76 GLU C . 36096 1 844 . 1 1 83 83 GLU CA C 13 54.083 0.011 . 1 . . . . A 76 GLU CA . 36096 1 845 . 1 1 83 83 GLU CB C 13 33.544 0.100 . 1 . . . . A 76 GLU CB . 36096 1 846 . 1 1 83 83 GLU CG C 13 35.741 0.000 . 1 . . . . A 76 GLU CG . 36096 1 847 . 1 1 83 83 GLU N N 15 121.276 0.028 . 1 . . . . A 76 GLU N . 36096 1 848 . 1 1 84 84 ASP H H 1 8.283 0.004 . 1 . . . . A 77 ASP H . 36096 1 849 . 1 1 84 84 ASP HA H 1 4.647 0.000 . 1 . . . . A 77 ASP HA . 36096 1 850 . 1 1 84 84 ASP HB2 H 1 2.473 0.000 . 2 . . . . A 77 ASP HB2 . 36096 1 851 . 1 1 84 84 ASP HB3 H 1 2.473 0.000 . 2 . . . . A 77 ASP HB3 . 36096 1 852 . 1 1 84 84 ASP C C 13 177.614 0.000 . 1 . . . . A 77 ASP C . 36096 1 853 . 1 1 84 84 ASP CA C 13 56.382 0.018 . 1 . . . . A 77 ASP CA . 36096 1 854 . 1 1 84 84 ASP CB C 13 41.853 0.018 . 1 . . . . A 77 ASP CB . 36096 1 855 . 1 1 84 84 ASP N N 15 117.863 0.022 . 1 . . . . A 77 ASP N . 36096 1 856 . 1 1 85 85 ASP H H 1 9.531 0.006 . 1 . . . . A 78 ASP H . 36096 1 857 . 1 1 85 85 ASP HA H 1 4.051 0.000 . 1 . . . . A 78 ASP HA . 36096 1 858 . 1 1 85 85 ASP HB2 H 1 2.955 0.000 . 2 . . . . A 78 ASP HB2 . 36096 1 859 . 1 1 85 85 ASP HB3 H 1 2.843 0.000 . 2 . . . . A 78 ASP HB3 . 36096 1 860 . 1 1 85 85 ASP C C 13 175.325 0.000 . 1 . . . . A 78 ASP C . 36096 1 861 . 1 1 85 85 ASP CA C 13 56.390 0.089 . 1 . . . . A 78 ASP CA . 36096 1 862 . 1 1 85 85 ASP CB C 13 38.843 0.037 . 1 . . . . A 78 ASP CB . 36096 1 863 . 1 1 85 85 ASP N N 15 116.697 0.104 . 1 . . . . A 78 ASP N . 36096 1 864 . 1 1 86 86 ASP H H 1 7.951 0.005 . 1 . . . . A 79 ASP H . 36096 1 865 . 1 1 86 86 ASP HA H 1 4.846 0.000 . 1 . . . . A 79 ASP HA . 36096 1 866 . 1 1 86 86 ASP HB2 H 1 2.937 0.000 . 2 . . . . A 79 ASP HB2 . 36096 1 867 . 1 1 86 86 ASP HB3 H 1 2.677 0.000 . 2 . . . . A 79 ASP HB3 . 36096 1 868 . 1 1 86 86 ASP C C 13 174.407 0.000 . 1 . . . . A 79 ASP C . 36096 1 869 . 1 1 86 86 ASP CA C 13 55.653 0.034 . 1 . . . . A 79 ASP CA . 36096 1 870 . 1 1 86 86 ASP CB C 13 42.709 0.027 . 1 . . . . A 79 ASP CB . 36096 1 871 . 1 1 86 86 ASP N N 15 120.159 0.018 . 1 . . . . A 79 ASP N . 36096 1 872 . 1 1 87 87 VAL H H 1 8.082 0.002 . 1 . . . . A 80 VAL H . 36096 1 873 . 1 1 87 87 VAL HA H 1 4.883 0.000 . 1 . . . . A 80 VAL HA . 36096 1 874 . 1 1 87 87 VAL HB H 1 1.906 0.000 . 1 . . . . A 80 VAL HB . 36096 1 875 . 1 1 87 87 VAL HG11 H 1 0.939 0.000 . 2 . . . . A 80 VAL HG11 . 36096 1 876 . 1 1 87 87 VAL HG12 H 1 0.939 0.000 . 2 . . . . A 80 VAL HG12 . 36096 1 877 . 1 1 87 87 VAL HG13 H 1 0.939 0.000 . 2 . . . . A 80 VAL HG13 . 36096 1 878 . 1 1 87 87 VAL HG21 H 1 0.810 0.000 . 2 . . . . A 80 VAL HG21 . 36096 1 879 . 1 1 87 87 VAL HG22 H 1 0.810 0.000 . 2 . . . . A 80 VAL HG22 . 36096 1 880 . 1 1 87 87 VAL HG23 H 1 0.810 0.000 . 2 . . . . A 80 VAL HG23 . 36096 1 881 . 1 1 87 87 VAL C C 13 176.151 0.000 . 1 . . . . A 80 VAL C . 36096 1 882 . 1 1 87 87 VAL CA C 13 60.975 0.024 . 1 . . . . A 80 VAL CA . 36096 1 883 . 1 1 87 87 VAL CB C 13 35.268 0.033 . 1 . . . . A 80 VAL CB . 36096 1 884 . 1 1 87 87 VAL CG1 C 13 22.041 0.000 . 1 . . . . A 80 VAL CG1 . 36096 1 885 . 1 1 87 87 VAL CG2 C 13 21.572 0.000 . 1 . . . . A 80 VAL CG2 . 36096 1 886 . 1 1 87 87 VAL N N 15 117.018 0.025 . 1 . . . . A 80 VAL N . 36096 1 887 . 1 1 88 88 ILE H H 1 8.926 0.007 . 1 . . . . A 81 ILE H . 36096 1 888 . 1 1 88 88 ILE HA H 1 4.619 0.000 . 1 . . . . A 81 ILE HA . 36096 1 889 . 1 1 88 88 ILE HB H 1 1.471 0.000 . 1 . . . . A 81 ILE HB . 36096 1 890 . 1 1 88 88 ILE HG12 H 1 1.376 0.000 . 2 . . . . A 81 ILE HG12 . 36096 1 891 . 1 1 88 88 ILE HG13 H 1 1.376 0.000 . 2 . . . . A 81 ILE HG13 . 36096 1 892 . 1 1 88 88 ILE HG21 H 1 0.508 0.000 . 1 . . . . A 81 ILE HG21 . 36096 1 893 . 1 1 88 88 ILE HG22 H 1 0.508 0.000 . 1 . . . . A 81 ILE HG22 . 36096 1 894 . 1 1 88 88 ILE HG23 H 1 0.508 0.000 . 1 . . . . A 81 ILE HG23 . 36096 1 895 . 1 1 88 88 ILE C C 13 174.882 0.000 . 1 . . . . A 81 ILE C . 36096 1 896 . 1 1 88 88 ILE CA C 13 59.674 0.036 . 1 . . . . A 81 ILE CA . 36096 1 897 . 1 1 88 88 ILE CB C 13 40.526 0.021 . 1 . . . . A 81 ILE CB . 36096 1 898 . 1 1 88 88 ILE CG1 C 13 27.799 0.000 . 1 . . . . A 81 ILE CG1 . 36096 1 899 . 1 1 88 88 ILE CG2 C 13 17.143 0.000 . 1 . . . . A 81 ILE CG2 . 36096 1 900 . 1 1 88 88 ILE CD1 C 13 13.929 0.000 . 1 . . . . A 81 ILE CD1 . 36096 1 901 . 1 1 88 88 ILE N N 15 126.954 0.020 . 1 . . . . A 81 ILE N . 36096 1 902 . 1 1 89 89 GLU H H 1 8.746 0.004 . 1 . . . . A 82 GLU H . 36096 1 903 . 1 1 89 89 GLU HA H 1 4.872 0.000 . 1 . . . . A 82 GLU HA . 36096 1 904 . 1 1 89 89 GLU HB2 H 1 1.917 0.000 . 2 . . . . A 82 GLU HB2 . 36096 1 905 . 1 1 89 89 GLU HB3 H 1 2.057 0.000 . 2 . . . . A 82 GLU HB3 . 36096 1 906 . 1 1 89 89 GLU HG2 H 1 2.234 0.000 . 2 . . . . A 82 GLU HG2 . 36096 1 907 . 1 1 89 89 GLU C C 13 175.093 0.000 . 1 . . . . A 82 GLU C . 36096 1 908 . 1 1 89 89 GLU CA C 13 54.850 0.024 . 1 . . . . A 82 GLU CA . 36096 1 909 . 1 1 89 89 GLU CB C 13 32.622 0.058 . 1 . . . . A 82 GLU CB . 36096 1 910 . 1 1 89 89 GLU CG C 13 36.563 0.000 . 1 . . . . A 82 GLU CG . 36096 1 911 . 1 1 89 89 GLU N N 15 126.333 0.031 . 1 . . . . A 82 GLU N . 36096 1 912 . 1 1 90 90 VAL H H 1 7.920 0.005 . 1 . . . . A 83 VAL H . 36096 1 913 . 1 1 90 90 VAL HA H 1 5.031 0.000 . 1 . . . . A 83 VAL HA . 36096 1 914 . 1 1 90 90 VAL HB H 1 1.274 0.000 . 1 . . . . A 83 VAL HB . 36096 1 915 . 1 1 90 90 VAL HG11 H 1 0.136 0.000 . 2 . . . . A 83 VAL HG11 . 36096 1 916 . 1 1 90 90 VAL HG12 H 1 0.136 0.000 . 2 . . . . A 83 VAL HG12 . 36096 1 917 . 1 1 90 90 VAL HG13 H 1 0.136 0.000 . 2 . . . . A 83 VAL HG13 . 36096 1 918 . 1 1 90 90 VAL HG21 H 1 0.364 0.000 . 2 . . . . A 83 VAL HG21 . 36096 1 919 . 1 1 90 90 VAL HG22 H 1 0.364 0.000 . 2 . . . . A 83 VAL HG22 . 36096 1 920 . 1 1 90 90 VAL HG23 H 1 0.364 0.000 . 2 . . . . A 83 VAL HG23 . 36096 1 921 . 1 1 90 90 VAL C C 13 174.485 0.000 . 1 . . . . A 83 VAL C . 36096 1 922 . 1 1 90 90 VAL CA C 13 59.158 0.046 . 1 . . . . A 83 VAL CA . 36096 1 923 . 1 1 90 90 VAL CB C 13 34.231 0.042 . 1 . . . . A 83 VAL CB . 36096 1 924 . 1 1 90 90 VAL CG1 C 13 21.025 0.000 . 1 . . . . A 83 VAL CG1 . 36096 1 925 . 1 1 90 90 VAL CG2 C 13 22.778 0.000 . 1 . . . . A 83 VAL CG2 . 36096 1 926 . 1 1 90 90 VAL N N 15 120.291 0.019 . 1 . . . . A 83 VAL N . 36096 1 927 . 1 1 91 91 TYR H H 1 8.722 0.004 . 1 . . . . A 84 TYR H . 36096 1 928 . 1 1 91 91 TYR HA H 1 4.651 0.000 . 1 . . . . A 84 TYR HA . 36096 1 929 . 1 1 91 91 TYR HB2 H 1 2.963 0.000 . 2 . . . . A 84 TYR HB2 . 36096 1 930 . 1 1 91 91 TYR HB3 H 1 2.551 0.000 . 2 . . . . A 84 TYR HB3 . 36096 1 931 . 1 1 91 91 TYR HD1 H 1 6.877 0.000 . 3 . . . . A 84 TYR HD1 . 36096 1 932 . 1 1 91 91 TYR HD2 H 1 6.877 0.000 . 3 . . . . A 84 TYR HD2 . 36096 1 933 . 1 1 91 91 TYR HE1 H 1 6.624 0.001 . 3 . . . . A 84 TYR HE1 . 36096 1 934 . 1 1 91 91 TYR HE2 H 1 6.624 0.001 . 3 . . . . A 84 TYR HE2 . 36096 1 935 . 1 1 91 91 TYR C C 13 173.869 0.000 . 1 . . . . A 84 TYR C . 36096 1 936 . 1 1 91 91 TYR CA C 13 56.213 0.026 . 1 . . . . A 84 TYR CA . 36096 1 937 . 1 1 91 91 TYR CB C 13 41.610 0.042 . 1 . . . . A 84 TYR CB . 36096 1 938 . 1 1 91 91 TYR CD1 C 13 132.990 0.000 . 3 . . . . A 84 TYR CD1 . 36096 1 939 . 1 1 91 91 TYR CD2 C 13 132.990 0.000 . 3 . . . . A 84 TYR CD2 . 36096 1 940 . 1 1 91 91 TYR CE1 C 13 118.188 0.000 . 3 . . . . A 84 TYR CE1 . 36096 1 941 . 1 1 91 91 TYR CE2 C 13 118.188 0.000 . 3 . . . . A 84 TYR CE2 . 36096 1 942 . 1 1 91 91 TYR N N 15 125.691 0.016 . 1 . . . . A 84 TYR N . 36096 1 943 . 1 1 92 92 GLN H H 1 8.570 0.002 . 1 . . . . A 85 GLN H . 36096 1 944 . 1 1 92 92 GLN HA H 1 4.710 0.000 . 1 . . . . A 85 GLN HA . 36096 1 945 . 1 1 92 92 GLN CA C 13 55.134 0.024 . 1 . . . . A 85 GLN CA . 36096 1 946 . 1 1 92 92 GLN CB C 13 30.220 0.041 . 1 . . . . A 85 GLN CB . 36096 1 947 . 1 1 92 92 GLN CG C 13 34.093 0.000 . 1 . . . . A 85 GLN CG . 36096 1 948 . 1 1 92 92 GLN N N 15 120.750 0.022 . 1 . . . . A 85 GLN N . 36096 1 949 . 1 1 93 93 GLU H H 1 8.669 0.002 . 1 . . . . A 86 GLU H . 36096 1 950 . 1 1 93 93 GLU HA H 1 4.303 0.000 . 1 . . . . A 86 GLU HA . 36096 1 951 . 1 1 93 93 GLU HB2 H 1 1.860 0.000 . 2 . . . . A 86 GLU HB2 . 36096 1 952 . 1 1 93 93 GLU HB3 H 1 1.717 0.000 . 2 . . . . A 86 GLU HB3 . 36096 1 953 . 1 1 93 93 GLU HG2 H 1 2.134 0.000 . 2 . . . . A 86 GLU HG2 . 36096 1 954 . 1 1 93 93 GLU HG3 H 1 2.134 0.000 . 2 . . . . A 86 GLU HG3 . 36096 1 955 . 1 1 93 93 GLU C C 13 175.828 0.000 . 1 . . . . A 86 GLU C . 36096 1 956 . 1 1 93 93 GLU CA C 13 56.087 0.026 . 1 . . . . A 86 GLU CA . 36096 1 957 . 1 1 93 93 GLU CB C 13 30.806 0.063 . 1 . . . . A 86 GLU CB . 36096 1 958 . 1 1 93 93 GLU CG C 13 35.731 0.000 . 1 . . . . A 86 GLU CG . 36096 1 959 . 1 1 93 93 GLU N N 15 125.466 0.032 . 1 . . . . A 86 GLU N . 36096 1 960 . 1 1 94 94 GLN H H 1 8.587 0.003 . 1 . . . . A 87 GLN H . 36096 1 961 . 1 1 94 94 GLN HA H 1 4.314 0.000 . 1 . . . . A 87 GLN HA . 36096 1 962 . 1 1 94 94 GLN HB2 H 1 2.027 0.000 . 2 . . . . A 87 GLN HB2 . 36096 1 963 . 1 1 94 94 GLN HB3 H 1 1.911 0.000 . 2 . . . . A 87 GLN HB3 . 36096 1 964 . 1 1 94 94 GLN HG2 H 1 2.284 0.000 . 2 . . . . A 87 GLN HG2 . 36096 1 965 . 1 1 94 94 GLN HG3 H 1 2.284 0.000 . 2 . . . . A 87 GLN HG3 . 36096 1 966 . 1 1 94 94 GLN C C 13 175.710 0.000 . 1 . . . . A 87 GLN C . 36096 1 967 . 1 1 94 94 GLN CA C 13 55.505 0.049 . 1 . . . . A 87 GLN CA . 36096 1 968 . 1 1 94 94 GLN CB C 13 29.345 0.077 . 1 . . . . A 87 GLN CB . 36096 1 969 . 1 1 94 94 GLN CG C 13 33.575 0.000 . 1 . . . . A 87 GLN CG . 36096 1 970 . 1 1 94 94 GLN N N 15 122.849 0.027 . 1 . . . . A 87 GLN N . 36096 1 971 . 1 1 95 95 LEU H H 1 8.394 0.003 . 1 . . . . A 88 LEU H . 36096 1 972 . 1 1 95 95 LEU HA H 1 4.312 0.000 . 1 . . . . A 88 LEU HA . 36096 1 973 . 1 1 95 95 LEU HB2 H 1 1.591 0.000 . 2 . . . . A 88 LEU HB2 . 36096 1 974 . 1 1 95 95 LEU HB3 H 1 1.541 0.000 . 2 . . . . A 88 LEU HB3 . 36096 1 975 . 1 1 95 95 LEU HG H 1 1.544 0.000 . 1 . . . . A 88 LEU HG . 36096 1 976 . 1 1 95 95 LEU HD11 H 1 0.843 0.000 . 2 . . . . A 88 LEU HD11 . 36096 1 977 . 1 1 95 95 LEU HD12 H 1 0.843 0.000 . 2 . . . . A 88 LEU HD12 . 36096 1 978 . 1 1 95 95 LEU HD13 H 1 0.843 0.000 . 2 . . . . A 88 LEU HD13 . 36096 1 979 . 1 1 95 95 LEU HD21 H 1 0.784 0.000 . 2 . . . . A 88 LEU HD21 . 36096 1 980 . 1 1 95 95 LEU HD22 H 1 0.784 0.000 . 2 . . . . A 88 LEU HD22 . 36096 1 981 . 1 1 95 95 LEU HD23 H 1 0.784 0.000 . 2 . . . . A 88 LEU HD23 . 36096 1 982 . 1 1 95 95 LEU C C 13 177.832 0.000 . 1 . . . . A 88 LEU C . 36096 1 983 . 1 1 95 95 LEU CA C 13 55.221 0.017 . 1 . . . . A 88 LEU CA . 36096 1 984 . 1 1 95 95 LEU CB C 13 42.278 0.009 . 1 . . . . A 88 LEU CB . 36096 1 985 . 1 1 95 95 LEU CG C 13 26.947 0.000 . 1 . . . . A 88 LEU CG . 36096 1 986 . 1 1 95 95 LEU CD1 C 13 24.747 0.000 . 2 . . . . A 88 LEU CD1 . 36096 1 987 . 1 1 95 95 LEU CD2 C 13 23.260 0.000 . 2 . . . . A 88 LEU CD2 . 36096 1 988 . 1 1 95 95 LEU N N 15 124.586 0.023 . 1 . . . . A 88 LEU N . 36096 1 989 . 1 1 96 96 GLY H H 1 8.407 0.003 . 1 . . . . A 89 GLY H . 36096 1 990 . 1 1 96 96 GLY HA2 H 1 3.877 0.002 . 2 . . . . A 89 GLY HA2 . 36096 1 991 . 1 1 96 96 GLY HA3 H 1 3.877 0.002 . 2 . . . . A 89 GLY HA3 . 36096 1 992 . 1 1 96 96 GLY C C 13 173.623 0.000 . 1 . . . . A 89 GLY C . 36096 1 993 . 1 1 96 96 GLY CA C 13 45.271 0.016 . 1 . . . . A 89 GLY CA . 36096 1 994 . 1 1 96 96 GLY N N 15 110.398 0.013 . 1 . . . . A 89 GLY N . 36096 1 995 . 1 1 97 97 GLY H H 1 7.878 0.002 . 1 . . . . A 90 GLY H . 36096 1 996 . 1 1 97 97 GLY HA2 H 1 3.687 0.000 . 2 . . . . A 90 GLY HA2 . 36096 1 997 . 1 1 97 97 GLY HA3 H 1 3.687 0.000 . 2 . . . . A 90 GLY HA3 . 36096 1 998 . 1 1 97 97 GLY CA C 13 45.960 0.007 . 1 . . . . A 90 GLY CA . 36096 1 999 . 1 1 97 97 GLY N N 15 115.122 0.012 . 1 . . . . A 90 GLY N . 36096 1 stop_ save_