data_30097 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30097 _Entry.Title ; HDD domain from human Ddi2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-23 _Entry.Accession_date 2016-05-23 _Entry.Last_release_date 2016-08-08 _Entry.Original_release_date 2016-08-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 V. Veverka V. . . . 30097 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ddi2 . 30097 hydrolase . 30097 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30097 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 405 30097 '15N chemical shifts' 103 30097 '1H chemical shifts' 682 30097 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 . . 2016-08-08 . original BMRB . 30097 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5K57 'BMRB Entry Tracking System' 30097 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30097 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; HDD domain from human Ddi2 ; _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 V. Veverka V. . . . 30097 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30097 _Assembly.ID 1 _Assembly.Name 'Protein DDI1 homolog 2' _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 . . . . . . 30097 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30097 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Protein DDI1 homolog 2' _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 ; SQQSHSSPGEITSSPQGLDN PALLRDMLLANPHELSLLKE RNPPLAEALLSGDLEKFSRV LVEQQQDRARREQERIRLFS ADPFDLEAQAKIEEDIRQ ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11130.358 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 SER . 30097 1 2 2 GLN . 30097 1 3 3 GLN . 30097 1 4 4 SER . 30097 1 5 5 HIS . 30097 1 6 6 SER . 30097 1 7 7 SER . 30097 1 8 8 PRO . 30097 1 9 9 GLY . 30097 1 10 10 GLU . 30097 1 11 11 ILE . 30097 1 12 12 THR . 30097 1 13 13 SER . 30097 1 14 14 SER . 30097 1 15 15 PRO . 30097 1 16 16 GLN . 30097 1 17 17 GLY . 30097 1 18 18 LEU . 30097 1 19 19 ASP . 30097 1 20 20 ASN . 30097 1 21 21 PRO . 30097 1 22 22 ALA . 30097 1 23 23 LEU . 30097 1 24 24 LEU . 30097 1 25 25 ARG . 30097 1 26 26 ASP . 30097 1 27 27 MET . 30097 1 28 28 LEU . 30097 1 29 29 LEU . 30097 1 30 30 ALA . 30097 1 31 31 ASN . 30097 1 32 32 PRO . 30097 1 33 33 HIS . 30097 1 34 34 GLU . 30097 1 35 35 LEU . 30097 1 36 36 SER . 30097 1 37 37 LEU . 30097 1 38 38 LEU . 30097 1 39 39 LYS . 30097 1 40 40 GLU . 30097 1 41 41 ARG . 30097 1 42 42 ASN . 30097 1 43 43 PRO . 30097 1 44 44 PRO . 30097 1 45 45 LEU . 30097 1 46 46 ALA . 30097 1 47 47 GLU . 30097 1 48 48 ALA . 30097 1 49 49 LEU . 30097 1 50 50 LEU . 30097 1 51 51 SER . 30097 1 52 52 GLY . 30097 1 53 53 ASP . 30097 1 54 54 LEU . 30097 1 55 55 GLU . 30097 1 56 56 LYS . 30097 1 57 57 PHE . 30097 1 58 58 SER . 30097 1 59 59 ARG . 30097 1 60 60 VAL . 30097 1 61 61 LEU . 30097 1 62 62 VAL . 30097 1 63 63 GLU . 30097 1 64 64 GLN . 30097 1 65 65 GLN . 30097 1 66 66 GLN . 30097 1 67 67 ASP . 30097 1 68 68 ARG . 30097 1 69 69 ALA . 30097 1 70 70 ARG . 30097 1 71 71 ARG . 30097 1 72 72 GLU . 30097 1 73 73 GLN . 30097 1 74 74 GLU . 30097 1 75 75 ARG . 30097 1 76 76 ILE . 30097 1 77 77 ARG . 30097 1 78 78 LEU . 30097 1 79 79 PHE . 30097 1 80 80 SER . 30097 1 81 81 ALA . 30097 1 82 82 ASP . 30097 1 83 83 PRO . 30097 1 84 84 PHE . 30097 1 85 85 ASP . 30097 1 86 86 LEU . 30097 1 87 87 GLU . 30097 1 88 88 ALA . 30097 1 89 89 GLN . 30097 1 90 90 ALA . 30097 1 91 91 LYS . 30097 1 92 92 ILE . 30097 1 93 93 GLU . 30097 1 94 94 GLU . 30097 1 95 95 ASP . 30097 1 96 96 ILE . 30097 1 97 97 ARG . 30097 1 98 98 GLN . 30097 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 . SER 1 1 30097 1 . GLN 2 2 30097 1 . GLN 3 3 30097 1 . SER 4 4 30097 1 . HIS 5 5 30097 1 . SER 6 6 30097 1 . SER 7 7 30097 1 . PRO 8 8 30097 1 . GLY 9 9 30097 1 . GLU 10 10 30097 1 . ILE 11 11 30097 1 . THR 12 12 30097 1 . SER 13 13 30097 1 . SER 14 14 30097 1 . PRO 15 15 30097 1 . GLN 16 16 30097 1 . GLY 17 17 30097 1 . LEU 18 18 30097 1 . ASP 19 19 30097 1 . ASN 20 20 30097 1 . PRO 21 21 30097 1 . ALA 22 22 30097 1 . LEU 23 23 30097 1 . LEU 24 24 30097 1 . ARG 25 25 30097 1 . ASP 26 26 30097 1 . MET 27 27 30097 1 . LEU 28 28 30097 1 . LEU 29 29 30097 1 . ALA 30 30 30097 1 . ASN 31 31 30097 1 . PRO 32 32 30097 1 . HIS 33 33 30097 1 . GLU 34 34 30097 1 . LEU 35 35 30097 1 . SER 36 36 30097 1 . LEU 37 37 30097 1 . LEU 38 38 30097 1 . LYS 39 39 30097 1 . GLU 40 40 30097 1 . ARG 41 41 30097 1 . ASN 42 42 30097 1 . PRO 43 43 30097 1 . PRO 44 44 30097 1 . LEU 45 45 30097 1 . ALA 46 46 30097 1 . GLU 47 47 30097 1 . ALA 48 48 30097 1 . LEU 49 49 30097 1 . LEU 50 50 30097 1 . SER 51 51 30097 1 . GLY 52 52 30097 1 . ASP 53 53 30097 1 . LEU 54 54 30097 1 . GLU 55 55 30097 1 . LYS 56 56 30097 1 . PHE 57 57 30097 1 . SER 58 58 30097 1 . ARG 59 59 30097 1 . VAL 60 60 30097 1 . LEU 61 61 30097 1 . VAL 62 62 30097 1 . GLU 63 63 30097 1 . GLN 64 64 30097 1 . GLN 65 65 30097 1 . GLN 66 66 30097 1 . ASP 67 67 30097 1 . ARG 68 68 30097 1 . ALA 69 69 30097 1 . ARG 70 70 30097 1 . ARG 71 71 30097 1 . GLU 72 72 30097 1 . GLN 73 73 30097 1 . GLU 74 74 30097 1 . ARG 75 75 30097 1 . ILE 76 76 30097 1 . ARG 77 77 30097 1 . LEU 78 78 30097 1 . PHE 79 79 30097 1 . SER 80 80 30097 1 . ALA 81 81 30097 1 . ASP 82 82 30097 1 . PRO 83 83 30097 1 . PHE 84 84 30097 1 . ASP 85 85 30097 1 . LEU 86 86 30097 1 . GLU 87 87 30097 1 . ALA 88 88 30097 1 . GLN 89 89 30097 1 . ALA 90 90 30097 1 . LYS 91 91 30097 1 . ILE 92 92 30097 1 . GLU 93 93 30097 1 . GLU 94 94 30097 1 . ASP 95 95 30097 1 . ILE 96 96 30097 1 . ARG 97 97 30097 1 . GLN 98 98 30097 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 30097 _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 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . DDI2 . 30097 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 30097 _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 . . . . . . . . . . 30097 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30097 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '280 uM [U-13C; U-15N] hdd, 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 hdd '[U-13C; U-15N]' . . 1 $entity_1 . . 280 . . uM . . . . 30097 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30097 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30097 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 30097 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 30097 1 pH 7.4 . pH 30097 1 pressure 1 . atm 30097 1 temperature 298 . K 30097 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30097 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30097 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30097 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30097 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30097 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30097 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30097 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30097 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30097 3 processing 30097 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30097 _Software.ID 4 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hoegenauer, Koraimann, Kungl, Vriend' . . 30097 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30097 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 30097 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30097 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30097 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 850 . . . 30097 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 30097 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 30097 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30097 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30097 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30097 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30097 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30097 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30097 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30097 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30097 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 30097 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30097 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30097 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30097 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 30097 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 30097 1 2 '3D CBCA(CO)NH' . . . 30097 1 3 '3D HNCACB' . . . 30097 1 4 '3D HNCO' . . . 30097 1 5 '3D HN(CA)CO' . . . 30097 1 6 '3D HCCH-TOCSY' . . . 30097 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30097 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.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 2 2 GLN HA H 1 4.391 0.200 . . . . . A 2 GLN HA . 30097 1 2 . 1 1 2 2 GLN HB2 H 1 2.113 0.200 . . . . . A 2 GLN HB2 . 30097 1 3 . 1 1 2 2 GLN HB3 H 1 2.001 0.200 . . . . . A 2 GLN HB3 . 30097 1 4 . 1 1 2 2 GLN C C 13 175.849 0.200 . . . . . A 2 GLN C . 30097 1 5 . 1 1 2 2 GLN CA C 13 56.117 0.200 . . . . . A 2 GLN CA . 30097 1 6 . 1 1 2 2 GLN CB C 13 29.504 0.200 . . . . . A 2 GLN CB . 30097 1 7 . 1 1 2 2 GLN CG C 13 33.817 0.200 . . . . . A 2 GLN CG . 30097 1 8 . 1 1 3 3 GLN H H 1 8.554 0.200 . . . . . A 3 GLN H . 30097 1 9 . 1 1 3 3 GLN HA H 1 4.347 0.200 . . . . . A 3 GLN HA . 30097 1 10 . 1 1 3 3 GLN HB2 H 1 2.072 0.200 . . . . . A 3 GLN HB2 . 30097 1 11 . 1 1 3 3 GLN HB3 H 1 1.965 0.200 . . . . . A 3 GLN HB3 . 30097 1 12 . 1 1 3 3 GLN C C 13 175.931 0.200 . . . . . A 3 GLN C . 30097 1 13 . 1 1 3 3 GLN CA C 13 56.011 0.200 . . . . . A 3 GLN CA . 30097 1 14 . 1 1 3 3 GLN CB C 13 29.506 0.200 . . . . . A 3 GLN CB . 30097 1 15 . 1 1 3 3 GLN CG C 13 33.851 0.200 . . . . . A 3 GLN CG . 30097 1 16 . 1 1 3 3 GLN N N 15 121.991 0.200 . . . . . A 3 GLN N . 30097 1 17 . 1 1 4 4 SER H H 1 8.389 0.200 . . . . . A 4 SER H . 30097 1 18 . 1 1 4 4 SER HA H 1 4.406 0.200 . . . . . A 4 SER HA . 30097 1 19 . 1 1 4 4 SER HB2 H 1 3.826 0.200 . . . . . A 4 SER HB2 . 30097 1 20 . 1 1 4 4 SER HB3 H 1 3.826 0.200 . . . . . A 4 SER HB3 . 30097 1 21 . 1 1 4 4 SER C C 13 174.272 0.200 . . . . . A 4 SER C . 30097 1 22 . 1 1 4 4 SER CA C 13 58.386 0.200 . . . . . A 4 SER CA . 30097 1 23 . 1 1 4 4 SER CB C 13 63.843 0.200 . . . . . A 4 SER CB . 30097 1 24 . 1 1 4 4 SER N N 15 117.281 0.200 . . . . . A 4 SER N . 30097 1 25 . 1 1 5 5 HIS H H 1 8.462 0.200 . . . . . A 5 HIS H . 30097 1 26 . 1 1 5 5 HIS HA H 1 4.731 0.200 . . . . . A 5 HIS HA . 30097 1 27 . 1 1 5 5 HIS HB2 H 1 3.233 0.200 . . . . . A 5 HIS HB2 . 30097 1 28 . 1 1 5 5 HIS HB3 H 1 3.120 0.200 . . . . . A 5 HIS HB3 . 30097 1 29 . 1 1 5 5 HIS HD2 H 1 7.142 0.200 . . . . . A 5 HIS HD2 . 30097 1 30 . 1 1 5 5 HIS C C 13 174.842 0.200 . . . . . A 5 HIS C . 30097 1 31 . 1 1 5 5 HIS CA C 13 55.895 0.200 . . . . . A 5 HIS CA . 30097 1 32 . 1 1 5 5 HIS CB C 13 30.164 0.200 . . . . . A 5 HIS CB . 30097 1 33 . 1 1 5 5 HIS N N 15 121.070 0.200 . . . . . A 5 HIS N . 30097 1 34 . 1 1 6 6 SER H H 1 8.307 0.200 . . . . . A 6 SER H . 30097 1 35 . 1 1 6 6 SER HA H 1 4.491 0.200 . . . . . A 6 SER HA . 30097 1 36 . 1 1 6 6 SER HB2 H 1 3.823 0.200 . . . . . A 6 SER HB2 . 30097 1 37 . 1 1 6 6 SER HB3 H 1 3.823 0.200 . . . . . A 6 SER HB3 . 30097 1 38 . 1 1 6 6 SER C C 13 174.038 0.200 . . . . . A 6 SER C . 30097 1 39 . 1 1 6 6 SER CA C 13 58.318 0.200 . . . . . A 6 SER CA . 30097 1 40 . 1 1 6 6 SER CB C 13 64.027 0.200 . . . . . A 6 SER CB . 30097 1 41 . 1 1 6 6 SER N N 15 116.966 0.200 . . . . . A 6 SER N . 30097 1 42 . 1 1 7 7 SER H H 1 8.448 0.200 . . . . . A 7 SER H . 30097 1 43 . 1 1 7 7 SER HA H 1 4.493 0.200 . . . . . A 7 SER HA . 30097 1 44 . 1 1 7 7 SER HB2 H 1 3.876 0.200 . . . . . A 7 SER HB2 . 30097 1 45 . 1 1 7 7 SER HB3 H 1 3.876 0.200 . . . . . A 7 SER HB3 . 30097 1 46 . 1 1 7 7 SER C C 13 172.835 0.200 . . . . . A 7 SER C . 30097 1 47 . 1 1 7 7 SER CA C 13 56.520 0.200 . . . . . A 7 SER CA . 30097 1 48 . 1 1 7 7 SER CB C 13 63.480 0.200 . . . . . A 7 SER CB . 30097 1 49 . 1 1 7 7 SER N N 15 119.074 0.200 . . . . . A 7 SER N . 30097 1 50 . 1 1 8 8 PRO HA H 1 4.416 0.200 . . . . . A 8 PRO HA . 30097 1 51 . 1 1 8 8 PRO HB2 H 1 2.295 0.200 . . . . . A 8 PRO HB2 . 30097 1 52 . 1 1 8 8 PRO HB3 H 1 1.956 0.200 . . . . . A 8 PRO HB3 . 30097 1 53 . 1 1 8 8 PRO HG2 H 1 2.061 0.200 . . . . . A 8 PRO HG2 . 30097 1 54 . 1 1 8 8 PRO HG3 H 1 2.061 0.200 . . . . . A 8 PRO HG3 . 30097 1 55 . 1 1 8 8 PRO HD2 H 1 3.844 0.200 . . . . . A 8 PRO HD2 . 30097 1 56 . 1 1 8 8 PRO HD3 H 1 3.743 0.200 . . . . . A 8 PRO HD3 . 30097 1 57 . 1 1 8 8 PRO C C 13 177.517 0.200 . . . . . A 8 PRO C . 30097 1 58 . 1 1 8 8 PRO CA C 13 63.889 0.200 . . . . . A 8 PRO CA . 30097 1 59 . 1 1 8 8 PRO CB C 13 31.971 0.200 . . . . . A 8 PRO CB . 30097 1 60 . 1 1 8 8 PRO CG C 13 27.477 0.200 . . . . . A 8 PRO CG . 30097 1 61 . 1 1 8 8 PRO CD C 13 50.725 0.200 . . . . . A 8 PRO CD . 30097 1 62 . 1 1 9 9 GLY H H 1 8.473 0.200 . . . . . A 9 GLY H . 30097 1 63 . 1 1 9 9 GLY HA2 H 1 3.928 0.200 . . . . . A 9 GLY HA2 . 30097 1 64 . 1 1 9 9 GLY HA3 H 1 3.928 0.200 . . . . . A 9 GLY HA3 . 30097 1 65 . 1 1 9 9 GLY C C 13 174.075 0.200 . . . . . A 9 GLY C . 30097 1 66 . 1 1 9 9 GLY CA C 13 45.312 0.200 . . . . . A 9 GLY CA . 30097 1 67 . 1 1 9 9 GLY N N 15 108.935 0.200 . . . . . A 9 GLY N . 30097 1 68 . 1 1 10 10 GLU H H 1 8.066 0.200 . . . . . A 10 GLU H . 30097 1 69 . 1 1 10 10 GLU HA H 1 4.313 0.200 . . . . . A 10 GLU HA . 30097 1 70 . 1 1 10 10 GLU HB2 H 1 2.045 0.200 . . . . . A 10 GLU HB2 . 30097 1 71 . 1 1 10 10 GLU HB3 H 1 1.953 0.200 . . . . . A 10 GLU HB3 . 30097 1 72 . 1 1 10 10 GLU HG2 H 1 2.214 0.200 . . . . . A 10 GLU HG2 . 30097 1 73 . 1 1 10 10 GLU HG3 H 1 2.214 0.200 . . . . . A 10 GLU HG3 . 30097 1 74 . 1 1 10 10 GLU C C 13 176.783 0.200 . . . . . A 10 GLU C . 30097 1 75 . 1 1 10 10 GLU CA C 13 56.488 0.200 . . . . . A 10 GLU CA . 30097 1 76 . 1 1 10 10 GLU CB C 13 30.455 0.200 . . . . . A 10 GLU CB . 30097 1 77 . 1 1 10 10 GLU CG C 13 36.274 0.200 . . . . . A 10 GLU CG . 30097 1 78 . 1 1 10 10 GLU N N 15 120.443 0.200 . . . . . A 10 GLU N . 30097 1 79 . 1 1 11 11 ILE H H 1 8.318 0.200 . . . . . A 11 ILE H . 30097 1 80 . 1 1 11 11 ILE HA H 1 4.208 0.200 . . . . . A 11 ILE HA . 30097 1 81 . 1 1 11 11 ILE HB H 1 1.896 0.200 . . . . . A 11 ILE HB . 30097 1 82 . 1 1 11 11 ILE HG12 H 1 1.496 0.200 . . . . . A 11 ILE HG12 . 30097 1 83 . 1 1 11 11 ILE HG13 H 1 1.203 0.200 . . . . . A 11 ILE HG13 . 30097 1 84 . 1 1 11 11 ILE HG21 H 1 0.907 0.200 . . . . . A 11 ILE HG21 . 30097 1 85 . 1 1 11 11 ILE HG22 H 1 0.907 0.200 . . . . . A 11 ILE HG22 . 30097 1 86 . 1 1 11 11 ILE HG23 H 1 0.907 0.200 . . . . . A 11 ILE HG23 . 30097 1 87 . 1 1 11 11 ILE HD11 H 1 0.856 0.200 . . . . . A 11 ILE HD11 . 30097 1 88 . 1 1 11 11 ILE HD12 H 1 0.856 0.200 . . . . . A 11 ILE HD12 . 30097 1 89 . 1 1 11 11 ILE HD13 H 1 0.856 0.200 . . . . . A 11 ILE HD13 . 30097 1 90 . 1 1 11 11 ILE C C 13 176.588 0.200 . . . . . A 11 ILE C . 30097 1 91 . 1 1 11 11 ILE CA C 13 61.565 0.200 . . . . . A 11 ILE CA . 30097 1 92 . 1 1 11 11 ILE CB C 13 38.518 0.200 . . . . . A 11 ILE CB . 30097 1 93 . 1 1 11 11 ILE CG1 C 13 27.399 0.200 . . . . . A 11 ILE CG1 . 30097 1 94 . 1 1 11 11 ILE CG2 C 13 17.588 0.200 . . . . . A 11 ILE CG2 . 30097 1 95 . 1 1 11 11 ILE CD1 C 13 13.003 0.200 . . . . . A 11 ILE CD1 . 30097 1 96 . 1 1 11 11 ILE N N 15 122.158 0.200 . . . . . A 11 ILE N . 30097 1 97 . 1 1 12 12 THR H H 1 8.184 0.200 . . . . . A 12 THR H . 30097 1 98 . 1 1 12 12 THR HA H 1 4.378 0.200 . . . . . A 12 THR HA . 30097 1 99 . 1 1 12 12 THR HB H 1 4.252 0.200 . . . . . A 12 THR HB . 30097 1 100 . 1 1 12 12 THR HG21 H 1 1.202 0.200 . . . . . A 12 THR HG21 . 30097 1 101 . 1 1 12 12 THR HG22 H 1 1.202 0.200 . . . . . A 12 THR HG22 . 30097 1 102 . 1 1 12 12 THR HG23 H 1 1.202 0.200 . . . . . A 12 THR HG23 . 30097 1 103 . 1 1 12 12 THR C C 13 174.315 0.200 . . . . . A 12 THR C . 30097 1 104 . 1 1 12 12 THR CA C 13 61.858 0.200 . . . . . A 12 THR CA . 30097 1 105 . 1 1 12 12 THR CB C 13 69.713 0.200 . . . . . A 12 THR CB . 30097 1 106 . 1 1 12 12 THR CG2 C 13 21.650 0.200 . . . . . A 12 THR CG2 . 30097 1 107 . 1 1 12 12 THR N N 15 116.998 0.200 . . . . . A 12 THR N . 30097 1 108 . 1 1 13 13 SER H H 1 8.224 0.200 . . . . . A 13 SER H . 30097 1 109 . 1 1 13 13 SER HA H 1 4.509 0.200 . . . . . A 13 SER HA . 30097 1 110 . 1 1 13 13 SER HB2 H 1 3.865 0.200 . . . . . A 13 SER HB2 . 30097 1 111 . 1 1 13 13 SER HB3 H 1 3.865 0.200 . . . . . A 13 SER HB3 . 30097 1 112 . 1 1 13 13 SER C C 13 174.036 0.200 . . . . . A 13 SER C . 30097 1 113 . 1 1 13 13 SER CA C 13 58.180 0.200 . . . . . A 13 SER CA . 30097 1 114 . 1 1 13 13 SER CB C 13 63.989 0.200 . . . . . A 13 SER CB . 30097 1 115 . 1 1 13 13 SER N N 15 117.631 0.200 . . . . . A 13 SER N . 30097 1 116 . 1 1 14 14 SER H H 1 8.261 0.200 . . . . . A 14 SER H . 30097 1 117 . 1 1 14 14 SER HA H 1 4.514 0.200 . . . . . A 14 SER HA . 30097 1 118 . 1 1 14 14 SER HB2 H 1 3.855 0.200 . . . . . A 14 SER HB2 . 30097 1 119 . 1 1 14 14 SER HB3 H 1 3.855 0.200 . . . . . A 14 SER HB3 . 30097 1 120 . 1 1 14 14 SER C C 13 172.973 0.200 . . . . . A 14 SER C . 30097 1 121 . 1 1 14 14 SER CA C 13 56.447 0.200 . . . . . A 14 SER CA . 30097 1 122 . 1 1 14 14 SER CB C 13 63.575 0.200 . . . . . A 14 SER CB . 30097 1 123 . 1 1 14 14 SER N N 15 118.522 0.200 . . . . . A 14 SER N . 30097 1 124 . 1 1 15 15 PRO HA H 1 4.420 0.200 . . . . . A 15 PRO HA . 30097 1 125 . 1 1 15 15 PRO HB2 H 1 2.296 0.200 . . . . . A 15 PRO HB2 . 30097 1 126 . 1 1 15 15 PRO HB3 H 1 1.910 0.200 . . . . . A 15 PRO HB3 . 30097 1 127 . 1 1 15 15 PRO HG2 H 1 2.019 0.200 . . . . . A 15 PRO HG2 . 30097 1 128 . 1 1 15 15 PRO HG3 H 1 2.019 0.200 . . . . . A 15 PRO HG3 . 30097 1 129 . 1 1 15 15 PRO HD2 H 1 3.845 0.200 . . . . . A 15 PRO HD2 . 30097 1 130 . 1 1 15 15 PRO HD3 H 1 3.732 0.200 . . . . . A 15 PRO HD3 . 30097 1 131 . 1 1 15 15 PRO C C 13 177.065 0.200 . . . . . A 15 PRO C . 30097 1 132 . 1 1 15 15 PRO CA C 13 63.737 0.200 . . . . . A 15 PRO CA . 30097 1 133 . 1 1 15 15 PRO CB C 13 31.953 0.200 . . . . . A 15 PRO CB . 30097 1 134 . 1 1 15 15 PRO CG C 13 27.478 0.200 . . . . . A 15 PRO CG . 30097 1 135 . 1 1 15 15 PRO CD C 13 50.773 0.200 . . . . . A 15 PRO CD . 30097 1 136 . 1 1 16 16 GLN H H 1 8.451 0.200 . . . . . A 16 GLN H . 30097 1 137 . 1 1 16 16 GLN HA H 1 4.307 0.200 . . . . . A 16 GLN HA . 30097 1 138 . 1 1 16 16 GLN HB2 H 1 2.119 0.200 . . . . . A 16 GLN HB2 . 30097 1 139 . 1 1 16 16 GLN HB3 H 1 1.972 0.200 . . . . . A 16 GLN HB3 . 30097 1 140 . 1 1 16 16 GLN HG2 H 1 2.389 0.200 . . . . . A 16 GLN HG2 . 30097 1 141 . 1 1 16 16 GLN HG3 H 1 2.389 0.200 . . . . . A 16 GLN HG3 . 30097 1 142 . 1 1 16 16 GLN HE21 H 1 7.536 0.200 . . . . . A 16 GLN HE21 . 30097 1 143 . 1 1 16 16 GLN HE22 H 1 6.850 0.200 . . . . . A 16 GLN HE22 . 30097 1 144 . 1 1 16 16 GLN C C 13 176.643 0.200 . . . . . A 16 GLN C . 30097 1 145 . 1 1 16 16 GLN CA C 13 56.242 0.200 . . . . . A 16 GLN CA . 30097 1 146 . 1 1 16 16 GLN CB C 13 29.508 0.200 . . . . . A 16 GLN CB . 30097 1 147 . 1 1 16 16 GLN CG C 13 33.976 0.200 . . . . . A 16 GLN CG . 30097 1 148 . 1 1 16 16 GLN N N 15 119.701 0.200 . . . . . A 16 GLN N . 30097 1 149 . 1 1 16 16 GLN NE2 N 15 112.539 0.200 . . . . . A 16 GLN NE2 . 30097 1 150 . 1 1 17 17 GLY H H 1 8.367 0.200 . . . . . A 17 GLY H . 30097 1 151 . 1 1 17 17 GLY HA2 H 1 3.921 0.200 . . . . . A 17 GLY HA2 . 30097 1 152 . 1 1 17 17 GLY HA3 H 1 3.921 0.200 . . . . . A 17 GLY HA3 . 30097 1 153 . 1 1 17 17 GLY C C 13 174.259 0.200 . . . . . A 17 GLY C . 30097 1 154 . 1 1 17 17 GLY CA C 13 45.874 0.200 . . . . . A 17 GLY CA . 30097 1 155 . 1 1 17 17 GLY N N 15 109.422 0.200 . . . . . A 17 GLY N . 30097 1 156 . 1 1 18 18 LEU H H 1 7.993 0.200 . . . . . A 18 LEU H . 30097 1 157 . 1 1 18 18 LEU HA H 1 4.225 0.200 . . . . . A 18 LEU HA . 30097 1 158 . 1 1 18 18 LEU HB2 H 1 1.604 0.200 . . . . . A 18 LEU HB2 . 30097 1 159 . 1 1 18 18 LEU HB3 H 1 1.604 0.200 . . . . . A 18 LEU HB3 . 30097 1 160 . 1 1 18 18 LEU HG H 1 1.602 0.200 . . . . . A 18 LEU HG . 30097 1 161 . 1 1 18 18 LEU HD11 H 1 0.878 0.200 . . . . . A 18 LEU HD11 . 30097 1 162 . 1 1 18 18 LEU HD12 H 1 0.878 0.200 . . . . . A 18 LEU HD12 . 30097 1 163 . 1 1 18 18 LEU HD13 H 1 0.878 0.200 . . . . . A 18 LEU HD13 . 30097 1 164 . 1 1 18 18 LEU HD21 H 1 0.816 0.200 . . . . . A 18 LEU HD21 . 30097 1 165 . 1 1 18 18 LEU HD22 H 1 0.816 0.200 . . . . . A 18 LEU HD22 . 30097 1 166 . 1 1 18 18 LEU HD23 H 1 0.816 0.200 . . . . . A 18 LEU HD23 . 30097 1 167 . 1 1 18 18 LEU C C 13 176.727 0.200 . . . . . A 18 LEU C . 30097 1 168 . 1 1 18 18 LEU CA C 13 55.456 0.200 . . . . . A 18 LEU CA . 30097 1 169 . 1 1 18 18 LEU CB C 13 41.943 0.200 . . . . . A 18 LEU CB . 30097 1 170 . 1 1 18 18 LEU CG C 13 27.163 0.200 . . . . . A 18 LEU CG . 30097 1 171 . 1 1 18 18 LEU CD1 C 13 25.192 0.200 . . . . . A 18 LEU CD1 . 30097 1 172 . 1 1 18 18 LEU CD2 C 13 23.606 0.200 . . . . . A 18 LEU CD2 . 30097 1 173 . 1 1 18 18 LEU N N 15 120.477 0.200 . . . . . A 18 LEU N . 30097 1 174 . 1 1 19 19 ASP H H 1 8.180 0.200 . . . . . A 19 ASP H . 30097 1 175 . 1 1 19 19 ASP HA H 1 4.509 0.200 . . . . . A 19 ASP HA . 30097 1 176 . 1 1 19 19 ASP HB2 H 1 2.641 0.200 . . . . . A 19 ASP HB2 . 30097 1 177 . 1 1 19 19 ASP HB3 H 1 2.641 0.200 . . . . . A 19 ASP HB3 . 30097 1 178 . 1 1 19 19 ASP C C 13 175.868 0.200 . . . . . A 19 ASP C . 30097 1 179 . 1 1 19 19 ASP CA C 13 54.684 0.200 . . . . . A 19 ASP CA . 30097 1 180 . 1 1 19 19 ASP CB C 13 41.033 0.200 . . . . . A 19 ASP CB . 30097 1 181 . 1 1 19 19 ASP N N 15 118.232 0.200 . . . . . A 19 ASP N . 30097 1 182 . 1 1 20 20 ASN H H 1 7.942 0.200 . . . . . A 20 ASN H . 30097 1 183 . 1 1 20 20 ASN HA H 1 4.951 0.200 . . . . . A 20 ASN HA . 30097 1 184 . 1 1 20 20 ASN HB2 H 1 3.037 0.200 . . . . . A 20 ASN HB2 . 30097 1 185 . 1 1 20 20 ASN HB3 H 1 2.779 0.200 . . . . . A 20 ASN HB3 . 30097 1 186 . 1 1 20 20 ASN HD21 H 1 7.833 0.200 . . . . . A 20 ASN HD21 . 30097 1 187 . 1 1 20 20 ASN HD22 H 1 7.042 0.200 . . . . . A 20 ASN HD22 . 30097 1 188 . 1 1 20 20 ASN C C 13 173.540 0.200 . . . . . A 20 ASN C . 30097 1 189 . 1 1 20 20 ASN CA C 13 51.167 0.200 . . . . . A 20 ASN CA . 30097 1 190 . 1 1 20 20 ASN CB C 13 38.856 0.200 . . . . . A 20 ASN CB . 30097 1 191 . 1 1 20 20 ASN N N 15 117.296 0.200 . . . . . A 20 ASN N . 30097 1 192 . 1 1 20 20 ASN ND2 N 15 112.838 0.200 . . . . . A 20 ASN ND2 . 30097 1 193 . 1 1 21 21 PRO HA H 1 4.239 0.200 . . . . . A 21 PRO HA . 30097 1 194 . 1 1 21 21 PRO HB2 H 1 2.239 0.200 . . . . . A 21 PRO HB2 . 30097 1 195 . 1 1 21 21 PRO HB3 H 1 2.035 0.200 . . . . . A 21 PRO HB3 . 30097 1 196 . 1 1 21 21 PRO HG2 H 1 2.181 0.200 . . . . . A 21 PRO HG2 . 30097 1 197 . 1 1 21 21 PRO HG3 H 1 2.029 0.200 . . . . . A 21 PRO HG3 . 30097 1 198 . 1 1 21 21 PRO HD2 H 1 3.886 0.200 . . . . . A 21 PRO HD2 . 30097 1 199 . 1 1 21 21 PRO HD3 H 1 3.853 0.200 . . . . . A 21 PRO HD3 . 30097 1 200 . 1 1 21 21 PRO C C 13 177.401 0.200 . . . . . A 21 PRO C . 30097 1 201 . 1 1 21 21 PRO CA C 13 65.424 0.200 . . . . . A 21 PRO CA . 30097 1 202 . 1 1 21 21 PRO CB C 13 32.350 0.200 . . . . . A 21 PRO CB . 30097 1 203 . 1 1 21 21 PRO CG C 13 27.573 0.200 . . . . . A 21 PRO CG . 30097 1 204 . 1 1 21 21 PRO CD C 13 50.612 0.200 . . . . . A 21 PRO CD . 30097 1 205 . 1 1 22 22 ALA H H 1 8.156 0.200 . . . . . A 22 ALA H . 30097 1 206 . 1 1 22 22 ALA HA H 1 3.960 0.200 . . . . . A 22 ALA HA . 30097 1 207 . 1 1 22 22 ALA HB1 H 1 1.480 0.200 . . . . . A 22 ALA HB1 . 30097 1 208 . 1 1 22 22 ALA HB2 H 1 1.480 0.200 . . . . . A 22 ALA HB2 . 30097 1 209 . 1 1 22 22 ALA HB3 H 1 1.480 0.200 . . . . . A 22 ALA HB3 . 30097 1 210 . 1 1 22 22 ALA C C 13 179.468 0.200 . . . . . A 22 ALA C . 30097 1 211 . 1 1 22 22 ALA CA C 13 55.413 0.200 . . . . . A 22 ALA CA . 30097 1 212 . 1 1 22 22 ALA CB C 13 18.137 0.200 . . . . . A 22 ALA CB . 30097 1 213 . 1 1 22 22 ALA N N 15 119.046 0.200 . . . . . A 22 ALA N . 30097 1 214 . 1 1 23 23 LEU H H 1 7.330 0.200 . . . . . A 23 LEU H . 30097 1 215 . 1 1 23 23 LEU HA H 1 4.192 0.200 . . . . . A 23 LEU HA . 30097 1 216 . 1 1 23 23 LEU HB2 H 1 1.707 0.200 . . . . . A 23 LEU HB2 . 30097 1 217 . 1 1 23 23 LEU HB3 H 1 1.685 0.200 . . . . . A 23 LEU HB3 . 30097 1 218 . 1 1 23 23 LEU HG H 1 1.648 0.200 . . . . . A 23 LEU HG . 30097 1 219 . 1 1 23 23 LEU HD11 H 1 0.917 0.200 . . . . . A 23 LEU HD11 . 30097 1 220 . 1 1 23 23 LEU HD12 H 1 0.917 0.200 . . . . . A 23 LEU HD12 . 30097 1 221 . 1 1 23 23 LEU HD13 H 1 0.917 0.200 . . . . . A 23 LEU HD13 . 30097 1 222 . 1 1 23 23 LEU HD21 H 1 0.990 0.200 . . . . . A 23 LEU HD21 . 30097 1 223 . 1 1 23 23 LEU HD22 H 1 0.990 0.200 . . . . . A 23 LEU HD22 . 30097 1 224 . 1 1 23 23 LEU HD23 H 1 0.990 0.200 . . . . . A 23 LEU HD23 . 30097 1 225 . 1 1 23 23 LEU C C 13 179.560 0.200 . . . . . A 23 LEU C . 30097 1 226 . 1 1 23 23 LEU CA C 13 57.315 0.200 . . . . . A 23 LEU CA . 30097 1 227 . 1 1 23 23 LEU CB C 13 41.876 0.200 . . . . . A 23 LEU CB . 30097 1 228 . 1 1 23 23 LEU CG C 13 27.207 0.200 . . . . . A 23 LEU CG . 30097 1 229 . 1 1 23 23 LEU CD1 C 13 24.077 0.200 . . . . . A 23 LEU CD1 . 30097 1 230 . 1 1 23 23 LEU CD2 C 13 24.498 0.200 . . . . . A 23 LEU CD2 . 30097 1 231 . 1 1 23 23 LEU N N 15 118.163 0.200 . . . . . A 23 LEU N . 30097 1 232 . 1 1 24 24 LEU H H 1 7.765 0.200 . . . . . A 24 LEU H . 30097 1 233 . 1 1 24 24 LEU HA H 1 4.163 0.200 . . . . . A 24 LEU HA . 30097 1 234 . 1 1 24 24 LEU HB2 H 1 1.897 0.200 . . . . . A 24 LEU HB2 . 30097 1 235 . 1 1 24 24 LEU HB3 H 1 1.778 0.200 . . . . . A 24 LEU HB3 . 30097 1 236 . 1 1 24 24 LEU HG H 1 1.747 0.200 . . . . . A 24 LEU HG . 30097 1 237 . 1 1 24 24 LEU HD11 H 1 0.996 0.200 . . . . . A 24 LEU HD11 . 30097 1 238 . 1 1 24 24 LEU HD12 H 1 0.996 0.200 . . . . . A 24 LEU HD12 . 30097 1 239 . 1 1 24 24 LEU HD13 H 1 0.996 0.200 . . . . . A 24 LEU HD13 . 30097 1 240 . 1 1 24 24 LEU HD21 H 1 0.996 0.200 . . . . . A 24 LEU HD21 . 30097 1 241 . 1 1 24 24 LEU HD22 H 1 0.996 0.200 . . . . . A 24 LEU HD22 . 30097 1 242 . 1 1 24 24 LEU HD23 H 1 0.996 0.200 . . . . . A 24 LEU HD23 . 30097 1 243 . 1 1 24 24 LEU C C 13 178.077 0.200 . . . . . A 24 LEU C . 30097 1 244 . 1 1 24 24 LEU CA C 13 57.974 0.200 . . . . . A 24 LEU CA . 30097 1 245 . 1 1 24 24 LEU CB C 13 41.853 0.200 . . . . . A 24 LEU CB . 30097 1 246 . 1 1 24 24 LEU CG C 13 27.353 0.200 . . . . . A 24 LEU CG . 30097 1 247 . 1 1 24 24 LEU CD1 C 13 25.811 0.200 . . . . . A 24 LEU CD1 . 30097 1 248 . 1 1 24 24 LEU CD2 C 13 23.716 0.200 . . . . . A 24 LEU CD2 . 30097 1 249 . 1 1 24 24 LEU N N 15 120.439 0.200 . . . . . A 24 LEU N . 30097 1 250 . 1 1 25 25 ARG H H 1 8.329 0.200 . . . . . A 25 ARG H . 30097 1 251 . 1 1 25 25 ARG HA H 1 3.402 0.200 . . . . . A 25 ARG HA . 30097 1 252 . 1 1 25 25 ARG HB2 H 1 1.971 0.200 . . . . . A 25 ARG HB2 . 30097 1 253 . 1 1 25 25 ARG HB3 H 1 1.303 0.200 . . . . . A 25 ARG HB3 . 30097 1 254 . 1 1 25 25 ARG HG2 H 1 1.203 0.200 . . . . . A 25 ARG HG2 . 30097 1 255 . 1 1 25 25 ARG HG3 H 1 1.203 0.200 . . . . . A 25 ARG HG3 . 30097 1 256 . 1 1 25 25 ARG HD2 H 1 2.967 0.200 . . . . . A 25 ARG HD2 . 30097 1 257 . 1 1 25 25 ARG HD3 H 1 2.867 0.200 . . . . . A 25 ARG HD3 . 30097 1 258 . 1 1 25 25 ARG HE H 1 7.485 0.200 . . . . . A 25 ARG HE . 30097 1 259 . 1 1 25 25 ARG C C 13 177.233 0.200 . . . . . A 25 ARG C . 30097 1 260 . 1 1 25 25 ARG CA C 13 59.728 0.200 . . . . . A 25 ARG CA . 30097 1 261 . 1 1 25 25 ARG CB C 13 29.145 0.200 . . . . . A 25 ARG CB . 30097 1 262 . 1 1 25 25 ARG CG C 13 26.344 0.200 . . . . . A 25 ARG CG . 30097 1 263 . 1 1 25 25 ARG CD C 13 43.560 0.200 . . . . . A 25 ARG CD . 30097 1 264 . 1 1 25 25 ARG N N 15 118.520 0.200 . . . . . A 25 ARG N . 30097 1 265 . 1 1 25 25 ARG NE N 15 83.561 0.200 . . . . . A 25 ARG NE . 30097 1 266 . 1 1 26 26 ASP H H 1 7.785 0.200 . . . . . A 26 ASP H . 30097 1 267 . 1 1 26 26 ASP HA H 1 4.260 0.200 . . . . . A 26 ASP HA . 30097 1 268 . 1 1 26 26 ASP HB2 H 1 2.786 0.200 . . . . . A 26 ASP HB2 . 30097 1 269 . 1 1 26 26 ASP HB3 H 1 2.608 0.200 . . . . . A 26 ASP HB3 . 30097 1 270 . 1 1 26 26 ASP C C 13 179.293 0.200 . . . . . A 26 ASP C . 30097 1 271 . 1 1 26 26 ASP CA C 13 57.448 0.200 . . . . . A 26 ASP CA . 30097 1 272 . 1 1 26 26 ASP CB C 13 39.958 0.200 . . . . . A 26 ASP CB . 30097 1 273 . 1 1 26 26 ASP N N 15 117.537 0.200 . . . . . A 26 ASP N . 30097 1 274 . 1 1 27 27 MET H H 1 8.087 0.200 . . . . . A 27 MET H . 30097 1 275 . 1 1 27 27 MET HA H 1 4.096 0.200 . . . . . A 27 MET HA . 30097 1 276 . 1 1 27 27 MET HB2 H 1 2.256 0.200 . . . . . A 27 MET HB2 . 30097 1 277 . 1 1 27 27 MET HB3 H 1 2.256 0.200 . . . . . A 27 MET HB3 . 30097 1 278 . 1 1 27 27 MET HG2 H 1 2.792 0.200 . . . . . A 27 MET HG2 . 30097 1 279 . 1 1 27 27 MET HG3 H 1 2.585 0.200 . . . . . A 27 MET HG3 . 30097 1 280 . 1 1 27 27 MET HE1 H 1 2.060 0.200 . . . . . A 27 MET HE1 . 30097 1 281 . 1 1 27 27 MET HE2 H 1 2.060 0.200 . . . . . A 27 MET HE2 . 30097 1 282 . 1 1 27 27 MET HE3 H 1 2.060 0.200 . . . . . A 27 MET HE3 . 30097 1 283 . 1 1 27 27 MET C C 13 179.184 0.200 . . . . . A 27 MET C . 30097 1 284 . 1 1 27 27 MET CA C 13 59.185 0.200 . . . . . A 27 MET CA . 30097 1 285 . 1 1 27 27 MET CB C 13 32.545 0.200 . . . . . A 27 MET CB . 30097 1 286 . 1 1 27 27 MET CG C 13 32.323 0.200 . . . . . A 27 MET CG . 30097 1 287 . 1 1 27 27 MET CE C 13 17.101 0.200 . . . . . A 27 MET CE . 30097 1 288 . 1 1 27 27 MET N N 15 119.889 0.200 . . . . . A 27 MET N . 30097 1 289 . 1 1 28 28 LEU H H 1 8.237 0.200 . . . . . A 28 LEU H . 30097 1 290 . 1 1 28 28 LEU HA H 1 4.017 0.200 . . . . . A 28 LEU HA . 30097 1 291 . 1 1 28 28 LEU HB2 H 1 1.927 0.200 . . . . . A 28 LEU HB2 . 30097 1 292 . 1 1 28 28 LEU HB3 H 1 1.158 0.200 . . . . . A 28 LEU HB3 . 30097 1 293 . 1 1 28 28 LEU HG H 1 1.889 0.200 . . . . . A 28 LEU HG . 30097 1 294 . 1 1 28 28 LEU HD11 H 1 0.860 0.200 . . . . . A 28 LEU HD11 . 30097 1 295 . 1 1 28 28 LEU HD12 H 1 0.860 0.200 . . . . . A 28 LEU HD12 . 30097 1 296 . 1 1 28 28 LEU HD13 H 1 0.860 0.200 . . . . . A 28 LEU HD13 . 30097 1 297 . 1 1 28 28 LEU HD21 H 1 0.909 0.200 . . . . . A 28 LEU HD21 . 30097 1 298 . 1 1 28 28 LEU HD22 H 1 0.909 0.200 . . . . . A 28 LEU HD22 . 30097 1 299 . 1 1 28 28 LEU HD23 H 1 0.909 0.200 . . . . . A 28 LEU HD23 . 30097 1 300 . 1 1 28 28 LEU C C 13 178.614 0.200 . . . . . A 28 LEU C . 30097 1 301 . 1 1 28 28 LEU CA C 13 58.081 0.200 . . . . . A 28 LEU CA . 30097 1 302 . 1 1 28 28 LEU CB C 13 42.933 0.200 . . . . . A 28 LEU CB . 30097 1 303 . 1 1 28 28 LEU CG C 13 27.456 0.200 . . . . . A 28 LEU CG . 30097 1 304 . 1 1 28 28 LEU CD1 C 13 22.870 0.200 . . . . . A 28 LEU CD1 . 30097 1 305 . 1 1 28 28 LEU CD2 C 13 26.339 0.200 . . . . . A 28 LEU CD2 . 30097 1 306 . 1 1 28 28 LEU N N 15 120.842 0.200 . . . . . A 28 LEU N . 30097 1 307 . 1 1 29 29 LEU H H 1 8.002 0.200 . . . . . A 29 LEU H . 30097 1 308 . 1 1 29 29 LEU HA H 1 4.019 0.200 . . . . . A 29 LEU HA . 30097 1 309 . 1 1 29 29 LEU HB2 H 1 1.782 0.200 . . . . . A 29 LEU HB2 . 30097 1 310 . 1 1 29 29 LEU HB3 H 1 1.421 0.200 . . . . . A 29 LEU HB3 . 30097 1 311 . 1 1 29 29 LEU HG H 1 1.745 0.200 . . . . . A 29 LEU HG . 30097 1 312 . 1 1 29 29 LEU HD11 H 1 0.783 0.200 . . . . . A 29 LEU HD11 . 30097 1 313 . 1 1 29 29 LEU HD12 H 1 0.783 0.200 . . . . . A 29 LEU HD12 . 30097 1 314 . 1 1 29 29 LEU HD13 H 1 0.783 0.200 . . . . . A 29 LEU HD13 . 30097 1 315 . 1 1 29 29 LEU HD21 H 1 0.746 0.200 . . . . . A 29 LEU HD21 . 30097 1 316 . 1 1 29 29 LEU HD22 H 1 0.746 0.200 . . . . . A 29 LEU HD22 . 30097 1 317 . 1 1 29 29 LEU HD23 H 1 0.746 0.200 . . . . . A 29 LEU HD23 . 30097 1 318 . 1 1 29 29 LEU C C 13 178.617 0.200 . . . . . A 29 LEU C . 30097 1 319 . 1 1 29 29 LEU CA C 13 56.892 0.200 . . . . . A 29 LEU CA . 30097 1 320 . 1 1 29 29 LEU CB C 13 41.631 0.200 . . . . . A 29 LEU CB . 30097 1 321 . 1 1 29 29 LEU CG C 13 26.896 0.200 . . . . . A 29 LEU CG . 30097 1 322 . 1 1 29 29 LEU CD1 C 13 25.527 0.200 . . . . . A 29 LEU CD1 . 30097 1 323 . 1 1 29 29 LEU CD2 C 13 22.381 0.200 . . . . . A 29 LEU CD2 . 30097 1 324 . 1 1 29 29 LEU N N 15 115.128 0.200 . . . . . A 29 LEU N . 30097 1 325 . 1 1 30 30 ALA H H 1 7.292 0.200 . . . . . A 30 ALA H . 30097 1 326 . 1 1 30 30 ALA HA H 1 4.404 0.200 . . . . . A 30 ALA HA . 30097 1 327 . 1 1 30 30 ALA HB1 H 1 1.499 0.200 . . . . . A 30 ALA HB1 . 30097 1 328 . 1 1 30 30 ALA HB2 H 1 1.499 0.200 . . . . . A 30 ALA HB2 . 30097 1 329 . 1 1 30 30 ALA HB3 H 1 1.499 0.200 . . . . . A 30 ALA HB3 . 30097 1 330 . 1 1 30 30 ALA C C 13 176.561 0.200 . . . . . A 30 ALA C . 30097 1 331 . 1 1 30 30 ALA CA C 13 52.314 0.200 . . . . . A 30 ALA CA . 30097 1 332 . 1 1 30 30 ALA CB C 13 19.477 0.200 . . . . . A 30 ALA CB . 30097 1 333 . 1 1 30 30 ALA N N 15 118.414 0.200 . . . . . A 30 ALA N . 30097 1 334 . 1 1 31 31 ASN H H 1 7.441 0.200 . . . . . A 31 ASN H . 30097 1 335 . 1 1 31 31 ASN HA H 1 5.281 0.200 . . . . . A 31 ASN HA . 30097 1 336 . 1 1 31 31 ASN HB2 H 1 3.081 0.200 . . . . . A 31 ASN HB2 . 30097 1 337 . 1 1 31 31 ASN HB3 H 1 2.723 0.200 . . . . . A 31 ASN HB3 . 30097 1 338 . 1 1 31 31 ASN HD21 H 1 7.999 0.200 . . . . . A 31 ASN HD21 . 30097 1 339 . 1 1 31 31 ASN HD22 H 1 7.222 0.200 . . . . . A 31 ASN HD22 . 30097 1 340 . 1 1 31 31 ASN C C 13 179.870 0.200 . . . . . A 31 ASN C . 30097 1 341 . 1 1 31 31 ASN CA C 13 50.317 0.200 . . . . . A 31 ASN CA . 30097 1 342 . 1 1 31 31 ASN CB C 13 39.872 0.200 . . . . . A 31 ASN CB . 30097 1 343 . 1 1 31 31 ASN N N 15 117.230 0.200 . . . . . A 31 ASN N . 30097 1 344 . 1 1 31 31 ASN ND2 N 15 115.085 0.200 . . . . . A 31 ASN ND2 . 30097 1 345 . 1 1 32 32 PRO HA H 1 4.300 0.200 . . . . . A 32 PRO HA . 30097 1 346 . 1 1 32 32 PRO HB2 H 1 2.425 0.200 . . . . . A 32 PRO HB2 . 30097 1 347 . 1 1 32 32 PRO HB3 H 1 2.002 0.200 . . . . . A 32 PRO HB3 . 30097 1 348 . 1 1 32 32 PRO HG2 H 1 2.093 0.200 . . . . . A 32 PRO HG2 . 30097 1 349 . 1 1 32 32 PRO HG3 H 1 2.039 0.200 . . . . . A 32 PRO HG3 . 30097 1 350 . 1 1 32 32 PRO HD2 H 1 3.946 0.200 . . . . . A 32 PRO HD2 . 30097 1 351 . 1 1 32 32 PRO HD3 H 1 3.735 0.200 . . . . . A 32 PRO HD3 . 30097 1 352 . 1 1 32 32 PRO C C 13 179.108 0.200 . . . . . A 32 PRO C . 30097 1 353 . 1 1 32 32 PRO CA C 13 65.232 0.200 . . . . . A 32 PRO CA . 30097 1 354 . 1 1 32 32 PRO CB C 13 32.167 0.200 . . . . . A 32 PRO CB . 30097 1 355 . 1 1 32 32 PRO CG C 13 27.316 0.200 . . . . . A 32 PRO CG . 30097 1 356 . 1 1 32 32 PRO CD C 13 50.730 0.200 . . . . . A 32 PRO CD . 30097 1 357 . 1 1 33 33 HIS H H 1 8.475 0.200 . . . . . A 33 HIS H . 30097 1 358 . 1 1 33 33 HIS HA H 1 4.476 0.200 . . . . . A 33 HIS HA . 30097 1 359 . 1 1 33 33 HIS HB2 H 1 3.284 0.200 . . . . . A 33 HIS HB2 . 30097 1 360 . 1 1 33 33 HIS HB3 H 1 3.284 0.200 . . . . . A 33 HIS HB3 . 30097 1 361 . 1 1 33 33 HIS HD2 H 1 7.162 0.200 . . . . . A 33 HIS HD2 . 30097 1 362 . 1 1 33 33 HIS C C 13 177.803 0.200 . . . . . A 33 HIS C . 30097 1 363 . 1 1 33 33 HIS CA C 13 59.395 0.200 . . . . . A 33 HIS CA . 30097 1 364 . 1 1 33 33 HIS CB C 13 29.446 0.200 . . . . . A 33 HIS CB . 30097 1 365 . 1 1 33 33 HIS N N 15 117.777 0.200 . . . . . A 33 HIS N . 30097 1 366 . 1 1 34 34 GLU H H 1 7.712 0.200 . . . . . A 34 GLU H . 30097 1 367 . 1 1 34 34 GLU HA H 1 4.023 0.200 . . . . . A 34 GLU HA . 30097 1 368 . 1 1 34 34 GLU HB2 H 1 2.101 0.200 . . . . . A 34 GLU HB2 . 30097 1 369 . 1 1 34 34 GLU HB3 H 1 2.000 0.200 . . . . . A 34 GLU HB3 . 30097 1 370 . 1 1 34 34 GLU HG2 H 1 2.343 0.200 . . . . . A 34 GLU HG2 . 30097 1 371 . 1 1 34 34 GLU HG3 H 1 2.247 0.200 . . . . . A 34 GLU HG3 . 30097 1 372 . 1 1 34 34 GLU C C 13 179.731 0.200 . . . . . A 34 GLU C . 30097 1 373 . 1 1 34 34 GLU CA C 13 58.532 0.200 . . . . . A 34 GLU CA . 30097 1 374 . 1 1 34 34 GLU CB C 13 29.106 0.200 . . . . . A 34 GLU CB . 30097 1 375 . 1 1 34 34 GLU CG C 13 35.889 0.200 . . . . . A 34 GLU CG . 30097 1 376 . 1 1 34 34 GLU N N 15 119.294 0.200 . . . . . A 34 GLU N . 30097 1 377 . 1 1 35 35 LEU H H 1 8.307 0.200 . . . . . A 35 LEU H . 30097 1 378 . 1 1 35 35 LEU HA H 1 4.030 0.200 . . . . . A 35 LEU HA . 30097 1 379 . 1 1 35 35 LEU HB2 H 1 1.847 0.200 . . . . . A 35 LEU HB2 . 30097 1 380 . 1 1 35 35 LEU HB3 H 1 1.816 0.200 . . . . . A 35 LEU HB3 . 30097 1 381 . 1 1 35 35 LEU HG H 1 1.620 0.200 . . . . . A 35 LEU HG . 30097 1 382 . 1 1 35 35 LEU HD11 H 1 0.916 0.200 . . . . . A 35 LEU HD11 . 30097 1 383 . 1 1 35 35 LEU HD12 H 1 0.916 0.200 . . . . . A 35 LEU HD12 . 30097 1 384 . 1 1 35 35 LEU HD13 H 1 0.916 0.200 . . . . . A 35 LEU HD13 . 30097 1 385 . 1 1 35 35 LEU HD21 H 1 0.912 0.200 . . . . . A 35 LEU HD21 . 30097 1 386 . 1 1 35 35 LEU HD22 H 1 0.912 0.200 . . . . . A 35 LEU HD22 . 30097 1 387 . 1 1 35 35 LEU HD23 H 1 0.912 0.200 . . . . . A 35 LEU HD23 . 30097 1 388 . 1 1 35 35 LEU C C 13 178.402 0.200 . . . . . A 35 LEU C . 30097 1 389 . 1 1 35 35 LEU CA C 13 58.447 0.200 . . . . . A 35 LEU CA . 30097 1 390 . 1 1 35 35 LEU CB C 13 40.900 0.200 . . . . . A 35 LEU CB . 30097 1 391 . 1 1 35 35 LEU CG C 13 27.293 0.200 . . . . . A 35 LEU CG . 30097 1 392 . 1 1 35 35 LEU CD1 C 13 25.572 0.200 . . . . . A 35 LEU CD1 . 30097 1 393 . 1 1 35 35 LEU CD2 C 13 24.064 0.200 . . . . . A 35 LEU CD2 . 30097 1 394 . 1 1 35 35 LEU N N 15 121.941 0.200 . . . . . A 35 LEU N . 30097 1 395 . 1 1 36 36 SER H H 1 8.138 0.200 . . . . . A 36 SER H . 30097 1 396 . 1 1 36 36 SER HA H 1 3.996 0.200 . . . . . A 36 SER HA . 30097 1 397 . 1 1 36 36 SER HB2 H 1 4.057 0.200 . . . . . A 36 SER HB2 . 30097 1 398 . 1 1 36 36 SER HB3 H 1 4.057 0.200 . . . . . A 36 SER HB3 . 30097 1 399 . 1 1 36 36 SER C C 13 177.330 0.200 . . . . . A 36 SER C . 30097 1 400 . 1 1 36 36 SER CA C 13 62.555 0.200 . . . . . A 36 SER CA . 30097 1 401 . 1 1 36 36 SER CB C 13 62.227 0.200 . . . . . A 36 SER CB . 30097 1 402 . 1 1 36 36 SER N N 15 114.563 0.200 . . . . . A 36 SER N . 30097 1 403 . 1 1 37 37 LEU H H 1 7.504 0.200 . . . . . A 37 LEU H . 30097 1 404 . 1 1 37 37 LEU HA H 1 4.112 0.200 . . . . . A 37 LEU HA . 30097 1 405 . 1 1 37 37 LEU HB2 H 1 1.775 0.200 . . . . . A 37 LEU HB2 . 30097 1 406 . 1 1 37 37 LEU HB3 H 1 1.408 0.200 . . . . . A 37 LEU HB3 . 30097 1 407 . 1 1 37 37 LEU HG H 1 1.501 0.200 . . . . . A 37 LEU HG . 30097 1 408 . 1 1 37 37 LEU HD11 H 1 0.763 0.200 . . . . . A 37 LEU HD11 . 30097 1 409 . 1 1 37 37 LEU HD12 H 1 0.763 0.200 . . . . . A 37 LEU HD12 . 30097 1 410 . 1 1 37 37 LEU HD13 H 1 0.763 0.200 . . . . . A 37 LEU HD13 . 30097 1 411 . 1 1 37 37 LEU HD21 H 1 0.790 0.200 . . . . . A 37 LEU HD21 . 30097 1 412 . 1 1 37 37 LEU HD22 H 1 0.790 0.200 . . . . . A 37 LEU HD22 . 30097 1 413 . 1 1 37 37 LEU HD23 H 1 0.790 0.200 . . . . . A 37 LEU HD23 . 30097 1 414 . 1 1 37 37 LEU C C 13 179.278 0.200 . . . . . A 37 LEU C . 30097 1 415 . 1 1 37 37 LEU CA C 13 57.596 0.200 . . . . . A 37 LEU CA . 30097 1 416 . 1 1 37 37 LEU CB C 13 41.885 0.200 . . . . . A 37 LEU CB . 30097 1 417 . 1 1 37 37 LEU CG C 13 26.528 0.200 . . . . . A 37 LEU CG . 30097 1 418 . 1 1 37 37 LEU CD1 C 13 25.051 0.200 . . . . . A 37 LEU CD1 . 30097 1 419 . 1 1 37 37 LEU CD2 C 13 23.073 0.200 . . . . . A 37 LEU CD2 . 30097 1 420 . 1 1 37 37 LEU N N 15 121.680 0.200 . . . . . A 37 LEU N . 30097 1 421 . 1 1 38 38 LEU H H 1 8.093 0.200 . . . . . A 38 LEU H . 30097 1 422 . 1 1 38 38 LEU HA H 1 3.999 0.200 . . . . . A 38 LEU HA . 30097 1 423 . 1 1 38 38 LEU HB2 H 1 2.004 0.200 . . . . . A 38 LEU HB2 . 30097 1 424 . 1 1 38 38 LEU HB3 H 1 1.697 0.200 . . . . . A 38 LEU HB3 . 30097 1 425 . 1 1 38 38 LEU HG H 1 0.908 0.200 . . . . . A 38 LEU HG . 30097 1 426 . 1 1 38 38 LEU HD11 H 1 1.077 0.200 . . . . . A 38 LEU HD11 . 30097 1 427 . 1 1 38 38 LEU HD12 H 1 1.077 0.200 . . . . . A 38 LEU HD12 . 30097 1 428 . 1 1 38 38 LEU HD13 H 1 1.077 0.200 . . . . . A 38 LEU HD13 . 30097 1 429 . 1 1 38 38 LEU HD21 H 1 0.858 0.200 . . . . . A 38 LEU HD21 . 30097 1 430 . 1 1 38 38 LEU HD22 H 1 0.858 0.200 . . . . . A 38 LEU HD22 . 30097 1 431 . 1 1 38 38 LEU HD23 H 1 0.858 0.200 . . . . . A 38 LEU HD23 . 30097 1 432 . 1 1 38 38 LEU C C 13 178.351 0.200 . . . . . A 38 LEU C . 30097 1 433 . 1 1 38 38 LEU CA C 13 58.084 0.200 . . . . . A 38 LEU CA . 30097 1 434 . 1 1 38 38 LEU CB C 13 42.190 0.200 . . . . . A 38 LEU CB . 30097 1 435 . 1 1 38 38 LEU CG C 13 26.418 0.200 . . . . . A 38 LEU CG . 30097 1 436 . 1 1 38 38 LEU CD1 C 13 24.900 0.200 . . . . . A 38 LEU CD1 . 30097 1 437 . 1 1 38 38 LEU CD2 C 13 23.163 0.200 . . . . . A 38 LEU CD2 . 30097 1 438 . 1 1 38 38 LEU N N 15 121.806 0.200 . . . . . A 38 LEU N . 30097 1 439 . 1 1 39 39 LYS H H 1 8.105 0.200 . . . . . A 39 LYS H . 30097 1 440 . 1 1 39 39 LYS HA H 1 3.574 0.200 . . . . . A 39 LYS HA . 30097 1 441 . 1 1 39 39 LYS HB2 H 1 1.869 0.200 . . . . . A 39 LYS HB2 . 30097 1 442 . 1 1 39 39 LYS HB3 H 1 1.869 0.200 . . . . . A 39 LYS HB3 . 30097 1 443 . 1 1 39 39 LYS HG2 H 1 1.625 0.200 . . . . . A 39 LYS HG2 . 30097 1 444 . 1 1 39 39 LYS HG3 H 1 1.324 0.200 . . . . . A 39 LYS HG3 . 30097 1 445 . 1 1 39 39 LYS HD2 H 1 1.644 0.200 . . . . . A 39 LYS HD2 . 30097 1 446 . 1 1 39 39 LYS HD3 H 1 1.644 0.200 . . . . . A 39 LYS HD3 . 30097 1 447 . 1 1 39 39 LYS HE2 H 1 2.903 0.200 . . . . . A 39 LYS HE2 . 30097 1 448 . 1 1 39 39 LYS HE3 H 1 2.808 0.200 . . . . . A 39 LYS HE3 . 30097 1 449 . 1 1 39 39 LYS C C 13 177.618 0.200 . . . . . A 39 LYS C . 30097 1 450 . 1 1 39 39 LYS CA C 13 59.967 0.200 . . . . . A 39 LYS CA . 30097 1 451 . 1 1 39 39 LYS CB C 13 32.742 0.200 . . . . . A 39 LYS CB . 30097 1 452 . 1 1 39 39 LYS CG C 13 25.910 0.200 . . . . . A 39 LYS CG . 30097 1 453 . 1 1 39 39 LYS CD C 13 30.014 0.200 . . . . . A 39 LYS CD . 30097 1 454 . 1 1 39 39 LYS CE C 13 41.901 0.200 . . . . . A 39 LYS CE . 30097 1 455 . 1 1 39 39 LYS N N 15 116.005 0.200 . . . . . A 39 LYS N . 30097 1 456 . 1 1 40 40 GLU H H 1 7.156 0.200 . . . . . A 40 GLU H . 30097 1 457 . 1 1 40 40 GLU HA H 1 4.200 0.200 . . . . . A 40 GLU HA . 30097 1 458 . 1 1 40 40 GLU HB2 H 1 2.123 0.200 . . . . . A 40 GLU HB2 . 30097 1 459 . 1 1 40 40 GLU HB3 H 1 2.123 0.200 . . . . . A 40 GLU HB3 . 30097 1 460 . 1 1 40 40 GLU HG2 H 1 2.385 0.200 . . . . . A 40 GLU HG2 . 30097 1 461 . 1 1 40 40 GLU HG3 H 1 2.210 0.200 . . . . . A 40 GLU HG3 . 30097 1 462 . 1 1 40 40 GLU C C 13 178.114 0.200 . . . . . A 40 GLU C . 30097 1 463 . 1 1 40 40 GLU CA C 13 58.031 0.200 . . . . . A 40 GLU CA . 30097 1 464 . 1 1 40 40 GLU CB C 13 30.719 0.200 . . . . . A 40 GLU CB . 30097 1 465 . 1 1 40 40 GLU CG C 13 36.143 0.200 . . . . . A 40 GLU CG . 30097 1 466 . 1 1 40 40 GLU N N 15 114.382 0.200 . . . . . A 40 GLU N . 30097 1 467 . 1 1 41 41 ARG H H 1 8.333 0.020 . . . . . A 41 ARG H . 30097 1 468 . 1 1 41 41 ARG HA H 1 4.306 0.020 . . . . . A 41 ARG HA . 30097 1 469 . 1 1 41 41 ARG HB2 H 1 1.909 0.020 . . . . . A 41 ARG HB2 . 30097 1 470 . 1 1 41 41 ARG HB3 H 1 1.809 0.020 . . . . . A 41 ARG HB3 . 30097 1 471 . 1 1 41 41 ARG HG2 H 1 1.799 0.020 . . . . . A 41 ARG HG2 . 30097 1 472 . 1 1 41 41 ARG HG3 H 1 1.732 0.020 . . . . . A 41 ARG HG3 . 30097 1 473 . 1 1 41 41 ARG HD2 H 1 3.174 0.020 . . . . . A 41 ARG HD2 . 30097 1 474 . 1 1 41 41 ARG HD3 H 1 3.125 0.020 . . . . . A 41 ARG HD3 . 30097 1 475 . 1 1 41 41 ARG HE H 1 7.572 0.020 . . . . . A 41 ARG HE . 30097 1 476 . 1 1 41 41 ARG C C 13 177.228 0.200 . . . . . A 41 ARG C . 30097 1 477 . 1 1 41 41 ARG CA C 13 57.627 0.200 . . . . . A 41 ARG CA . 30097 1 478 . 1 1 41 41 ARG CB C 13 31.669 0.020 . . . . . A 41 ARG CB . 30097 1 479 . 1 1 41 41 ARG CG C 13 27.518 0.020 . . . . . A 41 ARG CG . 30097 1 480 . 1 1 41 41 ARG CD C 13 43.513 0.020 . . . . . A 41 ARG CD . 30097 1 481 . 1 1 41 41 ARG N N 15 116.088 0.020 . . . . . A 41 ARG N . 30097 1 482 . 1 1 41 41 ARG NE N 15 84.092 0.020 . . . . . A 41 ARG NE . 30097 1 483 . 1 1 42 42 ASN H H 1 9.094 0.020 . . . . . A 42 ASN H . 30097 1 484 . 1 1 42 42 ASN HA H 1 4.841 0.020 . . . . . A 42 ASN HA . 30097 1 485 . 1 1 42 42 ASN HB2 H 1 3.227 0.020 . . . . . A 42 ASN HB2 . 30097 1 486 . 1 1 42 42 ASN HB3 H 1 2.495 0.020 . . . . . A 42 ASN HB3 . 30097 1 487 . 1 1 42 42 ASN HD21 H 1 8.224 0.020 . . . . . A 42 ASN HD21 . 30097 1 488 . 1 1 42 42 ASN HD22 H 1 7.637 0.020 . . . . . A 42 ASN HD22 . 30097 1 489 . 1 1 42 42 ASN C C 13 178.482 0.020 . . . . . A 42 ASN C . 30097 1 490 . 1 1 42 42 ASN CA C 13 50.113 0.020 . . . . . A 42 ASN CA . 30097 1 491 . 1 1 42 42 ASN CB C 13 38.430 0.020 . . . . . A 42 ASN CB . 30097 1 492 . 1 1 42 42 ASN N N 15 117.522 0.020 . . . . . A 42 ASN N . 30097 1 493 . 1 1 42 42 ASN ND2 N 15 113.148 0.020 . . . . . A 42 ASN ND2 . 30097 1 494 . 1 1 43 43 PRO HA H 1 4.470 0.020 . . . . . A 43 PRO HA . 30097 1 495 . 1 1 43 43 PRO HB2 H 1 2.491 0.020 . . . . . A 43 PRO HB2 . 30097 1 496 . 1 1 43 43 PRO HB3 H 1 2.124 0.020 . . . . . A 43 PRO HB3 . 30097 1 497 . 1 1 43 43 PRO HG2 H 1 2.203 0.020 . . . . . A 43 PRO HG2 . 30097 1 498 . 1 1 43 43 PRO HG3 H 1 2.203 0.020 . . . . . A 43 PRO HG3 . 30097 1 499 . 1 1 43 43 PRO HD2 H 1 3.627 0.020 . . . . . A 43 PRO HD2 . 30097 1 500 . 1 1 43 43 PRO HD3 H 1 3.568 0.020 . . . . . A 43 PRO HD3 . 30097 1 501 . 1 1 43 43 PRO CA C 13 66.614 0.020 . . . . . A 43 PRO CA . 30097 1 502 . 1 1 43 43 PRO CB C 13 29.057 0.020 . . . . . A 43 PRO CB . 30097 1 503 . 1 1 43 43 PRO CG C 13 27.477 0.020 . . . . . A 43 PRO CG . 30097 1 504 . 1 1 43 43 PRO CD C 13 49.190 0.020 . . . . . A 43 PRO CD . 30097 1 505 . 1 1 44 44 PRO HA H 1 4.472 0.020 . . . . . A 44 PRO HA . 30097 1 506 . 1 1 44 44 PRO HB2 H 1 2.416 0.020 . . . . . A 44 PRO HB2 . 30097 1 507 . 1 1 44 44 PRO HB3 H 1 1.625 0.020 . . . . . A 44 PRO HB3 . 30097 1 508 . 1 1 44 44 PRO HG2 H 1 2.061 0.020 . . . . . A 44 PRO HG2 . 30097 1 509 . 1 1 44 44 PRO HG3 H 1 2.061 0.020 . . . . . A 44 PRO HG3 . 30097 1 510 . 1 1 44 44 PRO HD2 H 1 3.887 0.020 . . . . . A 44 PRO HD2 . 30097 1 511 . 1 1 44 44 PRO HD3 H 1 3.715 0.020 . . . . . A 44 PRO HD3 . 30097 1 512 . 1 1 44 44 PRO C C 13 180.411 0.020 . . . . . A 44 PRO C . 30097 1 513 . 1 1 44 44 PRO CA C 13 66.072 0.020 . . . . . A 44 PRO CA . 30097 1 514 . 1 1 44 44 PRO CB C 13 31.397 0.020 . . . . . A 44 PRO CB . 30097 1 515 . 1 1 44 44 PRO CG C 13 28.364 0.020 . . . . . A 44 PRO CG . 30097 1 516 . 1 1 44 44 PRO CD C 13 50.103 0.020 . . . . . A 44 PRO CD . 30097 1 517 . 1 1 45 45 LEU H H 1 7.287 0.020 . . . . . A 45 LEU H . 30097 1 518 . 1 1 45 45 LEU HA H 1 4.220 0.020 . . . . . A 45 LEU HA . 30097 1 519 . 1 1 45 45 LEU HB2 H 1 1.714 0.020 . . . . . A 45 LEU HB2 . 30097 1 520 . 1 1 45 45 LEU HB3 H 1 1.399 0.020 . . . . . A 45 LEU HB3 . 30097 1 521 . 1 1 45 45 LEU HG H 1 1.724 0.020 . . . . . A 45 LEU HG . 30097 1 522 . 1 1 45 45 LEU HD11 H 1 0.913 0.020 . . . . . A 45 LEU HD11 . 30097 1 523 . 1 1 45 45 LEU HD12 H 1 0.913 0.020 . . . . . A 45 LEU HD12 . 30097 1 524 . 1 1 45 45 LEU HD13 H 1 0.913 0.020 . . . . . A 45 LEU HD13 . 30097 1 525 . 1 1 45 45 LEU HD21 H 1 0.664 0.020 . . . . . A 45 LEU HD21 . 30097 1 526 . 1 1 45 45 LEU HD22 H 1 0.664 0.020 . . . . . A 45 LEU HD22 . 30097 1 527 . 1 1 45 45 LEU HD23 H 1 0.664 0.020 . . . . . A 45 LEU HD23 . 30097 1 528 . 1 1 45 45 LEU C C 13 178.437 0.020 . . . . . A 45 LEU C . 30097 1 529 . 1 1 45 45 LEU CA C 13 57.149 0.020 . . . . . A 45 LEU CA . 30097 1 530 . 1 1 45 45 LEU CB C 13 42.636 0.020 . . . . . A 45 LEU CB . 30097 1 531 . 1 1 45 45 LEU CG C 13 27.265 0.020 . . . . . A 45 LEU CG . 30097 1 532 . 1 1 45 45 LEU CD1 C 13 25.931 0.020 . . . . . A 45 LEU CD1 . 30097 1 533 . 1 1 45 45 LEU CD2 C 13 24.711 0.020 . . . . . A 45 LEU CD2 . 30097 1 534 . 1 1 45 45 LEU N N 15 119.528 0.020 . . . . . A 45 LEU N . 30097 1 535 . 1 1 46 46 ALA H H 1 8.183 0.020 . . . . . A 46 ALA H . 30097 1 536 . 1 1 46 46 ALA HA H 1 3.930 0.020 . . . . . A 46 ALA HA . 30097 1 537 . 1 1 46 46 ALA HB1 H 1 1.376 0.020 . . . . . A 46 ALA HB1 . 30097 1 538 . 1 1 46 46 ALA HB2 H 1 1.376 0.020 . . . . . A 46 ALA HB2 . 30097 1 539 . 1 1 46 46 ALA HB3 H 1 1.376 0.020 . . . . . A 46 ALA HB3 . 30097 1 540 . 1 1 46 46 ALA C C 13 178.861 0.020 . . . . . A 46 ALA C . 30097 1 541 . 1 1 46 46 ALA CA C 13 55.541 0.020 . . . . . A 46 ALA CA . 30097 1 542 . 1 1 46 46 ALA CB C 13 18.100 0.020 . . . . . A 46 ALA CB . 30097 1 543 . 1 1 46 46 ALA N N 15 121.268 0.020 . . . . . A 46 ALA N . 30097 1 544 . 1 1 47 47 GLU H H 1 8.678 0.020 . . . . . A 47 GLU H . 30097 1 545 . 1 1 47 47 GLU HA H 1 3.956 0.020 . . . . . A 47 GLU HA . 30097 1 546 . 1 1 47 47 GLU HB2 H 1 2.084 0.020 . . . . . A 47 GLU HB2 . 30097 1 547 . 1 1 47 47 GLU HB3 H 1 2.084 0.020 . . . . . A 47 GLU HB3 . 30097 1 548 . 1 1 47 47 GLU HG2 H 1 2.387 0.020 . . . . . A 47 GLU HG2 . 30097 1 549 . 1 1 47 47 GLU HG3 H 1 2.214 0.020 . . . . . A 47 GLU HG3 . 30097 1 550 . 1 1 47 47 GLU C C 13 179.547 0.020 . . . . . A 47 GLU C . 30097 1 551 . 1 1 47 47 GLU CA C 13 59.444 0.020 . . . . . A 47 GLU CA . 30097 1 552 . 1 1 47 47 GLU CB C 13 29.399 0.020 . . . . . A 47 GLU CB . 30097 1 553 . 1 1 47 47 GLU CG C 13 36.239 0.020 . . . . . A 47 GLU CG . 30097 1 554 . 1 1 47 47 GLU N N 15 117.198 0.020 . . . . . A 47 GLU N . 30097 1 555 . 1 1 48 48 ALA H H 1 7.683 0.020 . . . . . A 48 ALA H . 30097 1 556 . 1 1 48 48 ALA HA H 1 4.122 0.020 . . . . . A 48 ALA HA . 30097 1 557 . 1 1 48 48 ALA HB1 H 1 1.623 0.020 . . . . . A 48 ALA HB1 . 30097 1 558 . 1 1 48 48 ALA HB2 H 1 1.623 0.020 . . . . . A 48 ALA HB2 . 30097 1 559 . 1 1 48 48 ALA HB3 H 1 1.623 0.020 . . . . . A 48 ALA HB3 . 30097 1 560 . 1 1 48 48 ALA C C 13 180.913 0.020 . . . . . A 48 ALA C . 30097 1 561 . 1 1 48 48 ALA CA C 13 55.273 0.020 . . . . . A 48 ALA CA . 30097 1 562 . 1 1 48 48 ALA CB C 13 18.521 0.020 . . . . . A 48 ALA CB . 30097 1 563 . 1 1 48 48 ALA N N 15 121.023 0.020 . . . . . A 48 ALA N . 30097 1 564 . 1 1 49 49 LEU H H 1 8.747 0.020 . . . . . A 49 LEU H . 30097 1 565 . 1 1 49 49 LEU HA H 1 3.699 0.020 . . . . . A 49 LEU HA . 30097 1 566 . 1 1 49 49 LEU HB2 H 1 2.092 0.020 . . . . . A 49 LEU HB2 . 30097 1 567 . 1 1 49 49 LEU HB3 H 1 1.671 0.020 . . . . . A 49 LEU HB3 . 30097 1 568 . 1 1 49 49 LEU HG H 1 1.224 0.020 . . . . . A 49 LEU HG . 30097 1 569 . 1 1 49 49 LEU HD11 H 1 0.452 0.020 . . . . . A 49 LEU HD11 . 30097 1 570 . 1 1 49 49 LEU HD12 H 1 0.452 0.020 . . . . . A 49 LEU HD12 . 30097 1 571 . 1 1 49 49 LEU HD13 H 1 0.452 0.020 . . . . . A 49 LEU HD13 . 30097 1 572 . 1 1 49 49 LEU HD21 H 1 0.673 0.020 . . . . . A 49 LEU HD21 . 30097 1 573 . 1 1 49 49 LEU HD22 H 1 0.673 0.020 . . . . . A 49 LEU HD22 . 30097 1 574 . 1 1 49 49 LEU HD23 H 1 0.673 0.020 . . . . . A 49 LEU HD23 . 30097 1 575 . 1 1 49 49 LEU C C 13 179.751 0.020 . . . . . A 49 LEU C . 30097 1 576 . 1 1 49 49 LEU CA C 13 58.601 0.020 . . . . . A 49 LEU CA . 30097 1 577 . 1 1 49 49 LEU CB C 13 41.795 0.020 . . . . . A 49 LEU CB . 30097 1 578 . 1 1 49 49 LEU CG C 13 27.231 0.020 . . . . . A 49 LEU CG . 30097 1 579 . 1 1 49 49 LEU CD1 C 13 24.905 0.020 . . . . . A 49 LEU CD1 . 30097 1 580 . 1 1 49 49 LEU CD2 C 13 27.034 0.020 . . . . . A 49 LEU CD2 . 30097 1 581 . 1 1 49 49 LEU N N 15 121.306 0.020 . . . . . A 49 LEU N . 30097 1 582 . 1 1 50 50 LEU H H 1 8.420 0.020 . . . . . A 50 LEU H . 30097 1 583 . 1 1 50 50 LEU HA H 1 4.016 0.020 . . . . . A 50 LEU HA . 30097 1 584 . 1 1 50 50 LEU HB2 H 1 1.852 0.020 . . . . . A 50 LEU HB2 . 30097 1 585 . 1 1 50 50 LEU HB3 H 1 1.612 0.020 . . . . . A 50 LEU HB3 . 30097 1 586 . 1 1 50 50 LEU HG H 1 1.737 0.020 . . . . . A 50 LEU HG . 30097 1 587 . 1 1 50 50 LEU HD11 H 1 0.872 0.020 . . . . . A 50 LEU HD11 . 30097 1 588 . 1 1 50 50 LEU HD12 H 1 0.872 0.020 . . . . . A 50 LEU HD12 . 30097 1 589 . 1 1 50 50 LEU HD13 H 1 0.872 0.020 . . . . . A 50 LEU HD13 . 30097 1 590 . 1 1 50 50 LEU HD21 H 1 0.864 0.020 . . . . . A 50 LEU HD21 . 30097 1 591 . 1 1 50 50 LEU HD22 H 1 0.864 0.020 . . . . . A 50 LEU HD22 . 30097 1 592 . 1 1 50 50 LEU HD23 H 1 0.864 0.020 . . . . . A 50 LEU HD23 . 30097 1 593 . 1 1 50 50 LEU C C 13 177.692 0.020 . . . . . A 50 LEU C . 30097 1 594 . 1 1 50 50 LEU CA C 13 56.650 0.020 . . . . . A 50 LEU CA . 30097 1 595 . 1 1 50 50 LEU CB C 13 41.204 0.020 . . . . . A 50 LEU CB . 30097 1 596 . 1 1 50 50 LEU CG C 13 27.474 0.020 . . . . . A 50 LEU CG . 30097 1 597 . 1 1 50 50 LEU CD1 C 13 25.058 0.020 . . . . . A 50 LEU CD1 . 30097 1 598 . 1 1 50 50 LEU CD2 C 13 22.530 0.020 . . . . . A 50 LEU CD2 . 30097 1 599 . 1 1 50 50 LEU N N 15 119.347 0.020 . . . . . A 50 LEU N . 30097 1 600 . 1 1 51 51 SER H H 1 7.689 0.020 . . . . . A 51 SER H . 30097 1 601 . 1 1 51 51 SER HA H 1 4.265 0.020 . . . . . A 51 SER HA . 30097 1 602 . 1 1 51 51 SER HB2 H 1 4.194 0.020 . . . . . A 51 SER HB2 . 30097 1 603 . 1 1 51 51 SER HB3 H 1 4.121 0.020 . . . . . A 51 SER HB3 . 30097 1 604 . 1 1 51 51 SER HG H 1 5.979 0.020 . . . . . A 51 SER HG . 30097 1 605 . 1 1 51 51 SER C C 13 175.733 0.020 . . . . . A 51 SER C . 30097 1 606 . 1 1 51 51 SER CA C 13 60.729 0.020 . . . . . A 51 SER CA . 30097 1 607 . 1 1 51 51 SER CB C 13 64.250 0.020 . . . . . A 51 SER CB . 30097 1 608 . 1 1 51 51 SER N N 15 114.799 0.020 . . . . . A 51 SER N . 30097 1 609 . 1 1 52 52 GLY H H 1 7.455 0.020 . . . . . A 52 GLY H . 30097 1 610 . 1 1 52 52 GLY HA2 H 1 4.234 0.020 . . . . . A 52 GLY HA2 . 30097 1 611 . 1 1 52 52 GLY HA3 H 1 3.777 0.020 . . . . . A 52 GLY HA3 . 30097 1 612 . 1 1 52 52 GLY C C 13 172.591 0.020 . . . . . A 52 GLY C . 30097 1 613 . 1 1 52 52 GLY CA C 13 45.709 0.020 . . . . . A 52 GLY CA . 30097 1 614 . 1 1 52 52 GLY N N 15 109.103 0.020 . . . . . A 52 GLY N . 30097 1 615 . 1 1 53 53 ASP H H 1 8.114 0.020 . . . . . A 53 ASP H . 30097 1 616 . 1 1 53 53 ASP HA H 1 4.823 0.020 . . . . . A 53 ASP HA . 30097 1 617 . 1 1 53 53 ASP HB2 H 1 3.073 0.020 . . . . . A 53 ASP HB2 . 30097 1 618 . 1 1 53 53 ASP HB3 H 1 2.510 0.020 . . . . . A 53 ASP HB3 . 30097 1 619 . 1 1 53 53 ASP C C 13 176.989 0.020 . . . . . A 53 ASP C . 30097 1 620 . 1 1 53 53 ASP CA C 13 52.688 0.020 . . . . . A 53 ASP CA . 30097 1 621 . 1 1 53 53 ASP CB C 13 41.726 0.020 . . . . . A 53 ASP CB . 30097 1 622 . 1 1 53 53 ASP N N 15 121.490 0.020 . . . . . A 53 ASP N . 30097 1 623 . 1 1 54 54 LEU H H 1 9.070 0.020 . . . . . A 54 LEU H . 30097 1 624 . 1 1 54 54 LEU HA H 1 4.076 0.020 . . . . . A 54 LEU HA . 30097 1 625 . 1 1 54 54 LEU HB2 H 1 1.873 0.020 . . . . . A 54 LEU HB2 . 30097 1 626 . 1 1 54 54 LEU HB3 H 1 1.626 0.020 . . . . . A 54 LEU HB3 . 30097 1 627 . 1 1 54 54 LEU HG H 1 1.748 0.020 . . . . . A 54 LEU HG . 30097 1 628 . 1 1 54 54 LEU HD11 H 1 0.954 0.020 . . . . . A 54 LEU HD11 . 30097 1 629 . 1 1 54 54 LEU HD12 H 1 0.954 0.020 . . . . . A 54 LEU HD12 . 30097 1 630 . 1 1 54 54 LEU HD13 H 1 0.954 0.020 . . . . . A 54 LEU HD13 . 30097 1 631 . 1 1 54 54 LEU HD21 H 1 0.937 0.020 . . . . . A 54 LEU HD21 . 30097 1 632 . 1 1 54 54 LEU HD22 H 1 0.937 0.020 . . . . . A 54 LEU HD22 . 30097 1 633 . 1 1 54 54 LEU HD23 H 1 0.937 0.020 . . . . . A 54 LEU HD23 . 30097 1 634 . 1 1 54 54 LEU C C 13 178.803 0.020 . . . . . A 54 LEU C . 30097 1 635 . 1 1 54 54 LEU CA C 13 57.922 0.020 . . . . . A 54 LEU CA . 30097 1 636 . 1 1 54 54 LEU CB C 13 41.597 0.020 . . . . . A 54 LEU CB . 30097 1 637 . 1 1 54 54 LEU CG C 13 26.900 0.020 . . . . . A 54 LEU CG . 30097 1 638 . 1 1 54 54 LEU CD1 C 13 25.411 0.020 . . . . . A 54 LEU CD1 . 30097 1 639 . 1 1 54 54 LEU CD2 C 13 23.090 0.020 . . . . . A 54 LEU CD2 . 30097 1 640 . 1 1 54 54 LEU N N 15 129.712 0.020 . . . . . A 54 LEU N . 30097 1 641 . 1 1 55 55 GLU H H 1 8.386 0.020 . . . . . A 55 GLU H . 30097 1 642 . 1 1 55 55 GLU HA H 1 4.099 0.020 . . . . . A 55 GLU HA . 30097 1 643 . 1 1 55 55 GLU HB2 H 1 2.192 0.020 . . . . . A 55 GLU HB2 . 30097 1 644 . 1 1 55 55 GLU HB3 H 1 2.192 0.020 . . . . . A 55 GLU HB3 . 30097 1 645 . 1 1 55 55 GLU HG2 H 1 2.378 0.020 . . . . . A 55 GLU HG2 . 30097 1 646 . 1 1 55 55 GLU HG3 H 1 2.276 0.020 . . . . . A 55 GLU HG3 . 30097 1 647 . 1 1 55 55 GLU C C 13 179.075 0.020 . . . . . A 55 GLU C . 30097 1 648 . 1 1 55 55 GLU CA C 13 59.666 0.020 . . . . . A 55 GLU CA . 30097 1 649 . 1 1 55 55 GLU CB C 13 28.815 0.020 . . . . . A 55 GLU CB . 30097 1 650 . 1 1 55 55 GLU CG C 13 36.565 0.020 . . . . . A 55 GLU CG . 30097 1 651 . 1 1 55 55 GLU N N 15 120.913 0.020 . . . . . A 55 GLU N . 30097 1 652 . 1 1 56 56 LYS H H 1 7.833 0.020 . . . . . A 56 LYS H . 30097 1 653 . 1 1 56 56 LYS HA H 1 3.977 0.020 . . . . . A 56 LYS HA . 30097 1 654 . 1 1 56 56 LYS HB2 H 1 1.925 0.020 . . . . . A 56 LYS HB2 . 30097 1 655 . 1 1 56 56 LYS HB3 H 1 1.925 0.020 . . . . . A 56 LYS HB3 . 30097 1 656 . 1 1 56 56 LYS HG2 H 1 1.534 0.020 . . . . . A 56 LYS HG2 . 30097 1 657 . 1 1 56 56 LYS HG3 H 1 1.410 0.020 . . . . . A 56 LYS HG3 . 30097 1 658 . 1 1 56 56 LYS HD2 H 1 1.783 0.020 . . . . . A 56 LYS HD2 . 30097 1 659 . 1 1 56 56 LYS HD3 H 1 1.783 0.020 . . . . . A 56 LYS HD3 . 30097 1 660 . 1 1 56 56 LYS HE2 H 1 3.004 0.020 . . . . . A 56 LYS HE2 . 30097 1 661 . 1 1 56 56 LYS HE3 H 1 3.004 0.020 . . . . . A 56 LYS HE3 . 30097 1 662 . 1 1 56 56 LYS C C 13 178.178 0.020 . . . . . A 56 LYS C . 30097 1 663 . 1 1 56 56 LYS CA C 13 59.683 0.020 . . . . . A 56 LYS CA . 30097 1 664 . 1 1 56 56 LYS CB C 13 32.472 0.020 . . . . . A 56 LYS CB . 30097 1 665 . 1 1 56 56 LYS CG C 13 25.765 0.020 . . . . . A 56 LYS CG . 30097 1 666 . 1 1 56 56 LYS CD C 13 29.479 0.020 . . . . . A 56 LYS CD . 30097 1 667 . 1 1 56 56 LYS CE C 13 42.011 0.020 . . . . . A 56 LYS CE . 30097 1 668 . 1 1 56 56 LYS N N 15 120.982 0.020 . . . . . A 56 LYS N . 30097 1 669 . 1 1 57 57 PHE H H 1 7.674 0.020 . . . . . A 57 PHE H . 30097 1 670 . 1 1 57 57 PHE HA H 1 4.055 0.020 . . . . . A 57 PHE HA . 30097 1 671 . 1 1 57 57 PHE HB2 H 1 3.170 0.020 . . . . . A 57 PHE HB2 . 30097 1 672 . 1 1 57 57 PHE HB3 H 1 3.065 0.020 . . . . . A 57 PHE HB3 . 30097 1 673 . 1 1 57 57 PHE HD1 H 1 7.051 0.020 . . . . . A 57 PHE HD1 . 30097 1 674 . 1 1 57 57 PHE HD2 H 1 7.051 0.020 . . . . . A 57 PHE HD2 . 30097 1 675 . 1 1 57 57 PHE HE1 H 1 7.295 0.020 . . . . . A 57 PHE HE1 . 30097 1 676 . 1 1 57 57 PHE HE2 H 1 7.295 0.020 . . . . . A 57 PHE HE2 . 30097 1 677 . 1 1 57 57 PHE HZ H 1 6.990 0.020 . . . . . A 57 PHE HZ . 30097 1 678 . 1 1 57 57 PHE C C 13 175.249 0.020 . . . . . A 57 PHE C . 30097 1 679 . 1 1 57 57 PHE CA C 13 61.400 0.020 . . . . . A 57 PHE CA . 30097 1 680 . 1 1 57 57 PHE CB C 13 39.638 0.020 . . . . . A 57 PHE CB . 30097 1 681 . 1 1 57 57 PHE CD1 C 13 131.678 0.020 . . . . . A 57 PHE CD1 . 30097 1 682 . 1 1 57 57 PHE CE1 C 13 131.680 0.020 . . . . . A 57 PHE CE1 . 30097 1 683 . 1 1 57 57 PHE CZ C 13 128.727 0.020 . . . . . A 57 PHE CZ . 30097 1 684 . 1 1 57 57 PHE N N 15 117.585 0.020 . . . . . A 57 PHE N . 30097 1 685 . 1 1 58 58 SER H H 1 8.550 0.020 . . . . . A 58 SER H . 30097 1 686 . 1 1 58 58 SER HA H 1 3.808 0.020 . . . . . A 58 SER HA . 30097 1 687 . 1 1 58 58 SER HB2 H 1 4.020 0.020 . . . . . A 58 SER HB2 . 30097 1 688 . 1 1 58 58 SER HB3 H 1 3.935 0.020 . . . . . A 58 SER HB3 . 30097 1 689 . 1 1 58 58 SER C C 13 175.557 0.020 . . . . . A 58 SER C . 30097 1 690 . 1 1 58 58 SER CA C 13 62.060 0.020 . . . . . A 58 SER CA . 30097 1 691 . 1 1 58 58 SER CB C 13 63.044 0.020 . . . . . A 58 SER CB . 30097 1 692 . 1 1 58 58 SER N N 15 112.833 0.020 . . . . . A 58 SER N . 30097 1 693 . 1 1 59 59 ARG H H 1 8.135 0.020 . . . . . A 59 ARG H . 30097 1 694 . 1 1 59 59 ARG HA H 1 3.993 0.020 . . . . . A 59 ARG HA . 30097 1 695 . 1 1 59 59 ARG HB2 H 1 1.966 0.020 . . . . . A 59 ARG HB2 . 30097 1 696 . 1 1 59 59 ARG HB3 H 1 1.916 0.020 . . . . . A 59 ARG HB3 . 30097 1 697 . 1 1 59 59 ARG HG2 H 1 1.746 0.020 . . . . . A 59 ARG HG2 . 30097 1 698 . 1 1 59 59 ARG HG3 H 1 1.600 0.020 . . . . . A 59 ARG HG3 . 30097 1 699 . 1 1 59 59 ARG HD2 H 1 3.203 0.020 . . . . . A 59 ARG HD2 . 30097 1 700 . 1 1 59 59 ARG HD3 H 1 3.203 0.020 . . . . . A 59 ARG HD3 . 30097 1 701 . 1 1 59 59 ARG HE H 1 7.471 0.020 . . . . . A 59 ARG HE . 30097 1 702 . 1 1 59 59 ARG C C 13 178.753 0.020 . . . . . A 59 ARG C . 30097 1 703 . 1 1 59 59 ARG CA C 13 59.506 0.020 . . . . . A 59 ARG CA . 30097 1 704 . 1 1 59 59 ARG CB C 13 29.988 0.020 . . . . . A 59 ARG CB . 30097 1 705 . 1 1 59 59 ARG CD C 13 43.451 0.020 . . . . . A 59 ARG CD . 30097 1 706 . 1 1 59 59 ARG N N 15 120.594 0.020 . . . . . A 59 ARG N . 30097 1 707 . 1 1 59 59 ARG NE N 15 84.552 0.020 . . . . . A 59 ARG NE . 30097 1 708 . 1 1 60 60 VAL H H 1 7.901 0.020 . . . . . A 60 VAL H . 30097 1 709 . 1 1 60 60 VAL HA H 1 3.681 0.020 . . . . . A 60 VAL HA . 30097 1 710 . 1 1 60 60 VAL HB H 1 1.840 0.020 . . . . . A 60 VAL HB . 30097 1 711 . 1 1 60 60 VAL HG11 H 1 1.034 0.020 . . . . . A 60 VAL HG11 . 30097 1 712 . 1 1 60 60 VAL HG12 H 1 1.034 0.020 . . . . . A 60 VAL HG12 . 30097 1 713 . 1 1 60 60 VAL HG13 H 1 1.034 0.020 . . . . . A 60 VAL HG13 . 30097 1 714 . 1 1 60 60 VAL HG21 H 1 0.764 0.020 . . . . . A 60 VAL HG21 . 30097 1 715 . 1 1 60 60 VAL HG22 H 1 0.764 0.020 . . . . . A 60 VAL HG22 . 30097 1 716 . 1 1 60 60 VAL HG23 H 1 0.764 0.020 . . . . . A 60 VAL HG23 . 30097 1 717 . 1 1 60 60 VAL C C 13 177.700 0.020 . . . . . A 60 VAL C . 30097 1 718 . 1 1 60 60 VAL CA C 13 66.528 0.020 . . . . . A 60 VAL CA . 30097 1 719 . 1 1 60 60 VAL CB C 13 31.154 0.020 . . . . . A 60 VAL CB . 30097 1 720 . 1 1 60 60 VAL CG1 C 13 23.098 0.020 . . . . . A 60 VAL CG1 . 30097 1 721 . 1 1 60 60 VAL CG2 C 13 21.966 0.020 . . . . . A 60 VAL CG2 . 30097 1 722 . 1 1 60 60 VAL N N 15 119.978 0.020 . . . . . A 60 VAL N . 30097 1 723 . 1 1 61 61 LEU H H 1 7.752 0.020 . . . . . A 61 LEU H . 30097 1 724 . 1 1 61 61 LEU HA H 1 3.736 0.020 . . . . . A 61 LEU HA . 30097 1 725 . 1 1 61 61 LEU HB2 H 1 1.444 0.020 . . . . . A 61 LEU HB2 . 30097 1 726 . 1 1 61 61 LEU HB3 H 1 1.372 0.020 . . . . . A 61 LEU HB3 . 30097 1 727 . 1 1 61 61 LEU HG H 1 1.255 0.020 . . . . . A 61 LEU HG . 30097 1 728 . 1 1 61 61 LEU HD11 H 1 0.655 0.020 . . . . . A 61 LEU HD11 . 30097 1 729 . 1 1 61 61 LEU HD12 H 1 0.655 0.020 . . . . . A 61 LEU HD12 . 30097 1 730 . 1 1 61 61 LEU HD13 H 1 0.655 0.020 . . . . . A 61 LEU HD13 . 30097 1 731 . 1 1 61 61 LEU HD21 H 1 0.573 0.020 . . . . . A 61 LEU HD21 . 30097 1 732 . 1 1 61 61 LEU HD22 H 1 0.573 0.020 . . . . . A 61 LEU HD22 . 30097 1 733 . 1 1 61 61 LEU HD23 H 1 0.573 0.020 . . . . . A 61 LEU HD23 . 30097 1 734 . 1 1 61 61 LEU C C 13 179.817 0.020 . . . . . A 61 LEU C . 30097 1 735 . 1 1 61 61 LEU CA C 13 58.549 0.020 . . . . . A 61 LEU CA . 30097 1 736 . 1 1 61 61 LEU CB C 13 42.111 0.020 . . . . . A 61 LEU CB . 30097 1 737 . 1 1 61 61 LEU CG C 13 26.236 0.020 . . . . . A 61 LEU CG . 30097 1 738 . 1 1 61 61 LEU CD1 C 13 24.784 0.020 . . . . . A 61 LEU CD1 . 30097 1 739 . 1 1 61 61 LEU CD2 C 13 24.852 0.020 . . . . . A 61 LEU CD2 . 30097 1 740 . 1 1 61 61 LEU N N 15 119.860 0.020 . . . . . A 61 LEU N . 30097 1 741 . 1 1 62 62 VAL H H 1 7.905 0.020 . . . . . A 62 VAL H . 30097 1 742 . 1 1 62 62 VAL HA H 1 3.679 0.020 . . . . . A 62 VAL HA . 30097 1 743 . 1 1 62 62 VAL HB H 1 2.125 0.020 . . . . . A 62 VAL HB . 30097 1 744 . 1 1 62 62 VAL HG11 H 1 1.046 0.020 . . . . . A 62 VAL HG11 . 30097 1 745 . 1 1 62 62 VAL HG12 H 1 1.046 0.020 . . . . . A 62 VAL HG12 . 30097 1 746 . 1 1 62 62 VAL HG13 H 1 1.046 0.020 . . . . . A 62 VAL HG13 . 30097 1 747 . 1 1 62 62 VAL HG21 H 1 0.937 0.020 . . . . . A 62 VAL HG21 . 30097 1 748 . 1 1 62 62 VAL HG22 H 1 0.937 0.020 . . . . . A 62 VAL HG22 . 30097 1 749 . 1 1 62 62 VAL HG23 H 1 0.937 0.020 . . . . . A 62 VAL HG23 . 30097 1 750 . 1 1 62 62 VAL C C 13 178.682 0.020 . . . . . A 62 VAL C . 30097 1 751 . 1 1 62 62 VAL CA C 13 66.442 0.020 . . . . . A 62 VAL CA . 30097 1 752 . 1 1 62 62 VAL CB C 13 31.847 0.020 . . . . . A 62 VAL CB . 30097 1 753 . 1 1 62 62 VAL CG1 C 13 23.071 0.020 . . . . . A 62 VAL CG1 . 30097 1 754 . 1 1 62 62 VAL CG2 C 13 21.110 0.020 . . . . . A 62 VAL CG2 . 30097 1 755 . 1 1 62 62 VAL N N 15 118.456 0.020 . . . . . A 62 VAL N . 30097 1 756 . 1 1 63 63 GLU H H 1 8.375 0.020 . . . . . A 63 GLU H . 30097 1 757 . 1 1 63 63 GLU HA H 1 3.996 0.020 . . . . . A 63 GLU HA . 30097 1 758 . 1 1 63 63 GLU HB2 H 1 2.205 0.020 . . . . . A 63 GLU HB2 . 30097 1 759 . 1 1 63 63 GLU HB3 H 1 2.075 0.020 . . . . . A 63 GLU HB3 . 30097 1 760 . 1 1 63 63 GLU HG2 H 1 2.481 0.020 . . . . . A 63 GLU HG2 . 30097 1 761 . 1 1 63 63 GLU HG3 H 1 2.263 0.020 . . . . . A 63 GLU HG3 . 30097 1 762 . 1 1 63 63 GLU C C 13 180.052 0.020 . . . . . A 63 GLU C . 30097 1 763 . 1 1 63 63 GLU CA C 13 59.699 0.020 . . . . . A 63 GLU CA . 30097 1 764 . 1 1 63 63 GLU CB C 13 29.379 0.020 . . . . . A 63 GLU CB . 30097 1 765 . 1 1 63 63 GLU CG C 13 36.636 0.020 . . . . . A 63 GLU CG . 30097 1 766 . 1 1 63 63 GLU N N 15 121.544 0.020 . . . . . A 63 GLU N . 30097 1 767 . 1 1 64 64 GLN H H 1 8.532 0.020 . . . . . A 64 GLN H . 30097 1 768 . 1 1 64 64 GLN HA H 1 4.163 0.020 . . . . . A 64 GLN HA . 30097 1 769 . 1 1 64 64 GLN HB2 H 1 2.139 0.020 . . . . . A 64 GLN HB2 . 30097 1 770 . 1 1 64 64 GLN HB3 H 1 2.004 0.020 . . . . . A 64 GLN HB3 . 30097 1 771 . 1 1 64 64 GLN HG2 H 1 2.962 0.020 . . . . . A 64 GLN HG2 . 30097 1 772 . 1 1 64 64 GLN HG3 H 1 2.406 0.020 . . . . . A 64 GLN HG3 . 30097 1 773 . 1 1 64 64 GLN HE21 H 1 7.671 0.020 . . . . . A 64 GLN HE21 . 30097 1 774 . 1 1 64 64 GLN HE22 H 1 7.645 0.020 . . . . . A 64 GLN HE22 . 30097 1 775 . 1 1 64 64 GLN C C 13 179.334 0.020 . . . . . A 64 GLN C . 30097 1 776 . 1 1 64 64 GLN CA C 13 59.184 0.020 . . . . . A 64 GLN CA . 30097 1 777 . 1 1 64 64 GLN CB C 13 27.584 0.020 . . . . . A 64 GLN CB . 30097 1 778 . 1 1 64 64 GLN CG C 13 34.632 0.020 . . . . . A 64 GLN CG . 30097 1 779 . 1 1 64 64 GLN N N 15 117.698 0.020 . . . . . A 64 GLN N . 30097 1 780 . 1 1 64 64 GLN NE2 N 15 108.978 0.020 . . . . . A 64 GLN NE2 . 30097 1 781 . 1 1 65 65 GLN H H 1 8.106 0.020 . . . . . A 65 GLN H . 30097 1 782 . 1 1 65 65 GLN HA H 1 4.103 0.020 . . . . . A 65 GLN HA . 30097 1 783 . 1 1 65 65 GLN HB2 H 1 2.243 0.020 . . . . . A 65 GLN HB2 . 30097 1 784 . 1 1 65 65 GLN HB3 H 1 2.243 0.020 . . . . . A 65 GLN HB3 . 30097 1 785 . 1 1 65 65 GLN HG2 H 1 2.530 0.020 . . . . . A 65 GLN HG2 . 30097 1 786 . 1 1 65 65 GLN HG3 H 1 2.422 0.020 . . . . . A 65 GLN HG3 . 30097 1 787 . 1 1 65 65 GLN HE21 H 1 7.405 0.020 . . . . . A 65 GLN HE21 . 30097 1 788 . 1 1 65 65 GLN HE22 H 1 6.859 0.020 . . . . . A 65 GLN HE22 . 30097 1 789 . 1 1 65 65 GLN C C 13 178.711 0.020 . . . . . A 65 GLN C . 30097 1 790 . 1 1 65 65 GLN CA C 13 58.745 0.020 . . . . . A 65 GLN CA . 30097 1 791 . 1 1 65 65 GLN CB C 13 28.044 0.020 . . . . . A 65 GLN CB . 30097 1 792 . 1 1 65 65 GLN CG C 13 33.789 0.020 . . . . . A 65 GLN CG . 30097 1 793 . 1 1 65 65 GLN N N 15 120.586 0.020 . . . . . A 65 GLN N . 30097 1 794 . 1 1 65 65 GLN NE2 N 15 111.184 0.020 . . . . . A 65 GLN NE2 . 30097 1 795 . 1 1 66 66 GLN H H 1 8.424 0.020 . . . . . A 66 GLN H . 30097 1 796 . 1 1 66 66 GLN HA H 1 4.129 0.020 . . . . . A 66 GLN HA . 30097 1 797 . 1 1 66 66 GLN HB2 H 1 2.246 0.020 . . . . . A 66 GLN HB2 . 30097 1 798 . 1 1 66 66 GLN HB3 H 1 2.108 0.020 . . . . . A 66 GLN HB3 . 30097 1 799 . 1 1 66 66 GLN HG2 H 1 2.606 0.020 . . . . . A 66 GLN HG2 . 30097 1 800 . 1 1 66 66 GLN HG3 H 1 2.436 0.020 . . . . . A 66 GLN HG3 . 30097 1 801 . 1 1 66 66 GLN HE21 H 1 7.449 0.020 . . . . . A 66 GLN HE21 . 30097 1 802 . 1 1 66 66 GLN HE22 H 1 6.839 0.020 . . . . . A 66 GLN HE22 . 30097 1 803 . 1 1 66 66 GLN C C 13 178.411 0.020 . . . . . A 66 GLN C . 30097 1 804 . 1 1 66 66 GLN CA C 13 58.423 0.020 . . . . . A 66 GLN CA . 30097 1 805 . 1 1 66 66 GLN CB C 13 28.200 0.020 . . . . . A 66 GLN CB . 30097 1 806 . 1 1 66 66 GLN CG C 13 34.191 0.020 . . . . . A 66 GLN CG . 30097 1 807 . 1 1 66 66 GLN N N 15 119.838 0.020 . . . . . A 66 GLN N . 30097 1 808 . 1 1 66 66 GLN NE2 N 15 111.599 0.020 . . . . . A 66 GLN NE2 . 30097 1 809 . 1 1 67 67 ASP H H 1 8.192 0.020 . . . . . A 67 ASP H . 30097 1 810 . 1 1 67 67 ASP HA H 1 4.492 0.020 . . . . . A 67 ASP HA . 30097 1 811 . 1 1 67 67 ASP HB2 H 1 2.818 0.020 . . . . . A 67 ASP HB2 . 30097 1 812 . 1 1 67 67 ASP HB3 H 1 2.752 0.020 . . . . . A 67 ASP HB3 . 30097 1 813 . 1 1 67 67 ASP C C 13 177.882 0.020 . . . . . A 67 ASP C . 30097 1 814 . 1 1 67 67 ASP CA C 13 57.001 0.020 . . . . . A 67 ASP CA . 30097 1 815 . 1 1 67 67 ASP CB C 13 41.456 0.020 . . . . . A 67 ASP CB . 30097 1 816 . 1 1 67 67 ASP N N 15 120.741 0.020 . . . . . A 67 ASP N . 30097 1 817 . 1 1 68 68 ARG H H 1 8.033 0.020 . . . . . A 68 ARG H . 30097 1 818 . 1 1 68 68 ARG HA H 1 3.991 0.020 . . . . . A 68 ARG HA . 30097 1 819 . 1 1 68 68 ARG HB2 H 1 1.934 0.020 . . . . . A 68 ARG HB2 . 30097 1 820 . 1 1 68 68 ARG HB3 H 1 1.934 0.020 . . . . . A 68 ARG HB3 . 30097 1 821 . 1 1 68 68 ARG HG2 H 1 1.802 0.020 . . . . . A 68 ARG HG2 . 30097 1 822 . 1 1 68 68 ARG HG3 H 1 1.615 0.020 . . . . . A 68 ARG HG3 . 30097 1 823 . 1 1 68 68 ARG HD2 H 1 3.248 0.020 . . . . . A 68 ARG HD2 . 30097 1 824 . 1 1 68 68 ARG HD3 H 1 3.248 0.020 . . . . . A 68 ARG HD3 . 30097 1 825 . 1 1 68 68 ARG HE H 1 7.493 0.020 . . . . . A 68 ARG HE . 30097 1 826 . 1 1 68 68 ARG C C 13 178.464 0.020 . . . . . A 68 ARG C . 30097 1 827 . 1 1 68 68 ARG CA C 13 59.430 0.020 . . . . . A 68 ARG CA . 30097 1 828 . 1 1 68 68 ARG CB C 13 30.031 0.020 . . . . . A 68 ARG CB . 30097 1 829 . 1 1 68 68 ARG CD C 13 43.489 0.020 . . . . . A 68 ARG CD . 30097 1 830 . 1 1 68 68 ARG N N 15 119.882 0.020 . . . . . A 68 ARG N . 30097 1 831 . 1 1 68 68 ARG NE N 15 85.320 0.020 . . . . . A 68 ARG NE . 30097 1 832 . 1 1 69 69 ALA H H 1 8.097 0.020 . . . . . A 69 ALA H . 30097 1 833 . 1 1 69 69 ALA HA H 1 4.207 0.020 . . . . . A 69 ALA HA . 30097 1 834 . 1 1 69 69 ALA HB1 H 1 1.499 0.020 . . . . . A 69 ALA HB1 . 30097 1 835 . 1 1 69 69 ALA HB2 H 1 1.499 0.020 . . . . . A 69 ALA HB2 . 30097 1 836 . 1 1 69 69 ALA HB3 H 1 1.499 0.020 . . . . . A 69 ALA HB3 . 30097 1 837 . 1 1 69 69 ALA C C 13 180.095 0.020 . . . . . A 69 ALA C . 30097 1 838 . 1 1 69 69 ALA CA C 13 54.718 0.020 . . . . . A 69 ALA CA . 30097 1 839 . 1 1 69 69 ALA CB C 13 18.127 0.020 . . . . . A 69 ALA CB . 30097 1 840 . 1 1 69 69 ALA N N 15 121.735 0.020 . . . . . A 69 ALA N . 30097 1 841 . 1 1 70 70 ARG H H 1 8.041 0.020 . . . . . A 70 ARG H . 30097 1 842 . 1 1 70 70 ARG HA H 1 4.132 0.020 . . . . . A 70 ARG HA . 30097 1 843 . 1 1 70 70 ARG HB2 H 1 1.982 0.020 . . . . . A 70 ARG HB2 . 30097 1 844 . 1 1 70 70 ARG HB3 H 1 1.982 0.020 . . . . . A 70 ARG HB3 . 30097 1 845 . 1 1 70 70 ARG HG2 H 1 1.793 0.020 . . . . . A 70 ARG HG2 . 30097 1 846 . 1 1 70 70 ARG HG3 H 1 1.611 0.020 . . . . . A 70 ARG HG3 . 30097 1 847 . 1 1 70 70 ARG HD2 H 1 3.248 0.020 . . . . . A 70 ARG HD2 . 30097 1 848 . 1 1 70 70 ARG HD3 H 1 3.248 0.020 . . . . . A 70 ARG HD3 . 30097 1 849 . 1 1 70 70 ARG HE H 1 7.370 0.020 . . . . . A 70 ARG HE . 30097 1 850 . 1 1 70 70 ARG C C 13 178.712 0.020 . . . . . A 70 ARG C . 30097 1 851 . 1 1 70 70 ARG CA C 13 58.870 0.020 . . . . . A 70 ARG CA . 30097 1 852 . 1 1 70 70 ARG CB C 13 30.087 0.020 . . . . . A 70 ARG CB . 30097 1 853 . 1 1 70 70 ARG CG C 13 27.654 0.020 . . . . . A 70 ARG CG . 30097 1 854 . 1 1 70 70 ARG CD C 13 43.412 0.020 . . . . . A 70 ARG CD . 30097 1 855 . 1 1 70 70 ARG N N 15 119.204 0.020 . . . . . A 70 ARG N . 30097 1 856 . 1 1 70 70 ARG NE N 15 84.076 0.020 . . . . . A 70 ARG NE . 30097 1 857 . 1 1 71 71 ARG H H 1 8.113 0.020 . . . . . A 71 ARG H . 30097 1 858 . 1 1 71 71 ARG HA H 1 4.133 0.020 . . . . . A 71 ARG HA . 30097 1 859 . 1 1 71 71 ARG HB2 H 1 1.919 0.020 . . . . . A 71 ARG HB2 . 30097 1 860 . 1 1 71 71 ARG HB3 H 1 1.919 0.020 . . . . . A 71 ARG HB3 . 30097 1 861 . 1 1 71 71 ARG HG2 H 1 1.806 0.020 . . . . . A 71 ARG HG2 . 30097 1 862 . 1 1 71 71 ARG HG3 H 1 1.668 0.020 . . . . . A 71 ARG HG3 . 30097 1 863 . 1 1 71 71 ARG HD2 H 1 3.234 0.020 . . . . . A 71 ARG HD2 . 30097 1 864 . 1 1 71 71 ARG HD3 H 1 3.176 0.020 . . . . . A 71 ARG HD3 . 30097 1 865 . 1 1 71 71 ARG C C 13 178.802 0.020 . . . . . A 71 ARG C . 30097 1 866 . 1 1 71 71 ARG CA C 13 58.687 0.020 . . . . . A 71 ARG CA . 30097 1 867 . 1 1 71 71 ARG CB C 13 30.230 0.020 . . . . . A 71 ARG CB . 30097 1 868 . 1 1 71 71 ARG CG C 13 27.896 0.020 . . . . . A 71 ARG CG . 30097 1 869 . 1 1 71 71 ARG N N 15 119.425 0.020 . . . . . A 71 ARG N . 30097 1 870 . 1 1 72 72 GLU H H 1 8.195 0.020 . . . . . A 72 GLU H . 30097 1 871 . 1 1 72 72 GLU HA H 1 4.205 0.020 . . . . . A 72 GLU HA . 30097 1 872 . 1 1 72 72 GLU HB2 H 1 2.106 0.020 . . . . . A 72 GLU HB2 . 30097 1 873 . 1 1 72 72 GLU HB3 H 1 2.106 0.020 . . . . . A 72 GLU HB3 . 30097 1 874 . 1 1 72 72 GLU HG2 H 1 2.375 0.020 . . . . . A 72 GLU HG2 . 30097 1 875 . 1 1 72 72 GLU HG3 H 1 2.324 0.020 . . . . . A 72 GLU HG3 . 30097 1 876 . 1 1 72 72 GLU C C 13 178.099 0.020 . . . . . A 72 GLU C . 30097 1 877 . 1 1 72 72 GLU CA C 13 58.478 0.020 . . . . . A 72 GLU CA . 30097 1 878 . 1 1 72 72 GLU CB C 13 29.400 0.020 . . . . . A 72 GLU CB . 30097 1 879 . 1 1 72 72 GLU CG C 13 36.093 0.020 . . . . . A 72 GLU CG . 30097 1 880 . 1 1 72 72 GLU N N 15 120.151 0.020 . . . . . A 72 GLU N . 30097 1 881 . 1 1 73 73 GLN H H 1 8.032 0.020 . . . . . A 73 GLN H . 30097 1 882 . 1 1 73 73 GLN HA H 1 4.119 0.020 . . . . . A 73 GLN HA . 30097 1 883 . 1 1 73 73 GLN HB2 H 1 2.183 0.020 . . . . . A 73 GLN HB2 . 30097 1 884 . 1 1 73 73 GLN HB3 H 1 2.183 0.020 . . . . . A 73 GLN HB3 . 30097 1 885 . 1 1 73 73 GLN HG2 H 1 2.478 0.020 . . . . . A 73 GLN HG2 . 30097 1 886 . 1 1 73 73 GLN HG3 H 1 2.478 0.020 . . . . . A 73 GLN HG3 . 30097 1 887 . 1 1 73 73 GLN HE21 H 1 7.547 0.020 . . . . . A 73 GLN HE21 . 30097 1 888 . 1 1 73 73 GLN HE22 H 1 6.864 0.020 . . . . . A 73 GLN HE22 . 30097 1 889 . 1 1 73 73 GLN C C 13 177.921 0.020 . . . . . A 73 GLN C . 30097 1 890 . 1 1 73 73 GLN CA C 13 57.853 0.020 . . . . . A 73 GLN CA . 30097 1 891 . 1 1 73 73 GLN CB C 13 28.648 0.020 . . . . . A 73 GLN CB . 30097 1 892 . 1 1 73 73 GLN CG C 13 34.039 0.020 . . . . . A 73 GLN CG . 30097 1 893 . 1 1 73 73 GLN N N 15 118.498 0.020 . . . . . A 73 GLN N . 30097 1 894 . 1 1 73 73 GLN NE2 N 15 112.152 0.020 . . . . . A 73 GLN NE2 . 30097 1 895 . 1 1 74 74 GLU H H 1 8.076 0.020 . . . . . A 74 GLU H . 30097 1 896 . 1 1 74 74 GLU HA H 1 4.152 0.020 . . . . . A 74 GLU HA . 30097 1 897 . 1 1 74 74 GLU HB2 H 1 2.089 0.020 . . . . . A 74 GLU HB2 . 30097 1 898 . 1 1 74 74 GLU HB3 H 1 2.089 0.020 . . . . . A 74 GLU HB3 . 30097 1 899 . 1 1 74 74 GLU HG2 H 1 2.398 0.020 . . . . . A 74 GLU HG2 . 30097 1 900 . 1 1 74 74 GLU HG3 H 1 2.282 0.020 . . . . . A 74 GLU HG3 . 30097 1 901 . 1 1 74 74 GLU C C 13 177.484 0.020 . . . . . A 74 GLU C . 30097 1 902 . 1 1 74 74 GLU CA C 13 58.096 0.020 . . . . . A 74 GLU CA . 30097 1 903 . 1 1 74 74 GLU CB C 13 29.788 0.020 . . . . . A 74 GLU CB . 30097 1 904 . 1 1 74 74 GLU CG C 13 36.343 0.020 . . . . . A 74 GLU CG . 30097 1 905 . 1 1 74 74 GLU N N 15 119.517 0.020 . . . . . A 74 GLU N . 30097 1 906 . 1 1 75 75 ARG H H 1 7.921 0.020 . . . . . A 75 ARG H . 30097 1 907 . 1 1 75 75 ARG HA H 1 4.146 0.020 . . . . . A 75 ARG HA . 30097 1 908 . 1 1 75 75 ARG HB2 H 1 1.970 0.020 . . . . . A 75 ARG HB2 . 30097 1 909 . 1 1 75 75 ARG HB3 H 1 1.897 0.020 . . . . . A 75 ARG HB3 . 30097 1 910 . 1 1 75 75 ARG HG2 H 1 1.732 0.020 . . . . . A 75 ARG HG2 . 30097 1 911 . 1 1 75 75 ARG HG3 H 1 1.607 0.020 . . . . . A 75 ARG HG3 . 30097 1 912 . 1 1 75 75 ARG HD2 H 1 3.204 0.020 . . . . . A 75 ARG HD2 . 30097 1 913 . 1 1 75 75 ARG HD3 H 1 3.204 0.020 . . . . . A 75 ARG HD3 . 30097 1 914 . 1 1 75 75 ARG C C 13 177.617 0.020 . . . . . A 75 ARG C . 30097 1 915 . 1 1 75 75 ARG CA C 13 58.164 0.020 . . . . . A 75 ARG CA . 30097 1 916 . 1 1 75 75 ARG CB C 13 30.334 0.020 . . . . . A 75 ARG CB . 30097 1 917 . 1 1 75 75 ARG CG C 13 27.398 0.020 . . . . . A 75 ARG CG . 30097 1 918 . 1 1 75 75 ARG CD C 13 43.424 0.020 . . . . . A 75 ARG CD . 30097 1 919 . 1 1 75 75 ARG N N 15 120.053 0.020 . . . . . A 75 ARG N . 30097 1 920 . 1 1 76 76 ILE H H 1 7.932 0.020 . . . . . A 76 ILE H . 30097 1 921 . 1 1 76 76 ILE HA H 1 3.928 0.020 . . . . . A 76 ILE HA . 30097 1 922 . 1 1 76 76 ILE HB H 1 1.899 0.020 . . . . . A 76 ILE HB . 30097 1 923 . 1 1 76 76 ILE HG12 H 1 1.576 0.020 . . . . . A 76 ILE HG12 . 30097 1 924 . 1 1 76 76 ILE HG13 H 1 1.220 0.020 . . . . . A 76 ILE HG13 . 30097 1 925 . 1 1 76 76 ILE HG21 H 1 0.906 0.020 . . . . . A 76 ILE HG21 . 30097 1 926 . 1 1 76 76 ILE HG22 H 1 0.906 0.020 . . . . . A 76 ILE HG22 . 30097 1 927 . 1 1 76 76 ILE HG23 H 1 0.906 0.020 . . . . . A 76 ILE HG23 . 30097 1 928 . 1 1 76 76 ILE HD11 H 1 0.851 0.020 . . . . . A 76 ILE HD11 . 30097 1 929 . 1 1 76 76 ILE HD12 H 1 0.851 0.020 . . . . . A 76 ILE HD12 . 30097 1 930 . 1 1 76 76 ILE HD13 H 1 0.851 0.020 . . . . . A 76 ILE HD13 . 30097 1 931 . 1 1 76 76 ILE C C 13 177.336 0.020 . . . . . A 76 ILE C . 30097 1 932 . 1 1 76 76 ILE CA C 13 62.803 0.020 . . . . . A 76 ILE CA . 30097 1 933 . 1 1 76 76 ILE CB C 13 38.319 0.020 . . . . . A 76 ILE CB . 30097 1 934 . 1 1 76 76 ILE CG1 C 13 28.137 0.020 . . . . . A 76 ILE CG1 . 30097 1 935 . 1 1 76 76 ILE CG2 C 13 17.450 0.020 . . . . . A 76 ILE CG2 . 30097 1 936 . 1 1 76 76 ILE CD1 C 13 13.099 0.020 . . . . . A 76 ILE CD1 . 30097 1 937 . 1 1 76 76 ILE N N 15 119.144 0.020 . . . . . A 76 ILE N . 30097 1 938 . 1 1 77 77 ARG H H 1 8.019 0.020 . . . . . A 77 ARG H . 30097 1 939 . 1 1 77 77 ARG HA H 1 4.201 0.020 . . . . . A 77 ARG HA . 30097 1 940 . 1 1 77 77 ARG HB2 H 1 1.860 0.020 . . . . . A 77 ARG HB2 . 30097 1 941 . 1 1 77 77 ARG HB3 H 1 1.822 0.020 . . . . . A 77 ARG HB3 . 30097 1 942 . 1 1 77 77 ARG HG2 H 1 1.668 0.020 . . . . . A 77 ARG HG2 . 30097 1 943 . 1 1 77 77 ARG HG3 H 1 1.668 0.020 . . . . . A 77 ARG HG3 . 30097 1 944 . 1 1 77 77 ARG HD2 H 1 3.185 0.020 . . . . . A 77 ARG HD2 . 30097 1 945 . 1 1 77 77 ARG HD3 H 1 3.185 0.020 . . . . . A 77 ARG HD3 . 30097 1 946 . 1 1 77 77 ARG HE H 1 7.350 0.020 . . . . . A 77 ARG HE . 30097 1 947 . 1 1 77 77 ARG C C 13 177.016 0.020 . . . . . A 77 ARG C . 30097 1 948 . 1 1 77 77 ARG CA C 13 57.359 0.020 . . . . . A 77 ARG CA . 30097 1 949 . 1 1 77 77 ARG CB C 13 30.529 0.020 . . . . . A 77 ARG CB . 30097 1 950 . 1 1 77 77 ARG N N 15 122.592 0.020 . . . . . A 77 ARG N . 30097 1 951 . 1 1 77 77 ARG NE N 15 84.733 0.020 . . . . . A 77 ARG NE . 30097 1 952 . 1 1 78 78 LEU H H 1 8.028 0.200 . . . . . A 78 LEU H . 30097 1 953 . 1 1 78 78 LEU HA H 1 4.200 0.200 . . . . . A 78 LEU HA . 30097 1 954 . 1 1 78 78 LEU HB2 H 1 1.598 0.200 . . . . . A 78 LEU HB2 . 30097 1 955 . 1 1 78 78 LEU HB3 H 1 1.384 0.200 . . . . . A 78 LEU HB3 . 30097 1 956 . 1 1 78 78 LEU HG H 1 1.593 0.200 . . . . . A 78 LEU HG . 30097 1 957 . 1 1 78 78 LEU HD11 H 1 0.876 0.200 . . . . . A 78 LEU HD11 . 30097 1 958 . 1 1 78 78 LEU HD12 H 1 0.876 0.200 . . . . . A 78 LEU HD12 . 30097 1 959 . 1 1 78 78 LEU HD13 H 1 0.876 0.200 . . . . . A 78 LEU HD13 . 30097 1 960 . 1 1 78 78 LEU HD21 H 1 0.811 0.200 . . . . . A 78 LEU HD21 . 30097 1 961 . 1 1 78 78 LEU HD22 H 1 0.811 0.200 . . . . . A 78 LEU HD22 . 30097 1 962 . 1 1 78 78 LEU HD23 H 1 0.811 0.200 . . . . . A 78 LEU HD23 . 30097 1 963 . 1 1 78 78 LEU C C 13 177.494 0.020 . . . . . A 78 LEU C . 30097 1 964 . 1 1 78 78 LEU CA C 13 55.892 0.020 . . . . . A 78 LEU CA . 30097 1 965 . 1 1 78 78 LEU CB C 13 42.333 0.200 . . . . . A 78 LEU CB . 30097 1 966 . 1 1 78 78 LEU CG C 13 27.000 0.200 . . . . . A 78 LEU CG . 30097 1 967 . 1 1 78 78 LEU CD1 C 13 25.119 0.200 . . . . . A 78 LEU CD1 . 30097 1 968 . 1 1 78 78 LEU CD2 C 13 23.433 0.200 . . . . . A 78 LEU CD2 . 30097 1 969 . 1 1 78 78 LEU N N 15 121.047 0.200 . . . . . A 78 LEU N . 30097 1 970 . 1 1 79 79 PHE H H 1 8.017 0.200 . . . . . A 79 PHE H . 30097 1 971 . 1 1 79 79 PHE HA H 1 4.629 0.200 . . . . . A 79 PHE HA . 30097 1 972 . 1 1 79 79 PHE HB2 H 1 3.216 0.200 . . . . . A 79 PHE HB2 . 30097 1 973 . 1 1 79 79 PHE HB3 H 1 3.063 0.200 . . . . . A 79 PHE HB3 . 30097 1 974 . 1 1 79 79 PHE HD1 H 1 7.288 0.200 . . . . . A 79 PHE HD1 . 30097 1 975 . 1 1 79 79 PHE HD2 H 1 7.288 0.200 . . . . . A 79 PHE HD2 . 30097 1 976 . 1 1 79 79 PHE HE1 H 1 7.043 0.200 . . . . . A 79 PHE HE1 . 30097 1 977 . 1 1 79 79 PHE HE2 H 1 7.043 0.200 . . . . . A 79 PHE HE2 . 30097 1 978 . 1 1 79 79 PHE C C 13 175.839 0.200 . . . . . A 79 PHE C . 30097 1 979 . 1 1 79 79 PHE CA C 13 57.993 0.200 . . . . . A 79 PHE CA . 30097 1 980 . 1 1 79 79 PHE CB C 13 39.415 0.200 . . . . . A 79 PHE CB . 30097 1 981 . 1 1 79 79 PHE CD1 C 13 131.962 0.200 . . . . . A 79 PHE CD1 . 30097 1 982 . 1 1 79 79 PHE N N 15 118.814 0.200 . . . . . A 79 PHE N . 30097 1 983 . 1 1 80 80 SER H H 1 8.044 0.200 . . . . . A 80 SER H . 30097 1 984 . 1 1 80 80 SER HA H 1 4.404 0.200 . . . . . A 80 SER HA . 30097 1 985 . 1 1 80 80 SER HB2 H 1 3.878 0.200 . . . . . A 80 SER HB2 . 30097 1 986 . 1 1 80 80 SER HB3 H 1 3.837 0.200 . . . . . A 80 SER HB3 . 30097 1 987 . 1 1 80 80 SER C C 13 173.785 0.200 . . . . . A 80 SER C . 30097 1 988 . 1 1 80 80 SER CA C 13 58.344 0.200 . . . . . A 80 SER CA . 30097 1 989 . 1 1 80 80 SER CB C 13 64.017 0.200 . . . . . A 80 SER CB . 30097 1 990 . 1 1 80 80 SER N N 15 116.158 0.200 . . . . . A 80 SER N . 30097 1 991 . 1 1 81 81 ALA H H 1 8.163 0.200 . . . . . A 81 ALA H . 30097 1 992 . 1 1 81 81 ALA HA H 1 4.325 0.200 . . . . . A 81 ALA HA . 30097 1 993 . 1 1 81 81 ALA HB1 H 1 1.388 0.200 . . . . . A 81 ALA HB1 . 30097 1 994 . 1 1 81 81 ALA HB2 H 1 1.388 0.200 . . . . . A 81 ALA HB2 . 30097 1 995 . 1 1 81 81 ALA HB3 H 1 1.388 0.200 . . . . . A 81 ALA HB3 . 30097 1 996 . 1 1 81 81 ALA C C 13 176.958 0.200 . . . . . A 81 ALA C . 30097 1 997 . 1 1 81 81 ALA CA C 13 52.280 0.200 . . . . . A 81 ALA CA . 30097 1 998 . 1 1 81 81 ALA CB C 13 19.453 0.200 . . . . . A 81 ALA CB . 30097 1 999 . 1 1 81 81 ALA N N 15 125.500 0.200 . . . . . A 81 ALA N . 30097 1 1000 . 1 1 82 82 ASP H H 1 8.299 0.200 . . . . . A 82 ASP H . 30097 1 1001 . 1 1 82 82 ASP HA H 1 4.837 0.200 . . . . . A 82 ASP HA . 30097 1 1002 . 1 1 82 82 ASP HB2 H 1 2.755 0.200 . . . . . A 82 ASP HB2 . 30097 1 1003 . 1 1 82 82 ASP HB3 H 1 2.549 0.200 . . . . . A 82 ASP HB3 . 30097 1 1004 . 1 1 82 82 ASP C C 13 174.987 0.200 . . . . . A 82 ASP C . 30097 1 1005 . 1 1 82 82 ASP CA C 13 52.287 0.200 . . . . . A 82 ASP CA . 30097 1 1006 . 1 1 82 82 ASP CB C 13 41.430 0.200 . . . . . A 82 ASP CB . 30097 1 1007 . 1 1 82 82 ASP N N 15 121.076 0.200 . . . . . A 82 ASP N . 30097 1 1008 . 1 1 83 83 PRO HA H 1 4.283 0.200 . . . . . A 83 PRO HA . 30097 1 1009 . 1 1 83 83 PRO HB2 H 1 2.139 0.200 . . . . . A 83 PRO HB2 . 30097 1 1010 . 1 1 83 83 PRO HB3 H 1 1.635 0.200 . . . . . A 83 PRO HB3 . 30097 1 1011 . 1 1 83 83 PRO HG2 H 1 1.905 0.200 . . . . . A 83 PRO HG2 . 30097 1 1012 . 1 1 83 83 PRO HG3 H 1 1.754 0.200 . . . . . A 83 PRO HG3 . 30097 1 1013 . 1 1 83 83 PRO HD2 H 1 3.806 0.200 . . . . . A 83 PRO HD2 . 30097 1 1014 . 1 1 83 83 PRO HD3 H 1 3.726 0.200 . . . . . A 83 PRO HD3 . 30097 1 1015 . 1 1 83 83 PRO C C 13 177.006 0.200 . . . . . A 83 PRO C . 30097 1 1016 . 1 1 83 83 PRO CA C 13 63.812 0.200 . . . . . A 83 PRO CA . 30097 1 1017 . 1 1 83 83 PRO CB C 13 31.906 0.200 . . . . . A 83 PRO CB . 30097 1 1018 . 1 1 83 83 PRO CG C 13 27.078 0.200 . . . . . A 83 PRO CG . 30097 1 1019 . 1 1 83 83 PRO CD C 13 50.731 0.200 . . . . . A 83 PRO CD . 30097 1 1020 . 1 1 84 84 PHE H H 1 8.271 0.200 . . . . . A 84 PHE H . 30097 1 1021 . 1 1 84 84 PHE HA H 1 4.546 0.200 . . . . . A 84 PHE HA . 30097 1 1022 . 1 1 84 84 PHE HB2 H 1 3.196 0.200 . . . . . A 84 PHE HB2 . 30097 1 1023 . 1 1 84 84 PHE HB3 H 1 3.039 0.200 . . . . . A 84 PHE HB3 . 30097 1 1024 . 1 1 84 84 PHE HD1 H 1 7.290 0.200 . . . . . A 84 PHE HD1 . 30097 1 1025 . 1 1 84 84 PHE HD2 H 1 7.290 0.200 . . . . . A 84 PHE HD2 . 30097 1 1026 . 1 1 84 84 PHE HE1 H 1 7.022 0.200 . . . . . A 84 PHE HE1 . 30097 1 1027 . 1 1 84 84 PHE HE2 H 1 7.022 0.200 . . . . . A 84 PHE HE2 . 30097 1 1028 . 1 1 84 84 PHE C C 13 175.682 0.200 . . . . . A 84 PHE C . 30097 1 1029 . 1 1 84 84 PHE CA C 13 57.949 0.200 . . . . . A 84 PHE CA . 30097 1 1030 . 1 1 84 84 PHE CB C 13 38.975 0.200 . . . . . A 84 PHE CB . 30097 1 1031 . 1 1 84 84 PHE CD1 C 13 131.899 0.200 . . . . . A 84 PHE CD1 . 30097 1 1032 . 1 1 84 84 PHE N N 15 118.597 0.200 . . . . . A 84 PHE N . 30097 1 1033 . 1 1 85 85 ASP H H 1 7.958 0.200 . . . . . A 85 ASP H . 30097 1 1034 . 1 1 85 85 ASP HA H 1 4.591 0.200 . . . . . A 85 ASP HA . 30097 1 1035 . 1 1 85 85 ASP HB2 H 1 2.790 0.200 . . . . . A 85 ASP HB2 . 30097 1 1036 . 1 1 85 85 ASP HB3 H 1 2.611 0.200 . . . . . A 85 ASP HB3 . 30097 1 1037 . 1 1 85 85 ASP C C 13 176.483 0.200 . . . . . A 85 ASP C . 30097 1 1038 . 1 1 85 85 ASP CA C 13 54.259 0.200 . . . . . A 85 ASP CA . 30097 1 1039 . 1 1 85 85 ASP CB C 13 41.021 0.200 . . . . . A 85 ASP CB . 30097 1 1040 . 1 1 85 85 ASP N N 15 121.376 0.200 . . . . . A 85 ASP N . 30097 1 1041 . 1 1 86 86 LEU H H 1 8.213 0.200 . . . . . A 86 LEU H . 30097 1 1042 . 1 1 86 86 LEU HA H 1 4.161 0.200 . . . . . A 86 LEU HA . 30097 1 1043 . 1 1 86 86 LEU HB2 H 1 1.700 0.200 . . . . . A 86 LEU HB2 . 30097 1 1044 . 1 1 86 86 LEU HB3 H 1 1.591 0.200 . . . . . A 86 LEU HB3 . 30097 1 1045 . 1 1 86 86 LEU HG H 1 1.691 0.200 . . . . . A 86 LEU HG . 30097 1 1046 . 1 1 86 86 LEU HD11 H 1 0.938 0.200 . . . . . A 86 LEU HD11 . 30097 1 1047 . 1 1 86 86 LEU HD12 H 1 0.938 0.200 . . . . . A 86 LEU HD12 . 30097 1 1048 . 1 1 86 86 LEU HD13 H 1 0.938 0.200 . . . . . A 86 LEU HD13 . 30097 1 1049 . 1 1 86 86 LEU HD21 H 1 0.871 0.200 . . . . . A 86 LEU HD21 . 30097 1 1050 . 1 1 86 86 LEU HD22 H 1 0.871 0.200 . . . . . A 86 LEU HD22 . 30097 1 1051 . 1 1 86 86 LEU HD23 H 1 0.871 0.200 . . . . . A 86 LEU HD23 . 30097 1 1052 . 1 1 86 86 LEU C C 13 178.577 0.200 . . . . . A 86 LEU C . 30097 1 1053 . 1 1 86 86 LEU CA C 13 56.467 0.200 . . . . . A 86 LEU CA . 30097 1 1054 . 1 1 86 86 LEU CB C 13 42.171 0.200 . . . . . A 86 LEU CB . 30097 1 1055 . 1 1 86 86 LEU CG C 13 27.013 0.200 . . . . . A 86 LEU CG . 30097 1 1056 . 1 1 86 86 LEU CD1 C 13 25.056 0.200 . . . . . A 86 LEU CD1 . 30097 1 1057 . 1 1 86 86 LEU CD2 C 13 23.400 0.200 . . . . . A 86 LEU CD2 . 30097 1 1058 . 1 1 86 86 LEU N N 15 123.175 0.200 . . . . . A 86 LEU N . 30097 1 1059 . 1 1 87 87 GLU H H 1 8.333 0.200 . . . . . A 87 GLU H . 30097 1 1060 . 1 1 87 87 GLU HA H 1 4.177 0.200 . . . . . A 87 GLU HA . 30097 1 1061 . 1 1 87 87 GLU HB2 H 1 2.071 0.200 . . . . . A 87 GLU HB2 . 30097 1 1062 . 1 1 87 87 GLU HB3 H 1 1.994 0.200 . . . . . A 87 GLU HB3 . 30097 1 1063 . 1 1 87 87 GLU HG2 H 1 2.306 0.200 . . . . . A 87 GLU HG2 . 30097 1 1064 . 1 1 87 87 GLU HG3 H 1 2.231 0.200 . . . . . A 87 GLU HG3 . 30097 1 1065 . 1 1 87 87 GLU C C 13 177.177 0.200 . . . . . A 87 GLU C . 30097 1 1066 . 1 1 87 87 GLU CA C 13 57.487 0.200 . . . . . A 87 GLU CA . 30097 1 1067 . 1 1 87 87 GLU CB C 13 29.691 0.200 . . . . . A 87 GLU CB . 30097 1 1068 . 1 1 87 87 GLU CG C 13 36.334 0.200 . . . . . A 87 GLU CG . 30097 1 1069 . 1 1 87 87 GLU N N 15 120.081 0.200 . . . . . A 87 GLU N . 30097 1 1070 . 1 1 88 88 ALA H H 1 7.955 0.020 . . . . . A 88 ALA H . 30097 1 1071 . 1 1 88 88 ALA HA H 1 4.203 0.020 . . . . . A 88 ALA HA . 30097 1 1072 . 1 1 88 88 ALA HB1 H 1 1.398 0.020 . . . . . A 88 ALA HB1 . 30097 1 1073 . 1 1 88 88 ALA HB2 H 1 1.398 0.020 . . . . . A 88 ALA HB2 . 30097 1 1074 . 1 1 88 88 ALA HB3 H 1 1.398 0.020 . . . . . A 88 ALA HB3 . 30097 1 1075 . 1 1 88 88 ALA C C 13 178.522 0.200 . . . . . A 88 ALA C . 30097 1 1076 . 1 1 88 88 ALA CA C 13 53.272 0.020 . . . . . A 88 ALA CA . 30097 1 1077 . 1 1 88 88 ALA CB C 13 18.908 0.020 . . . . . A 88 ALA CB . 30097 1 1078 . 1 1 88 88 ALA N N 15 123.380 0.020 . . . . . A 88 ALA N . 30097 1 1079 . 1 1 89 89 GLN H H 1 8.080 0.020 . . . . . A 89 GLN H . 30097 1 1080 . 1 1 89 89 GLN HA H 1 4.202 0.020 . . . . . A 89 GLN HA . 30097 1 1081 . 1 1 89 89 GLN HB2 H 1 2.116 0.020 . . . . . A 89 GLN HB2 . 30097 1 1082 . 1 1 89 89 GLN HB3 H 1 1.997 0.020 . . . . . A 89 GLN HB3 . 30097 1 1083 . 1 1 89 89 GLN HG2 H 1 2.388 0.020 . . . . . A 89 GLN HG2 . 30097 1 1084 . 1 1 89 89 GLN HG3 H 1 2.388 0.020 . . . . . A 89 GLN HG3 . 30097 1 1085 . 1 1 89 89 GLN C C 13 176.183 0.020 . . . . . A 89 GLN C . 30097 1 1086 . 1 1 89 89 GLN CA C 13 56.240 0.020 . . . . . A 89 GLN CA . 30097 1 1087 . 1 1 89 89 GLN CB C 13 29.186 0.020 . . . . . A 89 GLN CB . 30097 1 1088 . 1 1 89 89 GLN N N 15 118.212 0.020 . . . . . A 89 GLN N . 30097 1 1089 . 1 1 90 90 ALA H H 1 8.101 0.020 . . . . . A 90 ALA H . 30097 1 1090 . 1 1 90 90 ALA HA H 1 4.260 0.020 . . . . . A 90 ALA HA . 30097 1 1091 . 1 1 90 90 ALA HB1 H 1 1.399 0.020 . . . . . A 90 ALA HB1 . 30097 1 1092 . 1 1 90 90 ALA HB2 H 1 1.399 0.020 . . . . . A 90 ALA HB2 . 30097 1 1093 . 1 1 90 90 ALA HB3 H 1 1.399 0.020 . . . . . A 90 ALA HB3 . 30097 1 1094 . 1 1 90 90 ALA C C 13 177.879 0.020 . . . . . A 90 ALA C . 30097 1 1095 . 1 1 90 90 ALA CA C 13 52.892 0.020 . . . . . A 90 ALA CA . 30097 1 1096 . 1 1 90 90 ALA CB C 13 18.989 0.020 . . . . . A 90 ALA CB . 30097 1 1097 . 1 1 90 90 ALA N N 15 124.187 0.020 . . . . . A 90 ALA N . 30097 1 1098 . 1 1 91 91 LYS H H 1 8.095 0.020 . . . . . A 91 LYS H . 30097 1 1099 . 1 1 91 91 LYS HA H 1 4.297 0.020 . . . . . A 91 LYS HA . 30097 1 1100 . 1 1 91 91 LYS HB2 H 1 1.839 0.020 . . . . . A 91 LYS HB2 . 30097 1 1101 . 1 1 91 91 LYS HB3 H 1 1.762 0.020 . . . . . A 91 LYS HB3 . 30097 1 1102 . 1 1 91 91 LYS HG2 H 1 1.462 0.020 . . . . . A 91 LYS HG2 . 30097 1 1103 . 1 1 91 91 LYS HG3 H 1 1.395 0.020 . . . . . A 91 LYS HG3 . 30097 1 1104 . 1 1 91 91 LYS HD2 H 1 1.683 0.020 . . . . . A 91 LYS HD2 . 30097 1 1105 . 1 1 91 91 LYS HD3 H 1 1.683 0.020 . . . . . A 91 LYS HD3 . 30097 1 1106 . 1 1 91 91 LYS C C 13 176.713 0.020 . . . . . A 91 LYS C . 30097 1 1107 . 1 1 91 91 LYS CA C 13 56.420 0.020 . . . . . A 91 LYS CA . 30097 1 1108 . 1 1 91 91 LYS CB C 13 32.967 0.020 . . . . . A 91 LYS CB . 30097 1 1109 . 1 1 91 91 LYS CG C 13 24.742 0.020 . . . . . A 91 LYS CG . 30097 1 1110 . 1 1 91 91 LYS CD C 13 29.078 0.020 . . . . . A 91 LYS CD . 30097 1 1111 . 1 1 91 91 LYS N N 15 120.445 0.020 . . . . . A 91 LYS N . 30097 1 1112 . 1 1 92 92 ILE H H 1 8.108 0.020 . . . . . A 92 ILE H . 30097 1 1113 . 1 1 92 92 ILE HA H 1 4.120 0.020 . . . . . A 92 ILE HA . 30097 1 1114 . 1 1 92 92 ILE HB H 1 1.878 0.020 . . . . . A 92 ILE HB . 30097 1 1115 . 1 1 92 92 ILE HG12 H 1 1.500 0.020 . . . . . A 92 ILE HG12 . 30097 1 1116 . 1 1 92 92 ILE HG13 H 1 1.194 0.020 . . . . . A 92 ILE HG13 . 30097 1 1117 . 1 1 92 92 ILE HG21 H 1 0.902 0.020 . . . . . A 92 ILE HG21 . 30097 1 1118 . 1 1 92 92 ILE HG22 H 1 0.902 0.020 . . . . . A 92 ILE HG22 . 30097 1 1119 . 1 1 92 92 ILE HG23 H 1 0.902 0.020 . . . . . A 92 ILE HG23 . 30097 1 1120 . 1 1 92 92 ILE HD11 H 1 0.851 0.020 . . . . . A 92 ILE HD11 . 30097 1 1121 . 1 1 92 92 ILE HD12 H 1 0.851 0.020 . . . . . A 92 ILE HD12 . 30097 1 1122 . 1 1 92 92 ILE HD13 H 1 0.851 0.020 . . . . . A 92 ILE HD13 . 30097 1 1123 . 1 1 92 92 ILE C C 13 176.475 0.020 . . . . . A 92 ILE C . 30097 1 1124 . 1 1 92 92 ILE CA C 13 61.523 0.020 . . . . . A 92 ILE CA . 30097 1 1125 . 1 1 92 92 ILE CB C 13 38.578 0.020 . . . . . A 92 ILE CB . 30097 1 1126 . 1 1 92 92 ILE CG1 C 13 27.483 0.020 . . . . . A 92 ILE CG1 . 30097 1 1127 . 1 1 92 92 ILE N N 15 122.531 0.020 . . . . . A 92 ILE N . 30097 1 1128 . 1 1 93 93 GLU H H 1 8.409 0.020 . . . . . A 93 GLU H . 30097 1 1129 . 1 1 93 93 GLU HA H 1 4.283 0.020 . . . . . A 93 GLU HA . 30097 1 1130 . 1 1 93 93 GLU HB2 H 1 2.046 0.020 . . . . . A 93 GLU HB2 . 30097 1 1131 . 1 1 93 93 GLU HB3 H 1 1.934 0.020 . . . . . A 93 GLU HB3 . 30097 1 1132 . 1 1 93 93 GLU HG2 H 1 2.299 0.020 . . . . . A 93 GLU HG2 . 30097 1 1133 . 1 1 93 93 GLU HG3 H 1 2.242 0.020 . . . . . A 93 GLU HG3 . 30097 1 1134 . 1 1 93 93 GLU C C 13 176.447 0.020 . . . . . A 93 GLU C . 30097 1 1135 . 1 1 93 93 GLU CA C 13 56.663 0.020 . . . . . A 93 GLU CA . 30097 1 1136 . 1 1 93 93 GLU CB C 13 30.263 0.020 . . . . . A 93 GLU CB . 30097 1 1137 . 1 1 93 93 GLU N N 15 124.414 0.020 . . . . . A 93 GLU N . 30097 1 1138 . 1 1 94 94 GLU H H 1 8.327 0.020 . . . . . A 94 GLU H . 30097 1 1139 . 1 1 94 94 GLU HA H 1 4.234 0.020 . . . . . A 94 GLU HA . 30097 1 1140 . 1 1 94 94 GLU HB2 H 1 2.035 0.020 . . . . . A 94 GLU HB2 . 30097 1 1141 . 1 1 94 94 GLU HB3 H 1 1.937 0.020 . . . . . A 94 GLU HB3 . 30097 1 1142 . 1 1 94 94 GLU C C 13 176.180 0.020 . . . . . A 94 GLU C . 30097 1 1143 . 1 1 94 94 GLU CA C 13 56.778 0.020 . . . . . A 94 GLU CA . 30097 1 1144 . 1 1 94 94 GLU CB C 13 30.559 0.020 . . . . . A 94 GLU CB . 30097 1 1145 . 1 1 94 94 GLU N N 15 121.705 0.020 . . . . . A 94 GLU N . 30097 1 1146 . 1 1 95 95 ASP H H 1 8.383 0.020 . . . . . A 95 ASP H . 30097 1 1147 . 1 1 95 95 ASP HA H 1 4.606 0.020 . . . . . A 95 ASP HA . 30097 1 1148 . 1 1 95 95 ASP HB2 H 1 2.717 0.020 . . . . . A 95 ASP HB2 . 30097 1 1149 . 1 1 95 95 ASP HB3 H 1 2.590 0.020 . . . . . A 95 ASP HB3 . 30097 1 1150 . 1 1 95 95 ASP C C 13 176.137 0.020 . . . . . A 95 ASP C . 30097 1 1151 . 1 1 95 95 ASP CA C 13 54.416 0.020 . . . . . A 95 ASP CA . 30097 1 1152 . 1 1 95 95 ASP CB C 13 41.076 0.020 . . . . . A 95 ASP CB . 30097 1 1153 . 1 1 95 95 ASP N N 15 121.611 0.020 . . . . . A 95 ASP N . 30097 1 1154 . 1 1 96 96 ILE H H 1 8.040 0.020 . . . . . A 96 ILE H . 30097 1 1155 . 1 1 96 96 ILE HA H 1 4.167 0.020 . . . . . A 96 ILE HA . 30097 1 1156 . 1 1 96 96 ILE HB H 1 1.885 0.020 . . . . . A 96 ILE HB . 30097 1 1157 . 1 1 96 96 ILE HG12 H 1 1.456 0.020 . . . . . A 96 ILE HG12 . 30097 1 1158 . 1 1 96 96 ILE HG13 H 1 1.199 0.020 . . . . . A 96 ILE HG13 . 30097 1 1159 . 1 1 96 96 ILE HG21 H 1 0.900 0.020 . . . . . A 96 ILE HG21 . 30097 1 1160 . 1 1 96 96 ILE HG22 H 1 0.900 0.020 . . . . . A 96 ILE HG22 . 30097 1 1161 . 1 1 96 96 ILE HG23 H 1 0.900 0.020 . . . . . A 96 ILE HG23 . 30097 1 1162 . 1 1 96 96 ILE HD11 H 1 0.852 0.020 . . . . . A 96 ILE HD11 . 30097 1 1163 . 1 1 96 96 ILE HD12 H 1 0.852 0.020 . . . . . A 96 ILE HD12 . 30097 1 1164 . 1 1 96 96 ILE HD13 H 1 0.852 0.020 . . . . . A 96 ILE HD13 . 30097 1 1165 . 1 1 96 96 ILE C C 13 176.203 0.020 . . . . . A 96 ILE C . 30097 1 1166 . 1 1 96 96 ILE CA C 13 61.254 0.020 . . . . . A 96 ILE CA . 30097 1 1167 . 1 1 96 96 ILE CB C 13 38.467 0.020 . . . . . A 96 ILE CB . 30097 1 1168 . 1 1 96 96 ILE CG1 C 13 27.255 0.020 . . . . . A 96 ILE CG1 . 30097 1 1169 . 1 1 96 96 ILE CG2 C 13 17.553 0.020 . . . . . A 96 ILE CG2 . 30097 1 1170 . 1 1 96 96 ILE CD1 C 13 12.976 0.020 . . . . . A 96 ILE CD1 . 30097 1 1171 . 1 1 96 96 ILE N N 15 120.966 0.020 . . . . . A 96 ILE N . 30097 1 1172 . 1 1 97 97 ARG H H 1 8.339 0.020 . . . . . A 97 ARG H . 30097 1 1173 . 1 1 97 97 ARG HA H 1 4.378 0.020 . . . . . A 97 ARG HA . 30097 1 1174 . 1 1 97 97 ARG HB2 H 1 1.874 0.020 . . . . . A 97 ARG HB2 . 30097 1 1175 . 1 1 97 97 ARG HB3 H 1 1.774 0.020 . . . . . A 97 ARG HB3 . 30097 1 1176 . 1 1 97 97 ARG HG2 H 1 1.640 0.020 . . . . . A 97 ARG HG2 . 30097 1 1177 . 1 1 97 97 ARG HG3 H 1 1.640 0.020 . . . . . A 97 ARG HG3 . 30097 1 1178 . 1 1 97 97 ARG HD2 H 1 3.113 0.020 . . . . . A 97 ARG HD2 . 30097 1 1179 . 1 1 97 97 ARG HD3 H 1 3.113 0.020 . . . . . A 97 ARG HD3 . 30097 1 1180 . 1 1 97 97 ARG C C 13 175.400 0.020 . . . . . A 97 ARG C . 30097 1 1181 . 1 1 97 97 ARG CA C 13 56.025 0.020 . . . . . A 97 ARG CA . 30097 1 1182 . 1 1 97 97 ARG CB C 13 30.695 0.020 . . . . . A 97 ARG CB . 30097 1 1183 . 1 1 97 97 ARG CG C 13 27.098 0.020 . . . . . A 97 ARG CG . 30097 1 1184 . 1 1 97 97 ARG CD C 13 43.562 0.020 . . . . . A 97 ARG CD . 30097 1 1185 . 1 1 97 97 ARG N N 15 125.797 0.020 . . . . . A 97 ARG N . 30097 1 1186 . 1 1 98 98 GLN H H 1 8.015 0.020 . . . . . A 98 GLN H . 30097 1 1187 . 1 1 98 98 GLN C C 13 175.400 0.020 . . . . . A 98 GLN C . 30097 1 1188 . 1 1 98 98 GLN CA C 13 57.396 0.020 . . . . . A 98 GLN CA . 30097 1 1189 . 1 1 98 98 GLN CB C 13 30.525 0.020 . . . . . A 98 GLN CB . 30097 1 1190 . 1 1 98 98 GLN N N 15 126.855 0.020 . . . . . A 98 GLN N . 30097 1 stop_ save_