data_34010 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34010 _Entry.Title ; S-nitrosylated 3D NMR structure of the cytoplasmic rhodanese domain of the inner membrane protein YgaP from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-14 _Entry.Accession_date 2016-06-14 _Entry.Last_release_date 2016-08-15 _Entry.Original_release_date 2016-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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 C. Eichmann C. . . . 34010 2 C. Tzitzilonis C. . . . 34010 3 T. Nakamura T. . . . 34010 4 I. Maslennikov I. . . . 34010 5 W. Kwiatkowski W. . . . 34010 6 S. Choe S. . . . 34010 7 S. Lipton S. A. . . 34010 8 P. Guntert P. . . . 34010 9 R. Riek R. . . . 34010 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 34010 'S-nitrosylated rhodanese domain of YgaP' . 34010 'membrane protein' . 34010 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34010 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 34010 '1H chemical shifts' 654 34010 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-02-21 2016-06-14 update BMRB 'update entry citation' 34010 1 . . 2016-08-15 2016-06-14 original author 'original release' 34010 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LAO 'BMRB Entry Tracking System' 34010 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34010 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.jmb.2016.07.010 _Citation.PubMed_ID 27473602 _Citation.Full_citation . _Citation.Title ; S-Nitrosylation Induces Structural and Dynamical Changes in a Rhodanese Family Protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 428 _Citation.Journal_issue 19 _Citation.Journal_ASTM JMOBAK _Citation.Journal_ISSN 1089-8638 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3737 _Citation.Page_last 3751 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Eichmann C. . . . 34010 1 2 C. Tzitzilonis C. . . . 34010 1 3 T. Nakamura T. . . . 34010 1 4 W. Kwiatkowski W. . . . 34010 1 5 I. Maslennikov I. . . . 34010 1 6 S. Choe S. . . . 34010 1 7 S. Lipton S. A. . . 34010 1 8 R. Riek R. . . . 34010 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34010 _Assembly.ID 1 _Assembly.Name 'Inner membrane protein YgaP' _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 . . . . . . 34010 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34010 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; ALTTISPHDAQELIARGAKL IDIRDADEYLREHIPEADLA PLSVLEQSGLPAKLRHEQII FHCQAGKRTSNNADKLAAIA APAEIFLLEDGIDGWKKAGL PVAVNKSQ ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11716.311 _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 . ALA . 34010 1 2 . LEU . 34010 1 3 . THR . 34010 1 4 . THR . 34010 1 5 . ILE . 34010 1 6 . SER . 34010 1 7 . PRO . 34010 1 8 . HIS . 34010 1 9 . ASP . 34010 1 10 . ALA . 34010 1 11 . GLN . 34010 1 12 . GLU . 34010 1 13 . LEU . 34010 1 14 . ILE . 34010 1 15 . ALA . 34010 1 16 . ARG . 34010 1 17 . GLY . 34010 1 18 . ALA . 34010 1 19 . LYS . 34010 1 20 . LEU . 34010 1 21 . ILE . 34010 1 22 . ASP . 34010 1 23 . ILE . 34010 1 24 . ARG . 34010 1 25 . ASP . 34010 1 26 . ALA . 34010 1 27 . ASP . 34010 1 28 . GLU . 34010 1 29 . TYR . 34010 1 30 . LEU . 34010 1 31 . ARG . 34010 1 32 . GLU . 34010 1 33 . HIS . 34010 1 34 . ILE . 34010 1 35 . PRO . 34010 1 36 . GLU . 34010 1 37 . ALA . 34010 1 38 . ASP . 34010 1 39 . LEU . 34010 1 40 . ALA . 34010 1 41 . PRO . 34010 1 42 . LEU . 34010 1 43 . SER . 34010 1 44 . VAL . 34010 1 45 . LEU . 34010 1 46 . GLU . 34010 1 47 . GLN . 34010 1 48 . SER . 34010 1 49 . GLY . 34010 1 50 . LEU . 34010 1 51 . PRO . 34010 1 52 . ALA . 34010 1 53 . LYS . 34010 1 54 . LEU . 34010 1 55 . ARG . 34010 1 56 . HIS . 34010 1 57 . GLU . 34010 1 58 . GLN . 34010 1 59 . ILE . 34010 1 60 . ILE . 34010 1 61 . PHE . 34010 1 62 . HIS . 34010 1 63 . CYS . 34010 1 64 . GLN . 34010 1 65 . ALA . 34010 1 66 . GLY . 34010 1 67 . LYS . 34010 1 68 . ARG . 34010 1 69 . THR . 34010 1 70 . SER . 34010 1 71 . ASN . 34010 1 72 . ASN . 34010 1 73 . ALA . 34010 1 74 . ASP . 34010 1 75 . LYS . 34010 1 76 . LEU . 34010 1 77 . ALA . 34010 1 78 . ALA . 34010 1 79 . ILE . 34010 1 80 . ALA . 34010 1 81 . ALA . 34010 1 82 . PRO . 34010 1 83 . ALA . 34010 1 84 . GLU . 34010 1 85 . ILE . 34010 1 86 . PHE . 34010 1 87 . LEU . 34010 1 88 . LEU . 34010 1 89 . GLU . 34010 1 90 . ASP . 34010 1 91 . GLY . 34010 1 92 . ILE . 34010 1 93 . ASP . 34010 1 94 . GLY . 34010 1 95 . TRP . 34010 1 96 . LYS . 34010 1 97 . LYS . 34010 1 98 . ALA . 34010 1 99 . GLY . 34010 1 100 . LEU . 34010 1 101 . PRO . 34010 1 102 . VAL . 34010 1 103 . ALA . 34010 1 104 . VAL . 34010 1 105 . ASN . 34010 1 106 . LYS . 34010 1 107 . SER . 34010 1 108 . GLN . 34010 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 34010 1 . LEU 2 2 34010 1 . THR 3 3 34010 1 . THR 4 4 34010 1 . ILE 5 5 34010 1 . SER 6 6 34010 1 . PRO 7 7 34010 1 . HIS 8 8 34010 1 . ASP 9 9 34010 1 . ALA 10 10 34010 1 . GLN 11 11 34010 1 . GLU 12 12 34010 1 . LEU 13 13 34010 1 . ILE 14 14 34010 1 . ALA 15 15 34010 1 . ARG 16 16 34010 1 . GLY 17 17 34010 1 . ALA 18 18 34010 1 . LYS 19 19 34010 1 . LEU 20 20 34010 1 . ILE 21 21 34010 1 . ASP 22 22 34010 1 . ILE 23 23 34010 1 . ARG 24 24 34010 1 . ASP 25 25 34010 1 . ALA 26 26 34010 1 . ASP 27 27 34010 1 . GLU 28 28 34010 1 . TYR 29 29 34010 1 . LEU 30 30 34010 1 . ARG 31 31 34010 1 . GLU 32 32 34010 1 . HIS 33 33 34010 1 . ILE 34 34 34010 1 . PRO 35 35 34010 1 . GLU 36 36 34010 1 . ALA 37 37 34010 1 . ASP 38 38 34010 1 . LEU 39 39 34010 1 . ALA 40 40 34010 1 . PRO 41 41 34010 1 . LEU 42 42 34010 1 . SER 43 43 34010 1 . VAL 44 44 34010 1 . LEU 45 45 34010 1 . GLU 46 46 34010 1 . GLN 47 47 34010 1 . SER 48 48 34010 1 . GLY 49 49 34010 1 . LEU 50 50 34010 1 . PRO 51 51 34010 1 . ALA 52 52 34010 1 . LYS 53 53 34010 1 . LEU 54 54 34010 1 . ARG 55 55 34010 1 . HIS 56 56 34010 1 . GLU 57 57 34010 1 . GLN 58 58 34010 1 . ILE 59 59 34010 1 . ILE 60 60 34010 1 . PHE 61 61 34010 1 . HIS 62 62 34010 1 . CYS 63 63 34010 1 . GLN 64 64 34010 1 . ALA 65 65 34010 1 . GLY 66 66 34010 1 . LYS 67 67 34010 1 . ARG 68 68 34010 1 . THR 69 69 34010 1 . SER 70 70 34010 1 . ASN 71 71 34010 1 . ASN 72 72 34010 1 . ALA 73 73 34010 1 . ASP 74 74 34010 1 . LYS 75 75 34010 1 . LEU 76 76 34010 1 . ALA 77 77 34010 1 . ALA 78 78 34010 1 . ILE 79 79 34010 1 . ALA 80 80 34010 1 . ALA 81 81 34010 1 . PRO 82 82 34010 1 . ALA 83 83 34010 1 . GLU 84 84 34010 1 . ILE 85 85 34010 1 . PHE 86 86 34010 1 . LEU 87 87 34010 1 . LEU 88 88 34010 1 . GLU 89 89 34010 1 . ASP 90 90 34010 1 . GLY 91 91 34010 1 . ILE 92 92 34010 1 . ASP 93 93 34010 1 . GLY 94 94 34010 1 . TRP 95 95 34010 1 . LYS 96 96 34010 1 . LYS 97 97 34010 1 . ALA 98 98 34010 1 . GLY 99 99 34010 1 . LEU 100 100 34010 1 . PRO 101 101 34010 1 . VAL 102 102 34010 1 . ALA 103 103 34010 1 . VAL 104 104 34010 1 . ASN 105 105 34010 1 . LYS 106 106 34010 1 . SER 107 107 34010 1 . GLN 108 108 34010 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 34010 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . 'ygaP, b2668, JW2643' . 34010 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 34010 _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 BL21(DE3)' . . 469008 . . . PlysS . . . . . . . . 34010 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34010 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] S-nitrosylated rhodanese domain, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'S-nitrosylated rhodanese domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34010 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 34010 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 34010 1 pH 7 . pH 34010 1 pressure 1 . atm 34010 1 temperature 303 . K 34010 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34010 _Software.ID 1 _Software.Name CYANA _Software.Version 3.97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34010 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34010 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34010 _Software.ID 2 _Software.Name OPAL _Software.Version 3.97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 34010 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34010 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34010 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 34010 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34010 3 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 34010 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34010 _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 . 700 . . . 34010 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 34010 _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 NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34010 1 2 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34010 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34010 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34010 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34010 1 6 '2D TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34010 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 34010 _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 . . . . . 34010 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34010 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34010 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 34010 _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 NOESY . . . 34010 1 2 '3D HCCH-TOCSY' . . . 34010 1 3 '3D 1H-15N TOCSY' . . . 34010 1 4 '3D HNCACB' . . . 34010 1 5 '3D HN(CO)CA' . . . 34010 1 6 '2D TROSY' . . . 34010 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 3 $software_3 . . 34010 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 1 1 ALA H H 1 8.144 0.003 . . . . . . 1 ALA H . 34010 1 2 . 1 1 1 1 ALA HA H 1 4.245 0.002 . . . . . . 1 ALA HA . 34010 1 3 . 1 1 1 1 ALA HB1 H 1 1.327 0.000 . . . . . . 1 ALA HB1 . 34010 1 4 . 1 1 1 1 ALA HB2 H 1 1.327 0.000 . . . . . . 1 ALA HB2 . 34010 1 5 . 1 1 1 1 ALA HB3 H 1 1.327 0.000 . . . . . . 1 ALA HB3 . 34010 1 6 . 1 1 1 1 ALA CA C 13 51.808 0.104 . . . . . . 1 ALA CA . 34010 1 7 . 1 1 1 1 ALA CB C 13 18.643 0.000 . . . . . . 1 ALA CB . 34010 1 8 . 1 1 2 2 LEU H H 1 7.890 0.000 . . . . . . 2 LEU H . 34010 1 9 . 1 1 2 2 LEU HA H 1 4.474 0.004 . . . . . . 2 LEU HA . 34010 1 10 . 1 1 2 2 LEU HB2 H 1 1.544 0.004 . . . . . . 2 LEU HB2 . 34010 1 11 . 1 1 2 2 LEU HB3 H 1 1.436 0.004 . . . . . . 2 LEU HB3 . 34010 1 12 . 1 1 2 2 LEU HG H 1 1.583 0.004 . . . . . . 2 LEU HG . 34010 1 13 . 1 1 2 2 LEU HD11 H 1 0.790 0.003 . . . . . . 2 LEU HD11 . 34010 1 14 . 1 1 2 2 LEU HD12 H 1 0.790 0.003 . . . . . . 2 LEU HD12 . 34010 1 15 . 1 1 2 2 LEU HD13 H 1 0.790 0.003 . . . . . . 2 LEU HD13 . 34010 1 16 . 1 1 2 2 LEU HD21 H 1 0.712 0.002 . . . . . . 2 LEU HD21 . 34010 1 17 . 1 1 2 2 LEU HD22 H 1 0.712 0.002 . . . . . . 2 LEU HD22 . 34010 1 18 . 1 1 2 2 LEU HD23 H 1 0.712 0.002 . . . . . . 2 LEU HD23 . 34010 1 19 . 1 1 2 2 LEU CA C 13 53.827 0.000 . . . . . . 2 LEU CA . 34010 1 20 . 1 1 2 2 LEU CB C 13 42.229 0.000 . . . . . . 2 LEU CB . 34010 1 21 . 1 1 2 2 LEU CG C 13 26.419 0.000 . . . . . . 2 LEU CG . 34010 1 22 . 1 1 2 2 LEU CD1 C 13 22.925 0.000 . . . . . . 2 LEU CD1 . 34010 1 23 . 1 1 2 2 LEU CD2 C 13 22.925 0.000 . . . . . . 2 LEU CD2 . 34010 1 24 . 1 1 3 3 THR H H 1 7.947 0.000 . . . . . . 3 THR H . 34010 1 25 . 1 1 3 3 THR HA H 1 4.465 0.004 . . . . . . 3 THR HA . 34010 1 26 . 1 1 3 3 THR HB H 1 4.098 0.000 . . . . . . 3 THR HB . 34010 1 27 . 1 1 3 3 THR HG21 H 1 1.285 0.000 . . . . . . 3 THR HG21 . 34010 1 28 . 1 1 3 3 THR HG22 H 1 1.285 0.000 . . . . . . 3 THR HG22 . 34010 1 29 . 1 1 3 3 THR HG23 H 1 1.285 0.000 . . . . . . 3 THR HG23 . 34010 1 30 . 1 1 3 3 THR CA C 13 61.391 0.000 . . . . . . 3 THR CA . 34010 1 31 . 1 1 3 3 THR CB C 13 69.745 0.000 . . . . . . 3 THR CB . 34010 1 32 . 1 1 3 3 THR CG2 C 13 21.294 0.000 . . . . . . 3 THR CG2 . 34010 1 33 . 1 1 4 4 THR H H 1 8.516 0.003 . . . . . . 4 THR H . 34010 1 34 . 1 1 4 4 THR HA H 1 5.255 0.005 . . . . . . 4 THR HA . 34010 1 35 . 1 1 4 4 THR HB H 1 4.134 0.003 . . . . . . 4 THR HB . 34010 1 36 . 1 1 4 4 THR HG21 H 1 1.209 0.004 . . . . . . 4 THR HG21 . 34010 1 37 . 1 1 4 4 THR HG22 H 1 1.209 0.004 . . . . . . 4 THR HG22 . 34010 1 38 . 1 1 4 4 THR HG23 H 1 1.209 0.004 . . . . . . 4 THR HG23 . 34010 1 39 . 1 1 4 4 THR CA C 13 61.595 0.000 . . . . . . 4 THR CA . 34010 1 40 . 1 1 4 4 THR CB C 13 69.027 0.000 . . . . . . 4 THR CB . 34010 1 41 . 1 1 4 4 THR CG2 C 13 21.049 0.000 . . . . . . 4 THR CG2 . 34010 1 42 . 1 1 5 5 ILE H H 1 8.917 0.006 . . . . . . 5 ILE H . 34010 1 43 . 1 1 5 5 ILE HA H 1 4.974 0.000 . . . . . . 5 ILE HA . 34010 1 44 . 1 1 5 5 ILE HB H 1 1.822 0.005 . . . . . . 5 ILE HB . 34010 1 45 . 1 1 5 5 ILE HG12 H 1 1.578 0.006 . . . . . . 5 ILE HG12 . 34010 1 46 . 1 1 5 5 ILE HG13 H 1 1.158 0.006 . . . . . . 5 ILE HG13 . 34010 1 47 . 1 1 5 5 ILE HG21 H 1 0.843 0.001 . . . . . . 5 ILE HG21 . 34010 1 48 . 1 1 5 5 ILE HG22 H 1 0.843 0.001 . . . . . . 5 ILE HG22 . 34010 1 49 . 1 1 5 5 ILE HG23 H 1 0.843 0.001 . . . . . . 5 ILE HG23 . 34010 1 50 . 1 1 5 5 ILE HD11 H 1 0.338 0.000 . . . . . . 5 ILE HD11 . 34010 1 51 . 1 1 5 5 ILE HD12 H 1 0.338 0.000 . . . . . . 5 ILE HD12 . 34010 1 52 . 1 1 5 5 ILE HD13 H 1 0.338 0.000 . . . . . . 5 ILE HD13 . 34010 1 53 . 1 1 5 5 ILE CA C 13 58.098 0.000 . . . . . . 5 ILE CA . 34010 1 54 . 1 1 5 5 ILE CB C 13 42.520 0.077 . . . . . . 5 ILE CB . 34010 1 55 . 1 1 5 5 ILE CG1 C 13 28.515 0.000 . . . . . . 5 ILE CG1 . 34010 1 56 . 1 1 5 5 ILE CG2 C 13 17.334 0.000 . . . . . . 5 ILE CG2 . 34010 1 57 . 1 1 5 5 ILE CD1 C 13 14.306 0.000 . . . . . . 5 ILE CD1 . 34010 1 58 . 1 1 7 7 PRO HA H 1 3.997 0.004 . . . . . . 7 PRO HA . 34010 1 59 . 1 1 7 7 PRO HB2 H 1 2.308 0.000 . . . . . . 7 PRO HB2 . 34010 1 60 . 1 1 7 7 PRO HB3 H 1 1.962 0.000 . . . . . . 7 PRO HB3 . 34010 1 61 . 1 1 7 7 PRO HG2 H 1 2.110 0.005 . . . . . . 7 PRO HG2 . 34010 1 62 . 1 1 7 7 PRO HG3 H 1 1.651 0.002 . . . . . . 7 PRO HG3 . 34010 1 63 . 1 1 7 7 PRO HD2 H 1 3.945 0.006 . . . . . . 7 PRO HD2 . 34010 1 64 . 1 1 7 7 PRO HD3 H 1 3.779 0.005 . . . . . . 7 PRO HD3 . 34010 1 65 . 1 1 7 7 PRO CA C 13 65.552 0.000 . . . . . . 7 PRO CA . 34010 1 66 . 1 1 7 7 PRO CG C 13 27.097 0.074 . . . . . . 7 PRO CG . 34010 1 67 . 1 1 7 7 PRO CD C 13 51.110 0.000 . . . . . . 7 PRO CD . 34010 1 68 . 1 1 8 8 HIS H H 1 8.111 0.002 . . . . . . 8 HIS H . 34010 1 69 . 1 1 8 8 HIS HA H 1 4.052 0.000 . . . . . . 8 HIS HA . 34010 1 70 . 1 1 8 8 HIS HB2 H 1 3.026 0.004 . . . . . . 8 HIS HB2 . 34010 1 71 . 1 1 8 8 HIS HB3 H 1 2.967 0.004 . . . . . . 8 HIS HB3 . 34010 1 72 . 1 1 8 8 HIS CB C 13 28.737 0.037 . . . . . . 8 HIS CB . 34010 1 73 . 1 1 9 9 ASP H H 1 7.633 0.000 . . . . . . 9 ASP H . 34010 1 74 . 1 1 9 9 ASP HA H 1 4.339 0.000 . . . . . . 9 ASP HA . 34010 1 75 . 1 1 9 9 ASP HB2 H 1 2.846 0.001 . . . . . . 9 ASP HB2 . 34010 1 76 . 1 1 9 9 ASP HB3 H 1 2.478 0.000 . . . . . . 9 ASP HB3 . 34010 1 77 . 1 1 9 9 ASP CA C 13 56.465 0.005 . . . . . . 9 ASP CA . 34010 1 78 . 1 1 9 9 ASP CB C 13 39.230 0.000 . . . . . . 9 ASP CB . 34010 1 79 . 1 1 10 10 ALA H H 1 8.818 0.007 . . . . . . 10 ALA H . 34010 1 80 . 1 1 10 10 ALA HA H 1 3.757 0.000 . . . . . . 10 ALA HA . 34010 1 81 . 1 1 10 10 ALA HB1 H 1 1.506 0.006 . . . . . . 10 ALA HB1 . 34010 1 82 . 1 1 10 10 ALA HB2 H 1 1.506 0.006 . . . . . . 10 ALA HB2 . 34010 1 83 . 1 1 10 10 ALA HB3 H 1 1.506 0.006 . . . . . . 10 ALA HB3 . 34010 1 84 . 1 1 10 10 ALA CA C 13 54.331 0.000 . . . . . . 10 ALA CA . 34010 1 85 . 1 1 10 10 ALA CB C 13 17.549 0.000 . . . . . . 10 ALA CB . 34010 1 86 . 1 1 11 11 GLN H H 1 8.343 0.003 . . . . . . 11 GLN H . 34010 1 87 . 1 1 11 11 GLN HA H 1 3.990 0.002 . . . . . . 11 GLN HA . 34010 1 88 . 1 1 11 11 GLN HB2 H 1 2.112 0.000 . . . . . . 11 GLN HB2 . 34010 1 89 . 1 1 11 11 GLN HB3 H 1 2.002 0.000 . . . . . . 11 GLN HB3 . 34010 1 90 . 1 1 11 11 GLN HG2 H 1 2.354 0.003 . . . . . . 11 GLN HG2 . 34010 1 91 . 1 1 11 11 GLN HG3 H 1 2.220 0.000 . . . . . . 11 GLN HG3 . 34010 1 92 . 1 1 11 11 GLN HE21 H 1 7.485 0.000 . . . . . . 11 GLN HE21 . 34010 1 93 . 1 1 11 11 GLN HE22 H 1 6.524 0.003 . . . . . . 11 GLN HE22 . 34010 1 94 . 1 1 11 11 GLN CA C 13 59.728 0.000 . . . . . . 11 GLN CA . 34010 1 95 . 1 1 11 11 GLN CB C 13 28.282 0.000 . . . . . . 11 GLN CB . 34010 1 96 . 1 1 11 11 GLN CG C 13 34.093 0.092 . . . . . . 11 GLN CG . 34010 1 97 . 1 1 12 12 GLU H H 1 7.234 0.000 . . . . . . 12 GLU H . 34010 1 98 . 1 1 12 12 GLU HA H 1 4.033 0.000 . . . . . . 12 GLU HA . 34010 1 99 . 1 1 12 12 GLU HB2 H 1 2.059 0.005 . . . . . . 12 GLU HB2 . 34010 1 100 . 1 1 12 12 GLU HB3 H 1 1.994 0.005 . . . . . . 12 GLU HB3 . 34010 1 101 . 1 1 12 12 GLU HG2 H 1 2.342 0.000 . . . . . . 12 GLU HG2 . 34010 1 102 . 1 1 12 12 GLU HG3 H 1 2.229 0.000 . . . . . . 12 GLU HG3 . 34010 1 103 . 1 1 12 12 GLU CA C 13 58.797 0.000 . . . . . . 12 GLU CA . 34010 1 104 . 1 1 12 12 GLU CB C 13 28.748 0.000 . . . . . . 12 GLU CB . 34010 1 105 . 1 1 12 12 GLU CG C 13 34.106 0.000 . . . . . . 12 GLU CG . 34010 1 106 . 1 1 13 13 LEU H H 1 7.577 0.003 . . . . . . 13 LEU H . 34010 1 107 . 1 1 13 13 LEU HA H 1 3.869 0.000 . . . . . . 13 LEU HA . 34010 1 108 . 1 1 13 13 LEU HB2 H 1 1.504 0.000 . . . . . . 13 LEU HB2 . 34010 1 109 . 1 1 13 13 LEU HB3 H 1 1.095 0.000 . . . . . . 13 LEU HB3 . 34010 1 110 . 1 1 13 13 LEU HG H 1 1.400 0.001 . . . . . . 13 LEU HG . 34010 1 111 . 1 1 13 13 LEU HD11 H 1 0.354 0.001 . . . . . . 13 LEU HD11 . 34010 1 112 . 1 1 13 13 LEU HD12 H 1 0.354 0.001 . . . . . . 13 LEU HD12 . 34010 1 113 . 1 1 13 13 LEU HD13 H 1 0.354 0.001 . . . . . . 13 LEU HD13 . 34010 1 114 . 1 1 13 13 LEU HD21 H 1 0.085 0.001 . . . . . . 13 LEU HD21 . 34010 1 115 . 1 1 13 13 LEU HD22 H 1 0.085 0.001 . . . . . . 13 LEU HD22 . 34010 1 116 . 1 1 13 13 LEU HD23 H 1 0.085 0.001 . . . . . . 13 LEU HD23 . 34010 1 117 . 1 1 13 13 LEU CA C 13 57.399 0.000 . . . . . . 13 LEU CA . 34010 1 118 . 1 1 13 13 LEU CB C 13 41.085 0.036 . . . . . . 13 LEU CB . 34010 1 119 . 1 1 13 13 LEU CG C 13 26.372 0.114 . . . . . . 13 LEU CG . 34010 1 120 . 1 1 13 13 LEU CD1 C 13 22.426 0.098 . . . . . . 13 LEU CD1 . 34010 1 121 . 1 1 13 13 LEU CD2 C 13 24.089 0.000 . . . . . . 13 LEU CD2 . 34010 1 122 . 1 1 14 14 ILE H H 1 8.747 0.000 . . . . . . 14 ILE H . 34010 1 123 . 1 1 14 14 ILE HA H 1 3.911 0.000 . . . . . . 14 ILE HA . 34010 1 124 . 1 1 14 14 ILE HB H 1 1.795 0.004 . . . . . . 14 ILE HB . 34010 1 125 . 1 1 14 14 ILE HG12 H 1 1.572 0.000 . . . . . . 14 ILE HG12 . 34010 1 126 . 1 1 14 14 ILE HG21 H 1 0.884 0.000 . . . . . . 14 ILE HG21 . 34010 1 127 . 1 1 14 14 ILE HG22 H 1 0.884 0.000 . . . . . . 14 ILE HG22 . 34010 1 128 . 1 1 14 14 ILE HG23 H 1 0.884 0.000 . . . . . . 14 ILE HG23 . 34010 1 129 . 1 1 14 14 ILE HD11 H 1 0.747 0.004 . . . . . . 14 ILE HD11 . 34010 1 130 . 1 1 14 14 ILE HD12 H 1 0.747 0.004 . . . . . . 14 ILE HD12 . 34010 1 131 . 1 1 14 14 ILE HD13 H 1 0.747 0.004 . . . . . . 14 ILE HD13 . 34010 1 132 . 1 1 14 14 ILE CA C 13 64.387 0.000 . . . . . . 14 ILE CA . 34010 1 133 . 1 1 14 14 ILE CB C 13 38.115 0.000 . . . . . . 14 ILE CB . 34010 1 134 . 1 1 14 14 ILE CG1 C 13 28.282 0.000 . . . . . . 14 ILE CG1 . 34010 1 135 . 1 1 14 14 ILE CG2 C 13 16.402 0.000 . . . . . . 14 ILE CG2 . 34010 1 136 . 1 1 14 14 ILE CD1 C 13 15.005 0.000 . . . . . . 14 ILE CD1 . 34010 1 137 . 1 1 15 15 ALA H H 1 7.776 0.006 . . . . . . 15 ALA H . 34010 1 138 . 1 1 15 15 ALA HA H 1 4.169 0.004 . . . . . . 15 ALA HA . 34010 1 139 . 1 1 15 15 ALA HB1 H 1 1.510 0.006 . . . . . . 15 ALA HB1 . 34010 1 140 . 1 1 15 15 ALA HB2 H 1 1.510 0.006 . . . . . . 15 ALA HB2 . 34010 1 141 . 1 1 15 15 ALA HB3 H 1 1.510 0.006 . . . . . . 15 ALA HB3 . 34010 1 142 . 1 1 15 15 ALA CA C 13 54.138 0.000 . . . . . . 15 ALA CA . 34010 1 143 . 1 1 15 15 ALA CB C 13 17.040 0.000 . . . . . . 15 ALA CB . 34010 1 144 . 1 1 16 16 ARG H H 1 7.267 0.002 . . . . . . 16 ARG H . 34010 1 145 . 1 1 16 16 ARG HA H 1 4.386 0.001 . . . . . . 16 ARG HA . 34010 1 146 . 1 1 16 16 ARG HB2 H 1 2.151 0.005 . . . . . . 16 ARG HB2 . 34010 1 147 . 1 1 16 16 ARG HB3 H 1 1.815 0.005 . . . . . . 16 ARG HB3 . 34010 1 148 . 1 1 16 16 ARG HG2 H 1 1.807 0.005 . . . . . . 16 ARG HG2 . 34010 1 149 . 1 1 16 16 ARG HG3 H 1 1.680 0.005 . . . . . . 16 ARG HG3 . 34010 1 150 . 1 1 16 16 ARG HD2 H 1 3.164 0.004 . . . . . . 16 ARG HD2 . 34010 1 151 . 1 1 16 16 ARG HD3 H 1 3.119 0.006 . . . . . . 16 ARG HD3 . 34010 1 152 . 1 1 16 16 ARG CA C 13 55.536 0.000 . . . . . . 16 ARG CA . 34010 1 153 . 1 1 16 16 ARG CB C 13 29.990 0.140 . . . . . . 16 ARG CB . 34010 1 154 . 1 1 16 16 ARG CG C 13 27.117 0.000 . . . . . . 16 ARG CG . 34010 1 155 . 1 1 16 16 ARG CD C 13 42.648 0.000 . . . . . . 16 ARG CD . 34010 1 156 . 1 1 17 17 GLY H H 1 7.762 0.000 . . . . . . 17 GLY H . 34010 1 157 . 1 1 17 17 GLY HA2 H 1 4.492 0.005 . . . . . . 17 GLY HA2 . 34010 1 158 . 1 1 17 17 GLY CA C 13 44.732 0.040 . . . . . . 17 GLY CA . 34010 1 159 . 1 1 18 18 ALA H H 1 7.989 0.000 . . . . . . 18 ALA H . 34010 1 160 . 1 1 18 18 ALA HA H 1 4.227 0.004 . . . . . . 18 ALA HA . 34010 1 161 . 1 1 18 18 ALA HB1 H 1 0.883 0.001 . . . . . . 18 ALA HB1 . 34010 1 162 . 1 1 18 18 ALA HB2 H 1 0.883 0.001 . . . . . . 18 ALA HB2 . 34010 1 163 . 1 1 18 18 ALA HB3 H 1 0.883 0.001 . . . . . . 18 ALA HB3 . 34010 1 164 . 1 1 18 18 ALA CA C 13 52.270 0.000 . . . . . . 18 ALA CA . 34010 1 165 . 1 1 18 18 ALA CB C 13 18.933 0.101 . . . . . . 18 ALA CB . 34010 1 166 . 1 1 19 19 LYS H H 1 7.638 0.000 . . . . . . 19 LYS H . 34010 1 167 . 1 1 19 19 LYS HA H 1 4.284 0.000 . . . . . . 19 LYS HA . 34010 1 168 . 1 1 19 19 LYS HB2 H 1 1.597 0.004 . . . . . . 19 LYS HB2 . 34010 1 169 . 1 1 19 19 LYS HB3 H 1 1.411 0.003 . . . . . . 19 LYS HB3 . 34010 1 170 . 1 1 19 19 LYS HG2 H 1 1.256 0.002 . . . . . . 19 LYS HG2 . 34010 1 171 . 1 1 19 19 LYS HD2 H 1 1.543 0.004 . . . . . . 19 LYS HD2 . 34010 1 172 . 1 1 19 19 LYS HE2 H 1 2.803 0.004 . . . . . . 19 LYS HE2 . 34010 1 173 . 1 1 19 19 LYS HE3 H 1 2.663 0.005 . . . . . . 19 LYS HE3 . 34010 1 174 . 1 1 19 19 LYS CA C 13 52.274 0.000 . . . . . . 19 LYS CA . 34010 1 175 . 1 1 19 19 LYS CB C 13 32.856 0.000 . . . . . . 19 LYS CB . 34010 1 176 . 1 1 19 19 LYS CG C 13 23.362 0.093 . . . . . . 19 LYS CG . 34010 1 177 . 1 1 19 19 LYS CD C 13 27.101 0.000 . . . . . . 19 LYS CD . 34010 1 178 . 1 1 19 19 LYS CE C 13 41.220 0.000 . . . . . . 19 LYS CE . 34010 1 179 . 1 1 20 20 LEU H H 1 8.765 0.000 . . . . . . 20 LEU H . 34010 1 180 . 1 1 20 20 LEU HA H 1 5.110 0.000 . . . . . . 20 LEU HA . 34010 1 181 . 1 1 20 20 LEU HB2 H 1 1.648 0.000 . . . . . . 20 LEU HB2 . 34010 1 182 . 1 1 20 20 LEU HB3 H 1 0.992 0.004 . . . . . . 20 LEU HB3 . 34010 1 183 . 1 1 20 20 LEU HG H 1 0.622 0.002 . . . . . . 20 LEU HG . 34010 1 184 . 1 1 20 20 LEU HD11 H 1 1.281 0.006 . . . . . . 20 LEU HD11 . 34010 1 185 . 1 1 20 20 LEU HD12 H 1 1.281 0.006 . . . . . . 20 LEU HD12 . 34010 1 186 . 1 1 20 20 LEU HD13 H 1 1.281 0.006 . . . . . . 20 LEU HD13 . 34010 1 187 . 1 1 20 20 LEU HD21 H 1 0.365 0.000 . . . . . . 20 LEU HD21 . 34010 1 188 . 1 1 20 20 LEU HD22 H 1 0.365 0.000 . . . . . . 20 LEU HD22 . 34010 1 189 . 1 1 20 20 LEU HD23 H 1 0.365 0.000 . . . . . . 20 LEU HD23 . 34010 1 190 . 1 1 20 20 LEU CA C 13 52.740 0.000 . . . . . . 20 LEU CA . 34010 1 191 . 1 1 20 20 LEU CB C 13 43.772 0.117 . . . . . . 20 LEU CB . 34010 1 192 . 1 1 20 20 LEU CG C 13 22.925 0.000 . . . . . . 20 LEU CG . 34010 1 193 . 1 1 20 20 LEU CD1 C 13 26.419 0.000 . . . . . . 20 LEU CD1 . 34010 1 194 . 1 1 20 20 LEU CD2 C 13 26.419 0.000 . . . . . . 20 LEU CD2 . 34010 1 195 . 1 1 21 21 ILE H H 1 9.314 0.000 . . . . . . 21 ILE H . 34010 1 196 . 1 1 21 21 ILE HA H 1 4.638 0.004 . . . . . . 21 ILE HA . 34010 1 197 . 1 1 21 21 ILE HB H 1 1.611 0.002 . . . . . . 21 ILE HB . 34010 1 198 . 1 1 21 21 ILE HG12 H 1 1.240 0.000 . . . . . . 21 ILE HG12 . 34010 1 199 . 1 1 21 21 ILE HG13 H 1 0.796 0.002 . . . . . . 21 ILE HG13 . 34010 1 200 . 1 1 21 21 ILE HG21 H 1 0.826 0.000 . . . . . . 21 ILE HG21 . 34010 1 201 . 1 1 21 21 ILE HG22 H 1 0.826 0.000 . . . . . . 21 ILE HG22 . 34010 1 202 . 1 1 21 21 ILE HG23 H 1 0.826 0.000 . . . . . . 21 ILE HG23 . 34010 1 203 . 1 1 21 21 ILE HD11 H 1 0.652 0.003 . . . . . . 21 ILE HD11 . 34010 1 204 . 1 1 21 21 ILE HD12 H 1 0.652 0.003 . . . . . . 21 ILE HD12 . 34010 1 205 . 1 1 21 21 ILE HD13 H 1 0.652 0.003 . . . . . . 21 ILE HD13 . 34010 1 206 . 1 1 21 21 ILE CA C 13 59.589 0.000 . . . . . . 21 ILE CA . 34010 1 207 . 1 1 21 21 ILE CB C 13 39.463 0.000 . . . . . . 21 ILE CB . 34010 1 208 . 1 1 21 21 ILE CG1 C 13 26.885 0.000 . . . . . . 21 ILE CG1 . 34010 1 209 . 1 1 21 21 ILE CG2 C 13 18.033 0.000 . . . . . . 21 ILE CG2 . 34010 1 210 . 1 1 21 21 ILE CD1 C 13 13.823 0.076 . . . . . . 21 ILE CD1 . 34010 1 211 . 1 1 22 22 ASP H H 1 8.661 0.000 . . . . . . 22 ASP H . 34010 1 212 . 1 1 22 22 ASP HA H 1 3.839 0.007 . . . . . . 22 ASP HA . 34010 1 213 . 1 1 22 22 ASP HB2 H 1 2.751 0.000 . . . . . . 22 ASP HB2 . 34010 1 214 . 1 1 22 22 ASP HB3 H 1 2.460 0.000 . . . . . . 22 ASP HB3 . 34010 1 215 . 1 1 22 22 ASP CA C 13 51.435 0.000 . . . . . . 22 ASP CA . 34010 1 216 . 1 1 22 22 ASP CB C 13 42.188 0.114 . . . . . . 22 ASP CB . 34010 1 217 . 1 1 23 23 ILE H H 1 7.832 0.003 . . . . . . 23 ILE H . 34010 1 218 . 1 1 23 23 ILE HA H 1 5.262 0.000 . . . . . . 23 ILE HA . 34010 1 219 . 1 1 23 23 ILE HB H 1 2.096 0.000 . . . . . . 23 ILE HB . 34010 1 220 . 1 1 23 23 ILE HG12 H 1 1.152 0.019 . . . . . . 23 ILE HG12 . 34010 1 221 . 1 1 23 23 ILE HG13 H 1 1.108 0.005 . . . . . . 23 ILE HG13 . 34010 1 222 . 1 1 23 23 ILE HG21 H 1 1.002 0.001 . . . . . . 23 ILE HG21 . 34010 1 223 . 1 1 23 23 ILE HG22 H 1 1.002 0.001 . . . . . . 23 ILE HG22 . 34010 1 224 . 1 1 23 23 ILE HG23 H 1 1.002 0.001 . . . . . . 23 ILE HG23 . 34010 1 225 . 1 1 23 23 ILE HD11 H 1 0.647 0.000 . . . . . . 23 ILE HD11 . 34010 1 226 . 1 1 23 23 ILE HD12 H 1 0.647 0.000 . . . . . . 23 ILE HD12 . 34010 1 227 . 1 1 23 23 ILE HD13 H 1 0.647 0.000 . . . . . . 23 ILE HD13 . 34010 1 228 . 1 1 23 23 ILE CA C 13 59.728 0.000 . . . . . . 23 ILE CA . 34010 1 229 . 1 1 23 23 ILE CB C 13 37.327 0.000 . . . . . . 23 ILE CB . 34010 1 230 . 1 1 23 23 ILE CG1 C 13 27.094 4.822 . . . . . . 23 ILE CG1 . 34010 1 231 . 1 1 23 23 ILE CG2 C 13 18.039 0.067 . . . . . . 23 ILE CG2 . 34010 1 232 . 1 1 23 23 ILE CD1 C 13 14.772 0.000 . . . . . . 23 ILE CD1 . 34010 1 233 . 1 1 24 24 ARG H H 1 8.172 0.000 . . . . . . 24 ARG H . 34010 1 234 . 1 1 24 24 ARG HA H 1 4.192 0.005 . . . . . . 24 ARG HA . 34010 1 235 . 1 1 24 24 ARG HB2 H 1 2.152 0.000 . . . . . . 24 ARG HB2 . 34010 1 236 . 1 1 24 24 ARG HB3 H 1 1.955 0.000 . . . . . . 24 ARG HB3 . 34010 1 237 . 1 1 24 24 ARG HG2 H 1 1.887 0.003 . . . . . . 24 ARG HG2 . 34010 1 238 . 1 1 24 24 ARG HG3 H 1 1.803 0.000 . . . . . . 24 ARG HG3 . 34010 1 239 . 1 1 24 24 ARG HE H 1 9.063 0.000 . . . . . . 24 ARG HE . 34010 1 240 . 1 1 24 24 ARG CA C 13 55.943 0.000 . . . . . . 24 ARG CA . 34010 1 241 . 1 1 24 24 ARG CB C 13 30.612 0.000 . . . . . . 24 ARG CB . 34010 1 242 . 1 1 24 24 ARG CG C 13 26.399 0.079 . . . . . . 24 ARG CG . 34010 1 243 . 1 1 25 25 ASP H H 1 7.690 0.000 . . . . . . 25 ASP H . 34010 1 244 . 1 1 25 25 ASP HA H 1 4.610 0.005 . . . . . . 25 ASP HA . 34010 1 245 . 1 1 25 25 ASP HB2 H 1 2.880 0.000 . . . . . . 25 ASP HB2 . 34010 1 246 . 1 1 25 25 ASP HB3 H 1 2.664 0.000 . . . . . . 25 ASP HB3 . 34010 1 247 . 1 1 25 25 ASP CA C 13 53.870 0.000 . . . . . . 25 ASP CA . 34010 1 248 . 1 1 25 25 ASP CB C 13 41.559 0.000 . . . . . . 25 ASP CB . 34010 1 249 . 1 1 26 26 ALA H H 1 8.752 0.001 . . . . . . 26 ALA H . 34010 1 250 . 1 1 26 26 ALA HA H 1 3.929 0.000 . . . . . . 26 ALA HA . 34010 1 251 . 1 1 26 26 ALA HB1 H 1 1.364 0.007 . . . . . . 26 ALA HB1 . 34010 1 252 . 1 1 26 26 ALA HB2 H 1 1.364 0.007 . . . . . . 26 ALA HB2 . 34010 1 253 . 1 1 26 26 ALA HB3 H 1 1.364 0.007 . . . . . . 26 ALA HB3 . 34010 1 254 . 1 1 26 26 ALA CA C 13 55.303 0.000 . . . . . . 26 ALA CA . 34010 1 255 . 1 1 26 26 ALA CB C 13 18.033 0.000 . . . . . . 26 ALA CB . 34010 1 256 . 1 1 27 27 ASP H H 1 8.699 0.000 . . . . . . 27 ASP H . 34010 1 257 . 1 1 27 27 ASP HA H 1 4.311 0.000 . . . . . . 27 ASP HA . 34010 1 258 . 1 1 27 27 ASP HB2 H 1 2.664 0.000 . . . . . . 27 ASP HB2 . 34010 1 259 . 1 1 27 27 ASP HB3 H 1 2.598 0.005 . . . . . . 27 ASP HB3 . 34010 1 260 . 1 1 27 27 ASP CA C 13 56.700 0.000 . . . . . . 27 ASP CA . 34010 1 261 . 1 1 27 27 ASP CB C 13 39.463 0.000 . . . . . . 27 ASP CB . 34010 1 262 . 1 1 28 28 GLU H H 1 7.433 0.004 . . . . . . 28 GLU H . 34010 1 263 . 1 1 28 28 GLU HA H 1 4.081 0.000 . . . . . . 28 GLU HA . 34010 1 264 . 1 1 28 28 GLU HB2 H 1 2.326 0.000 . . . . . . 28 GLU HB2 . 34010 1 265 . 1 1 28 28 GLU HB3 H 1 2.183 0.000 . . . . . . 28 GLU HB3 . 34010 1 266 . 1 1 28 28 GLU HG2 H 1 2.218 0.004 . . . . . . 28 GLU HG2 . 34010 1 267 . 1 1 28 28 GLU CA C 13 58.328 0.050 . . . . . . 28 GLU CA . 34010 1 268 . 1 1 28 28 GLU CB C 13 28.981 0.000 . . . . . . 28 GLU CB . 34010 1 269 . 1 1 28 28 GLU CG C 13 36.435 0.000 . . . . . . 28 GLU CG . 34010 1 270 . 1 1 29 29 TYR H H 1 7.537 0.003 . . . . . . 29 TYR H . 34010 1 271 . 1 1 29 29 TYR HA H 1 4.088 0.000 . . . . . . 29 TYR HA . 34010 1 272 . 1 1 29 29 TYR HB2 H 1 2.926 0.002 . . . . . . 29 TYR HB2 . 34010 1 273 . 1 1 29 29 TYR HB3 H 1 2.780 0.000 . . . . . . 29 TYR HB3 . 34010 1 274 . 1 1 29 29 TYR CB C 13 38.997 0.000 . . . . . . 29 TYR CB . 34010 1 275 . 1 1 30 30 LEU H H 1 8.252 0.003 . . . . . . 30 LEU H . 34010 1 276 . 1 1 30 30 LEU HA H 1 3.914 0.002 . . . . . . 30 LEU HA . 34010 1 277 . 1 1 30 30 LEU HB2 H 1 1.798 0.000 . . . . . . 30 LEU HB2 . 34010 1 278 . 1 1 30 30 LEU HB3 H 1 1.653 0.000 . . . . . . 30 LEU HB3 . 34010 1 279 . 1 1 30 30 LEU HG H 1 1.762 0.000 . . . . . . 30 LEU HG . 34010 1 280 . 1 1 30 30 LEU HD11 H 1 0.899 0.001 . . . . . . 30 LEU HD11 . 34010 1 281 . 1 1 30 30 LEU HD12 H 1 0.899 0.001 . . . . . . 30 LEU HD12 . 34010 1 282 . 1 1 30 30 LEU HD13 H 1 0.899 0.001 . . . . . . 30 LEU HD13 . 34010 1 283 . 1 1 30 30 LEU HD21 H 1 0.862 0.004 . . . . . . 30 LEU HD21 . 34010 1 284 . 1 1 30 30 LEU HD22 H 1 0.862 0.004 . . . . . . 30 LEU HD22 . 34010 1 285 . 1 1 30 30 LEU HD23 H 1 0.862 0.004 . . . . . . 30 LEU HD23 . 34010 1 286 . 1 1 30 30 LEU CA C 13 56.700 0.000 . . . . . . 30 LEU CA . 34010 1 287 . 1 1 30 30 LEU CB C 13 41.241 0.039 . . . . . . 30 LEU CB . 34010 1 288 . 1 1 30 30 LEU CG C 13 26.652 0.000 . . . . . . 30 LEU CG . 34010 1 289 . 1 1 30 30 LEU CD1 C 13 23.304 0.000 . . . . . . 30 LEU CD1 . 34010 1 290 . 1 1 30 30 LEU CD2 C 13 23.344 0.105 . . . . . . 30 LEU CD2 . 34010 1 291 . 1 1 31 31 ARG H H 1 7.133 0.000 . . . . . . 31 ARG H . 34010 1 292 . 1 1 31 31 ARG HA H 1 4.095 0.005 . . . . . . 31 ARG HA . 34010 1 293 . 1 1 31 31 ARG HB2 H 1 1.946 0.005 . . . . . . 31 ARG HB2 . 34010 1 294 . 1 1 31 31 ARG HG2 H 1 1.841 0.004 . . . . . . 31 ARG HG2 . 34010 1 295 . 1 1 31 31 ARG HG3 H 1 1.612 0.004 . . . . . . 31 ARG HG3 . 34010 1 296 . 1 1 31 31 ARG HD2 H 1 3.251 0.001 . . . . . . 31 ARG HD2 . 34010 1 297 . 1 1 31 31 ARG CA C 13 59.030 0.000 . . . . . . 31 ARG CA . 34010 1 298 . 1 1 31 31 ARG CB C 13 30.347 0.051 . . . . . . 31 ARG CB . 34010 1 299 . 1 1 31 31 ARG CG C 13 27.583 0.000 . . . . . . 31 ARG CG . 34010 1 300 . 1 1 31 31 ARG CD C 13 42.957 0.000 . . . . . . 31 ARG CD . 34010 1 301 . 1 1 32 32 GLU H H 1 7.535 0.000 . . . . . . 32 GLU H . 34010 1 302 . 1 1 32 32 GLU HA H 1 4.888 0.006 . . . . . . 32 GLU HA . 34010 1 303 . 1 1 32 32 GLU HB2 H 1 2.042 0.004 . . . . . . 32 GLU HB2 . 34010 1 304 . 1 1 32 32 GLU HB3 H 1 1.957 0.004 . . . . . . 32 GLU HB3 . 34010 1 305 . 1 1 32 32 GLU HG2 H 1 1.916 0.006 . . . . . . 32 GLU HG2 . 34010 1 306 . 1 1 32 32 GLU HG3 H 1 1.842 0.004 . . . . . . 32 GLU HG3 . 34010 1 307 . 1 1 32 32 GLU CA C 13 55.769 0.000 . . . . . . 32 GLU CA . 34010 1 308 . 1 1 32 32 GLU CB C 13 31.698 0.000 . . . . . . 32 GLU CB . 34010 1 309 . 1 1 32 32 GLU CG C 13 35.614 0.000 . . . . . . 32 GLU CG . 34010 1 310 . 1 1 33 33 HIS H H 1 8.286 0.000 . . . . . . 33 HIS H . 34010 1 311 . 1 1 33 33 HIS HA H 1 4.593 0.006 . . . . . . 33 HIS HA . 34010 1 312 . 1 1 33 33 HIS HB2 H 1 3.007 0.000 . . . . . . 33 HIS HB2 . 34010 1 313 . 1 1 33 33 HIS HB3 H 1 2.733 0.000 . . . . . . 33 HIS HB3 . 34010 1 314 . 1 1 33 33 HIS CA C 13 53.766 0.000 . . . . . . 33 HIS CA . 34010 1 315 . 1 1 33 33 HIS CB C 13 30.146 0.000 . . . . . . 33 HIS CB . 34010 1 316 . 1 1 34 34 ILE H H 1 9.971 0.000 . . . . . . 34 ILE H . 34010 1 317 . 1 1 34 34 ILE HA H 1 3.964 0.001 . . . . . . 34 ILE HA . 34010 1 318 . 1 1 34 34 ILE HB H 1 1.156 0.003 . . . . . . 34 ILE HB . 34010 1 319 . 1 1 34 34 ILE HG12 H 1 0.949 0.000 . . . . . . 34 ILE HG12 . 34010 1 320 . 1 1 34 34 ILE HG13 H 1 -0.561 0.000 . . . . . . 34 ILE HG13 . 34010 1 321 . 1 1 34 34 ILE HG21 H 1 0.135 0.001 . . . . . . 34 ILE HG21 . 34010 1 322 . 1 1 34 34 ILE HG22 H 1 0.135 0.001 . . . . . . 34 ILE HG22 . 34010 1 323 . 1 1 34 34 ILE HG23 H 1 0.135 0.001 . . . . . . 34 ILE HG23 . 34010 1 324 . 1 1 34 34 ILE CA C 13 60.194 0.000 . . . . . . 34 ILE CA . 34010 1 325 . 1 1 34 34 ILE CB C 13 38.298 0.000 . . . . . . 34 ILE CB . 34010 1 326 . 1 1 34 34 ILE CG1 C 13 27.816 0.000 . . . . . . 34 ILE CG1 . 34010 1 327 . 1 1 34 34 ILE CG2 C 13 16.402 0.000 . . . . . . 34 ILE CG2 . 34010 1 328 . 1 1 34 34 ILE CD1 C 13 10.993 0.000 . . . . . . 34 ILE CD1 . 34010 1 329 . 1 1 35 35 PRO HA H 1 4.184 0.000 . . . . . . 35 PRO HA . 34010 1 330 . 1 1 35 35 PRO HB2 H 1 2.113 0.004 . . . . . . 35 PRO HB2 . 34010 1 331 . 1 1 35 35 PRO HB3 H 1 1.498 0.000 . . . . . . 35 PRO HB3 . 34010 1 332 . 1 1 35 35 PRO HG2 H 1 2.006 0.003 . . . . . . 35 PRO HG2 . 34010 1 333 . 1 1 35 35 PRO HG3 H 1 1.923 0.007 . . . . . . 35 PRO HG3 . 34010 1 334 . 1 1 35 35 PRO HD2 H 1 3.961 0.000 . . . . . . 35 PRO HD2 . 34010 1 335 . 1 1 35 35 PRO HD3 H 1 3.781 0.006 . . . . . . 35 PRO HD3 . 34010 1 336 . 1 1 35 35 PRO CA C 13 66.018 0.000 . . . . . . 35 PRO CA . 34010 1 337 . 1 1 35 35 PRO CG C 13 26.235 0.000 . . . . . . 35 PRO CG . 34010 1 338 . 1 1 35 35 PRO CD C 13 51.110 0.000 . . . . . . 35 PRO CD . 34010 1 339 . 1 1 36 36 GLU H H 1 8.598 0.000 . . . . . . 36 GLU H . 34010 1 340 . 1 1 36 36 GLU HA H 1 4.081 0.000 . . . . . . 36 GLU HA . 34010 1 341 . 1 1 36 36 GLU HB2 H 1 2.158 0.000 . . . . . . 36 GLU HB2 . 34010 1 342 . 1 1 36 36 GLU HB3 H 1 1.923 0.000 . . . . . . 36 GLU HB3 . 34010 1 343 . 1 1 36 36 GLU HG2 H 1 2.435 0.000 . . . . . . 36 GLU HG2 . 34010 1 344 . 1 1 36 36 GLU HG3 H 1 2.273 0.005 . . . . . . 36 GLU HG3 . 34010 1 345 . 1 1 36 36 GLU CA C 13 57.861 0.000 . . . . . . 36 GLU CA . 34010 1 346 . 1 1 36 36 GLU CB C 13 28.282 0.000 . . . . . . 36 GLU CB . 34010 1 347 . 1 1 36 36 GLU CG C 13 36.435 0.000 . . . . . . 36 GLU CG . 34010 1 348 . 1 1 37 37 ALA H H 1 8.144 0.000 . . . . . . 37 ALA H . 34010 1 349 . 1 1 37 37 ALA HA H 1 4.464 0.000 . . . . . . 37 ALA HA . 34010 1 350 . 1 1 37 37 ALA HB1 H 1 1.575 0.000 . . . . . . 37 ALA HB1 . 34010 1 351 . 1 1 37 37 ALA HB2 H 1 1.575 0.000 . . . . . . 37 ALA HB2 . 34010 1 352 . 1 1 37 37 ALA HB3 H 1 1.575 0.000 . . . . . . 37 ALA HB3 . 34010 1 353 . 1 1 37 37 ALA CA C 13 51.808 0.001 . . . . . . 37 ALA CA . 34010 1 354 . 1 1 37 37 ALA CB C 13 20.595 0.000 . . . . . . 37 ALA CB . 34010 1 355 . 1 1 38 38 ASP H H 1 8.969 0.000 . . . . . . 38 ASP H . 34010 1 356 . 1 1 38 38 ASP HA H 1 4.845 0.004 . . . . . . 38 ASP HA . 34010 1 357 . 1 1 38 38 ASP HB2 H 1 2.395 0.000 . . . . . . 38 ASP HB2 . 34010 1 358 . 1 1 38 38 ASP HB3 H 1 2.331 0.004 . . . . . . 38 ASP HB3 . 34010 1 359 . 1 1 38 38 ASP CA C 13 52.614 0.000 . . . . . . 38 ASP CA . 34010 1 360 . 1 1 38 38 ASP CB C 13 44.402 0.009 . . . . . . 38 ASP CB . 34010 1 361 . 1 1 39 39 LEU H H 1 8.180 0.000 . . . . . . 39 LEU H . 34010 1 362 . 1 1 39 39 LEU HA H 1 4.342 0.000 . . . . . . 39 LEU HA . 34010 1 363 . 1 1 39 39 LEU HB2 H 1 1.123 0.000 . . . . . . 39 LEU HB2 . 34010 1 364 . 1 1 39 39 LEU HG H 1 1.026 0.000 . . . . . . 39 LEU HG . 34010 1 365 . 1 1 39 39 LEU HD11 H 1 0.483 0.005 . . . . . . 39 LEU HD11 . 34010 1 366 . 1 1 39 39 LEU HD12 H 1 0.483 0.005 . . . . . . 39 LEU HD12 . 34010 1 367 . 1 1 39 39 LEU HD13 H 1 0.483 0.005 . . . . . . 39 LEU HD13 . 34010 1 368 . 1 1 39 39 LEU HD21 H 1 0.424 0.000 . . . . . . 39 LEU HD21 . 34010 1 369 . 1 1 39 39 LEU HD22 H 1 0.424 0.000 . . . . . . 39 LEU HD22 . 34010 1 370 . 1 1 39 39 LEU HD23 H 1 0.424 0.000 . . . . . . 39 LEU HD23 . 34010 1 371 . 1 1 39 39 LEU CA C 13 54.138 0.000 . . . . . . 39 LEU CA . 34010 1 372 . 1 1 39 39 LEU CB C 13 41.553 0.021 . . . . . . 39 LEU CB . 34010 1 373 . 1 1 39 39 LEU CG C 13 26.652 0.000 . . . . . . 39 LEU CG . 34010 1 374 . 1 1 39 39 LEU CD1 C 13 21.061 0.000 . . . . . . 39 LEU CD1 . 34010 1 375 . 1 1 39 39 LEU CD2 C 13 25.254 0.000 . . . . . . 39 LEU CD2 . 34010 1 376 . 1 1 40 40 ALA H H 1 8.672 0.006 . . . . . . 40 ALA H . 34010 1 377 . 1 1 40 40 ALA HA H 1 4.440 0.001 . . . . . . 40 ALA HA . 34010 1 378 . 1 1 40 40 ALA HB1 H 1 0.999 0.002 . . . . . . 40 ALA HB1 . 34010 1 379 . 1 1 40 40 ALA HB2 H 1 0.999 0.002 . . . . . . 40 ALA HB2 . 34010 1 380 . 1 1 40 40 ALA HB3 H 1 0.999 0.002 . . . . . . 40 ALA HB3 . 34010 1 381 . 1 1 40 40 ALA CA C 13 48.784 0.000 . . . . . . 40 ALA CA . 34010 1 382 . 1 1 40 40 ALA CB C 13 18.222 0.099 . . . . . . 40 ALA CB . 34010 1 383 . 1 1 41 41 PRO HA H 1 4.114 0.000 . . . . . . 41 PRO HA . 34010 1 384 . 1 1 41 41 PRO HB2 H 1 2.399 0.001 . . . . . . 41 PRO HB2 . 34010 1 385 . 1 1 41 41 PRO HB3 H 1 1.638 0.000 . . . . . . 41 PRO HB3 . 34010 1 386 . 1 1 41 41 PRO HG2 H 1 2.210 0.000 . . . . . . 41 PRO HG2 . 34010 1 387 . 1 1 41 41 PRO HG3 H 1 2.047 0.000 . . . . . . 41 PRO HG3 . 34010 1 388 . 1 1 41 41 PRO HD2 H 1 3.431 0.000 . . . . . . 41 PRO HD2 . 34010 1 389 . 1 1 41 41 PRO HD3 H 1 3.288 0.000 . . . . . . 41 PRO HD3 . 34010 1 390 . 1 1 41 41 PRO CA C 13 61.592 0.000 . . . . . . 41 PRO CA . 34010 1 391 . 1 1 41 41 PRO CG C 13 26.885 0.000 . . . . . . 41 PRO CG . 34010 1 392 . 1 1 41 41 PRO CD C 13 49.712 0.000 . . . . . . 41 PRO CD . 34010 1 393 . 1 1 42 42 LEU H H 1 8.298 0.009 . . . . . . 42 LEU H . 34010 1 394 . 1 1 42 42 LEU HA H 1 3.880 0.000 . . . . . . 42 LEU HA . 34010 1 395 . 1 1 42 42 LEU HB2 H 1 1.880 0.001 . . . . . . 42 LEU HB2 . 34010 1 396 . 1 1 42 42 LEU HB3 H 1 1.408 0.000 . . . . . . 42 LEU HB3 . 34010 1 397 . 1 1 42 42 LEU HG H 1 1.643 0.001 . . . . . . 42 LEU HG . 34010 1 398 . 1 1 42 42 LEU HD11 H 1 0.752 0.004 . . . . . . 42 LEU HD11 . 34010 1 399 . 1 1 42 42 LEU HD12 H 1 0.752 0.004 . . . . . . 42 LEU HD12 . 34010 1 400 . 1 1 42 42 LEU HD13 H 1 0.752 0.004 . . . . . . 42 LEU HD13 . 34010 1 401 . 1 1 42 42 LEU HD21 H 1 0.697 0.001 . . . . . . 42 LEU HD21 . 34010 1 402 . 1 1 42 42 LEU HD22 H 1 0.697 0.001 . . . . . . 42 LEU HD22 . 34010 1 403 . 1 1 42 42 LEU HD23 H 1 0.697 0.001 . . . . . . 42 LEU HD23 . 34010 1 404 . 1 1 42 42 LEU CA C 13 58.098 0.000 . . . . . . 42 LEU CA . 34010 1 405 . 1 1 42 42 LEU CB C 13 41.301 0.103 . . . . . . 42 LEU CB . 34010 1 406 . 1 1 42 42 LEU CG C 13 25.953 0.000 . . . . . . 42 LEU CG . 34010 1 407 . 1 1 42 42 LEU CD1 C 13 25.720 0.000 . . . . . . 42 LEU CD1 . 34010 1 408 . 1 1 42 42 LEU CD2 C 13 22.226 0.000 . . . . . . 42 LEU CD2 . 34010 1 409 . 1 1 43 43 SER H H 1 8.506 0.001 . . . . . . 43 SER H . 34010 1 410 . 1 1 43 43 SER HA H 1 4.136 0.000 . . . . . . 43 SER HA . 34010 1 411 . 1 1 43 43 SER HB2 H 1 3.874 0.000 . . . . . . 43 SER HB2 . 34010 1 412 . 1 1 43 43 SER HB3 H 1 3.804 0.001 . . . . . . 43 SER HB3 . 34010 1 413 . 1 1 43 43 SER CA C 13 60.660 0.000 . . . . . . 43 SER CA . 34010 1 414 . 1 1 43 43 SER CB C 13 61.387 0.010 . . . . . . 43 SER CB . 34010 1 415 . 1 1 44 44 VAL H H 1 7.182 0.001 . . . . . . 44 VAL H . 34010 1 416 . 1 1 44 44 VAL HA H 1 3.827 0.000 . . . . . . 44 VAL HA . 34010 1 417 . 1 1 44 44 VAL HB H 1 2.181 0.000 . . . . . . 44 VAL HB . 34010 1 418 . 1 1 44 44 VAL HG11 H 1 0.963 0.000 . . . . . . 44 VAL HG11 . 34010 1 419 . 1 1 44 44 VAL HG12 H 1 0.963 0.000 . . . . . . 44 VAL HG12 . 34010 1 420 . 1 1 44 44 VAL HG13 H 1 0.963 0.000 . . . . . . 44 VAL HG13 . 34010 1 421 . 1 1 44 44 VAL HG21 H 1 0.901 0.000 . . . . . . 44 VAL HG21 . 34010 1 422 . 1 1 44 44 VAL HG22 H 1 0.901 0.000 . . . . . . 44 VAL HG22 . 34010 1 423 . 1 1 44 44 VAL HG23 H 1 0.901 0.000 . . . . . . 44 VAL HG23 . 34010 1 424 . 1 1 44 44 VAL CA C 13 64.924 0.000 . . . . . . 44 VAL CA . 34010 1 425 . 1 1 44 44 VAL CB C 13 31.310 0.000 . . . . . . 44 VAL CB . 34010 1 426 . 1 1 44 44 VAL CG1 C 13 21.760 0.000 . . . . . . 44 VAL CG1 . 34010 1 427 . 1 1 44 44 VAL CG2 C 13 19.897 0.000 . . . . . . 44 VAL CG2 . 34010 1 428 . 1 1 45 45 LEU H H 1 8.040 0.000 . . . . . . 45 LEU H . 34010 1 429 . 1 1 45 45 LEU HA H 1 3.822 0.001 . . . . . . 45 LEU HA . 34010 1 430 . 1 1 45 45 LEU HB2 H 1 1.994 0.000 . . . . . . 45 LEU HB2 . 34010 1 431 . 1 1 45 45 LEU HB3 H 1 1.171 0.000 . . . . . . 45 LEU HB3 . 34010 1 432 . 1 1 45 45 LEU HG H 1 1.601 0.000 . . . . . . 45 LEU HG . 34010 1 433 . 1 1 45 45 LEU HD11 H 1 0.767 0.002 . . . . . . 45 LEU HD11 . 34010 1 434 . 1 1 45 45 LEU HD12 H 1 0.767 0.002 . . . . . . 45 LEU HD12 . 34010 1 435 . 1 1 45 45 LEU HD13 H 1 0.767 0.002 . . . . . . 45 LEU HD13 . 34010 1 436 . 1 1 45 45 LEU CA C 13 57.127 0.104 . . . . . . 45 LEU CA . 34010 1 437 . 1 1 45 45 LEU CB C 13 41.094 0.000 . . . . . . 45 LEU CB . 34010 1 438 . 1 1 45 45 LEU CG C 13 25.254 0.000 . . . . . . 45 LEU CG . 34010 1 439 . 1 1 45 45 LEU CD1 C 13 25.720 0.000 . . . . . . 45 LEU CD1 . 34010 1 440 . 1 1 46 46 GLU H H 1 8.548 0.000 . . . . . . 46 GLU H . 34010 1 441 . 1 1 46 46 GLU HA H 1 3.810 0.000 . . . . . . 46 GLU HA . 34010 1 442 . 1 1 46 46 GLU HB2 H 1 2.022 0.000 . . . . . . 46 GLU HB2 . 34010 1 443 . 1 1 46 46 GLU HB3 H 1 1.939 0.000 . . . . . . 46 GLU HB3 . 34010 1 444 . 1 1 46 46 GLU HG2 H 1 2.337 0.000 . . . . . . 46 GLU HG2 . 34010 1 445 . 1 1 46 46 GLU HG3 H 1 1.959 0.000 . . . . . . 46 GLU HG3 . 34010 1 446 . 1 1 46 46 GLU CA C 13 58.797 0.000 . . . . . . 46 GLU CA . 34010 1 447 . 1 1 46 46 GLU CB C 13 29.913 0.000 . . . . . . 46 GLU CB . 34010 1 448 . 1 1 46 46 GLU CG C 13 36.901 0.000 . . . . . . 46 GLU CG . 34010 1 449 . 1 1 47 47 GLN H H 1 7.439 0.000 . . . . . . 47 GLN H . 34010 1 450 . 1 1 47 47 GLN HA H 1 4.292 0.000 . . . . . . 47 GLN HA . 34010 1 451 . 1 1 47 47 GLN HB2 H 1 2.148 0.000 . . . . . . 47 GLN HB2 . 34010 1 452 . 1 1 47 47 GLN HB3 H 1 2.106 0.000 . . . . . . 47 GLN HB3 . 34010 1 453 . 1 1 47 47 GLN HG2 H 1 2.487 0.004 . . . . . . 47 GLN HG2 . 34010 1 454 . 1 1 47 47 GLN HG3 H 1 2.358 0.006 . . . . . . 47 GLN HG3 . 34010 1 455 . 1 1 47 47 GLN CA C 13 57.399 0.000 . . . . . . 47 GLN CA . 34010 1 456 . 1 1 47 47 GLN CB C 13 29.447 0.000 . . . . . . 47 GLN CB . 34010 1 457 . 1 1 47 47 GLN CG C 13 33.407 0.000 . . . . . . 47 GLN CG . 34010 1 458 . 1 1 48 48 SER H H 1 8.598 0.000 . . . . . . 48 SER H . 34010 1 459 . 1 1 48 48 SER HA H 1 4.641 0.004 . . . . . . 48 SER HA . 34010 1 460 . 1 1 48 48 SER HB2 H 1 3.913 0.000 . . . . . . 48 SER HB2 . 34010 1 461 . 1 1 48 48 SER HB3 H 1 3.785 0.000 . . . . . . 48 SER HB3 . 34010 1 462 . 1 1 48 48 SER CA C 13 57.956 0.000 . . . . . . 48 SER CA . 34010 1 463 . 1 1 48 48 SER CB C 13 64.387 0.000 . . . . . . 48 SER CB . 34010 1 464 . 1 1 49 49 GLY H H 1 7.843 0.000 . . . . . . 49 GLY H . 34010 1 465 . 1 1 49 49 GLY HA2 H 1 4.231 0.000 . . . . . . 49 GLY HA2 . 34010 1 466 . 1 1 49 49 GLY CA C 13 43.892 0.002 . . . . . . 49 GLY CA . 34010 1 467 . 1 1 50 50 LEU H H 1 8.604 0.002 . . . . . . 50 LEU H . 34010 1 468 . 1 1 50 50 LEU HA H 1 4.239 0.000 . . . . . . 50 LEU HA . 34010 1 469 . 1 1 50 50 LEU HB2 H 1 1.641 0.000 . . . . . . 50 LEU HB2 . 34010 1 470 . 1 1 50 50 LEU HB3 H 1 1.240 0.000 . . . . . . 50 LEU HB3 . 34010 1 471 . 1 1 50 50 LEU HG H 1 1.549 0.004 . . . . . . 50 LEU HG . 34010 1 472 . 1 1 50 50 LEU HD11 H 1 0.842 0.000 . . . . . . 50 LEU HD11 . 34010 1 473 . 1 1 50 50 LEU HD12 H 1 0.842 0.000 . . . . . . 50 LEU HD12 . 34010 1 474 . 1 1 50 50 LEU HD13 H 1 0.842 0.000 . . . . . . 50 LEU HD13 . 34010 1 475 . 1 1 50 50 LEU HD21 H 1 0.695 0.005 . . . . . . 50 LEU HD21 . 34010 1 476 . 1 1 50 50 LEU HD22 H 1 0.695 0.005 . . . . . . 50 LEU HD22 . 34010 1 477 . 1 1 50 50 LEU HD23 H 1 0.695 0.005 . . . . . . 50 LEU HD23 . 34010 1 478 . 1 1 50 50 LEU CA C 13 51.985 0.000 . . . . . . 50 LEU CA . 34010 1 479 . 1 1 50 50 LEU CB C 13 42.702 0.043 . . . . . . 50 LEU CB . 34010 1 480 . 1 1 50 50 LEU CG C 13 27.101 0.000 . . . . . . 50 LEU CG . 34010 1 481 . 1 1 50 50 LEU CD1 C 13 24.788 0.000 . . . . . . 50 LEU CD1 . 34010 1 482 . 1 1 50 50 LEU CD2 C 13 24.075 0.000 . . . . . . 50 LEU CD2 . 34010 1 483 . 1 1 51 51 PRO HA H 1 4.333 0.000 . . . . . . 51 PRO HA . 34010 1 484 . 1 1 51 51 PRO HB2 H 1 2.405 0.000 . . . . . . 51 PRO HB2 . 34010 1 485 . 1 1 51 51 PRO HB3 H 1 1.704 0.000 . . . . . . 51 PRO HB3 . 34010 1 486 . 1 1 51 51 PRO HG2 H 1 2.003 0.004 . . . . . . 51 PRO HG2 . 34010 1 487 . 1 1 51 51 PRO HD2 H 1 4.068 0.000 . . . . . . 51 PRO HD2 . 34010 1 488 . 1 1 51 51 PRO HD3 H 1 3.345 0.000 . . . . . . 51 PRO HD3 . 34010 1 489 . 1 1 51 51 PRO CA C 13 62.291 0.000 . . . . . . 51 PRO CA . 34010 1 490 . 1 1 51 51 PRO CG C 13 26.879 0.019 . . . . . . 51 PRO CG . 34010 1 491 . 1 1 51 51 PRO CD C 13 50.178 0.000 . . . . . . 51 PRO CD . 34010 1 492 . 1 1 52 52 ALA H H 1 8.590 0.000 . . . . . . 52 ALA H . 34010 1 493 . 1 1 52 52 ALA HA H 1 3.871 0.000 . . . . . . 52 ALA HA . 34010 1 494 . 1 1 52 52 ALA HB1 H 1 1.409 0.000 . . . . . . 52 ALA HB1 . 34010 1 495 . 1 1 52 52 ALA HB2 H 1 1.409 0.000 . . . . . . 52 ALA HB2 . 34010 1 496 . 1 1 52 52 ALA HB3 H 1 1.409 0.000 . . . . . . 52 ALA HB3 . 34010 1 497 . 1 1 52 52 ALA CA C 13 55.070 0.000 . . . . . . 52 ALA CA . 34010 1 498 . 1 1 52 52 ALA CB C 13 17.800 0.000 . . . . . . 52 ALA CB . 34010 1 499 . 1 1 53 53 LYS H H 1 8.342 0.004 . . . . . . 53 LYS H . 34010 1 500 . 1 1 53 53 LYS HA H 1 4.152 0.004 . . . . . . 53 LYS HA . 34010 1 501 . 1 1 53 53 LYS HB2 H 1 1.850 0.000 . . . . . . 53 LYS HB2 . 34010 1 502 . 1 1 53 53 LYS HB3 H 1 1.744 0.005 . . . . . . 53 LYS HB3 . 34010 1 503 . 1 1 53 53 LYS HG2 H 1 1.423 0.000 . . . . . . 53 LYS HG2 . 34010 1 504 . 1 1 53 53 LYS HG3 H 1 1.295 0.000 . . . . . . 53 LYS HG3 . 34010 1 505 . 1 1 53 53 LYS HD2 H 1 1.641 0.005 . . . . . . 53 LYS HD2 . 34010 1 506 . 1 1 53 53 LYS HE2 H 1 2.917 0.004 . . . . . . 53 LYS HE2 . 34010 1 507 . 1 1 53 53 LYS CA C 13 57.399 0.000 . . . . . . 53 LYS CA . 34010 1 508 . 1 1 53 53 LYS CG C 13 24.075 0.000 . . . . . . 53 LYS CG . 34010 1 509 . 1 1 53 53 LYS CD C 13 28.554 0.087 . . . . . . 53 LYS CD . 34010 1 510 . 1 1 53 53 LYS CE C 13 41.220 0.000 . . . . . . 53 LYS CE . 34010 1 511 . 1 1 54 54 LEU H H 1 7.793 0.000 . . . . . . 54 LEU H . 34010 1 512 . 1 1 54 54 LEU HA H 1 4.292 0.000 . . . . . . 54 LEU HA . 34010 1 513 . 1 1 54 54 LEU HB2 H 1 1.704 0.000 . . . . . . 54 LEU HB2 . 34010 1 514 . 1 1 54 54 LEU HB3 H 1 1.541 0.000 . . . . . . 54 LEU HB3 . 34010 1 515 . 1 1 54 54 LEU HG H 1 1.443 0.000 . . . . . . 54 LEU HG . 34010 1 516 . 1 1 54 54 LEU HD11 H 1 0.738 0.000 . . . . . . 54 LEU HD11 . 34010 1 517 . 1 1 54 54 LEU HD12 H 1 0.738 0.000 . . . . . . 54 LEU HD12 . 34010 1 518 . 1 1 54 54 LEU HD13 H 1 0.738 0.000 . . . . . . 54 LEU HD13 . 34010 1 519 . 1 1 54 54 LEU HD21 H 1 0.689 0.004 . . . . . . 54 LEU HD21 . 34010 1 520 . 1 1 54 54 LEU HD22 H 1 0.689 0.004 . . . . . . 54 LEU HD22 . 34010 1 521 . 1 1 54 54 LEU HD23 H 1 0.689 0.004 . . . . . . 54 LEU HD23 . 34010 1 522 . 1 1 54 54 LEU CA C 13 53.439 0.000 . . . . . . 54 LEU CA . 34010 1 523 . 1 1 54 54 LEU CB C 13 41.047 0.203 . . . . . . 54 LEU CB . 34010 1 524 . 1 1 54 54 LEU CG C 13 26.885 0.000 . . . . . . 54 LEU CG . 34010 1 525 . 1 1 54 54 LEU CD1 C 13 24.788 0.000 . . . . . . 54 LEU CD1 . 34010 1 526 . 1 1 54 54 LEU CD2 C 13 24.788 0.000 . . . . . . 54 LEU CD2 . 34010 1 527 . 1 1 55 55 ARG H H 1 6.978 0.003 . . . . . . 55 ARG H . 34010 1 528 . 1 1 55 55 ARG HA H 1 3.984 0.000 . . . . . . 55 ARG HA . 34010 1 529 . 1 1 55 55 ARG HB2 H 1 1.761 0.006 . . . . . . 55 ARG HB2 . 34010 1 530 . 1 1 55 55 ARG HB3 H 1 1.692 0.005 . . . . . . 55 ARG HB3 . 34010 1 531 . 1 1 55 55 ARG HG2 H 1 1.660 0.006 . . . . . . 55 ARG HG2 . 34010 1 532 . 1 1 55 55 ARG HG3 H 1 1.460 0.004 . . . . . . 55 ARG HG3 . 34010 1 533 . 1 1 55 55 ARG HD2 H 1 3.189 0.005 . . . . . . 55 ARG HD2 . 34010 1 534 . 1 1 55 55 ARG HD3 H 1 3.120 0.005 . . . . . . 55 ARG HD3 . 34010 1 535 . 1 1 55 55 ARG CA C 13 56.949 0.000 . . . . . . 55 ARG CA . 34010 1 536 . 1 1 55 55 ARG CB C 13 29.214 0.000 . . . . . . 55 ARG CB . 34010 1 537 . 1 1 55 55 ARG CG C 13 27.350 0.000 . . . . . . 55 ARG CG . 34010 1 538 . 1 1 55 55 ARG CD C 13 43.190 0.000 . . . . . . 55 ARG CD . 34010 1 539 . 1 1 56 56 HIS H H 1 7.289 0.000 . . . . . . 56 HIS H . 34010 1 540 . 1 1 56 56 HIS HA H 1 4.599 0.004 . . . . . . 56 HIS HA . 34010 1 541 . 1 1 56 56 HIS HB2 H 1 3.033 0.000 . . . . . . 56 HIS HB2 . 34010 1 542 . 1 1 56 56 HIS HB3 H 1 2.861 0.000 . . . . . . 56 HIS HB3 . 34010 1 543 . 1 1 56 56 HIS CA C 13 54.879 0.099 . . . . . . 56 HIS CA . 34010 1 544 . 1 1 56 56 HIS CB C 13 32.941 0.000 . . . . . . 56 HIS CB . 34010 1 545 . 1 1 57 57 GLU H H 1 7.690 0.000 . . . . . . 57 GLU H . 34010 1 546 . 1 1 57 57 GLU HA H 1 4.014 0.004 . . . . . . 57 GLU HA . 34010 1 547 . 1 1 57 57 GLU HB2 H 1 2.029 0.001 . . . . . . 57 GLU HB2 . 34010 1 548 . 1 1 57 57 GLU HB3 H 1 1.874 0.010 . . . . . . 57 GLU HB3 . 34010 1 549 . 1 1 57 57 GLU HG2 H 1 2.208 0.042 . . . . . . 57 GLU HG2 . 34010 1 550 . 1 1 57 57 GLU CA C 13 58.871 0.000 . . . . . . 57 GLU CA . 34010 1 551 . 1 1 57 57 GLU CB C 13 29.447 0.000 . . . . . . 57 GLU CB . 34010 1 552 . 1 1 57 57 GLU CG C 13 36.289 0.113 . . . . . . 57 GLU CG . 34010 1 553 . 1 1 58 58 GLN H H 1 8.349 0.000 . . . . . . 58 GLN H . 34010 1 554 . 1 1 58 58 GLN HA H 1 5.433 0.000 . . . . . . 58 GLN HA . 34010 1 555 . 1 1 58 58 GLN HB2 H 1 2.155 0.004 . . . . . . 58 GLN HB2 . 34010 1 556 . 1 1 58 58 GLN HB3 H 1 1.739 0.004 . . . . . . 58 GLN HB3 . 34010 1 557 . 1 1 58 58 GLN HG2 H 1 2.500 0.006 . . . . . . 58 GLN HG2 . 34010 1 558 . 1 1 58 58 GLN HG3 H 1 2.369 0.000 . . . . . . 58 GLN HG3 . 34010 1 559 . 1 1 58 58 GLN CA C 13 54.910 0.000 . . . . . . 58 GLN CA . 34010 1 560 . 1 1 58 58 GLN CG C 13 34.338 0.000 . . . . . . 58 GLN CG . 34010 1 561 . 1 1 59 59 ILE H H 1 8.706 0.005 . . . . . . 59 ILE H . 34010 1 562 . 1 1 59 59 ILE HA H 1 4.530 0.005 . . . . . . 59 ILE HA . 34010 1 563 . 1 1 59 59 ILE HB H 1 1.217 0.004 . . . . . . 59 ILE HB . 34010 1 564 . 1 1 59 59 ILE HG12 H 1 1.391 0.004 . . . . . . 59 ILE HG12 . 34010 1 565 . 1 1 59 59 ILE HG21 H 1 0.795 0.001 . . . . . . 59 ILE HG21 . 34010 1 566 . 1 1 59 59 ILE HG22 H 1 0.795 0.001 . . . . . . 59 ILE HG22 . 34010 1 567 . 1 1 59 59 ILE HG23 H 1 0.795 0.001 . . . . . . 59 ILE HG23 . 34010 1 568 . 1 1 59 59 ILE HD11 H 1 -0.068 0.001 . . . . . . 59 ILE HD11 . 34010 1 569 . 1 1 59 59 ILE HD12 H 1 -0.068 0.001 . . . . . . 59 ILE HD12 . 34010 1 570 . 1 1 59 59 ILE HD13 H 1 -0.068 0.001 . . . . . . 59 ILE HD13 . 34010 1 571 . 1 1 59 59 ILE CA C 13 58.869 0.000 . . . . . . 59 ILE CA . 34010 1 572 . 1 1 59 59 ILE CB C 13 42.491 0.000 . . . . . . 59 ILE CB . 34010 1 573 . 1 1 59 59 ILE CG1 C 13 27.117 0.000 . . . . . . 59 ILE CG1 . 34010 1 574 . 1 1 59 59 ILE CG2 C 13 14.275 0.095 . . . . . . 59 ILE CG2 . 34010 1 575 . 1 1 59 59 ILE CD1 C 13 16.635 0.000 . . . . . . 59 ILE CD1 . 34010 1 576 . 1 1 60 60 ILE H H 1 9.016 0.005 . . . . . . 60 ILE H . 34010 1 577 . 1 1 60 60 ILE HA H 1 4.976 0.001 . . . . . . 60 ILE HA . 34010 1 578 . 1 1 60 60 ILE HB H 1 1.651 0.000 . . . . . . 60 ILE HB . 34010 1 579 . 1 1 60 60 ILE HG12 H 1 1.427 0.007 . . . . . . 60 ILE HG12 . 34010 1 580 . 1 1 60 60 ILE HG13 H 1 0.672 0.000 . . . . . . 60 ILE HG13 . 34010 1 581 . 1 1 60 60 ILE HG21 H 1 0.629 0.000 . . . . . . 60 ILE HG21 . 34010 1 582 . 1 1 60 60 ILE HG22 H 1 0.629 0.000 . . . . . . 60 ILE HG22 . 34010 1 583 . 1 1 60 60 ILE HG23 H 1 0.629 0.000 . . . . . . 60 ILE HG23 . 34010 1 584 . 1 1 60 60 ILE HD11 H 1 0.614 0.005 . . . . . . 60 ILE HD11 . 34010 1 585 . 1 1 60 60 ILE HD12 H 1 0.614 0.005 . . . . . . 60 ILE HD12 . 34010 1 586 . 1 1 60 60 ILE HD13 H 1 0.614 0.005 . . . . . . 60 ILE HD13 . 34010 1 587 . 1 1 60 60 ILE CA C 13 57.896 0.071 . . . . . . 60 ILE CA . 34010 1 588 . 1 1 60 60 ILE CB C 13 39.696 0.000 . . . . . . 60 ILE CB . 34010 1 589 . 1 1 60 60 ILE CG1 C 13 26.186 0.000 . . . . . . 60 ILE CG1 . 34010 1 590 . 1 1 60 60 ILE CG2 C 13 17.577 0.000 . . . . . . 60 ILE CG2 . 34010 1 591 . 1 1 60 60 ILE CD1 C 13 15.238 0.000 . . . . . . 60 ILE CD1 . 34010 1 592 . 1 1 61 61 PHE H H 1 8.942 0.000 . . . . . . 61 PHE H . 34010 1 593 . 1 1 61 61 PHE HA H 1 5.779 0.000 . . . . . . 61 PHE HA . 34010 1 594 . 1 1 61 61 PHE HB2 H 1 2.844 0.003 . . . . . . 61 PHE HB2 . 34010 1 595 . 1 1 61 61 PHE HB3 H 1 2.749 0.000 . . . . . . 61 PHE HB3 . 34010 1 596 . 1 1 61 61 PHE HD1 H 1 7.088 0.001 . . . . . . 61 PHE HD1 . 34010 1 597 . 1 1 61 61 PHE HD2 H 1 7.088 0.001 . . . . . . 61 PHE HD2 . 34010 1 598 . 1 1 61 61 PHE HE1 H 1 6.983 0.005 . . . . . . 61 PHE HE1 . 34010 1 599 . 1 1 61 61 PHE HE2 H 1 6.983 0.005 . . . . . . 61 PHE HE2 . 34010 1 600 . 1 1 61 61 PHE HZ H 1 6.890 0.003 . . . . . . 61 PHE HZ . 34010 1 601 . 1 1 61 61 PHE CA C 13 56.467 0.000 . . . . . . 61 PHE CA . 34010 1 602 . 1 1 61 61 PHE CB C 13 42.731 0.033 . . . . . . 61 PHE CB . 34010 1 603 . 1 1 61 61 PHE CD1 C 13 131.938 0.000 . . . . . . 61 PHE CD1 . 34010 1 604 . 1 1 61 61 PHE CE1 C 13 129.971 0.000 . . . . . . 61 PHE CE1 . 34010 1 605 . 1 1 61 61 PHE CZ C 13 127.708 0.098 . . . . . . 61 PHE CZ . 34010 1 606 . 1 1 62 62 HIS H H 1 9.258 0.000 . . . . . . 62 HIS H . 34010 1 607 . 1 1 62 62 HIS HA H 1 5.800 0.000 . . . . . . 62 HIS HA . 34010 1 608 . 1 1 62 62 HIS HB2 H 1 3.172 0.000 . . . . . . 62 HIS HB2 . 34010 1 609 . 1 1 62 62 HIS HB3 H 1 2.725 0.000 . . . . . . 62 HIS HB3 . 34010 1 610 . 1 1 62 62 HIS CA C 13 53.672 0.000 . . . . . . 62 HIS CA . 34010 1 611 . 1 1 62 62 HIS CB C 13 35.673 0.000 . . . . . . 62 HIS CB . 34010 1 612 . 1 1 63 63 CYS H H 1 8.139 0.004 . . . . . . 63 CYS H . 34010 1 613 . 1 1 63 63 CYS HA H 1 5.032 0.006 . . . . . . 63 CYS HA . 34010 1 614 . 1 1 63 63 CYS HB2 H 1 3.524 0.006 . . . . . . 63 CYS HB2 . 34010 1 615 . 1 1 63 63 CYS HB3 H 1 2.531 0.005 . . . . . . 63 CYS HB3 . 34010 1 616 . 1 1 63 63 CYS CA C 13 56.131 0.000 . . . . . . 63 CYS CA . 34010 1 617 . 1 1 63 63 CYS CB C 13 28.109 0.000 . . . . . . 63 CYS CB . 34010 1 618 . 1 1 65 65 ALA HA H 1 5.044 0.000 . . . . . . 65 ALA HA . 34010 1 619 . 1 1 65 65 ALA HB1 H 1 1.448 0.000 . . . . . . 65 ALA HB1 . 34010 1 620 . 1 1 65 65 ALA HB2 H 1 1.448 0.000 . . . . . . 65 ALA HB2 . 34010 1 621 . 1 1 65 65 ALA HB3 H 1 1.448 0.000 . . . . . . 65 ALA HB3 . 34010 1 622 . 1 1 65 65 ALA CA C 13 50.877 0.000 . . . . . . 65 ALA CA . 34010 1 623 . 1 1 65 65 ALA CB C 13 19.896 0.000 . . . . . . 65 ALA CB . 34010 1 624 . 1 1 66 66 GLY H H 1 8.879 0.156 . . . . . . 66 GLY H . 34010 1 625 . 1 1 66 66 GLY HA2 H 1 4.488 0.005 . . . . . . 66 GLY HA2 . 34010 1 626 . 1 1 66 66 GLY CA C 13 44.934 0.000 . . . . . . 66 GLY CA . 34010 1 627 . 1 1 67 67 LYS H H 1 8.201 0.000 . . . . . . 67 LYS H . 34010 1 628 . 1 1 67 67 LYS HA H 1 4.182 0.000 . . . . . . 67 LYS HA . 34010 1 629 . 1 1 67 67 LYS HE2 H 1 2.618 0.003 . . . . . . 67 LYS HE2 . 34010 1 630 . 1 1 67 67 LYS CA C 13 58.400 0.000 . . . . . . 67 LYS CA . 34010 1 631 . 1 1 67 67 LYS CE C 13 40.861 0.000 . . . . . . 67 LYS CE . 34010 1 632 . 1 1 68 68 ARG H H 1 9.080 0.000 . . . . . . 68 ARG H . 34010 1 633 . 1 1 69 69 THR H H 1 10.170 0.008 . . . . . . 69 THR H . 34010 1 634 . 1 1 69 69 THR HA H 1 3.731 0.002 . . . . . . 69 THR HA . 34010 1 635 . 1 1 69 69 THR HB H 1 4.170 0.000 . . . . . . 69 THR HB . 34010 1 636 . 1 1 69 69 THR HG21 H 1 1.058 0.000 . . . . . . 69 THR HG21 . 34010 1 637 . 1 1 69 69 THR HG22 H 1 1.058 0.000 . . . . . . 69 THR HG22 . 34010 1 638 . 1 1 69 69 THR HG23 H 1 1.058 0.000 . . . . . . 69 THR HG23 . 34010 1 639 . 1 1 69 69 THR CA C 13 63.455 0.000 . . . . . . 69 THR CA . 34010 1 640 . 1 1 69 69 THR CB C 13 66.484 0.000 . . . . . . 69 THR CB . 34010 1 641 . 1 1 69 69 THR CG2 C 13 23.391 0.000 . . . . . . 69 THR CG2 . 34010 1 642 . 1 1 70 70 SER H H 1 7.385 0.012 . . . . . . 70 SER H . 34010 1 643 . 1 1 70 70 SER HA H 1 4.010 0.005 . . . . . . 70 SER HA . 34010 1 644 . 1 1 70 70 SER HB2 H 1 4.004 0.004 . . . . . . 70 SER HB2 . 34010 1 645 . 1 1 70 70 SER HB3 H 1 3.937 0.008 . . . . . . 70 SER HB3 . 34010 1 646 . 1 1 70 70 SER CA C 13 61.391 0.000 . . . . . . 70 SER CA . 34010 1 647 . 1 1 70 70 SER CB C 13 65.442 0.034 . . . . . . 70 SER CB . 34010 1 648 . 1 1 71 71 ASN H H 1 7.887 0.000 . . . . . . 71 ASN H . 34010 1 649 . 1 1 71 71 ASN HA H 1 4.179 0.004 . . . . . . 71 ASN HA . 34010 1 650 . 1 1 71 71 ASN HB2 H 1 2.832 0.004 . . . . . . 71 ASN HB2 . 34010 1 651 . 1 1 71 71 ASN HB3 H 1 2.780 0.004 . . . . . . 71 ASN HB3 . 34010 1 652 . 1 1 71 71 ASN CA C 13 54.596 0.000 . . . . . . 71 ASN CA . 34010 1 653 . 1 1 71 71 ASN CB C 13 38.391 0.000 . . . . . . 71 ASN CB . 34010 1 654 . 1 1 72 72 ASN H H 1 7.280 0.000 . . . . . . 72 ASN H . 34010 1 655 . 1 1 72 72 ASN HA H 1 5.128 0.000 . . . . . . 72 ASN HA . 34010 1 656 . 1 1 72 72 ASN HB2 H 1 2.666 0.001 . . . . . . 72 ASN HB2 . 34010 1 657 . 1 1 72 72 ASN HB3 H 1 2.457 0.000 . . . . . . 72 ASN HB3 . 34010 1 658 . 1 1 72 72 ASN HD21 H 1 8.045 0.002 . . . . . . 72 ASN HD21 . 34010 1 659 . 1 1 72 72 ASN CA C 13 52.507 0.000 . . . . . . 72 ASN CA . 34010 1 660 . 1 1 72 72 ASN CB C 13 39.013 0.085 . . . . . . 72 ASN CB . 34010 1 661 . 1 1 73 73 ALA H H 1 7.224 0.003 . . . . . . 73 ALA H . 34010 1 662 . 1 1 73 73 ALA HA H 1 3.736 0.000 . . . . . . 73 ALA HA . 34010 1 663 . 1 1 73 73 ALA HB1 H 1 1.468 0.000 . . . . . . 73 ALA HB1 . 34010 1 664 . 1 1 73 73 ALA HB2 H 1 1.468 0.000 . . . . . . 73 ALA HB2 . 34010 1 665 . 1 1 73 73 ALA HB3 H 1 1.468 0.000 . . . . . . 73 ALA HB3 . 34010 1 666 . 1 1 73 73 ALA CA C 13 56.467 0.000 . . . . . . 73 ALA CA . 34010 1 667 . 1 1 73 73 ALA CB C 13 18.732 0.000 . . . . . . 73 ALA CB . 34010 1 668 . 1 1 74 74 ASP H H 1 8.349 0.000 . . . . . . 74 ASP H . 34010 1 669 . 1 1 74 74 ASP HA H 1 4.220 0.005 . . . . . . 74 ASP HA . 34010 1 670 . 1 1 74 74 ASP HB2 H 1 2.625 0.000 . . . . . . 74 ASP HB2 . 34010 1 671 . 1 1 74 74 ASP HB3 H 1 2.533 0.004 . . . . . . 74 ASP HB3 . 34010 1 672 . 1 1 74 74 ASP CA C 13 56.700 0.000 . . . . . . 74 ASP CA . 34010 1 673 . 1 1 74 74 ASP CB C 13 39.463 0.000 . . . . . . 74 ASP CB . 34010 1 674 . 1 1 75 75 LYS H H 1 7.638 0.000 . . . . . . 75 LYS H . 34010 1 675 . 1 1 75 75 LYS HA H 1 4.039 0.001 . . . . . . 75 LYS HA . 34010 1 676 . 1 1 75 75 LYS HB2 H 1 1.807 0.001 . . . . . . 75 LYS HB2 . 34010 1 677 . 1 1 75 75 LYS HB3 H 1 1.654 0.004 . . . . . . 75 LYS HB3 . 34010 1 678 . 1 1 75 75 LYS HG2 H 1 1.447 0.004 . . . . . . 75 LYS HG2 . 34010 1 679 . 1 1 75 75 LYS HG3 H 1 1.346 0.001 . . . . . . 75 LYS HG3 . 34010 1 680 . 1 1 75 75 LYS HD2 H 1 1.629 0.001 . . . . . . 75 LYS HD2 . 34010 1 681 . 1 1 75 75 LYS HE2 H 1 2.922 0.001 . . . . . . 75 LYS HE2 . 34010 1 682 . 1 1 75 75 LYS CA C 13 58.128 0.084 . . . . . . 75 LYS CA . 34010 1 683 . 1 1 75 75 LYS CB C 13 31.660 0.000 . . . . . . 75 LYS CB . 34010 1 684 . 1 1 75 75 LYS CG C 13 24.089 0.000 . . . . . . 75 LYS CG . 34010 1 685 . 1 1 75 75 LYS CD C 13 28.748 0.000 . . . . . . 75 LYS CD . 34010 1 686 . 1 1 75 75 LYS CE C 13 40.912 0.126 . . . . . . 75 LYS CE . 34010 1 687 . 1 1 76 76 LEU H H 1 8.090 0.002 . . . . . . 76 LEU H . 34010 1 688 . 1 1 76 76 LEU HA H 1 3.581 0.001 . . . . . . 76 LEU HA . 34010 1 689 . 1 1 76 76 LEU HB2 H 1 1.547 0.000 . . . . . . 76 LEU HB2 . 34010 1 690 . 1 1 76 76 LEU HB3 H 1 0.707 0.001 . . . . . . 76 LEU HB3 . 34010 1 691 . 1 1 76 76 LEU HG H 1 1.349 0.000 . . . . . . 76 LEU HG . 34010 1 692 . 1 1 76 76 LEU HD11 H 1 0.282 0.001 . . . . . . 76 LEU HD11 . 34010 1 693 . 1 1 76 76 LEU HD12 H 1 0.282 0.001 . . . . . . 76 LEU HD12 . 34010 1 694 . 1 1 76 76 LEU HD13 H 1 0.282 0.001 . . . . . . 76 LEU HD13 . 34010 1 695 . 1 1 76 76 LEU HD21 H 1 -0.194 0.000 . . . . . . 76 LEU HD21 . 34010 1 696 . 1 1 76 76 LEU HD22 H 1 -0.194 0.000 . . . . . . 76 LEU HD22 . 34010 1 697 . 1 1 76 76 LEU HD23 H 1 -0.194 0.000 . . . . . . 76 LEU HD23 . 34010 1 698 . 1 1 76 76 LEU CA C 13 57.166 0.000 . . . . . . 76 LEU CA . 34010 1 699 . 1 1 76 76 LEU CB C 13 39.696 0.000 . . . . . . 76 LEU CB . 34010 1 700 . 1 1 76 76 LEU CG C 13 25.720 0.000 . . . . . . 76 LEU CG . 34010 1 701 . 1 1 76 76 LEU CD1 C 13 25.021 0.000 . . . . . . 76 LEU CD1 . 34010 1 702 . 1 1 76 76 LEU CD2 C 13 20.362 0.000 . . . . . . 76 LEU CD2 . 34010 1 703 . 1 1 77 77 ALA H H 1 8.042 0.004 . . . . . . 77 ALA H . 34010 1 704 . 1 1 77 77 ALA HA H 1 3.978 0.005 . . . . . . 77 ALA HA . 34010 1 705 . 1 1 77 77 ALA HB1 H 1 1.424 0.000 . . . . . . 77 ALA HB1 . 34010 1 706 . 1 1 77 77 ALA HB2 H 1 1.424 0.000 . . . . . . 77 ALA HB2 . 34010 1 707 . 1 1 77 77 ALA HB3 H 1 1.424 0.000 . . . . . . 77 ALA HB3 . 34010 1 708 . 1 1 77 77 ALA CA C 13 54.604 0.000 . . . . . . 77 ALA CA . 34010 1 709 . 1 1 77 77 ALA CB C 13 17.353 0.000 . . . . . . 77 ALA CB . 34010 1 710 . 1 1 78 78 ALA H H 1 7.379 0.000 . . . . . . 78 ALA H . 34010 1 711 . 1 1 78 78 ALA HA H 1 4.152 0.004 . . . . . . 78 ALA HA . 34010 1 712 . 1 1 78 78 ALA HB1 H 1 1.464 0.005 . . . . . . 78 ALA HB1 . 34010 1 713 . 1 1 78 78 ALA HB2 H 1 1.464 0.005 . . . . . . 78 ALA HB2 . 34010 1 714 . 1 1 78 78 ALA HB3 H 1 1.464 0.005 . . . . . . 78 ALA HB3 . 34010 1 715 . 1 1 78 78 ALA CA C 13 54.049 0.000 . . . . . . 78 ALA CA . 34010 1 716 . 1 1 78 78 ALA CB C 13 17.520 0.000 . . . . . . 78 ALA CB . 34010 1 717 . 1 1 79 79 ILE H H 1 8.152 0.000 . . . . . . 79 ILE H . 34010 1 718 . 1 1 79 79 ILE HA H 1 3.787 0.000 . . . . . . 79 ILE HA . 34010 1 719 . 1 1 79 79 ILE HB H 1 1.807 0.000 . . . . . . 79 ILE HB . 34010 1 720 . 1 1 79 79 ILE HG12 H 1 1.791 0.007 . . . . . . 79 ILE HG12 . 34010 1 721 . 1 1 79 79 ILE HG13 H 1 1.041 0.004 . . . . . . 79 ILE HG13 . 34010 1 722 . 1 1 79 79 ILE HG21 H 1 0.896 0.000 . . . . . . 79 ILE HG21 . 34010 1 723 . 1 1 79 79 ILE HG22 H 1 0.896 0.000 . . . . . . 79 ILE HG22 . 34010 1 724 . 1 1 79 79 ILE HG23 H 1 0.896 0.000 . . . . . . 79 ILE HG23 . 34010 1 725 . 1 1 79 79 ILE HD11 H 1 0.571 0.003 . . . . . . 79 ILE HD11 . 34010 1 726 . 1 1 79 79 ILE HD12 H 1 0.571 0.003 . . . . . . 79 ILE HD12 . 34010 1 727 . 1 1 79 79 ILE HD13 H 1 0.571 0.003 . . . . . . 79 ILE HD13 . 34010 1 728 . 1 1 79 79 ILE CA C 13 63.921 0.000 . . . . . . 79 ILE CA . 34010 1 729 . 1 1 79 79 ILE CB C 13 38.310 0.037 . . . . . . 79 ILE CB . 34010 1 730 . 1 1 79 79 ILE CG1 C 13 28.968 0.053 . . . . . . 79 ILE CG1 . 34010 1 731 . 1 1 79 79 ILE CG2 C 13 17.520 0.000 . . . . . . 79 ILE CG2 . 34010 1 732 . 1 1 79 79 ILE CD1 C 13 13.840 0.000 . . . . . . 79 ILE CD1 . 34010 1 733 . 1 1 80 80 ALA H H 1 7.842 0.000 . . . . . . 80 ALA H . 34010 1 734 . 1 1 80 80 ALA HA H 1 4.443 0.000 . . . . . . 80 ALA HA . 34010 1 735 . 1 1 80 80 ALA HB1 H 1 1.506 0.002 . . . . . . 80 ALA HB1 . 34010 1 736 . 1 1 80 80 ALA HB2 H 1 1.506 0.002 . . . . . . 80 ALA HB2 . 34010 1 737 . 1 1 80 80 ALA HB3 H 1 1.506 0.002 . . . . . . 80 ALA HB3 . 34010 1 738 . 1 1 80 80 ALA CA C 13 51.110 0.000 . . . . . . 80 ALA CA . 34010 1 739 . 1 1 80 80 ALA CB C 13 19.681 0.053 . . . . . . 80 ALA CB . 34010 1 740 . 1 1 81 81 ALA H H 1 7.231 0.002 . . . . . . 81 ALA H . 34010 1 741 . 1 1 81 81 ALA HA H 1 4.438 0.004 . . . . . . 81 ALA HA . 34010 1 742 . 1 1 81 81 ALA HB1 H 1 1.443 0.006 . . . . . . 81 ALA HB1 . 34010 1 743 . 1 1 81 81 ALA HB2 H 1 1.443 0.006 . . . . . . 81 ALA HB2 . 34010 1 744 . 1 1 81 81 ALA HB3 H 1 1.443 0.006 . . . . . . 81 ALA HB3 . 34010 1 745 . 1 1 81 81 ALA CA C 13 51.809 0.000 . . . . . . 81 ALA CA . 34010 1 746 . 1 1 81 81 ALA CB C 13 16.868 0.000 . . . . . . 81 ALA CB . 34010 1 747 . 1 1 82 82 PRO HA H 1 4.675 0.008 . . . . . . 82 PRO HA . 34010 1 748 . 1 1 82 82 PRO HB2 H 1 2.468 0.005 . . . . . . 82 PRO HB2 . 34010 1 749 . 1 1 82 82 PRO HB3 H 1 1.985 0.004 . . . . . . 82 PRO HB3 . 34010 1 750 . 1 1 82 82 PRO HG2 H 1 1.907 0.004 . . . . . . 82 PRO HG2 . 34010 1 751 . 1 1 82 82 PRO HG3 H 1 1.664 0.006 . . . . . . 82 PRO HG3 . 34010 1 752 . 1 1 82 82 PRO HD2 H 1 3.492 0.004 . . . . . . 82 PRO HD2 . 34010 1 753 . 1 1 82 82 PRO HD3 H 1 3.400 0.004 . . . . . . 82 PRO HD3 . 34010 1 754 . 1 1 82 82 PRO CA C 13 62.903 0.000 . . . . . . 82 PRO CA . 34010 1 755 . 1 1 82 82 PRO CB C 13 32.259 2.246 . . . . . . 82 PRO CB . 34010 1 756 . 1 1 82 82 PRO CG C 13 23.571 0.000 . . . . . . 82 PRO CG . 34010 1 757 . 1 1 82 82 PRO CD C 13 49.013 0.000 . . . . . . 82 PRO CD . 34010 1 758 . 1 1 83 83 ALA H H 1 8.500 0.000 . . . . . . 83 ALA H . 34010 1 759 . 1 1 83 83 ALA HA H 1 4.132 0.004 . . . . . . 83 ALA HA . 34010 1 760 . 1 1 83 83 ALA HB1 H 1 1.350 0.000 . . . . . . 83 ALA HB1 . 34010 1 761 . 1 1 83 83 ALA HB2 H 1 1.350 0.000 . . . . . . 83 ALA HB2 . 34010 1 762 . 1 1 83 83 ALA HB3 H 1 1.350 0.000 . . . . . . 83 ALA HB3 . 34010 1 763 . 1 1 83 83 ALA CA C 13 52.973 0.000 . . . . . . 83 ALA CA . 34010 1 764 . 1 1 83 83 ALA CB C 13 19.198 0.000 . . . . . . 83 ALA CB . 34010 1 765 . 1 1 84 84 GLU H H 1 8.148 0.000 . . . . . . 84 GLU H . 34010 1 766 . 1 1 84 84 GLU HA H 1 4.214 0.000 . . . . . . 84 GLU HA . 34010 1 767 . 1 1 84 84 GLU HB2 H 1 2.130 0.005 . . . . . . 84 GLU HB2 . 34010 1 768 . 1 1 84 84 GLU HB3 H 1 1.966 0.005 . . . . . . 84 GLU HB3 . 34010 1 769 . 1 1 84 84 GLU HG2 H 1 2.190 0.004 . . . . . . 84 GLU HG2 . 34010 1 770 . 1 1 84 84 GLU HG3 H 1 2.164 0.004 . . . . . . 84 GLU HG3 . 34010 1 771 . 1 1 84 84 GLU CA C 13 55.937 0.000 . . . . . . 84 GLU CA . 34010 1 772 . 1 1 84 84 GLU CB C 13 30.213 0.000 . . . . . . 84 GLU CB . 34010 1 773 . 1 1 84 84 GLU CG C 13 36.202 0.000 . . . . . . 84 GLU CG . 34010 1 774 . 1 1 85 85 ILE H H 1 7.892 0.006 . . . . . . 85 ILE H . 34010 1 775 . 1 1 85 85 ILE HA H 1 5.257 0.000 . . . . . . 85 ILE HA . 34010 1 776 . 1 1 85 85 ILE HB H 1 1.703 0.002 . . . . . . 85 ILE HB . 34010 1 777 . 1 1 85 85 ILE HG12 H 1 1.445 0.004 . . . . . . 85 ILE HG12 . 34010 1 778 . 1 1 85 85 ILE HG21 H 1 0.894 0.004 . . . . . . 85 ILE HG21 . 34010 1 779 . 1 1 85 85 ILE HG22 H 1 0.894 0.004 . . . . . . 85 ILE HG22 . 34010 1 780 . 1 1 85 85 ILE HG23 H 1 0.894 0.004 . . . . . . 85 ILE HG23 . 34010 1 781 . 1 1 85 85 ILE HD11 H 1 0.794 0.004 . . . . . . 85 ILE HD11 . 34010 1 782 . 1 1 85 85 ILE HD12 H 1 0.794 0.004 . . . . . . 85 ILE HD12 . 34010 1 783 . 1 1 85 85 ILE HD13 H 1 0.794 0.004 . . . . . . 85 ILE HD13 . 34010 1 784 . 1 1 85 85 ILE CA C 13 58.564 0.000 . . . . . . 85 ILE CA . 34010 1 785 . 1 1 85 85 ILE CB C 13 40.162 0.000 . . . . . . 85 ILE CB . 34010 1 786 . 1 1 85 85 ILE CG1 C 13 26.151 0.046 . . . . . . 85 ILE CG1 . 34010 1 787 . 1 1 85 85 ILE CG2 C 13 19.224 0.090 . . . . . . 85 ILE CG2 . 34010 1 788 . 1 1 85 85 ILE CD1 C 13 15.471 0.000 . . . . . . 85 ILE CD1 . 34010 1 789 . 1 1 86 86 PHE H H 1 9.005 0.006 . . . . . . 86 PHE H . 34010 1 790 . 1 1 86 86 PHE HA H 1 5.384 0.000 . . . . . . 86 PHE HA . 34010 1 791 . 1 1 86 86 PHE HB2 H 1 2.856 0.008 . . . . . . 86 PHE HB2 . 34010 1 792 . 1 1 86 86 PHE HB3 H 1 2.620 0.004 . . . . . . 86 PHE HB3 . 34010 1 793 . 1 1 86 86 PHE HD1 H 1 6.932 0.001 . . . . . . 86 PHE HD1 . 34010 1 794 . 1 1 86 86 PHE HD2 H 1 6.932 0.001 . . . . . . 86 PHE HD2 . 34010 1 795 . 1 1 86 86 PHE HE1 H 1 7.013 0.000 . . . . . . 86 PHE HE1 . 34010 1 796 . 1 1 86 86 PHE HE2 H 1 7.013 0.000 . . . . . . 86 PHE HE2 . 34010 1 797 . 1 1 86 86 PHE HZ H 1 7.147 0.004 . . . . . . 86 PHE HZ . 34010 1 798 . 1 1 86 86 PHE CA C 13 54.509 0.000 . . . . . . 86 PHE CA . 34010 1 799 . 1 1 86 86 PHE CB C 13 42.860 0.050 . . . . . . 86 PHE CB . 34010 1 800 . 1 1 86 86 PHE CD1 C 13 131.705 0.000 . . . . . . 86 PHE CD1 . 34010 1 801 . 1 1 86 86 PHE CE1 C 13 129.467 0.000 . . . . . . 86 PHE CE1 . 34010 1 802 . 1 1 86 86 PHE CZ C 13 128.962 0.000 . . . . . . 86 PHE CZ . 34010 1 803 . 1 1 87 87 LEU H H 1 8.804 0.002 . . . . . . 87 LEU H . 34010 1 804 . 1 1 87 87 LEU HA H 1 5.312 0.000 . . . . . . 87 LEU HA . 34010 1 805 . 1 1 87 87 LEU HB2 H 1 1.831 0.003 . . . . . . 87 LEU HB2 . 34010 1 806 . 1 1 87 87 LEU HB3 H 1 1.458 0.000 . . . . . . 87 LEU HB3 . 34010 1 807 . 1 1 87 87 LEU HG H 1 1.611 0.000 . . . . . . 87 LEU HG . 34010 1 808 . 1 1 87 87 LEU HD11 H 1 0.846 0.000 . . . . . . 87 LEU HD11 . 34010 1 809 . 1 1 87 87 LEU HD12 H 1 0.846 0.000 . . . . . . 87 LEU HD12 . 34010 1 810 . 1 1 87 87 LEU HD13 H 1 0.846 0.000 . . . . . . 87 LEU HD13 . 34010 1 811 . 1 1 87 87 LEU HD21 H 1 0.790 0.000 . . . . . . 87 LEU HD21 . 34010 1 812 . 1 1 87 87 LEU HD22 H 1 0.790 0.000 . . . . . . 87 LEU HD22 . 34010 1 813 . 1 1 87 87 LEU HD23 H 1 0.790 0.000 . . . . . . 87 LEU HD23 . 34010 1 814 . 1 1 87 87 LEU CA C 13 52.042 0.000 . . . . . . 87 LEU CA . 34010 1 815 . 1 1 87 87 LEU CB C 13 42.712 0.052 . . . . . . 87 LEU CB . 34010 1 816 . 1 1 87 87 LEU CG C 13 26.419 0.000 . . . . . . 87 LEU CG . 34010 1 817 . 1 1 87 87 LEU CD1 C 13 23.623 0.000 . . . . . . 87 LEU CD1 . 34010 1 818 . 1 1 87 87 LEU CD2 C 13 24.788 0.000 . . . . . . 87 LEU CD2 . 34010 1 819 . 1 1 88 88 LEU H H 1 8.248 0.003 . . . . . . 88 LEU H . 34010 1 820 . 1 1 88 88 LEU HA H 1 4.444 0.000 . . . . . . 88 LEU HA . 34010 1 821 . 1 1 88 88 LEU HB2 H 1 2.019 0.000 . . . . . . 88 LEU HB2 . 34010 1 822 . 1 1 88 88 LEU HB3 H 1 0.992 0.000 . . . . . . 88 LEU HB3 . 34010 1 823 . 1 1 88 88 LEU HG H 1 1.609 0.000 . . . . . . 88 LEU HG . 34010 1 824 . 1 1 88 88 LEU HD11 H 1 0.842 0.000 . . . . . . 88 LEU HD11 . 34010 1 825 . 1 1 88 88 LEU HD12 H 1 0.842 0.000 . . . . . . 88 LEU HD12 . 34010 1 826 . 1 1 88 88 LEU HD13 H 1 0.842 0.000 . . . . . . 88 LEU HD13 . 34010 1 827 . 1 1 88 88 LEU HD21 H 1 0.525 0.000 . . . . . . 88 LEU HD21 . 34010 1 828 . 1 1 88 88 LEU HD22 H 1 0.525 0.000 . . . . . . 88 LEU HD22 . 34010 1 829 . 1 1 88 88 LEU HD23 H 1 0.525 0.000 . . . . . . 88 LEU HD23 . 34010 1 830 . 1 1 88 88 LEU CA C 13 54.331 0.000 . . . . . . 88 LEU CA . 34010 1 831 . 1 1 88 88 LEU CB C 13 42.957 0.000 . . . . . . 88 LEU CB . 34010 1 832 . 1 1 88 88 LEU CG C 13 25.254 0.000 . . . . . . 88 LEU CG . 34010 1 833 . 1 1 88 88 LEU CD1 C 13 23.856 0.000 . . . . . . 88 LEU CD1 . 34010 1 834 . 1 1 88 88 LEU CD2 C 13 26.092 0.000 . . . . . . 88 LEU CD2 . 34010 1 835 . 1 1 91 91 GLY H H 1 7.693 0.002 . . . . . . 91 GLY H . 34010 1 836 . 1 1 91 91 GLY HA2 H 1 3.734 0.000 . . . . . . 91 GLY HA2 . 34010 1 837 . 1 1 91 91 GLY CA C 13 46.263 0.000 . . . . . . 91 GLY CA . 34010 1 838 . 1 1 92 92 ILE H H 1 8.242 0.003 . . . . . . 92 ILE H . 34010 1 839 . 1 1 92 92 ILE HA H 1 3.870 0.000 . . . . . . 92 ILE HA . 34010 1 840 . 1 1 92 92 ILE HB H 1 1.549 0.000 . . . . . . 92 ILE HB . 34010 1 841 . 1 1 92 92 ILE HG12 H 1 1.264 0.001 . . . . . . 92 ILE HG12 . 34010 1 842 . 1 1 92 92 ILE HG13 H 1 1.139 0.007 . . . . . . 92 ILE HG13 . 34010 1 843 . 1 1 92 92 ILE HG21 H 1 1.196 0.000 . . . . . . 92 ILE HG21 . 34010 1 844 . 1 1 92 92 ILE HG22 H 1 1.196 0.000 . . . . . . 92 ILE HG22 . 34010 1 845 . 1 1 92 92 ILE HG23 H 1 1.196 0.000 . . . . . . 92 ILE HG23 . 34010 1 846 . 1 1 92 92 ILE HD11 H 1 0.758 0.004 . . . . . . 92 ILE HD11 . 34010 1 847 . 1 1 92 92 ILE HD12 H 1 0.758 0.004 . . . . . . 92 ILE HD12 . 34010 1 848 . 1 1 92 92 ILE HD13 H 1 0.758 0.004 . . . . . . 92 ILE HD13 . 34010 1 849 . 1 1 92 92 ILE CA C 13 63.222 0.000 . . . . . . 92 ILE CA . 34010 1 850 . 1 1 92 92 ILE CB C 13 38.065 0.000 . . . . . . 92 ILE CB . 34010 1 851 . 1 1 92 92 ILE CG1 C 13 29.447 0.000 . . . . . . 92 ILE CG1 . 34010 1 852 . 1 1 92 92 ILE CG2 C 13 16.635 0.000 . . . . . . 92 ILE CG2 . 34010 1 853 . 1 1 92 92 ILE CD1 C 13 14.330 0.062 . . . . . . 92 ILE CD1 . 34010 1 854 . 1 1 93 93 ASP H H 1 9.105 0.005 . . . . . . 93 ASP H . 34010 1 855 . 1 1 93 93 ASP HA H 1 4.488 0.004 . . . . . . 93 ASP HA . 34010 1 856 . 1 1 93 93 ASP HB2 H 1 3.025 0.000 . . . . . . 93 ASP HB2 . 34010 1 857 . 1 1 93 93 ASP HB3 H 1 2.676 0.004 . . . . . . 93 ASP HB3 . 34010 1 858 . 1 1 93 93 ASP CA C 13 57.166 0.000 . . . . . . 93 ASP CA . 34010 1 859 . 1 1 93 93 ASP CB C 13 38.764 0.000 . . . . . . 93 ASP CB . 34010 1 860 . 1 1 94 94 GLY H H 1 8.060 0.000 . . . . . . 94 GLY H . 34010 1 861 . 1 1 94 94 GLY HA2 H 1 3.883 0.004 . . . . . . 94 GLY HA2 . 34010 1 862 . 1 1 94 94 GLY CA C 13 44.750 0.000 . . . . . . 94 GLY CA . 34010 1 863 . 1 1 95 95 TRP H H 1 7.897 0.000 . . . . . . 95 TRP H . 34010 1 864 . 1 1 95 95 TRP HA H 1 3.791 0.007 . . . . . . 95 TRP HA . 34010 1 865 . 1 1 95 95 TRP HB2 H 1 2.910 0.001 . . . . . . 95 TRP HB2 . 34010 1 866 . 1 1 95 95 TRP HB3 H 1 2.909 0.000 . . . . . . 95 TRP HB3 . 34010 1 867 . 1 1 95 95 TRP HD1 H 1 6.412 0.000 . . . . . . 95 TRP HD1 . 34010 1 868 . 1 1 95 95 TRP HE1 H 1 10.467 0.008 . . . . . . 95 TRP HE1 . 34010 1 869 . 1 1 95 95 TRP HE3 H 1 7.038 0.003 . . . . . . 95 TRP HE3 . 34010 1 870 . 1 1 95 95 TRP HZ2 H 1 7.435 0.001 . . . . . . 95 TRP HZ2 . 34010 1 871 . 1 1 95 95 TRP HZ3 H 1 6.727 0.003 . . . . . . 95 TRP HZ3 . 34010 1 872 . 1 1 95 95 TRP HH2 H 1 6.854 0.000 . . . . . . 95 TRP HH2 . 34010 1 873 . 1 1 95 95 TRP CA C 13 61.126 0.000 . . . . . . 95 TRP CA . 34010 1 874 . 1 1 95 95 TRP CB C 13 28.981 0.000 . . . . . . 95 TRP CB . 34010 1 875 . 1 1 95 95 TRP CD1 C 13 126.115 0.000 . . . . . . 95 TRP CD1 . 34010 1 876 . 1 1 95 95 TRP CZ2 C 13 115.633 0.000 . . . . . . 95 TRP CZ2 . 34010 1 877 . 1 1 96 96 LYS H H 1 8.649 0.002 . . . . . . 96 LYS H . 34010 1 878 . 1 1 96 96 LYS HA H 1 4.084 0.003 . . . . . . 96 LYS HA . 34010 1 879 . 1 1 96 96 LYS HB2 H 1 1.902 0.005 . . . . . . 96 LYS HB2 . 34010 1 880 . 1 1 96 96 LYS HG2 H 1 1.758 0.001 . . . . . . 96 LYS HG2 . 34010 1 881 . 1 1 96 96 LYS HG3 H 1 1.500 0.005 . . . . . . 96 LYS HG3 . 34010 1 882 . 1 1 96 96 LYS CA C 13 59.091 0.000 . . . . . . 96 LYS CA . 34010 1 883 . 1 1 96 96 LYS CB C 13 31.623 0.000 . . . . . . 96 LYS CB . 34010 1 884 . 1 1 97 97 LYS H H 1 8.233 0.000 . . . . . . 97 LYS H . 34010 1 885 . 1 1 97 97 LYS HA H 1 4.032 0.001 . . . . . . 97 LYS HA . 34010 1 886 . 1 1 97 97 LYS HB2 H 1 1.945 0.002 . . . . . . 97 LYS HB2 . 34010 1 887 . 1 1 97 97 LYS CA C 13 58.797 0.000 . . . . . . 97 LYS CA . 34010 1 888 . 1 1 97 97 LYS CB C 13 31.776 0.000 . . . . . . 97 LYS CB . 34010 1 889 . 1 1 98 98 ALA H H 1 7.484 0.000 . . . . . . 98 ALA H . 34010 1 890 . 1 1 98 98 ALA HA H 1 4.250 0.000 . . . . . . 98 ALA HA . 34010 1 891 . 1 1 98 98 ALA HB1 H 1 1.267 0.000 . . . . . . 98 ALA HB1 . 34010 1 892 . 1 1 98 98 ALA HB2 H 1 1.267 0.000 . . . . . . 98 ALA HB2 . 34010 1 893 . 1 1 98 98 ALA HB3 H 1 1.267 0.000 . . . . . . 98 ALA HB3 . 34010 1 894 . 1 1 98 98 ALA CA C 13 51.576 0.000 . . . . . . 98 ALA CA . 34010 1 895 . 1 1 98 98 ALA CB C 13 17.744 0.000 . . . . . . 98 ALA CB . 34010 1 896 . 1 1 99 99 GLY H H 1 7.891 0.003 . . . . . . 99 GLY H . 34010 1 897 . 1 1 99 99 GLY HA2 H 1 3.988 0.006 . . . . . . 99 GLY HA2 . 34010 1 898 . 1 1 99 99 GLY CA C 13 44.246 0.000 . . . . . . 99 GLY CA . 34010 1 899 . 1 1 100 100 LEU H H 1 6.971 0.000 . . . . . . 100 LEU H . 34010 1 900 . 1 1 100 100 LEU HA H 1 4.278 0.002 . . . . . . 100 LEU HA . 34010 1 901 . 1 1 100 100 LEU HB2 H 1 0.294 0.000 . . . . . . 100 LEU HB2 . 34010 1 902 . 1 1 100 100 LEU HG H 1 0.684 0.000 . . . . . . 100 LEU HG . 34010 1 903 . 1 1 100 100 LEU HD11 H 1 0.261 0.033 . . . . . . 100 LEU HD11 . 34010 1 904 . 1 1 100 100 LEU HD12 H 1 0.261 0.033 . . . . . . 100 LEU HD12 . 34010 1 905 . 1 1 100 100 LEU HD13 H 1 0.261 0.033 . . . . . . 100 LEU HD13 . 34010 1 906 . 1 1 100 100 LEU CA C 13 52.748 0.023 . . . . . . 100 LEU CA . 34010 1 907 . 1 1 100 100 LEU CB C 13 36.657 0.028 . . . . . . 100 LEU CB . 34010 1 908 . 1 1 100 100 LEU CG C 13 25.953 0.000 . . . . . . 100 LEU CG . 34010 1 909 . 1 1 100 100 LEU CD1 C 13 21.294 0.000 . . . . . . 100 LEU CD1 . 34010 1 910 . 1 1 100 100 LEU CD2 C 13 23.608 0.068 . . . . . . 100 LEU CD2 . 34010 1 911 . 1 1 101 101 PRO HA H 1 4.475 0.000 . . . . . . 101 PRO HA . 34010 1 912 . 1 1 101 101 PRO HB2 H 1 2.312 0.004 . . . . . . 101 PRO HB2 . 34010 1 913 . 1 1 101 101 PRO HB3 H 1 1.863 0.005 . . . . . . 101 PRO HB3 . 34010 1 914 . 1 1 101 101 PRO HG2 H 1 2.147 0.004 . . . . . . 101 PRO HG2 . 34010 1 915 . 1 1 101 101 PRO HG3 H 1 1.995 0.006 . . . . . . 101 PRO HG3 . 34010 1 916 . 1 1 101 101 PRO HD2 H 1 3.674 0.000 . . . . . . 101 PRO HD2 . 34010 1 917 . 1 1 101 101 PRO HD3 H 1 3.532 0.000 . . . . . . 101 PRO HD3 . 34010 1 918 . 1 1 101 101 PRO CA C 13 63.455 0.000 . . . . . . 101 PRO CA . 34010 1 919 . 1 1 101 101 PRO CB C 13 32.184 1.358 . . . . . . 101 PRO CB . 34010 1 920 . 1 1 101 101 PRO CG C 13 27.100 0.068 . . . . . . 101 PRO CG . 34010 1 921 . 1 1 101 101 PRO CD C 13 50.178 0.000 . . . . . . 101 PRO CD . 34010 1 922 . 1 1 102 102 VAL H H 1 7.994 0.001 . . . . . . 102 VAL H . 34010 1 923 . 1 1 102 102 VAL HA H 1 4.593 0.006 . . . . . . 102 VAL HA . 34010 1 924 . 1 1 102 102 VAL HB H 1 1.811 0.000 . . . . . . 102 VAL HB . 34010 1 925 . 1 1 102 102 VAL HG11 H 1 0.786 0.000 . . . . . . 102 VAL HG11 . 34010 1 926 . 1 1 102 102 VAL HG12 H 1 0.786 0.000 . . . . . . 102 VAL HG12 . 34010 1 927 . 1 1 102 102 VAL HG13 H 1 0.786 0.000 . . . . . . 102 VAL HG13 . 34010 1 928 . 1 1 102 102 VAL HG21 H 1 0.786 0.000 . . . . . . 102 VAL HG21 . 34010 1 929 . 1 1 102 102 VAL HG22 H 1 0.786 0.000 . . . . . . 102 VAL HG22 . 34010 1 930 . 1 1 102 102 VAL HG23 H 1 0.786 0.000 . . . . . . 102 VAL HG23 . 34010 1 931 . 1 1 102 102 VAL CA C 13 59.003 0.060 . . . . . . 102 VAL CA . 34010 1 932 . 1 1 102 102 VAL CB C 13 35.503 0.000 . . . . . . 102 VAL CB . 34010 1 933 . 1 1 102 102 VAL CG1 C 13 18.033 0.000 . . . . . . 102 VAL CG1 . 34010 1 934 . 1 1 103 103 ALA H H 1 8.958 0.003 . . . . . . 103 ALA H . 34010 1 935 . 1 1 103 103 ALA HA H 1 4.526 0.000 . . . . . . 103 ALA HA . 34010 1 936 . 1 1 103 103 ALA HB1 H 1 0.646 0.001 . . . . . . 103 ALA HB1 . 34010 1 937 . 1 1 103 103 ALA HB2 H 1 0.646 0.001 . . . . . . 103 ALA HB2 . 34010 1 938 . 1 1 103 103 ALA HB3 H 1 0.646 0.001 . . . . . . 103 ALA HB3 . 34010 1 939 . 1 1 103 103 ALA CA C 13 49.945 0.000 . . . . . . 103 ALA CA . 34010 1 940 . 1 1 103 103 ALA CB C 13 18.732 0.000 . . . . . . 103 ALA CB . 34010 1 941 . 1 1 104 104 VAL H H 1 8.243 0.000 . . . . . . 104 VAL H . 34010 1 942 . 1 1 104 104 VAL HA H 1 4.557 0.003 . . . . . . 104 VAL HA . 34010 1 943 . 1 1 104 104 VAL HB H 1 2.047 0.000 . . . . . . 104 VAL HB . 34010 1 944 . 1 1 104 104 VAL HG11 H 1 0.930 0.001 . . . . . . 104 VAL HG11 . 34010 1 945 . 1 1 104 104 VAL HG12 H 1 0.930 0.001 . . . . . . 104 VAL HG12 . 34010 1 946 . 1 1 104 104 VAL HG13 H 1 0.930 0.001 . . . . . . 104 VAL HG13 . 34010 1 947 . 1 1 104 104 VAL HG21 H 1 0.866 0.004 . . . . . . 104 VAL HG21 . 34010 1 948 . 1 1 104 104 VAL HG22 H 1 0.866 0.004 . . . . . . 104 VAL HG22 . 34010 1 949 . 1 1 104 104 VAL HG23 H 1 0.866 0.004 . . . . . . 104 VAL HG23 . 34010 1 950 . 1 1 104 104 VAL CA C 13 59.495 0.000 . . . . . . 104 VAL CA . 34010 1 951 . 1 1 104 104 VAL CB C 13 33.884 0.000 . . . . . . 104 VAL CB . 34010 1 952 . 1 1 104 104 VAL CG1 C 13 20.828 0.000 . . . . . . 104 VAL CG1 . 34010 1 953 . 1 1 104 104 VAL CG2 C 13 19.380 0.096 . . . . . . 104 VAL CG2 . 34010 1 954 . 1 1 105 105 ASN H H 1 8.145 0.001 . . . . . . 105 ASN H . 34010 1 955 . 1 1 105 105 ASN HA H 1 4.726 0.000 . . . . . . 105 ASN HA . 34010 1 956 . 1 1 105 105 ASN HB2 H 1 2.913 0.001 . . . . . . 105 ASN HB2 . 34010 1 957 . 1 1 105 105 ASN HB3 H 1 2.705 0.000 . . . . . . 105 ASN HB3 . 34010 1 958 . 1 1 105 105 ASN CA C 13 53.200 0.000 . . . . . . 105 ASN CA . 34010 1 959 . 1 1 105 105 ASN CB C 13 38.764 0.000 . . . . . . 105 ASN CB . 34010 1 960 . 1 1 107 107 SER HA H 1 4.766 0.012 . . . . . . 107 SER HA . 34010 1 961 . 1 1 107 107 SER HB2 H 1 4.314 0.005 . . . . . . 107 SER HB2 . 34010 1 962 . 1 1 107 107 SER HB3 H 1 4.056 0.011 . . . . . . 107 SER HB3 . 34010 1 963 . 1 1 107 107 SER CA C 13 56.717 0.000 . . . . . . 107 SER CA . 34010 1 964 . 1 1 107 107 SER CB C 13 62.579 0.000 . . . . . . 107 SER CB . 34010 1 stop_ save_