data_51725 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51725 _Entry.Title ; Ubiquitin-T12C (apo) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-12-09 _Entry.Accession_date 2022-12-09 _Entry.Last_release_date 2022-12-09 _Entry.Original_release_date 2022-12-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Philipp Hartmann . . . . 51725 2 Kostiantyn Bohdan . . . . 51725 3 Moritz Hommrich . . . . 51725 4 Fabio Julia . . . . 51725 5 Lara Vogelsang . . . . 51725 6 Jurgen Eirich . . . . 51725 7 Rene Zang . . . . 51725 8 Christophe Fares . . . 0000-0001-6709-5057 51725 9 Lingnau Julia . B. . . 51725 10 Dwaipayan Mukhopadhyay . . . . 51725 11 Johanna Mengeler . M. . . 51725 12 Alessandro Vetere . . . . 51725 13 Heike Hinrichs . . . . 51725 14 Stefan Becker . . . . 51725 15 Nina Morgner . . . . 51725 16 Wolfgang Schrader . . . . 51725 17 Iris Finkemeier . . . . 51725 18 Karl-Josef Dietz . . . . 51725 19 Christian Griesinger . . . . 51725 20 Tobias Ritter . . . 0000-0002-6957-450X 51725 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Max-Planck-Institut fur Kohlenforschung' . 51725 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51725 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 51725 '15N chemical shifts' 78 51725 '1H chemical shifts' 536 51725 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 . . 2024-03-08 2022-12-09 update BMRB 'update entry citation' 51725 1 . . 2023-12-15 2022-12-09 original author 'original release' 51725 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51721 'ethyl-azide-tagged Ubiquitin-T12C' 51725 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51725 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38123842 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Chemoselective umpolung of thiols to episulfoniums for cysteine bioconjugation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem.' _Citation.Journal_name_full 'Nature chemistry' _Citation.Journal_volume 16 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1755-4349 _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 380 _Citation.Page_last 388 _Citation.Year 2024 _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 Philipp Hartmann P. . . . 51725 1 2 Kostiantyn Bohdan K. . . . 51725 1 3 Moritz Hommrich M. . . . 51725 1 4 Fabio Julia F. . . . 51725 1 5 Lara Vogelsang L. . . . 51725 1 6 Jurgen Eirich J. . . . 51725 1 7 Rene Zangl R. . . . 51725 1 8 Christophe Fares C. . . . 51725 1 9 'Julia Beatrice' Jacobs J. B. . . 51725 1 10 Dwaipayan Mukhopadhyay D. . . . 51725 1 11 'Johanna Marie' Mengeler J. M. . . 51725 1 12 Alessandro Vetere A. . . . 51725 1 13 'Marie Sophie' Sterling M. S. . . 51725 1 14 Heike Hinrichs H. . . . 51725 1 15 Stefan Becker S. . . . 51725 1 16 Nina Morgner N. . . . 51725 1 17 Wolfgang Schrader W. . . . 51725 1 18 Iris Finkemeier I. . . . 51725 1 19 Karl-Josef Dietz K. J. . . 51725 1 20 Christian Griesinger C. . . . 51725 1 21 Tobias Ritter T. . . . 51725 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51725 _Assembly.ID 1 _Assembly.Name 'Ubiquitin-T12C (apo)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 Ubiquitin-T12C 1 $entity_1 . . yes native no no . . . 51725 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51725 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQIFVKTLTGKCITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'no tag' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID none 51725 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51725 1 2 . GLN . 51725 1 3 . ILE . 51725 1 4 . PHE . 51725 1 5 . VAL . 51725 1 6 . LYS . 51725 1 7 . THR . 51725 1 8 . LEU . 51725 1 9 . THR . 51725 1 10 . GLY . 51725 1 11 . LYS . 51725 1 12 . CYS . 51725 1 13 . ILE . 51725 1 14 . THR . 51725 1 15 . LEU . 51725 1 16 . GLU . 51725 1 17 . VAL . 51725 1 18 . GLU . 51725 1 19 . PRO . 51725 1 20 . SER . 51725 1 21 . ASP . 51725 1 22 . THR . 51725 1 23 . ILE . 51725 1 24 . GLU . 51725 1 25 . ASN . 51725 1 26 . VAL . 51725 1 27 . LYS . 51725 1 28 . ALA . 51725 1 29 . LYS . 51725 1 30 . ILE . 51725 1 31 . GLN . 51725 1 32 . ASP . 51725 1 33 . LYS . 51725 1 34 . GLU . 51725 1 35 . GLY . 51725 1 36 . ILE . 51725 1 37 . PRO . 51725 1 38 . PRO . 51725 1 39 . ASP . 51725 1 40 . GLN . 51725 1 41 . GLN . 51725 1 42 . ARG . 51725 1 43 . LEU . 51725 1 44 . ILE . 51725 1 45 . PHE . 51725 1 46 . ALA . 51725 1 47 . GLY . 51725 1 48 . LYS . 51725 1 49 . GLN . 51725 1 50 . LEU . 51725 1 51 . GLU . 51725 1 52 . ASP . 51725 1 53 . GLY . 51725 1 54 . ARG . 51725 1 55 . THR . 51725 1 56 . LEU . 51725 1 57 . SER . 51725 1 58 . ASP . 51725 1 59 . TYR . 51725 1 60 . ASN . 51725 1 61 . ILE . 51725 1 62 . GLN . 51725 1 63 . LYS . 51725 1 64 . GLU . 51725 1 65 . SER . 51725 1 66 . THR . 51725 1 67 . LEU . 51725 1 68 . HIS . 51725 1 69 . LEU . 51725 1 70 . VAL . 51725 1 71 . LEU . 51725 1 72 . ARG . 51725 1 73 . LEU . 51725 1 74 . ARG . 51725 1 75 . GLY . 51725 1 76 . GLY . 51725 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51725 1 . GLN 2 2 51725 1 . ILE 3 3 51725 1 . PHE 4 4 51725 1 . VAL 5 5 51725 1 . LYS 6 6 51725 1 . THR 7 7 51725 1 . LEU 8 8 51725 1 . THR 9 9 51725 1 . GLY 10 10 51725 1 . LYS 11 11 51725 1 . CYS 12 12 51725 1 . ILE 13 13 51725 1 . THR 14 14 51725 1 . LEU 15 15 51725 1 . GLU 16 16 51725 1 . VAL 17 17 51725 1 . GLU 18 18 51725 1 . PRO 19 19 51725 1 . SER 20 20 51725 1 . ASP 21 21 51725 1 . THR 22 22 51725 1 . ILE 23 23 51725 1 . GLU 24 24 51725 1 . ASN 25 25 51725 1 . VAL 26 26 51725 1 . LYS 27 27 51725 1 . ALA 28 28 51725 1 . LYS 29 29 51725 1 . ILE 30 30 51725 1 . GLN 31 31 51725 1 . ASP 32 32 51725 1 . LYS 33 33 51725 1 . GLU 34 34 51725 1 . GLY 35 35 51725 1 . ILE 36 36 51725 1 . PRO 37 37 51725 1 . PRO 38 38 51725 1 . ASP 39 39 51725 1 . GLN 40 40 51725 1 . GLN 41 41 51725 1 . ARG 42 42 51725 1 . LEU 43 43 51725 1 . ILE 44 44 51725 1 . PHE 45 45 51725 1 . ALA 46 46 51725 1 . GLY 47 47 51725 1 . LYS 48 48 51725 1 . GLN 49 49 51725 1 . LEU 50 50 51725 1 . GLU 51 51 51725 1 . ASP 52 52 51725 1 . GLY 53 53 51725 1 . ARG 54 54 51725 1 . THR 55 55 51725 1 . LEU 56 56 51725 1 . SER 57 57 51725 1 . ASP 58 58 51725 1 . TYR 59 59 51725 1 . ASN 60 60 51725 1 . ILE 61 61 51725 1 . GLN 62 62 51725 1 . LYS 63 63 51725 1 . GLU 64 64 51725 1 . SER 65 65 51725 1 . THR 66 66 51725 1 . LEU 67 67 51725 1 . HIS 68 68 51725 1 . LEU 69 69 51725 1 . VAL 70 70 51725 1 . LEU 71 71 51725 1 . ARG 72 72 51725 1 . LEU 73 73 51725 1 . ARG 74 74 51725 1 . GLY 75 75 51725 1 . GLY 76 76 51725 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51725 _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 BL21DE3/pLysS . . . . . . . . . . . . 51725 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51725 _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' . . . Escherichia coli BL21DE3/pLysS . . plasmid . . p'AED . . . 51725 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51725 _Sample.ID 1 _Sample.Name Ubiquitin-T12C _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human Ubiquitin T12C' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 0.4 1 mM . . . . 51725 1 2 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 51725 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51725 1 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 51725 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 51725 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'standard condition' _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' 0.05 . M 51725 1 pH 7 . pH 51725 1 pressure 1 . atm 51725 1 temperature 298 . K 51725 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51725 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51725 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51725 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data collection, 2D-processing' . 51725 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51725 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version 11 _Software.DOI . _Software.Details 'NMRPipe System Version 11.0 Rev 2022.193.18.59 64-bit' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 3D-Processing . 51725 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 51725 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name AV600III _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51725 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51725 1 2 '2D 1H-15N HSQC' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51725 1 3 '3D HNCO' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51725 1 4 '3D HNCA' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51725 1 5 '3D CBCA(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51725 1 6 '3D HBHA(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51725 1 7 '3D C(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51725 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-13C HSQC' HBC-HA-386-01.zip . 'NMR experiment directory' . 6/ 51725 1 2 '2D 1H-15N HSQC' HBC-HA-386-01.zip . 'NMR experiment directory' . 5/ 51725 1 3 '3D HNCO' HBC-HA-386-01.zip . 'NMR experiment directory' . 7/ 51725 1 4 '3D HNCA' HBC-HA-386-01.zip . 'NMR experiment directory' . 8/ 51725 1 5 '3D CBCA(CO)NH' HBC-HA-386-01.zip . 'NMR experiment directory' . 10/ 51725 1 6 '3D HBHA(CO)NH' HBC-HA-386-01.zip . 'NMR experiment directory' . 34/ 51725 1 7 '3D C(CO)NH' HBC-HA-386-01.zip . 'NMR experiment directory' . 12/ 51725 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 51725 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'main set' _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 carbon' . . . . ppm 0 internal direct 1 . . . . . 51725 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51725 1 N 15 DSS nitrogen . . . . ppm 0 na direct 1 . . . . . 51725 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51725 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name UBQT12C _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 51725 1 2 '2D 1H-15N HSQC' . . . 51725 1 3 '3D HNCO' . . . 51725 1 4 '3D HNCA' . . . 51725 1 5 '3D CBCA(CO)NH' . . . 51725 1 6 '3D HBHA(CO)NH' . . . 51725 1 7 '3D C(CO)NH' . . . 51725 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51725 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.203 0.00 . 1 . . . . . 1 MET HA . 51725 1 2 . 1 . 1 1 1 MET HB2 H 1 2.046 0.00 . 1 . . . . . 1 MET HB2 . 51725 1 3 . 1 . 1 1 1 MET HB3 H 1 2.101 0.00 . 1 . . . . . 1 MET HB3 . 51725 1 4 . 1 . 1 1 1 MET HG2 H 1 2.532 0.00 . 1 . . . . . 1 MET HG2 . 51725 1 5 . 1 . 1 1 1 MET HG3 H 1 1.958 0.00 . 1 . . . . . 1 MET HG3 . 51725 1 6 . 1 . 1 1 1 MET HE1 H 1 1.647 0.00 . 1 . . . . . 1 MET ME . 51725 1 7 . 1 . 1 1 1 MET HE2 H 1 1.647 0.00 . 1 . . . . . 1 MET ME . 51725 1 8 . 1 . 1 1 1 MET HE3 H 1 1.647 0.00 . 1 . . . . . 1 MET ME . 51725 1 9 . 1 . 1 1 1 MET C C 13 173.064 0.00 . 1 . . . . . 1 MET CO . 51725 1 10 . 1 . 1 1 1 MET CA C 13 54.417 0.00 . 1 . . . . . 1 MET CA . 51725 1 11 . 1 . 1 1 1 MET CB C 13 33.134 0.05 . 1 . . . . . 1 MET CB . 51725 1 12 . 1 . 1 1 1 MET CG C 13 30.797 0.02 . 1 . . . . . 1 MET CG . 51725 1 13 . 1 . 1 1 1 MET CE C 13 17.735 0.00 . 1 . . . . . 1 MET CE . 51725 1 14 . 1 . 1 2 2 GLN H H 1 8.941 0.00 . 1 . . . . . 2 GLN HN . 51725 1 15 . 1 . 1 2 2 GLN HA H 1 5.278 0.00 . 1 . . . . . 2 GLN HA . 51725 1 16 . 1 . 1 2 2 GLN HB2 H 1 1.861 0.00 . 1 . . . . . 2 GLN HB2 . 51725 1 17 . 1 . 1 2 2 GLN HB3 H 1 1.612 0.00 . 1 . . . . . 2 GLN HB3 . 51725 1 18 . 1 . 1 2 2 GLN HG2 H 1 2.237 0.00 . 1 . . . . . 2 GLN HG2 . 51725 1 19 . 1 . 1 2 2 GLN HG3 H 1 1.897 0.00 . 1 . . . . . 2 GLN HG3 . 51725 1 20 . 1 . 1 2 2 GLN HE21 H 1 7.675 0.00 . 1 . . . . . 2 GLN HE21 . 51725 1 21 . 1 . 1 2 2 GLN HE22 H 1 6.889 0.00 . 1 . . . . . 2 GLN HE22 . 51725 1 22 . 1 . 1 2 2 GLN C C 13 178.526 0.00 . 1 . . . . . 2 GLN CO . 51725 1 23 . 1 . 1 2 2 GLN CA C 13 55.051 0.00 . 1 . . . . . 2 GLN CA . 51725 1 24 . 1 . 1 2 2 GLN CB C 13 30.514 0.00 . 1 . . . . . 2 GLN CB . 51725 1 25 . 1 . 1 2 2 GLN CG C 13 34.556 0.01 . 1 . . . . . 2 GLN CG . 51725 1 26 . 1 . 1 2 2 GLN CD C 13 182.350 0.02 . 1 . . . . . 2 GLN CD . 51725 1 27 . 1 . 1 2 2 GLN N N 15 122.986 0.00 . 1 . . . . . 2 GLN N . 51725 1 28 . 1 . 1 2 2 GLN NE2 N 15 112.496 0.01 . 1 . . . . . 2 GLN NE2 . 51725 1 29 . 1 . 1 3 3 ILE H H 1 8.322 0.00 . 1 . . . . . 3 ILE HN . 51725 1 30 . 1 . 1 3 3 ILE HA H 1 4.139 0.00 . 1 . . . . . 3 ILE HA . 51725 1 31 . 1 . 1 3 3 ILE HB H 1 1.748 0.00 . 1 . . . . . 3 ILE HB . 51725 1 32 . 1 . 1 3 3 ILE HG12 H 1 0.684 0.00 . 1 . . . . . 3 ILE HG12 . 51725 1 33 . 1 . 1 3 3 ILE HG21 H 1 0.608 0.00 . 1 . . . . . 3 ILE HG2 . 51725 1 34 . 1 . 1 3 3 ILE HG22 H 1 0.608 0.00 . 1 . . . . . 3 ILE HG2 . 51725 1 35 . 1 . 1 3 3 ILE HG23 H 1 0.608 0.00 . 1 . . . . . 3 ILE HG2 . 51725 1 36 . 1 . 1 3 3 ILE HD11 H 1 0.581 0.00 . 1 . . . . . 3 ILE HD11 . 51725 1 37 . 1 . 1 3 3 ILE HD12 H 1 0.581 0.00 . 1 . . . . . 3 ILE HD11 . 51725 1 38 . 1 . 1 3 3 ILE HD13 H 1 0.581 0.00 . 1 . . . . . 3 ILE HD11 . 51725 1 39 . 1 . 1 3 3 ILE C C 13 174.876 0.00 . 1 . . . . . 3 ILE CO . 51725 1 40 . 1 . 1 3 3 ILE CA C 13 59.543 0.00 . 1 . . . . . 3 ILE CA . 51725 1 41 . 1 . 1 3 3 ILE CB C 13 41.983 0.00 . 1 . . . . . 3 ILE CB . 51725 1 42 . 1 . 1 3 3 ILE CG1 C 13 24.831 0.00 . 1 . . . . . 3 ILE CG1 . 51725 1 43 . 1 . 1 3 3 ILE CG2 C 13 17.806 0.00 . 1 . . . . . 3 ILE CG2 . 51725 1 44 . 1 . 1 3 3 ILE CD1 C 13 14.192 0.00 . 1 . . . . . 3 ILE CD1 . 51725 1 45 . 1 . 1 3 3 ILE N N 15 115.248 0.00 . 1 . . . . . 3 ILE N . 51725 1 46 . 1 . 1 4 4 PHE H H 1 8.591 0.00 . 1 . . . . . 4 PHE HN . 51725 1 47 . 1 . 1 4 4 PHE HA H 1 5.604 0.00 . 1 . . . . . 4 PHE HA . 51725 1 48 . 1 . 1 4 4 PHE HB2 H 1 2.969 0.00 . 1 . . . . . 4 PHE HB2 . 51725 1 49 . 1 . 1 4 4 PHE HB3 H 1 2.994 0.00 . 1 . . . . . 4 PHE HB3 . 51725 1 50 . 1 . 1 4 4 PHE HD1 H 1 7.041 0.00 . 1 . . . . . 4 PHE HD1 . 51725 1 51 . 1 . 1 4 4 PHE HE1 H 1 7.218 0.00 . 1 . . . . . 4 PHE HE1 . 51725 1 52 . 1 . 1 4 4 PHE HZ H 1 7.218 0.00 . 1 . . . . . 4 PHE HZ . 51725 1 53 . 1 . 1 4 4 PHE C C 13 177.627 0.00 . 1 . . . . . 4 PHE CO . 51725 1 54 . 1 . 1 4 4 PHE CA C 13 55.088 0.00 . 1 . . . . . 4 PHE CA . 51725 1 55 . 1 . 1 4 4 PHE CB C 13 41.244 0.00 . 1 . . . . . 4 PHE CB . 51725 1 56 . 1 . 1 4 4 PHE CD1 C 13 132.096 0.00 . 1 . . . . . 4 PHE CD1 . 51725 1 57 . 1 . 1 4 4 PHE CD2 C 13 132.096 0.00 . 1 . . . . . 4 PHE CD2 . 51725 1 58 . 1 . 1 4 4 PHE CE1 C 13 130.999 0.00 . 1 . . . . . 4 PHE CE1 . 51725 1 59 . 1 . 1 4 4 PHE CZ C 13 129.432 0.00 . 1 . . . . . 4 PHE CZ . 51725 1 60 . 1 . 1 4 4 PHE N N 15 118.668 0.00 . 1 . . . . . 4 PHE N . 51725 1 61 . 1 . 1 5 5 VAL H H 1 9.274 0.00 . 1 . . . . . 5 VAL HN . 51725 1 62 . 1 . 1 5 5 VAL HA H 1 4.793 0.00 . 1 . . . . . 5 VAL HA . 51725 1 63 . 1 . 1 5 5 VAL HB H 1 1.885 0.00 . 1 . . . . . 5 VAL HB . 51725 1 64 . 1 . 1 5 5 VAL HG11 H 1 0.677 0.00 . 1 . . . . . 5 VAL MG1 . 51725 1 65 . 1 . 1 5 5 VAL HG12 H 1 0.677 0.00 . 1 . . . . . 5 VAL MG1 . 51725 1 66 . 1 . 1 5 5 VAL HG13 H 1 0.677 0.00 . 1 . . . . . 5 VAL MG1 . 51725 1 67 . 1 . 1 5 5 VAL HG21 H 1 0.725 0.00 . 1 . . . . . 5 VAL MG2 . 51725 1 68 . 1 . 1 5 5 VAL HG22 H 1 0.725 0.00 . 1 . . . . . 5 VAL MG2 . 51725 1 69 . 1 . 1 5 5 VAL HG23 H 1 0.725 0.00 . 1 . . . . . 5 VAL MG2 . 51725 1 70 . 1 . 1 5 5 VAL C C 13 177.344 0.00 . 1 . . . . . 5 VAL CO . 51725 1 71 . 1 . 1 5 5 VAL CA C 13 60.361 0.00 . 1 . . . . . 5 VAL CA . 51725 1 72 . 1 . 1 5 5 VAL CB C 13 34.225 0.00 . 1 . . . . . 5 VAL CB . 51725 1 73 . 1 . 1 5 5 VAL CG1 C 13 22.332 0.00 . 1 . . . . . 5 VAL CG1 . 51725 1 74 . 1 . 1 5 5 VAL CG2 C 13 20.769 0.00 . 1 . . . . . 5 VAL CG2 . 51725 1 75 . 1 . 1 5 5 VAL N N 15 121.696 0.00 . 1 . . . . . 5 VAL N . 51725 1 76 . 1 . 1 6 6 LYS H H 1 8.987 0.00 . 1 . . . . . 6 LYS HN . 51725 1 77 . 1 . 1 6 6 LYS HA H 1 5.353 0.00 . 1 . . . . . 6 LYS HA . 51725 1 78 . 1 . 1 6 6 LYS HB2 H 1 1.394 0.00 . 1 . . . . . 6 LYS HB2 . 51725 1 79 . 1 . 1 6 6 LYS HB3 H 1 1.705 0.00 . 1 . . . . . 6 LYS HB3 . 51725 1 80 . 1 . 1 6 6 LYS HG2 H 1 1.308 0.00 . 1 . . . . . 6 LYS HG2 . 51725 1 81 . 1 . 1 6 6 LYS HG3 H 1 1.386 0.00 . 1 . . . . . 6 LYS HG3 . 51725 1 82 . 1 . 1 6 6 LYS HD2 H 1 1.593 0.00 . 1 . . . . . 6 LYS HD2 . 51725 1 83 . 1 . 1 6 6 LYS HE2 H 1 2.893 0.00 . 1 . . . . . 6 LYS HE2 . 51725 1 84 . 1 . 1 6 6 LYS HE3 H 1 2.898 0.00 . 1 . . . . . 6 LYS HE3 . 51725 1 85 . 1 . 1 6 6 LYS C C 13 179.657 0.00 . 1 . . . . . 6 LYS CO . 51725 1 86 . 1 . 1 6 6 LYS CA C 13 54.586 0.00 . 1 . . . . . 6 LYS CA . 51725 1 87 . 1 . 1 6 6 LYS CB C 13 34.575 0.01 . 1 . . . . . 6 LYS CB . 51725 1 88 . 1 . 1 6 6 LYS CG C 13 25.323 0.01 . 1 . . . . . 6 LYS CG . 51725 1 89 . 1 . 1 6 6 LYS CD C 13 29.375 0.00 . 1 . . . . . 6 LYS CD . 51725 1 90 . 1 . 1 6 6 LYS CE C 13 41.889 0.00 . 1 . . . . . 6 LYS CE . 51725 1 91 . 1 . 1 6 6 LYS N N 15 127.675 0.01 . 1 . . . . . 6 LYS N . 51725 1 92 . 1 . 1 7 7 THR H H 1 8.642 0.00 . 1 . . . . . 7 THR HN . 51725 1 93 . 1 . 1 7 7 THR HA H 1 4.955 0.00 . 1 . . . . . 7 THR HA . 51725 1 94 . 1 . 1 7 7 THR HB H 1 4.843 0.00 . 1 . . . . . 7 THR HB . 51725 1 95 . 1 . 1 7 7 THR HG21 H 1 1.177 0.00 . 1 . . . . . 7 THR MG . 51725 1 96 . 1 . 1 7 7 THR HG22 H 1 1.177 0.00 . 1 . . . . . 7 THR MG . 51725 1 97 . 1 . 1 7 7 THR HG23 H 1 1.177 0.00 . 1 . . . . . 7 THR MG . 51725 1 98 . 1 . 1 7 7 THR C C 13 179.539 0.00 . 1 . . . . . 7 THR CO . 51725 1 99 . 1 . 1 7 7 THR CA C 13 60.349 0.00 . 1 . . . . . 7 THR CA . 51725 1 100 . 1 . 1 7 7 THR CB C 13 70.655 0.00 . 1 . . . . . 7 THR CB . 51725 1 101 . 1 . 1 7 7 THR CG2 C 13 21.399 0.00 . 1 . . . . . 7 THR CG2 . 51725 1 102 . 1 . 1 7 7 THR N N 15 115.475 0.59 . 1 . . . . . 7 THR N . 51725 1 103 . 1 . 1 8 8 LEU H H 1 9.146 0.00 . 1 . . . . . 8 LEU HN . 51725 1 104 . 1 . 1 8 8 LEU HA H 1 4.284 0.00 . 1 . . . . . 8 LEU HA . 51725 1 105 . 1 . 1 8 8 LEU HB2 H 1 1.743 0.00 . 1 . . . . . 8 LEU HB2 . 51725 1 106 . 1 . 1 8 8 LEU HB3 H 1 1.917 0.00 . 1 . . . . . 8 LEU HB3 . 51725 1 107 . 1 . 1 8 8 LEU HG H 1 1.870 0.00 . 1 . . . . . 8 LEU HG . 51725 1 108 . 1 . 1 8 8 LEU HD11 H 1 1.028 0.00 . 1 . . . . . 8 LEU MD1 . 51725 1 109 . 1 . 1 8 8 LEU HD12 H 1 1.028 0.00 . 1 . . . . . 8 LEU MD1 . 51725 1 110 . 1 . 1 8 8 LEU HD13 H 1 1.028 0.00 . 1 . . . . . 8 LEU MD1 . 51725 1 111 . 1 . 1 8 8 LEU HD21 H 1 0.963 0.00 . 1 . . . . . 8 LEU MD2 . 51725 1 112 . 1 . 1 8 8 LEU HD22 H 1 0.963 0.00 . 1 . . . . . 8 LEU MD2 . 51725 1 113 . 1 . 1 8 8 LEU HD23 H 1 0.963 0.00 . 1 . . . . . 8 LEU MD2 . 51725 1 114 . 1 . 1 8 8 LEU C C 13 181.365 0.00 . 1 . . . . . 8 LEU CO . 51725 1 115 . 1 . 1 8 8 LEU CA C 13 57.630 0.00 . 1 . . . . . 8 LEU CA . 51725 1 116 . 1 . 1 8 8 LEU CB C 13 41.709 0.06 . 1 . . . . . 8 LEU CB . 51725 1 117 . 1 . 1 8 8 LEU CG C 13 27.248 0.00 . 1 . . . . . 8 LEU CG . 51725 1 118 . 1 . 1 8 8 LEU CD1 C 13 25.232 0.00 . 1 . . . . . 8 LEU CD1 . 51725 1 119 . 1 . 1 8 8 LEU CD2 C 13 23.704 0.00 . 1 . . . . . 8 LEU CD2 . 51725 1 120 . 1 . 1 8 8 LEU N N 15 121.427 0.01 . 1 . . . . . 8 LEU N . 51725 1 121 . 1 . 1 9 9 THR H H 1 7.633 0.00 . 1 . . . . . 9 THR HN . 51725 1 122 . 1 . 1 9 9 THR HA H 1 4.401 0.00 . 1 . . . . . 9 THR HA . 51725 1 123 . 1 . 1 9 9 THR HB H 1 4.564 0.00 . 1 . . . . . 9 THR HB . 51725 1 124 . 1 . 1 9 9 THR HG21 H 1 1.251 0.00 . 1 . . . . . 9 THR MG . 51725 1 125 . 1 . 1 9 9 THR HG22 H 1 1.251 0.00 . 1 . . . . . 9 THR MG . 51725 1 126 . 1 . 1 9 9 THR HG23 H 1 1.251 0.00 . 1 . . . . . 9 THR MG . 51725 1 127 . 1 . 1 9 9 THR C C 13 178.074 0.00 . 1 . . . . . 9 THR CO . 51725 1 128 . 1 . 1 9 9 THR CA C 13 61.411 0.00 . 1 . . . . . 9 THR CA . 51725 1 129 . 1 . 1 9 9 THR CB C 13 69.023 0.00 . 1 . . . . . 9 THR CB . 51725 1 130 . 1 . 1 9 9 THR CG2 C 13 21.782 0.00 . 1 . . . . . 9 THR CG2 . 51725 1 131 . 1 . 1 9 9 THR N N 15 105.936 0.00 . 1 . . . . . 9 THR N . 51725 1 132 . 1 . 1 10 10 GLY H H 1 7.866 0.00 . 1 . . . . . 10 GLY HN . 51725 1 133 . 1 . 1 10 10 GLY HA2 H 1 3.565 0.00 . 1 . . . . . 10 GLY HA2 . 51725 1 134 . 1 . 1 10 10 GLY HA3 H 1 4.343 0.00 . 1 . . . . . 10 GLY HA3 . 51725 1 135 . 1 . 1 10 10 GLY C C 13 176.487 0.00 . 1 . . . . . 10 GLY CO . 51725 1 136 . 1 . 1 10 10 GLY CA C 13 45.225 0.01 . 1 . . . . . 10 GLY CA . 51725 1 137 . 1 . 1 10 10 GLY N N 15 109.478 0.00 . 1 . . . . . 10 GLY N . 51725 1 138 . 1 . 1 11 11 LYS H H 1 7.249 0.00 . 1 . . . . . 11 LYS HN . 51725 1 139 . 1 . 1 11 11 LYS HA H 1 4.217 0.00 . 1 . . . . . 11 LYS HA . 51725 1 140 . 1 . 1 11 11 LYS HB2 H 1 1.669 0.00 . 1 . . . . . 11 LYS HB2 . 51725 1 141 . 1 . 1 11 11 LYS HB3 H 1 1.780 0.00 . 1 . . . . . 11 LYS HB3 . 51725 1 142 . 1 . 1 11 11 LYS HG2 H 1 1.213 0.00 . 1 . . . . . 11 LYS HG2 . 51725 1 143 . 1 . 1 11 11 LYS HG3 H 1 1.381 0.00 . 1 . . . . . 11 LYS HG3 . 51725 1 144 . 1 . 1 11 11 LYS HD2 H 1 1.605 0.00 . 1 . . . . . 11 LYS HD2 . 51725 1 145 . 1 . 1 11 11 LYS HE2 H 1 2.902 0.00 . 1 . . . . . 11 LYS HE2 . 51725 1 146 . 1 . 1 11 11 LYS C C 13 177.753 0.00 . 1 . . . . . 11 LYS CO . 51725 1 147 . 1 . 1 11 11 LYS CA C 13 56.304 0.00 . 1 . . . . . 11 LYS CA . 51725 1 148 . 1 . 1 11 11 LYS CB C 13 33.034 0.03 . 1 . . . . . 11 LYS CB . 51725 1 149 . 1 . 1 11 11 LYS CG C 13 25.062 0.01 . 1 . . . . . 11 LYS CG . 51725 1 150 . 1 . 1 11 11 LYS CD C 13 29.372 0.00 . 1 . . . . . 11 LYS CD . 51725 1 151 . 1 . 1 11 11 LYS CE C 13 41.883 0.00 . 1 . . . . . 11 LYS CE . 51725 1 152 . 1 . 1 11 11 LYS N N 15 121.731 0.02 . 1 . . . . . 11 LYS N . 51725 1 153 . 1 . 1 12 12 CYS H H 1 8.745 0.00 . 1 . . . . . 12 CYS HN . 51725 1 154 . 1 . 1 12 12 CYS HA H 1 5.239 0.00 . 1 . . . . . 12 CYS HA . 51725 1 155 . 1 . 1 12 12 CYS HB2 H 1 2.850 0.00 . 1 . . . . . 12 CYS HB2 . 51725 1 156 . 1 . 1 12 12 CYS HB3 H 1 2.643 0.00 . 1 . . . . . 12 CYS HB3 . 51725 1 157 . 1 . 1 12 12 CYS C C 13 176.926 0.00 . 1 . . . . . 12 CYS CO . 51725 1 158 . 1 . 1 12 12 CYS CA C 13 57.577 0.00 . 1 . . . . . 12 CYS CA . 51725 1 159 . 1 . 1 12 12 CYS CB C 13 28.126 0.00 . 1 . . . . . 12 CYS CB . 51725 1 160 . 1 . 1 12 12 CYS N N 15 124.399 0.01 . 1 . . . . . 12 CYS N . 51725 1 161 . 1 . 1 13 13 ILE H H 1 9.552 0.00 . 1 . . . . . 13 ILE HN . 51725 1 162 . 1 . 1 13 13 ILE HA H 1 4.477 0.00 . 1 . . . . . 13 ILE HA . 51725 1 163 . 1 . 1 13 13 ILE HB H 1 1.888 0.00 . 1 . . . . . 13 ILE HB . 51725 1 164 . 1 . 1 13 13 ILE HG12 H 1 1.088 0.00 . 1 . . . . . 13 ILE HG12 . 51725 1 165 . 1 . 1 13 13 ILE HG13 H 1 1.479 0.00 . 1 . . . . . 13 ILE HG13 . 51725 1 166 . 1 . 1 13 13 ILE HG21 H 1 0.872 0.00 . 1 . . . . . 13 ILE MG . 51725 1 167 . 1 . 1 13 13 ILE HG22 H 1 0.872 0.00 . 1 . . . . . 13 ILE MG . 51725 1 168 . 1 . 1 13 13 ILE HG23 H 1 0.872 0.00 . 1 . . . . . 13 ILE MG . 51725 1 169 . 1 . 1 13 13 ILE HD11 H 1 0.716 0.00 . 1 . . . . . 13 ILE MD . 51725 1 170 . 1 . 1 13 13 ILE HD12 H 1 0.716 0.00 . 1 . . . . . 13 ILE MD . 51725 1 171 . 1 . 1 13 13 ILE HD13 H 1 0.716 0.00 . 1 . . . . . 13 ILE MD . 51725 1 172 . 1 . 1 13 13 ILE C C 13 177.831 0.00 . 1 . . . . . 13 ILE CO . 51725 1 173 . 1 . 1 13 13 ILE CA C 13 60.205 0.00 . 1 . . . . . 13 ILE CA . 51725 1 174 . 1 . 1 13 13 ILE CB C 13 40.659 0.00 . 1 . . . . . 13 ILE CB . 51725 1 175 . 1 . 1 13 13 ILE CG1 C 13 26.931 0.03 . 1 . . . . . 13 ILE CG1 . 51725 1 176 . 1 . 1 13 13 ILE CG2 C 13 17.701 0.00 . 1 . . . . . 13 ILE CG2 . 51725 1 177 . 1 . 1 13 13 ILE CD1 C 13 14.426 0.00 . 1 . . . . . 13 ILE CD1 . 51725 1 178 . 1 . 1 13 13 ILE N N 15 128.716 0.01 . 1 . . . . . 13 ILE N . 51725 1 179 . 1 . 1 14 14 THR H H 1 8.730 0.00 . 1 . . . . . 14 THR HN . 51725 1 180 . 1 . 1 14 14 THR HA H 1 4.944 0.00 . 1 . . . . . 14 THR HA . 51725 1 181 . 1 . 1 14 14 THR HB H 1 4.040 0.00 . 1 . . . . . 14 THR HB . 51725 1 182 . 1 . 1 14 14 THR HG21 H 1 1.117 0.00 . 1 . . . . . 14 THR MG . 51725 1 183 . 1 . 1 14 14 THR HG22 H 1 1.117 0.00 . 1 . . . . . 14 THR MG . 51725 1 184 . 1 . 1 14 14 THR HG23 H 1 1.117 0.00 . 1 . . . . . 14 THR MG . 51725 1 185 . 1 . 1 14 14 THR C C 13 176.383 0.00 . 1 . . . . . 14 THR CO . 51725 1 186 . 1 . 1 14 14 THR CA C 13 62.081 0.00 . 1 . . . . . 14 THR CA . 51725 1 187 . 1 . 1 14 14 THR CB C 13 69.529 0.00 . 1 . . . . . 14 THR CB . 51725 1 188 . 1 . 1 14 14 THR CG2 C 13 21.789 0.00 . 1 . . . . . 14 THR CG2 . 51725 1 189 . 1 . 1 14 14 THR N N 15 121.772 0.01 . 1 . . . . . 14 THR N . 51725 1 190 . 1 . 1 15 15 LEU H H 1 8.758 0.00 . 1 . . . . . 15 LEU HN . 51725 1 191 . 1 . 1 15 15 LEU HA H 1 4.733 0.00 . 1 . . . . . 15 LEU HA . 51725 1 192 . 1 . 1 15 15 LEU HB2 H 1 1.198 0.00 . 1 . . . . . 15 LEU HB2 . 51725 1 193 . 1 . 1 15 15 LEU HB3 H 1 1.347 0.00 . 1 . . . . . 15 LEU HB3 . 51725 1 194 . 1 . 1 15 15 LEU HG H 1 1.438 0.00 . 1 . . . . . 15 LEU HG . 51725 1 195 . 1 . 1 15 15 LEU HD11 H 1 0.696 0.00 . 1 . . . . . 15 LEU MD1 . 51725 1 196 . 1 . 1 15 15 LEU HD12 H 1 0.696 0.00 . 1 . . . . . 15 LEU MD1 . 51725 1 197 . 1 . 1 15 15 LEU HD13 H 1 0.696 0.00 . 1 . . . . . 15 LEU MD1 . 51725 1 198 . 1 . 1 15 15 LEU HD21 H 1 0.750 0.00 . 1 . . . . . 15 LEU MD2 . 51725 1 199 . 1 . 1 15 15 LEU HD22 H 1 0.750 0.00 . 1 . . . . . 15 LEU MD2 . 51725 1 200 . 1 . 1 15 15 LEU HD23 H 1 0.750 0.00 . 1 . . . . . 15 LEU MD2 . 51725 1 201 . 1 . 1 15 15 LEU C C 13 177.087 0.00 . 1 . . . . . 15 LEU CO . 51725 1 202 . 1 . 1 15 15 LEU CA C 13 52.570 0.00 . 1 . . . . . 15 LEU CA . 51725 1 203 . 1 . 1 15 15 LEU CB C 13 46.862 0.00 . 1 . . . . . 15 LEU CB . 51725 1 204 . 1 . 1 15 15 LEU CG C 13 26.778 0.00 . 1 . . . . . 15 LEU CG . 51725 1 205 . 1 . 1 15 15 LEU CD1 C 13 26.992 0.00 . 1 . . . . . 15 LEU CD1 . 51725 1 206 . 1 . 1 15 15 LEU CD2 C 13 24.061 0.00 . 1 . . . . . 15 LEU CD2 . 51725 1 207 . 1 . 1 15 15 LEU N N 15 125.482 0.02 . 1 . . . . . 15 LEU N . 51725 1 208 . 1 . 1 16 16 GLU H H 1 8.128 0.00 . 1 . . . . . 16 GLU HN . 51725 1 209 . 1 . 1 16 16 GLU HA H 1 4.877 0.00 . 1 . . . . . 16 GLU HA . 51725 1 210 . 1 . 1 16 16 GLU HB2 H 1 1.906 0.00 . 1 . . . . . 16 GLU HB2 . 51725 1 211 . 1 . 1 16 16 GLU HB3 H 1 1.821 0.00 . 1 . . . . . 16 GLU HB3 . 51725 1 212 . 1 . 1 16 16 GLU HG2 H 1 2.073 0.00 . 1 . . . . . 16 GLU HG2 . 51725 1 213 . 1 . 1 16 16 GLU HG3 H 1 2.219 0.00 . 1 . . . . . 16 GLU HG3 . 51725 1 214 . 1 . 1 16 16 GLU C C 13 178.360 0.00 . 1 . . . . . 16 GLU CO . 51725 1 215 . 1 . 1 16 16 GLU CA C 13 54.877 0.00 . 1 . . . . . 16 GLU CA . 51725 1 216 . 1 . 1 16 16 GLU CB C 13 29.715 0.01 . 1 . . . . . 16 GLU CB . 51725 1 217 . 1 . 1 16 16 GLU CG C 13 35.463 0.01 . 1 . . . . . 16 GLU CG . 51725 1 218 . 1 . 1 16 16 GLU N N 15 122.583 0.02 . 1 . . . . . 16 GLU N . 51725 1 219 . 1 . 1 17 17 VAL H H 1 8.948 0.00 . 1 . . . . . 17 VAL HN . 51725 1 220 . 1 . 1 17 17 VAL HA H 1 4.688 0.00 . 1 . . . . . 17 VAL HA . 51725 1 221 . 1 . 1 17 17 VAL HB H 1 2.311 0.00 . 1 . . . . . 17 VAL HB . 51725 1 222 . 1 . 1 17 17 VAL HG11 H 1 0.694 0.00 . 1 . . . . . 17 VAL MG1 . 51725 1 223 . 1 . 1 17 17 VAL HG12 H 1 0.694 0.00 . 1 . . . . . 17 VAL MG1 . 51725 1 224 . 1 . 1 17 17 VAL HG13 H 1 0.694 0.00 . 1 . . . . . 17 VAL MG1 . 51725 1 225 . 1 . 1 17 17 VAL HG21 H 1 0.414 0.00 . 1 . . . . . 17 VAL MG2 . 51725 1 226 . 1 . 1 17 17 VAL HG22 H 1 0.414 0.00 . 1 . . . . . 17 VAL MG2 . 51725 1 227 . 1 . 1 17 17 VAL HG23 H 1 0.414 0.00 . 1 . . . . . 17 VAL MG2 . 51725 1 228 . 1 . 1 17 17 VAL C C 13 176.572 0.00 . 1 . . . . . 17 VAL CO . 51725 1 229 . 1 . 1 17 17 VAL CA C 13 58.436 0.00 . 1 . . . . . 17 VAL CA . 51725 1 230 . 1 . 1 17 17 VAL CB C 13 36.431 0.00 . 1 . . . . . 17 VAL CB . 51725 1 231 . 1 . 1 17 17 VAL CG1 C 13 22.040 0.00 . 1 . . . . . 17 VAL CG1 . 51725 1 232 . 1 . 1 17 17 VAL CG2 C 13 19.496 0.00 . 1 . . . . . 17 VAL CG2 . 51725 1 233 . 1 . 1 17 17 VAL N N 15 117.672 0.01 . 1 . . . . . 17 VAL N . 51725 1 234 . 1 . 1 18 18 GLU H H 1 8.665 0.00 . 1 . . . . . 18 GLU HN . 51725 1 235 . 1 . 1 18 18 GLU HA H 1 5.059 0.00 . 1 . . . . . 18 GLU HA . 51725 1 236 . 1 . 1 18 18 GLU HB3 H 1 1.583 0.00 . 1 . . . . . 18 GLU HB3 . 51725 1 237 . 1 . 1 18 18 GLU HG2 H 1 2.175 0.04 . 1 . . . . . 18 GLU HG2 . 51725 1 238 . 1 . 1 18 18 GLU HG3 H 1 2.323 0.00 . 1 . . . . . 18 GLU HG3 . 51725 1 239 . 1 . 1 18 18 GLU CA C 13 52.691 0.00 . 1 . . . . . 18 GLU CA . 51725 1 240 . 1 . 1 18 18 GLU CB C 13 30.787 0.02 . 1 . . . . . 18 GLU CB . 51725 1 241 . 1 . 1 18 18 GLU CG C 13 35.106 0.03 . 1 . . . . . 18 GLU CG . 51725 1 242 . 1 . 1 18 18 GLU N N 15 119.385 0.01 . 1 . . . . . 18 GLU N . 51725 1 243 . 1 . 1 19 19 PRO HA H 1 4.112 0.00 . 1 . . . . . 19 PRO HA . 51725 1 244 . 1 . 1 19 19 PRO HB2 H 1 2.411 0.00 . 1 . . . . . 19 PRO HB2 . 51725 1 245 . 1 . 1 19 19 PRO HB3 H 1 1.961 0.00 . 1 . . . . . 19 PRO HB3 . 51725 1 246 . 1 . 1 19 19 PRO HG2 H 1 2.088 0.00 . 1 . . . . . 19 PRO HG2 . 51725 1 247 . 1 . 1 19 19 PRO HG3 H 1 2.040 0.00 . 1 . . . . . 19 PRO HG3 . 51725 1 248 . 1 . 1 19 19 PRO HD2 H 1 3.786 0.00 . 1 . . . . . 19 PRO HD2 . 51725 1 249 . 1 . 1 19 19 PRO HD3 H 1 3.995 0.00 . 1 . . . . . 19 PRO HD3 . 51725 1 250 . 1 . 1 19 19 PRO C C 13 177.794 0.00 . 1 . . . . . 19 PRO CO . 51725 1 251 . 1 . 1 19 19 PRO CA C 13 65.135 0.00 . 1 . . . . . 19 PRO CA . 51725 1 252 . 1 . 1 19 19 PRO CB C 13 31.770 0.01 . 1 . . . . . 19 PRO CB . 51725 1 253 . 1 . 1 19 19 PRO CG C 13 28.157 0.00 . 1 . . . . . 19 PRO CG . 51725 1 254 . 1 . 1 19 19 PRO CD C 13 50.372 0.01 . 1 . . . . . 19 PRO CD . 51725 1 255 . 1 . 1 20 20 SER H H 1 7.033 0.00 . 1 . . . . . 20 SER HN . 51725 1 256 . 1 . 1 20 20 SER HA H 1 4.350 0.00 . 1 . . . . . 20 SER HA . 51725 1 257 . 1 . 1 20 20 SER HB2 H 1 3.772 0.00 . 1 . . . . . 20 SER HB2 . 51725 1 258 . 1 . 1 20 20 SER HB3 H 1 4.144 0.00 . 1 . . . . . 20 SER HB3 . 51725 1 259 . 1 . 1 20 20 SER C C 13 177.144 0.00 . 1 . . . . . 20 SER CO . 51725 1 260 . 1 . 1 20 20 SER CA C 13 57.350 0.00 . 1 . . . . . 20 SER CA . 51725 1 261 . 1 . 1 20 20 SER CB C 13 63.398 0.00 . 1 . . . . . 20 SER CB . 51725 1 262 . 1 . 1 20 20 SER N N 15 103.513 0.01 . 1 . . . . . 20 SER N . 51725 1 263 . 1 . 1 21 21 ASP H H 1 8.062 0.00 . 1 . . . . . 21 ASP HN . 51725 1 264 . 1 . 1 21 21 ASP HA H 1 4.633 0.00 . 1 . . . . . 21 ASP HA . 51725 1 265 . 1 . 1 21 21 ASP HB2 H 1 2.503 0.00 . 1 . . . . . 21 ASP HB2 . 51725 1 266 . 1 . 1 21 21 ASP HB3 H 1 2.932 0.00 . 1 . . . . . 21 ASP HB3 . 51725 1 267 . 1 . 1 21 21 ASP C C 13 178.832 0.00 . 1 . . . . . 21 ASP CO . 51725 1 268 . 1 . 1 21 21 ASP CA C 13 55.846 0.00 . 1 . . . . . 21 ASP CA . 51725 1 269 . 1 . 1 21 21 ASP CB C 13 40.844 0.01 . 1 . . . . . 21 ASP CB . 51725 1 270 . 1 . 1 21 21 ASP N N 15 124.004 0.01 . 1 . . . . . 21 ASP N . 51725 1 271 . 1 . 1 22 22 THR H H 1 7.882 0.00 . 1 . . . . . 22 THR HN . 51725 1 272 . 1 . 1 22 22 THR HA H 1 4.897 0.00 . 1 . . . . . 22 THR HA . 51725 1 273 . 1 . 1 22 22 THR HB H 1 4.825 0.00 . 1 . . . . . 22 THR HB . 51725 1 274 . 1 . 1 22 22 THR HG21 H 1 1.249 0.00 . 1 . . . . . 22 THR MG . 51725 1 275 . 1 . 1 22 22 THR HG22 H 1 1.249 0.00 . 1 . . . . . 22 THR MG . 51725 1 276 . 1 . 1 22 22 THR HG23 H 1 1.249 0.00 . 1 . . . . . 22 THR MG . 51725 1 277 . 1 . 1 22 22 THR C C 13 179.278 0.00 . 1 . . . . . 22 THR CO . 51725 1 278 . 1 . 1 22 22 THR CA C 13 59.603 0.00 . 1 . . . . . 22 THR CA . 51725 1 279 . 1 . 1 22 22 THR CB C 13 71.076 0.00 . 1 . . . . . 22 THR CB . 51725 1 280 . 1 . 1 22 22 THR CG2 C 13 22.199 0.00 . 1 . . . . . 22 THR CG2 . 51725 1 281 . 1 . 1 22 22 THR N N 15 109.087 0.01 . 1 . . . . . 22 THR N . 51725 1 282 . 1 . 1 23 23 ILE H H 1 8.521 0.00 . 1 . . . . . 23 ILE HN . 51725 1 283 . 1 . 1 23 23 ILE HA H 1 3.619 0.00 . 1 . . . . . 23 ILE HA . 51725 1 284 . 1 . 1 23 23 ILE HB H 1 2.469 0.00 . 1 . . . . . 23 ILE HB . 51725 1 285 . 1 . 1 23 23 ILE HG12 H 1 1.895 0.00 . 1 . . . . . 23 ILE HG12 . 51725 1 286 . 1 . 1 23 23 ILE HG13 H 1 1.285 0.00 . 1 . . . . . 23 ILE HG13 . 51725 1 287 . 1 . 1 23 23 ILE HG21 H 1 0.774 0.00 . 1 . . . . . 23 ILE MG . 51725 1 288 . 1 . 1 23 23 ILE HG22 H 1 0.774 0.00 . 1 . . . . . 23 ILE MG . 51725 1 289 . 1 . 1 23 23 ILE HG23 H 1 0.774 0.00 . 1 . . . . . 23 ILE MG . 51725 1 290 . 1 . 1 23 23 ILE HD11 H 1 0.563 0.00 . 1 . . . . . 23 ILE MD . 51725 1 291 . 1 . 1 23 23 ILE HD12 H 1 0.563 0.00 . 1 . . . . . 23 ILE MD . 51725 1 292 . 1 . 1 23 23 ILE HD13 H 1 0.563 0.00 . 1 . . . . . 23 ILE MD . 51725 1 293 . 1 . 1 23 23 ILE CA C 13 62.304 0.00 . 1 . . . . . 23 ILE CA . 51725 1 294 . 1 . 1 23 23 ILE CB C 13 34.501 0.00 . 1 . . . . . 23 ILE CB . 51725 1 295 . 1 . 1 23 23 ILE CG1 C 13 27.831 0.00 . 1 . . . . . 23 ILE CG1 . 51725 1 296 . 1 . 1 23 23 ILE CG2 C 13 18.073 0.00 . 1 . . . . . 23 ILE CG2 . 51725 1 297 . 1 . 1 23 23 ILE CD1 C 13 9.271 0.00 . 1 . . . . . 23 ILE CD1 . 51725 1 298 . 1 . 1 23 23 ILE N N 15 121.343 0.03 . 1 . . . . . 23 ILE N . 51725 1 299 . 1 . 1 24 24 GLU HA H 1 3.870 0.00 . 1 . . . . . 24 GLU HA . 51725 1 300 . 1 . 1 24 24 GLU HB2 H 1 2.014 0.00 . 1 . . . . . 24 GLU HB2 . 51725 1 301 . 1 . 1 24 24 GLU HG2 H 1 2.364 0.00 . 1 . . . . . 24 GLU HG2 . 51725 1 302 . 1 . 1 24 24 GLU HG3 H 1 2.309 0.00 . 1 . . . . . 24 GLU HG3 . 51725 1 303 . 1 . 1 24 24 GLU C C 13 181.538 0.00 . 1 . . . . . 24 GLU CO . 51725 1 304 . 1 . 1 24 24 GLU CA C 13 60.631 0.00 . 1 . . . . . 24 GLU CA . 51725 1 305 . 1 . 1 24 24 GLU CB C 13 28.654 0.00 . 1 . . . . . 24 GLU CB . 51725 1 306 . 1 . 1 24 24 GLU CG C 13 36.163 0.05 . 1 . . . . . 24 GLU CG . 51725 1 307 . 1 . 1 25 25 ASN H H 1 7.934 0.00 . 1 . . . . . 25 ASN HN . 51725 1 308 . 1 . 1 25 25 ASN HA H 1 4.533 0.00 . 1 . . . . . 25 ASN HA . 51725 1 309 . 1 . 1 25 25 ASN HB2 H 1 2.853 0.00 . 1 . . . . . 25 ASN HB2 . 51725 1 310 . 1 . 1 25 25 ASN HB3 H 1 3.207 0.00 . 1 . . . . . 25 ASN HB3 . 51725 1 311 . 1 . 1 25 25 ASN HD21 H 1 7.849 0.00 . 1 . . . . . 25 ASN HD21 . 51725 1 312 . 1 . 1 25 25 ASN HD22 H 1 6.894 0.00 . 1 . . . . . 25 ASN HD22 . 51725 1 313 . 1 . 1 25 25 ASN C C 13 180.836 0.00 . 1 . . . . . 25 ASN CO . 51725 1 314 . 1 . 1 25 25 ASN CA C 13 55.954 0.00 . 1 . . . . . 25 ASN CA . 51725 1 315 . 1 . 1 25 25 ASN CB C 13 38.338 0.01 . 1 . . . . . 25 ASN CB . 51725 1 316 . 1 . 1 25 25 ASN CG C 13 178.733 0.00 . 1 . . . . . 25 ASN CG . 51725 1 317 . 1 . 1 25 25 ASN N N 15 121.500 0.00 . 1 . . . . . 25 ASN N . 51725 1 318 . 1 . 1 25 25 ASN ND2 N 15 109.957 0.00 . 1 . . . . . 25 ASN ND2 . 51725 1 319 . 1 . 1 26 26 VAL H H 1 8.118 0.00 . 1 . . . . . 26 VAL HN . 51725 1 320 . 1 . 1 26 26 VAL HA H 1 3.379 0.00 . 1 . . . . . 26 VAL HA . 51725 1 321 . 1 . 1 26 26 VAL HB H 1 2.333 0.00 . 1 . . . . . 26 VAL HB . 51725 1 322 . 1 . 1 26 26 VAL HG11 H 1 0.683 0.00 . 1 . . . . . 26 VAL MG1 . 51725 1 323 . 1 . 1 26 26 VAL HG12 H 1 0.683 0.00 . 1 . . . . . 26 VAL MG1 . 51725 1 324 . 1 . 1 26 26 VAL HG13 H 1 0.683 0.00 . 1 . . . . . 26 VAL MG1 . 51725 1 325 . 1 . 1 26 26 VAL HG21 H 1 0.966 0.00 . 1 . . . . . 26 VAL MG2 . 51725 1 326 . 1 . 1 26 26 VAL HG22 H 1 0.966 0.00 . 1 . . . . . 26 VAL MG2 . 51725 1 327 . 1 . 1 26 26 VAL HG23 H 1 0.966 0.00 . 1 . . . . . 26 VAL MG2 . 51725 1 328 . 1 . 1 26 26 VAL C C 13 180.436 0.00 . 1 . . . . . 26 VAL CO . 51725 1 329 . 1 . 1 26 26 VAL CA C 13 67.591 0.00 . 1 . . . . . 26 VAL CA . 51725 1 330 . 1 . 1 26 26 VAL CB C 13 30.705 0.00 . 1 . . . . . 26 VAL CB . 51725 1 331 . 1 . 1 26 26 VAL CG1 C 13 21.398 0.00 . 1 . . . . . 26 VAL CG1 . 51725 1 332 . 1 . 1 26 26 VAL CG2 C 13 23.479 0.00 . 1 . . . . . 26 VAL CG2 . 51725 1 333 . 1 . 1 26 26 VAL N N 15 122.300 0.01 . 1 . . . . . 26 VAL N . 51725 1 334 . 1 . 1 27 27 LYS H H 1 8.553 0.00 . 1 . . . . . 27 LYS HN . 51725 1 335 . 1 . 1 27 27 LYS HA H 1 4.582 0.00 . 1 . . . . . 27 LYS HA . 51725 1 336 . 1 . 1 27 27 LYS HB2 H 1 1.427 0.00 . 1 . . . . . 27 LYS HB2 . 51725 1 337 . 1 . 1 27 27 LYS HB3 H 1 2.002 0.00 . 1 . . . . . 27 LYS HB3 . 51725 1 338 . 1 . 1 27 27 LYS HG2 H 1 1.408 0.00 . 1 . . . . . 27 LYS HG2 . 51725 1 339 . 1 . 1 27 27 LYS HG3 H 1 1.581 0.00 . 1 . . . . . 27 LYS HG3 . 51725 1 340 . 1 . 1 27 27 LYS HD2 H 1 1.698 0.00 . 1 . . . . . 27 LYS HD2 . 51725 1 341 . 1 . 1 27 27 LYS HE2 H 1 2.627 0.00 . 1 . . . . . 27 LYS HE2 . 51725 1 342 . 1 . 1 27 27 LYS C C 13 183.022 0.00 . 1 . . . . . 27 LYS CO . 51725 1 343 . 1 . 1 27 27 LYS CA C 13 59.125 0.00 . 1 . . . . . 27 LYS CA . 51725 1 344 . 1 . 1 27 27 LYS CB C 13 33.648 0.03 . 1 . . . . . 27 LYS CB . 51725 1 345 . 1 . 1 27 27 LYS CG C 13 26.118 0.05 . 1 . . . . . 27 LYS CG . 51725 1 346 . 1 . 1 27 27 LYS CD C 13 30.463 0.00 . 1 . . . . . 27 LYS CD . 51725 1 347 . 1 . 1 27 27 LYS CE C 13 42.354 0.00 . 1 . . . . . 27 LYS CE . 51725 1 348 . 1 . 1 27 27 LYS N N 15 119.026 0.00 . 1 . . . . . 27 LYS N . 51725 1 349 . 1 . 1 28 28 ALA H H 1 7.974 0.00 . 1 . . . . . 28 ALA HN . 51725 1 350 . 1 . 1 28 28 ALA HA H 1 4.146 0.00 . 1 . . . . . 28 ALA HA . 51725 1 351 . 1 . 1 28 28 ALA HB1 H 1 1.615 0.00 . 1 . . . . . 28 ALA MB . 51725 1 352 . 1 . 1 28 28 ALA HB2 H 1 1.615 0.00 . 1 . . . . . 28 ALA MB . 51725 1 353 . 1 . 1 28 28 ALA HB3 H 1 1.615 0.00 . 1 . . . . . 28 ALA MB . 51725 1 354 . 1 . 1 28 28 ALA C C 13 182.770 0.00 . 1 . . . . . 28 ALA CO . 51725 1 355 . 1 . 1 28 28 ALA CA C 13 55.301 0.00 . 1 . . . . . 28 ALA CA . 51725 1 356 . 1 . 1 28 28 ALA CB C 13 17.610 0.00 . 1 . . . . . 28 ALA CB . 51725 1 357 . 1 . 1 28 28 ALA N N 15 123.481 0.02 . 1 . . . . . 28 ALA N . 51725 1 358 . 1 . 1 29 29 LYS H H 1 7.875 0.00 . 1 . . . . . 29 LYS HN . 51725 1 359 . 1 . 1 29 29 LYS HA H 1 4.186 0.00 . 1 . . . . . 29 LYS HA . 51725 1 360 . 1 . 1 29 29 LYS HB2 H 1 1.930 0.00 . 1 . . . . . 29 LYS HB2 . 51725 1 361 . 1 . 1 29 29 LYS HB3 H 1 2.121 0.00 . 1 . . . . . 29 LYS HB3 . 51725 1 362 . 1 . 1 29 29 LYS HG2 H 1 1.593 0.00 . 1 . . . . . 29 LYS HG2 . 51725 1 363 . 1 . 1 29 29 LYS HG3 H 1 1.780 0.00 . 1 . . . . . 29 LYS HG3 . 51725 1 364 . 1 . 1 29 29 LYS HD2 H 1 1.443 0.00 . 1 . . . . . 29 LYS HD2 . 51725 1 365 . 1 . 1 29 29 LYS HD3 H 1 1.789 0.00 . 1 . . . . . 29 LYS HD3 . 51725 1 366 . 1 . 1 29 29 LYS HE2 H 1 2.969 0.00 . 1 . . . . . 29 LYS HE2 . 51725 1 367 . 1 . 1 29 29 LYS HE3 H 1 3.165 0.00 . 1 . . . . . 29 LYS HE3 . 51725 1 368 . 1 . 1 29 29 LYS C C 13 182.835 0.00 . 1 . . . . . 29 LYS CO . 51725 1 369 . 1 . 1 29 29 LYS CA C 13 59.703 0.00 . 1 . . . . . 29 LYS CA . 51725 1 370 . 1 . 1 29 29 LYS CB C 13 33.310 0.03 . 1 . . . . . 29 LYS CB . 51725 1 371 . 1 . 1 29 29 LYS CG C 13 26.444 0.02 . 1 . . . . . 29 LYS CG . 51725 1 372 . 1 . 1 29 29 LYS CD C 13 30.197 0.01 . 1 . . . . . 29 LYS CD . 51725 1 373 . 1 . 1 29 29 LYS CE C 13 42.431 0.02 . 1 . . . . . 29 LYS CE . 51725 1 374 . 1 . 1 29 29 LYS N N 15 120.387 0.02 . 1 . . . . . 29 LYS N . 51725 1 375 . 1 . 1 30 30 ILE H H 1 8.294 0.00 . 1 . . . . . 30 ILE HN . 51725 1 376 . 1 . 1 30 30 ILE HA H 1 3.489 0.00 . 1 . . . . . 30 ILE HA . 51725 1 377 . 1 . 1 30 30 ILE HB H 1 2.333 0.00 . 1 . . . . . 30 ILE HB . 51725 1 378 . 1 . 1 30 30 ILE HG12 H 1 0.675 0.00 . 1 . . . . . 30 ILE HG12 . 51725 1 379 . 1 . 1 30 30 ILE HG13 H 1 1.994 0.00 . 1 . . . . . 30 ILE HG13 . 51725 1 380 . 1 . 1 30 30 ILE HG21 H 1 0.677 0.00 . 1 . . . . . 30 ILE MG . 51725 1 381 . 1 . 1 30 30 ILE HG22 H 1 0.677 0.00 . 1 . . . . . 30 ILE MG . 51725 1 382 . 1 . 1 30 30 ILE HG23 H 1 0.677 0.00 . 1 . . . . . 30 ILE MG . 51725 1 383 . 1 . 1 30 30 ILE HD11 H 1 0.880 0.00 . 1 . . . . . 30 ILE MD . 51725 1 384 . 1 . 1 30 30 ILE HD12 H 1 0.880 0.00 . 1 . . . . . 30 ILE MD . 51725 1 385 . 1 . 1 30 30 ILE HD13 H 1 0.880 0.00 . 1 . . . . . 30 ILE MD . 51725 1 386 . 1 . 1 30 30 ILE C C 13 180.724 0.00 . 1 . . . . . 30 ILE CO . 51725 1 387 . 1 . 1 30 30 ILE CA C 13 65.998 0.00 . 1 . . . . . 30 ILE CA . 51725 1 388 . 1 . 1 30 30 ILE CB C 13 36.741 0.00 . 1 . . . . . 30 ILE CB . 51725 1 389 . 1 . 1 30 30 ILE CG1 C 13 31.005 0.00 . 1 . . . . . 30 ILE CG1 . 51725 1 390 . 1 . 1 30 30 ILE CG2 C 13 16.978 0.00 . 1 . . . . . 30 ILE CG2 . 51725 1 391 . 1 . 1 30 30 ILE CD1 C 13 15.191 0.00 . 1 . . . . . 30 ILE CD1 . 51725 1 392 . 1 . 1 30 30 ILE N N 15 121.463 0.02 . 1 . . . . . 30 ILE N . 51725 1 393 . 1 . 1 31 31 GLN H H 1 8.551 0.00 . 1 . . . . . 31 GLN HN . 51725 1 394 . 1 . 1 31 31 GLN HA H 1 3.806 0.00 . 1 . . . . . 31 GLN HA . 51725 1 395 . 1 . 1 31 31 GLN HB2 H 1 2.478 0.00 . 1 . . . . . 31 GLN HB2 . 51725 1 396 . 1 . 1 31 31 GLN HB3 H 1 1.964 0.00 . 1 . . . . . 31 GLN HB3 . 51725 1 397 . 1 . 1 31 31 GLN HG2 H 1 2.270 0.00 . 1 . . . . . 31 GLN HG2 . 51725 1 398 . 1 . 1 31 31 GLN HG3 H 1 1.923 0.00 . 1 . . . . . 31 GLN HG3 . 51725 1 399 . 1 . 1 31 31 GLN HE21 H 1 7.660 0.00 . 1 . . . . . 31 GLN HE21 . 51725 1 400 . 1 . 1 31 31 GLN HE22 H 1 6.820 0.00 . 1 . . . . . 31 GLN HE22 . 51725 1 401 . 1 . 1 31 31 GLN C C 13 181.405 0.00 . 1 . . . . . 31 GLN CO . 51725 1 402 . 1 . 1 31 31 GLN CA C 13 59.983 0.00 . 1 . . . . . 31 GLN CA . 51725 1 403 . 1 . 1 31 31 GLN CB C 13 27.724 0.06 . 1 . . . . . 31 GLN CB . 51725 1 404 . 1 . 1 31 31 GLN CG C 13 33.715 0.07 . 1 . . . . . 31 GLN CG . 51725 1 405 . 1 . 1 31 31 GLN CD C 13 181.962 0.02 . 1 . . . . . 31 GLN CD . 51725 1 406 . 1 . 1 31 31 GLN N N 15 123.631 0.00 . 1 . . . . . 31 GLN N . 51725 1 407 . 1 . 1 31 31 GLN NE2 N 15 110.180 0.00 . 1 . . . . . 31 GLN NE2 . 51725 1 408 . 1 . 1 32 32 ASP H H 1 8.040 0.00 . 1 . . . . . 32 ASP HN . 51725 1 409 . 1 . 1 32 32 ASP HA H 1 4.324 0.00 . 1 . . . . . 32 ASP HA . 51725 1 410 . 1 . 1 32 32 ASP HB2 H 1 2.741 0.00 . 1 . . . . . 32 ASP HB2 . 51725 1 411 . 1 . 1 32 32 ASP HB3 H 1 2.825 0.00 . 1 . . . . . 32 ASP HB3 . 51725 1 412 . 1 . 1 32 32 ASP C C 13 179.853 0.00 . 1 . . . . . 32 ASP CO . 51725 1 413 . 1 . 1 32 32 ASP CA C 13 57.411 0.00 . 1 . . . . . 32 ASP CA . 51725 1 414 . 1 . 1 32 32 ASP CB C 13 40.986 0.01 . 1 . . . . . 32 ASP CB . 51725 1 415 . 1 . 1 32 32 ASP N N 15 119.893 0.02 . 1 . . . . . 32 ASP N . 51725 1 416 . 1 . 1 33 33 LYS H H 1 7.453 0.00 . 1 . . . . . 33 LYS HN . 51725 1 417 . 1 . 1 33 33 LYS HA H 1 4.298 0.00 . 1 . . . . . 33 LYS HA . 51725 1 418 . 1 . 1 33 33 LYS HB2 H 1 2.004 0.00 . 1 . . . . . 33 LYS HB2 . 51725 1 419 . 1 . 1 33 33 LYS HB3 H 1 1.839 0.00 . 1 . . . . . 33 LYS HB3 . 51725 1 420 . 1 . 1 33 33 LYS HG2 H 1 1.589 0.00 . 1 . . . . . 33 LYS HG2 . 51725 1 421 . 1 . 1 33 33 LYS HD2 H 1 1.699 0.00 . 1 . . . . . 33 LYS HD2 . 51725 1 422 . 1 . 1 33 33 LYS HE2 H 1 3.111 0.00 . 1 . . . . . 33 LYS HE2 . 51725 1 423 . 1 . 1 33 33 LYS C C 13 180.374 0.00 . 1 . . . . . 33 LYS CO . 51725 1 424 . 1 . 1 33 33 LYS CA C 13 58.189 0.00 . 1 . . . . . 33 LYS CA . 51725 1 425 . 1 . 1 33 33 LYS CB C 13 34.026 0.08 . 1 . . . . . 33 LYS CB . 51725 1 426 . 1 . 1 33 33 LYS CG C 13 25.167 0.00 . 1 . . . . . 33 LYS CG . 51725 1 427 . 1 . 1 33 33 LYS CD C 13 28.822 0.00 . 1 . . . . . 33 LYS CD . 51725 1 428 . 1 . 1 33 33 LYS CE C 13 42.096 0.00 . 1 . . . . . 33 LYS CE . 51725 1 429 . 1 . 1 33 33 LYS N N 15 115.596 0.03 . 1 . . . . . 33 LYS N . 51725 1 430 . 1 . 1 34 34 GLU H H 1 8.729 0.00 . 1 . . . . . 34 GLU HN . 51725 1 431 . 1 . 1 34 34 GLU HA H 1 4.555 0.00 . 1 . . . . . 34 GLU HA . 51725 1 432 . 1 . 1 34 34 GLU HB2 H 1 1.670 0.00 . 1 . . . . . 34 GLU HB2 . 51725 1 433 . 1 . 1 34 34 GLU HB3 H 1 2.250 0.00 . 1 . . . . . 34 GLU HB3 . 51725 1 434 . 1 . 1 34 34 GLU HG2 H 1 2.140 0.00 . 1 . . . . . 34 GLU HG2 . 51725 1 435 . 1 . 1 34 34 GLU HG3 H 1 2.057 0.00 . 1 . . . . . 34 GLU HG3 . 51725 1 436 . 1 . 1 34 34 GLU C C 13 180.483 0.00 . 1 . . . . . 34 GLU CO . 51725 1 437 . 1 . 1 34 34 GLU CA C 13 55.165 0.00 . 1 . . . . . 34 GLU CA . 51725 1 438 . 1 . 1 34 34 GLU CB C 13 33.215 0.02 . 1 . . . . . 34 GLU CB . 51725 1 439 . 1 . 1 34 34 GLU CG C 13 36.371 0.00 . 1 . . . . . 34 GLU CG . 51725 1 440 . 1 . 1 34 34 GLU N N 15 114.397 0.01 . 1 . . . . . 34 GLU N . 51725 1 441 . 1 . 1 35 35 GLY H H 1 8.497 0.00 . 1 . . . . . 35 GLY HN . 51725 1 442 . 1 . 1 35 35 GLY HA2 H 1 3.909 0.00 . 1 . . . . . 35 GLY HA2 . 51725 1 443 . 1 . 1 35 35 GLY HA3 H 1 4.124 0.00 . 1 . . . . . 35 GLY HA3 . 51725 1 444 . 1 . 1 35 35 GLY C C 13 176.481 0.00 . 1 . . . . . 35 GLY CO . 51725 1 445 . 1 . 1 35 35 GLY CA C 13 45.981 0.02 . 1 . . . . . 35 GLY CA . 51725 1 446 . 1 . 1 35 35 GLY N N 15 109.013 0.01 . 1 . . . . . 35 GLY N . 51725 1 447 . 1 . 1 36 36 ILE H H 1 6.154 0.00 . 1 . . . . . 36 ILE HN . 51725 1 448 . 1 . 1 36 36 ILE HA H 1 4.405 0.00 . 1 . . . . . 36 ILE HA . 51725 1 449 . 1 . 1 36 36 ILE HB H 1 1.403 0.00 . 1 . . . . . 36 ILE HB . 51725 1 450 . 1 . 1 36 36 ILE HG12 H 1 1.079 0.00 . 1 . . . . . 36 ILE HG12 . 51725 1 451 . 1 . 1 36 36 ILE HG21 H 1 0.925 0.00 . 1 . . . . . 36 ILE MG . 51725 1 452 . 1 . 1 36 36 ILE HG22 H 1 0.925 0.00 . 1 . . . . . 36 ILE MG . 51725 1 453 . 1 . 1 36 36 ILE HG23 H 1 0.925 0.00 . 1 . . . . . 36 ILE MG . 51725 1 454 . 1 . 1 36 36 ILE HD11 H 1 0.776 0.00 . 1 . . . . . 36 ILE MD . 51725 1 455 . 1 . 1 36 36 ILE HD12 H 1 0.776 0.00 . 1 . . . . . 36 ILE MD . 51725 1 456 . 1 . 1 36 36 ILE HD13 H 1 0.776 0.00 . 1 . . . . . 36 ILE MD . 51725 1 457 . 1 . 1 36 36 ILE CA C 13 57.751 0.00 . 1 . . . . . 36 ILE CA . 51725 1 458 . 1 . 1 36 36 ILE CB C 13 40.433 0.00 . 1 . . . . . 36 ILE CB . 51725 1 459 . 1 . 1 36 36 ILE CG1 C 13 26.932 0.00 . 1 . . . . . 36 ILE CG1 . 51725 1 460 . 1 . 1 36 36 ILE CG2 C 13 17.668 0.00 . 1 . . . . . 36 ILE CG2 . 51725 1 461 . 1 . 1 36 36 ILE CD1 C 13 13.520 0.00 . 1 . . . . . 36 ILE CD1 . 51725 1 462 . 1 . 1 36 36 ILE N N 15 120.457 0.00 . 1 . . . . . 36 ILE N . 51725 1 463 . 1 . 1 37 37 PRO HA H 1 4.613 0.00 . 1 . . . . . 37 PRO HA . 51725 1 464 . 1 . 1 37 37 PRO HB2 H 1 1.988 0.00 . 1 . . . . . 37 PRO HB2 . 51725 1 465 . 1 . 1 37 37 PRO HB3 H 1 2.416 0.00 . 1 . . . . . 37 PRO HB3 . 51725 1 466 . 1 . 1 37 37 PRO HG2 H 1 2.044 0.00 . 1 . . . . . 37 PRO HG2 . 51725 1 467 . 1 . 1 37 37 PRO HG3 H 1 2.193 0.00 . 1 . . . . . 37 PRO HG3 . 51725 1 468 . 1 . 1 37 37 PRO HD2 H 1 3.543 0.00 . 1 . . . . . 37 PRO HD2 . 51725 1 469 . 1 . 1 37 37 PRO HD3 H 1 4.186 0.00 . 1 . . . . . 37 PRO HD3 . 51725 1 470 . 1 . 1 37 37 PRO CA C 13 61.453 0.00 . 1 . . . . . 37 PRO CA . 51725 1 471 . 1 . 1 37 37 PRO CB C 13 31.776 0.03 . 1 . . . . . 37 PRO CB . 51725 1 472 . 1 . 1 37 37 PRO CG C 13 27.909 0.01 . 1 . . . . . 37 PRO CG . 51725 1 473 . 1 . 1 37 37 PRO CD C 13 50.976 0.00 . 1 . . . . . 37 PRO CD . 51725 1 474 . 1 . 1 38 38 PRO HA H 1 4.102 0.00 . 1 . . . . . 38 PRO HA . 51725 1 475 . 1 . 1 38 38 PRO HB2 H 1 2.207 0.02 . 1 . . . . . 38 PRO HB2 . 51725 1 476 . 1 . 1 38 38 PRO HB3 H 1 2.072 0.00 . 1 . . . . . 38 PRO HB3 . 51725 1 477 . 1 . 1 38 38 PRO HG3 H 1 1.639 0.00 . 1 . . . . . 38 PRO HG3 . 51725 1 478 . 1 . 1 38 38 PRO HD2 H 1 3.741 0.00 . 1 . . . . . 38 PRO HD2 . 51725 1 479 . 1 . 1 38 38 PRO HD3 H 1 3.730 0.00 . 1 . . . . . 38 PRO HD3 . 51725 1 480 . 1 . 1 38 38 PRO C C 13 180.806 0.00 . 1 . . . . . 38 PRO CO . 51725 1 481 . 1 . 1 38 38 PRO CA C 13 66.087 0.00 . 1 . . . . . 38 PRO CA . 51725 1 482 . 1 . 1 38 38 PRO CB C 13 32.661 0.06 . 1 . . . . . 38 PRO CB . 51725 1 483 . 1 . 1 38 38 PRO CG C 13 27.643 0.02 . 1 . . . . . 38 PRO CG . 51725 1 484 . 1 . 1 38 38 PRO CD C 13 51.032 0.00 . 1 . . . . . 38 PRO CD . 51725 1 485 . 1 . 1 39 39 ASP H H 1 8.533 0.00 . 1 . . . . . 39 ASP HN . 51725 1 486 . 1 . 1 39 39 ASP HA H 1 4.394 0.00 . 1 . . . . . 39 ASP HA . 51725 1 487 . 1 . 1 39 39 ASP HB2 H 1 2.659 0.00 . 1 . . . . . 39 ASP HB2 . 51725 1 488 . 1 . 1 39 39 ASP HB3 H 1 2.762 0.00 . 1 . . . . . 39 ASP HB3 . 51725 1 489 . 1 . 1 39 39 ASP C C 13 179.604 0.00 . 1 . . . . . 39 ASP CO . 51725 1 490 . 1 . 1 39 39 ASP CA C 13 55.713 0.00 . 1 . . . . . 39 ASP CA . 51725 1 491 . 1 . 1 39 39 ASP CB C 13 39.712 0.00 . 1 . . . . . 39 ASP CB . 51725 1 492 . 1 . 1 39 39 ASP N N 15 113.716 0.02 . 1 . . . . . 39 ASP N . 51725 1 493 . 1 . 1 40 40 GLN H H 1 7.819 0.00 . 1 . . . . . 40 GLN HN . 51725 1 494 . 1 . 1 40 40 GLN HA H 1 4.456 0.00 . 1 . . . . . 40 GLN HA . 51725 1 495 . 1 . 1 40 40 GLN HB2 H 1 2.452 0.00 . 1 . . . . . 40 GLN HB2 . 51725 1 496 . 1 . 1 40 40 GLN HB3 H 1 1.823 0.00 . 1 . . . . . 40 GLN HB3 . 51725 1 497 . 1 . 1 40 40 GLN HG2 H 1 2.414 0.00 . 1 . . . . . 40 GLN HG2 . 51725 1 498 . 1 . 1 40 40 GLN HG3 H 1 2.400 0.00 . 1 . . . . . 40 GLN HG3 . 51725 1 499 . 1 . 1 40 40 GLN HE21 H 1 7.688 0.00 . 1 . . . . . 40 GLN HE21 . 51725 1 500 . 1 . 1 40 40 GLN HE22 H 1 6.749 0.00 . 1 . . . . . 40 GLN HE22 . 51725 1 501 . 1 . 1 40 40 GLN C C 13 177.867 0.00 . 1 . . . . . 40 GLN CO . 51725 1 502 . 1 . 1 40 40 GLN CA C 13 55.514 0.00 . 1 . . . . . 40 GLN CA . 51725 1 503 . 1 . 1 40 40 GLN CB C 13 30.013 0.02 . 1 . . . . . 40 GLN CB . 51725 1 504 . 1 . 1 40 40 GLN CG C 13 34.339 0.00 . 1 . . . . . 40 GLN CG . 51725 1 505 . 1 . 1 40 40 GLN CD C 13 182.131 0.01 . 1 . . . . . 40 GLN CD . 51725 1 506 . 1 . 1 40 40 GLN N N 15 117.035 0.01 . 1 . . . . . 40 GLN N . 51725 1 507 . 1 . 1 40 40 GLN NE2 N 15 111.135 0.00 . 1 . . . . . 40 GLN NE2 . 51725 1 508 . 1 . 1 41 41 GLN H H 1 7.486 0.00 . 1 . . . . . 41 GLN HN . 51725 1 509 . 1 . 1 41 41 GLN HA H 1 4.212 0.00 . 1 . . . . . 41 GLN HA . 51725 1 510 . 1 . 1 41 41 GLN HB2 H 1 1.938 0.00 . 1 . . . . . 41 GLN HB2 . 51725 1 511 . 1 . 1 41 41 GLN HB3 H 1 1.895 0.00 . 1 . . . . . 41 GLN HB3 . 51725 1 512 . 1 . 1 41 41 GLN HG2 H 1 1.658 0.00 . 1 . . . . . 41 GLN HG1 . 51725 1 513 . 1 . 1 41 41 GLN HG3 H 1 2.514 0.00 . 1 . . . . . 41 GLN HG2 . 51725 1 514 . 1 . 1 41 41 GLN HE21 H 1 6.175 0.00 . 1 . . . . . 41 GLN HE21 . 51725 1 515 . 1 . 1 41 41 GLN HE22 H 1 6.512 0.00 . 1 . . . . . 41 GLN HE22 . 51725 1 516 . 1 . 1 41 41 GLN C C 13 178.686 0.00 . 1 . . . . . 41 GLN CO . 51725 1 517 . 1 . 1 41 41 GLN CA C 13 56.615 0.00 . 1 . . . . . 41 GLN CA . 51725 1 518 . 1 . 1 41 41 GLN CB C 13 31.470 0.00 . 1 . . . . . 41 GLN CB . 51725 1 519 . 1 . 1 41 41 GLN CG C 13 33.438 0.00 . 1 . . . . . 41 GLN CG . 51725 1 520 . 1 . 1 41 41 GLN CD C 13 177.330 0.01 . 1 . . . . . 41 GLN CD . 51725 1 521 . 1 . 1 41 41 GLN N N 15 118.028 0.00 . 1 . . . . . 41 GLN N . 51725 1 522 . 1 . 1 41 41 GLN NE2 N 15 104.337 0.00 . 1 . . . . . 41 GLN NE2 . 51725 1 523 . 1 . 1 42 42 ARG H H 1 8.502 0.00 . 1 . . . . . 42 ARG HN . 51725 1 524 . 1 . 1 42 42 ARG HA H 1 4.466 0.00 . 1 . . . . . 42 ARG HA . 51725 1 525 . 1 . 1 42 42 ARG HB2 H 1 1.618 0.00 . 1 . . . . . 42 ARG HB2 . 51725 1 526 . 1 . 1 42 42 ARG HB3 H 1 1.698 0.00 . 1 . . . . . 42 ARG HB3 . 51725 1 527 . 1 . 1 42 42 ARG HG2 H 1 1.389 0.00 . 1 . . . . . 42 ARG HG2 . 51725 1 528 . 1 . 1 42 42 ARG HD2 H 1 3.105 0.00 . 1 . . . . . 42 ARG HD2 . 51725 1 529 . 1 . 1 42 42 ARG HD3 H 1 3.033 0.00 . 1 . . . . . 42 ARG HD3 . 51725 1 530 . 1 . 1 42 42 ARG C C 13 176.423 0.00 . 1 . . . . . 42 ARG CO . 51725 1 531 . 1 . 1 42 42 ARG CA C 13 55.071 0.00 . 1 . . . . . 42 ARG CA . 51725 1 532 . 1 . 1 42 42 ARG CB C 13 31.654 0.00 . 1 . . . . . 42 ARG CB . 51725 1 533 . 1 . 1 42 42 ARG CG C 13 26.969 0.00 . 1 . . . . . 42 ARG CG . 51725 1 534 . 1 . 1 42 42 ARG CD C 13 43.553 0.02 . 1 . . . . . 42 ARG CD . 51725 1 535 . 1 . 1 42 42 ARG N N 15 123.120 0.00 . 1 . . . . . 42 ARG N . 51725 1 536 . 1 . 1 43 43 LEU H H 1 8.814 0.00 . 1 . . . . . 43 LEU HN . 51725 1 537 . 1 . 1 43 43 LEU HA H 1 5.374 0.00 . 1 . . . . . 43 LEU HA . 51725 1 538 . 1 . 1 43 43 LEU HB2 H 1 1.138 0.00 . 1 . . . . . 43 LEU HB2 . 51725 1 539 . 1 . 1 43 43 LEU HB3 H 1 1.546 0.00 . 1 . . . . . 43 LEU HB3 . 51725 1 540 . 1 . 1 43 43 LEU HG H 1 1.473 0.00 . 1 . . . . . 43 LEU HG . 51725 1 541 . 1 . 1 43 43 LEU HD11 H 1 0.755 0.00 . 1 . . . . . 43 LEU MD1 . 51725 1 542 . 1 . 1 43 43 LEU HD12 H 1 0.755 0.00 . 1 . . . . . 43 LEU MD1 . 51725 1 543 . 1 . 1 43 43 LEU HD13 H 1 0.755 0.00 . 1 . . . . . 43 LEU MD1 . 51725 1 544 . 1 . 1 43 43 LEU HD21 H 1 0.793 0.00 . 1 . . . . . 43 LEU MD2 . 51725 1 545 . 1 . 1 43 43 LEU HD22 H 1 0.793 0.00 . 1 . . . . . 43 LEU MD2 . 51725 1 546 . 1 . 1 43 43 LEU HD23 H 1 0.793 0.00 . 1 . . . . . 43 LEU MD2 . 51725 1 547 . 1 . 1 43 43 LEU C C 13 177.845 0.00 . 1 . . . . . 43 LEU CO . 51725 1 548 . 1 . 1 43 43 LEU CA C 13 52.949 0.00 . 1 . . . . . 43 LEU CA . 51725 1 549 . 1 . 1 43 43 LEU CB C 13 45.640 0.00 . 1 . . . . . 43 LEU CB . 51725 1 550 . 1 . 1 43 43 LEU CG C 13 27.172 0.00 . 1 . . . . . 43 LEU CG . 51725 1 551 . 1 . 1 43 43 LEU CD1 C 13 26.391 0.00 . 1 . . . . . 43 LEU CD1 . 51725 1 552 . 1 . 1 43 43 LEU CD2 C 13 24.102 0.00 . 1 . . . . . 43 LEU CD2 . 51725 1 553 . 1 . 1 43 43 LEU N N 15 124.452 0.00 . 1 . . . . . 43 LEU N . 51725 1 554 . 1 . 1 44 44 ILE H H 1 9.150 0.00 . 1 . . . . . 44 ILE HN . 51725 1 555 . 1 . 1 44 44 ILE HA H 1 4.913 0.00 . 1 . . . . . 44 ILE HA . 51725 1 556 . 1 . 1 44 44 ILE HB H 1 1.742 0.00 . 1 . . . . . 44 ILE HB . 51725 1 557 . 1 . 1 44 44 ILE HG12 H 1 1.352 0.00 . 1 . . . . . 44 ILE HG12 . 51725 1 558 . 1 . 1 44 44 ILE HG13 H 1 1.038 0.00 . 1 . . . . . 44 ILE HG13 . 51725 1 559 . 1 . 1 44 44 ILE HG21 H 1 0.672 0.00 . 1 . . . . . 44 ILE MG . 51725 1 560 . 1 . 1 44 44 ILE HG22 H 1 0.672 0.00 . 1 . . . . . 44 ILE MG . 51725 1 561 . 1 . 1 44 44 ILE HG23 H 1 0.672 0.00 . 1 . . . . . 44 ILE MG . 51725 1 562 . 1 . 1 44 44 ILE HD11 H 1 0.669 0.00 . 1 . . . . . 44 ILE MD . 51725 1 563 . 1 . 1 44 44 ILE HD12 H 1 0.669 0.00 . 1 . . . . . 44 ILE MD . 51725 1 564 . 1 . 1 44 44 ILE HD13 H 1 0.669 0.00 . 1 . . . . . 44 ILE MD . 51725 1 565 . 1 . 1 44 44 ILE C C 13 178.252 0.00 . 1 . . . . . 44 ILE CO . 51725 1 566 . 1 . 1 44 44 ILE CA C 13 58.957 0.00 . 1 . . . . . 44 ILE CA . 51725 1 567 . 1 . 1 44 44 ILE CB C 13 41.162 0.00 . 1 . . . . . 44 ILE CB . 51725 1 568 . 1 . 1 44 44 ILE CG1 C 13 27.767 0.01 . 1 . . . . . 44 ILE CG1 . 51725 1 569 . 1 . 1 44 44 ILE CG2 C 13 17.478 0.00 . 1 . . . . . 44 ILE CG2 . 51725 1 570 . 1 . 1 44 44 ILE CD1 C 13 12.664 0.00 . 1 . . . . . 44 ILE CD1 . 51725 1 571 . 1 . 1 44 44 ILE N N 15 122.582 0.02 . 1 . . . . . 44 ILE N . 51725 1 572 . 1 . 1 45 45 PHE H H 1 8.854 0.00 . 1 . . . . . 45 PHE HN . 51725 1 573 . 1 . 1 45 45 PHE HA H 1 5.178 0.00 . 1 . . . . . 45 PHE HA . 51725 1 574 . 1 . 1 45 45 PHE HB2 H 1 2.805 0.00 . 1 . . . . . 45 PHE HB2 . 51725 1 575 . 1 . 1 45 45 PHE HB3 H 1 2.997 0.00 . 1 . . . . . 45 PHE HB3 . 51725 1 576 . 1 . 1 45 45 PHE HD1 H 1 7.359 0.00 . 1 . . . . . 45 PHE HD1 . 51725 1 577 . 1 . 1 45 45 PHE HZ H 1 7.454 0.00 . 1 . . . . . 45 PHE HZ . 51725 1 578 . 1 . 1 45 45 PHE C C 13 177.205 0.00 . 1 . . . . . 45 PHE CO . 51725 1 579 . 1 . 1 45 45 PHE CA C 13 56.457 0.00 . 1 . . . . . 45 PHE CA . 51725 1 580 . 1 . 1 45 45 PHE CB C 13 43.545 0.01 . 1 . . . . . 45 PHE CB . 51725 1 581 . 1 . 1 45 45 PHE CD1 C 13 131.964 0.00 . 1 . . . . . 45 PHE CD1 . 51725 1 582 . 1 . 1 45 45 PHE CE1 C 13 132.220 0.00 . 1 . . . . . 45 PHE CE1 . 51725 1 583 . 1 . 1 45 45 PHE CZ C 13 130.014 0.00 . 1 . . . . . 45 PHE CZ . 51725 1 584 . 1 . 1 45 45 PHE N N 15 125.064 0.02 . 1 . . . . . 45 PHE N . 51725 1 585 . 1 . 1 46 46 ALA H H 1 9.001 0.00 . 1 . . . . . 46 ALA HN . 51725 1 586 . 1 . 1 46 46 ALA HA H 1 3.688 0.00 . 1 . . . . . 46 ALA HA . 51725 1 587 . 1 . 1 46 46 ALA HB1 H 1 0.863 0.00 . 1 . . . . . 46 ALA MB . 51725 1 588 . 1 . 1 46 46 ALA HB2 H 1 0.863 0.00 . 1 . . . . . 46 ALA MB . 51725 1 589 . 1 . 1 46 46 ALA HB3 H 1 0.863 0.00 . 1 . . . . . 46 ALA MB . 51725 1 590 . 1 . 1 46 46 ALA C C 13 179.875 0.00 . 1 . . . . . 46 ALA CO . 51725 1 591 . 1 . 1 46 46 ALA CA C 13 52.449 0.00 . 1 . . . . . 46 ALA CA . 51725 1 592 . 1 . 1 46 46 ALA CB C 13 16.413 0.00 . 1 . . . . . 46 ALA CB . 51725 1 593 . 1 . 1 46 46 ALA N N 15 133.052 0.00 . 1 . . . . . 46 ALA N . 51725 1 594 . 1 . 1 47 47 GLY H H 1 8.117 0.00 . 1 . . . . . 47 GLY HN . 51725 1 595 . 1 . 1 47 47 GLY HA2 H 1 3.426 0.00 . 1 . . . . . 47 GLY HA2 . 51725 1 596 . 1 . 1 47 47 GLY HA3 H 1 4.090 0.00 . 1 . . . . . 47 GLY HA3 . 51725 1 597 . 1 . 1 47 47 GLY C C 13 176.249 0.00 . 1 . . . . . 47 GLY CO . 51725 1 598 . 1 . 1 47 47 GLY CA C 13 45.269 0.00 . 1 . . . . . 47 GLY CA . 51725 1 599 . 1 . 1 47 47 GLY N N 15 102.524 0.01 . 1 . . . . . 47 GLY N . 51725 1 600 . 1 . 1 48 48 LYS H H 1 7.973 0.00 . 1 . . . . . 48 LYS HN . 51725 1 601 . 1 . 1 48 48 LYS HA H 1 4.591 0.00 . 1 . . . . . 48 LYS HA . 51725 1 602 . 1 . 1 48 48 LYS HB2 H 1 1.893 0.00 . 1 . . . . . 48 LYS HB2 . 51725 1 603 . 1 . 1 48 48 LYS HG2 H 1 1.502 0.00 . 1 . . . . . 48 LYS HG2 . 51725 1 604 . 1 . 1 48 48 LYS HD2 H 1 1.848 0.00 . 1 . . . . . 48 LYS HD2 . 51725 1 605 . 1 . 1 48 48 LYS HE2 H 1 3.158 0.00 . 1 . . . . . 48 LYS HE2 . 51725 1 606 . 1 . 1 48 48 LYS C C 13 177.150 0.00 . 1 . . . . . 48 LYS CO . 51725 1 607 . 1 . 1 48 48 LYS CA C 13 54.554 0.00 . 1 . . . . . 48 LYS CA . 51725 1 608 . 1 . 1 48 48 LYS CB C 13 34.372 0.00 . 1 . . . . . 48 LYS CB . 51725 1 609 . 1 . 1 48 48 LYS CG C 13 24.415 0.00 . 1 . . . . . 48 LYS CG . 51725 1 610 . 1 . 1 48 48 LYS CD C 13 29.098 0.00 . 1 . . . . . 48 LYS CD . 51725 1 611 . 1 . 1 48 48 LYS CE C 13 42.153 0.00 . 1 . . . . . 48 LYS CE . 51725 1 612 . 1 . 1 48 48 LYS N N 15 122.129 0.00 . 1 . . . . . 48 LYS N . 51725 1 613 . 1 . 1 49 49 GLN H H 1 8.662 0.00 . 1 . . . . . 49 GLN HN . 51725 1 614 . 1 . 1 49 49 GLN HA H 1 4.489 0.00 . 1 . . . . . 49 GLN HA . 51725 1 615 . 1 . 1 49 49 GLN HB2 H 1 1.985 0.00 . 1 . . . . . 49 GLN HB2 . 51725 1 616 . 1 . 1 49 49 GLN HB3 H 1 1.965 0.00 . 1 . . . . . 49 GLN HB3 . 51725 1 617 . 1 . 1 49 49 GLN HG2 H 1 2.233 0.00 . 1 . . . . . 49 GLN HG2 . 51725 1 618 . 1 . 1 49 49 GLN HE21 H 1 7.736 0.00 . 1 . . . . . 49 GLN HE21 . 51725 1 619 . 1 . 1 49 49 GLN HE22 H 1 6.727 0.00 . 1 . . . . . 49 GLN HE22 . 51725 1 620 . 1 . 1 49 49 GLN C C 13 178.125 0.00 . 1 . . . . . 49 GLN CO . 51725 1 621 . 1 . 1 49 49 GLN CA C 13 55.902 0.00 . 1 . . . . . 49 GLN CA . 51725 1 622 . 1 . 1 49 49 GLN CB C 13 28.983 0.00 . 1 . . . . . 49 GLN CB . 51725 1 623 . 1 . 1 49 49 GLN CG C 13 34.556 0.00 . 1 . . . . . 49 GLN CG . 51725 1 624 . 1 . 1 49 49 GLN CD C 13 182.893 0.01 . 1 . . . . . 49 GLN CD . 51725 1 625 . 1 . 1 49 49 GLN N N 15 123.280 0.00 . 1 . . . . . 49 GLN N . 51725 1 626 . 1 . 1 49 49 GLN NE2 N 15 112.098 0.00 . 1 . . . . . 49 GLN NE2 . 51725 1 627 . 1 . 1 50 50 LEU H H 1 8.587 0.00 . 1 . . . . . 50 LEU HN . 51725 1 628 . 1 . 1 50 50 LEU HA H 1 4.074 0.00 . 1 . . . . . 50 LEU HA . 51725 1 629 . 1 . 1 50 50 LEU HB2 H 1 0.997 0.00 . 1 . . . . . 50 LEU HB2 . 51725 1 630 . 1 . 1 50 50 LEU HB3 H 1 1.478 0.00 . 1 . . . . . 50 LEU HB3 . 51725 1 631 . 1 . 1 50 50 LEU HG H 1 1.467 0.00 . 1 . . . . . 50 LEU HG . 51725 1 632 . 1 . 1 50 50 LEU HD11 H 1 0.507 0.00 . 1 . . . . . 50 LEU MD1 . 51725 1 633 . 1 . 1 50 50 LEU HD12 H 1 0.507 0.00 . 1 . . . . . 50 LEU MD1 . 51725 1 634 . 1 . 1 50 50 LEU HD13 H 1 0.507 0.00 . 1 . . . . . 50 LEU MD1 . 51725 1 635 . 1 . 1 50 50 LEU HD21 H 1 -0.181 0.00 . 1 . . . . . 50 LEU MD2 . 51725 1 636 . 1 . 1 50 50 LEU HD22 H 1 -0.181 0.00 . 1 . . . . . 50 LEU MD2 . 51725 1 637 . 1 . 1 50 50 LEU HD23 H 1 -0.181 0.00 . 1 . . . . . 50 LEU MD2 . 51725 1 638 . 1 . 1 50 50 LEU C C 13 179.184 0.00 . 1 . . . . . 50 LEU CO . 51725 1 639 . 1 . 1 50 50 LEU CA C 13 54.170 0.00 . 1 . . . . . 50 LEU CA . 51725 1 640 . 1 . 1 50 50 LEU CB C 13 41.334 0.00 . 1 . . . . . 50 LEU CB . 51725 1 641 . 1 . 1 50 50 LEU CG C 13 25.856 0.00 . 1 . . . . . 50 LEU CG . 51725 1 642 . 1 . 1 50 50 LEU CD1 C 13 25.870 0.00 . 1 . . . . . 50 LEU CD1 . 51725 1 643 . 1 . 1 50 50 LEU CD2 C 13 19.483 0.00 . 1 . . . . . 50 LEU CD2 . 51725 1 644 . 1 . 1 50 50 LEU N N 15 125.851 0.01 . 1 . . . . . 50 LEU N . 51725 1 645 . 1 . 1 51 51 GLU H H 1 8.396 0.00 . 1 . . . . . 51 GLU HN . 51725 1 646 . 1 . 1 51 51 GLU HA H 1 4.509 0.00 . 1 . . . . . 51 GLU HA . 51725 1 647 . 1 . 1 51 51 GLU HB2 H 1 2.210 0.00 . 1 . . . . . 51 GLU HB2 . 51725 1 648 . 1 . 1 51 51 GLU HB3 H 1 1.951 0.00 . 1 . . . . . 51 GLU HB3 . 51725 1 649 . 1 . 1 51 51 GLU HG2 H 1 2.411 0.00 . 1 . . . . . 51 GLU HG2 . 51725 1 650 . 1 . 1 51 51 GLU HG3 H 1 2.325 0.00 . 1 . . . . . 51 GLU HG3 . 51725 1 651 . 1 . 1 51 51 GLU C C 13 178.017 0.00 . 1 . . . . . 51 GLU CO . 51725 1 652 . 1 . 1 51 51 GLU CA C 13 55.922 0.00 . 1 . . . . . 51 GLU CA . 51725 1 653 . 1 . 1 51 51 GLU CB C 13 31.889 0.03 . 1 . . . . . 51 GLU CB . 51725 1 654 . 1 . 1 51 51 GLU CG C 13 36.438 0.02 . 1 . . . . . 51 GLU CG . 51725 1 655 . 1 . 1 51 51 GLU N N 15 123.206 0.00 . 1 . . . . . 51 GLU N . 51725 1 656 . 1 . 1 52 52 ASP H H 1 8.178 0.00 . 1 . . . . . 52 ASP HN . 51725 1 657 . 1 . 1 52 52 ASP HA H 1 4.369 0.00 . 1 . . . . . 52 ASP HA . 51725 1 658 . 1 . 1 52 52 ASP HB2 H 1 2.609 0.00 . 1 . . . . . 52 ASP HB2 . 51725 1 659 . 1 . 1 52 52 ASP HB3 H 1 2.509 0.00 . 1 . . . . . 52 ASP HB3 . 51725 1 660 . 1 . 1 52 52 ASP CA C 13 56.593 0.00 . 1 . . . . . 52 ASP CA . 51725 1 661 . 1 . 1 52 52 ASP CB C 13 40.613 0.04 . 1 . . . . . 52 ASP CB . 51725 1 662 . 1 . 1 52 52 ASP N N 15 120.505 0.01 . 1 . . . . . 52 ASP N . 51725 1 663 . 1 . 1 53 53 GLY HA2 H 1 4.036 0.00 . 1 . . . . . 53 GLY HA1 . 51725 1 664 . 1 . 1 53 53 GLY HA3 H 1 4.052 0.00 . 1 . . . . . 53 GLY HA2 . 51725 1 665 . 1 . 1 53 53 GLY C C 13 177.315 0.00 . 1 . . . . . 53 GLY CO . 51725 1 666 . 1 . 1 53 53 GLY CA C 13 45.089 0.00 . 1 . . . . . 53 GLY CA . 51725 1 667 . 1 . 1 54 54 ARG H H 1 7.473 0.00 . 1 . . . . . 54 ARG HN . 51725 1 668 . 1 . 1 54 54 ARG HA H 1 4.702 0.00 . 1 . . . . . 54 ARG HA . 51725 1 669 . 1 . 1 54 54 ARG HB2 H 1 2.025 0.00 . 1 . . . . . 54 ARG HB2 . 51725 1 670 . 1 . 1 54 54 ARG HB3 H 1 2.231 0.00 . 1 . . . . . 54 ARG HB3 . 51725 1 671 . 1 . 1 54 54 ARG HG2 H 1 1.611 0.00 . 1 . . . . . 54 ARG HG2 . 51725 1 672 . 1 . 1 54 54 ARG HG3 H 1 1.814 0.00 . 1 . . . . . 54 ARG HG3 . 51725 1 673 . 1 . 1 54 54 ARG HD2 H 1 3.067 0.00 . 1 . . . . . 54 ARG HD2 . 51725 1 674 . 1 . 1 54 54 ARG HD3 H 1 3.131 0.00 . 1 . . . . . 54 ARG HD3 . 51725 1 675 . 1 . 1 54 54 ARG C C 13 177.857 0.00 . 1 . . . . . 54 ARG CO . 51725 1 676 . 1 . 1 54 54 ARG CA C 13 54.139 0.00 . 1 . . . . . 54 ARG CA . 51725 1 677 . 1 . 1 54 54 ARG CB C 13 32.739 0.02 . 1 . . . . . 54 ARG CB . 51725 1 678 . 1 . 1 54 54 ARG CG C 13 27.349 0.01 . 1 . . . . . 54 ARG CG . 51725 1 679 . 1 . 1 54 54 ARG CD C 13 42.866 0.00 . 1 . . . . . 54 ARG CD . 51725 1 680 . 1 . 1 54 54 ARG N N 15 119.438 0.01 . 1 . . . . . 54 ARG N . 51725 1 681 . 1 . 1 55 55 THR H H 1 8.835 0.00 . 1 . . . . . 55 THR HN . 51725 1 682 . 1 . 1 55 55 THR HA H 1 5.227 0.00 . 1 . . . . . 55 THR HA . 51725 1 683 . 1 . 1 55 55 THR HB H 1 4.526 0.00 . 1 . . . . . 55 THR HB . 51725 1 684 . 1 . 1 55 55 THR HG21 H 1 1.113 0.00 . 1 . . . . . 55 THR MG . 51725 1 685 . 1 . 1 55 55 THR HG22 H 1 1.113 0.00 . 1 . . . . . 55 THR MG . 51725 1 686 . 1 . 1 55 55 THR HG23 H 1 1.113 0.00 . 1 . . . . . 55 THR MG . 51725 1 687 . 1 . 1 55 55 THR C C 13 179.031 0.00 . 1 . . . . . 55 THR CO . 51725 1 688 . 1 . 1 55 55 THR CA C 13 59.621 0.00 . 1 . . . . . 55 THR CA . 51725 1 689 . 1 . 1 55 55 THR CB C 13 72.305 0.00 . 1 . . . . . 55 THR CB . 51725 1 690 . 1 . 1 55 55 THR CG2 C 13 22.187 0.00 . 1 . . . . . 55 THR CG2 . 51725 1 691 . 1 . 1 55 55 THR N N 15 108.885 0.01 . 1 . . . . . 55 THR N . 51725 1 692 . 1 . 1 56 56 LEU H H 1 8.157 0.00 . 1 . . . . . 56 LEU HN . 51725 1 693 . 1 . 1 56 56 LEU HA H 1 4.047 0.00 . 1 . . . . . 56 LEU HA . 51725 1 694 . 1 . 1 56 56 LEU HB2 H 1 1.185 0.00 . 1 . . . . . 56 LEU HB2 . 51725 1 695 . 1 . 1 56 56 LEU HB3 H 1 2.093 0.00 . 1 . . . . . 56 LEU HB3 . 51725 1 696 . 1 . 1 56 56 LEU HG H 1 1.717 0.00 . 1 . . . . . 56 LEU HG . 51725 1 697 . 1 . 1 56 56 LEU HD11 H 1 0.743 0.00 . 1 . . . . . 56 LEU MD1 . 51725 1 698 . 1 . 1 56 56 LEU HD12 H 1 0.743 0.00 . 1 . . . . . 56 LEU MD1 . 51725 1 699 . 1 . 1 56 56 LEU HD13 H 1 0.743 0.00 . 1 . . . . . 56 LEU MD1 . 51725 1 700 . 1 . 1 56 56 LEU HD21 H 1 0.606 0.00 . 1 . . . . . 56 LEU MD2 . 51725 1 701 . 1 . 1 56 56 LEU HD22 H 1 0.606 0.00 . 1 . . . . . 56 LEU MD2 . 51725 1 702 . 1 . 1 56 56 LEU HD23 H 1 0.606 0.00 . 1 . . . . . 56 LEU MD2 . 51725 1 703 . 1 . 1 56 56 LEU C C 13 183.318 0.00 . 1 . . . . . 56 LEU CO . 51725 1 704 . 1 . 1 56 56 LEU CA C 13 58.587 0.00 . 1 . . . . . 56 LEU CA . 51725 1 705 . 1 . 1 56 56 LEU CB C 13 40.180 0.00 . 1 . . . . . 56 LEU CB . 51725 1 706 . 1 . 1 56 56 LEU CG C 13 26.633 0.00 . 1 . . . . . 56 LEU CG . 51725 1 707 . 1 . 1 56 56 LEU CD1 C 13 26.738 0.00 . 1 . . . . . 56 LEU CD1 . 51725 1 708 . 1 . 1 56 56 LEU CD2 C 13 23.013 0.00 . 1 . . . . . 56 LEU CD2 . 51725 1 709 . 1 . 1 56 56 LEU N N 15 118.121 0.00 . 1 . . . . . 56 LEU N . 51725 1 710 . 1 . 1 57 57 SER H H 1 8.493 0.00 . 1 . . . . . 57 SER HN . 51725 1 711 . 1 . 1 57 57 SER HA H 1 4.236 0.00 . 1 . . . . . 57 SER HA . 51725 1 712 . 1 . 1 57 57 SER HB2 H 1 3.737 0.00 . 1 . . . . . 57 SER HB2 . 51725 1 713 . 1 . 1 57 57 SER HB3 H 1 3.832 0.00 . 1 . . . . . 57 SER HB3 . 51725 1 714 . 1 . 1 57 57 SER C C 13 180.822 0.00 . 1 . . . . . 57 SER CO . 51725 1 715 . 1 . 1 57 57 SER CA C 13 61.022 0.00 . 1 . . . . . 57 SER CA . 51725 1 716 . 1 . 1 57 57 SER CB C 13 62.504 0.00 . 1 . . . . . 57 SER CB . 51725 1 717 . 1 . 1 57 57 SER N N 15 113.549 0.03 . 1 . . . . . 57 SER N . 51725 1 718 . 1 . 1 58 58 ASP H H 1 7.943 0.00 . 1 . . . . . 58 ASP HN . 51725 1 719 . 1 . 1 58 58 ASP HA H 1 4.271 0.00 . 1 . . . . . 58 ASP HA . 51725 1 720 . 1 . 1 58 58 ASP HB2 H 1 2.265 0.00 . 1 . . . . . 58 ASP HB2 . 51725 1 721 . 1 . 1 58 58 ASP HB3 H 1 2.991 0.00 . 1 . . . . . 58 ASP HB3 . 51725 1 722 . 1 . 1 58 58 ASP C C 13 179.958 0.00 . 1 . . . . . 58 ASP CO . 51725 1 723 . 1 . 1 58 58 ASP CA C 13 57.380 0.00 . 1 . . . . . 58 ASP CA . 51725 1 724 . 1 . 1 58 58 ASP CB C 13 40.278 0.01 . 1 . . . . . 58 ASP CB . 51725 1 725 . 1 . 1 58 58 ASP N N 15 124.645 0.01 . 1 . . . . . 58 ASP N . 51725 1 726 . 1 . 1 59 59 TYR H H 1 7.261 0.00 . 1 . . . . . 59 TYR HN . 51725 1 727 . 1 . 1 59 59 TYR HA H 1 4.637 0.00 . 1 . . . . . 59 TYR HA . 51725 1 728 . 1 . 1 59 59 TYR HB2 H 1 3.447 0.00 . 1 . . . . . 59 TYR HB2 . 51725 1 729 . 1 . 1 59 59 TYR HB3 H 1 2.519 0.00 . 1 . . . . . 59 TYR HB3 . 51725 1 730 . 1 . 1 59 59 TYR HD1 H 1 7.242 0.00 . 1 . . . . . 59 TYR HD1 . 51725 1 731 . 1 . 1 59 59 TYR HE1 H 1 6.871 0.00 . 1 . . . . . 59 TYR HE1 . 51725 1 732 . 1 . 1 59 59 TYR C C 13 177.203 0.00 . 1 . . . . . 59 TYR CO . 51725 1 733 . 1 . 1 59 59 TYR CA C 13 58.243 0.00 . 1 . . . . . 59 TYR CA . 51725 1 734 . 1 . 1 59 59 TYR CB C 13 39.919 0.00 . 1 . . . . . 59 TYR CB . 51725 1 735 . 1 . 1 59 59 TYR CD1 C 13 133.564 0.00 . 1 . . . . . 59 TYR CD1 . 51725 1 736 . 1 . 1 59 59 TYR CE1 C 13 118.526 0.00 . 1 . . . . . 59 TYR CE1 . 51725 1 737 . 1 . 1 59 59 TYR N N 15 115.867 0.00 . 1 . . . . . 59 TYR N . 51725 1 738 . 1 . 1 60 60 ASN H H 1 8.159 0.00 . 1 . . . . . 60 ASN HN . 51725 1 739 . 1 . 1 60 60 ASN HA H 1 4.336 0.00 . 1 . . . . . 60 ASN HA . 51725 1 740 . 1 . 1 60 60 ASN HB2 H 1 2.783 0.00 . 1 . . . . . 60 ASN HB2 . 51725 1 741 . 1 . 1 60 60 ASN HB3 H 1 3.293 0.00 . 1 . . . . . 60 ASN HB3 . 51725 1 742 . 1 . 1 60 60 ASN HD21 H 1 7.555 0.00 . 1 . . . . . 60 ASN HD21 . 51725 1 743 . 1 . 1 60 60 ASN HD22 H 1 6.826 0.00 . 1 . . . . . 60 ASN HD22 . 51725 1 744 . 1 . 1 60 60 ASN C C 13 176.792 0.00 . 1 . . . . . 60 ASN CO . 51725 1 745 . 1 . 1 60 60 ASN CA C 13 54.074 0.00 . 1 . . . . . 60 ASN CA . 51725 1 746 . 1 . 1 60 60 ASN CB C 13 37.300 0.00 . 1 . . . . . 60 ASN CB . 51725 1 747 . 1 . 1 60 60 ASN CG C 13 180.915 0.01 . 1 . . . . . 60 ASN CG . 51725 1 748 . 1 . 1 60 60 ASN N N 15 116.054 0.00 . 1 . . . . . 60 ASN N . 51725 1 749 . 1 . 1 60 60 ASN ND2 N 15 111.576 0.00 . 1 . . . . . 60 ASN ND2 . 51725 1 750 . 1 . 1 61 61 ILE H H 1 7.244 0.00 . 1 . . . . . 61 ILE HN . 51725 1 751 . 1 . 1 61 61 ILE HA H 1 3.354 0.00 . 1 . . . . . 61 ILE HA . 51725 1 752 . 1 . 1 61 61 ILE HB H 1 1.377 0.00 . 1 . . . . . 61 ILE HB . 51725 1 753 . 1 . 1 61 61 ILE HG12 H 1 1.081 0.00 . 1 . . . . . 61 ILE HG12 . 51725 1 754 . 1 . 1 61 61 ILE HG13 H 1 -0.392 0.00 . 1 . . . . . 61 ILE HG13 . 51725 1 755 . 1 . 1 61 61 ILE HG21 H 1 0.458 0.00 . 1 . . . . . 61 ILE MG . 51725 1 756 . 1 . 1 61 61 ILE HG22 H 1 0.458 0.00 . 1 . . . . . 61 ILE MG . 51725 1 757 . 1 . 1 61 61 ILE HG23 H 1 0.458 0.00 . 1 . . . . . 61 ILE MG . 51725 1 758 . 1 . 1 61 61 ILE HD11 H 1 0.400 0.00 . 1 . . . . . 61 ILE MD . 51725 1 759 . 1 . 1 61 61 ILE HD12 H 1 0.400 0.00 . 1 . . . . . 61 ILE MD . 51725 1 760 . 1 . 1 61 61 ILE HD13 H 1 0.400 0.00 . 1 . . . . . 61 ILE MD . 51725 1 761 . 1 . 1 61 61 ILE C C 13 177.058 0.00 . 1 . . . . . 61 ILE CO . 51725 1 762 . 1 . 1 61 61 ILE CA C 13 62.393 0.00 . 1 . . . . . 61 ILE CA . 51725 1 763 . 1 . 1 61 61 ILE CB C 13 36.665 0.00 . 1 . . . . . 61 ILE CB . 51725 1 764 . 1 . 1 61 61 ILE CG1 C 13 28.139 0.00 . 1 . . . . . 61 ILE CG1 . 51725 1 765 . 1 . 1 61 61 ILE CG2 C 13 17.174 0.00 . 1 . . . . . 61 ILE CG2 . 51725 1 766 . 1 . 1 61 61 ILE CD1 C 13 14.340 0.00 . 1 . . . . . 61 ILE CD1 . 51725 1 767 . 1 . 1 61 61 ILE N N 15 119.000 0.01 . 1 . . . . . 61 ILE N . 51725 1 768 . 1 . 1 62 62 GLN H H 1 7.627 0.00 . 1 . . . . . 62 GLN HN . 51725 1 769 . 1 . 1 62 62 GLN HA H 1 4.466 0.00 . 1 . . . . . 62 GLN HA . 51725 1 770 . 1 . 1 62 62 GLN HB2 H 1 2.230 0.00 . 1 . . . . . 62 GLN HB2 . 51725 1 771 . 1 . 1 62 62 GLN HB3 H 1 1.873 0.00 . 1 . . . . . 62 GLN HB3 . 51725 1 772 . 1 . 1 62 62 GLN HG2 H 1 2.350 0.00 . 1 . . . . . 62 GLN HG2 . 51725 1 773 . 1 . 1 62 62 GLN HG3 H 1 2.292 0.00 . 1 . . . . . 62 GLN HG3 . 51725 1 774 . 1 . 1 62 62 GLN HE21 H 1 7.287 0.00 . 1 . . . . . 62 GLN HE21 . 51725 1 775 . 1 . 1 62 62 GLN HE22 H 1 6.825 0.00 . 1 . . . . . 62 GLN HE22 . 51725 1 776 . 1 . 1 62 62 GLN C C 13 178.265 0.00 . 1 . . . . . 62 GLN CO . 51725 1 777 . 1 . 1 62 62 GLN CA C 13 53.555 0.00 . 1 . . . . . 62 GLN CA . 51725 1 778 . 1 . 1 62 62 GLN CB C 13 31.596 0.00 . 1 . . . . . 62 GLN CB . 51725 1 779 . 1 . 1 62 62 GLN CG C 13 33.366 0.00 . 1 . . . . . 62 GLN CG . 51725 1 780 . 1 . 1 62 62 GLN CD C 13 183.173 0.01 . 1 . . . . . 62 GLN CD . 51725 1 781 . 1 . 1 62 62 GLN N N 15 125.024 0.01 . 1 . . . . . 62 GLN N . 51725 1 782 . 1 . 1 62 62 GLN NE2 N 15 112.485 0.00 . 1 . . . . . 62 GLN NE2 . 51725 1 783 . 1 . 1 63 63 LYS H H 1 8.491 0.00 . 1 . . . . . 63 LYS HN . 51725 1 784 . 1 . 1 63 63 LYS HA H 1 3.960 0.00 . 1 . . . . . 63 LYS HA . 51725 1 785 . 1 . 1 63 63 LYS HB2 H 1 1.871 0.00 . 1 . . . . . 63 LYS HB2 . 51725 1 786 . 1 . 1 63 63 LYS HB3 H 1 2.028 0.00 . 1 . . . . . 63 LYS HB3 . 51725 1 787 . 1 . 1 63 63 LYS HG2 H 1 1.467 0.00 . 1 . . . . . 63 LYS HG2 . 51725 1 788 . 1 . 1 63 63 LYS HD2 H 1 1.717 0.00 . 1 . . . . . 63 LYS HD2 . 51725 1 789 . 1 . 1 63 63 LYS HE2 H 1 3.015 0.00 . 1 . . . . . 63 LYS HE2 . 51725 1 790 . 1 . 1 63 63 LYS C C 13 178.262 0.00 . 1 . . . . . 63 LYS CO . 51725 1 791 . 1 . 1 63 63 LYS CA C 13 57.806 0.00 . 1 . . . . . 63 LYS CA . 51725 1 792 . 1 . 1 63 63 LYS CB C 13 32.534 0.01 . 1 . . . . . 63 LYS CB . 51725 1 793 . 1 . 1 63 63 LYS CG C 13 23.852 0.00 . 1 . . . . . 63 LYS CG . 51725 1 794 . 1 . 1 63 63 LYS CD C 13 29.763 0.00 . 1 . . . . . 63 LYS CD . 51725 1 795 . 1 . 1 63 63 LYS CE C 13 41.996 0.00 . 1 . . . . . 63 LYS CE . 51725 1 796 . 1 . 1 63 63 LYS N N 15 120.680 0.01 . 1 . . . . . 63 LYS N . 51725 1 797 . 1 . 1 64 64 GLU H H 1 9.338 0.00 . 1 . . . . . 64 GLU HN . 51725 1 798 . 1 . 1 64 64 GLU HA H 1 3.302 0.00 . 1 . . . . . 64 GLU HA . 51725 1 799 . 1 . 1 64 64 GLU HB2 H 1 2.510 0.00 . 1 . . . . . 64 GLU HB2 . 51725 1 800 . 1 . 1 64 64 GLU HB3 H 1 2.389 0.00 . 1 . . . . . 64 GLU HB3 . 51725 1 801 . 1 . 1 64 64 GLU HG2 H 1 2.214 0.00 . 1 . . . . . 64 GLU HG2 . 51725 1 802 . 1 . 1 64 64 GLU HG3 H 1 2.214 0.00 . 1 . . . . . 64 GLU HG3 . 51725 1 803 . 1 . 1 64 64 GLU C C 13 177.751 0.00 . 1 . . . . . 64 GLU CO . 51725 1 804 . 1 . 1 64 64 GLU CA C 13 58.312 0.00 . 1 . . . . . 64 GLU CA . 51725 1 805 . 1 . 1 64 64 GLU CB C 13 25.945 0.00 . 1 . . . . . 64 GLU CB . 51725 1 806 . 1 . 1 64 64 GLU CG C 13 37.319 0.00 . 1 . . . . . 64 GLU CG . 51725 1 807 . 1 . 1 64 64 GLU N N 15 114.814 0.01 . 1 . . . . . 64 GLU N . 51725 1 808 . 1 . 1 65 65 SER H H 1 7.674 0.00 . 1 . . . . . 65 SER HN . 51725 1 809 . 1 . 1 65 65 SER HA H 1 4.606 0.00 . 1 . . . . . 65 SER HA . 51725 1 810 . 1 . 1 65 65 SER HB2 H 1 3.896 0.00 . 1 . . . . . 65 SER HB2 . 51725 1 811 . 1 . 1 65 65 SER HB3 H 1 3.625 0.00 . 1 . . . . . 65 SER HB3 . 51725 1 812 . 1 . 1 65 65 SER C C 13 174.514 0.00 . 1 . . . . . 65 SER CO . 51725 1 813 . 1 . 1 65 65 SER CA C 13 60.848 0.00 . 1 . . . . . 65 SER CA . 51725 1 814 . 1 . 1 65 65 SER CB C 13 64.897 0.01 . 1 . . . . . 65 SER CB . 51725 1 815 . 1 . 1 65 65 SER N N 15 115.051 0.00 . 1 . . . . . 65 SER N . 51725 1 816 . 1 . 1 66 66 THR H H 1 8.712 0.00 . 1 . . . . . 66 THR HN . 51725 1 817 . 1 . 1 66 66 THR HA H 1 5.263 0.00 . 1 . . . . . 66 THR HA . 51725 1 818 . 1 . 1 66 66 THR HB H 1 4.047 0.00 . 1 . . . . . 66 THR HB . 51725 1 819 . 1 . 1 66 66 THR HG21 H 1 0.918 0.00 . 1 . . . . . 66 THR MG . 51725 1 820 . 1 . 1 66 66 THR HG22 H 1 0.918 0.00 . 1 . . . . . 66 THR MG . 51725 1 821 . 1 . 1 66 66 THR HG23 H 1 0.918 0.00 . 1 . . . . . 66 THR MG . 51725 1 822 . 1 . 1 66 66 THR C C 13 176.248 0.00 . 1 . . . . . 66 THR CO . 51725 1 823 . 1 . 1 66 66 THR CA C 13 62.431 0.00 . 1 . . . . . 66 THR CA . 51725 1 824 . 1 . 1 66 66 THR CB C 13 70.245 0.00 . 1 . . . . . 66 THR CB . 51725 1 825 . 1 . 1 66 66 THR CG2 C 13 21.488 0.00 . 1 . . . . . 66 THR CG2 . 51725 1 826 . 1 . 1 66 66 THR N N 15 117.535 0.01 . 1 . . . . . 66 THR N . 51725 1 827 . 1 . 1 67 67 LEU H H 1 9.433 0.00 . 1 . . . . . 67 LEU HN . 51725 1 828 . 1 . 1 67 67 LEU HA H 1 5.052 0.00 . 1 . . . . . 67 LEU HA . 51725 1 829 . 1 . 1 67 67 LEU HB2 H 1 1.623 0.00 . 1 . . . . . 67 LEU HB2 . 51725 1 830 . 1 . 1 67 67 LEU HB3 H 1 1.592 0.00 . 1 . . . . . 67 LEU HB3 . 51725 1 831 . 1 . 1 67 67 LEU HG H 1 1.754 0.00 . 1 . . . . . 67 LEU HG . 51725 1 832 . 1 . 1 67 67 LEU HD11 H 1 0.684 0.00 . 1 . . . . . 67 LEU MD1 . 51725 1 833 . 1 . 1 67 67 LEU HD12 H 1 0.684 0.00 . 1 . . . . . 67 LEU MD1 . 51725 1 834 . 1 . 1 67 67 LEU HD13 H 1 0.684 0.00 . 1 . . . . . 67 LEU MD1 . 51725 1 835 . 1 . 1 67 67 LEU HD21 H 1 0.655 0.00 . 1 . . . . . 67 LEU MD2 . 51725 1 836 . 1 . 1 67 67 LEU HD22 H 1 0.655 0.00 . 1 . . . . . 67 LEU MD2 . 51725 1 837 . 1 . 1 67 67 LEU HD23 H 1 0.655 0.00 . 1 . . . . . 67 LEU MD2 . 51725 1 838 . 1 . 1 67 67 LEU C C 13 177.686 0.00 . 1 . . . . . 67 LEU CO . 51725 1 839 . 1 . 1 67 67 LEU CA C 13 53.758 0.00 . 1 . . . . . 67 LEU CA . 51725 1 840 . 1 . 1 67 67 LEU CB C 13 44.246 0.01 . 1 . . . . . 67 LEU CB . 51725 1 841 . 1 . 1 67 67 LEU CG C 13 29.397 0.00 . 1 . . . . . 67 LEU CG . 51725 1 842 . 1 . 1 67 67 LEU CD1 C 13 24.831 0.00 . 1 . . . . . 67 LEU CD1 . 51725 1 843 . 1 . 1 67 67 LEU CD2 C 13 25.136 0.00 . 1 . . . . . 67 LEU CD2 . 51725 1 844 . 1 . 1 67 67 LEU N N 15 127.976 0.01 . 1 . . . . . 67 LEU N . 51725 1 845 . 1 . 1 68 68 HIS H H 1 9.235 0.00 . 1 . . . . . 68 HIS HN . 51725 1 846 . 1 . 1 68 68 HIS HA H 1 5.160 0.00 . 1 . . . . . 68 HIS HA . 51725 1 847 . 1 . 1 68 68 HIS HB2 H 1 3.033 0.00 . 1 . . . . . 68 HIS HB2 . 51725 1 848 . 1 . 1 68 68 HIS HB3 H 1 2.853 0.00 . 1 . . . . . 68 HIS HB3 . 51725 1 849 . 1 . 1 68 68 HIS HE1 H 1 6.898 0.00 . 1 . . . . . 68 HIS HE1 . 51725 1 850 . 1 . 1 68 68 HIS C C 13 176.502 0.00 . 1 . . . . . 68 HIS CO . 51725 1 851 . 1 . 1 68 68 HIS CA C 13 56.130 0.00 . 1 . . . . . 68 HIS CA . 51725 1 852 . 1 . 1 68 68 HIS CB C 13 32.391 0.00 . 1 . . . . . 68 HIS CB . 51725 1 853 . 1 . 1 68 68 HIS CE1 C 13 119.318 0.00 . 1 . . . . . 68 HIS CE1 . 51725 1 854 . 1 . 1 68 68 HIS N N 15 119.891 0.00 . 1 . . . . . 68 HIS N . 51725 1 855 . 1 . 1 69 69 LEU H H 1 8.298 0.00 . 1 . . . . . 69 LEU HN . 51725 1 856 . 1 . 1 69 69 LEU HA H 1 5.165 0.00 . 1 . . . . . 69 LEU HA . 51725 1 857 . 1 . 1 69 69 LEU HB2 H 1 1.567 0.00 . 1 . . . . . 69 LEU HB2 . 51725 1 858 . 1 . 1 69 69 LEU HB3 H 1 1.073 0.00 . 1 . . . . . 69 LEU HB3 . 51725 1 859 . 1 . 1 69 69 LEU HG H 1 1.304 0.00 . 1 . . . . . 69 LEU HG . 51725 1 860 . 1 . 1 69 69 LEU HD11 H 1 0.849 0.00 . 1 . . . . . 69 LEU MD1 . 51725 1 861 . 1 . 1 69 69 LEU HD12 H 1 0.849 0.00 . 1 . . . . . 69 LEU MD1 . 51725 1 862 . 1 . 1 69 69 LEU HD13 H 1 0.849 0.00 . 1 . . . . . 69 LEU MD1 . 51725 1 863 . 1 . 1 69 69 LEU HD21 H 1 0.717 0.00 . 1 . . . . . 69 LEU MD2 . 51725 1 864 . 1 . 1 69 69 LEU HD22 H 1 0.717 0.00 . 1 . . . . . 69 LEU MD2 . 51725 1 865 . 1 . 1 69 69 LEU HD23 H 1 0.717 0.00 . 1 . . . . . 69 LEU MD2 . 51725 1 866 . 1 . 1 69 69 LEU C C 13 177.860 0.00 . 1 . . . . . 69 LEU CO . 51725 1 867 . 1 . 1 69 69 LEU CA C 13 53.638 0.00 . 1 . . . . . 69 LEU CA . 51725 1 868 . 1 . 1 69 69 LEU CB C 13 44.208 0.01 . 1 . . . . . 69 LEU CB . 51725 1 869 . 1 . 1 69 69 LEU CG C 13 27.518 0.00 . 1 . . . . . 69 LEU CG . 51725 1 870 . 1 . 1 69 69 LEU CD1 C 13 23.843 0.00 . 1 . . . . . 69 LEU CD1 . 51725 1 871 . 1 . 1 69 69 LEU CD2 C 13 25.999 0.00 . 1 . . . . . 69 LEU CD2 . 51725 1 872 . 1 . 1 69 69 LEU N N 15 123.924 0.00 . 1 . . . . . 69 LEU N . 51725 1 873 . 1 . 1 70 70 VAL H H 1 9.204 0.00 . 1 . . . . . 70 VAL HN . 51725 1 874 . 1 . 1 70 70 VAL HA H 1 4.328 0.00 . 1 . . . . . 70 VAL HA . 51725 1 875 . 1 . 1 70 70 VAL HB H 1 1.993 0.00 . 1 . . . . . 70 VAL HB . 51725 1 876 . 1 . 1 70 70 VAL HG11 H 1 0.920 0.00 . 1 . . . . . 70 VAL MG1 . 51725 1 877 . 1 . 1 70 70 VAL HG12 H 1 0.920 0.00 . 1 . . . . . 70 VAL MG1 . 51725 1 878 . 1 . 1 70 70 VAL HG13 H 1 0.920 0.00 . 1 . . . . . 70 VAL MG1 . 51725 1 879 . 1 . 1 70 70 VAL HG21 H 1 0.833 0.00 . 1 . . . . . 70 VAL MG2 . 51725 1 880 . 1 . 1 70 70 VAL HG22 H 1 0.833 0.00 . 1 . . . . . 70 VAL MG2 . 51725 1 881 . 1 . 1 70 70 VAL HG23 H 1 0.833 0.00 . 1 . . . . . 70 VAL MG2 . 51725 1 882 . 1 . 1 70 70 VAL C C 13 176.570 0.00 . 1 . . . . . 70 VAL CO . 51725 1 883 . 1 . 1 70 70 VAL CA C 13 60.644 0.00 . 1 . . . . . 70 VAL CA . 51725 1 884 . 1 . 1 70 70 VAL CB C 13 34.652 0.00 . 1 . . . . . 70 VAL CB . 51725 1 885 . 1 . 1 70 70 VAL CG1 C 13 21.275 0.00 . 1 . . . . . 70 VAL CG1 . 51725 1 886 . 1 . 1 70 70 VAL CG2 C 13 20.649 0.00 . 1 . . . . . 70 VAL CG2 . 51725 1 887 . 1 . 1 70 70 VAL N N 15 127.403 0.01 . 1 . . . . . 70 VAL N . 51725 1 888 . 1 . 1 71 71 LEU H H 1 8.136 0.00 . 1 . . . . . 71 LEU HN . 51725 1 889 . 1 . 1 71 71 LEU HA H 1 5.020 0.00 . 1 . . . . . 71 LEU HA . 51725 1 890 . 1 . 1 71 71 LEU HB2 H 1 1.518 0.00 . 1 . . . . . 71 LEU HB2 . 51725 1 891 . 1 . 1 71 71 LEU HB3 H 1 1.669 0.00 . 1 . . . . . 71 LEU HB3 . 51725 1 892 . 1 . 1 71 71 LEU HG H 1 1.658 0.00 . 1 . . . . . 71 LEU HG . 51725 1 893 . 1 . 1 71 71 LEU HD11 H 1 0.957 0.00 . 1 . . . . . 71 LEU MD1 . 51725 1 894 . 1 . 1 71 71 LEU HD12 H 1 0.957 0.00 . 1 . . . . . 71 LEU MD1 . 51725 1 895 . 1 . 1 71 71 LEU HD13 H 1 0.957 0.00 . 1 . . . . . 71 LEU MD1 . 51725 1 896 . 1 . 1 71 71 LEU HD21 H 1 0.854 0.00 . 1 . . . . . 71 LEU MD2 . 51725 1 897 . 1 . 1 71 71 LEU HD22 H 1 0.854 0.00 . 1 . . . . . 71 LEU MD2 . 51725 1 898 . 1 . 1 71 71 LEU HD23 H 1 0.854 0.00 . 1 . . . . . 71 LEU MD2 . 51725 1 899 . 1 . 1 71 71 LEU C C 13 180.371 0.00 . 1 . . . . . 71 LEU CO . 51725 1 900 . 1 . 1 71 71 LEU CA C 13 53.922 0.00 . 1 . . . . . 71 LEU CA . 51725 1 901 . 1 . 1 71 71 LEU CB C 13 42.662 0.00 . 1 . . . . . 71 LEU CB . 51725 1 902 . 1 . 1 71 71 LEU CG C 13 27.520 0.00 . 1 . . . . . 71 LEU CG . 51725 1 903 . 1 . 1 71 71 LEU CD1 C 13 24.962 0.00 . 1 . . . . . 71 LEU CD1 . 51725 1 904 . 1 . 1 71 71 LEU CD2 C 13 23.871 0.00 . 1 . . . . . 71 LEU CD2 . 51725 1 905 . 1 . 1 71 71 LEU N N 15 123.495 0.00 . 1 . . . . . 71 LEU N . 51725 1 906 . 1 . 1 72 72 ARG H H 1 8.630 0.00 . 1 . . . . . 72 ARG HN . 51725 1 907 . 1 . 1 72 72 ARG HA H 1 4.264 0.00 . 1 . . . . . 72 ARG HA . 51725 1 908 . 1 . 1 72 72 ARG HB2 H 1 1.519 0.00 . 1 . . . . . 72 ARG HB2 . 51725 1 909 . 1 . 1 72 72 ARG HB3 H 1 1.746 0.00 . 1 . . . . . 72 ARG HB3 . 51725 1 910 . 1 . 1 72 72 ARG HG2 H 1 1.526 0.00 . 1 . . . . . 72 ARG HG2 . 51725 1 911 . 1 . 1 72 72 ARG HD2 H 1 3.131 0.00 . 1 . . . . . 72 ARG HD2 . 51725 1 912 . 1 . 1 72 72 ARG C C 13 177.850 0.00 . 1 . . . . . 72 ARG CO . 51725 1 913 . 1 . 1 72 72 ARG CA C 13 55.550 0.00 . 1 . . . . . 72 ARG CA . 51725 1 914 . 1 . 1 72 72 ARG CB C 13 31.239 0.03 . 1 . . . . . 72 ARG CB . 51725 1 915 . 1 . 1 72 72 ARG CG C 13 27.173 0.00 . 1 . . . . . 72 ARG CG . 51725 1 916 . 1 . 1 72 72 ARG CD C 13 43.344 0.00 . 1 . . . . . 72 ARG CD . 51725 1 917 . 1 . 1 72 72 ARG N N 15 123.916 0.01 . 1 . . . . . 72 ARG N . 51725 1 918 . 1 . 1 73 73 LEU H H 1 8.368 0.00 . 1 . . . . . 73 LEU HN . 51725 1 919 . 1 . 1 73 73 LEU HA H 1 4.387 0.00 . 1 . . . . . 73 LEU HA . 51725 1 920 . 1 . 1 73 73 LEU HB2 H 1 1.544 0.00 . 1 . . . . . 73 LEU HB2 . 51725 1 921 . 1 . 1 73 73 LEU HB3 H 1 1.632 0.00 . 1 . . . . . 73 LEU HB3 . 51725 1 922 . 1 . 1 73 73 LEU HG H 1 1.617 0.00 . 1 . . . . . 73 LEU HG . 51725 1 923 . 1 . 1 73 73 LEU HD11 H 1 0.914 0.00 . 1 . . . . . 73 LEU MD1 . 51725 1 924 . 1 . 1 73 73 LEU HD12 H 1 0.914 0.00 . 1 . . . . . 73 LEU MD1 . 51725 1 925 . 1 . 1 73 73 LEU HD13 H 1 0.914 0.00 . 1 . . . . . 73 LEU MD1 . 51725 1 926 . 1 . 1 73 73 LEU HD21 H 1 0.863 0.00 . 1 . . . . . 73 LEU MD2 . 51725 1 927 . 1 . 1 73 73 LEU HD22 H 1 0.863 0.00 . 1 . . . . . 73 LEU MD2 . 51725 1 928 . 1 . 1 73 73 LEU HD23 H 1 0.863 0.00 . 1 . . . . . 73 LEU MD2 . 51725 1 929 . 1 . 1 73 73 LEU C C 13 179.952 0.00 . 1 . . . . . 73 LEU CO . 51725 1 930 . 1 . 1 73 73 LEU CA C 13 54.744 0.00 . 1 . . . . . 73 LEU CA . 51725 1 931 . 1 . 1 73 73 LEU CB C 13 42.392 0.02 . 1 . . . . . 73 LEU CB . 51725 1 932 . 1 . 1 73 73 LEU CG C 13 27.047 0.00 . 1 . . . . . 73 LEU CG . 51725 1 933 . 1 . 1 73 73 LEU CD1 C 13 24.900 0.00 . 1 . . . . . 73 LEU CD1 . 51725 1 934 . 1 . 1 73 73 LEU CD2 C 13 23.278 0.00 . 1 . . . . . 73 LEU CD2 . 51725 1 935 . 1 . 1 73 73 LEU N N 15 124.539 0.01 . 1 . . . . . 73 LEU N . 51725 1 936 . 1 . 1 74 74 ARG H H 1 8.449 0.00 . 1 . . . . . 74 ARG HN . 51725 1 937 . 1 . 1 74 74 ARG HA H 1 4.290 0.00 . 1 . . . . . 74 ARG HA . 51725 1 938 . 1 . 1 74 74 ARG HB2 H 1 1.783 0.00 . 1 . . . . . 74 ARG HB2 . 51725 1 939 . 1 . 1 74 74 ARG HB3 H 1 1.855 0.00 . 1 . . . . . 74 ARG HB3 . 51725 1 940 . 1 . 1 74 74 ARG HG2 H 1 1.593 0.00 . 1 . . . . . 74 ARG HG2 . 51725 1 941 . 1 . 1 74 74 ARG HG3 H 1 1.671 0.00 . 1 . . . . . 74 ARG HG3 . 51725 1 942 . 1 . 1 74 74 ARG HD2 H 1 3.195 0.00 . 1 . . . . . 74 ARG HD2 . 51725 1 943 . 1 . 1 74 74 ARG CA C 13 56.493 0.00 . 1 . . . . . 74 ARG CA . 51725 1 944 . 1 . 1 74 74 ARG CB C 13 30.576 0.01 . 1 . . . . . 74 ARG CB . 51725 1 945 . 1 . 1 74 74 ARG CG C 13 27.029 0.00 . 1 . . . . . 74 ARG CG . 51725 1 946 . 1 . 1 74 74 ARG CD C 13 43.261 0.00 . 1 . . . . . 74 ARG CD . 51725 1 947 . 1 . 1 74 74 ARG N N 15 122.099 0.01 . 1 . . . . . 74 ARG N . 51725 1 948 . 1 . 1 75 75 GLY H H 1 8.498 0.00 . 1 . . . . . 75 GLY HN . 51725 1 949 . 1 . 1 75 75 GLY HA2 H 1 3.971 0.00 . 1 . . . . . 75 GLY HA2 . 51725 1 950 . 1 . 1 75 75 GLY HA3 H 1 3.939 0.00 . 1 . . . . . 75 GLY HA3 . 51725 1 951 . 1 . 1 75 75 GLY C C 13 176.172 0.00 . 1 . . . . . 75 GLY CO . 51725 1 952 . 1 . 1 75 75 GLY CA C 13 45.197 0.00 . 1 . . . . . 75 GLY CA . 51725 1 953 . 1 . 1 75 75 GLY N N 15 111.164 0.00 . 1 . . . . . 75 GLY N . 51725 1 954 . 1 . 1 76 76 GLY H H 1 7.954 0.00 . 1 . . . . . 76 GLY HN . 51725 1 955 . 1 . 1 76 76 GLY HA2 H 1 3.721 0.00 . 1 . . . . . 76 GLY HA2 . 51725 1 956 . 1 . 1 76 76 GLY HA3 H 1 3.805 0.00 . 1 . . . . . 76 GLY HA3 . 51725 1 957 . 1 . 1 76 76 GLY CA C 13 45.973 0.00 . 1 . . . . . 76 GLY CA . 51725 1 958 . 1 . 1 76 76 GLY N N 15 115.171 0.01 . 1 . . . . . 76 GLY N . 51725 1 stop_ save_