data_51721 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51721 _Entry.Title ; NMR assignment of ethyl-azide-tagged Ubiquitin-T12C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-12-06 _Entry.Accession_date 2022-12-06 _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 . . . . 51721 2 Kostiantyn Bohdan . . . . 51721 3 Moritz Hommrich . . . . 51721 4 Fabio Julia . . . . 51721 5 Lara Vogelsang . . . . 51721 6 Jurgen Eirich . . . . 51721 7 Rene Zang . . . . 51721 8 Christophe Fares . . . 0000-0001-6709-5057 51721 9 Lingnau Julia . B. . . 51721 10 Dwaipayan Mukhopadhyay . . . . 51721 11 Johanna Mengeler . M. . . 51721 12 Alessandro Vetere . . . . 51721 13 Heike Hinrichs . . . . 51721 14 Stefan Becker . . . . 51721 15 Nina Morgner . . . . 51721 16 Wolfgang Schrader . . . . 51721 17 Iris Finkemeier . . . . 51721 18 Karl-Josef Dietz . . . . 51721 19 Christian Griesinger . . . . 51721 20 Tobias Ritter . . . 0000-0002-6957-450X 51721 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' . 51721 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51721 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 51721 '15N chemical shifts' 78 51721 '1H chemical shifts' 547 51721 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 2022-12-06 update BMRB 'update entry citation' 51721 1 . . 2023-12-15 2022-12-06 original author 'original release' 51721 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51725 'Ubiquitin-T12C (apo)' 51721 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51721 _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. . . . 51721 1 2 Kostiantyn Bohdan K. . . . 51721 1 3 Moritz Hommrich M. . . . 51721 1 4 Fabio Julia F. . . . 51721 1 5 Lara Vogelsang L. . . . 51721 1 6 Jurgen Eirich J. . . . 51721 1 7 Rene Zangl R. . . . 51721 1 8 Christophe Fares C. . . . 51721 1 9 'Julia Beatrice' Jacobs J. B. . . 51721 1 10 Dwaipayan Mukhopadhyay D. . . . 51721 1 11 'Johanna Marie' Mengeler J. M. . . 51721 1 12 Alessandro Vetere A. . . . 51721 1 13 'Marie Sophie' Sterling M. S. . . 51721 1 14 Heike Hinrichs H. . . . 51721 1 15 Stefan Becker S. . . . 51721 1 16 Nina Morgner N. . . . 51721 1 17 Wolfgang Schrader W. . . . 51721 1 18 Iris Finkemeier I. . . . 51721 1 19 Karl-Josef Dietz K. J. . . 51721 1 20 Christian Griesinger C. . . . 51721 1 21 Tobias Ritter T. . . . 51721 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51721 _Assembly.ID 1 _Assembly.Name 'Ubiquitin-T12C with ethyl-azide thio tag at position C12' _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 . . . 51721 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51721 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQIFVKTLTGKXITLEVEPS 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 yes _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 other bound' _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 'ethylazide tag on cysteine-12' _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 51721 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 . 51721 1 2 . GLN . 51721 1 3 . ILE . 51721 1 4 . PHE . 51721 1 5 . VAL . 51721 1 6 . LYS . 51721 1 7 . THR . 51721 1 8 . LEU . 51721 1 9 . THR . 51721 1 10 . GLY . 51721 1 11 . LYS . 51721 1 12 . X . 51721 1 13 . ILE . 51721 1 14 . THR . 51721 1 15 . LEU . 51721 1 16 . GLU . 51721 1 17 . VAL . 51721 1 18 . GLU . 51721 1 19 . PRO . 51721 1 20 . SER . 51721 1 21 . ASP . 51721 1 22 . THR . 51721 1 23 . ILE . 51721 1 24 . GLU . 51721 1 25 . ASN . 51721 1 26 . VAL . 51721 1 27 . LYS . 51721 1 28 . ALA . 51721 1 29 . LYS . 51721 1 30 . ILE . 51721 1 31 . GLN . 51721 1 32 . ASP . 51721 1 33 . LYS . 51721 1 34 . GLU . 51721 1 35 . GLY . 51721 1 36 . ILE . 51721 1 37 . PRO . 51721 1 38 . PRO . 51721 1 39 . ASP . 51721 1 40 . GLN . 51721 1 41 . GLN . 51721 1 42 . ARG . 51721 1 43 . LEU . 51721 1 44 . ILE . 51721 1 45 . PHE . 51721 1 46 . ALA . 51721 1 47 . GLY . 51721 1 48 . LYS . 51721 1 49 . GLN . 51721 1 50 . LEU . 51721 1 51 . GLU . 51721 1 52 . ASP . 51721 1 53 . GLY . 51721 1 54 . ARG . 51721 1 55 . THR . 51721 1 56 . LEU . 51721 1 57 . SER . 51721 1 58 . ASP . 51721 1 59 . TYR . 51721 1 60 . ASN . 51721 1 61 . ILE . 51721 1 62 . GLN . 51721 1 63 . LYS . 51721 1 64 . GLU . 51721 1 65 . SER . 51721 1 66 . THR . 51721 1 67 . LEU . 51721 1 68 . HIS . 51721 1 69 . LEU . 51721 1 70 . VAL . 51721 1 71 . LEU . 51721 1 72 . ARG . 51721 1 73 . LEU . 51721 1 74 . ARG . 51721 1 75 . GLY . 51721 1 76 . GLY . 51721 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 51721 1 . GLN 2 2 51721 1 . ILE 3 3 51721 1 . PHE 4 4 51721 1 . VAL 5 5 51721 1 . LYS 6 6 51721 1 . THR 7 7 51721 1 . LEU 8 8 51721 1 . THR 9 9 51721 1 . GLY 10 10 51721 1 . LYS 11 11 51721 1 . X 12 12 51721 1 . ILE 13 13 51721 1 . THR 14 14 51721 1 . LEU 15 15 51721 1 . GLU 16 16 51721 1 . VAL 17 17 51721 1 . GLU 18 18 51721 1 . PRO 19 19 51721 1 . SER 20 20 51721 1 . ASP 21 21 51721 1 . THR 22 22 51721 1 . ILE 23 23 51721 1 . GLU 24 24 51721 1 . ASN 25 25 51721 1 . VAL 26 26 51721 1 . LYS 27 27 51721 1 . ALA 28 28 51721 1 . LYS 29 29 51721 1 . ILE 30 30 51721 1 . GLN 31 31 51721 1 . ASP 32 32 51721 1 . LYS 33 33 51721 1 . GLU 34 34 51721 1 . GLY 35 35 51721 1 . ILE 36 36 51721 1 . PRO 37 37 51721 1 . PRO 38 38 51721 1 . ASP 39 39 51721 1 . GLN 40 40 51721 1 . GLN 41 41 51721 1 . ARG 42 42 51721 1 . LEU 43 43 51721 1 . ILE 44 44 51721 1 . PHE 45 45 51721 1 . ALA 46 46 51721 1 . GLY 47 47 51721 1 . LYS 48 48 51721 1 . GLN 49 49 51721 1 . LEU 50 50 51721 1 . GLU 51 51 51721 1 . ASP 52 52 51721 1 . GLY 53 53 51721 1 . ARG 54 54 51721 1 . THR 55 55 51721 1 . LEU 56 56 51721 1 . SER 57 57 51721 1 . ASP 58 58 51721 1 . TYR 59 59 51721 1 . ASN 60 60 51721 1 . ILE 61 61 51721 1 . GLN 62 62 51721 1 . LYS 63 63 51721 1 . GLU 64 64 51721 1 . SER 65 65 51721 1 . THR 66 66 51721 1 . LEU 67 67 51721 1 . HIS 68 68 51721 1 . LEU 69 69 51721 1 . VAL 70 70 51721 1 . LEU 71 71 51721 1 . ARG 72 72 51721 1 . LEU 73 73 51721 1 . ARG 74 74 51721 1 . GLY 75 75 51721 1 . GLY 76 76 51721 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 51721 _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 . . . . . . . . . . . . 51721 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 51721 _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 . . . 51721 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51721 _Sample.ID 1 _Sample.Name 'Ubiquitin-T12C with ethyl-azide thio tag at position C12' _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 'Ubiquitin-T12C with ethyl-azide thio tag at position C12' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 0.4 1 mM . . . . 51721 1 2 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 51721 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51721 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 51721 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 51721 _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 51721 1 pH 7 . pH 51721 1 pressure 1 . atm 51721 1 temperature 298 . K 51721 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51721 _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' . 51721 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51721 _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' . 51721 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51721 _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 . 51721 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 51721 _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 51721 _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-15N HSQC' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51721 1 2 '2D 1H-13C HSQC-CT' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51721 1 3 '2D 1H-13C HSQC aromatic' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51721 1 4 '3D HNCO' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51721 1 5 '3D HNCA' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51721 1 6 '3D CBCA(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51721 1 7 '3D HBHA(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51721 1 8 '3D H(CCO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51721 1 9 '3D C(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51721 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-15N HSQC' HBC-HA-387-01.zip . 'NMR experiment directory' . 5/ 51721 1 2 '2D 1H-13C HSQC-CT' HBC-HA-387-01.zip . 'NMR experiment directory' . 26/ 51721 1 3 '2D 1H-13C HSQC aromatic' HBC-HA-387-01.zip . 'NMR experiment directory' . 23/ 51721 1 4 '3D HNCO' HBC-HA-387-01.zip . 'NMR experiment directory' . 13/ 51721 1 5 '3D HNCA' HBC-HA-387-01.zip . 'NMR experiment directory' . 14/ 51721 1 6 '3D CBCA(CO)NH' HBC-HA-387-01.zip . 'NMR experiment directory' . 16/ 51721 1 7 '3D HBHA(CO)NH' HBC-HA-387-01.zip . 'NMR experiment directory' . 17/ 51721 1 8 '3D H(CCO)NH' HBC-HA-387-01.zip . 'NMR experiment directory' . 18/ 51721 1 9 '3D C(CO)NH' HBC-HA-387-01.zip . 'NMR experiment directory' . 19/ 51721 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 51721 _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 . . . . . 51721 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51721 1 N 15 DSS nitrogen . . . . ppm 0 na direct 1 . . . . . 51721 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51721 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name UBQT12Cazide _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51721 1 2 '2D 1H-13C HSQC-CT' . . . 51721 1 3 '2D 1H-13C HSQC aromatic' . . . 51721 1 4 '3D HNCO' . . . 51721 1 5 '3D HNCA' . . . 51721 1 6 '3D CBCA(CO)NH' . . . 51721 1 7 '3D HBHA(CO)NH' . . . 51721 1 8 '3D H(CCO)NH' . . . 51721 1 9 '3D C(CO)NH' . . . 51721 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 . . 51721 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 4.206 0.00 . 1 . . . . . 1 MET HA . 51721 1 2 . 1 . 1 1 1 MET HB2 H 1 2.046 0.00 . 1 . . . . . 1 MET HB2 . 51721 1 3 . 1 . 1 1 1 MET HB3 H 1 2.101 0.00 . 1 . . . . . 1 MET HB3 . 51721 1 4 . 1 . 1 1 1 MET HG2 H 1 2.529 0.00 . 1 . . . . . 1 MET HG2 . 51721 1 5 . 1 . 1 1 1 MET HG3 H 1 1.956 0.00 . 1 . . . . . 1 MET HG3 . 51721 1 6 . 1 . 1 1 1 MET HE1 H 1 1.645 0.00 . 1 . . . . . 1 MET ME . 51721 1 7 . 1 . 1 1 1 MET HE2 H 1 1.645 0.00 . 1 . . . . . 1 MET ME . 51721 1 8 . 1 . 1 1 1 MET HE3 H 1 1.645 0.00 . 1 . . . . . 1 MET ME . 51721 1 9 . 1 . 1 1 1 MET C C 13 173.079 0.00 . 1 . . . . . 1 MET CO . 51721 1 10 . 1 . 1 1 1 MET CA C 13 54.411 0.00 . 1 . . . . . 1 MET CA . 51721 1 11 . 1 . 1 1 1 MET CB C 13 33.065 0.00 . 1 . . . . . 1 MET CB . 51721 1 12 . 1 . 1 1 1 MET CG C 13 30.777 0.00 . 1 . . . . . 1 MET CG . 51721 1 13 . 1 . 1 1 1 MET CE C 13 17.695 0.00 . 1 . . . . . 1 MET CE . 51721 1 14 . 1 . 1 2 2 GLN H H 1 8.931 0.00 . 1 . . . . . 2 GLN HN . 51721 1 15 . 1 . 1 2 2 GLN HA H 1 5.310 0.00 . 1 . . . . . 2 GLN HA . 51721 1 16 . 1 . 1 2 2 GLN HB2 H 1 1.859 0.00 . 1 . . . . . 2 GLN HB2 . 51721 1 17 . 1 . 1 2 2 GLN HB3 H 1 1.633 0.00 . 1 . . . . . 2 GLN HB3 . 51721 1 18 . 1 . 1 2 2 GLN HG2 H 1 2.268 0.00 . 1 . . . . . 2 GLN HG2 . 51721 1 19 . 1 . 1 2 2 GLN HG3 H 1 1.950 0.00 . 1 . . . . . 2 GLN HG3 . 51721 1 20 . 1 . 1 2 2 GLN HE21 H 1 7.673 0.00 . 1 . . . . . 2 GLN HE21 . 51721 1 21 . 1 . 1 2 2 GLN HE22 H 1 6.880 0.01 . 1 . . . . . 2 GLN HE22 . 51721 1 22 . 1 . 1 2 2 GLN C C 13 178.560 0.00 . 1 . . . . . 2 GLN CO . 51721 1 23 . 1 . 1 2 2 GLN CA C 13 55.035 0.00 . 1 . . . . . 2 GLN CA . 51721 1 24 . 1 . 1 2 2 GLN CB C 13 30.477 0.00 . 1 . . . . . 2 GLN CB . 51721 1 25 . 1 . 1 2 2 GLN CG C 13 34.513 0.00 . 1 . . . . . 2 GLN CG . 51721 1 26 . 1 . 1 2 2 GLN CD C 13 182.391 0.00 . 1 . . . . . 2 GLN CD . 51721 1 27 . 1 . 1 2 2 GLN N N 15 122.892 0.02 . 1 . . . . . 2 GLN N . 51721 1 28 . 1 . 1 2 2 GLN NE2 N 15 112.295 0.30 . 1 . . . . . 2 GLN NE2 . 51721 1 29 . 1 . 1 3 3 ILE H H 1 8.340 0.00 . 1 . . . . . 3 ILE HN . 51721 1 30 . 1 . 1 3 3 ILE HA H 1 4.094 0.00 . 1 . . . . . 3 ILE HA . 51721 1 31 . 1 . 1 3 3 ILE HB H 1 1.768 0.00 . 1 . . . . . 3 ILE HB . 51721 1 32 . 1 . 1 3 3 ILE HG12 H 1 0.682 0.00 . 1 . . . . . 3 ILE HG12 . 51721 1 33 . 1 . 1 3 3 ILE HG21 H 1 0.614 0.00 . 1 . . . . . 3 ILE HG2 . 51721 1 34 . 1 . 1 3 3 ILE HG22 H 1 0.614 0.00 . 1 . . . . . 3 ILE HG2 . 51721 1 35 . 1 . 1 3 3 ILE HG23 H 1 0.614 0.00 . 1 . . . . . 3 ILE HG2 . 51721 1 36 . 1 . 1 3 3 ILE HD11 H 1 0.587 0.00 . 1 . . . . . 3 ILE HD11 . 51721 1 37 . 1 . 1 3 3 ILE HD12 H 1 0.587 0.00 . 1 . . . . . 3 ILE HD11 . 51721 1 38 . 1 . 1 3 3 ILE HD13 H 1 0.587 0.00 . 1 . . . . . 3 ILE HD11 . 51721 1 39 . 1 . 1 3 3 ILE C C 13 174.850 0.00 . 1 . . . . . 3 ILE CO . 51721 1 40 . 1 . 1 3 3 ILE CA C 13 59.574 0.00 . 1 . . . . . 3 ILE CA . 51721 1 41 . 1 . 1 3 3 ILE CB C 13 42.003 0.00 . 1 . . . . . 3 ILE CB . 51721 1 42 . 1 . 1 3 3 ILE CG1 C 13 24.791 0.00 . 1 . . . . . 3 ILE CG1 . 51721 1 43 . 1 . 1 3 3 ILE CG2 C 13 17.808 0.00 . 1 . . . . . 3 ILE CG2 . 51721 1 44 . 1 . 1 3 3 ILE CD1 C 13 14.208 0.00 . 1 . . . . . 3 ILE CD1 . 51721 1 45 . 1 . 1 3 3 ILE N N 15 115.245 0.01 . 1 . . . . . 3 ILE N . 51721 1 46 . 1 . 1 4 4 PHE H H 1 8.570 0.01 . 1 . . . . . 4 PHE HN . 51721 1 47 . 1 . 1 4 4 PHE HA H 1 5.734 0.00 . 1 . . . . . 4 PHE HA . 51721 1 48 . 1 . 1 4 4 PHE HB2 H 1 3.016 0.00 . 1 . . . . . 4 PHE HB2 . 51721 1 49 . 1 . 1 4 4 PHE HB3 H 1 3.121 0.00 . 1 . . . . . 4 PHE HB3 . 51721 1 50 . 1 . 1 4 4 PHE HD1 H 1 7.087 0.00 . 1 . . . . . 4 PHE HD1 . 51721 1 51 . 1 . 1 4 4 PHE HD2 H 1 7.087 0.00 . 1 . . . . . 4 PHE HD2 . 51721 1 52 . 1 . 1 4 4 PHE HE1 H 1 7.219 0.00 . 1 . . . . . 4 PHE HE1 . 51721 1 53 . 1 . 1 4 4 PHE HE2 H 1 7.219 0.00 . 1 . . . . . 4 PHE HE2 . 51721 1 54 . 1 . 1 4 4 PHE HZ H 1 7.207 0.00 . 1 . . . . . 4 PHE HZ . 51721 1 55 . 1 . 1 4 4 PHE C C 13 177.644 0.00 . 1 . . . . . 4 PHE CO . 51721 1 56 . 1 . 1 4 4 PHE CA C 13 54.658 0.00 . 1 . . . . . 4 PHE CA . 51721 1 57 . 1 . 1 4 4 PHE CB C 13 41.281 0.00 . 1 . . . . . 4 PHE CB . 51721 1 58 . 1 . 1 4 4 PHE CD1 C 13 131.922 0.00 . 1 . . . . . 4 PHE CD1 . 51721 1 59 . 1 . 1 4 4 PHE CD2 C 13 131.922 0.00 . 1 . . . . . 4 PHE CD2 . 51721 1 60 . 1 . 1 4 4 PHE CE1 C 13 130.777 0.00 . 1 . . . . . 4 PHE CE1 . 51721 1 61 . 1 . 1 4 4 PHE CE2 C 13 130.777 0.00 . 1 . . . . . 4 PHE CE2 . 51721 1 62 . 1 . 1 4 4 PHE CZ C 13 129.253 0.00 . 1 . . . . . 4 PHE CZ . 51721 1 63 . 1 . 1 4 4 PHE N N 15 118.904 0.08 . 1 . . . . . 4 PHE N . 51721 1 64 . 1 . 1 5 5 VAL H H 1 9.312 0.00 . 1 . . . . . 5 VAL HN . 51721 1 65 . 1 . 1 5 5 VAL HA H 1 4.791 0.00 . 1 . . . . . 5 VAL HA . 51721 1 66 . 1 . 1 5 5 VAL HB H 1 1.883 0.00 . 1 . . . . . 5 VAL HB . 51721 1 67 . 1 . 1 5 5 VAL HG11 H 1 0.675 0.00 . 1 . . . . . 5 VAL MG1 . 51721 1 68 . 1 . 1 5 5 VAL HG12 H 1 0.675 0.00 . 1 . . . . . 5 VAL MG1 . 51721 1 69 . 1 . 1 5 5 VAL HG13 H 1 0.675 0.00 . 1 . . . . . 5 VAL MG1 . 51721 1 70 . 1 . 1 5 5 VAL HG21 H 1 0.730 0.00 . 1 . . . . . 5 VAL MG2 . 51721 1 71 . 1 . 1 5 5 VAL HG22 H 1 0.730 0.00 . 1 . . . . . 5 VAL MG2 . 51721 1 72 . 1 . 1 5 5 VAL HG23 H 1 0.730 0.00 . 1 . . . . . 5 VAL MG2 . 51721 1 73 . 1 . 1 5 5 VAL C C 13 177.244 0.00 . 1 . . . . . 5 VAL CO . 51721 1 74 . 1 . 1 5 5 VAL CA C 13 60.321 0.00 . 1 . . . . . 5 VAL CA . 51721 1 75 . 1 . 1 5 5 VAL CB C 13 34.185 0.00 . 1 . . . . . 5 VAL CB . 51721 1 76 . 1 . 1 5 5 VAL CG1 C 13 22.292 0.00 . 1 . . . . . 5 VAL CG1 . 51721 1 77 . 1 . 1 5 5 VAL CG2 C 13 20.831 0.00 . 1 . . . . . 5 VAL CG2 . 51721 1 78 . 1 . 1 5 5 VAL N N 15 121.589 0.02 . 1 . . . . . 5 VAL N . 51721 1 79 . 1 . 1 6 6 LYS H H 1 8.933 0.00 . 1 . . . . . 6 LYS HN . 51721 1 80 . 1 . 1 6 6 LYS HA H 1 5.368 0.00 . 1 . . . . . 6 LYS HA . 51721 1 81 . 1 . 1 6 6 LYS HB2 H 1 1.392 0.00 . 1 . . . . . 6 LYS HB2 . 51721 1 82 . 1 . 1 6 6 LYS HB3 H 1 1.698 0.00 . 1 . . . . . 6 LYS HB3 . 51721 1 83 . 1 . 1 6 6 LYS HG2 H 1 1.306 0.00 . 1 . . . . . 6 LYS HG2 . 51721 1 84 . 1 . 1 6 6 LYS HG3 H 1 1.389 0.00 . 1 . . . . . 6 LYS HG3 . 51721 1 85 . 1 . 1 6 6 LYS HD2 H 1 1.580 0.00 . 1 . . . . . 6 LYS HD2 . 51721 1 86 . 1 . 1 6 6 LYS HE2 H 1 2.867 0.00 . 1 . . . . . 6 LYS HE2 . 51721 1 87 . 1 . 1 6 6 LYS HE3 H 1 2.899 0.00 . 1 . . . . . 6 LYS HE3 . 51721 1 88 . 1 . 1 6 6 LYS C C 13 179.736 0.00 . 1 . . . . . 6 LYS CO . 51721 1 89 . 1 . 1 6 6 LYS CA C 13 54.407 0.00 . 1 . . . . . 6 LYS CA . 51721 1 90 . 1 . 1 6 6 LYS CB C 13 34.635 0.00 . 1 . . . . . 6 LYS CB . 51721 1 91 . 1 . 1 6 6 LYS CG C 13 25.285 0.00 . 1 . . . . . 6 LYS CG . 51721 1 92 . 1 . 1 6 6 LYS CD C 13 29.414 0.00 . 1 . . . . . 6 LYS CD . 51721 1 93 . 1 . 1 6 6 LYS CE C 13 41.870 0.00 . 1 . . . . . 6 LYS CE . 51721 1 94 . 1 . 1 6 6 LYS N N 15 127.446 0.01 . 1 . . . . . 6 LYS N . 51721 1 95 . 1 . 1 7 7 THR H H 1 8.667 0.00 . 1 . . . . . 7 THR HN . 51721 1 96 . 1 . 1 7 7 THR HA H 1 4.953 0.00 . 1 . . . . . 7 THR HA . 51721 1 97 . 1 . 1 7 7 THR HB H 1 4.841 0.00 . 1 . . . . . 7 THR HB . 51721 1 98 . 1 . 1 7 7 THR HG21 H 1 1.164 0.00 . 1 . . . . . 7 THR MG . 51721 1 99 . 1 . 1 7 7 THR HG22 H 1 1.164 0.00 . 1 . . . . . 7 THR MG . 51721 1 100 . 1 . 1 7 7 THR HG23 H 1 1.164 0.00 . 1 . . . . . 7 THR MG . 51721 1 101 . 1 . 1 7 7 THR C C 13 179.544 0.00 . 1 . . . . . 7 THR CO . 51721 1 102 . 1 . 1 7 7 THR CA C 13 60.309 0.00 . 1 . . . . . 7 THR CA . 51721 1 103 . 1 . 1 7 7 THR CB C 13 70.615 0.00 . 1 . . . . . 7 THR CB . 51721 1 104 . 1 . 1 7 7 THR CG2 C 13 21.466 0.00 . 1 . . . . . 7 THR CG2 . 51721 1 105 . 1 . 1 7 7 THR N N 15 115.166 0.01 . 1 . . . . . 7 THR N . 51721 1 106 . 1 . 1 8 8 LEU H H 1 9.146 0.00 . 1 . . . . . 8 LEU HN . 51721 1 107 . 1 . 1 8 8 LEU HA H 1 4.281 0.00 . 1 . . . . . 8 LEU HA . 51721 1 108 . 1 . 1 8 8 LEU HB2 H 1 1.747 0.00 . 1 . . . . . 8 LEU HB2 . 51721 1 109 . 1 . 1 8 8 LEU HB3 H 1 1.923 0.00 . 1 . . . . . 8 LEU HB3 . 51721 1 110 . 1 . 1 8 8 LEU HG H 1 1.876 0.00 . 1 . . . . . 8 LEU HG . 51721 1 111 . 1 . 1 8 8 LEU HD11 H 1 1.034 0.00 . 1 . . . . . 8 LEU MD1 . 51721 1 112 . 1 . 1 8 8 LEU HD12 H 1 1.034 0.00 . 1 . . . . . 8 LEU MD1 . 51721 1 113 . 1 . 1 8 8 LEU HD13 H 1 1.034 0.00 . 1 . . . . . 8 LEU MD1 . 51721 1 114 . 1 . 1 8 8 LEU HD21 H 1 0.967 0.00 . 1 . . . . . 8 LEU MD2 . 51721 1 115 . 1 . 1 8 8 LEU HD22 H 1 0.967 0.00 . 1 . . . . . 8 LEU MD2 . 51721 1 116 . 1 . 1 8 8 LEU HD23 H 1 0.967 0.00 . 1 . . . . . 8 LEU MD2 . 51721 1 117 . 1 . 1 8 8 LEU C C 13 181.370 0.00 . 1 . . . . . 8 LEU CO . 51721 1 118 . 1 . 1 8 8 LEU CA C 13 57.479 0.00 . 1 . . . . . 8 LEU CA . 51721 1 119 . 1 . 1 8 8 LEU CB C 13 41.783 0.00 . 1 . . . . . 8 LEU CB . 51721 1 120 . 1 . 1 8 8 LEU CG C 13 27.227 0.00 . 1 . . . . . 8 LEU CG . 51721 1 121 . 1 . 1 8 8 LEU CD1 C 13 25.238 0.00 . 1 . . . . . 8 LEU CD1 . 51721 1 122 . 1 . 1 8 8 LEU CD2 C 13 23.678 0.00 . 1 . . . . . 8 LEU CD2 . 51721 1 123 . 1 . 1 8 8 LEU N N 15 121.482 0.02 . 1 . . . . . 8 LEU N . 51721 1 124 . 1 . 1 9 9 THR H H 1 7.626 0.00 . 1 . . . . . 9 THR HN . 51721 1 125 . 1 . 1 9 9 THR HA H 1 4.403 0.00 . 1 . . . . . 9 THR HA . 51721 1 126 . 1 . 1 9 9 THR HB H 1 4.569 0.00 . 1 . . . . . 9 THR HB . 51721 1 127 . 1 . 1 9 9 THR HG21 H 1 1.252 0.00 . 1 . . . . . 9 THR MG . 51721 1 128 . 1 . 1 9 9 THR HG22 H 1 1.252 0.00 . 1 . . . . . 9 THR MG . 51721 1 129 . 1 . 1 9 9 THR HG23 H 1 1.252 0.00 . 1 . . . . . 9 THR MG . 51721 1 130 . 1 . 1 9 9 THR C C 13 178.039 0.00 . 1 . . . . . 9 THR CO . 51721 1 131 . 1 . 1 9 9 THR CA C 13 61.358 0.00 . 1 . . . . . 9 THR CA . 51721 1 132 . 1 . 1 9 9 THR CB C 13 68.962 0.00 . 1 . . . . . 9 THR CB . 51721 1 133 . 1 . 1 9 9 THR CG2 C 13 21.798 0.00 . 1 . . . . . 9 THR CG2 . 51721 1 134 . 1 . 1 9 9 THR N N 15 105.875 0.03 . 1 . . . . . 9 THR N . 51721 1 135 . 1 . 1 10 10 GLY H H 1 7.863 0.00 . 1 . . . . . 10 GLY HN . 51721 1 136 . 1 . 1 10 10 GLY HA2 H 1 3.564 0.00 . 1 . . . . . 10 GLY HA2 . 51721 1 137 . 1 . 1 10 10 GLY HA3 H 1 4.327 0.00 . 1 . . . . . 10 GLY HA3 . 51721 1 138 . 1 . 1 10 10 GLY C C 13 176.470 0.00 . 1 . . . . . 10 GLY CO . 51721 1 139 . 1 . 1 10 10 GLY CA C 13 45.228 0.00 . 1 . . . . . 10 GLY CA . 51721 1 140 . 1 . 1 10 10 GLY N N 15 109.454 0.01 . 1 . . . . . 10 GLY N . 51721 1 141 . 1 . 1 11 11 LYS H H 1 7.237 0.00 . 1 . . . . . 11 LYS HN . 51721 1 142 . 1 . 1 11 11 LYS HA H 1 4.217 0.00 . 1 . . . . . 11 LYS HA . 51721 1 143 . 1 . 1 11 11 LYS HB2 H 1 1.667 0.00 . 1 . . . . . 11 LYS HB2 . 51721 1 144 . 1 . 1 11 11 LYS HB3 H 1 1.787 0.00 . 1 . . . . . 11 LYS HB3 . 51721 1 145 . 1 . 1 11 11 LYS HG2 H 1 1.217 0.00 . 1 . . . . . 11 LYS HG2 . 51721 1 146 . 1 . 1 11 11 LYS HG3 H 1 1.381 0.00 . 1 . . . . . 11 LYS HG3 . 51721 1 147 . 1 . 1 11 11 LYS HD2 H 1 1.611 0.00 . 1 . . . . . 11 LYS HD2 . 51721 1 148 . 1 . 1 11 11 LYS HE2 H 1 2.932 0.00 . 1 . . . . . 11 LYS HE2 . 51721 1 149 . 1 . 1 11 11 LYS C C 13 177.426 0.00 . 1 . . . . . 11 LYS CO . 51721 1 150 . 1 . 1 11 11 LYS CA C 13 56.417 0.00 . 1 . . . . . 11 LYS CA . 51721 1 151 . 1 . 1 11 11 LYS CB C 13 33.109 0.00 . 1 . . . . . 11 LYS CB . 51721 1 152 . 1 . 1 11 11 LYS CG C 13 25.105 0.00 . 1 . . . . . 11 LYS CG . 51721 1 153 . 1 . 1 11 11 LYS CD C 13 29.388 0.00 . 1 . . . . . 11 LYS CD . 51721 1 154 . 1 . 1 11 11 LYS CE C 13 41.871 0.00 . 1 . . . . . 11 LYS CE . 51721 1 155 . 1 . 1 11 11 LYS N N 15 121.681 0.03 . 1 . . . . . 11 LYS N . 51721 1 156 . 1 . 1 12 12 X H H 1 8.704 0.00 . 1 . . . . . 12 CYS HN . 51721 1 157 . 1 . 1 12 12 X HA H 1 5.207 0.00 . 1 . . . . . 12 CYS HA . 51721 1 158 . 1 . 1 12 12 X HB2 H 1 2.892 0.00 . 1 . . . . . 12 CYS HB2 . 51721 1 159 . 1 . 1 12 12 X HB3 H 1 2.824 0.00 . 1 . . . . . 12 CYS HB3 . 51721 1 160 . 1 . 1 12 12 X HD2 H 1 2.421 0.00 . 1 . . . . . 12 CYS HD2 . 51721 1 161 . 1 . 1 12 12 X HD3 H 1 2.388 0.00 . 1 . . . . . 12 CYS HD3 . 51721 1 162 . 1 . 1 12 12 X HE2 H 1 3.103 0.00 . 1 . . . . . 12 CYS HE2 . 51721 1 163 . 1 . 1 12 12 X HE3 H 1 3.011 0.00 . 1 . . . . . 12 CYS HE3 . 51721 1 164 . 1 . 1 12 12 X C C 13 176.948 0.00 . 1 . . . . . 12 CYS CO . 51721 1 165 . 1 . 1 12 12 X CA C 13 55.070 0.00 . 1 . . . . . 12 CYS CA . 51721 1 166 . 1 . 1 12 12 X CB C 13 36.127 0.00 . 1 . . . . . 12 CYS CB . 51721 1 167 . 1 . 1 12 12 X CD C 13 34.718 0.00 . 1 . . . . . 12 CYS CD . 51721 1 168 . 1 . 1 12 12 X CE C 13 52.855 0.00 . 1 . . . . . 12 CYS CE . 51721 1 169 . 1 . 1 12 12 X N N 15 124.572 0.01 . 1 . . . . . 12 CYS N . 51721 1 170 . 1 . 1 13 13 ILE H H 1 9.528 0.00 . 1 . . . . . 13 ILE HN . 51721 1 171 . 1 . 1 13 13 ILE HA H 1 4.471 0.00 . 1 . . . . . 13 ILE HA . 51721 1 172 . 1 . 1 13 13 ILE HB H 1 1.876 0.00 . 1 . . . . . 13 ILE HB . 51721 1 173 . 1 . 1 13 13 ILE HG12 H 1 1.085 0.00 . 1 . . . . . 13 ILE HG12 . 51721 1 174 . 1 . 1 13 13 ILE HG13 H 1 1.477 0.00 . 1 . . . . . 13 ILE HG13 . 51721 1 175 . 1 . 1 13 13 ILE HG21 H 1 0.864 0.00 . 1 . . . . . 13 ILE MG . 51721 1 176 . 1 . 1 13 13 ILE HG22 H 1 0.864 0.00 . 1 . . . . . 13 ILE MG . 51721 1 177 . 1 . 1 13 13 ILE HG23 H 1 0.864 0.00 . 1 . . . . . 13 ILE MG . 51721 1 178 . 1 . 1 13 13 ILE HD11 H 1 0.707 0.00 . 1 . . . . . 13 ILE MD . 51721 1 179 . 1 . 1 13 13 ILE HD12 H 1 0.707 0.00 . 1 . . . . . 13 ILE MD . 51721 1 180 . 1 . 1 13 13 ILE HD13 H 1 0.707 0.00 . 1 . . . . . 13 ILE MD . 51721 1 181 . 1 . 1 13 13 ILE C C 13 177.667 0.00 . 1 . . . . . 13 ILE CO . 51721 1 182 . 1 . 1 13 13 ILE CA C 13 60.187 0.00 . 1 . . . . . 13 ILE CA . 51721 1 183 . 1 . 1 13 13 ILE CB C 13 40.809 0.00 . 1 . . . . . 13 ILE CB . 51721 1 184 . 1 . 1 13 13 ILE CG1 C 13 26.922 0.00 . 1 . . . . . 13 ILE CG1 . 51721 1 185 . 1 . 1 13 13 ILE CG2 C 13 17.670 0.00 . 1 . . . . . 13 ILE CG2 . 51721 1 186 . 1 . 1 13 13 ILE CD1 C 13 14.340 0.00 . 1 . . . . . 13 ILE CD1 . 51721 1 187 . 1 . 1 13 13 ILE N N 15 128.187 0.02 . 1 . . . . . 13 ILE N . 51721 1 188 . 1 . 1 14 14 THR H H 1 8.644 0.00 . 1 . . . . . 14 THR HN . 51721 1 189 . 1 . 1 14 14 THR HA H 1 4.997 0.00 . 1 . . . . . 14 THR HA . 51721 1 190 . 1 . 1 14 14 THR HB H 1 4.054 0.00 . 1 . . . . . 14 THR HB . 51721 1 191 . 1 . 1 14 14 THR HG21 H 1 1.168 0.00 . 1 . . . . . 14 THR MG . 51721 1 192 . 1 . 1 14 14 THR HG22 H 1 1.168 0.00 . 1 . . . . . 14 THR MG . 51721 1 193 . 1 . 1 14 14 THR HG23 H 1 1.168 0.00 . 1 . . . . . 14 THR MG . 51721 1 194 . 1 . 1 14 14 THR C C 13 176.405 0.00 . 1 . . . . . 14 THR CO . 51721 1 195 . 1 . 1 14 14 THR CA C 13 62.094 0.00 . 1 . . . . . 14 THR CA . 51721 1 196 . 1 . 1 14 14 THR CB C 13 69.545 0.00 . 1 . . . . . 14 THR CB . 51721 1 197 . 1 . 1 14 14 THR CG2 C 13 21.702 0.00 . 1 . . . . . 14 THR CG2 . 51721 1 198 . 1 . 1 14 14 THR N N 15 121.436 0.04 . 1 . . . . . 14 THR N . 51721 1 199 . 1 . 1 15 15 LEU H H 1 8.809 0.00 . 1 . . . . . 15 LEU HN . 51721 1 200 . 1 . 1 15 15 LEU HA H 1 4.731 0.00 . 1 . . . . . 15 LEU HA . 51721 1 201 . 1 . 1 15 15 LEU HB2 H 1 1.204 0.00 . 1 . . . . . 15 LEU HB2 . 51721 1 202 . 1 . 1 15 15 LEU HB3 H 1 1.365 0.00 . 1 . . . . . 15 LEU HB3 . 51721 1 203 . 1 . 1 15 15 LEU HG H 1 1.436 0.00 . 1 . . . . . 15 LEU HG . 51721 1 204 . 1 . 1 15 15 LEU HD11 H 1 0.703 0.00 . 1 . . . . . 15 LEU MD1 . 51721 1 205 . 1 . 1 15 15 LEU HD12 H 1 0.703 0.00 . 1 . . . . . 15 LEU MD1 . 51721 1 206 . 1 . 1 15 15 LEU HD13 H 1 0.703 0.00 . 1 . . . . . 15 LEU MD1 . 51721 1 207 . 1 . 1 15 15 LEU HD21 H 1 0.752 0.00 . 1 . . . . . 15 LEU MD2 . 51721 1 208 . 1 . 1 15 15 LEU HD22 H 1 0.752 0.00 . 1 . . . . . 15 LEU MD2 . 51721 1 209 . 1 . 1 15 15 LEU HD23 H 1 0.752 0.00 . 1 . . . . . 15 LEU MD2 . 51721 1 210 . 1 . 1 15 15 LEU C C 13 177.104 0.00 . 1 . . . . . 15 LEU CO . 51721 1 211 . 1 . 1 15 15 LEU CA C 13 52.530 0.00 . 1 . . . . . 15 LEU CA . 51721 1 212 . 1 . 1 15 15 LEU CB C 13 46.790 0.00 . 1 . . . . . 15 LEU CB . 51721 1 213 . 1 . 1 15 15 LEU CG C 13 26.738 0.00 . 1 . . . . . 15 LEU CG . 51721 1 214 . 1 . 1 15 15 LEU CD1 C 13 26.980 0.00 . 1 . . . . . 15 LEU CD1 . 51721 1 215 . 1 . 1 15 15 LEU CD2 C 13 24.021 0.00 . 1 . . . . . 15 LEU CD2 . 51721 1 216 . 1 . 1 15 15 LEU N N 15 125.280 0.25 . 1 . . . . . 15 LEU N . 51721 1 217 . 1 . 1 16 16 GLU H H 1 8.130 0.00 . 1 . . . . . 16 GLU HN . 51721 1 218 . 1 . 1 16 16 GLU HA H 1 4.875 0.00 . 1 . . . . . 16 GLU HA . 51721 1 219 . 1 . 1 16 16 GLU HB2 H 1 1.909 0.00 . 1 . . . . . 16 GLU HB2 . 51721 1 220 . 1 . 1 16 16 GLU HB3 H 1 1.826 0.00 . 1 . . . . . 16 GLU HB3 . 51721 1 221 . 1 . 1 16 16 GLU HG2 H 1 2.081 0.00 . 1 . . . . . 16 GLU HG2 . 51721 1 222 . 1 . 1 16 16 GLU HG3 H 1 2.224 0.00 . 1 . . . . . 16 GLU HG3 . 51721 1 223 . 1 . 1 16 16 GLU C C 13 178.361 0.00 . 1 . . . . . 16 GLU CO . 51721 1 224 . 1 . 1 16 16 GLU CA C 13 54.837 0.00 . 1 . . . . . 16 GLU CA . 51721 1 225 . 1 . 1 16 16 GLU CB C 13 29.706 0.00 . 1 . . . . . 16 GLU CB . 51721 1 226 . 1 . 1 16 16 GLU CG C 13 35.468 0.00 . 1 . . . . . 16 GLU CG . 51721 1 227 . 1 . 1 16 16 GLU N N 15 122.613 0.03 . 1 . . . . . 16 GLU N . 51721 1 228 . 1 . 1 17 17 VAL H H 1 8.952 0.00 . 1 . . . . . 17 VAL HN . 51721 1 229 . 1 . 1 17 17 VAL HA H 1 4.686 0.00 . 1 . . . . . 17 VAL HA . 51721 1 230 . 1 . 1 17 17 VAL HB H 1 2.317 0.00 . 1 . . . . . 17 VAL HB . 51721 1 231 . 1 . 1 17 17 VAL HG11 H 1 0.701 0.00 . 1 . . . . . 17 VAL MG1 . 51721 1 232 . 1 . 1 17 17 VAL HG12 H 1 0.701 0.00 . 1 . . . . . 17 VAL MG1 . 51721 1 233 . 1 . 1 17 17 VAL HG13 H 1 0.701 0.00 . 1 . . . . . 17 VAL MG1 . 51721 1 234 . 1 . 1 17 17 VAL HG21 H 1 0.418 0.00 . 1 . . . . . 17 VAL MG2 . 51721 1 235 . 1 . 1 17 17 VAL HG22 H 1 0.418 0.00 . 1 . . . . . 17 VAL MG2 . 51721 1 236 . 1 . 1 17 17 VAL HG23 H 1 0.418 0.00 . 1 . . . . . 17 VAL MG2 . 51721 1 237 . 1 . 1 17 17 VAL C C 13 176.580 0.00 . 1 . . . . . 17 VAL CO . 51721 1 238 . 1 . 1 17 17 VAL CA C 13 58.396 0.00 . 1 . . . . . 17 VAL CA . 51721 1 239 . 1 . 1 17 17 VAL CB C 13 36.346 0.00 . 1 . . . . . 17 VAL CB . 51721 1 240 . 1 . 1 17 17 VAL CG1 C 13 22.079 0.00 . 1 . . . . . 17 VAL CG1 . 51721 1 241 . 1 . 1 17 17 VAL CG2 C 13 19.484 0.00 . 1 . . . . . 17 VAL CG2 . 51721 1 242 . 1 . 1 17 17 VAL N N 15 117.654 0.01 . 1 . . . . . 17 VAL N . 51721 1 243 . 1 . 1 18 18 GLU H H 1 8.660 0.00 . 1 . . . . . 18 GLU HN . 51721 1 244 . 1 . 1 18 18 GLU HA H 1 5.056 0.00 . 1 . . . . . 18 GLU HA . 51721 1 245 . 1 . 1 18 18 GLU HB3 H 1 1.581 0.00 . 1 . . . . . 18 GLU HB3 . 51721 1 246 . 1 . 1 18 18 GLU HG2 H 1 2.171 0.04 . 1 . . . . . 18 GLU HG2 . 51721 1 247 . 1 . 1 18 18 GLU HG3 H 1 2.329 0.00 . 1 . . . . . 18 GLU HG3 . 51721 1 248 . 1 . 1 18 18 GLU CA C 13 52.684 0.00 . 1 . . . . . 18 GLU CA . 51721 1 249 . 1 . 1 18 18 GLU CB C 13 30.817 0.00 . 1 . . . . . 18 GLU CB . 51721 1 250 . 1 . 1 18 18 GLU CG C 13 35.064 0.00 . 1 . . . . . 18 GLU CG . 51721 1 251 . 1 . 1 18 18 GLU N N 15 119.368 0.01 . 1 . . . . . 18 GLU N . 51721 1 252 . 1 . 1 19 19 PRO HA H 1 4.110 0.00 . 1 . . . . . 19 PRO HA . 51721 1 253 . 1 . 1 19 19 PRO HB2 H 1 2.409 0.00 . 1 . . . . . 19 PRO HB2 . 51721 1 254 . 1 . 1 19 19 PRO HB3 H 1 1.959 0.00 . 1 . . . . . 19 PRO HB3 . 51721 1 255 . 1 . 1 19 19 PRO HG2 H 1 2.092 0.00 . 1 . . . . . 19 PRO HG2 . 51721 1 256 . 1 . 1 19 19 PRO HG3 H 1 2.036 0.00 . 1 . . . . . 19 PRO HG3 . 51721 1 257 . 1 . 1 19 19 PRO HD2 H 1 3.785 0.00 . 1 . . . . . 19 PRO HD2 . 51721 1 258 . 1 . 1 19 19 PRO HD3 H 1 3.993 0.00 . 1 . . . . . 19 PRO HD3 . 51721 1 259 . 1 . 1 19 19 PRO C C 13 177.781 0.00 . 1 . . . . . 19 PRO CO . 51721 1 260 . 1 . 1 19 19 PRO CA C 13 65.214 0.00 . 1 . . . . . 19 PRO CA . 51721 1 261 . 1 . 1 19 19 PRO CB C 13 31.730 0.01 . 1 . . . . . 19 PRO CB . 51721 1 262 . 1 . 1 19 19 PRO CG C 13 28.159 0.00 . 1 . . . . . 19 PRO CG . 51721 1 263 . 1 . 1 19 19 PRO CD C 13 50.365 0.00 . 1 . . . . . 19 PRO CD . 51721 1 264 . 1 . 1 20 20 SER H H 1 7.031 0.00 . 1 . . . . . 20 SER HN . 51721 1 265 . 1 . 1 20 20 SER HA H 1 4.348 0.00 . 1 . . . . . 20 SER HA . 51721 1 266 . 1 . 1 20 20 SER HB2 H 1 3.770 0.00 . 1 . . . . . 20 SER HB2 . 51721 1 267 . 1 . 1 20 20 SER HB3 H 1 4.140 0.00 . 1 . . . . . 20 SER HB3 . 51721 1 268 . 1 . 1 20 20 SER C C 13 177.141 0.00 . 1 . . . . . 20 SER CO . 51721 1 269 . 1 . 1 20 20 SER CA C 13 57.310 0.00 . 1 . . . . . 20 SER CA . 51721 1 270 . 1 . 1 20 20 SER CB C 13 63.362 0.00 . 1 . . . . . 20 SER CB . 51721 1 271 . 1 . 1 20 20 SER N N 15 103.487 0.02 . 1 . . . . . 20 SER N . 51721 1 272 . 1 . 1 21 21 ASP H H 1 8.061 0.00 . 1 . . . . . 21 ASP HN . 51721 1 273 . 1 . 1 21 21 ASP HA H 1 4.631 0.00 . 1 . . . . . 21 ASP HA . 51721 1 274 . 1 . 1 21 21 ASP HB2 H 1 2.501 0.00 . 1 . . . . . 21 ASP HB2 . 51721 1 275 . 1 . 1 21 21 ASP HB3 H 1 2.932 0.00 . 1 . . . . . 21 ASP HB3 . 51721 1 276 . 1 . 1 21 21 ASP C C 13 178.831 0.00 . 1 . . . . . 21 ASP CO . 51721 1 277 . 1 . 1 21 21 ASP CA C 13 55.806 0.00 . 1 . . . . . 21 ASP CA . 51721 1 278 . 1 . 1 21 21 ASP CB C 13 40.828 0.01 . 1 . . . . . 21 ASP CB . 51721 1 279 . 1 . 1 21 21 ASP N N 15 124.003 0.03 . 1 . . . . . 21 ASP N . 51721 1 280 . 1 . 1 22 22 THR H H 1 7.881 0.00 . 1 . . . . . 22 THR HN . 51721 1 281 . 1 . 1 22 22 THR HA H 1 4.895 0.00 . 1 . . . . . 22 THR HA . 51721 1 282 . 1 . 1 22 22 THR HB H 1 4.823 0.00 . 1 . . . . . 22 THR HB . 51721 1 283 . 1 . 1 22 22 THR HG21 H 1 1.251 0.00 . 1 . . . . . 22 THR MG . 51721 1 284 . 1 . 1 22 22 THR HG22 H 1 1.251 0.00 . 1 . . . . . 22 THR MG . 51721 1 285 . 1 . 1 22 22 THR HG23 H 1 1.251 0.00 . 1 . . . . . 22 THR MG . 51721 1 286 . 1 . 1 22 22 THR C C 13 179.277 0.00 . 1 . . . . . 22 THR CO . 51721 1 287 . 1 . 1 22 22 THR CA C 13 59.563 0.00 . 1 . . . . . 22 THR CA . 51721 1 288 . 1 . 1 22 22 THR CB C 13 71.036 0.00 . 1 . . . . . 22 THR CB . 51721 1 289 . 1 . 1 22 22 THR CG2 C 13 22.178 0.00 . 1 . . . . . 22 THR CG2 . 51721 1 290 . 1 . 1 22 22 THR N N 15 109.065 0.01 . 1 . . . . . 22 THR N . 51721 1 291 . 1 . 1 23 23 ILE H H 1 8.518 0.00 . 1 . . . . . 23 ILE HN . 51721 1 292 . 1 . 1 23 23 ILE HA H 1 3.623 0.00 . 1 . . . . . 23 ILE HA . 51721 1 293 . 1 . 1 23 23 ILE HB H 1 2.473 0.00 . 1 . . . . . 23 ILE HB . 51721 1 294 . 1 . 1 23 23 ILE HG12 H 1 1.900 0.00 . 1 . . . . . 23 ILE HG12 . 51721 1 295 . 1 . 1 23 23 ILE HG13 H 1 1.289 0.00 . 1 . . . . . 23 ILE HG13 . 51721 1 296 . 1 . 1 23 23 ILE HG21 H 1 0.776 0.00 . 1 . . . . . 23 ILE MG . 51721 1 297 . 1 . 1 23 23 ILE HG22 H 1 0.776 0.00 . 1 . . . . . 23 ILE MG . 51721 1 298 . 1 . 1 23 23 ILE HG23 H 1 0.776 0.00 . 1 . . . . . 23 ILE MG . 51721 1 299 . 1 . 1 23 23 ILE HD11 H 1 0.566 0.00 . 1 . . . . . 23 ILE MD . 51721 1 300 . 1 . 1 23 23 ILE HD12 H 1 0.566 0.00 . 1 . . . . . 23 ILE MD . 51721 1 301 . 1 . 1 23 23 ILE HD13 H 1 0.566 0.00 . 1 . . . . . 23 ILE MD . 51721 1 302 . 1 . 1 23 23 ILE CA C 13 62.303 0.00 . 1 . . . . . 23 ILE CA . 51721 1 303 . 1 . 1 23 23 ILE CB C 13 34.507 0.00 . 1 . . . . . 23 ILE CB . 51721 1 304 . 1 . 1 23 23 ILE CG1 C 13 27.799 0.00 . 1 . . . . . 23 ILE CG1 . 51721 1 305 . 1 . 1 23 23 ILE CG2 C 13 18.070 0.00 . 1 . . . . . 23 ILE CG2 . 51721 1 306 . 1 . 1 23 23 ILE CD1 C 13 9.245 0.00 . 1 . . . . . 23 ILE CD1 . 51721 1 307 . 1 . 1 23 23 ILE N N 15 121.341 0.01 . 1 . . . . . 23 ILE N . 51721 1 308 . 1 . 1 24 24 GLU HA H 1 3.874 0.00 . 1 . . . . . 24 GLU HA . 51721 1 309 . 1 . 1 24 24 GLU HB2 H 1 2.015 0.00 . 1 . . . . . 24 GLU HB2 . 51721 1 310 . 1 . 1 24 24 GLU HG2 H 1 2.368 0.00 . 1 . . . . . 24 GLU HG2 . 51721 1 311 . 1 . 1 24 24 GLU HG3 H 1 2.307 0.00 . 1 . . . . . 24 GLU HG3 . 51721 1 312 . 1 . 1 24 24 GLU C C 13 181.546 0.00 . 1 . . . . . 24 GLU CO . 51721 1 313 . 1 . 1 24 24 GLU CA C 13 60.661 0.00 . 1 . . . . . 24 GLU CA . 51721 1 314 . 1 . 1 24 24 GLU CB C 13 28.663 0.00 . 1 . . . . . 24 GLU CB . 51721 1 315 . 1 . 1 24 24 GLU CG C 13 36.170 0.00 . 1 . . . . . 24 GLU CG . 51721 1 316 . 1 . 1 25 25 ASN H H 1 7.930 0.00 . 1 . . . . . 25 ASN HN . 51721 1 317 . 1 . 1 25 25 ASN HA H 1 4.531 0.00 . 1 . . . . . 25 ASN HA . 51721 1 318 . 1 . 1 25 25 ASN HB2 H 1 2.852 0.00 . 1 . . . . . 25 ASN HB2 . 51721 1 319 . 1 . 1 25 25 ASN HB3 H 1 3.211 0.00 . 1 . . . . . 25 ASN HB3 . 51721 1 320 . 1 . 1 25 25 ASN HD21 H 1 7.848 0.00 . 1 . . . . . 25 ASN HD21 . 51721 1 321 . 1 . 1 25 25 ASN HD22 H 1 6.892 0.00 . 1 . . . . . 25 ASN HD22 . 51721 1 322 . 1 . 1 25 25 ASN C C 13 180.845 0.00 . 1 . . . . . 25 ASN CO . 51721 1 323 . 1 . 1 25 25 ASN CA C 13 55.914 0.00 . 1 . . . . . 25 ASN CA . 51721 1 324 . 1 . 1 25 25 ASN CB C 13 38.335 0.00 . 1 . . . . . 25 ASN CB . 51721 1 325 . 1 . 1 25 25 ASN CG C 13 178.740 0.00 . 1 . . . . . 25 ASN CG . 51721 1 326 . 1 . 1 25 25 ASN N N 15 121.500 0.01 . 1 . . . . . 25 ASN N . 51721 1 327 . 1 . 1 25 25 ASN ND2 N 15 109.839 0.26 . 1 . . . . . 25 ASN ND2 . 51721 1 328 . 1 . 1 26 26 VAL H H 1 8.115 0.00 . 1 . . . . . 26 VAL HN . 51721 1 329 . 1 . 1 26 26 VAL HA H 1 3.382 0.00 . 1 . . . . . 26 VAL HA . 51721 1 330 . 1 . 1 26 26 VAL HB H 1 2.334 0.00 . 1 . . . . . 26 VAL HB . 51721 1 331 . 1 . 1 26 26 VAL HG11 H 1 0.688 0.00 . 1 . . . . . 26 VAL MG1 . 51721 1 332 . 1 . 1 26 26 VAL HG12 H 1 0.688 0.00 . 1 . . . . . 26 VAL MG1 . 51721 1 333 . 1 . 1 26 26 VAL HG13 H 1 0.688 0.00 . 1 . . . . . 26 VAL MG1 . 51721 1 334 . 1 . 1 26 26 VAL HG21 H 1 0.970 0.00 . 1 . . . . . 26 VAL MG2 . 51721 1 335 . 1 . 1 26 26 VAL HG22 H 1 0.970 0.00 . 1 . . . . . 26 VAL MG2 . 51721 1 336 . 1 . 1 26 26 VAL HG23 H 1 0.970 0.00 . 1 . . . . . 26 VAL MG2 . 51721 1 337 . 1 . 1 26 26 VAL C C 13 180.428 0.00 . 1 . . . . . 26 VAL CO . 51721 1 338 . 1 . 1 26 26 VAL CA C 13 67.593 0.00 . 1 . . . . . 26 VAL CA . 51721 1 339 . 1 . 1 26 26 VAL CB C 13 30.697 0.00 . 1 . . . . . 26 VAL CB . 51721 1 340 . 1 . 1 26 26 VAL CG1 C 13 21.409 0.00 . 1 . . . . . 26 VAL CG1 . 51721 1 341 . 1 . 1 26 26 VAL CG2 C 13 23.522 0.00 . 1 . . . . . 26 VAL CG2 . 51721 1 342 . 1 . 1 26 26 VAL N N 15 122.299 0.01 . 1 . . . . . 26 VAL N . 51721 1 343 . 1 . 1 27 27 LYS H H 1 8.554 0.00 . 1 . . . . . 27 LYS HN . 51721 1 344 . 1 . 1 27 27 LYS HA H 1 4.576 0.00 . 1 . . . . . 27 LYS HA . 51721 1 345 . 1 . 1 27 27 LYS HB2 H 1 1.423 0.00 . 1 . . . . . 27 LYS HB2 . 51721 1 346 . 1 . 1 27 27 LYS HB3 H 1 1.992 0.00 . 1 . . . . . 27 LYS HB3 . 51721 1 347 . 1 . 1 27 27 LYS HG2 H 1 1.406 0.00 . 1 . . . . . 27 LYS HG2 . 51721 1 348 . 1 . 1 27 27 LYS HG3 H 1 1.560 0.00 . 1 . . . . . 27 LYS HG3 . 51721 1 349 . 1 . 1 27 27 LYS HD2 H 1 1.696 0.00 . 1 . . . . . 27 LYS HD2 . 51721 1 350 . 1 . 1 27 27 LYS HE2 H 1 2.626 0.00 . 1 . . . . . 27 LYS HE2 . 51721 1 351 . 1 . 1 27 27 LYS C C 13 183.029 0.00 . 1 . . . . . 27 LYS CO . 51721 1 352 . 1 . 1 27 27 LYS CA C 13 59.136 0.00 . 1 . . . . . 27 LYS CA . 51721 1 353 . 1 . 1 27 27 LYS CB C 13 33.627 0.00 . 1 . . . . . 27 LYS CB . 51721 1 354 . 1 . 1 27 27 LYS CG C 13 26.027 0.00 . 1 . . . . . 27 LYS CG . 51721 1 355 . 1 . 1 27 27 LYS CD C 13 30.423 0.00 . 1 . . . . . 27 LYS CD . 51721 1 356 . 1 . 1 27 27 LYS CE C 13 42.323 0.00 . 1 . . . . . 27 LYS CE . 51721 1 357 . 1 . 1 27 27 LYS N N 15 119.025 0.01 . 1 . . . . . 27 LYS N . 51721 1 358 . 1 . 1 28 28 ALA H H 1 7.969 0.00 . 1 . . . . . 28 ALA HN . 51721 1 359 . 1 . 1 28 28 ALA HA H 1 4.146 0.00 . 1 . . . . . 28 ALA HA . 51721 1 360 . 1 . 1 28 28 ALA HB1 H 1 1.623 0.00 . 1 . . . . . 28 ALA MB . 51721 1 361 . 1 . 1 28 28 ALA HB2 H 1 1.623 0.00 . 1 . . . . . 28 ALA MB . 51721 1 362 . 1 . 1 28 28 ALA HB3 H 1 1.623 0.00 . 1 . . . . . 28 ALA MB . 51721 1 363 . 1 . 1 28 28 ALA C C 13 182.760 0.00 . 1 . . . . . 28 ALA CO . 51721 1 364 . 1 . 1 28 28 ALA CA C 13 55.303 0.00 . 1 . . . . . 28 ALA CA . 51721 1 365 . 1 . 1 28 28 ALA CB C 13 17.630 0.00 . 1 . . . . . 28 ALA CB . 51721 1 366 . 1 . 1 28 28 ALA N N 15 123.504 0.01 . 1 . . . . . 28 ALA N . 51721 1 367 . 1 . 1 29 29 LYS H H 1 7.871 0.00 . 1 . . . . . 29 LYS HN . 51721 1 368 . 1 . 1 29 29 LYS HA H 1 4.188 0.00 . 1 . . . . . 29 LYS HA . 51721 1 369 . 1 . 1 29 29 LYS HB2 H 1 1.933 0.00 . 1 . . . . . 29 LYS HB2 . 51721 1 370 . 1 . 1 29 29 LYS HB3 H 1 2.132 0.00 . 1 . . . . . 29 LYS HB3 . 51721 1 371 . 1 . 1 29 29 LYS HG2 H 1 1.591 0.00 . 1 . . . . . 29 LYS HG2 . 51721 1 372 . 1 . 1 29 29 LYS HG3 H 1 1.787 0.00 . 1 . . . . . 29 LYS HG3 . 51721 1 373 . 1 . 1 29 29 LYS HD2 H 1 1.448 0.00 . 1 . . . . . 29 LYS HD2 . 51721 1 374 . 1 . 1 29 29 LYS HD3 H 1 1.787 0.00 . 1 . . . . . 29 LYS HD3 . 51721 1 375 . 1 . 1 29 29 LYS HE2 H 1 2.968 0.00 . 1 . . . . . 29 LYS HE2 . 51721 1 376 . 1 . 1 29 29 LYS HE3 H 1 3.168 0.00 . 1 . . . . . 29 LYS HE3 . 51721 1 377 . 1 . 1 29 29 LYS C C 13 182.839 0.00 . 1 . . . . . 29 LYS CO . 51721 1 378 . 1 . 1 29 29 LYS CA C 13 59.709 0.00 . 1 . . . . . 29 LYS CA . 51721 1 379 . 1 . 1 29 29 LYS CB C 13 33.245 0.00 . 1 . . . . . 29 LYS CB . 51721 1 380 . 1 . 1 29 29 LYS CG C 13 26.430 0.00 . 1 . . . . . 29 LYS CG . 51721 1 381 . 1 . 1 29 29 LYS CD C 13 30.173 0.00 . 1 . . . . . 29 LYS CD . 51721 1 382 . 1 . 1 29 29 LYS CE C 13 42.415 0.00 . 1 . . . . . 29 LYS CE . 51721 1 383 . 1 . 1 29 29 LYS N N 15 120.348 0.02 . 1 . . . . . 29 LYS N . 51721 1 384 . 1 . 1 30 30 ILE H H 1 8.294 0.00 . 1 . . . . . 30 ILE HN . 51721 1 385 . 1 . 1 30 30 ILE HA H 1 3.495 0.00 . 1 . . . . . 30 ILE HA . 51721 1 386 . 1 . 1 30 30 ILE HB H 1 2.345 0.00 . 1 . . . . . 30 ILE HB . 51721 1 387 . 1 . 1 30 30 ILE HG12 H 1 0.677 0.00 . 1 . . . . . 30 ILE HG12 . 51721 1 388 . 1 . 1 30 30 ILE HG13 H 1 1.995 0.00 . 1 . . . . . 30 ILE HG13 . 51721 1 389 . 1 . 1 30 30 ILE HG21 H 1 0.685 0.00 . 1 . . . . . 30 ILE MG . 51721 1 390 . 1 . 1 30 30 ILE HG22 H 1 0.685 0.00 . 1 . . . . . 30 ILE MG . 51721 1 391 . 1 . 1 30 30 ILE HG23 H 1 0.685 0.00 . 1 . . . . . 30 ILE MG . 51721 1 392 . 1 . 1 30 30 ILE HD11 H 1 0.882 0.00 . 1 . . . . . 30 ILE MD . 51721 1 393 . 1 . 1 30 30 ILE HD12 H 1 0.882 0.00 . 1 . . . . . 30 ILE MD . 51721 1 394 . 1 . 1 30 30 ILE HD13 H 1 0.882 0.00 . 1 . . . . . 30 ILE MD . 51721 1 395 . 1 . 1 30 30 ILE C C 13 180.729 0.00 . 1 . . . . . 30 ILE CO . 51721 1 396 . 1 . 1 30 30 ILE CA C 13 66.000 0.00 . 1 . . . . . 30 ILE CA . 51721 1 397 . 1 . 1 30 30 ILE CB C 13 36.710 0.00 . 1 . . . . . 30 ILE CB . 51721 1 398 . 1 . 1 30 30 ILE CG1 C 13 31.026 0.00 . 1 . . . . . 30 ILE CG1 . 51721 1 399 . 1 . 1 30 30 ILE CG2 C 13 16.980 0.00 . 1 . . . . . 30 ILE CG2 . 51721 1 400 . 1 . 1 30 30 ILE CD1 C 13 15.174 0.00 . 1 . . . . . 30 ILE CD1 . 51721 1 401 . 1 . 1 30 30 ILE N N 15 121.467 0.03 . 1 . . . . . 30 ILE N . 51721 1 402 . 1 . 1 31 31 GLN H H 1 8.551 0.00 . 1 . . . . . 31 GLN HN . 51721 1 403 . 1 . 1 31 31 GLN HA H 1 3.807 0.00 . 1 . . . . . 31 GLN HA . 51721 1 404 . 1 . 1 31 31 GLN HB2 H 1 2.483 0.00 . 1 . . . . . 31 GLN HB2 . 51721 1 405 . 1 . 1 31 31 GLN HB3 H 1 1.965 0.00 . 1 . . . . . 31 GLN HB3 . 51721 1 406 . 1 . 1 31 31 GLN HG2 H 1 2.274 0.00 . 1 . . . . . 31 GLN HG2 . 51721 1 407 . 1 . 1 31 31 GLN HG3 H 1 1.921 0.00 . 1 . . . . . 31 GLN HG3 . 51721 1 408 . 1 . 1 31 31 GLN HE21 H 1 7.659 0.00 . 1 . . . . . 31 GLN HE21 . 51721 1 409 . 1 . 1 31 31 GLN HE22 H 1 6.817 0.00 . 1 . . . . . 31 GLN HE22 . 51721 1 410 . 1 . 1 31 31 GLN C C 13 181.402 0.00 . 1 . . . . . 31 GLN CO . 51721 1 411 . 1 . 1 31 31 GLN CA C 13 59.983 0.00 . 1 . . . . . 31 GLN CA . 51721 1 412 . 1 . 1 31 31 GLN CB C 13 27.651 0.00 . 1 . . . . . 31 GLN CB . 51721 1 413 . 1 . 1 31 31 GLN CG C 13 33.742 0.00 . 1 . . . . . 31 GLN CG . 51721 1 414 . 1 . 1 31 31 GLN CD C 13 181.973 0.02 . 1 . . . . . 31 GLN CD . 51721 1 415 . 1 . 1 31 31 GLN N N 15 123.640 0.02 . 1 . . . . . 31 GLN N . 51721 1 416 . 1 . 1 31 31 GLN NE2 N 15 110.179 0.00 . 1 . . . . . 31 GLN NE2 . 51721 1 417 . 1 . 1 32 32 ASP H H 1 8.031 0.00 . 1 . . . . . 32 ASP HN . 51721 1 418 . 1 . 1 32 32 ASP HA H 1 4.322 0.00 . 1 . . . . . 32 ASP HA . 51721 1 419 . 1 . 1 32 32 ASP HB2 H 1 2.742 0.00 . 1 . . . . . 32 ASP HB2 . 51721 1 420 . 1 . 1 32 32 ASP HB3 H 1 2.828 0.00 . 1 . . . . . 32 ASP HB3 . 51721 1 421 . 1 . 1 32 32 ASP C C 13 179.856 0.00 . 1 . . . . . 32 ASP CO . 51721 1 422 . 1 . 1 32 32 ASP CA C 13 57.371 0.00 . 1 . . . . . 32 ASP CA . 51721 1 423 . 1 . 1 32 32 ASP CB C 13 40.998 0.00 . 1 . . . . . 32 ASP CB . 51721 1 424 . 1 . 1 32 32 ASP N N 15 119.850 0.01 . 1 . . . . . 32 ASP N . 51721 1 425 . 1 . 1 33 33 LYS H H 1 7.440 0.00 . 1 . . . . . 33 LYS HN . 51721 1 426 . 1 . 1 33 33 LYS HA H 1 4.299 0.00 . 1 . . . . . 33 LYS HA . 51721 1 427 . 1 . 1 33 33 LYS HB2 H 1 2.011 0.00 . 1 . . . . . 33 LYS HB2 . 51721 1 428 . 1 . 1 33 33 LYS HB3 H 1 1.837 0.00 . 1 . . . . . 33 LYS HB3 . 51721 1 429 . 1 . 1 33 33 LYS HG2 H 1 1.594 0.00 . 1 . . . . . 33 LYS HG2 . 51721 1 430 . 1 . 1 33 33 LYS HD2 H 1 1.706 0.00 . 1 . . . . . 33 LYS HD2 . 51721 1 431 . 1 . 1 33 33 LYS HE2 H 1 3.114 0.00 . 1 . . . . . 33 LYS HE2 . 51721 1 432 . 1 . 1 33 33 LYS C C 13 180.363 0.00 . 1 . . . . . 33 LYS CO . 51721 1 433 . 1 . 1 33 33 LYS CA C 13 58.130 0.00 . 1 . . . . . 33 LYS CA . 51721 1 434 . 1 . 1 33 33 LYS CB C 13 33.948 0.00 . 1 . . . . . 33 LYS CB . 51721 1 435 . 1 . 1 33 33 LYS CG C 13 25.176 0.00 . 1 . . . . . 33 LYS CG . 51721 1 436 . 1 . 1 33 33 LYS CD C 13 28.827 0.00 . 1 . . . . . 33 LYS CD . 51721 1 437 . 1 . 1 33 33 LYS CE C 13 42.130 0.00 . 1 . . . . . 33 LYS CE . 51721 1 438 . 1 . 1 33 33 LYS N N 15 115.592 0.03 . 1 . . . . . 33 LYS N . 51721 1 439 . 1 . 1 34 34 GLU H H 1 8.730 0.00 . 1 . . . . . 34 GLU HN . 51721 1 440 . 1 . 1 34 34 GLU HA H 1 4.556 0.00 . 1 . . . . . 34 GLU HA . 51721 1 441 . 1 . 1 34 34 GLU HB2 H 1 1.674 0.00 . 1 . . . . . 34 GLU HB2 . 51721 1 442 . 1 . 1 34 34 GLU HB3 H 1 2.249 0.00 . 1 . . . . . 34 GLU HB3 . 51721 1 443 . 1 . 1 34 34 GLU HG2 H 1 2.138 0.00 . 1 . . . . . 34 GLU HG2 . 51721 1 444 . 1 . 1 34 34 GLU HG3 H 1 2.055 0.00 . 1 . . . . . 34 GLU HG3 . 51721 1 445 . 1 . 1 34 34 GLU C C 13 180.479 0.00 . 1 . . . . . 34 GLU CO . 51721 1 446 . 1 . 1 34 34 GLU CA C 13 55.278 0.00 . 1 . . . . . 34 GLU CA . 51721 1 447 . 1 . 1 34 34 GLU CB C 13 33.234 0.00 . 1 . . . . . 34 GLU CB . 51721 1 448 . 1 . 1 34 34 GLU CG C 13 36.368 0.00 . 1 . . . . . 34 GLU CG . 51721 1 449 . 1 . 1 34 34 GLU N N 15 114.406 0.02 . 1 . . . . . 34 GLU N . 51721 1 450 . 1 . 1 35 35 GLY H H 1 8.500 0.00 . 1 . . . . . 35 GLY HN . 51721 1 451 . 1 . 1 35 35 GLY HA2 H 1 3.907 0.00 . 1 . . . . . 35 GLY HA2 . 51721 1 452 . 1 . 1 35 35 GLY HA3 H 1 4.122 0.00 . 1 . . . . . 35 GLY HA3 . 51721 1 453 . 1 . 1 35 35 GLY C C 13 176.479 0.00 . 1 . . . . . 35 GLY CO . 51721 1 454 . 1 . 1 35 35 GLY CA C 13 45.962 0.00 . 1 . . . . . 35 GLY CA . 51721 1 455 . 1 . 1 35 35 GLY N N 15 108.985 0.02 . 1 . . . . . 35 GLY N . 51721 1 456 . 1 . 1 36 36 ILE H H 1 6.152 0.00 . 1 . . . . . 36 ILE HN . 51721 1 457 . 1 . 1 36 36 ILE HA H 1 4.410 0.00 . 1 . . . . . 36 ILE HA . 51721 1 458 . 1 . 1 36 36 ILE HB H 1 1.410 0.00 . 1 . . . . . 36 ILE HB . 51721 1 459 . 1 . 1 36 36 ILE HG12 H 1 1.073 0.00 . 1 . . . . . 36 ILE HG12 . 51721 1 460 . 1 . 1 36 36 ILE HG21 H 1 0.923 0.00 . 1 . . . . . 36 ILE MG . 51721 1 461 . 1 . 1 36 36 ILE HG22 H 1 0.923 0.00 . 1 . . . . . 36 ILE MG . 51721 1 462 . 1 . 1 36 36 ILE HG23 H 1 0.923 0.00 . 1 . . . . . 36 ILE MG . 51721 1 463 . 1 . 1 36 36 ILE HD11 H 1 0.782 0.00 . 1 . . . . . 36 ILE MD . 51721 1 464 . 1 . 1 36 36 ILE HD12 H 1 0.782 0.00 . 1 . . . . . 36 ILE MD . 51721 1 465 . 1 . 1 36 36 ILE HD13 H 1 0.782 0.00 . 1 . . . . . 36 ILE MD . 51721 1 466 . 1 . 1 36 36 ILE CA C 13 57.743 0.00 . 1 . . . . . 36 ILE CA . 51721 1 467 . 1 . 1 36 36 ILE CB C 13 40.430 0.00 . 1 . . . . . 36 ILE CB . 51721 1 468 . 1 . 1 36 36 ILE CG1 C 13 26.906 0.00 . 1 . . . . . 36 ILE CG1 . 51721 1 469 . 1 . 1 36 36 ILE CG2 C 13 17.628 0.00 . 1 . . . . . 36 ILE CG2 . 51721 1 470 . 1 . 1 36 36 ILE CD1 C 13 13.512 0.00 . 1 . . . . . 36 ILE CD1 . 51721 1 471 . 1 . 1 36 36 ILE N N 15 120.427 0.02 . 1 . . . . . 36 ILE N . 51721 1 472 . 1 . 1 37 37 PRO HA H 1 4.620 0.00 . 1 . . . . . 37 PRO HA . 51721 1 473 . 1 . 1 37 37 PRO HB2 H 1 1.986 0.00 . 1 . . . . . 37 PRO HB2 . 51721 1 474 . 1 . 1 37 37 PRO HB3 H 1 2.428 0.00 . 1 . . . . . 37 PRO HB3 . 51721 1 475 . 1 . 1 37 37 PRO HG2 H 1 2.050 0.00 . 1 . . . . . 37 PRO HG2 . 51721 1 476 . 1 . 1 37 37 PRO HG3 H 1 2.197 0.00 . 1 . . . . . 37 PRO HG3 . 51721 1 477 . 1 . 1 37 37 PRO HD2 H 1 3.544 0.00 . 1 . . . . . 37 PRO HD2 . 51721 1 478 . 1 . 1 37 37 PRO HD3 H 1 4.185 0.00 . 1 . . . . . 37 PRO HD3 . 51721 1 479 . 1 . 1 37 37 PRO CA C 13 61.450 0.00 . 1 . . . . . 37 PRO CA . 51721 1 480 . 1 . 1 37 37 PRO CB C 13 31.764 0.00 . 1 . . . . . 37 PRO CB . 51721 1 481 . 1 . 1 37 37 PRO CG C 13 27.915 0.00 . 1 . . . . . 37 PRO CG . 51721 1 482 . 1 . 1 37 37 PRO CD C 13 50.969 0.00 . 1 . . . . . 37 PRO CD . 51721 1 483 . 1 . 1 38 38 PRO HA H 1 4.100 0.00 . 1 . . . . . 38 PRO HA . 51721 1 484 . 1 . 1 38 38 PRO HB2 H 1 2.212 0.03 . 1 . . . . . 38 PRO HB2 . 51721 1 485 . 1 . 1 38 38 PRO HB3 H 1 2.076 0.00 . 1 . . . . . 38 PRO HB3 . 51721 1 486 . 1 . 1 38 38 PRO HG3 H 1 1.634 0.00 . 1 . . . . . 38 PRO HG3 . 51721 1 487 . 1 . 1 38 38 PRO HD2 H 1 3.754 0.00 . 1 . . . . . 38 PRO HD2 . 51721 1 488 . 1 . 1 38 38 PRO HD3 H 1 3.728 0.00 . 1 . . . . . 38 PRO HD3 . 51721 1 489 . 1 . 1 38 38 PRO C C 13 180.801 0.00 . 1 . . . . . 38 PRO CO . 51721 1 490 . 1 . 1 38 38 PRO CA C 13 66.047 0.00 . 1 . . . . . 38 PRO CA . 51721 1 491 . 1 . 1 38 38 PRO CB C 13 32.638 0.00 . 1 . . . . . 38 PRO CB . 51721 1 492 . 1 . 1 38 38 PRO CG C 13 27.628 0.01 . 1 . . . . . 38 PRO CG . 51721 1 493 . 1 . 1 38 38 PRO CD C 13 51.043 0.00 . 1 . . . . . 38 PRO CD . 51721 1 494 . 1 . 1 39 39 ASP H H 1 8.531 0.00 . 1 . . . . . 39 ASP HN . 51721 1 495 . 1 . 1 39 39 ASP HA H 1 4.396 0.00 . 1 . . . . . 39 ASP HA . 51721 1 496 . 1 . 1 39 39 ASP HB2 H 1 2.656 0.00 . 1 . . . . . 39 ASP HB2 . 51721 1 497 . 1 . 1 39 39 ASP HB3 H 1 2.763 0.00 . 1 . . . . . 39 ASP HB3 . 51721 1 498 . 1 . 1 39 39 ASP C C 13 179.596 0.00 . 1 . . . . . 39 ASP CO . 51721 1 499 . 1 . 1 39 39 ASP CA C 13 55.707 0.00 . 1 . . . . . 39 ASP CA . 51721 1 500 . 1 . 1 39 39 ASP CB C 13 39.706 0.00 . 1 . . . . . 39 ASP CB . 51721 1 501 . 1 . 1 39 39 ASP N N 15 113.687 0.00 . 1 . . . . . 39 ASP N . 51721 1 502 . 1 . 1 40 40 GLN H H 1 7.820 0.00 . 1 . . . . . 40 GLN HN . 51721 1 503 . 1 . 1 40 40 GLN HA H 1 4.451 0.00 . 1 . . . . . 40 GLN HA . 51721 1 504 . 1 . 1 40 40 GLN HB2 H 1 2.456 0.00 . 1 . . . . . 40 GLN HB2 . 51721 1 505 . 1 . 1 40 40 GLN HB3 H 1 1.821 0.00 . 1 . . . . . 40 GLN HB3 . 51721 1 506 . 1 . 1 40 40 GLN HG2 H 1 2.418 0.00 . 1 . . . . . 40 GLN HG2 . 51721 1 507 . 1 . 1 40 40 GLN HG3 H 1 2.401 0.00 . 1 . . . . . 40 GLN HG3 . 51721 1 508 . 1 . 1 40 40 GLN HE21 H 1 7.691 0.00 . 1 . . . . . 40 GLN HE21 . 51721 1 509 . 1 . 1 40 40 GLN HE22 H 1 6.751 0.00 . 1 . . . . . 40 GLN HE22 . 51721 1 510 . 1 . 1 40 40 GLN C C 13 177.888 0.00 . 1 . . . . . 40 GLN CO . 51721 1 511 . 1 . 1 40 40 GLN CA C 13 55.521 0.00 . 1 . . . . . 40 GLN CA . 51721 1 512 . 1 . 1 40 40 GLN CB C 13 29.995 0.00 . 1 . . . . . 40 GLN CB . 51721 1 513 . 1 . 1 40 40 GLN CG C 13 34.313 0.00 . 1 . . . . . 40 GLN CG . 51721 1 514 . 1 . 1 40 40 GLN CD C 13 182.156 0.01 . 1 . . . . . 40 GLN CD . 51721 1 515 . 1 . 1 40 40 GLN N N 15 117.009 0.02 . 1 . . . . . 40 GLN N . 51721 1 516 . 1 . 1 40 40 GLN NE2 N 15 111.198 0.00 . 1 . . . . . 40 GLN NE2 . 51721 1 517 . 1 . 1 41 41 GLN H H 1 7.484 0.00 . 1 . . . . . 41 GLN HN . 51721 1 518 . 1 . 1 41 41 GLN HA H 1 4.210 0.00 . 1 . . . . . 41 GLN HA . 51721 1 519 . 1 . 1 41 41 GLN HB2 H 1 1.936 0.00 . 1 . . . . . 41 GLN HB2 . 51721 1 520 . 1 . 1 41 41 GLN HB3 H 1 1.893 0.00 . 1 . . . . . 41 GLN HB3 . 51721 1 521 . 1 . 1 41 41 GLN HG2 H 1 1.649 0.00 . 1 . . . . . 41 GLN HG1 . 51721 1 522 . 1 . 1 41 41 GLN HG3 H 1 2.516 0.00 . 1 . . . . . 41 GLN HG2 . 51721 1 523 . 1 . 1 41 41 GLN HE21 H 1 6.185 0.00 . 1 . . . . . 41 GLN HE21 . 51721 1 524 . 1 . 1 41 41 GLN HE22 H 1 6.516 0.00 . 1 . . . . . 41 GLN HE22 . 51721 1 525 . 1 . 1 41 41 GLN C C 13 178.683 0.00 . 1 . . . . . 41 GLN CO . 51721 1 526 . 1 . 1 41 41 GLN CA C 13 56.575 0.00 . 1 . . . . . 41 GLN CA . 51721 1 527 . 1 . 1 41 41 GLN CB C 13 31.430 0.00 . 1 . . . . . 41 GLN CB . 51721 1 528 . 1 . 1 41 41 GLN CG C 13 33.425 0.00 . 1 . . . . . 41 GLN CG . 51721 1 529 . 1 . 1 41 41 GLN CD C 13 177.351 0.01 . 1 . . . . . 41 GLN CD . 51721 1 530 . 1 . 1 41 41 GLN N N 15 118.060 0.00 . 1 . . . . . 41 GLN N . 51721 1 531 . 1 . 1 41 41 GLN NE2 N 15 104.341 0.01 . 1 . . . . . 41 GLN NE2 . 51721 1 532 . 1 . 1 42 42 ARG H H 1 8.500 0.00 . 1 . . . . . 42 ARG HN . 51721 1 533 . 1 . 1 42 42 ARG HA H 1 4.467 0.00 . 1 . . . . . 42 ARG HA . 51721 1 534 . 1 . 1 42 42 ARG HB2 H 1 1.622 0.00 . 1 . . . . . 42 ARG HB2 . 51721 1 535 . 1 . 1 42 42 ARG HB3 H 1 1.691 0.00 . 1 . . . . . 42 ARG HB3 . 51721 1 536 . 1 . 1 42 42 ARG HG2 H 1 1.387 0.00 . 1 . . . . . 42 ARG HG2 . 51721 1 537 . 1 . 1 42 42 ARG HD2 H 1 3.103 0.00 . 1 . . . . . 42 ARG HD2 . 51721 1 538 . 1 . 1 42 42 ARG HD3 H 1 3.032 0.00 . 1 . . . . . 42 ARG HD3 . 51721 1 539 . 1 . 1 42 42 ARG C C 13 176.405 0.00 . 1 . . . . . 42 ARG CO . 51721 1 540 . 1 . 1 42 42 ARG CA C 13 55.082 0.00 . 1 . . . . . 42 ARG CA . 51721 1 541 . 1 . 1 42 42 ARG CB C 13 31.654 0.00 . 1 . . . . . 42 ARG CB . 51721 1 542 . 1 . 1 42 42 ARG CG C 13 26.929 0.00 . 1 . . . . . 42 ARG CG . 51721 1 543 . 1 . 1 42 42 ARG CD C 13 43.532 0.00 . 1 . . . . . 42 ARG CD . 51721 1 544 . 1 . 1 42 42 ARG N N 15 123.147 0.02 . 1 . . . . . 42 ARG N . 51721 1 545 . 1 . 1 43 43 LEU H H 1 8.812 0.00 . 1 . . . . . 43 LEU HN . 51721 1 546 . 1 . 1 43 43 LEU HA H 1 5.374 0.00 . 1 . . . . . 43 LEU HA . 51721 1 547 . 1 . 1 43 43 LEU HB2 H 1 1.138 0.00 . 1 . . . . . 43 LEU HB2 . 51721 1 548 . 1 . 1 43 43 LEU HB3 H 1 1.549 0.00 . 1 . . . . . 43 LEU HB3 . 51721 1 549 . 1 . 1 43 43 LEU HG H 1 1.471 0.00 . 1 . . . . . 43 LEU HG . 51721 1 550 . 1 . 1 43 43 LEU HD11 H 1 0.753 0.00 . 1 . . . . . 43 LEU MD1 . 51721 1 551 . 1 . 1 43 43 LEU HD12 H 1 0.753 0.00 . 1 . . . . . 43 LEU MD1 . 51721 1 552 . 1 . 1 43 43 LEU HD13 H 1 0.753 0.00 . 1 . . . . . 43 LEU MD1 . 51721 1 553 . 1 . 1 43 43 LEU HD21 H 1 0.791 0.00 . 1 . . . . . 43 LEU MD2 . 51721 1 554 . 1 . 1 43 43 LEU HD22 H 1 0.791 0.00 . 1 . . . . . 43 LEU MD2 . 51721 1 555 . 1 . 1 43 43 LEU HD23 H 1 0.791 0.00 . 1 . . . . . 43 LEU MD2 . 51721 1 556 . 1 . 1 43 43 LEU C C 13 177.837 0.00 . 1 . . . . . 43 LEU CO . 51721 1 557 . 1 . 1 43 43 LEU CA C 13 52.932 0.00 . 1 . . . . . 43 LEU CA . 51721 1 558 . 1 . 1 43 43 LEU CB C 13 45.639 0.00 . 1 . . . . . 43 LEU CB . 51721 1 559 . 1 . 1 43 43 LEU CG C 13 27.132 0.00 . 1 . . . . . 43 LEU CG . 51721 1 560 . 1 . 1 43 43 LEU CD1 C 13 26.351 0.00 . 1 . . . . . 43 LEU CD1 . 51721 1 561 . 1 . 1 43 43 LEU CD2 C 13 24.062 0.00 . 1 . . . . . 43 LEU CD2 . 51721 1 562 . 1 . 1 43 43 LEU N N 15 124.628 0.21 . 1 . . . . . 43 LEU N . 51721 1 563 . 1 . 1 44 44 ILE H H 1 9.143 0.00 . 1 . . . . . 44 ILE HN . 51721 1 564 . 1 . 1 44 44 ILE HA H 1 4.911 0.00 . 1 . . . . . 44 ILE HA . 51721 1 565 . 1 . 1 44 44 ILE HB H 1 1.749 0.00 . 1 . . . . . 44 ILE HB . 51721 1 566 . 1 . 1 44 44 ILE HG12 H 1 1.350 0.00 . 1 . . . . . 44 ILE HG12 . 51721 1 567 . 1 . 1 44 44 ILE HG13 H 1 1.044 0.00 . 1 . . . . . 44 ILE HG13 . 51721 1 568 . 1 . 1 44 44 ILE HG21 H 1 0.674 0.00 . 1 . . . . . 44 ILE MG . 51721 1 569 . 1 . 1 44 44 ILE HG22 H 1 0.674 0.00 . 1 . . . . . 44 ILE MG . 51721 1 570 . 1 . 1 44 44 ILE HG23 H 1 0.674 0.00 . 1 . . . . . 44 ILE MG . 51721 1 571 . 1 . 1 44 44 ILE HD11 H 1 0.672 0.00 . 1 . . . . . 44 ILE MD . 51721 1 572 . 1 . 1 44 44 ILE HD12 H 1 0.672 0.00 . 1 . . . . . 44 ILE MD . 51721 1 573 . 1 . 1 44 44 ILE HD13 H 1 0.672 0.00 . 1 . . . . . 44 ILE MD . 51721 1 574 . 1 . 1 44 44 ILE C C 13 178.250 0.00 . 1 . . . . . 44 ILE CO . 51721 1 575 . 1 . 1 44 44 ILE CA C 13 58.917 0.00 . 1 . . . . . 44 ILE CA . 51721 1 576 . 1 . 1 44 44 ILE CB C 13 41.102 0.00 . 1 . . . . . 44 ILE CB . 51721 1 577 . 1 . 1 44 44 ILE CG1 C 13 27.741 0.00 . 1 . . . . . 44 ILE CG1 . 51721 1 578 . 1 . 1 44 44 ILE CG2 C 13 17.470 0.00 . 1 . . . . . 44 ILE CG2 . 51721 1 579 . 1 . 1 44 44 ILE CD1 C 13 12.638 0.00 . 1 . . . . . 44 ILE CD1 . 51721 1 580 . 1 . 1 44 44 ILE N N 15 122.561 0.02 . 1 . . . . . 44 ILE N . 51721 1 581 . 1 . 1 45 45 PHE H H 1 8.852 0.00 . 1 . . . . . 45 PHE HN . 51721 1 582 . 1 . 1 45 45 PHE HA H 1 5.176 0.00 . 1 . . . . . 45 PHE HA . 51721 1 583 . 1 . 1 45 45 PHE HB2 H 1 2.803 0.00 . 1 . . . . . 45 PHE HB2 . 51721 1 584 . 1 . 1 45 45 PHE HB3 H 1 2.995 0.00 . 1 . . . . . 45 PHE HB3 . 51721 1 585 . 1 . 1 45 45 PHE HD1 H 1 7.355 0.00 . 1 . . . . . 45 PHE HD1 . 51721 1 586 . 1 . 1 45 45 PHE HD2 H 1 7.355 0.00 . 1 . . . . . 45 PHE HD2 . 51721 1 587 . 1 . 1 45 45 PHE HE1 H 1 7.512 0.00 . 1 . . . . . 45 PHE HE1 . 51721 1 588 . 1 . 1 45 45 PHE HE2 H 1 7.512 0.00 . 1 . . . . . 45 PHE HE2 . 51721 1 589 . 1 . 1 45 45 PHE HZ H 1 7.443 0.00 . 1 . . . . . 45 PHE HZ . 51721 1 590 . 1 . 1 45 45 PHE C C 13 177.200 0.00 . 1 . . . . . 45 PHE CO . 51721 1 591 . 1 . 1 45 45 PHE CA C 13 56.417 0.00 . 1 . . . . . 45 PHE CA . 51721 1 592 . 1 . 1 45 45 PHE CB C 13 43.518 0.00 . 1 . . . . . 45 PHE CB . 51721 1 593 . 1 . 1 45 45 PHE CD1 C 13 131.946 0.00 . 1 . . . . . 45 PHE CD1 . 51721 1 594 . 1 . 1 45 45 PHE CD2 C 13 131.946 0.00 . 1 . . . . . 45 PHE CD2 . 51721 1 595 . 1 . 1 45 45 PHE CE1 C 13 132.000 0.00 . 1 . . . . . 45 PHE CE1 . 51721 1 596 . 1 . 1 45 45 PHE CE2 C 13 132.000 0.00 . 1 . . . . . 45 PHE CE2 . 51721 1 597 . 1 . 1 45 45 PHE CZ C 13 129.933 0.00 . 1 . . . . . 45 PHE CZ . 51721 1 598 . 1 . 1 45 45 PHE N N 15 125.048 0.01 . 1 . . . . . 45 PHE N . 51721 1 599 . 1 . 1 46 46 ALA H H 1 8.999 0.00 . 1 . . . . . 46 ALA HN . 51721 1 600 . 1 . 1 46 46 ALA HA H 1 3.690 0.00 . 1 . . . . . 46 ALA HA . 51721 1 601 . 1 . 1 46 46 ALA HB1 H 1 0.859 0.00 . 1 . . . . . 46 ALA MB . 51721 1 602 . 1 . 1 46 46 ALA HB2 H 1 0.859 0.00 . 1 . . . . . 46 ALA MB . 51721 1 603 . 1 . 1 46 46 ALA HB3 H 1 0.859 0.00 . 1 . . . . . 46 ALA MB . 51721 1 604 . 1 . 1 46 46 ALA C C 13 179.873 0.00 . 1 . . . . . 46 ALA CO . 51721 1 605 . 1 . 1 46 46 ALA CA C 13 52.448 0.00 . 1 . . . . . 46 ALA CA . 51721 1 606 . 1 . 1 46 46 ALA CB C 13 16.400 0.00 . 1 . . . . . 46 ALA CB . 51721 1 607 . 1 . 1 46 46 ALA N N 15 133.049 0.01 . 1 . . . . . 46 ALA N . 51721 1 608 . 1 . 1 47 47 GLY H H 1 8.113 0.00 . 1 . . . . . 47 GLY HN . 51721 1 609 . 1 . 1 47 47 GLY HA2 H 1 3.426 0.00 . 1 . . . . . 47 GLY HA2 . 51721 1 610 . 1 . 1 47 47 GLY HA3 H 1 4.087 0.00 . 1 . . . . . 47 GLY HA3 . 51721 1 611 . 1 . 1 47 47 GLY C C 13 176.261 0.00 . 1 . . . . . 47 GLY CO . 51721 1 612 . 1 . 1 47 47 GLY CA C 13 45.281 0.00 . 1 . . . . . 47 GLY CA . 51721 1 613 . 1 . 1 47 47 GLY N N 15 102.511 0.02 . 1 . . . . . 47 GLY N . 51721 1 614 . 1 . 1 48 48 LYS H H 1 7.974 0.00 . 1 . . . . . 48 LYS HN . 51721 1 615 . 1 . 1 48 48 LYS HA H 1 4.589 0.00 . 1 . . . . . 48 LYS HA . 51721 1 616 . 1 . 1 48 48 LYS HB2 H 1 1.891 0.00 . 1 . . . . . 48 LYS HB2 . 51721 1 617 . 1 . 1 48 48 LYS HG2 H 1 1.506 0.00 . 1 . . . . . 48 LYS HG2 . 51721 1 618 . 1 . 1 48 48 LYS HD2 H 1 1.851 0.00 . 1 . . . . . 48 LYS HD2 . 51721 1 619 . 1 . 1 48 48 LYS HE2 H 1 3.160 0.00 . 1 . . . . . 48 LYS HE2 . 51721 1 620 . 1 . 1 48 48 LYS C C 13 177.147 0.00 . 1 . . . . . 48 LYS CO . 51721 1 621 . 1 . 1 48 48 LYS CA C 13 54.514 0.00 . 1 . . . . . 48 LYS CA . 51721 1 622 . 1 . 1 48 48 LYS CB C 13 34.332 0.00 . 1 . . . . . 48 LYS CB . 51721 1 623 . 1 . 1 48 48 LYS CG C 13 24.413 0.00 . 1 . . . . . 48 LYS CG . 51721 1 624 . 1 . 1 48 48 LYS CD C 13 29.093 0.00 . 1 . . . . . 48 LYS CD . 51721 1 625 . 1 . 1 48 48 LYS CE C 13 42.177 0.00 . 1 . . . . . 48 LYS CE . 51721 1 626 . 1 . 1 48 48 LYS N N 15 122.118 0.03 . 1 . . . . . 48 LYS N . 51721 1 627 . 1 . 1 49 49 GLN H H 1 8.658 0.00 . 1 . . . . . 49 GLN HN . 51721 1 628 . 1 . 1 49 49 GLN HA H 1 4.487 0.00 . 1 . . . . . 49 GLN HA . 51721 1 629 . 1 . 1 49 49 GLN HB2 H 1 1.982 0.00 . 1 . . . . . 49 GLN HB2 . 51721 1 630 . 1 . 1 49 49 GLN HB3 H 1 1.960 0.00 . 1 . . . . . 49 GLN HB3 . 51721 1 631 . 1 . 1 49 49 GLN HG2 H 1 2.231 0.00 . 1 . . . . . 49 GLN HG2 . 51721 1 632 . 1 . 1 49 49 GLN HE21 H 1 7.760 0.00 . 1 . . . . . 49 GLN HE21 . 51721 1 633 . 1 . 1 49 49 GLN HE22 H 1 6.748 0.00 . 1 . . . . . 49 GLN HE22 . 51721 1 634 . 1 . 1 49 49 GLN C C 13 178.127 0.00 . 1 . . . . . 49 GLN CO . 51721 1 635 . 1 . 1 49 49 GLN CA C 13 55.862 0.00 . 1 . . . . . 49 GLN CA . 51721 1 636 . 1 . 1 49 49 GLN CB C 13 28.998 0.00 . 1 . . . . . 49 GLN CB . 51721 1 637 . 1 . 1 49 49 GLN CG C 13 34.516 0.00 . 1 . . . . . 49 GLN CG . 51721 1 638 . 1 . 1 49 49 GLN CD C 13 182.930 0.02 . 1 . . . . . 49 GLN CD . 51721 1 639 . 1 . 1 49 49 GLN N N 15 123.254 0.03 . 1 . . . . . 49 GLN N . 51721 1 640 . 1 . 1 49 49 GLN NE2 N 15 112.084 0.00 . 1 . . . . . 49 GLN NE2 . 51721 1 641 . 1 . 1 50 50 LEU H H 1 8.582 0.00 . 1 . . . . . 50 LEU HN . 51721 1 642 . 1 . 1 50 50 LEU HA H 1 4.076 0.00 . 1 . . . . . 50 LEU HA . 51721 1 643 . 1 . 1 50 50 LEU HB2 H 1 0.997 0.00 . 1 . . . . . 50 LEU HB2 . 51721 1 644 . 1 . 1 50 50 LEU HB3 H 1 1.480 0.00 . 1 . . . . . 50 LEU HB3 . 51721 1 645 . 1 . 1 50 50 LEU HG H 1 1.468 0.00 . 1 . . . . . 50 LEU HG . 51721 1 646 . 1 . 1 50 50 LEU HD11 H 1 0.510 0.00 . 1 . . . . . 50 LEU MD1 . 51721 1 647 . 1 . 1 50 50 LEU HD12 H 1 0.510 0.00 . 1 . . . . . 50 LEU MD1 . 51721 1 648 . 1 . 1 50 50 LEU HD13 H 1 0.510 0.00 . 1 . . . . . 50 LEU MD1 . 51721 1 649 . 1 . 1 50 50 LEU HD21 H 1 0.164 0.00 . 1 . . . . . 50 LEU MD2 . 51721 1 650 . 1 . 1 50 50 LEU HD22 H 1 0.164 0.00 . 1 . . . . . 50 LEU MD2 . 51721 1 651 . 1 . 1 50 50 LEU HD23 H 1 0.164 0.00 . 1 . . . . . 50 LEU MD2 . 51721 1 652 . 1 . 1 50 50 LEU C C 13 179.184 0.00 . 1 . . . . . 50 LEU CO . 51721 1 653 . 1 . 1 50 50 LEU CA C 13 54.157 0.00 . 1 . . . . . 50 LEU CA . 51721 1 654 . 1 . 1 50 50 LEU CB C 13 41.331 0.00 . 1 . . . . . 50 LEU CB . 51721 1 655 . 1 . 1 50 50 LEU CG C 13 25.700 0.00 . 1 . . . . . 50 LEU CG . 51721 1 656 . 1 . 1 50 50 LEU CD1 C 13 25.860 0.00 . 1 . . . . . 50 LEU CD1 . 51721 1 657 . 1 . 1 50 50 LEU CD2 C 13 19.490 0.00 . 1 . . . . . 50 LEU CD2 . 51721 1 658 . 1 . 1 50 50 LEU N N 15 125.848 0.01 . 1 . . . . . 50 LEU N . 51721 1 659 . 1 . 1 51 51 GLU H H 1 8.392 0.00 . 1 . . . . . 51 GLU HN . 51721 1 660 . 1 . 1 51 51 GLU HA H 1 4.507 0.00 . 1 . . . . . 51 GLU HA . 51721 1 661 . 1 . 1 51 51 GLU HB2 H 1 2.207 0.00 . 1 . . . . . 51 GLU HB2 . 51721 1 662 . 1 . 1 51 51 GLU HB3 H 1 1.949 0.00 . 1 . . . . . 51 GLU HB3 . 51721 1 663 . 1 . 1 51 51 GLU HG2 H 1 2.417 0.00 . 1 . . . . . 51 GLU HG2 . 51721 1 664 . 1 . 1 51 51 GLU HG3 H 1 2.323 0.00 . 1 . . . . . 51 GLU HG3 . 51721 1 665 . 1 . 1 51 51 GLU C C 13 178.000 0.00 . 1 . . . . . 51 GLU CO . 51721 1 666 . 1 . 1 51 51 GLU CA C 13 55.882 0.00 . 1 . . . . . 51 GLU CA . 51721 1 667 . 1 . 1 51 51 GLU CB C 13 31.877 0.00 . 1 . . . . . 51 GLU CB . 51721 1 668 . 1 . 1 51 51 GLU CG C 13 36.421 0.00 . 1 . . . . . 51 GLU CG . 51721 1 669 . 1 . 1 51 51 GLU N N 15 123.208 0.02 . 1 . . . . . 51 GLU N . 51721 1 670 . 1 . 1 52 52 ASP H H 1 8.174 0.00 . 1 . . . . . 52 ASP HN . 51721 1 671 . 1 . 1 52 52 ASP HA H 1 4.367 0.00 . 1 . . . . . 52 ASP HA . 51721 1 672 . 1 . 1 52 52 ASP HB2 H 1 2.617 0.00 . 1 . . . . . 52 ASP HB2 . 51721 1 673 . 1 . 1 52 52 ASP HB3 H 1 2.511 0.00 . 1 . . . . . 52 ASP HB3 . 51721 1 674 . 1 . 1 52 52 ASP CA C 13 56.553 0.00 . 1 . . . . . 52 ASP CA . 51721 1 675 . 1 . 1 52 52 ASP CB C 13 40.654 0.01 . 1 . . . . . 52 ASP CB . 51721 1 676 . 1 . 1 52 52 ASP N N 15 120.515 0.01 . 1 . . . . . 52 ASP N . 51721 1 677 . 1 . 1 53 53 GLY HA2 H 1 4.030 0.00 . 1 . . . . . 53 GLY HA1 . 51721 1 678 . 1 . 1 53 53 GLY HA3 H 1 4.057 0.00 . 1 . . . . . 53 GLY HA2 . 51721 1 679 . 1 . 1 53 53 GLY C C 13 177.312 0.00 . 1 . . . . . 53 GLY CO . 51721 1 680 . 1 . 1 53 53 GLY CA C 13 45.094 0.00 . 1 . . . . . 53 GLY CA . 51721 1 681 . 1 . 1 54 54 ARG H H 1 7.471 0.00 . 1 . . . . . 54 ARG HN . 51721 1 682 . 1 . 1 54 54 ARG HA H 1 4.700 0.00 . 1 . . . . . 54 ARG HA . 51721 1 683 . 1 . 1 54 54 ARG HB2 H 1 2.023 0.00 . 1 . . . . . 54 ARG HB2 . 51721 1 684 . 1 . 1 54 54 ARG HB3 H 1 2.232 0.00 . 1 . . . . . 54 ARG HB3 . 51721 1 685 . 1 . 1 54 54 ARG HG2 H 1 1.606 0.00 . 1 . . . . . 54 ARG HG2 . 51721 1 686 . 1 . 1 54 54 ARG HG3 H 1 1.816 0.00 . 1 . . . . . 54 ARG HG3 . 51721 1 687 . 1 . 1 54 54 ARG HD2 H 1 3.070 0.00 . 1 . . . . . 54 ARG HD2 . 51721 1 688 . 1 . 1 54 54 ARG HD3 H 1 3.127 0.00 . 1 . . . . . 54 ARG HD3 . 51721 1 689 . 1 . 1 54 54 ARG C C 13 177.851 0.00 . 1 . . . . . 54 ARG CO . 51721 1 690 . 1 . 1 54 54 ARG CA C 13 54.099 0.00 . 1 . . . . . 54 ARG CA . 51721 1 691 . 1 . 1 54 54 ARG CB C 13 32.720 0.00 . 1 . . . . . 54 ARG CB . 51721 1 692 . 1 . 1 54 54 ARG CG C 13 27.334 0.00 . 1 . . . . . 54 ARG CG . 51721 1 693 . 1 . 1 54 54 ARG CD C 13 42.859 0.00 . 1 . . . . . 54 ARG CD . 51721 1 694 . 1 . 1 54 54 ARG N N 15 119.419 0.03 . 1 . . . . . 54 ARG N . 51721 1 695 . 1 . 1 55 55 THR H H 1 8.832 0.00 . 1 . . . . . 55 THR HN . 51721 1 696 . 1 . 1 55 55 THR HA H 1 5.228 0.00 . 1 . . . . . 55 THR HA . 51721 1 697 . 1 . 1 55 55 THR HB H 1 4.527 0.00 . 1 . . . . . 55 THR HB . 51721 1 698 . 1 . 1 55 55 THR HG21 H 1 1.112 0.00 . 1 . . . . . 55 THR MG . 51721 1 699 . 1 . 1 55 55 THR HG22 H 1 1.112 0.00 . 1 . . . . . 55 THR MG . 51721 1 700 . 1 . 1 55 55 THR HG23 H 1 1.112 0.00 . 1 . . . . . 55 THR MG . 51721 1 701 . 1 . 1 55 55 THR C C 13 179.031 0.00 . 1 . . . . . 55 THR CO . 51721 1 702 . 1 . 1 55 55 THR CA C 13 59.623 0.00 . 1 . . . . . 55 THR CA . 51721 1 703 . 1 . 1 55 55 THR CB C 13 72.313 0.00 . 1 . . . . . 55 THR CB . 51721 1 704 . 1 . 1 55 55 THR CG2 C 13 22.189 0.00 . 1 . . . . . 55 THR CG2 . 51721 1 705 . 1 . 1 55 55 THR N N 15 108.878 0.02 . 1 . . . . . 55 THR N . 51721 1 706 . 1 . 1 56 56 LEU H H 1 8.156 0.00 . 1 . . . . . 56 LEU HN . 51721 1 707 . 1 . 1 56 56 LEU HA H 1 4.046 0.00 . 1 . . . . . 56 LEU HA . 51721 1 708 . 1 . 1 56 56 LEU HB2 H 1 1.189 0.00 . 1 . . . . . 56 LEU HB2 . 51721 1 709 . 1 . 1 56 56 LEU HB3 H 1 2.097 0.00 . 1 . . . . . 56 LEU HB3 . 51721 1 710 . 1 . 1 56 56 LEU HG H 1 1.715 0.00 . 1 . . . . . 56 LEU HG . 51721 1 711 . 1 . 1 56 56 LEU HD11 H 1 0.741 0.00 . 1 . . . . . 56 LEU MD1 . 51721 1 712 . 1 . 1 56 56 LEU HD12 H 1 0.741 0.00 . 1 . . . . . 56 LEU MD1 . 51721 1 713 . 1 . 1 56 56 LEU HD13 H 1 0.741 0.00 . 1 . . . . . 56 LEU MD1 . 51721 1 714 . 1 . 1 56 56 LEU HD21 H 1 0.611 0.00 . 1 . . . . . 56 LEU MD2 . 51721 1 715 . 1 . 1 56 56 LEU HD22 H 1 0.611 0.00 . 1 . . . . . 56 LEU MD2 . 51721 1 716 . 1 . 1 56 56 LEU HD23 H 1 0.611 0.00 . 1 . . . . . 56 LEU MD2 . 51721 1 717 . 1 . 1 56 56 LEU C C 13 183.315 0.00 . 1 . . . . . 56 LEU CO . 51721 1 718 . 1 . 1 56 56 LEU CA C 13 58.584 0.00 . 1 . . . . . 56 LEU CA . 51721 1 719 . 1 . 1 56 56 LEU CB C 13 40.183 0.00 . 1 . . . . . 56 LEU CB . 51721 1 720 . 1 . 1 56 56 LEU CG C 13 26.593 0.00 . 1 . . . . . 56 LEU CG . 51721 1 721 . 1 . 1 56 56 LEU CD1 C 13 26.698 0.00 . 1 . . . . . 56 LEU CD1 . 51721 1 722 . 1 . 1 56 56 LEU CD2 C 13 22.987 0.00 . 1 . . . . . 56 LEU CD2 . 51721 1 723 . 1 . 1 56 56 LEU N N 15 118.121 0.00 . 1 . . . . . 56 LEU N . 51721 1 724 . 1 . 1 57 57 SER H H 1 8.490 0.00 . 1 . . . . . 57 SER HN . 51721 1 725 . 1 . 1 57 57 SER HA H 1 4.236 0.00 . 1 . . . . . 57 SER HA . 51721 1 726 . 1 . 1 57 57 SER HB2 H 1 3.741 0.00 . 1 . . . . . 57 SER HB2 . 51721 1 727 . 1 . 1 57 57 SER HB3 H 1 3.831 0.00 . 1 . . . . . 57 SER HB3 . 51721 1 728 . 1 . 1 57 57 SER C C 13 180.814 0.00 . 1 . . . . . 57 SER CO . 51721 1 729 . 1 . 1 57 57 SER CA C 13 61.043 0.00 . 1 . . . . . 57 SER CA . 51721 1 730 . 1 . 1 57 57 SER CB C 13 62.492 0.00 . 1 . . . . . 57 SER CB . 51721 1 731 . 1 . 1 57 57 SER N N 15 113.576 0.01 . 1 . . . . . 57 SER N . 51721 1 732 . 1 . 1 58 58 ASP H H 1 7.939 0.00 . 1 . . . . . 58 ASP HN . 51721 1 733 . 1 . 1 58 58 ASP HA H 1 4.269 0.00 . 1 . . . . . 58 ASP HA . 51721 1 734 . 1 . 1 58 58 ASP HB2 H 1 2.266 0.00 . 1 . . . . . 58 ASP HB2 . 51721 1 735 . 1 . 1 58 58 ASP HB3 H 1 2.989 0.00 . 1 . . . . . 58 ASP HB3 . 51721 1 736 . 1 . 1 58 58 ASP C C 13 179.953 0.00 . 1 . . . . . 58 ASP CO . 51721 1 737 . 1 . 1 58 58 ASP CA C 13 57.340 0.00 . 1 . . . . . 58 ASP CA . 51721 1 738 . 1 . 1 58 58 ASP CB C 13 40.270 0.00 . 1 . . . . . 58 ASP CB . 51721 1 739 . 1 . 1 58 58 ASP N N 15 124.605 0.02 . 1 . . . . . 58 ASP N . 51721 1 740 . 1 . 1 59 59 TYR H H 1 7.259 0.00 . 1 . . . . . 59 TYR HN . 51721 1 741 . 1 . 1 59 59 TYR HA H 1 4.635 0.00 . 1 . . . . . 59 TYR HA . 51721 1 742 . 1 . 1 59 59 TYR HB2 H 1 3.451 0.00 . 1 . . . . . 59 TYR HB2 . 51721 1 743 . 1 . 1 59 59 TYR HB3 H 1 2.521 0.00 . 1 . . . . . 59 TYR HB3 . 51721 1 744 . 1 . 1 59 59 TYR HD1 H 1 7.242 0.00 . 1 . . . . . 59 TYR HD1 . 51721 1 745 . 1 . 1 59 59 TYR HD2 H 1 7.242 0.00 . 1 . . . . . 59 TYR HD2 . 51721 1 746 . 1 . 1 59 59 TYR HE1 H 1 6.871 0.00 . 1 . . . . . 59 TYR HE1 . 51721 1 747 . 1 . 1 59 59 TYR HE2 H 1 6.871 0.00 . 1 . . . . . 59 TYR HE2 . 51721 1 748 . 1 . 1 59 59 TYR C C 13 177.203 0.00 . 1 . . . . . 59 TYR CO . 51721 1 749 . 1 . 1 59 59 TYR CA C 13 58.203 0.00 . 1 . . . . . 59 TYR CA . 51721 1 750 . 1 . 1 59 59 TYR CB C 13 39.920 0.00 . 1 . . . . . 59 TYR CB . 51721 1 751 . 1 . 1 59 59 TYR CD1 C 13 133.464 0.00 . 1 . . . . . 59 TYR CD1 . 51721 1 752 . 1 . 1 59 59 TYR CD2 C 13 133.464 0.00 . 1 . . . . . 59 TYR CD2 . 51721 1 753 . 1 . 1 59 59 TYR CE1 C 13 118.436 0.00 . 1 . . . . . 59 TYR CE1 . 51721 1 754 . 1 . 1 59 59 TYR CE2 C 13 118.422 0.00 . 1 . . . . . 59 TYR CE2 . 51721 1 755 . 1 . 1 59 59 TYR N N 15 115.853 0.02 . 1 . . . . . 59 TYR N . 51721 1 756 . 1 . 1 60 60 ASN H H 1 8.154 0.00 . 1 . . . . . 60 ASN HN . 51721 1 757 . 1 . 1 60 60 ASN HA H 1 4.336 0.00 . 1 . . . . . 60 ASN HA . 51721 1 758 . 1 . 1 60 60 ASN HB2 H 1 2.783 0.00 . 1 . . . . . 60 ASN HB2 . 51721 1 759 . 1 . 1 60 60 ASN HB3 H 1 3.296 0.00 . 1 . . . . . 60 ASN HB3 . 51721 1 760 . 1 . 1 60 60 ASN HD21 H 1 7.553 0.00 . 1 . . . . . 60 ASN HD21 . 51721 1 761 . 1 . 1 60 60 ASN HD22 H 1 6.822 0.00 . 1 . . . . . 60 ASN HD22 . 51721 1 762 . 1 . 1 60 60 ASN C C 13 176.799 0.00 . 1 . . . . . 60 ASN CO . 51721 1 763 . 1 . 1 60 60 ASN CA C 13 54.077 0.00 . 1 . . . . . 60 ASN CA . 51721 1 764 . 1 . 1 60 60 ASN CB C 13 37.299 0.00 . 1 . . . . . 60 ASN CB . 51721 1 765 . 1 . 1 60 60 ASN CG C 13 180.917 0.01 . 1 . . . . . 60 ASN CG . 51721 1 766 . 1 . 1 60 60 ASN N N 15 116.064 0.01 . 1 . . . . . 60 ASN N . 51721 1 767 . 1 . 1 60 60 ASN ND2 N 15 111.571 0.00 . 1 . . . . . 60 ASN ND2 . 51721 1 768 . 1 . 1 61 61 ILE H H 1 7.239 0.00 . 1 . . . . . 61 ILE HN . 51721 1 769 . 1 . 1 61 61 ILE HA H 1 3.356 0.00 . 1 . . . . . 61 ILE HA . 51721 1 770 . 1 . 1 61 61 ILE HB H 1 1.377 0.00 . 1 . . . . . 61 ILE HB . 51721 1 771 . 1 . 1 61 61 ILE HG12 H 1 1.079 0.00 . 1 . . . . . 61 ILE HG12 . 51721 1 772 . 1 . 1 61 61 ILE HG13 H 1 0.373 0.00 . 1 . . . . . 61 ILE HG13 . 51721 1 773 . 1 . 1 61 61 ILE HG21 H 1 0.467 0.00 . 1 . . . . . 61 ILE MG . 51721 1 774 . 1 . 1 61 61 ILE HG22 H 1 0.467 0.00 . 1 . . . . . 61 ILE MG . 51721 1 775 . 1 . 1 61 61 ILE HG23 H 1 0.467 0.00 . 1 . . . . . 61 ILE MG . 51721 1 776 . 1 . 1 61 61 ILE HD11 H 1 0.400 0.00 . 1 . . . . . 61 ILE MD . 51721 1 777 . 1 . 1 61 61 ILE HD12 H 1 0.400 0.00 . 1 . . . . . 61 ILE MD . 51721 1 778 . 1 . 1 61 61 ILE HD13 H 1 0.400 0.00 . 1 . . . . . 61 ILE MD . 51721 1 779 . 1 . 1 61 61 ILE C C 13 177.053 0.00 . 1 . . . . . 61 ILE CO . 51721 1 780 . 1 . 1 61 61 ILE CA C 13 62.393 0.00 . 1 . . . . . 61 ILE CA . 51721 1 781 . 1 . 1 61 61 ILE CB C 13 36.657 0.00 . 1 . . . . . 61 ILE CB . 51721 1 782 . 1 . 1 61 61 ILE CG1 C 13 28.168 0.00 . 1 . . . . . 61 ILE CG1 . 51721 1 783 . 1 . 1 61 61 ILE CG2 C 13 17.184 0.00 . 1 . . . . . 61 ILE CG2 . 51721 1 784 . 1 . 1 61 61 ILE CD1 C 13 14.334 0.00 . 1 . . . . . 61 ILE CD1 . 51721 1 785 . 1 . 1 61 61 ILE N N 15 118.997 0.01 . 1 . . . . . 61 ILE N . 51721 1 786 . 1 . 1 62 62 GLN H H 1 7.623 0.00 . 1 . . . . . 62 GLN HN . 51721 1 787 . 1 . 1 62 62 GLN HA H 1 4.464 0.00 . 1 . . . . . 62 GLN HA . 51721 1 788 . 1 . 1 62 62 GLN HB2 H 1 2.229 0.00 . 1 . . . . . 62 GLN HB2 . 51721 1 789 . 1 . 1 62 62 GLN HB3 H 1 1.868 0.00 . 1 . . . . . 62 GLN HB3 . 51721 1 790 . 1 . 1 62 62 GLN HG2 H 1 2.348 0.00 . 1 . . . . . 62 GLN HG2 . 51721 1 791 . 1 . 1 62 62 GLN HG3 H 1 2.292 0.00 . 1 . . . . . 62 GLN HG3 . 51721 1 792 . 1 . 1 62 62 GLN HE21 H 1 7.281 0.00 . 1 . . . . . 62 GLN HE21 . 51721 1 793 . 1 . 1 62 62 GLN HE22 H 1 6.820 0.00 . 1 . . . . . 62 GLN HE22 . 51721 1 794 . 1 . 1 62 62 GLN C C 13 178.226 0.00 . 1 . . . . . 62 GLN CO . 51721 1 795 . 1 . 1 62 62 GLN CA C 13 53.515 0.00 . 1 . . . . . 62 GLN CA . 51721 1 796 . 1 . 1 62 62 GLN CB C 13 31.577 0.00 . 1 . . . . . 62 GLN CB . 51721 1 797 . 1 . 1 62 62 GLN CG C 13 33.326 0.00 . 1 . . . . . 62 GLN CG . 51721 1 798 . 1 . 1 62 62 GLN CD C 13 183.180 0.01 . 1 . . . . . 62 GLN CD . 51721 1 799 . 1 . 1 62 62 GLN N N 15 125.027 0.02 . 1 . . . . . 62 GLN N . 51721 1 800 . 1 . 1 62 62 GLN NE2 N 15 112.484 0.00 . 1 . . . . . 62 GLN NE2 . 51721 1 801 . 1 . 1 63 63 LYS H H 1 8.478 0.00 . 1 . . . . . 63 LYS HN . 51721 1 802 . 1 . 1 63 63 LYS HA H 1 3.960 0.00 . 1 . . . . . 63 LYS HA . 51721 1 803 . 1 . 1 63 63 LYS HB2 H 1 1.868 0.00 . 1 . . . . . 63 LYS HB2 . 51721 1 804 . 1 . 1 63 63 LYS HB3 H 1 2.026 0.00 . 1 . . . . . 63 LYS HB3 . 51721 1 805 . 1 . 1 63 63 LYS HG2 H 1 1.464 0.00 . 1 . . . . . 63 LYS HG2 . 51721 1 806 . 1 . 1 63 63 LYS HD2 H 1 1.714 0.00 . 1 . . . . . 63 LYS HD2 . 51721 1 807 . 1 . 1 63 63 LYS HE2 H 1 3.011 0.00 . 1 . . . . . 63 LYS HE2 . 51721 1 808 . 1 . 1 63 63 LYS C C 13 178.270 0.00 . 1 . . . . . 63 LYS CO . 51721 1 809 . 1 . 1 63 63 LYS CA C 13 57.753 0.00 . 1 . . . . . 63 LYS CA . 51721 1 810 . 1 . 1 63 63 LYS CB C 13 32.505 0.00 . 1 . . . . . 63 LYS CB . 51721 1 811 . 1 . 1 63 63 LYS CG C 13 23.846 0.00 . 1 . . . . . 63 LYS CG . 51721 1 812 . 1 . 1 63 63 LYS CD C 13 29.756 0.00 . 1 . . . . . 63 LYS CD . 51721 1 813 . 1 . 1 63 63 LYS CE C 13 41.993 0.00 . 1 . . . . . 63 LYS CE . 51721 1 814 . 1 . 1 63 63 LYS N N 15 120.628 0.03 . 1 . . . . . 63 LYS N . 51721 1 815 . 1 . 1 64 64 GLU H H 1 9.344 0.00 . 1 . . . . . 64 GLU HN . 51721 1 816 . 1 . 1 64 64 GLU HA H 1 3.174 0.00 . 1 . . . . . 64 GLU HA . 51721 1 817 . 1 . 1 64 64 GLU HB2 H 1 2.487 0.00 . 1 . . . . . 64 GLU HB2 . 51721 1 818 . 1 . 1 64 64 GLU HB3 H 1 2.360 0.00 . 1 . . . . . 64 GLU HB3 . 51721 1 819 . 1 . 1 64 64 GLU HG2 H 1 2.206 0.00 . 1 . . . . . 64 GLU HG2 . 51721 1 820 . 1 . 1 64 64 GLU HG3 H 1 2.168 0.00 . 1 . . . . . 64 GLU HG3 . 51721 1 821 . 1 . 1 64 64 GLU C C 13 177.683 0.00 . 1 . . . . . 64 GLU CO . 51721 1 822 . 1 . 1 64 64 GLU CA C 13 58.305 0.00 . 1 . . . . . 64 GLU CA . 51721 1 823 . 1 . 1 64 64 GLU CB C 13 25.886 0.00 . 1 . . . . . 64 GLU CB . 51721 1 824 . 1 . 1 64 64 GLU CG C 13 37.322 0.00 . 1 . . . . . 64 GLU CG . 51721 1 825 . 1 . 1 64 64 GLU N N 15 114.844 0.02 . 1 . . . . . 64 GLU N . 51721 1 826 . 1 . 1 65 65 SER H H 1 7.641 0.00 . 1 . . . . . 65 SER HN . 51721 1 827 . 1 . 1 65 65 SER HA H 1 4.604 0.00 . 1 . . . . . 65 SER HA . 51721 1 828 . 1 . 1 65 65 SER HB2 H 1 3.887 0.00 . 1 . . . . . 65 SER HB2 . 51721 1 829 . 1 . 1 65 65 SER HB3 H 1 3.615 0.00 . 1 . . . . . 65 SER HB3 . 51721 1 830 . 1 . 1 65 65 SER C C 13 174.478 0.00 . 1 . . . . . 65 SER CO . 51721 1 831 . 1 . 1 65 65 SER CA C 13 60.808 0.00 . 1 . . . . . 65 SER CA . 51721 1 832 . 1 . 1 65 65 SER CB C 13 64.874 0.00 . 1 . . . . . 65 SER CB . 51721 1 833 . 1 . 1 65 65 SER N N 15 114.955 0.01 . 1 . . . . . 65 SER N . 51721 1 834 . 1 . 1 66 66 THR H H 1 8.697 0.00 . 1 . . . . . 66 THR HN . 51721 1 835 . 1 . 1 66 66 THR HA H 1 5.231 0.00 . 1 . . . . . 66 THR HA . 51721 1 836 . 1 . 1 66 66 THR HB H 1 4.053 0.00 . 1 . . . . . 66 THR HB . 51721 1 837 . 1 . 1 66 66 THR HG21 H 1 0.922 0.00 . 1 . . . . . 66 THR MG . 51721 1 838 . 1 . 1 66 66 THR HG22 H 1 0.922 0.00 . 1 . . . . . 66 THR MG . 51721 1 839 . 1 . 1 66 66 THR HG23 H 1 0.922 0.00 . 1 . . . . . 66 THR MG . 51721 1 840 . 1 . 1 66 66 THR C C 13 176.261 0.00 . 1 . . . . . 66 THR CO . 51721 1 841 . 1 . 1 66 66 THR CA C 13 62.402 0.00 . 1 . . . . . 66 THR CA . 51721 1 842 . 1 . 1 66 66 THR CB C 13 70.205 0.00 . 1 . . . . . 66 THR CB . 51721 1 843 . 1 . 1 66 66 THR CG2 C 13 21.488 0.00 . 1 . . . . . 66 THR CG2 . 51721 1 844 . 1 . 1 66 66 THR N N 15 117.437 0.00 . 1 . . . . . 66 THR N . 51721 1 845 . 1 . 1 67 67 LEU H H 1 9.453 0.00 . 1 . . . . . 67 LEU HN . 51721 1 846 . 1 . 1 67 67 LEU HA H 1 5.050 0.00 . 1 . . . . . 67 LEU HA . 51721 1 847 . 1 . 1 67 67 LEU HB2 H 1 1.646 0.00 . 1 . . . . . 67 LEU HB2 . 51721 1 848 . 1 . 1 67 67 LEU HB3 H 1 1.607 0.02 . 1 . . . . . 67 LEU HB3 . 51721 1 849 . 1 . 1 67 67 LEU HG H 1 1.752 0.00 . 1 . . . . . 67 LEU HG . 51721 1 850 . 1 . 1 67 67 LEU HD11 H 1 0.682 0.00 . 1 . . . . . 67 LEU MD1 . 51721 1 851 . 1 . 1 67 67 LEU HD12 H 1 0.682 0.00 . 1 . . . . . 67 LEU MD1 . 51721 1 852 . 1 . 1 67 67 LEU HD13 H 1 0.682 0.00 . 1 . . . . . 67 LEU MD1 . 51721 1 853 . 1 . 1 67 67 LEU HD21 H 1 0.653 0.00 . 1 . . . . . 67 LEU MD2 . 51721 1 854 . 1 . 1 67 67 LEU HD22 H 1 0.653 0.00 . 1 . . . . . 67 LEU MD2 . 51721 1 855 . 1 . 1 67 67 LEU HD23 H 1 0.653 0.00 . 1 . . . . . 67 LEU MD2 . 51721 1 856 . 1 . 1 67 67 LEU C C 13 177.700 0.00 . 1 . . . . . 67 LEU CO . 51721 1 857 . 1 . 1 67 67 LEU CA C 13 53.718 0.00 . 1 . . . . . 67 LEU CA . 51721 1 858 . 1 . 1 67 67 LEU CB C 13 39.252 6.99 . 1 . . . . . 67 LEU CB . 51721 1 859 . 1 . 1 67 67 LEU CG C 13 29.357 0.00 . 1 . . . . . 67 LEU CG . 51721 1 860 . 1 . 1 67 67 LEU CD1 C 13 24.791 0.00 . 1 . . . . . 67 LEU CD1 . 51721 1 861 . 1 . 1 67 67 LEU CD2 C 13 25.096 0.00 . 1 . . . . . 67 LEU CD2 . 51721 1 862 . 1 . 1 67 67 LEU N N 15 127.990 0.03 . 1 . . . . . 67 LEU N . 51721 1 863 . 1 . 1 68 68 HIS H H 1 9.230 0.00 . 1 . . . . . 68 HIS HN . 51721 1 864 . 1 . 1 68 68 HIS HA H 1 5.147 0.00 . 1 . . . . . 68 HIS HA . 51721 1 865 . 1 . 1 68 68 HIS HB2 H 1 3.037 0.00 . 1 . . . . . 68 HIS HB2 . 51721 1 866 . 1 . 1 68 68 HIS HB3 H 1 2.861 0.00 . 1 . . . . . 68 HIS HB3 . 51721 1 867 . 1 . 1 68 68 HIS HE1 H 1 6.904 0.00 . 1 . . . . . 68 HIS HE1 . 51721 1 868 . 1 . 1 68 68 HIS C C 13 176.529 0.00 . 1 . . . . . 68 HIS CO . 51721 1 869 . 1 . 1 68 68 HIS CA C 13 56.107 0.00 . 1 . . . . . 68 HIS CA . 51721 1 870 . 1 . 1 68 68 HIS CB C 13 32.362 0.00 . 1 . . . . . 68 HIS CB . 51721 1 871 . 1 . 1 68 68 HIS CE1 C 13 119.220 0.00 . 1 . . . . . 68 HIS CE1 . 51721 1 872 . 1 . 1 68 68 HIS N N 15 119.868 0.02 . 1 . . . . . 68 HIS N . 51721 1 873 . 1 . 1 69 69 LEU H H 1 8.276 0.00 . 1 . . . . . 69 LEU HN . 51721 1 874 . 1 . 1 69 69 LEU HA H 1 5.160 0.00 . 1 . . . . . 69 LEU HA . 51721 1 875 . 1 . 1 69 69 LEU HB2 H 1 1.565 0.00 . 1 . . . . . 69 LEU HB2 . 51721 1 876 . 1 . 1 69 69 LEU HB3 H 1 1.083 0.00 . 1 . . . . . 69 LEU HB3 . 51721 1 877 . 1 . 1 69 69 LEU HG H 1 1.310 0.00 . 1 . . . . . 69 LEU HG . 51721 1 878 . 1 . 1 69 69 LEU HD11 H 1 0.852 0.00 . 1 . . . . . 69 LEU MD1 . 51721 1 879 . 1 . 1 69 69 LEU HD12 H 1 0.852 0.00 . 1 . . . . . 69 LEU MD1 . 51721 1 880 . 1 . 1 69 69 LEU HD13 H 1 0.852 0.00 . 1 . . . . . 69 LEU MD1 . 51721 1 881 . 1 . 1 69 69 LEU HD21 H 1 0.724 0.00 . 1 . . . . . 69 LEU MD2 . 51721 1 882 . 1 . 1 69 69 LEU HD22 H 1 0.724 0.00 . 1 . . . . . 69 LEU MD2 . 51721 1 883 . 1 . 1 69 69 LEU HD23 H 1 0.724 0.00 . 1 . . . . . 69 LEU MD2 . 51721 1 884 . 1 . 1 69 69 LEU C C 13 177.882 0.00 . 1 . . . . . 69 LEU CO . 51721 1 885 . 1 . 1 69 69 LEU CA C 13 53.630 0.00 . 1 . . . . . 69 LEU CA . 51721 1 886 . 1 . 1 69 69 LEU CB C 13 44.162 0.00 . 1 . . . . . 69 LEU CB . 51721 1 887 . 1 . 1 69 69 LEU CG C 13 27.518 0.00 . 1 . . . . . 69 LEU CG . 51721 1 888 . 1 . 1 69 69 LEU CD1 C 13 23.831 0.00 . 1 . . . . . 69 LEU CD1 . 51721 1 889 . 1 . 1 69 69 LEU CD2 C 13 26.022 0.00 . 1 . . . . . 69 LEU CD2 . 51721 1 890 . 1 . 1 69 69 LEU N N 15 123.921 0.01 . 1 . . . . . 69 LEU N . 51721 1 891 . 1 . 1 70 70 VAL H H 1 9.198 0.00 . 1 . . . . . 70 VAL HN . 51721 1 892 . 1 . 1 70 70 VAL HA H 1 4.334 0.00 . 1 . . . . . 70 VAL HA . 51721 1 893 . 1 . 1 70 70 VAL HB H 1 2.007 0.00 . 1 . . . . . 70 VAL HB . 51721 1 894 . 1 . 1 70 70 VAL HG11 H 1 0.924 0.00 . 1 . . . . . 70 VAL MG1 . 51721 1 895 . 1 . 1 70 70 VAL HG12 H 1 0.924 0.00 . 1 . . . . . 70 VAL MG1 . 51721 1 896 . 1 . 1 70 70 VAL HG13 H 1 0.924 0.00 . 1 . . . . . 70 VAL MG1 . 51721 1 897 . 1 . 1 70 70 VAL HG21 H 1 0.833 0.00 . 1 . . . . . 70 VAL MG2 . 51721 1 898 . 1 . 1 70 70 VAL HG22 H 1 0.833 0.00 . 1 . . . . . 70 VAL MG2 . 51721 1 899 . 1 . 1 70 70 VAL HG23 H 1 0.833 0.00 . 1 . . . . . 70 VAL MG2 . 51721 1 900 . 1 . 1 70 70 VAL C C 13 176.580 0.00 . 1 . . . . . 70 VAL CO . 51721 1 901 . 1 . 1 70 70 VAL CA C 13 60.627 0.00 . 1 . . . . . 70 VAL CA . 51721 1 902 . 1 . 1 70 70 VAL CB C 13 34.694 0.00 . 1 . . . . . 70 VAL CB . 51721 1 903 . 1 . 1 70 70 VAL CG1 C 13 21.281 0.00 . 1 . . . . . 70 VAL CG1 . 51721 1 904 . 1 . 1 70 70 VAL CG2 C 13 20.614 0.00 . 1 . . . . . 70 VAL CG2 . 51721 1 905 . 1 . 1 70 70 VAL N N 15 127.252 0.03 . 1 . . . . . 70 VAL N . 51721 1 906 . 1 . 1 71 71 LEU H H 1 8.117 0.00 . 1 . . . . . 71 LEU HN . 51721 1 907 . 1 . 1 71 71 LEU HA H 1 5.018 0.00 . 1 . . . . . 71 LEU HA . 51721 1 908 . 1 . 1 71 71 LEU HB2 H 1 1.522 0.00 . 1 . . . . . 71 LEU HB2 . 51721 1 909 . 1 . 1 71 71 LEU HB3 H 1 1.672 0.00 . 1 . . . . . 71 LEU HB3 . 51721 1 910 . 1 . 1 71 71 LEU HG H 1 1.656 0.00 . 1 . . . . . 71 LEU HG . 51721 1 911 . 1 . 1 71 71 LEU HD11 H 1 0.960 0.00 . 1 . . . . . 71 LEU MD1 . 51721 1 912 . 1 . 1 71 71 LEU HD12 H 1 0.960 0.00 . 1 . . . . . 71 LEU MD1 . 51721 1 913 . 1 . 1 71 71 LEU HD13 H 1 0.960 0.00 . 1 . . . . . 71 LEU MD1 . 51721 1 914 . 1 . 1 71 71 LEU HD21 H 1 0.852 0.00 . 1 . . . . . 71 LEU MD2 . 51721 1 915 . 1 . 1 71 71 LEU HD22 H 1 0.852 0.00 . 1 . . . . . 71 LEU MD2 . 51721 1 916 . 1 . 1 71 71 LEU HD23 H 1 0.852 0.00 . 1 . . . . . 71 LEU MD2 . 51721 1 917 . 1 . 1 71 71 LEU C C 13 180.366 0.00 . 1 . . . . . 71 LEU CO . 51721 1 918 . 1 . 1 71 71 LEU CA C 13 53.882 0.00 . 1 . . . . . 71 LEU CA . 51721 1 919 . 1 . 1 71 71 LEU CB C 13 42.681 0.00 . 1 . . . . . 71 LEU CB . 51721 1 920 . 1 . 1 71 71 LEU CG C 13 27.480 0.00 . 1 . . . . . 71 LEU CG . 51721 1 921 . 1 . 1 71 71 LEU CD1 C 13 24.950 0.00 . 1 . . . . . 71 LEU CD1 . 51721 1 922 . 1 . 1 71 71 LEU CD2 C 13 23.831 0.00 . 1 . . . . . 71 LEU CD2 . 51721 1 923 . 1 . 1 71 71 LEU N N 15 123.366 0.04 . 1 . . . . . 71 LEU N . 51721 1 924 . 1 . 1 72 72 ARG H H 1 8.621 0.00 . 1 . . . . . 72 ARG HN . 51721 1 925 . 1 . 1 72 72 ARG HA H 1 4.260 0.00 . 1 . . . . . 72 ARG HA . 51721 1 926 . 1 . 1 72 72 ARG HB2 H 1 1.526 0.00 . 1 . . . . . 72 ARG HB2 . 51721 1 927 . 1 . 1 72 72 ARG HB3 H 1 1.753 0.00 . 1 . . . . . 72 ARG HB3 . 51721 1 928 . 1 . 1 72 72 ARG HG2 H 1 1.524 0.00 . 1 . . . . . 72 ARG HG2 . 51721 1 929 . 1 . 1 72 72 ARG HD2 H 1 3.131 0.00 . 1 . . . . . 72 ARG HD2 . 51721 1 930 . 1 . 1 72 72 ARG C C 13 177.847 0.00 . 1 . . . . . 72 ARG CO . 51721 1 931 . 1 . 1 72 72 ARG CA C 13 55.560 0.00 . 1 . . . . . 72 ARG CA . 51721 1 932 . 1 . 1 72 72 ARG CB C 13 31.231 0.00 . 1 . . . . . 72 ARG CB . 51721 1 933 . 1 . 1 72 72 ARG CG C 13 27.133 0.00 . 1 . . . . . 72 ARG CG . 51721 1 934 . 1 . 1 72 72 ARG CD C 13 43.378 0.00 . 1 . . . . . 72 ARG CD . 51721 1 935 . 1 . 1 72 72 ARG N N 15 123.914 0.01 . 1 . . . . . 72 ARG N . 51721 1 936 . 1 . 1 73 73 LEU H H 1 8.365 0.00 . 1 . . . . . 73 LEU HN . 51721 1 937 . 1 . 1 73 73 LEU HA H 1 4.384 0.00 . 1 . . . . . 73 LEU HA . 51721 1 938 . 1 . 1 73 73 LEU HB2 H 1 1.552 0.00 . 1 . . . . . 73 LEU HB2 . 51721 1 939 . 1 . 1 73 73 LEU HB3 H 1 1.637 0.00 . 1 . . . . . 73 LEU HB3 . 51721 1 940 . 1 . 1 73 73 LEU HG H 1 1.615 0.00 . 1 . . . . . 73 LEU HG . 51721 1 941 . 1 . 1 73 73 LEU HD11 H 1 0.917 0.00 . 1 . . . . . 73 LEU MD1 . 51721 1 942 . 1 . 1 73 73 LEU HD12 H 1 0.917 0.00 . 1 . . . . . 73 LEU MD1 . 51721 1 943 . 1 . 1 73 73 LEU HD13 H 1 0.917 0.00 . 1 . . . . . 73 LEU MD1 . 51721 1 944 . 1 . 1 73 73 LEU HD21 H 1 0.865 0.00 . 1 . . . . . 73 LEU MD2 . 51721 1 945 . 1 . 1 73 73 LEU HD22 H 1 0.865 0.00 . 1 . . . . . 73 LEU MD2 . 51721 1 946 . 1 . 1 73 73 LEU HD23 H 1 0.865 0.00 . 1 . . . . . 73 LEU MD2 . 51721 1 947 . 1 . 1 73 73 LEU C C 13 179.953 0.00 . 1 . . . . . 73 LEU CO . 51721 1 948 . 1 . 1 73 73 LEU CA C 13 54.752 0.00 . 1 . . . . . 73 LEU CA . 51721 1 949 . 1 . 1 73 73 LEU CB C 13 42.375 0.00 . 1 . . . . . 73 LEU CB . 51721 1 950 . 1 . 1 73 73 LEU CG C 13 27.007 0.00 . 1 . . . . . 73 LEU CG . 51721 1 951 . 1 . 1 73 73 LEU CD1 C 13 24.888 0.00 . 1 . . . . . 73 LEU CD1 . 51721 1 952 . 1 . 1 73 73 LEU CD2 C 13 23.244 0.00 . 1 . . . . . 73 LEU CD2 . 51721 1 953 . 1 . 1 73 73 LEU N N 15 124.554 0.02 . 1 . . . . . 73 LEU N . 51721 1 954 . 1 . 1 74 74 ARG H H 1 8.448 0.00 . 1 . . . . . 74 ARG HN . 51721 1 955 . 1 . 1 74 74 ARG HA H 1 4.286 0.00 . 1 . . . . . 74 ARG HA . 51721 1 956 . 1 . 1 74 74 ARG HB2 H 1 1.785 0.00 . 1 . . . . . 74 ARG HB2 . 51721 1 957 . 1 . 1 74 74 ARG HB3 H 1 1.856 0.00 . 1 . . . . . 74 ARG HB3 . 51721 1 958 . 1 . 1 74 74 ARG HG2 H 1 1.591 0.00 . 1 . . . . . 74 ARG HG2 . 51721 1 959 . 1 . 1 74 74 ARG HG3 H 1 1.669 0.00 . 1 . . . . . 74 ARG HG3 . 51721 1 960 . 1 . 1 74 74 ARG HD2 H 1 3.197 0.00 . 1 . . . . . 74 ARG HD2 . 51721 1 961 . 1 . 1 74 74 ARG CA C 13 56.450 0.00 . 1 . . . . . 74 ARG CA . 51721 1 962 . 1 . 1 74 74 ARG CB C 13 30.571 0.00 . 1 . . . . . 74 ARG CB . 51721 1 963 . 1 . 1 74 74 ARG CG C 13 26.989 0.00 . 1 . . . . . 74 ARG CG . 51721 1 964 . 1 . 1 74 74 ARG CD C 13 43.255 0.00 . 1 . . . . . 74 ARG CD . 51721 1 965 . 1 . 1 74 74 ARG N N 15 122.112 0.02 . 1 . . . . . 74 ARG N . 51721 1 966 . 1 . 1 75 75 GLY H H 1 8.501 0.00 . 1 . . . . . 75 GLY HN . 51721 1 967 . 1 . 1 75 75 GLY HA2 H 1 3.969 0.00 . 1 . . . . . 75 GLY HA2 . 51721 1 968 . 1 . 1 75 75 GLY HA3 H 1 3.937 0.00 . 1 . . . . . 75 GLY HA3 . 51721 1 969 . 1 . 1 75 75 GLY C C 13 176.172 0.00 . 1 . . . . . 75 GLY CO . 51721 1 970 . 1 . 1 75 75 GLY CA C 13 45.157 0.00 . 1 . . . . . 75 GLY CA . 51721 1 971 . 1 . 1 75 75 GLY N N 15 111.169 0.01 . 1 . . . . . 75 GLY N . 51721 1 972 . 1 . 1 76 76 GLY H H 1 7.952 0.00 . 1 . . . . . 76 GLY HN . 51721 1 973 . 1 . 1 76 76 GLY HA2 H 1 3.724 0.00 . 1 . . . . . 76 GLY HA2 . 51721 1 974 . 1 . 1 76 76 GLY HA3 H 1 3.809 0.00 . 1 . . . . . 76 GLY HA3 . 51721 1 975 . 1 . 1 76 76 GLY CA C 13 45.965 0.00 . 1 . . . . . 76 GLY CA . 51721 1 976 . 1 . 1 76 76 GLY N N 15 115.185 0.01 . 1 . . . . . 76 GLY N . 51721 1 stop_ save_