data_27573 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27573 _Entry.Title ; Backbone and side chain chemical shifts assignments of uniformly labeled 13C, 15N SUMO1-F64L ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-08 _Entry.Accession_date 2018-08-08 _Entry.Last_release_date 2018-08-08 _Entry.Original_release_date 2018-08-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Ranabir Das . . . . 27573 2 'Kiran Sankar' Chatterjee . . . . 27573 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Centre for Biological Sciences' . 27573 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27573 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 197 27573 '15N chemical shifts' 86 27573 '1H chemical shifts' 472 27573 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 . . 2019-05-30 2018-08-08 update BMRB 'update entry citation' 27573 1 . . 2019-03-01 2018-08-08 original author 'original release' 27573 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27573 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA118.006642 _Citation.PubMed_ID 30824543 _Citation.Full_citation . _Citation.Title ; A conserved and buried edge-to-face aromatic interaction in small ubiquitin-like modifier (SUMO) has a role in SUMO stability and function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 294 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 6772 _Citation.Page_last 6784 _Citation.Year 2019 _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 'Kiran Sankar' Chatterjee K. S. . . 27573 1 2 Vasvi Tripathi V. . . . 27573 1 3 Ranabir Das R. . . . 27573 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27573 _Assembly.ID 1 _Assembly.Name 'SUMO1 F64L' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SUMO1 F64L' 1 $SUMO1_F64L A . yes native no no . . . 27573 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SUMO1_F64L _Entity.Sf_category entity _Entity.Sf_framecode SUMO1_F64L _Entity.Entry_ID 27573 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SUMO1_F64L _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 ; MRGSHHHHHHGSMSDQEAKP STEDLGDKKEGEYIKLKVIG QDSSEIHFKVKMTTHLKKLK ESYCQRQGVPMNSLRLLFEG QRIADNHTPKELGMEEEDVI EVYQEQTGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'numbering starts from 13th residue' _Entity.Polymer_author_seq_details 'residue 1 to 12 is His affinity tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12497 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 'Wt SUMO1 is a Ubiquitin like post translational modifier.' 27573 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 -11 MET . 27573 1 2 -10 ARG . 27573 1 3 -9 GLY . 27573 1 4 -8 SER . 27573 1 5 -7 HIS . 27573 1 6 -6 HIS . 27573 1 7 -5 HIS . 27573 1 8 -4 HIS . 27573 1 9 -3 HIS . 27573 1 10 -2 HIS . 27573 1 11 -1 GLY . 27573 1 12 0 SER . 27573 1 13 1 MET . 27573 1 14 2 SER . 27573 1 15 3 ASP . 27573 1 16 4 GLN . 27573 1 17 5 GLU . 27573 1 18 6 ALA . 27573 1 19 7 LYS . 27573 1 20 8 PRO . 27573 1 21 9 SER . 27573 1 22 10 THR . 27573 1 23 11 GLU . 27573 1 24 12 ASP . 27573 1 25 13 LEU . 27573 1 26 14 GLY . 27573 1 27 15 ASP . 27573 1 28 16 LYS . 27573 1 29 17 LYS . 27573 1 30 18 GLU . 27573 1 31 19 GLY . 27573 1 32 20 GLU . 27573 1 33 21 TYR . 27573 1 34 22 ILE . 27573 1 35 23 LYS . 27573 1 36 24 LEU . 27573 1 37 25 LYS . 27573 1 38 26 VAL . 27573 1 39 27 ILE . 27573 1 40 28 GLY . 27573 1 41 29 GLN . 27573 1 42 30 ASP . 27573 1 43 31 SER . 27573 1 44 32 SER . 27573 1 45 33 GLU . 27573 1 46 34 ILE . 27573 1 47 35 HIS . 27573 1 48 36 PHE . 27573 1 49 37 LYS . 27573 1 50 38 VAL . 27573 1 51 39 LYS . 27573 1 52 40 MET . 27573 1 53 41 THR . 27573 1 54 42 THR . 27573 1 55 43 HIS . 27573 1 56 44 LEU . 27573 1 57 45 LYS . 27573 1 58 46 LYS . 27573 1 59 47 LEU . 27573 1 60 48 LYS . 27573 1 61 49 GLU . 27573 1 62 50 SER . 27573 1 63 51 TYR . 27573 1 64 52 CYS . 27573 1 65 53 GLN . 27573 1 66 54 ARG . 27573 1 67 55 GLN . 27573 1 68 56 GLY . 27573 1 69 57 VAL . 27573 1 70 58 PRO . 27573 1 71 59 MET . 27573 1 72 60 ASN . 27573 1 73 61 SER . 27573 1 74 62 LEU . 27573 1 75 63 ARG . 27573 1 76 64 LEU . 27573 1 77 65 LEU . 27573 1 78 66 PHE . 27573 1 79 67 GLU . 27573 1 80 68 GLY . 27573 1 81 69 GLN . 27573 1 82 70 ARG . 27573 1 83 71 ILE . 27573 1 84 72 ALA . 27573 1 85 73 ASP . 27573 1 86 74 ASN . 27573 1 87 75 HIS . 27573 1 88 76 THR . 27573 1 89 77 PRO . 27573 1 90 78 LYS . 27573 1 91 79 GLU . 27573 1 92 80 LEU . 27573 1 93 81 GLY . 27573 1 94 82 MET . 27573 1 95 83 GLU . 27573 1 96 84 GLU . 27573 1 97 85 GLU . 27573 1 98 86 ASP . 27573 1 99 87 VAL . 27573 1 100 88 ILE . 27573 1 101 89 GLU . 27573 1 102 90 VAL . 27573 1 103 91 TYR . 27573 1 104 92 GLN . 27573 1 105 93 GLU . 27573 1 106 94 GLN . 27573 1 107 95 THR . 27573 1 108 96 GLY . 27573 1 109 97 GLY . 27573 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 27573 1 . ARG 2 2 27573 1 . GLY 3 3 27573 1 . SER 4 4 27573 1 . HIS 5 5 27573 1 . HIS 6 6 27573 1 . HIS 7 7 27573 1 . HIS 8 8 27573 1 . HIS 9 9 27573 1 . HIS 10 10 27573 1 . GLY 11 11 27573 1 . SER 12 12 27573 1 . MET 13 13 27573 1 . SER 14 14 27573 1 . ASP 15 15 27573 1 . GLN 16 16 27573 1 . GLU 17 17 27573 1 . ALA 18 18 27573 1 . LYS 19 19 27573 1 . PRO 20 20 27573 1 . SER 21 21 27573 1 . THR 22 22 27573 1 . GLU 23 23 27573 1 . ASP 24 24 27573 1 . LEU 25 25 27573 1 . GLY 26 26 27573 1 . ASP 27 27 27573 1 . LYS 28 28 27573 1 . LYS 29 29 27573 1 . GLU 30 30 27573 1 . GLY 31 31 27573 1 . GLU 32 32 27573 1 . TYR 33 33 27573 1 . ILE 34 34 27573 1 . LYS 35 35 27573 1 . LEU 36 36 27573 1 . LYS 37 37 27573 1 . VAL 38 38 27573 1 . ILE 39 39 27573 1 . GLY 40 40 27573 1 . GLN 41 41 27573 1 . ASP 42 42 27573 1 . SER 43 43 27573 1 . SER 44 44 27573 1 . GLU 45 45 27573 1 . ILE 46 46 27573 1 . HIS 47 47 27573 1 . PHE 48 48 27573 1 . LYS 49 49 27573 1 . VAL 50 50 27573 1 . LYS 51 51 27573 1 . MET 52 52 27573 1 . THR 53 53 27573 1 . THR 54 54 27573 1 . HIS 55 55 27573 1 . LEU 56 56 27573 1 . LYS 57 57 27573 1 . LYS 58 58 27573 1 . LEU 59 59 27573 1 . LYS 60 60 27573 1 . GLU 61 61 27573 1 . SER 62 62 27573 1 . TYR 63 63 27573 1 . CYS 64 64 27573 1 . GLN 65 65 27573 1 . ARG 66 66 27573 1 . GLN 67 67 27573 1 . GLY 68 68 27573 1 . VAL 69 69 27573 1 . PRO 70 70 27573 1 . MET 71 71 27573 1 . ASN 72 72 27573 1 . SER 73 73 27573 1 . LEU 74 74 27573 1 . ARG 75 75 27573 1 . LEU 76 76 27573 1 . LEU 77 77 27573 1 . PHE 78 78 27573 1 . GLU 79 79 27573 1 . GLY 80 80 27573 1 . GLN 81 81 27573 1 . ARG 82 82 27573 1 . ILE 83 83 27573 1 . ALA 84 84 27573 1 . ASP 85 85 27573 1 . ASN 86 86 27573 1 . HIS 87 87 27573 1 . THR 88 88 27573 1 . PRO 89 89 27573 1 . LYS 90 90 27573 1 . GLU 91 91 27573 1 . LEU 92 92 27573 1 . GLY 93 93 27573 1 . MET 94 94 27573 1 . GLU 95 95 27573 1 . GLU 96 96 27573 1 . GLU 97 97 27573 1 . ASP 98 98 27573 1 . VAL 99 99 27573 1 . ILE 100 100 27573 1 . GLU 101 101 27573 1 . VAL 102 102 27573 1 . TYR 103 103 27573 1 . GLN 104 104 27573 1 . GLU 105 105 27573 1 . GLN 106 106 27573 1 . THR 107 107 27573 1 . GLY 108 108 27573 1 . GLY 109 109 27573 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27573 _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 $SUMO1_F64L . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27573 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27573 _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 $SUMO1_F64L . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE-80L . . . 27573 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27573 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SUMO1 F64L' '[U-100% 13C; U-100% 15N]' . . 1 $SUMO1_F64L . . 225 200 250 uM . . . . 27573 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27573 1 3 'Phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 27573 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27573 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 27573 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25mM Phosphate buffer, 50mM NaCl' 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' 0.1 . M 27573 1 pH 6.8 . pH 27573 1 pressure 1 . atm 27573 1 temperature 298 . K 27573 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27573 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27573 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27573 1 Goddard . . 27573 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27573 1 processing 27573 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27573 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27573 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27573 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27573 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27573 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27573 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27573 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27573 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27573 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27573 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27573 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . 27573 1 H 1 water protons . . . . ppm 4.7 internal direct 1.000000000 . . . . . 27573 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 27573 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27573 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 27573 1 2 '3D HNCA' . . . 27573 1 3 '3D HN(CO)CA' . . . 27573 1 4 '3D HNCACB' . . . 27573 1 5 '3D CBCA(CO)NH' . . . 27573 1 6 '3D H(CCO)NH' . . . 27573 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 16 16 GLN H H 1 8.214 0.050 . 1 . . . . . 4 GLN H . 27573 1 2 . 1 1 16 16 GLN HA H 1 4.071 0.050 . 1 . . . . . 4 GLN HA . 27573 1 3 . 1 1 16 16 GLN HB2 H 1 1.653 0.050 . 1 . . . . . 4 GLN HB . 27573 1 4 . 1 1 16 16 GLN HB3 H 1 1.653 0.050 . 1 . . . . . 4 GLN HB . 27573 1 5 . 1 1 16 16 GLN HG2 H 1 2.247 0.050 . 1 . . . . . 4 GLN HG . 27573 1 6 . 1 1 16 16 GLN HG3 H 1 2.247 0.050 . 1 . . . . . 4 GLN HG . 27573 1 7 . 1 1 16 16 GLN CA C 13 53.389 0.500 . 1 . . . . . 4 GLN CA . 27573 1 8 . 1 1 16 16 GLN CB C 13 26.781 0.500 . 1 . . . . . 4 GLN CB . 27573 1 9 . 1 1 16 16 GLN CG C 13 31.087 0.500 . 1 . . . . . 4 GLN CG . 27573 1 10 . 1 1 16 16 GLN N N 15 119.664 0.500 . 1 . . . . . 4 GLN N . 27573 1 11 . 1 1 17 17 GLU H H 1 8.245 0.050 . 1 . . . . . 5 GLU H . 27573 1 12 . 1 1 17 17 GLU HA H 1 4.127 0.050 . 1 . . . . . 5 GLU HA . 27573 1 13 . 1 1 17 17 GLU HB2 H 1 1.871 0.050 . 1 . . . . . 5 GLU HB . 27573 1 14 . 1 1 17 17 GLU HB3 H 1 1.871 0.050 . 1 . . . . . 5 GLU HB . 27573 1 15 . 1 1 17 17 GLU HG2 H 1 2.146 0.050 . 1 . . . . . 5 GLU HG . 27573 1 16 . 1 1 17 17 GLU HG3 H 1 2.146 0.050 . 1 . . . . . 5 GLU HG . 27573 1 17 . 1 1 17 17 GLU CA C 13 53.890 0.500 . 1 . . . . . 5 GLU CA . 27573 1 18 . 1 1 17 17 GLU CB C 13 27.681 0.500 . 1 . . . . . 5 GLU CB . 27573 1 19 . 1 1 17 17 GLU CG C 13 33.662 0.500 . 1 . . . . . 5 GLU CG . 27573 1 20 . 1 1 17 17 GLU N N 15 121.247 0.500 . 1 . . . . . 5 GLU N . 27573 1 21 . 1 1 18 18 ALA H H 1 8.212 0.050 . 1 . . . . . 6 ALA H . 27573 1 22 . 1 1 18 18 ALA HA H 1 4.179 0.050 . 1 . . . . . 6 ALA HA . 27573 1 23 . 1 1 18 18 ALA HB1 H 1 1.254 0.050 . 1 . . . . . 6 ALA HB . 27573 1 24 . 1 1 18 18 ALA HB2 H 1 1.254 0.050 . 1 . . . . . 6 ALA HB . 27573 1 25 . 1 1 18 18 ALA HB3 H 1 1.254 0.050 . 1 . . . . . 6 ALA HB . 27573 1 26 . 1 1 18 18 ALA CA C 13 49.660 0.500 . 1 . . . . . 6 ALA CA . 27573 1 27 . 1 1 18 18 ALA CB C 13 16.411 0.500 . 1 . . . . . 6 ALA CB . 27573 1 28 . 1 1 18 18 ALA N N 15 125.100 0.500 . 1 . . . . . 6 ALA N . 27573 1 29 . 1 1 19 19 LYS H H 1 8.257 0.050 . 1 . . . . . 7 LYS H . 27573 1 30 . 1 1 19 19 LYS N N 15 122.066 0.500 . 1 . . . . . 7 LYS N . 27573 1 31 . 1 1 20 20 PRO HA H 1 4.356 0.050 . 1 . . . . . 8 PRO HA . 27573 1 32 . 1 1 20 20 PRO HB2 H 1 2.191 0.050 . 1 . . . . . 8 PRO HB . 27573 1 33 . 1 1 20 20 PRO HB3 H 1 2.191 0.050 . 1 . . . . . 8 PRO HB . 27573 1 34 . 1 1 20 20 PRO HG2 H 1 1.841 0.050 . 1 . . . . . 8 PRO HG . 27573 1 35 . 1 1 20 20 PRO HG3 H 1 1.841 0.050 . 1 . . . . . 8 PRO HG . 27573 1 36 . 1 1 20 20 PRO HD2 H 1 3.589 0.050 . 1 . . . . . 8 PRO HD . 27573 1 37 . 1 1 20 20 PRO HD3 H 1 3.589 0.050 . 1 . . . . . 8 PRO HD . 27573 1 38 . 1 1 20 20 PRO CA C 13 60.462 0.500 . 1 . . . . . 8 PRO CA . 27573 1 39 . 1 1 20 20 PRO CB C 13 29.441 0.500 . 1 . . . . . 8 PRO CB . 27573 1 40 . 1 1 20 20 PRO CG C 13 24.693 0.500 . 1 . . . . . 8 PRO CG . 27573 1 41 . 1 1 20 20 PRO CD C 13 47.889 0.500 . 1 . . . . . 8 PRO CD . 27573 1 42 . 1 1 21 21 SER H H 1 8.552 0.050 . 1 . . . . . 9 SER H . 27573 1 43 . 1 1 21 21 SER HA H 1 4.405 0.050 . 1 . . . . . 9 SER HA . 27573 1 44 . 1 1 21 21 SER HB2 H 1 3.816 0.050 . 1 . . . . . 9 SER HB . 27573 1 45 . 1 1 21 21 SER HB3 H 1 3.816 0.050 . 1 . . . . . 9 SER HB . 27573 1 46 . 1 1 21 21 SER CA C 13 55.584 0.500 . 1 . . . . . 9 SER CA . 27573 1 47 . 1 1 21 21 SER CB C 13 61.103 0.500 . 1 . . . . . 9 SER CB . 27573 1 48 . 1 1 21 21 SER N N 15 116.626 0.500 . 1 . . . . . 9 SER N . 27573 1 49 . 1 1 22 22 THR H H 1 8.207 0.050 . 1 . . . . . 10 THR H . 27573 1 50 . 1 1 22 22 THR HA H 1 4.190 0.050 . 1 . . . . . 10 THR HA . 27573 1 51 . 1 1 22 22 THR CA C 13 59.236 0.500 . 1 . . . . . 10 THR CA . 27573 1 52 . 1 1 22 22 THR CB C 13 66.829 0.500 . 1 . . . . . 10 THR CB . 27573 1 53 . 1 1 22 22 THR N N 15 115.569 0.500 . 1 . . . . . 10 THR N . 27573 1 54 . 1 1 23 23 GLU H H 1 8.352 0.050 . 1 . . . . . 11 GLU H . 27573 1 55 . 1 1 23 23 GLU HB2 H 1 2.117 0.050 . 1 . . . . . 11 GLU HB . 27573 1 56 . 1 1 23 23 GLU HB3 H 1 2.117 0.050 . 1 . . . . . 11 GLU HB . 27573 1 57 . 1 1 23 23 GLU CA C 13 53.961 0.500 . 1 . . . . . 11 GLU CA . 27573 1 58 . 1 1 23 23 GLU CB C 13 27.779 0.500 . 1 . . . . . 11 GLU CB . 27573 1 59 . 1 1 23 23 GLU CG C 13 33.634 0.500 . 1 . . . . . 11 GLU CG . 27573 1 60 . 1 1 23 23 GLU N N 15 122.635 0.500 . 1 . . . . . 11 GLU N . 27573 1 61 . 1 1 24 24 ASP H H 1 8.365 0.050 . 1 . . . . . 12 ASP H . 27573 1 62 . 1 1 24 24 ASP HA H 1 4.484 0.050 . 1 . . . . . 12 ASP HA . 27573 1 63 . 1 1 24 24 ASP HB2 H 1 2.570 0.050 . 1 . . . . . 12 ASP HB . 27573 1 64 . 1 1 24 24 ASP HB3 H 1 2.570 0.050 . 1 . . . . . 12 ASP HB . 27573 1 65 . 1 1 24 24 ASP CA C 13 51.672 0.500 . 1 . . . . . 12 ASP CA . 27573 1 66 . 1 1 24 24 ASP CB C 13 38.582 0.500 . 1 . . . . . 12 ASP CB . 27573 1 67 . 1 1 24 24 ASP N N 15 121.763 0.500 . 1 . . . . . 12 ASP N . 27573 1 68 . 1 1 25 25 LEU H H 1 8.298 0.050 . 1 . . . . . 13 LEU H . 27573 1 69 . 1 1 25 25 LEU HA H 1 4.218 0.050 . 1 . . . . . 13 LEU HA . 27573 1 70 . 1 1 25 25 LEU HB2 H 1 1.546 0.050 . 1 . . . . . 13 LEU HB . 27573 1 71 . 1 1 25 25 LEU HB3 H 1 1.546 0.050 . 1 . . . . . 13 LEU HB . 27573 1 72 . 1 1 25 25 LEU HD11 H 1 0.767 0.050 . 1 . . . . . 13 LEU HD . 27573 1 73 . 1 1 25 25 LEU HD12 H 1 0.767 0.050 . 1 . . . . . 13 LEU HD . 27573 1 74 . 1 1 25 25 LEU HD13 H 1 0.767 0.050 . 1 . . . . . 13 LEU HD . 27573 1 75 . 1 1 25 25 LEU HD21 H 1 0.767 0.050 . 1 . . . . . 13 LEU HD . 27573 1 76 . 1 1 25 25 LEU HD22 H 1 0.767 0.050 . 1 . . . . . 13 LEU HD . 27573 1 77 . 1 1 25 25 LEU HD23 H 1 0.767 0.050 . 1 . . . . . 13 LEU HD . 27573 1 78 . 1 1 25 25 LEU CA C 13 52.575 0.500 . 1 . . . . . 13 LEU CA . 27573 1 79 . 1 1 25 25 LEU CB C 13 39.382 0.500 . 1 . . . . . 13 LEU CB . 27573 1 80 . 1 1 25 25 LEU CG C 13 24.298 0.500 . 1 . . . . . 13 LEU CG . 27573 1 81 . 1 1 25 25 LEU CD1 C 13 22.222 0.500 . 1 . . . . . 13 LEU CD . 27573 1 82 . 1 1 25 25 LEU CD2 C 13 22.222 0.500 . 1 . . . . . 13 LEU CD . 27573 1 83 . 1 1 25 25 LEU N N 15 123.377 0.500 . 1 . . . . . 13 LEU N . 27573 1 84 . 1 1 26 26 GLY H H 1 8.425 0.050 . 1 . . . . . 14 GLY H . 27573 1 85 . 1 1 26 26 GLY HA2 H 1 3.817 0.050 . 1 . . . . . 14 GLY HA . 27573 1 86 . 1 1 26 26 GLY HA3 H 1 3.817 0.050 . 1 . . . . . 14 GLY HA . 27573 1 87 . 1 1 26 26 GLY CA C 13 42.853 0.500 . 1 . . . . . 14 GLY CA . 27573 1 88 . 1 1 26 26 GLY N N 15 108.813 0.500 . 1 . . . . . 14 GLY N . 27573 1 89 . 1 1 27 27 ASP H H 1 8.213 0.050 . 1 . . . . . 15 ASP H . 27573 1 90 . 1 1 27 27 ASP N N 15 120.359 0.500 . 1 . . . . . 15 ASP N . 27573 1 91 . 1 1 28 28 LYS H H 1 8.297 0.050 . 1 . . . . . 16 LYS H . 27573 1 92 . 1 1 28 28 LYS CA C 13 55.866 0.500 . 1 . . . . . 16 LYS CA . 27573 1 93 . 1 1 28 28 LYS CB C 13 29.831 0.500 . 1 . . . . . 16 LYS CB . 27573 1 94 . 1 1 28 28 LYS CG C 13 22.070 0.500 . 1 . . . . . 16 LYS CG . 27573 1 95 . 1 1 28 28 LYS CD C 13 26.261 0.500 . 1 . . . . . 16 LYS CD . 27573 1 96 . 1 1 28 28 LYS N N 15 116.353 0.500 . 1 . . . . . 16 LYS N . 27573 1 97 . 1 1 29 29 LYS H H 1 8.344 0.050 . 1 . . . . . 17 LYS H . 27573 1 98 . 1 1 29 29 LYS HA H 1 4.212 0.050 . 1 . . . . . 17 LYS HA . 27573 1 99 . 1 1 29 29 LYS HB2 H 1 1.701 0.050 . 1 . . . . . 17 LYS HB . 27573 1 100 . 1 1 29 29 LYS HB3 H 1 1.701 0.050 . 1 . . . . . 17 LYS HB . 27573 1 101 . 1 1 29 29 LYS HG2 H 1 1.318 0.050 . 1 . . . . . 17 LYS HG . 27573 1 102 . 1 1 29 29 LYS HG3 H 1 1.318 0.050 . 1 . . . . . 17 LYS HG . 27573 1 103 . 1 1 29 29 LYS HE2 H 1 2.927 0.050 . 1 . . . . . 17 LYS HE . 27573 1 104 . 1 1 29 29 LYS HE3 H 1 2.927 0.050 . 1 . . . . . 17 LYS HE . 27573 1 105 . 1 1 29 29 LYS CA C 13 53.787 0.500 . 1 . . . . . 17 LYS CA . 27573 1 106 . 1 1 29 29 LYS CB C 13 29.990 0.500 . 1 . . . . . 17 LYS CB . 27573 1 107 . 1 1 29 29 LYS CG C 13 22.051 0.500 . 1 . . . . . 17 LYS CG . 27573 1 108 . 1 1 29 29 LYS CD C 13 26.215 0.500 . 1 . . . . . 17 LYS CD . 27573 1 109 . 1 1 29 29 LYS N N 15 122.078 0.500 . 1 . . . . . 17 LYS N . 27573 1 110 . 1 1 30 30 GLU H H 1 8.473 0.050 . 1 . . . . . 18 GLU H . 27573 1 111 . 1 1 30 30 GLU HB2 H 1 2.165 0.050 . 1 . . . . . 18 GLU HB1 . 27573 1 112 . 1 1 30 30 GLU HB3 H 1 1.944 0.050 . 1 . . . . . 18 GLU HB2 . 27573 1 113 . 1 1 30 30 GLU HG2 H 1 2.165 0.050 . 1 . . . . . 18 GLU HG# . 27573 1 114 . 1 1 30 30 GLU HG3 H 1 2.165 0.050 . 1 . . . . . 18 GLU HG# . 27573 1 115 . 1 1 30 30 GLU CA C 13 54.145 0.500 . 1 . . . . . 18 GLU CA . 27573 1 116 . 1 1 30 30 GLU CB C 13 27.631 0.500 . 1 . . . . . 18 GLU CB . 27573 1 117 . 1 1 30 30 GLU CG C 13 33.626 0.500 . 1 . . . . . 18 GLU CG . 27573 1 118 . 1 1 30 30 GLU N N 15 121.700 0.500 . 1 . . . . . 18 GLU N . 27573 1 119 . 1 1 31 31 GLY H H 1 8.423 0.050 . 1 . . . . . 19 GLY H . 27573 1 120 . 1 1 31 31 GLY CA C 13 42.822 0.500 . 1 . . . . . 19 GLY CA . 27573 1 121 . 1 1 31 31 GLY N N 15 109.447 0.500 . 1 . . . . . 19 GLY N . 27573 1 122 . 1 1 32 32 GLU H H 1 8.213 0.050 . 1 . . . . . 20 GLU H . 27573 1 123 . 1 1 32 32 GLU HA H 1 4.251 0.050 . 1 . . . . . 20 GLU HA . 27573 1 124 . 1 1 32 32 GLU HB2 H 1 1.933 0.050 . 1 . . . . . 20 GLU HB . 27573 1 125 . 1 1 32 32 GLU HB3 H 1 1.933 0.050 . 1 . . . . . 20 GLU HB . 27573 1 126 . 1 1 32 32 GLU HG2 H 1 2.189 0.050 . 1 . . . . . 20 GLU HG . 27573 1 127 . 1 1 32 32 GLU HG3 H 1 2.189 0.050 . 1 . . . . . 20 GLU HG . 27573 1 128 . 1 1 32 32 GLU N N 15 119.597 0.500 . 1 . . . . . 20 GLU N . 27573 1 129 . 1 1 33 33 TYR H H 1 8.431 0.050 . 1 . . . . . 21 TYR H . 27573 1 130 . 1 1 33 33 TYR HA H 1 4.498 0.050 . 1 . . . . . 21 TYR HA . 27573 1 131 . 1 1 33 33 TYR HB2 H 1 2.570 0.050 . 1 . . . . . 21 TYR HB . 27573 1 132 . 1 1 33 33 TYR HB3 H 1 2.570 0.050 . 1 . . . . . 21 TYR HB . 27573 1 133 . 1 1 33 33 TYR HD1 H 1 6.954 0.050 . 1 . . . . . 21 TYR HD# . 27573 1 134 . 1 1 33 33 TYR HD2 H 1 6.954 0.050 . 1 . . . . . 21 TYR HD# . 27573 1 135 . 1 1 33 33 TYR HE1 H 1 6.926 0.050 . 1 . . . . . 21 TYR HE# . 27573 1 136 . 1 1 33 33 TYR HE2 H 1 6.926 0.050 . 1 . . . . . 21 TYR HE# . 27573 1 137 . 1 1 33 33 TYR CA C 13 51.630 0.500 . 1 . . . . . 21 TYR CA . 27573 1 138 . 1 1 33 33 TYR CB C 13 38.575 0.500 . 1 . . . . . 21 TYR CB . 27573 1 139 . 1 1 33 33 TYR CD1 C 13 131.447 0.500 . 1 . . . . . 21 TYR CD# . 27573 1 140 . 1 1 33 33 TYR CD2 C 13 131.447 0.500 . 1 . . . . . 21 TYR CD# . 27573 1 141 . 1 1 33 33 TYR CE1 C 13 118.093 0.500 . 1 . . . . . 21 TYR CE# . 27573 1 142 . 1 1 33 33 TYR CE2 C 13 118.093 0.500 . 1 . . . . . 21 TYR CE# . 27573 1 143 . 1 1 33 33 TYR N N 15 121.619 0.500 . 1 . . . . . 21 TYR N . 27573 1 144 . 1 1 34 34 ILE H H 1 8.328 0.050 . 1 . . . . . 22 ILE H . 27573 1 145 . 1 1 34 34 ILE N N 15 123.450 0.500 . 1 . . . . . 22 ILE N . 27573 1 146 . 1 1 35 35 LYS HA H 1 5.098 0.050 . 1 . . . . . 23 LYS HA . 27573 1 147 . 1 1 35 35 LYS HB2 H 1 1.618 0.050 . 1 . . . . . 23 LYS HB . 27573 1 148 . 1 1 35 35 LYS HB3 H 1 1.618 0.050 . 1 . . . . . 23 LYS HB . 27573 1 149 . 1 1 35 35 LYS CA C 13 52.446 0.500 . 1 . . . . . 23 LYS CA . 27573 1 150 . 1 1 36 36 LEU H H 1 8.968 0.050 . 1 . . . . . 24 LEU H . 27573 1 151 . 1 1 36 36 LEU CA C 13 50.116 0.500 . 1 . . . . . 24 LEU CA . 27573 1 152 . 1 1 36 36 LEU CB C 13 43.598 0.500 . 1 . . . . . 24 LEU CB . 27573 1 153 . 1 1 36 36 LEU CG C 13 29.913 0.500 . 1 . . . . . 24 LEU CG . 27573 1 154 . 1 1 36 36 LEU CD1 C 13 23.938 0.500 . 1 . . . . . 24 LEU CD . 27573 1 155 . 1 1 36 36 LEU CD2 C 13 23.938 0.500 . 1 . . . . . 24 LEU CD . 27573 1 156 . 1 1 36 36 LEU N N 15 124.493 0.500 . 1 . . . . . 24 LEU N . 27573 1 157 . 1 1 37 37 LYS H H 1 8.606 0.050 . 1 . . . . . 25 LYS H . 27573 1 158 . 1 1 37 37 LYS HA H 1 4.674 0.050 . 1 . . . . . 25 LYS HA . 27573 1 159 . 1 1 37 37 LYS HB2 H 1 1.418 0.050 . 1 . . . . . 25 LYS HB . 27573 1 160 . 1 1 37 37 LYS HB3 H 1 1.418 0.050 . 1 . . . . . 25 LYS HB . 27573 1 161 . 1 1 37 37 LYS HG2 H 1 0.791 0.050 . 1 . . . . . 25 LYS HG . 27573 1 162 . 1 1 37 37 LYS HG3 H 1 0.791 0.050 . 1 . . . . . 25 LYS HG . 27573 1 163 . 1 1 37 37 LYS HD2 H 1 1.519 0.050 . 1 . . . . . 25 LYS HD# . 27573 1 164 . 1 1 37 37 LYS HD3 H 1 1.519 0.050 . 1 . . . . . 25 LYS HD# . 27573 1 165 . 1 1 37 37 LYS CA C 13 52.408 0.500 . 1 . . . . . 25 LYS CA . 27573 1 166 . 1 1 37 37 LYS CB C 13 32.060 0.500 . 1 . . . . . 25 LYS CB . 27573 1 167 . 1 1 37 37 LYS CG C 13 21.890 0.500 . 1 . . . . . 25 LYS CG . 27573 1 168 . 1 1 37 37 LYS N N 15 120.702 0.500 . 1 . . . . . 25 LYS N . 27573 1 169 . 1 1 38 38 VAL H H 1 9.092 0.050 . 1 . . . . . 26 VAL H . 27573 1 170 . 1 1 38 38 VAL HA H 1 4.887 0.050 . 1 . . . . . 26 VAL HA . 27573 1 171 . 1 1 38 38 VAL HB H 1 2.114 0.050 . 1 . . . . . 26 VAL HB . 27573 1 172 . 1 1 38 38 VAL HG11 H 1 0.707 0.050 . 1 . . . . . 26 VAL HG . 27573 1 173 . 1 1 38 38 VAL HG12 H 1 0.707 0.050 . 1 . . . . . 26 VAL HG . 27573 1 174 . 1 1 38 38 VAL HG13 H 1 0.707 0.050 . 1 . . . . . 26 VAL HG . 27573 1 175 . 1 1 38 38 VAL HG21 H 1 0.707 0.050 . 1 . . . . . 26 VAL HG . 27573 1 176 . 1 1 38 38 VAL HG22 H 1 0.707 0.050 . 1 . . . . . 26 VAL HG . 27573 1 177 . 1 1 38 38 VAL HG23 H 1 0.707 0.050 . 1 . . . . . 26 VAL HG . 27573 1 178 . 1 1 38 38 VAL CA C 13 58.470 0.500 . 1 . . . . . 26 VAL CA . 27573 1 179 . 1 1 38 38 VAL CB C 13 29.807 0.500 . 1 . . . . . 26 VAL CB . 27573 1 180 . 1 1 38 38 VAL CG1 C 13 19.472 0.500 . 1 . . . . . 26 VAL CG# . 27573 1 181 . 1 1 38 38 VAL CG2 C 13 19.472 0.500 . 1 . . . . . 26 VAL CG# . 27573 1 182 . 1 1 38 38 VAL N N 15 124.250 0.500 . 1 . . . . . 26 VAL N . 27573 1 183 . 1 1 39 39 ILE H H 1 8.987 0.050 . 1 . . . . . 27 ILE H . 27573 1 184 . 1 1 39 39 ILE HA H 1 4.942 0.050 . 1 . . . . . 27 ILE HA . 27573 1 185 . 1 1 39 39 ILE HB H 1 1.777 0.050 . 1 . . . . . 27 ILE HB . 27573 1 186 . 1 1 39 39 ILE HG12 H 1 0.944 0.050 . 1 . . . . . 27 ILE HG1 . 27573 1 187 . 1 1 39 39 ILE HG13 H 1 0.944 0.050 . 1 . . . . . 27 ILE HG1 . 27573 1 188 . 1 1 39 39 ILE HD11 H 1 0.326 0.050 . 1 . . . . . 27 ILE HD1# . 27573 1 189 . 1 1 39 39 ILE HD12 H 1 0.326 0.050 . 1 . . . . . 27 ILE HD1# . 27573 1 190 . 1 1 39 39 ILE HD13 H 1 0.326 0.050 . 1 . . . . . 27 ILE HD1# . 27573 1 191 . 1 1 39 39 ILE CA C 13 57.041 0.500 . 1 . . . . . 27 ILE CA . 27573 1 192 . 1 1 39 39 ILE CB C 13 36.611 0.500 . 1 . . . . . 27 ILE CB . 27573 1 193 . 1 1 39 39 ILE CG1 C 13 24.757 0.500 . 1 . . . . . 27 ILE CG1 . 27573 1 194 . 1 1 39 39 ILE CD1 C 13 14.463 0.500 . 1 . . . . . 27 ILE CD . 27573 1 195 . 1 1 39 39 ILE N N 15 127.998 0.500 . 1 . . . . . 27 ILE N . 27573 1 196 . 1 1 40 40 GLY H H 1 8.642 0.050 . 1 . . . . . 28 GLY H . 27573 1 197 . 1 1 40 40 GLY CA C 13 41.478 0.500 . 1 . . . . . 28 GLY CA . 27573 1 198 . 1 1 40 40 GLY N N 15 113.110 0.050 . 1 . . . . . 28 GLY N . 27573 1 199 . 1 1 41 41 GLN H H 1 8.845 0.050 . 1 . . . . . 29 GLN H . 27573 1 200 . 1 1 41 41 GLN HA H 1 4.167 0.050 . 1 . . . . . 29 GLN HA . 27573 1 201 . 1 1 41 41 GLN HB2 H 1 2.079 0.050 . 1 . . . . . 29 GLN HB . 27573 1 202 . 1 1 41 41 GLN HB3 H 1 2.079 0.050 . 1 . . . . . 29 GLN HB . 27573 1 203 . 1 1 41 41 GLN HG2 H 1 2.489 0.050 . 1 . . . . . 29 GLN HG . 27573 1 204 . 1 1 41 41 GLN HG3 H 1 2.489 0.050 . 1 . . . . . 29 GLN HG . 27573 1 205 . 1 1 41 41 GLN CA C 13 55.212 0.500 . 1 . . . . . 29 GLN CA . 27573 1 206 . 1 1 41 41 GLN CB C 13 26.093 0.500 . 1 . . . . . 29 GLN CB . 27573 1 207 . 1 1 41 41 GLN CG C 13 31.737 0.500 . 1 . . . . . 29 GLN CG . 27573 1 208 . 1 1 41 41 GLN N N 15 120.529 0.500 . 1 . . . . . 29 GLN N . 27573 1 209 . 1 1 42 42 ASP H H 1 8.382 0.050 . 1 . . . . . 30 ASP H . 27573 1 210 . 1 1 42 42 ASP HA H 1 4.580 0.050 . 1 . . . . . 30 ASP HA . 27573 1 211 . 1 1 42 42 ASP HB2 H 1 2.974 0.050 . 1 . . . . . 30 ASP HB . 27573 1 212 . 1 1 42 42 ASP HB3 H 1 2.974 0.050 . 1 . . . . . 30 ASP HB . 27573 1 213 . 1 1 42 42 ASP CA C 13 50.901 0.500 . 1 . . . . . 30 ASP CA . 27573 1 214 . 1 1 42 42 ASP CB C 13 37.210 0.500 . 1 . . . . . 30 ASP CB . 27573 1 215 . 1 1 42 42 ASP N N 15 118.160 0.500 . 1 . . . . . 30 ASP N . 27573 1 216 . 1 1 43 43 SER H H 1 8.031 0.050 . 1 . . . . . 31 SER H . 27573 1 217 . 1 1 43 43 SER HA H 1 4.063 0.050 . 1 . . . . . 31 SER HA . 27573 1 218 . 1 1 43 43 SER HB2 H 1 3.929 0.050 . 1 . . . . . 31 SER HB . 27573 1 219 . 1 1 43 43 SER HB3 H 1 3.929 0.050 . 1 . . . . . 31 SER HB . 27573 1 220 . 1 1 43 43 SER CA C 13 57.769 0.500 . 1 . . . . . 31 SER CA . 27573 1 221 . 1 1 43 43 SER CB C 13 59.454 0.500 . 1 . . . . . 31 SER CB . 27573 1 222 . 1 1 43 43 SER N N 15 111.005 0.500 . 1 . . . . . 31 SER N . 27573 1 223 . 1 1 44 44 SER H H 1 8.044 0.050 . 1 . . . . . 32 SER H . 27573 1 224 . 1 1 44 44 SER HA H 1 4.340 0.050 . 1 . . . . . 32 SER HA . 27573 1 225 . 1 1 44 44 SER HB2 H 1 3.829 0.050 . 1 . . . . . 32 SER HB . 27573 1 226 . 1 1 44 44 SER HB3 H 1 3.829 0.050 . 1 . . . . . 32 SER HB . 27573 1 227 . 1 1 44 44 SER CA C 13 55.804 0.500 . 1 . . . . . 32 SER CA . 27573 1 228 . 1 1 44 44 SER CB C 13 61.250 0.500 . 1 . . . . . 32 SER CB . 27573 1 229 . 1 1 44 44 SER N N 15 117.176 0.500 . 1 . . . . . 32 SER N . 27573 1 230 . 1 1 45 45 GLU H H 1 8.568 0.050 . 1 . . . . . 33 GLU H . 27573 1 231 . 1 1 45 45 GLU HA H 1 5.226 0.050 . 1 . . . . . 33 GLU HA . 27573 1 232 . 1 1 45 45 GLU HB2 H 1 1.944 0.050 . 1 . . . . . 33 GLU HB . 27573 1 233 . 1 1 45 45 GLU HB3 H 1 1.944 0.050 . 1 . . . . . 33 GLU HB . 27573 1 234 . 1 1 45 45 GLU CA C 13 52.630 0.500 . 1 . . . . . 33 GLU CA . 27573 1 235 . 1 1 45 45 GLU CB C 13 29.742 0.500 . 1 . . . . . 33 GLU CB . 27573 1 236 . 1 1 45 45 GLU CG C 13 33.560 0.050 . 1 . . . . . 33 GLU CG . 27573 1 237 . 1 1 45 45 GLU N N 15 121.849 0.500 . 1 . . . . . 33 GLU N . 27573 1 238 . 1 1 46 46 ILE H H 1 8.711 0.050 . 1 . . . . . 34 ILE H . 27573 1 239 . 1 1 46 46 ILE HG21 H 1 1.532 0.050 . 1 . . . . . 34 ILE HG2 . 27573 1 240 . 1 1 46 46 ILE HG22 H 1 1.532 0.050 . 1 . . . . . 34 ILE HG2 . 27573 1 241 . 1 1 46 46 ILE HG23 H 1 1.532 0.050 . 1 . . . . . 34 ILE HG2 . 27573 1 242 . 1 1 46 46 ILE HD11 H 1 0.337 0.050 . 1 . . . . . 34 ILE HD . 27573 1 243 . 1 1 46 46 ILE HD12 H 1 0.337 0.050 . 1 . . . . . 34 ILE HD . 27573 1 244 . 1 1 46 46 ILE HD13 H 1 0.337 0.050 . 1 . . . . . 34 ILE HD . 27573 1 245 . 1 1 46 46 ILE N N 15 124.447 0.500 . 1 . . . . . 34 ILE N . 27573 1 246 . 1 1 47 47 HIS HD2 H 1 6.733 0.050 . 1 . . . . . 35 HIS HD2 . 27573 1 247 . 1 1 47 47 HIS HE1 H 1 7.914 0.050 . 1 . . . . . 35 HIS HE1 . 27573 1 248 . 1 1 47 47 HIS CD2 C 13 116.892 0.500 . 1 . . . . . 35 HIS CD2 . 27573 1 249 . 1 1 47 47 HIS CE1 C 13 136.670 0.500 . 1 . . . . . 35 HIS CE1 . 27573 1 250 . 1 1 48 48 PHE H H 1 9.076 0.050 . 1 . . . . . 36 PHE H . 27573 1 251 . 1 1 48 48 PHE HA H 1 3.903 0.050 . 1 . . . . . 36 PHE HA . 27573 1 252 . 1 1 48 48 PHE HB2 H 1 1.811 0.050 . 1 . . . . . 36 PHE HB . 27573 1 253 . 1 1 48 48 PHE HB3 H 1 1.811 0.050 . 1 . . . . . 36 PHE HB . 27573 1 254 . 1 1 48 48 PHE HD1 H 1 7.207 0.050 . 1 . . . . . 36 PHE HD . 27573 1 255 . 1 1 48 48 PHE HD2 H 1 7.207 0.050 . 1 . . . . . 36 PHE HD . 27573 1 256 . 1 1 48 48 PHE HE1 H 1 7.203 0.050 . 1 . . . . . 36 PHE HE1 . 27573 1 257 . 1 1 48 48 PHE HE2 H 1 7.715 0.050 . 1 . . . . . 36 PHE HE2 . 27573 1 258 . 1 1 48 48 PHE CA C 13 55.733 0.500 . 1 . . . . . 36 PHE CA . 27573 1 259 . 1 1 48 48 PHE CB C 13 40.445 0.500 . 1 . . . . . 36 PHE CB . 27573 1 260 . 1 1 48 48 PHE N N 15 119.837 0.500 . 1 . . . . . 36 PHE N . 27573 1 261 . 1 1 49 49 LYS H H 1 8.001 0.050 . 1 . . . . . 37 LYS H . 27573 1 262 . 1 1 49 49 LYS HA H 1 5.216 0.050 . 1 . . . . . 37 LYS HA . 27573 1 263 . 1 1 49 49 LYS HE2 H 1 3.163 0.050 . 1 . . . . . 37 LYS HE . 27573 1 264 . 1 1 49 49 LYS HE3 H 1 3.163 0.050 . 1 . . . . . 37 LYS HE . 27573 1 265 . 1 1 49 49 LYS N N 15 113.449 0.500 . 1 . . . . . 37 LYS N . 27573 1 266 . 1 1 50 50 VAL H H 1 9.155 0.050 . 1 . . . . . 38 VAL H . 27573 1 267 . 1 1 50 50 VAL HA H 1 3.857 0.050 . 1 . . . . . 38 VAL HA . 27573 1 268 . 1 1 50 50 VAL HG11 H 1 1.498 0.050 . 1 . . . . . 38 VAL HG1 . 27573 1 269 . 1 1 50 50 VAL HG12 H 1 1.498 0.050 . 1 . . . . . 38 VAL HG1 . 27573 1 270 . 1 1 50 50 VAL HG13 H 1 1.498 0.050 . 1 . . . . . 38 VAL HG1 . 27573 1 271 . 1 1 50 50 VAL N N 15 119.982 0.500 . 1 . . . . . 38 VAL N . 27573 1 272 . 1 1 51 51 LYS H H 1 7.486 0.050 . 1 . . . . . 39 LYS H . 27573 1 273 . 1 1 51 51 LYS HA H 1 4.983 0.050 . 1 . . . . . 39 LYS HA . 27573 1 274 . 1 1 51 51 LYS HD2 H 1 1.568 0.050 . 1 . . . . . 39 LYS HD# . 27573 1 275 . 1 1 51 51 LYS HD3 H 1 1.568 0.050 . 1 . . . . . 39 LYS HD# . 27573 1 276 . 1 1 51 51 LYS N N 15 113.031 0.500 . 1 . . . . . 39 LYS N . 27573 1 277 . 1 1 52 52 MET H H 1 8.581 0.050 . 1 . . . . . 40 MET H . 27573 1 278 . 1 1 52 52 MET HA H 1 4.017 0.050 . 1 . . . . . 40 MET HA . 27573 1 279 . 1 1 52 52 MET HB2 H 1 2.253 0.050 . 1 . . . . . 40 MET HB . 27573 1 280 . 1 1 52 52 MET HB3 H 1 2.253 0.050 . 1 . . . . . 40 MET HB . 27573 1 281 . 1 1 52 52 MET HG2 H 1 2.563 0.050 . 1 . . . . . 40 MET HG . 27573 1 282 . 1 1 52 52 MET HG3 H 1 2.563 0.050 . 1 . . . . . 40 MET HG . 27573 1 283 . 1 1 52 52 MET HE1 H 1 1.910 0.050 . 1 . . . . . 40 MET HE . 27573 1 284 . 1 1 52 52 MET HE2 H 1 1.910 0.050 . 1 . . . . . 40 MET HE . 27573 1 285 . 1 1 52 52 MET HE3 H 1 1.910 0.050 . 1 . . . . . 40 MET HE . 27573 1 286 . 1 1 52 52 MET CA C 13 54.942 0.500 . 1 . . . . . 40 MET CA . 27573 1 287 . 1 1 52 52 MET CB C 13 29.723 0.500 . 1 . . . . . 40 MET CB . 27573 1 288 . 1 1 52 52 MET N N 15 120.103 0.500 . 1 . . . . . 40 MET N . 27573 1 289 . 1 1 53 53 THR H H 1 6.982 0.050 . 1 . . . . . 41 THR H . 27573 1 290 . 1 1 53 53 THR HA H 1 4.412 0.050 . 1 . . . . . 41 THR HA . 27573 1 291 . 1 1 53 53 THR HB H 1 4.001 0.050 . 1 . . . . . 41 THR HB . 27573 1 292 . 1 1 53 53 THR HG21 H 1 1.081 0.050 . 1 . . . . . 41 THR HG2# . 27573 1 293 . 1 1 53 53 THR HG22 H 1 1.081 0.050 . 1 . . . . . 41 THR HG2# . 27573 1 294 . 1 1 53 53 THR HG23 H 1 1.081 0.050 . 1 . . . . . 41 THR HG2# . 27573 1 295 . 1 1 53 53 THR CA C 13 62.099 0.500 . 1 . . . . . 41 THR CA . 27573 1 296 . 1 1 53 53 THR CB C 13 65.997 0.500 . 1 . . . . . 41 THR CB . 27573 1 297 . 1 1 53 53 THR N N 15 100.357 0.500 . 1 . . . . . 41 THR N . 27573 1 298 . 1 1 54 54 THR H H 1 7.232 0.050 . 1 . . . . . 42 THR H . 27573 1 299 . 1 1 54 54 THR HG21 H 1 0.833 0.050 . 1 . . . . . 42 THR HG2# . 27573 1 300 . 1 1 54 54 THR HG22 H 1 0.833 0.050 . 1 . . . . . 42 THR HG2# . 27573 1 301 . 1 1 54 54 THR HG23 H 1 0.833 0.050 . 1 . . . . . 42 THR HG2# . 27573 1 302 . 1 1 54 54 THR N N 15 120.683 0.500 . 1 . . . . . 42 THR N . 27573 1 303 . 1 1 55 55 HIS HA H 1 4.466 0.050 . 1 . . . . . 43 HIS HA . 27573 1 304 . 1 1 55 55 HIS HB2 H 1 3.696 0.050 . 1 . . . . . 43 HIS HB1 . 27573 1 305 . 1 1 55 55 HIS HB3 H 1 3.176 0.050 . 1 . . . . . 43 HIS HB2 . 27573 1 306 . 1 1 55 55 HIS CA C 13 53.919 0.500 . 1 . . . . . 43 HIS CA . 27573 1 307 . 1 1 55 55 HIS CB C 13 27.689 0.500 . 1 . . . . . 43 HIS CB . 27573 1 308 . 1 1 56 56 LEU H H 1 9.293 0.050 . 1 . . . . . 44 LEU H . 27573 1 309 . 1 1 56 56 LEU HA H 1 4.530 0.050 . 1 . . . . . 44 LEU HA . 27573 1 310 . 1 1 56 56 LEU HB2 H 1 2.564 0.050 . 1 . . . . . 44 LEU HB . 27573 1 311 . 1 1 56 56 LEU HB3 H 1 2.564 0.050 . 1 . . . . . 44 LEU HB . 27573 1 312 . 1 1 56 56 LEU HG H 1 1.281 0.050 . 1 . . . . . 44 LEU HG . 27573 1 313 . 1 1 56 56 LEU N N 15 124.982 0.500 . 1 . . . . . 44 LEU N . 27573 1 314 . 1 1 57 57 LYS H H 1 8.262 0.050 . 1 . . . . . 45 LYS H . 27573 1 315 . 1 1 57 57 LYS HB2 H 1 1.738 0.050 . 1 . . . . . 45 LYS HB1 . 27573 1 316 . 1 1 57 57 LYS HB3 H 1 1.748 0.050 . 1 . . . . . 45 LYS HB2 . 27573 1 317 . 1 1 57 57 LYS HD2 H 1 1.413 0.050 . 1 . . . . . 45 LYS HD# . 27573 1 318 . 1 1 57 57 LYS HD3 H 1 1.413 0.050 . 1 . . . . . 45 LYS HD# . 27573 1 319 . 1 1 57 57 LYS N N 15 121.397 0.500 . 1 . . . . . 45 LYS N . 27573 1 320 . 1 1 59 59 LEU H H 1 6.916 0.050 . 1 . . . . . 47 LEU H . 27573 1 321 . 1 1 59 59 LEU HB2 H 1 1.617 0.050 . 1 . . . . . 47 LEU HB . 27573 1 322 . 1 1 59 59 LEU HB3 H 1 1.617 0.050 . 1 . . . . . 47 LEU HB . 27573 1 323 . 1 1 59 59 LEU HD11 H 1 0.376 0.050 . 1 . . . . . 47 LEU HD# . 27573 1 324 . 1 1 59 59 LEU HD12 H 1 0.376 0.050 . 1 . . . . . 47 LEU HD# . 27573 1 325 . 1 1 59 59 LEU HD13 H 1 0.376 0.050 . 1 . . . . . 47 LEU HD# . 27573 1 326 . 1 1 59 59 LEU HD21 H 1 0.376 0.050 . 1 . . . . . 47 LEU HD# . 27573 1 327 . 1 1 59 59 LEU HD22 H 1 0.376 0.050 . 1 . . . . . 47 LEU HD# . 27573 1 328 . 1 1 59 59 LEU HD23 H 1 0.376 0.050 . 1 . . . . . 47 LEU HD# . 27573 1 329 . 1 1 59 59 LEU N N 15 121.488 0.500 . 1 . . . . . 47 LEU N . 27573 1 330 . 1 1 60 60 LYS H H 1 7.736 0.050 . 1 . . . . . 48 LYS H . 27573 1 331 . 1 1 60 60 LYS HB2 H 1 1.829 0.050 . 1 . . . . . 48 LYS HB# . 27573 1 332 . 1 1 60 60 LYS HB3 H 1 1.829 0.050 . 1 . . . . . 48 LYS HB# . 27573 1 333 . 1 1 60 60 LYS HG2 H 1 1.261 0.050 . 1 . . . . . 48 LYS HG# . 27573 1 334 . 1 1 60 60 LYS HG3 H 1 1.261 0.050 . 1 . . . . . 48 LYS HG# . 27573 1 335 . 1 1 60 60 LYS HE2 H 1 3.538 0.050 . 1 . . . . . 48 LYS HE . 27573 1 336 . 1 1 60 60 LYS HE3 H 1 3.538 0.050 . 1 . . . . . 48 LYS HE . 27573 1 337 . 1 1 60 60 LYS CA C 13 58.138 0.500 . 1 . . . . . 48 LYS CA . 27573 1 338 . 1 1 60 60 LYS CB C 13 29.726 0.500 . 1 . . . . . 48 LYS CB . 27573 1 339 . 1 1 60 60 LYS CG C 13 23.255 0.500 . 1 . . . . . 48 LYS CG . 27573 1 340 . 1 1 60 60 LYS N N 15 119.262 0.500 . 1 . . . . . 48 LYS N . 27573 1 341 . 1 1 61 61 GLU H H 1 8.507 0.050 . 1 . . . . . 49 GLU H . 27573 1 342 . 1 1 61 61 GLU N N 15 118.161 0.500 . 1 . . . . . 49 GLU N . 27573 1 343 . 1 1 62 62 SER H H 1 7.934 0.050 . 1 . . . . . 50 SER H . 27573 1 344 . 1 1 62 62 SER HA H 1 4.438 0.050 . 1 . . . . . 50 SER HA . 27573 1 345 . 1 1 62 62 SER HB2 H 1 3.914 0.050 . 1 . . . . . 50 SER HB . 27573 1 346 . 1 1 62 62 SER HB3 H 1 3.914 0.050 . 1 . . . . . 50 SER HB . 27573 1 347 . 1 1 62 62 SER N N 15 115.223 0.500 . 1 . . . . . 50 SER N . 27573 1 348 . 1 1 63 63 TYR H H 1 8.857 0.050 . 1 . . . . . 51 TYR H . 27573 1 349 . 1 1 63 63 TYR HA H 1 3.946 0.050 . 1 . . . . . 51 TYR HA . 27573 1 350 . 1 1 63 63 TYR HB2 H 1 3.003 0.050 . 1 . . . . . 51 TYR HB1 . 27573 1 351 . 1 1 63 63 TYR HB3 H 1 2.716 0.050 . 1 . . . . . 51 TYR HB2 . 27573 1 352 . 1 1 63 63 TYR HD1 H 1 6.968 0.050 . 1 . . . . . 51 TYR HD1 . 27573 1 353 . 1 1 63 63 TYR HD2 H 1 6.943 0.050 . 1 . . . . . 51 TYR HD2 . 27573 1 354 . 1 1 63 63 TYR HE1 H 1 6.915 0.050 . 1 . . . . . 51 TYR HE# . 27573 1 355 . 1 1 63 63 TYR HE2 H 1 6.915 0.050 . 1 . . . . . 51 TYR HE# . 27573 1 356 . 1 1 63 63 TYR CA C 13 60.456 0.500 . 1 . . . . . 51 TYR CA . 27573 1 357 . 1 1 63 63 TYR CB C 13 35.619 0.500 . 1 . . . . . 51 TYR CB . 27573 1 358 . 1 1 63 63 TYR CD1 C 13 131.394 0.500 . 1 . . . . . 51 TYR CD# . 27573 1 359 . 1 1 63 63 TYR CD2 C 13 131.394 0.500 . 1 . . . . . 51 TYR CD# . 27573 1 360 . 1 1 63 63 TYR CE1 C 13 118.051 0.500 . 1 . . . . . 51 TYR CE# . 27573 1 361 . 1 1 63 63 TYR CE2 C 13 118.051 0.500 . 1 . . . . . 51 TYR CE# . 27573 1 362 . 1 1 63 63 TYR N N 15 123.160 0.500 . 1 . . . . . 51 TYR N . 27573 1 363 . 1 1 64 64 CYS H H 1 8.708 0.050 . 1 . . . . . 52 CYS H . 27573 1 364 . 1 1 64 64 CYS HA H 1 3.825 0.050 . 1 . . . . . 52 CYS HA . 27573 1 365 . 1 1 64 64 CYS HB2 H 1 3.312 0.050 . 1 . . . . . 52 CYS HB2 . 27573 1 366 . 1 1 64 64 CYS HB3 H 1 3.265 0.050 . 1 . . . . . 52 CYS HB3 . 27573 1 367 . 1 1 64 64 CYS CA C 13 62.146 0.500 . 1 . . . . . 52 CYS CA . 27573 1 368 . 1 1 64 64 CYS CB C 13 23.765 0.500 . 1 . . . . . 52 CYS CB . 27573 1 369 . 1 1 64 64 CYS N N 15 117.435 0.500 . 1 . . . . . 52 CYS N . 27573 1 370 . 1 1 65 65 GLN H H 1 8.150 0.050 . 1 . . . . . 53 GLN H . 27573 1 371 . 1 1 65 65 GLN HA H 1 4.017 0.050 . 1 . . . . . 53 GLN HA . 27573 1 372 . 1 1 65 65 GLN HB2 H 1 2.159 0.050 . 1 . . . . . 53 GLN HB . 27573 1 373 . 1 1 65 65 GLN HB3 H 1 2.159 0.050 . 1 . . . . . 53 GLN HB . 27573 1 374 . 1 1 65 65 GLN HG2 H 1 2.480 0.050 . 1 . . . . . 53 GLN HG . 27573 1 375 . 1 1 65 65 GLN HG3 H 1 2.480 0.050 . 1 . . . . . 53 GLN HG . 27573 1 376 . 1 1 65 65 GLN CA C 13 56.134 0.500 . 1 . . . . . 53 GLN CA . 27573 1 377 . 1 1 65 65 GLN CB C 13 25.655 0.500 . 1 . . . . . 53 GLN CB . 27573 1 378 . 1 1 65 65 GLN CG C 13 31.184 0.500 . 1 . . . . . 53 GLN CG . 27573 1 379 . 1 1 65 65 GLN N N 15 118.965 0.500 . 1 . . . . . 53 GLN N . 27573 1 380 . 1 1 66 66 ARG H H 1 7.946 0.050 . 1 . . . . . 54 ARG H . 27573 1 381 . 1 1 66 66 ARG N N 15 119.708 0.500 . 1 . . . . . 54 ARG N . 27573 1 382 . 1 1 67 67 GLN HA H 1 4.228 0.050 . 1 . . . . . 55 GLN HA . 27573 1 383 . 1 1 67 67 GLN HB2 H 1 1.407 0.050 . 1 . . . . . 55 GLN HB . 27573 1 384 . 1 1 67 67 GLN HB3 H 1 1.407 0.050 . 1 . . . . . 55 GLN HB . 27573 1 385 . 1 1 67 67 GLN HG2 H 1 1.938 0.050 . 1 . . . . . 55 GLN HG . 27573 1 386 . 1 1 67 67 GLN HG3 H 1 1.938 0.050 . 1 . . . . . 55 GLN HG . 27573 1 387 . 1 1 67 67 GLN CA C 13 52.423 0.500 . 1 . . . . . 55 GLN CA . 27573 1 388 . 1 1 67 67 GLN CB C 13 27.609 0.500 . 1 . . . . . 55 GLN CB . 27573 1 389 . 1 1 67 67 GLN CG C 13 30.607 0.500 . 1 . . . . . 55 GLN CG . 27573 1 390 . 1 1 68 68 GLY H H 1 7.883 0.050 . 1 . . . . . 56 GLY H . 27573 1 391 . 1 1 68 68 GLY N N 15 109.777 0.500 . 1 . . . . . 56 GLY N . 27573 1 392 . 1 1 69 69 VAL H H 1 7.710 0.050 . 1 . . . . . 57 VAL H . 27573 1 393 . 1 1 69 69 VAL N N 15 112.272 0.500 . 1 . . . . . 57 VAL N . 27573 1 394 . 1 1 70 70 PRO HA H 1 4.748 0.050 . 1 . . . . . 58 PRO HA . 27573 1 395 . 1 1 70 70 PRO HB2 H 1 1.569 0.050 . 1 . . . . . 58 PRO HB . 27573 1 396 . 1 1 70 70 PRO HB3 H 1 1.569 0.050 . 1 . . . . . 58 PRO HB . 27573 1 397 . 1 1 71 71 MET H H 1 8.624 0.050 . 1 . . . . . 59 MET H . 27573 1 398 . 1 1 71 71 MET HA H 1 4.423 0.050 . 1 . . . . . 59 MET HA . 27573 1 399 . 1 1 71 71 MET HB2 H 1 2.061 0.050 . 1 . . . . . 59 MET HB . 27573 1 400 . 1 1 71 71 MET HB3 H 1 2.061 0.050 . 1 . . . . . 59 MET HB . 27573 1 401 . 1 1 71 71 MET HG2 H 1 2.649 0.050 . 1 . . . . . 59 MET HG . 27573 1 402 . 1 1 71 71 MET HG3 H 1 2.649 0.050 . 1 . . . . . 59 MET HG . 27573 1 403 . 1 1 71 71 MET HE1 H 1 1.493 0.050 . 1 . . . . . 59 MET HE . 27573 1 404 . 1 1 71 71 MET HE2 H 1 1.493 0.050 . 1 . . . . . 59 MET HE . 27573 1 405 . 1 1 71 71 MET HE3 H 1 1.493 0.050 . 1 . . . . . 59 MET HE . 27573 1 406 . 1 1 71 71 MET CA C 13 55.635 0.500 . 1 . . . . . 59 MET CA . 27573 1 407 . 1 1 71 71 MET CB C 13 29.853 0.500 . 1 . . . . . 59 MET CB . 27573 1 408 . 1 1 71 71 MET N N 15 124.692 0.500 . 1 . . . . . 59 MET N . 27573 1 409 . 1 1 72 72 ASN H H 1 8.419 0.050 . 1 . . . . . 60 ASN H . 27573 1 410 . 1 1 72 72 ASN HA H 1 4.480 0.050 . 1 . . . . . 60 ASN HA . 27573 1 411 . 1 1 72 72 ASN HB2 H 1 2.851 0.050 . 1 . . . . . 60 ASN HB . 27573 1 412 . 1 1 72 72 ASN HB3 H 1 2.851 0.050 . 1 . . . . . 60 ASN HB . 27573 1 413 . 1 1 72 72 ASN N N 15 113.547 0.500 . 1 . . . . . 60 ASN N . 27573 1 414 . 1 1 73 73 SER H H 1 7.728 0.050 . 1 . . . . . 61 SER H . 27573 1 415 . 1 1 73 73 SER HA H 1 4.443 0.050 . 1 . . . . . 61 SER HA . 27573 1 416 . 1 1 73 73 SER HB2 H 1 4.032 0.050 . 1 . . . . . 61 SER HB1 . 27573 1 417 . 1 1 73 73 SER HB3 H 1 3.714 0.050 . 1 . . . . . 61 SER HB2 . 27573 1 418 . 1 1 73 73 SER CA C 13 62.084 0.500 . 1 . . . . . 61 SER CA . 27573 1 419 . 1 1 73 73 SER CB C 13 65.977 0.500 . 1 . . . . . 61 SER CB . 27573 1 420 . 1 1 73 73 SER N N 15 112.225 0.500 . 1 . . . . . 61 SER N . 27573 1 421 . 1 1 74 74 LEU H H 1 7.226 0.050 . 1 . . . . . 62 LEU H . 27573 1 422 . 1 1 74 74 LEU HG H 1 1.435 0.050 . 1 . . . . . 62 LEU HG . 27573 1 423 . 1 1 74 74 LEU HD11 H 1 0.753 0.050 . 1 . . . . . 62 LEU HD# . 27573 1 424 . 1 1 74 74 LEU HD12 H 1 0.753 0.050 . 1 . . . . . 62 LEU HD# . 27573 1 425 . 1 1 74 74 LEU HD13 H 1 0.753 0.050 . 1 . . . . . 62 LEU HD# . 27573 1 426 . 1 1 74 74 LEU HD21 H 1 0.753 0.050 . 1 . . . . . 62 LEU HD# . 27573 1 427 . 1 1 74 74 LEU HD22 H 1 0.753 0.050 . 1 . . . . . 62 LEU HD# . 27573 1 428 . 1 1 74 74 LEU HD23 H 1 0.753 0.050 . 1 . . . . . 62 LEU HD# . 27573 1 429 . 1 1 74 74 LEU CA C 13 51.820 0.500 . 1 . . . . . 62 LEU CA . 27573 1 430 . 1 1 74 74 LEU CB C 13 41.920 0.500 . 1 . . . . . 62 LEU CB . 27573 1 431 . 1 1 74 74 LEU CG C 13 22.810 0.500 . 1 . . . . . 62 LEU CG . 27573 1 432 . 1 1 74 74 LEU N N 15 121.177 0.500 . 1 . . . . . 62 LEU N . 27573 1 433 . 1 1 75 75 ARG H H 1 9.013 0.050 . 1 . . . . . 63 ARG H . 27573 1 434 . 1 1 75 75 ARG HA H 1 4.457 0.050 . 1 . . . . . 63 ARG HA . 27573 1 435 . 1 1 75 75 ARG HB2 H 1 1.452 0.050 . 1 . . . . . 63 ARG HB . 27573 1 436 . 1 1 75 75 ARG HB3 H 1 1.452 0.050 . 1 . . . . . 63 ARG HB . 27573 1 437 . 1 1 75 75 ARG CA C 13 51.646 0.500 . 1 . . . . . 63 ARG CA . 27573 1 438 . 1 1 75 75 ARG CB C 13 30.130 0.500 . 1 . . . . . 63 ARG CB . 27573 1 439 . 1 1 75 75 ARG CG C 13 24.285 0.500 . 1 . . . . . 63 ARG CG . 27573 1 440 . 1 1 75 75 ARG N N 15 122.946 0.500 . 1 . . . . . 63 ARG N . 27573 1 441 . 1 1 76 76 LEU H H 1 8.582 0.050 . 1 . . . . . 64 LEU H . 27573 1 442 . 1 1 76 76 LEU HA H 1 5.076 0.050 . 1 . . . . . 64 LEU HA . 27573 1 443 . 1 1 76 76 LEU HB2 H 1 1.461 0.050 . 1 . . . . . 64 LEU HB . 27573 1 444 . 1 1 76 76 LEU HB3 H 1 1.461 0.050 . 1 . . . . . 64 LEU HB . 27573 1 445 . 1 1 76 76 LEU HG H 1 1.168 0.050 . 1 . . . . . 64 LEU HG . 27573 1 446 . 1 1 76 76 LEU HD11 H 1 0.510 0.050 . 1 . . . . . 64 LEU HD . 27573 1 447 . 1 1 76 76 LEU HD12 H 1 0.510 0.050 . 1 . . . . . 64 LEU HD . 27573 1 448 . 1 1 76 76 LEU HD13 H 1 0.510 0.050 . 1 . . . . . 64 LEU HD . 27573 1 449 . 1 1 76 76 LEU HD21 H 1 0.510 0.050 . 1 . . . . . 64 LEU HD . 27573 1 450 . 1 1 76 76 LEU HD22 H 1 0.510 0.050 . 1 . . . . . 64 LEU HD . 27573 1 451 . 1 1 76 76 LEU HD23 H 1 0.510 0.050 . 1 . . . . . 64 LEU HD . 27573 1 452 . 1 1 76 76 LEU CA C 13 50.991 0.500 . 1 . . . . . 64 LEU CA . 27573 1 453 . 1 1 76 76 LEU CB C 13 41.427 0.500 . 1 . . . . . 64 LEU CB . 27573 1 454 . 1 1 76 76 LEU CG C 13 25.019 0.500 . 1 . . . . . 64 LEU CG . 27573 1 455 . 1 1 76 76 LEU CD1 C 13 22.933 0.500 . 1 . . . . . 64 LEU CD . 27573 1 456 . 1 1 76 76 LEU CD2 C 13 22.933 0.500 . 1 . . . . . 64 LEU CD . 27573 1 457 . 1 1 76 76 LEU N N 15 122.249 0.500 . 1 . . . . . 64 LEU N . 27573 1 458 . 1 1 77 77 LEU H H 1 9.330 0.050 . 1 . . . . . 65 LEU H . 27573 1 459 . 1 1 77 77 LEU HA H 1 5.107 0.050 . 1 . . . . . 65 LEU HA . 27573 1 460 . 1 1 77 77 LEU HB2 H 1 1.624 0.050 . 1 . . . . . 65 LEU HB . 27573 1 461 . 1 1 77 77 LEU HB3 H 1 1.624 0.050 . 1 . . . . . 65 LEU HB . 27573 1 462 . 1 1 77 77 LEU HG H 1 1.197 0.050 . 1 . . . . . 65 LEU HG . 27573 1 463 . 1 1 77 77 LEU HD11 H 1 0.548 0.050 . 1 . . . . . 65 LEU HD . 27573 1 464 . 1 1 77 77 LEU HD12 H 1 0.548 0.050 . 1 . . . . . 65 LEU HD . 27573 1 465 . 1 1 77 77 LEU HD13 H 1 0.548 0.050 . 1 . . . . . 65 LEU HD . 27573 1 466 . 1 1 77 77 LEU HD21 H 1 0.548 0.050 . 1 . . . . . 65 LEU HD . 27573 1 467 . 1 1 77 77 LEU HD22 H 1 0.548 0.050 . 1 . . . . . 65 LEU HD . 27573 1 468 . 1 1 77 77 LEU HD23 H 1 0.548 0.050 . 1 . . . . . 65 LEU HD . 27573 1 469 . 1 1 77 77 LEU CA C 13 51.176 0.500 . 1 . . . . . 65 LEU CA . 27573 1 470 . 1 1 77 77 LEU CB C 13 43.672 0.500 . 1 . . . . . 65 LEU CB . 27573 1 471 . 1 1 77 77 LEU CG C 13 25.062 0.500 . 1 . . . . . 65 LEU CG . 27573 1 472 . 1 1 77 77 LEU CD1 C 13 21.587 0.500 . 1 . . . . . 65 LEU CD . 27573 1 473 . 1 1 77 77 LEU CD2 C 13 21.587 0.500 . 1 . . . . . 65 LEU CD . 27573 1 474 . 1 1 77 77 LEU N N 15 122.888 0.500 . 1 . . . . . 65 LEU N . 27573 1 475 . 1 1 78 78 PHE H H 1 8.930 0.050 . 1 . . . . . 66 PHE H . 27573 1 476 . 1 1 78 78 PHE HA H 1 5.144 0.050 . 1 . . . . . 66 PHE HA . 27573 1 477 . 1 1 78 78 PHE HB2 H 1 2.842 0.050 . 1 . . . . . 66 PHE HB1 . 27573 1 478 . 1 1 78 78 PHE HB3 H 1 2.622 0.050 . 1 . . . . . 66 PHE HB2 . 27573 1 479 . 1 1 78 78 PHE CA C 13 53.542 0.500 . 1 . . . . . 66 PHE CA . 27573 1 480 . 1 1 78 78 PHE CB C 13 39.167 0.500 . 1 . . . . . 66 PHE CB . 27573 1 481 . 1 1 78 78 PHE N N 15 119.747 0.500 . 1 . . . . . 66 PHE N . 27573 1 482 . 1 1 79 79 GLU H H 1 9.402 0.050 . 1 . . . . . 67 GLU H . 27573 1 483 . 1 1 79 79 GLU HA H 1 3.461 0.050 . 1 . . . . . 67 GLU HA . 27573 1 484 . 1 1 79 79 GLU HB2 H 1 1.913 0.050 . 1 . . . . . 67 GLU HB . 27573 1 485 . 1 1 79 79 GLU HB3 H 1 1.913 0.050 . 1 . . . . . 67 GLU HB . 27573 1 486 . 1 1 79 79 GLU HG2 H 1 1.724 0.050 . 1 . . . . . 67 GLU HG . 27573 1 487 . 1 1 79 79 GLU HG3 H 1 1.724 0.050 . 1 . . . . . 67 GLU HG . 27573 1 488 . 1 1 79 79 GLU CA C 13 54.108 0.500 . 1 . . . . . 67 GLU CA . 27573 1 489 . 1 1 79 79 GLU CB C 13 24.403 0.500 . 1 . . . . . 67 GLU CB . 27573 1 490 . 1 1 79 79 GLU CG C 13 32.827 0.500 . 1 . . . . . 67 GLU CG . 27573 1 491 . 1 1 79 79 GLU N N 15 129.029 0.500 . 1 . . . . . 67 GLU N . 27573 1 492 . 1 1 80 80 GLY H H 1 8.875 0.050 . 1 . . . . . 68 GLY H . 27573 1 493 . 1 1 80 80 GLY HA2 H 1 3.373 0.050 . 1 . . . . . 68 GLY HA2 . 27573 1 494 . 1 1 80 80 GLY HA3 H 1 3.373 0.050 . 1 . . . . . 68 GLY HA3 . 27573 1 495 . 1 1 80 80 GLY CA C 13 42.875 0.500 . 1 . . . . . 68 GLY CA . 27573 1 496 . 1 1 80 80 GLY N N 15 103.501 0.500 . 1 . . . . . 68 GLY N . 27573 1 497 . 1 1 81 81 GLN H H 1 7.962 0.050 . 1 . . . . . 69 GLN H . 27573 1 498 . 1 1 81 81 GLN HA H 1 4.478 0.050 . 1 . . . . . 69 GLN HA . 27573 1 499 . 1 1 81 81 GLN HB2 H 1 2.041 0.050 . 1 . . . . . 69 GLN HB . 27573 1 500 . 1 1 81 81 GLN HB3 H 1 2.041 0.050 . 1 . . . . . 69 GLN HB . 27573 1 501 . 1 1 81 81 GLN HG2 H 1 2.222 0.050 . 1 . . . . . 69 GLN HG . 27573 1 502 . 1 1 81 81 GLN HG3 H 1 2.222 0.050 . 1 . . . . . 69 GLN HG . 27573 1 503 . 1 1 81 81 GLN CA C 13 51.143 0.500 . 1 . . . . . 69 GLN CA . 27573 1 504 . 1 1 81 81 GLN CB C 13 28.264 0.500 . 1 . . . . . 69 GLN CB . 27573 1 505 . 1 1 81 81 GLN CG C 13 30.891 0.500 . 1 . . . . . 69 GLN CG . 27573 1 506 . 1 1 81 81 GLN N N 15 120.228 0.500 . 1 . . . . . 69 GLN N . 27573 1 507 . 1 1 82 82 ARG H H 1 8.732 0.050 . 1 . . . . . 70 ARG H . 27573 1 508 . 1 1 82 82 ARG HA H 1 4.298 0.050 . 1 . . . . . 70 ARG HA . 27573 1 509 . 1 1 82 82 ARG HB2 H 1 1.654 0.050 . 1 . . . . . 70 ARG HB . 27573 1 510 . 1 1 82 82 ARG HB3 H 1 1.654 0.050 . 1 . . . . . 70 ARG HB . 27573 1 511 . 1 1 82 82 ARG HG2 H 1 1.425 0.050 . 1 . . . . . 70 ARG HG . 27573 1 512 . 1 1 82 82 ARG HG3 H 1 1.425 0.050 . 1 . . . . . 70 ARG HG . 27573 1 513 . 1 1 82 82 ARG HD2 H 1 3.033 0.050 . 1 . . . . . 70 ARG HD . 27573 1 514 . 1 1 82 82 ARG HD3 H 1 3.033 0.050 . 1 . . . . . 70 ARG HD . 27573 1 515 . 1 1 82 82 ARG CA C 13 54.446 0.500 . 1 . . . . . 70 ARG CA . 27573 1 516 . 1 1 82 82 ARG CB C 13 27.619 0.500 . 1 . . . . . 70 ARG CB . 27573 1 517 . 1 1 82 82 ARG CG C 13 24.980 0.500 . 1 . . . . . 70 ARG CG . 27573 1 518 . 1 1 82 82 ARG CD C 13 40.823 0.500 . 1 . . . . . 70 ARG CD . 27573 1 519 . 1 1 82 82 ARG N N 15 124.143 0.500 . 1 . . . . . 70 ARG N . 27573 1 520 . 1 1 83 83 ILE H H 1 8.520 0.050 . 1 . . . . . 71 ILE H . 27573 1 521 . 1 1 83 83 ILE HA H 1 4.356 0.050 . 1 . . . . . 71 ILE HA . 27573 1 522 . 1 1 83 83 ILE HB H 1 1.605 0.050 . 1 . . . . . 71 ILE HB . 27573 1 523 . 1 1 83 83 ILE HG21 H 1 0.980 0.050 . 1 . . . . . 71 ILE HG2# . 27573 1 524 . 1 1 83 83 ILE HG22 H 1 0.980 0.050 . 1 . . . . . 71 ILE HG2# . 27573 1 525 . 1 1 83 83 ILE HG23 H 1 0.980 0.050 . 1 . . . . . 71 ILE HG2# . 27573 1 526 . 1 1 83 83 ILE HD11 H 1 0.820 0.050 . 1 . . . . . 71 ILE HD . 27573 1 527 . 1 1 83 83 ILE HD12 H 1 0.820 0.050 . 1 . . . . . 71 ILE HD . 27573 1 528 . 1 1 83 83 ILE HD13 H 1 0.820 0.050 . 1 . . . . . 71 ILE HD . 27573 1 529 . 1 1 83 83 ILE CA C 13 58.711 0.500 . 1 . . . . . 71 ILE CA . 27573 1 530 . 1 1 83 83 ILE CB C 13 36.267 0.500 . 1 . . . . . 71 ILE CB . 27573 1 531 . 1 1 83 83 ILE CG1 C 13 24.921 0.500 . 1 . . . . . 71 ILE CG1 . 27573 1 532 . 1 1 83 83 ILE CD1 C 13 16.312 0.500 . 1 . . . . . 71 ILE CD . 27573 1 533 . 1 1 83 83 ILE N N 15 126.404 0.500 . 1 . . . . . 71 ILE N . 27573 1 534 . 1 1 84 84 ALA H H 1 10.5008 0.050 . 1 . . . . . 72 ALA H . 27573 1 535 . 1 1 84 84 ALA HA H 1 4.255 0.050 . 1 . . . . . 72 ALA HA . 27573 1 536 . 1 1 84 84 ALA HB1 H 1 0.758 0.050 . 1 . . . . . 72 ALA HB . 27573 1 537 . 1 1 84 84 ALA HB2 H 1 0.758 0.050 . 1 . . . . . 72 ALA HB . 27573 1 538 . 1 1 84 84 ALA HB3 H 1 0.758 0.050 . 1 . . . . . 72 ALA HB . 27573 1 539 . 1 1 84 84 ALA CA C 13 53.525 0.500 . 1 . . . . . 72 ALA CA . 27573 1 540 . 1 1 84 84 ALA CB C 13 16.115 0.500 . 1 . . . . . 72 ALA CB . 27573 1 541 . 1 1 84 84 ALA N N 15 104.649 0.500 . 1 . . . . . 72 ALA N . 27573 1 542 . 1 1 85 85 ASP H H 1 8.589 0.050 . 1 . . . . . 73 ASP H . 27573 1 543 . 1 1 85 85 ASP HA H 1 3.997 0.050 . 1 . . . . . 73 ASP HA . 27573 1 544 . 1 1 85 85 ASP HB2 H 1 2.465 0.050 . 1 . . . . . 73 ASP HB . 27573 1 545 . 1 1 85 85 ASP HB3 H 1 2.465 0.050 . 1 . . . . . 73 ASP HB . 27573 1 546 . 1 1 85 85 ASP CA C 13 54.498 0.500 . 1 . . . . . 73 ASP CA . 27573 1 547 . 1 1 85 85 ASP CB C 13 37.813 0.500 . 1 . . . . . 73 ASP CB . 27573 1 548 . 1 1 85 85 ASP N N 15 120.034 0.500 . 1 . . . . . 73 ASP N . 27573 1 549 . 1 1 86 86 ASN H H 1 7.719 0.050 . 1 . . . . . 74 ASN H . 27573 1 550 . 1 1 86 86 ASN HA H 1 4.268 0.050 . 1 . . . . . 74 ASN HA . 27573 1 551 . 1 1 86 86 ASN HB2 H 1 2.593 0.050 . 1 . . . . . 74 ASN HB . 27573 1 552 . 1 1 86 86 ASN HB3 H 1 2.593 0.050 . 1 . . . . . 74 ASN HB . 27573 1 553 . 1 1 86 86 ASN CA C 13 49.091 0.500 . 1 . . . . . 74 ASN CA . 27573 1 554 . 1 1 86 86 ASN CB C 13 34.741 0.500 . 1 . . . . . 74 ASN CB . 27573 1 555 . 1 1 86 86 ASN N N 15 109.446 0.500 . 1 . . . . . 74 ASN N . 27573 1 556 . 1 1 87 87 HIS H H 1 7.377 0.050 . 1 . . . . . 75 HIS H . 27573 1 557 . 1 1 87 87 HIS HA H 1 4.862 0.050 . 1 . . . . . 75 HIS HA . 27573 1 558 . 1 1 87 87 HIS HB2 H 1 3.316 0.050 . 1 . . . . . 75 HIS HB1 . 27573 1 559 . 1 1 87 87 HIS HB3 H 1 2.794 0.050 . 1 . . . . . 75 HIS HB2 . 27573 1 560 . 1 1 87 87 HIS HD2 H 1 6.808 0.050 . 1 . . . . . 75 HIS HD2 . 27573 1 561 . 1 1 87 87 HIS HE1 H 1 7.875 0.050 . 1 . . . . . 75 HIS HE1 . 27573 1 562 . 1 1 87 87 HIS CA C 13 53.971 0.050 . 1 . . . . . 75 HIS CA . 27573 1 563 . 1 1 87 87 HIS CB C 13 30.867 0.050 . 1 . . . . . 75 HIS CB . 27573 1 564 . 1 1 87 87 HIS CD2 C 13 116.788 0.050 . 1 . . . . . 75 HIS CD2 . 27573 1 565 . 1 1 87 87 HIS CE1 C 13 136.760 0.050 . 1 . . . . . 75 HIS CE1 . 27573 1 566 . 1 1 87 87 HIS N N 15 120.010 0.500 . 1 . . . . . 75 HIS N . 27573 1 567 . 1 1 88 88 THR H H 1 7.343 0.050 . 1 . . . . . 76 THR H . 27573 1 568 . 1 1 88 88 THR HG21 H 1 0.655 0.050 . 1 . . . . . 76 THR HG2# . 27573 1 569 . 1 1 88 88 THR HG22 H 1 0.655 0.050 . 1 . . . . . 76 THR HG2# . 27573 1 570 . 1 1 88 88 THR HG23 H 1 0.655 0.050 . 1 . . . . . 76 THR HG2# . 27573 1 571 . 1 1 88 88 THR N N 15 108.144 0.500 . 1 . . . . . 76 THR N . 27573 1 572 . 1 1 89 89 PRO HA H 1 4.131 0.050 . 1 . . . . . 77 PRO HA . 27573 1 573 . 1 1 89 89 PRO HB2 H 1 2.063 0.050 . 1 . . . . . 77 PRO HB . 27573 1 574 . 1 1 89 89 PRO HB3 H 1 2.063 0.050 . 1 . . . . . 77 PRO HB . 27573 1 575 . 1 1 90 90 LYS H H 1 8.038 0.050 . 1 . . . . . 78 LYS H . 27573 1 576 . 1 1 90 90 LYS HA H 1 3.908 0.050 . 1 . . . . . 78 LYS HA . 27573 1 577 . 1 1 90 90 LYS HB2 H 1 2.146 0.050 . 1 . . . . . 78 LYS HB . 27573 1 578 . 1 1 90 90 LYS HB3 H 1 2.146 0.050 . 1 . . . . . 78 LYS HB . 27573 1 579 . 1 1 90 90 LYS HG2 H 1 1.581 0.050 . 1 . . . . . 78 LYS HG . 27573 1 580 . 1 1 90 90 LYS HG3 H 1 1.581 0.050 . 1 . . . . . 78 LYS HG . 27573 1 581 . 1 1 90 90 LYS HD2 H 1 1.353 0.050 . 1 . . . . . 78 LYS HD . 27573 1 582 . 1 1 90 90 LYS HD3 H 1 1.353 0.050 . 1 . . . . . 78 LYS HD . 27573 1 583 . 1 1 90 90 LYS N N 15 115.229 0.500 . 1 . . . . . 78 LYS N . 27573 1 584 . 1 1 91 91 GLU H H 1 7.944 0.050 . 1 . . . . . 79 GLU H . 27573 1 585 . 1 1 91 91 GLU HA H 1 3.887 0.050 . 1 . . . . . 79 GLU HA . 27573 1 586 . 1 1 91 91 GLU HB2 H 1 1.986 0.050 . 1 . . . . . 79 GLU HB . 27573 1 587 . 1 1 91 91 GLU HB3 H 1 1.986 0.050 . 1 . . . . . 79 GLU HB . 27573 1 588 . 1 1 91 91 GLU HG2 H 1 2.159 0.050 . 1 . . . . . 79 GLU HG . 27573 1 589 . 1 1 91 91 GLU HG3 H 1 2.159 0.050 . 1 . . . . . 79 GLU HG . 27573 1 590 . 1 1 91 91 GLU CA C 13 56.153 0.050 . 1 . . . . . 79 GLU CA . 27573 1 591 . 1 1 91 91 GLU CB C 13 27.604 0.050 . 1 . . . . . 79 GLU CB . 27573 1 592 . 1 1 91 91 GLU CG C 13 33.687 0.050 . 1 . . . . . 79 GLU CG . 27573 1 593 . 1 1 91 91 GLU N N 15 120.472 0.500 . 1 . . . . . 79 GLU N . 27573 1 594 . 1 1 92 92 LEU H H 1 7.442 0.050 . 1 . . . . . 80 LEU H . 27573 1 595 . 1 1 92 92 LEU HA H 1 4.149 0.050 . 1 . . . . . 80 LEU HA . 27573 1 596 . 1 1 92 92 LEU HB2 H 1 1.373 0.050 . 1 . . . . . 80 LEU HB . 27573 1 597 . 1 1 92 92 LEU HB3 H 1 1.373 0.050 . 1 . . . . . 80 LEU HB . 27573 1 598 . 1 1 92 92 LEU HD11 H 1 0.387 0.050 . 1 . . . . . 80 LEU HD . 27573 1 599 . 1 1 92 92 LEU HD12 H 1 0.387 0.050 . 1 . . . . . 80 LEU HD . 27573 1 600 . 1 1 92 92 LEU HD13 H 1 0.387 0.050 . 1 . . . . . 80 LEU HD . 27573 1 601 . 1 1 92 92 LEU HD21 H 1 0.387 0.050 . 1 . . . . . 80 LEU HD . 27573 1 602 . 1 1 92 92 LEU HD22 H 1 0.387 0.050 . 1 . . . . . 80 LEU HD . 27573 1 603 . 1 1 92 92 LEU HD23 H 1 0.387 0.050 . 1 . . . . . 80 LEU HD . 27573 1 604 . 1 1 92 92 LEU N N 15 115.290 0.500 . 1 . . . . . 80 LEU N . 27573 1 605 . 1 1 93 93 GLY H H 1 7.645 0.050 . 1 . . . . . 81 GLY H . 27573 1 606 . 1 1 93 93 GLY HA2 H 1 3.815 0.050 . 1 . . . . . 81 GLY HA . 27573 1 607 . 1 1 93 93 GLY HA3 H 1 3.815 0.050 . 1 . . . . . 81 GLY HA . 27573 1 608 . 1 1 93 93 GLY CA C 13 43.987 0.500 . 1 . . . . . 81 GLY CA . 27573 1 609 . 1 1 93 93 GLY N N 15 107.883 0.500 . 1 . . . . . 81 GLY N . 27573 1 610 . 1 1 94 94 MET H H 1 7.615 0.050 . 1 . . . . . 82 MET H . 27573 1 611 . 1 1 94 94 MET HA H 1 4.106 0.050 . 1 . . . . . 82 MET HA . 27573 1 612 . 1 1 94 94 MET HB2 H 1 1.644 0.050 . 1 . . . . . 82 MET HB . 27573 1 613 . 1 1 94 94 MET HB3 H 1 1.644 0.050 . 1 . . . . . 82 MET HB . 27573 1 614 . 1 1 94 94 MET HG2 H 1 1.855 0.050 . 1 . . . . . 82 MET HG . 27573 1 615 . 1 1 94 94 MET HG3 H 1 1.855 0.050 . 1 . . . . . 82 MET HG . 27573 1 616 . 1 1 94 94 MET HE1 H 1 1.191 0.050 . 1 . . . . . 82 MET HE . 27573 1 617 . 1 1 94 94 MET HE2 H 1 1.191 0.050 . 1 . . . . . 82 MET HE . 27573 1 618 . 1 1 94 94 MET HE3 H 1 1.191 0.050 . 1 . . . . . 82 MET HE . 27573 1 619 . 1 1 94 94 MET CA C 13 54.358 0.500 . 1 . . . . . 82 MET CA . 27573 1 620 . 1 1 94 94 MET CB C 13 30.999 0.500 . 1 . . . . . 82 MET CB . 27573 1 621 . 1 1 94 94 MET N N 15 117.496 0.500 . 1 . . . . . 82 MET N . 27573 1 622 . 1 1 95 95 GLU H H 1 9.301 0.050 . 1 . . . . . 83 GLU H . 27573 1 623 . 1 1 95 95 GLU HA H 1 4.246 0.050 . 1 . . . . . 83 GLU HA . 27573 1 624 . 1 1 95 95 GLU HB2 H 1 1.856 0.050 . 1 . . . . . 83 GLU HB . 27573 1 625 . 1 1 95 95 GLU HB3 H 1 1.856 0.050 . 1 . . . . . 83 GLU HB . 27573 1 626 . 1 1 95 95 GLU HG2 H 1 2.069 0.050 . 1 . . . . . 83 GLU HG . 27573 1 627 . 1 1 95 95 GLU HG3 H 1 2.069 0.050 . 1 . . . . . 83 GLU HG . 27573 1 628 . 1 1 95 95 GLU CA C 13 54.074 0.500 . 1 . . . . . 83 GLU CA . 27573 1 629 . 1 1 95 95 GLU CB C 13 28.290 0.500 . 1 . . . . . 83 GLU CB . 27573 1 630 . 1 1 95 95 GLU CG C 13 33.799 0.500 . 1 . . . . . 83 GLU CG . 27573 1 631 . 1 1 95 95 GLU N N 15 120.942 0.500 . 1 . . . . . 83 GLU N . 27573 1 632 . 1 1 96 96 GLU H H 1 8.330 0.050 . 1 . . . . . 84 GLU H . 27573 1 633 . 1 1 96 96 GLU HA H 1 4.119 0.050 . 1 . . . . . 84 GLU HA . 27573 1 634 . 1 1 96 96 GLU HB2 H 1 1.938 0.050 . 1 . . . . . 84 GLU HB . 27573 1 635 . 1 1 96 96 GLU HB3 H 1 1.938 0.050 . 1 . . . . . 84 GLU HB . 27573 1 636 . 1 1 96 96 GLU HG2 H 1 2.310 0.050 . 1 . . . . . 84 GLU HG . 27573 1 637 . 1 1 96 96 GLU HG3 H 1 2.310 0.050 . 1 . . . . . 84 GLU HG . 27573 1 638 . 1 1 96 96 GLU CA C 13 55.891 0.500 . 1 . . . . . 84 GLU CA . 27573 1 639 . 1 1 96 96 GLU CB C 13 27.177 0.500 . 1 . . . . . 84 GLU CB . 27573 1 640 . 1 1 96 96 GLU CG C 13 32.480 0.500 . 1 . . . . . 84 GLU CG . 27573 1 641 . 1 1 96 96 GLU N N 15 119.059 0.500 . 1 . . . . . 84 GLU N . 27573 1 642 . 1 1 97 97 GLU H H 1 9.331 0.050 . 1 . . . . . 85 GLU H . 27573 1 643 . 1 1 97 97 GLU HA H 1 3.567 0.050 . 1 . . . . . 85 GLU HA . 27573 1 644 . 1 1 97 97 GLU HB2 H 1 2.262 0.050 . 1 . . . . . 85 GLU HB . 27573 1 645 . 1 1 97 97 GLU HB3 H 1 2.262 0.050 . 1 . . . . . 85 GLU HB . 27573 1 646 . 1 1 97 97 GLU CA C 13 56.264 0.500 . 1 . . . . . 85 GLU CA . 27573 1 647 . 1 1 97 97 GLU CB C 13 27.203 0.500 . 1 . . . . . 85 GLU CB . 27573 1 648 . 1 1 97 97 GLU CG C 13 34.784 0.500 . 1 . . . . . 85 GLU CG . 27573 1 649 . 1 1 97 97 GLU N N 15 118.479 0.500 . 1 . . . . . 85 GLU N . 27573 1 650 . 1 1 98 98 ASP H H 1 8.147 0.050 . 1 . . . . . 86 ASP H . 27573 1 651 . 1 1 98 98 ASP HA H 1 4.361 0.050 . 1 . . . . . 86 ASP HA . 27573 1 652 . 1 1 98 98 ASP HB2 H 1 2.585 0.050 . 1 . . . . . 86 ASP HB . 27573 1 653 . 1 1 98 98 ASP HB3 H 1 2.585 0.050 . 1 . . . . . 86 ASP HB . 27573 1 654 . 1 1 98 98 ASP CA C 13 53.111 0.500 . 1 . . . . . 86 ASP CA . 27573 1 655 . 1 1 98 98 ASP CB C 13 39.580 0.500 . 1 . . . . . 86 ASP CB . 27573 1 656 . 1 1 98 98 ASP N N 15 120.248 0.500 . 1 . . . . . 86 ASP N . 27573 1 657 . 1 1 99 99 VAL H H 1 8.175 0.050 . 1 . . . . . 87 VAL H . 27573 1 658 . 1 1 99 99 VAL HA H 1 4.921 0.050 . 1 . . . . . 87 VAL HA . 27573 1 659 . 1 1 99 99 VAL HB H 1 1.918 0.050 . 1 . . . . . 87 VAL HB . 27573 1 660 . 1 1 99 99 VAL HG11 H 1 0.919 0.050 . 1 . . . . . 87 VAL HG1 . 27573 1 661 . 1 1 99 99 VAL HG12 H 1 0.919 0.050 . 1 . . . . . 87 VAL HG1 . 27573 1 662 . 1 1 99 99 VAL HG13 H 1 0.919 0.050 . 1 . . . . . 87 VAL HG1 . 27573 1 663 . 1 1 99 99 VAL CA C 13 58.587 0.500 . 1 . . . . . 87 VAL CA . 27573 1 664 . 1 1 99 99 VAL CB C 13 32.031 0.500 . 1 . . . . . 87 VAL CB . 27573 1 665 . 1 1 99 99 VAL CG1 C 13 19.276 0.500 . 1 . . . . . 87 VAL CG1 . 27573 1 666 . 1 1 99 99 VAL N N 15 116.737 0.500 . 1 . . . . . 87 VAL N . 27573 1 667 . 1 1 100 100 ILE H H 1 9.137 0.050 . 1 . . . . . 88 ILE H . 27573 1 668 . 1 1 100 100 ILE HA H 1 4.689 0.050 . 1 . . . . . 88 ILE HA . 27573 1 669 . 1 1 100 100 ILE HB H 1 1.618 0.050 . 1 . . . . . 88 ILE HB . 27573 1 670 . 1 1 100 100 ILE HG21 H 1 0.710 0.050 . 1 . . . . . 88 ILE HG2 . 27573 1 671 . 1 1 100 100 ILE HG22 H 1 0.710 0.050 . 1 . . . . . 88 ILE HG2 . 27573 1 672 . 1 1 100 100 ILE HG23 H 1 0.710 0.050 . 1 . . . . . 88 ILE HG2 . 27573 1 673 . 1 1 100 100 ILE CA C 13 56.504 0.500 . 1 . . . . . 88 ILE CA . 27573 1 674 . 1 1 100 100 ILE CB C 13 38.050 0.500 . 1 . . . . . 88 ILE CB . 27573 1 675 . 1 1 100 100 ILE CG1 C 13 25.473 0.500 . 1 . . . . . 88 ILE CG1 . 27573 1 676 . 1 1 100 100 ILE CD1 C 13 16.112 0.500 . 1 . . . . . 88 ILE CD . 27573 1 677 . 1 1 100 100 ILE N N 15 127.426 0.500 . 1 . . . . . 88 ILE N . 27573 1 678 . 1 1 101 101 GLU H H 1 8.794 0.050 . 1 . . . . . 89 GLU H . 27573 1 679 . 1 1 101 101 GLU HA H 1 4.909 0.050 . 1 . . . . . 89 GLU HA . 27573 1 680 . 1 1 101 101 GLU HB2 H 1 1.950 0.050 . 1 . . . . . 89 GLU HB . 27573 1 681 . 1 1 101 101 GLU HB3 H 1 1.950 0.050 . 1 . . . . . 89 GLU HB . 27573 1 682 . 1 1 101 101 GLU CA C 13 52.361 0.500 . 1 . . . . . 89 GLU CA . 27573 1 683 . 1 1 101 101 GLU CB C 13 30.494 0.500 . 1 . . . . . 89 GLU CB . 27573 1 684 . 1 1 101 101 GLU CG C 13 34.353 0.500 . 1 . . . . . 89 GLU CG . 27573 1 685 . 1 1 101 101 GLU N N 15 125.289 0.500 . 1 . . . . . 89 GLU N . 27573 1 686 . 1 1 102 102 VAL H H 1 8.041 0.050 . 1 . . . . . 90 VAL H . 27573 1 687 . 1 1 102 102 VAL HA H 1 4.687 0.050 . 1 . . . . . 90 VAL HA . 27573 1 688 . 1 1 102 102 VAL HB H 1 1.640 0.050 . 1 . . . . . 90 VAL HB . 27573 1 689 . 1 1 102 102 VAL HG11 H 1 0.689 0.050 . 1 . . . . . 90 VAL HG1 . 27573 1 690 . 1 1 102 102 VAL HG12 H 1 0.689 0.050 . 1 . . . . . 90 VAL HG1 . 27573 1 691 . 1 1 102 102 VAL HG13 H 1 0.689 0.050 . 1 . . . . . 90 VAL HG1 . 27573 1 692 . 1 1 102 102 VAL CA C 13 58.029 0.500 . 1 . . . . . 90 VAL CA . 27573 1 693 . 1 1 102 102 VAL CB C 13 31.265 0.500 . 1 . . . . . 90 VAL CB . 27573 1 694 . 1 1 102 102 VAL CG1 C 13 18.886 0.500 . 1 . . . . . 90 VAL CG1 . 27573 1 695 . 1 1 102 102 VAL N N 15 119.563 0.500 . 1 . . . . . 90 VAL N . 27573 1 696 . 1 1 103 103 TYR H H 1 8.837 0.050 . 1 . . . . . 91 TYR H . 27573 1 697 . 1 1 103 103 TYR HA H 1 4.602 0.050 . 1 . . . . . 91 TYR HA . 27573 1 698 . 1 1 103 103 TYR HB2 H 1 2.847 0.050 . 1 . . . . . 91 TYR HB . 27573 1 699 . 1 1 103 103 TYR HB3 H 1 2.847 0.050 . 1 . . . . . 91 TYR HB . 27573 1 700 . 1 1 103 103 TYR HD1 H 1 6.916 0.050 . 1 . . . . . 91 TYR HD# . 27573 1 701 . 1 1 103 103 TYR HD2 H 1 6.916 0.050 . 1 . . . . . 91 TYR HD# . 27573 1 702 . 1 1 103 103 TYR HE1 H 1 7.036 0.050 . 1 . . . . . 91 TYR HE# . 27573 1 703 . 1 1 103 103 TYR HE2 H 1 7.036 0.050 . 1 . . . . . 91 TYR HE# . 27573 1 704 . 1 1 103 103 TYR CA C 13 53.959 0.500 . 1 . . . . . 91 TYR CA . 27573 1 705 . 1 1 103 103 TYR CB C 13 39.210 0.500 . 1 . . . . . 91 TYR CB . 27573 1 706 . 1 1 103 103 TYR CD1 C 13 131.652 0.500 . 1 . . . . . 91 TYR CD# . 27573 1 707 . 1 1 103 103 TYR CD2 C 13 131.652 0.500 . 1 . . . . . 91 TYR CD# . 27573 1 708 . 1 1 103 103 TYR CE1 C 13 118.487 0.500 . 1 . . . . . 91 TYR CE# . 27573 1 709 . 1 1 103 103 TYR CE2 C 13 118.487 0.500 . 1 . . . . . 91 TYR CE# . 27573 1 710 . 1 1 103 103 TYR N N 15 125.739 0.500 . 1 . . . . . 91 TYR N . 27573 1 711 . 1 1 104 104 GLN H H 1 8.444 0.050 . 1 . . . . . 92 GLN H . 27573 1 712 . 1 1 104 104 GLN HA H 1 4.576 0.050 . 1 . . . . . 92 GLN HA . 27573 1 713 . 1 1 104 104 GLN HB2 H 1 1.856 0.050 . 1 . . . . . 92 GLN HB . 27573 1 714 . 1 1 104 104 GLN HB3 H 1 1.856 0.050 . 1 . . . . . 92 GLN HB . 27573 1 715 . 1 1 104 104 GLN HG2 H 1 2.218 0.050 . 1 . . . . . 92 GLN HG . 27573 1 716 . 1 1 104 104 GLN HG3 H 1 2.218 0.050 . 1 . . . . . 92 GLN HG . 27573 1 717 . 1 1 104 104 GLN CA C 13 52.376 0.500 . 1 . . . . . 92 GLN CA . 27573 1 718 . 1 1 104 104 GLN CB C 13 27.593 0.500 . 1 . . . . . 92 GLN CB . 27573 1 719 . 1 1 104 104 GLN CG C 13 31.337 0.500 . 1 . . . . . 92 GLN CG . 27573 1 720 . 1 1 104 104 GLN N N 15 122.743 0.500 . 1 . . . . . 92 GLN N . 27573 1 721 . 1 1 105 105 GLU H H 1 8.494 0.050 . 1 . . . . . 93 GLU H . 27573 1 722 . 1 1 105 105 GLU HA H 1 4.242 0.050 . 1 . . . . . 93 GLU HA . 27573 1 723 . 1 1 105 105 GLU HB2 H 1 1.765 0.050 . 1 . . . . . 93 GLU HB . 27573 1 724 . 1 1 105 105 GLU HB3 H 1 1.765 0.050 . 1 . . . . . 93 GLU HB . 27573 1 725 . 1 1 105 105 GLU HG2 H 1 2.109 0.050 . 1 . . . . . 93 GLU HG . 27573 1 726 . 1 1 105 105 GLU HG3 H 1 2.109 0.050 . 1 . . . . . 93 GLU HG . 27573 1 727 . 1 1 105 105 GLU CA C 13 53.461 0.500 . 1 . . . . . 93 GLU CA . 27573 1 728 . 1 1 105 105 GLU CB C 13 28.059 0.500 . 1 . . . . . 93 GLU CB . 27573 1 729 . 1 1 105 105 GLU CG C 13 33.113 0.500 . 1 . . . . . 93 GLU CG . 27573 1 730 . 1 1 105 105 GLU N N 15 124.603 0.500 . 1 . . . . . 93 GLU N . 27573 1 731 . 1 1 106 106 GLN H H 1 8.676 0.050 . 1 . . . . . 94 GLN H . 27573 1 732 . 1 1 106 106 GLN HA H 1 4.351 0.050 . 1 . . . . . 94 GLN HA . 27573 1 733 . 1 1 106 106 GLN HB2 H 1 1.957 0.050 . 1 . . . . . 94 GLN HB . 27573 1 734 . 1 1 106 106 GLN HB3 H 1 1.957 0.050 . 1 . . . . . 94 GLN HB . 27573 1 735 . 1 1 106 106 GLN HG2 H 1 2.269 0.050 . 1 . . . . . 94 GLN HG . 27573 1 736 . 1 1 106 106 GLN HG3 H 1 2.269 0.050 . 1 . . . . . 94 GLN HG . 27573 1 737 . 1 1 106 106 GLN CA C 13 55.645 0.500 . 1 . . . . . 94 GLN CA . 27573 1 738 . 1 1 106 106 GLN CB C 13 26.872 0.500 . 1 . . . . . 94 GLN CB . 27573 1 739 . 1 1 106 106 GLN CG C 13 31.017 0.500 . 1 . . . . . 94 GLN CG . 27573 1 740 . 1 1 106 106 GLN N N 15 122.728 0.500 . 1 . . . . . 94 GLN N . 27573 1 741 . 1 1 107 107 THR H H 1 8.337 0.050 . 1 . . . . . 95 THR H . 27573 1 742 . 1 1 107 107 THR HA H 1 4.155 0.050 . 1 . . . . . 95 THR HA . 27573 1 743 . 1 1 107 107 THR HG21 H 1 1.083 0.050 . 1 . . . . . 95 THR HG2# . 27573 1 744 . 1 1 107 107 THR HG22 H 1 1.083 0.050 . 1 . . . . . 95 THR HG2# . 27573 1 745 . 1 1 107 107 THR HG23 H 1 1.083 0.050 . 1 . . . . . 95 THR HG2# . 27573 1 746 . 1 1 107 107 THR CA C 13 59.002 0.500 . 1 . . . . . 95 THR CA . 27573 1 747 . 1 1 107 107 THR CB C 13 67.152 0.500 . 1 . . . . . 95 THR CB . 27573 1 748 . 1 1 107 107 THR N N 15 115.756 0.500 . 1 . . . . . 95 THR N . 27573 1 749 . 1 1 108 108 GLY H H 1 8.470 0.050 . 1 . . . . . 96 GLY H . 27573 1 750 . 1 1 108 108 GLY HA2 H 1 3.892 0.050 . 1 . . . . . 96 GLY HA . 27573 1 751 . 1 1 108 108 GLY HA3 H 1 3.892 0.050 . 1 . . . . . 96 GLY HA . 27573 1 752 . 1 1 108 108 GLY CA C 13 42.861 0.500 . 1 . . . . . 96 GLY CA . 27573 1 753 . 1 1 108 108 GLY N N 15 111.654 0.500 . 1 . . . . . 96 GLY N . 27573 1 754 . 1 1 109 109 GLY H H 1 7.993 0.050 . 1 . . . . . 97 GLY H . 27573 1 755 . 1 1 109 109 GLY N N 15 115.300 0.500 . 1 . . . . . 97 GLY N . 27573 1 stop_ save_