data_27583 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27583 _Entry.Title ; The structure of the Pro-domain of mouse proNGF in contact with the NGF domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-21 _Entry.Accession_date 2018-08-21 _Entry.Last_release_date 2018-08-22 _Entry.Original_release_date 2018-08-22 _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 Robert Yan . . . . 27583 2 Havva Yalinca . . . . 27583 3 Francesca Paoletti . . . . 27583 4 Francesco Gobbo . . . . 27583 5 Laura Marchetti . . . . 27583 6 Antonija Kuzmanic . . . . 27583 7 Doriano Lamba . . . . 27583 8 Francesco Gervasio . V. . . 27583 9 Petr Konarev . V. . . 27583 10 Antonino Cattaneo . . . . 27583 11 Annalisa Pastore . . . . 27583 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27583 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 27583 '15N chemical shifts' 89 27583 '1H chemical shifts' 91 27583 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 . . 2019-01-04 2018-08-21 update BMRB 'update entry citation' 27583 1 . . 2018-09-21 2018-08-21 original author 'original release' 27583 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27583 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30393051 _Citation.Full_citation . _Citation.Title ; The structure of the Pro-domain of mouse proNGF in contact with the NGF domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 78 _Citation.Page_last 89 _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 Robert Yan . . . . 27583 1 2 Havva Yalinca . . . . 27583 1 3 Francesca Paoletti . . . . 27583 1 4 Francesco Gobbo . . . . 27583 1 5 Laura Marchetti . . . . 27583 1 6 Antonija Kuzmanic . . . . 27583 1 7 Doriano Lamba . . . . 27583 1 8 Francesco Gervasio . . . . 27583 1 9 Petr Konarev . V. . . 27583 1 10 Antonino Cattaneo . . . . 27583 1 11 Annalisa Pastore . . . . 27583 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NGF 27583 1 Pro-domain 27583 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27583 _Assembly.ID 1 _Assembly.Name 'NGF Pro-domain' _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 'NGF Pro-domain' 1 $NGF_pro-domain A . yes 'partially disordered' no no . . . 27583 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NGF_pro-domain _Entity.Sf_category entity _Entity.Sf_framecode NGF_pro-domain _Entity.Entry_ID 27583 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NGF_pro-domain _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 ; MEPYTDSNVPEGDSVPEAHW TKLQHSLDTALRRARSAPTA PIAARVTGQTRNITVDPRLF KKRRLHSPRVLFSTQPPPTS SDTLDLDFQAHGTIPFNRTH RSKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 18 MET . 27583 1 2 19 GLU . 27583 1 3 20 PRO . 27583 1 4 21 TYR . 27583 1 5 22 THR . 27583 1 6 23 ASP . 27583 1 7 24 SER . 27583 1 8 25 ASN . 27583 1 9 26 VAL . 27583 1 10 27 PRO . 27583 1 11 28 GLU . 27583 1 12 29 GLY . 27583 1 13 30 ASP . 27583 1 14 31 SER . 27583 1 15 32 VAL . 27583 1 16 33 PRO . 27583 1 17 34 GLU . 27583 1 18 35 ALA . 27583 1 19 36 HIS . 27583 1 20 37 TRP . 27583 1 21 38 THR . 27583 1 22 39 LYS . 27583 1 23 40 LEU . 27583 1 24 41 GLN . 27583 1 25 42 HIS . 27583 1 26 43 SER . 27583 1 27 44 LEU . 27583 1 28 45 ASP . 27583 1 29 46 THR . 27583 1 30 47 ALA . 27583 1 31 48 LEU . 27583 1 32 49 ARG . 27583 1 33 50 ARG . 27583 1 34 51 ALA . 27583 1 35 52 ARG . 27583 1 36 53 SER . 27583 1 37 54 ALA . 27583 1 38 55 PRO . 27583 1 39 56 THR . 27583 1 40 57 ALA . 27583 1 41 58 PRO . 27583 1 42 59 ILE . 27583 1 43 60 ALA . 27583 1 44 61 ALA . 27583 1 45 62 ARG . 27583 1 46 63 VAL . 27583 1 47 64 THR . 27583 1 48 65 GLY . 27583 1 49 66 GLN . 27583 1 50 67 THR . 27583 1 51 68 ARG . 27583 1 52 69 ASN . 27583 1 53 70 ILE . 27583 1 54 71 THR . 27583 1 55 72 VAL . 27583 1 56 73 ASP . 27583 1 57 74 PRO . 27583 1 58 75 ARG . 27583 1 59 76 LEU . 27583 1 60 77 PHE . 27583 1 61 78 LYS . 27583 1 62 79 LYS . 27583 1 63 80 ARG . 27583 1 64 81 ARG . 27583 1 65 82 LEU . 27583 1 66 83 HIS . 27583 1 67 84 SER . 27583 1 68 85 PRO . 27583 1 69 86 ARG . 27583 1 70 87 VAL . 27583 1 71 88 LEU . 27583 1 72 89 PHE . 27583 1 73 90 SER . 27583 1 74 91 THR . 27583 1 75 92 GLN . 27583 1 76 93 PRO . 27583 1 77 94 PRO . 27583 1 78 95 PRO . 27583 1 79 96 THR . 27583 1 80 97 SER . 27583 1 81 98 SER . 27583 1 82 99 ASP . 27583 1 83 100 THR . 27583 1 84 101 LEU . 27583 1 85 102 ASP . 27583 1 86 103 LEU . 27583 1 87 104 ASP . 27583 1 88 105 PHE . 27583 1 89 106 GLN . 27583 1 90 107 ALA . 27583 1 91 108 HIS . 27583 1 92 109 GLY . 27583 1 93 110 THR . 27583 1 94 111 ILE . 27583 1 95 112 PRO . 27583 1 96 113 PHE . 27583 1 97 114 ASN . 27583 1 98 115 ARG . 27583 1 99 116 THR . 27583 1 100 117 HIS . 27583 1 101 118 ARG . 27583 1 102 119 SER . 27583 1 103 120 LYS . 27583 1 104 121 ARG . 27583 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 27583 1 . GLU 2 2 27583 1 . PRO 3 3 27583 1 . TYR 4 4 27583 1 . THR 5 5 27583 1 . ASP 6 6 27583 1 . SER 7 7 27583 1 . ASN 8 8 27583 1 . VAL 9 9 27583 1 . PRO 10 10 27583 1 . GLU 11 11 27583 1 . GLY 12 12 27583 1 . ASP 13 13 27583 1 . SER 14 14 27583 1 . VAL 15 15 27583 1 . PRO 16 16 27583 1 . GLU 17 17 27583 1 . ALA 18 18 27583 1 . HIS 19 19 27583 1 . TRP 20 20 27583 1 . THR 21 21 27583 1 . LYS 22 22 27583 1 . LEU 23 23 27583 1 . GLN 24 24 27583 1 . HIS 25 25 27583 1 . SER 26 26 27583 1 . LEU 27 27 27583 1 . ASP 28 28 27583 1 . THR 29 29 27583 1 . ALA 30 30 27583 1 . LEU 31 31 27583 1 . ARG 32 32 27583 1 . ARG 33 33 27583 1 . ALA 34 34 27583 1 . ARG 35 35 27583 1 . SER 36 36 27583 1 . ALA 37 37 27583 1 . PRO 38 38 27583 1 . THR 39 39 27583 1 . ALA 40 40 27583 1 . PRO 41 41 27583 1 . ILE 42 42 27583 1 . ALA 43 43 27583 1 . ALA 44 44 27583 1 . ARG 45 45 27583 1 . VAL 46 46 27583 1 . THR 47 47 27583 1 . GLY 48 48 27583 1 . GLN 49 49 27583 1 . THR 50 50 27583 1 . ARG 51 51 27583 1 . ASN 52 52 27583 1 . ILE 53 53 27583 1 . THR 54 54 27583 1 . VAL 55 55 27583 1 . ASP 56 56 27583 1 . PRO 57 57 27583 1 . ARG 58 58 27583 1 . LEU 59 59 27583 1 . PHE 60 60 27583 1 . LYS 61 61 27583 1 . LYS 62 62 27583 1 . ARG 63 63 27583 1 . ARG 64 64 27583 1 . LEU 65 65 27583 1 . HIS 66 66 27583 1 . SER 67 67 27583 1 . PRO 68 68 27583 1 . ARG 69 69 27583 1 . VAL 70 70 27583 1 . LEU 71 71 27583 1 . PHE 72 72 27583 1 . SER 73 73 27583 1 . THR 74 74 27583 1 . GLN 75 75 27583 1 . PRO 76 76 27583 1 . PRO 77 77 27583 1 . PRO 78 78 27583 1 . THR 79 79 27583 1 . SER 80 80 27583 1 . SER 81 81 27583 1 . ASP 82 82 27583 1 . THR 83 83 27583 1 . LEU 84 84 27583 1 . ASP 85 85 27583 1 . LEU 86 86 27583 1 . ASP 87 87 27583 1 . PHE 88 88 27583 1 . GLN 89 89 27583 1 . ALA 90 90 27583 1 . HIS 91 91 27583 1 . GLY 92 92 27583 1 . THR 93 93 27583 1 . ILE 94 94 27583 1 . PRO 95 95 27583 1 . PHE 96 96 27583 1 . ASN 97 97 27583 1 . ARG 98 98 27583 1 . THR 99 99 27583 1 . HIS 100 100 27583 1 . ARG 101 101 27583 1 . SER 102 102 27583 1 . LYS 103 103 27583 1 . ARG 104 104 27583 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 27583 _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 $NGF_pro-domain . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 27583 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 27583 _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 $NGF_pro-domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-11 . . . 27583 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27583 _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 'NGF pro-domain' '[U-99% 13C; U-99% 15N]' . . 1 $NGF_pro-domain . . 0.5 . . mM . . . . 27583 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27583 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27583 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27583 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 27583 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 27583 1 pH 6.8 . pH 27583 1 pressure 1 . atm 27583 1 temperature 273 . K 27583 1 stop_ save_ ############################ # Computer software used # ############################ save_NMR-STAR _Software.Sf_category software _Software.Sf_framecode NMR-STAR _Software.Entry_ID 27583 _Software.ID 1 _Software.Type . _Software.Name NMR-STAR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27583 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27583 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 27583 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27583 _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 . 600 . . . 27583 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 27583 _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 . . . . . . . . . . . . . . . . 27583 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27583 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27583 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27583 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27583 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 27583 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27583 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27583 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27583 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 27583 _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 . _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' . . . 27583 1 2 '3D HNCACB' . . . 27583 1 3 '3D CBCA(CO)NH' . . . 27583 1 4 '3D HNCO' . . . 27583 1 5 '3D HN(CA)CO' . . . 27583 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 3 3 PRO C C 13 176.397 0.000 . 1 . . . . . 20 PRO C . 27583 1 2 . 1 1 4 4 TYR H H 1 8.172 0.000 . 1 . . . . . 21 TYR H . 27583 1 3 . 1 1 4 4 TYR CA C 13 57.945 0.000 . 1 . . . . . 21 TYR CA . 27583 1 4 . 1 1 4 4 TYR CB C 13 38.652 0.000 . 1 . . . . . 21 TYR CB . 27583 1 5 . 1 1 4 4 TYR N N 15 120.181 0.000 . 1 . . . . . 21 TYR N . 27583 1 6 . 1 1 5 5 THR H H 1 7.962 0.000 . 1 . . . . . 22 THR H . 27583 1 7 . 1 1 5 5 THR C C 13 173.629 0.000 . 1 . . . . . 22 THR C . 27583 1 8 . 1 1 5 5 THR CA C 13 61.392 0.000 . 1 . . . . . 22 THR CA . 27583 1 9 . 1 1 5 5 THR CB C 13 70.287 0.000 . 1 . . . . . 22 THR CB . 27583 1 10 . 1 1 5 5 THR N N 15 116.430 0.000 . 1 . . . . . 22 THR N . 27583 1 11 . 1 1 6 6 ASP H H 1 8.236 0.000 . 1 . . . . . 23 ASP H . 27583 1 12 . 1 1 6 6 ASP C C 13 176.244 0.000 . 1 . . . . . 23 ASP C . 27583 1 13 . 1 1 6 6 ASP CA C 13 54.403 0.000 . 1 . . . . . 23 ASP CA . 27583 1 14 . 1 1 6 6 ASP CB C 13 41.311 0.000 . 1 . . . . . 23 ASP CB . 27583 1 15 . 1 1 6 6 ASP N N 15 122.843 0.000 . 1 . . . . . 23 ASP N . 27583 1 16 . 1 1 7 7 SER H H 1 8.225 0.000 . 1 . . . . . 24 SER H . 27583 1 17 . 1 1 7 7 SER C C 13 174.286 0.000 . 1 . . . . . 24 SER C . 27583 1 18 . 1 1 7 7 SER CA C 13 58.860 0.000 . 1 . . . . . 24 SER CA . 27583 1 19 . 1 1 7 7 SER CB C 13 63.899 0.000 . 1 . . . . . 24 SER CB . 27583 1 20 . 1 1 7 7 SER N N 15 116.035 0.000 . 1 . . . . . 24 SER N . 27583 1 21 . 1 1 8 8 ASN H H 1 8.449 0.000 . 1 . . . . . 25 ASN H . 27583 1 22 . 1 1 8 8 ASN HD21 H 1 6.869 0.000 . 9 . . . . . 25 ASN HD21 . 27583 1 23 . 1 1 8 8 ASN HD22 H 1 7.603 0.000 . 9 . . . . . 25 ASN HD22 . 27583 1 24 . 1 1 8 8 ASN C C 13 174.660 0.000 . 1 . . . . . 25 ASN C . 27583 1 25 . 1 1 8 8 ASN CA C 13 53.564 0.000 . 1 . . . . . 25 ASN CA . 27583 1 26 . 1 1 8 8 ASN CB C 13 38.912 0.000 . 1 . . . . . 25 ASN CB . 27583 1 27 . 1 1 8 8 ASN N N 15 120.817 0.000 . 1 . . . . . 25 ASN N . 27583 1 28 . 1 1 8 8 ASN ND2 N 15 113.187 0.000 . 1 . . . . . 25 ASN ND2 . 27583 1 29 . 1 1 9 9 VAL H H 1 7.980 0.000 . 1 . . . . . 26 VAL H . 27583 1 30 . 1 1 9 9 VAL CA C 13 60.011 0.000 . 1 . . . . . 26 VAL CA . 27583 1 31 . 1 1 9 9 VAL CB C 13 32.580 0.000 . 1 . . . . . 26 VAL CB . 27583 1 32 . 1 1 9 9 VAL N N 15 121.479 0.000 . 1 . . . . . 26 VAL N . 27583 1 33 . 1 1 10 10 PRO C C 13 176.848 0.000 . 1 . . . . . 27 PRO C . 27583 1 34 . 1 1 11 11 GLU H H 1 8.504 0.000 . 1 . . . . . 28 GLU H . 27583 1 35 . 1 1 11 11 GLU C C 13 177.127 0.000 . 1 . . . . . 28 GLU C . 27583 1 36 . 1 1 11 11 GLU CA C 13 57.175 0.000 . 1 . . . . . 28 GLU CA . 27583 1 37 . 1 1 11 11 GLU CB C 13 30.264 0.000 . 1 . . . . . 28 GLU CB . 27583 1 38 . 1 1 11 11 GLU N N 15 121.387 0.000 . 1 . . . . . 28 GLU N . 27583 1 39 . 1 1 12 12 GLY H H 1 8.381 0.000 . 1 . . . . . 29 GLY H . 27583 1 40 . 1 1 12 12 GLY C C 13 173.848 0.000 . 1 . . . . . 29 GLY C . 27583 1 41 . 1 1 12 12 GLY CA C 13 45.516 0.000 . 1 . . . . . 29 GLY CA . 27583 1 42 . 1 1 12 12 GLY N N 15 109.998 0.000 . 1 . . . . . 29 GLY N . 27583 1 43 . 1 1 13 13 ASP H H 1 8.226 0.000 . 1 . . . . . 30 ASP H . 27583 1 44 . 1 1 13 13 ASP C C 13 176.295 0.000 . 1 . . . . . 30 ASP C . 27583 1 45 . 1 1 13 13 ASP CA C 13 54.473 0.000 . 1 . . . . . 30 ASP CA . 27583 1 46 . 1 1 13 13 ASP CB C 13 41.411 0.000 . 1 . . . . . 30 ASP CB . 27583 1 47 . 1 1 13 13 ASP N N 15 120.458 0.000 . 1 . . . . . 30 ASP N . 27583 1 48 . 1 1 14 14 SER H H 1 8.209 0.000 . 1 . . . . . 31 SER H . 27583 1 49 . 1 1 14 14 SER C C 13 174.146 0.000 . 1 . . . . . 31 SER C . 27583 1 50 . 1 1 14 14 SER CA C 13 58.479 0.000 . 1 . . . . . 31 SER CA . 27583 1 51 . 1 1 14 14 SER CB C 13 64.085 0.000 . 1 . . . . . 31 SER CB . 27583 1 52 . 1 1 14 14 SER N N 15 115.661 0.000 . 1 . . . . . 31 SER N . 27583 1 53 . 1 1 15 15 VAL H H 1 8.127 0.000 . 1 . . . . . 32 VAL H . 27583 1 54 . 1 1 15 15 VAL CA C 13 60.134 0.000 . 1 . . . . . 32 VAL CA . 27583 1 55 . 1 1 15 15 VAL CB C 13 32.493 0.000 . 1 . . . . . 32 VAL CB . 27583 1 56 . 1 1 15 15 VAL N N 15 122.857 0.000 . 1 . . . . . 32 VAL N . 27583 1 57 . 1 1 16 16 PRO C C 13 177.030 0.000 . 1 . . . . . 33 PRO C . 27583 1 58 . 1 1 17 17 GLU H H 1 8.413 0.000 . 1 . . . . . 34 GLU H . 27583 1 59 . 1 1 17 17 GLU C C 13 176.759 0.000 . 1 . . . . . 34 GLU C . 27583 1 60 . 1 1 17 17 GLU CA C 13 57.530 0.000 . 1 . . . . . 34 GLU CA . 27583 1 61 . 1 1 17 17 GLU CB C 13 29.906 0.000 . 1 . . . . . 34 GLU CB . 27583 1 62 . 1 1 17 17 GLU N N 15 120.808 0.000 . 1 . . . . . 34 GLU N . 27583 1 63 . 1 1 18 18 ALA H H 1 8.229 0.000 . 1 . . . . . 35 ALA H . 27583 1 64 . 1 1 18 18 ALA C C 13 177.867 0.000 . 1 . . . . . 35 ALA C . 27583 1 65 . 1 1 18 18 ALA CA C 13 53.156 0.000 . 1 . . . . . 35 ALA CA . 27583 1 66 . 1 1 18 18 ALA CB C 13 18.801 0.000 . 1 . . . . . 35 ALA CB . 27583 1 67 . 1 1 18 18 ALA N N 15 123.487 0.000 . 1 . . . . . 35 ALA N . 27583 1 68 . 1 1 19 19 HIS H H 1 8.117 0.000 . 1 . . . . . 36 HIS H . 27583 1 69 . 1 1 19 19 HIS C C 13 175.949 0.000 . 1 . . . . . 36 HIS C . 27583 1 70 . 1 1 19 19 HIS CA C 13 57.430 0.000 . 1 . . . . . 36 HIS CA . 27583 1 71 . 1 1 19 19 HIS CB C 13 30.570 0.000 . 1 . . . . . 36 HIS CB . 27583 1 72 . 1 1 19 19 HIS N N 15 117.986 0.000 . 1 . . . . . 36 HIS N . 27583 1 73 . 1 1 20 20 TRP H H 1 7.808 0.000 . 1 . . . . . 37 TRP H . 27583 1 74 . 1 1 20 20 TRP HE1 H 1 10.148 0.000 . 1 . . . . . 37 TRP HE1 . 27583 1 75 . 1 1 20 20 TRP C C 13 177.119 0.000 . 1 . . . . . 37 TRP C . 27583 1 76 . 1 1 20 20 TRP CA C 13 58.121 0.000 . 1 . . . . . 37 TRP CA . 27583 1 77 . 1 1 20 20 TRP CB C 13 29.246 0.000 . 1 . . . . . 37 TRP CB . 27583 1 78 . 1 1 20 20 TRP N N 15 121.089 0.000 . 1 . . . . . 37 TRP N . 27583 1 79 . 1 1 20 20 TRP NE1 N 15 129.486 0.000 . 1 . . . . . 37 TRP NE1 . 27583 1 80 . 1 1 21 21 THR H H 1 7.904 0.000 . 1 . . . . . 38 THR H . 27583 1 81 . 1 1 21 21 THR C C 13 175.006 0.000 . 1 . . . . . 38 THR C . 27583 1 82 . 1 1 21 21 THR CA C 13 63.068 0.000 . 1 . . . . . 38 THR CA . 27583 1 83 . 1 1 21 21 THR CB C 13 69.750 0.000 . 1 . . . . . 38 THR CB . 27583 1 84 . 1 1 21 21 THR N N 15 114.674 0.000 . 1 . . . . . 38 THR N . 27583 1 85 . 1 1 22 22 LYS H H 1 7.960 0.000 . 1 . . . . . 39 LYS H . 27583 1 86 . 1 1 22 22 LYS C C 13 177.260 0.000 . 1 . . . . . 39 LYS C . 27583 1 87 . 1 1 22 22 LYS CA C 13 57.449 0.000 . 1 . . . . . 39 LYS CA . 27583 1 88 . 1 1 22 22 LYS CB C 13 32.547 0.000 . 1 . . . . . 39 LYS CB . 27583 1 89 . 1 1 22 22 LYS N N 15 122.247 0.000 . 1 . . . . . 39 LYS N . 27583 1 90 . 1 1 23 23 LEU H H 1 7.940 0.000 . 1 . . . . . 40 LEU H . 27583 1 91 . 1 1 23 23 LEU C C 13 177.794 0.000 . 1 . . . . . 40 LEU C . 27583 1 92 . 1 1 23 23 LEU CA C 13 55.872 0.000 . 1 . . . . . 40 LEU CA . 27583 1 93 . 1 1 23 23 LEU CB C 13 42.182 0.000 . 1 . . . . . 40 LEU CB . 27583 1 94 . 1 1 23 23 LEU N N 15 121.717 0.000 . 1 . . . . . 40 LEU N . 27583 1 95 . 1 1 24 24 GLN H H 1 8.134 0.000 . 1 . . . . . 41 GLN H . 27583 1 96 . 1 1 24 24 GLN CA C 13 56.848 0.000 . 1 . . . . . 41 GLN CA . 27583 1 97 . 1 1 24 24 GLN CB C 13 28.926 0.000 . 1 . . . . . 41 GLN CB . 27583 1 98 . 1 1 24 24 GLN N N 15 119.825 0.000 . 1 . . . . . 41 GLN N . 27583 1 99 . 1 1 26 26 SER C C 13 175.059 0.000 . 1 . . . . . 43 SER C . 27583 1 100 . 1 1 27 27 LEU H H 1 8.268 0.000 . 1 . . . . . 44 LEU H . 27583 1 101 . 1 1 27 27 LEU C C 13 177.583 0.000 . 1 . . . . . 44 LEU C . 27583 1 102 . 1 1 27 27 LEU CA C 13 55.949 0.000 . 1 . . . . . 44 LEU CA . 27583 1 103 . 1 1 27 27 LEU CB C 13 42.241 0.000 . 1 . . . . . 44 LEU CB . 27583 1 104 . 1 1 27 27 LEU N N 15 123.857 0.000 . 1 . . . . . 44 LEU N . 27583 1 105 . 1 1 28 28 ASP H H 1 8.256 0.000 . 1 . . . . . 45 ASP H . 27583 1 106 . 1 1 28 28 ASP C C 13 177.371 0.000 . 1 . . . . . 45 ASP C . 27583 1 107 . 1 1 28 28 ASP CA C 13 55.797 0.000 . 1 . . . . . 45 ASP CA . 27583 1 108 . 1 1 28 28 ASP CB C 13 41.290 0.000 . 1 . . . . . 45 ASP CB . 27583 1 109 . 1 1 28 28 ASP N N 15 120.545 0.000 . 1 . . . . . 45 ASP N . 27583 1 110 . 1 1 29 29 THR H H 1 8.021 0.000 . 1 . . . . . 46 THR H . 27583 1 111 . 1 1 29 29 THR C C 13 175.266 0.000 . 1 . . . . . 46 THR C . 27583 1 112 . 1 1 29 29 THR CA C 13 63.552 0.000 . 1 . . . . . 46 THR CA . 27583 1 113 . 1 1 29 29 THR CB C 13 69.378 0.000 . 1 . . . . . 46 THR CB . 27583 1 114 . 1 1 29 29 THR N N 15 114.582 0.000 . 1 . . . . . 46 THR N . 27583 1 115 . 1 1 30 30 ALA H H 1 8.131 0.000 . 1 . . . . . 47 ALA H . 27583 1 116 . 1 1 30 30 ALA CA C 13 53.935 0.000 . 1 . . . . . 47 ALA CA . 27583 1 117 . 1 1 30 30 ALA CB C 13 18.623 0.000 . 1 . . . . . 47 ALA CB . 27583 1 118 . 1 1 30 30 ALA N N 15 124.889 0.000 . 1 . . . . . 47 ALA N . 27583 1 119 . 1 1 31 31 LEU H H 1 7.982 0.000 . 1 . . . . . 48 LEU H . 27583 1 120 . 1 1 31 31 LEU C C 13 177.976 0.000 . 1 . . . . . 48 LEU C . 27583 1 121 . 1 1 31 31 LEU CA C 13 56.004 0.000 . 1 . . . . . 48 LEU CA . 27583 1 122 . 1 1 31 31 LEU CB C 13 42.122 0.000 . 1 . . . . . 48 LEU CB . 27583 1 123 . 1 1 31 31 LEU N N 15 119.572 0.000 . 1 . . . . . 48 LEU N . 27583 1 124 . 1 1 32 32 ARG H H 1 8.010 0.000 . 1 . . . . . 49 ARG H . 27583 1 125 . 1 1 32 32 ARG C C 13 176.998 0.000 . 1 . . . . . 49 ARG C . 27583 1 126 . 1 1 32 32 ARG CA C 13 57.214 0.000 . 1 . . . . . 49 ARG CA . 27583 1 127 . 1 1 32 32 ARG CB C 13 30.375 0.000 . 1 . . . . . 49 ARG CB . 27583 1 128 . 1 1 32 32 ARG N N 15 120.302 0.000 . 1 . . . . . 49 ARG N . 27583 1 129 . 1 1 33 33 ARG H H 1 8.133 0.000 . 1 . . . . . 50 ARG H . 27583 1 130 . 1 1 33 33 ARG C C 13 176.467 0.000 . 1 . . . . . 50 ARG C . 27583 1 131 . 1 1 33 33 ARG CA C 13 57.052 0.000 . 1 . . . . . 50 ARG CA . 27583 1 132 . 1 1 33 33 ARG CB C 13 30.580 0.000 . 1 . . . . . 50 ARG CB . 27583 1 133 . 1 1 33 33 ARG N N 15 120.985 0.000 . 1 . . . . . 50 ARG N . 27583 1 134 . 1 1 34 34 ALA H H 1 8.141 0.000 . 1 . . . . . 51 ALA H . 27583 1 135 . 1 1 34 34 ALA C C 13 177.937 0.000 . 1 . . . . . 51 ALA C . 27583 1 136 . 1 1 34 34 ALA CA C 13 52.969 0.000 . 1 . . . . . 51 ALA CA . 27583 1 137 . 1 1 34 34 ALA CB C 13 19.096 0.000 . 1 . . . . . 51 ALA CB . 27583 1 138 . 1 1 34 34 ALA N N 15 124.317 0.000 . 1 . . . . . 51 ALA N . 27583 1 139 . 1 1 35 35 ARG H H 1 8.198 0.000 . 1 . . . . . 52 ARG H . 27583 1 140 . 1 1 35 35 ARG C C 13 176.415 0.000 . 1 . . . . . 52 ARG C . 27583 1 141 . 1 1 35 35 ARG CA C 13 56.387 0.000 . 1 . . . . . 52 ARG CA . 27583 1 142 . 1 1 35 35 ARG CB C 13 30.717 0.000 . 1 . . . . . 52 ARG CB . 27583 1 143 . 1 1 35 35 ARG N N 15 119.576 0.000 . 1 . . . . . 52 ARG N . 27583 1 144 . 1 1 36 36 SER H H 1 8.181 0.000 . 1 . . . . . 53 SER H . 27583 1 145 . 1 1 36 36 SER C C 13 173.632 0.000 . 1 . . . . . 53 SER C . 27583 1 146 . 1 1 36 36 SER CA C 13 58.351 0.000 . 1 . . . . . 53 SER CA . 27583 1 147 . 1 1 36 36 SER CB C 13 64.094 0.000 . 1 . . . . . 53 SER CB . 27583 1 148 . 1 1 36 36 SER N N 15 116.490 0.000 . 1 . . . . . 53 SER N . 27583 1 149 . 1 1 37 37 ALA H H 1 8.203 0.000 . 1 . . . . . 54 ALA H . 27583 1 150 . 1 1 37 37 ALA CA C 13 50.731 0.000 . 1 . . . . . 54 ALA CA . 27583 1 151 . 1 1 37 37 ALA CB C 13 18.165 0.000 . 1 . . . . . 54 ALA CB . 27583 1 152 . 1 1 37 37 ALA N N 15 126.797 0.000 . 1 . . . . . 54 ALA N . 27583 1 153 . 1 1 38 38 PRO C C 13 177.074 0.000 . 1 . . . . . 55 PRO C . 27583 1 154 . 1 1 39 39 THR H H 1 8.152 0.000 . 1 . . . . . 56 THR H . 27583 1 155 . 1 1 39 39 THR C C 13 173.988 0.000 . 1 . . . . . 56 THR C . 27583 1 156 . 1 1 39 39 THR CA C 13 61.604 0.000 . 1 . . . . . 56 THR CA . 27583 1 157 . 1 1 39 39 THR CB C 13 70.037 0.000 . 1 . . . . . 56 THR CB . 27583 1 158 . 1 1 39 39 THR N N 15 114.112 0.000 . 1 . . . . . 56 THR N . 27583 1 159 . 1 1 40 40 ALA H H 1 8.213 0.000 . 1 . . . . . 57 ALA H . 27583 1 160 . 1 1 40 40 ALA CA C 13 50.624 0.000 . 1 . . . . . 57 ALA CA . 27583 1 161 . 1 1 40 40 ALA CB C 13 18.239 0.000 . 1 . . . . . 57 ALA CB . 27583 1 162 . 1 1 40 40 ALA N N 15 127.686 0.000 . 1 . . . . . 57 ALA N . 27583 1 163 . 1 1 41 41 PRO C C 13 176.888 0.000 . 1 . . . . . 58 PRO C . 27583 1 164 . 1 1 42 42 ILE H H 1 8.165 0.000 . 1 . . . . . 59 ILE H . 27583 1 165 . 1 1 42 42 ILE C C 13 176.107 0.000 . 1 . . . . . 59 ILE C . 27583 1 166 . 1 1 42 42 ILE CA C 13 61.228 0.000 . 1 . . . . . 59 ILE CA . 27583 1 167 . 1 1 42 42 ILE CB C 13 38.742 0.000 . 1 . . . . . 59 ILE CB . 27583 1 168 . 1 1 42 42 ILE N N 15 121.070 0.000 . 1 . . . . . 59 ILE N . 27583 1 169 . 1 1 43 43 ALA H H 1 8.303 0.000 . 1 . . . . . 60 ALA H . 27583 1 170 . 1 1 43 43 ALA C C 13 177.220 0.000 . 1 . . . . . 60 ALA C . 27583 1 171 . 1 1 43 43 ALA CA C 13 52.463 0.000 . 1 . . . . . 60 ALA CA . 27583 1 172 . 1 1 43 43 ALA CB C 13 19.200 0.000 . 1 . . . . . 60 ALA CB . 27583 1 173 . 1 1 43 43 ALA N N 15 127.977 0.000 . 1 . . . . . 60 ALA N . 27583 1 174 . 1 1 44 44 ALA H H 1 8.166 0.000 . 1 . . . . . 61 ALA H . 27583 1 175 . 1 1 44 44 ALA C C 13 177.584 0.000 . 1 . . . . . 61 ALA C . 27583 1 176 . 1 1 44 44 ALA CA C 13 52.410 0.000 . 1 . . . . . 61 ALA CA . 27583 1 177 . 1 1 44 44 ALA CB C 13 19.258 0.000 . 1 . . . . . 61 ALA CB . 27583 1 178 . 1 1 44 44 ALA N N 15 123.299 0.000 . 1 . . . . . 61 ALA N . 27583 1 179 . 1 1 45 45 ARG H H 1 8.232 0.000 . 1 . . . . . 62 ARG H . 27583 1 180 . 1 1 45 45 ARG C C 13 176.311 0.000 . 1 . . . . . 62 ARG C . 27583 1 181 . 1 1 45 45 ARG CA C 13 56.201 0.000 . 1 . . . . . 62 ARG CA . 27583 1 182 . 1 1 45 45 ARG CB C 13 30.807 0.000 . 1 . . . . . 62 ARG CB . 27583 1 183 . 1 1 45 45 ARG N N 15 120.442 0.000 . 1 . . . . . 62 ARG N . 27583 1 184 . 1 1 46 46 VAL H H 1 8.220 0.000 . 1 . . . . . 63 VAL H . 27583 1 185 . 1 1 46 46 VAL C C 13 176.368 0.000 . 1 . . . . . 63 VAL C . 27583 1 186 . 1 1 46 46 VAL CA C 13 62.585 0.000 . 1 . . . . . 63 VAL CA . 27583 1 187 . 1 1 46 46 VAL CB C 13 32.771 0.000 . 1 . . . . . 63 VAL CB . 27583 1 188 . 1 1 46 46 VAL N N 15 121.719 0.000 . 1 . . . . . 63 VAL N . 27583 1 189 . 1 1 47 47 THR H H 1 8.240 0.000 . 1 . . . . . 64 THR H . 27583 1 190 . 1 1 47 47 THR C C 13 175.048 0.000 . 1 . . . . . 64 THR C . 27583 1 191 . 1 1 47 47 THR CA C 13 62.189 0.000 . 1 . . . . . 64 THR CA . 27583 1 192 . 1 1 47 47 THR CB C 13 70.150 0.000 . 1 . . . . . 64 THR CB . 27583 1 193 . 1 1 47 47 THR N N 15 117.856 0.000 . 1 . . . . . 64 THR N . 27583 1 194 . 1 1 48 48 GLY H H 1 8.454 0.000 . 1 . . . . . 65 GLY H . 27583 1 195 . 1 1 48 48 GLY C C 13 174.111 0.000 . 1 . . . . . 65 GLY C . 27583 1 196 . 1 1 48 48 GLY CA C 13 45.546 0.000 . 1 . . . . . 65 GLY CA . 27583 1 197 . 1 1 48 48 GLY N N 15 111.137 0.000 . 1 . . . . . 65 GLY N . 27583 1 198 . 1 1 49 49 GLN H H 1 8.268 0.000 . 1 . . . . . 66 GLN H . 27583 1 199 . 1 1 49 49 GLN C C 13 176.261 0.000 . 1 . . . . . 66 GLN C . 27583 1 200 . 1 1 49 49 GLN CA C 13 55.894 0.000 . 1 . . . . . 66 GLN CA . 27583 1 201 . 1 1 49 49 GLN CB C 13 29.506 0.000 . 1 . . . . . 66 GLN CB . 27583 1 202 . 1 1 49 49 GLN N N 15 119.830 0.000 . 1 . . . . . 66 GLN N . 27583 1 203 . 1 1 50 50 THR H H 1 8.254 0.000 . 1 . . . . . 67 THR H . 27583 1 204 . 1 1 50 50 THR C C 13 174.387 0.000 . 1 . . . . . 67 THR C . 27583 1 205 . 1 1 50 50 THR CA C 13 62.322 0.000 . 1 . . . . . 67 THR CA . 27583 1 206 . 1 1 50 50 THR CB C 13 69.877 0.000 . 1 . . . . . 67 THR CB . 27583 1 207 . 1 1 50 50 THR N N 15 115.927 0.000 . 1 . . . . . 67 THR N . 27583 1 208 . 1 1 51 51 ARG H H 1 8.365 0.000 . 1 . . . . . 68 ARG H . 27583 1 209 . 1 1 51 51 ARG C C 13 175.677 0.000 . 1 . . . . . 68 ARG C . 27583 1 210 . 1 1 51 51 ARG CA C 13 56.127 0.000 . 1 . . . . . 68 ARG CA . 27583 1 211 . 1 1 51 51 ARG CB C 13 30.930 0.000 . 1 . . . . . 68 ARG CB . 27583 1 212 . 1 1 51 51 ARG N N 15 123.306 0.000 . 1 . . . . . 68 ARG N . 27583 1 213 . 1 1 52 52 ASN H H 1 8.494 0.000 . 1 . . . . . 69 ASN H . 27583 1 214 . 1 1 52 52 ASN HD21 H 1 6.884 0.000 . 9 . . . . . 69 ASN HD21 . 27583 1 215 . 1 1 52 52 ASN HD22 H 1 7.580 0.000 . 9 . . . . . 69 ASN HD22 . 27583 1 216 . 1 1 52 52 ASN C C 13 174.895 0.000 . 1 . . . . . 69 ASN C . 27583 1 217 . 1 1 52 52 ASN CA C 13 53.559 0.000 . 1 . . . . . 69 ASN CA . 27583 1 218 . 1 1 52 52 ASN CB C 13 38.854 0.000 . 1 . . . . . 69 ASN CB . 27583 1 219 . 1 1 52 52 ASN N N 15 120.337 0.000 . 1 . . . . . 69 ASN N . 27583 1 220 . 1 1 52 52 ASN ND2 N 15 112.952 0.000 . 1 . . . . . 69 ASN ND2 . 27583 1 221 . 1 1 53 53 ILE H H 1 8.122 0.000 . 1 . . . . . 70 ILE H . 27583 1 222 . 1 1 53 53 ILE C C 13 176.163 0.000 . 1 . . . . . 70 ILE C . 27583 1 223 . 1 1 53 53 ILE CA C 13 61.217 0.000 . 1 . . . . . 70 ILE CA . 27583 1 224 . 1 1 53 53 ILE CB C 13 38.870 0.000 . 1 . . . . . 70 ILE CB . 27583 1 225 . 1 1 53 53 ILE N N 15 121.096 0.000 . 1 . . . . . 70 ILE N . 27583 1 226 . 1 1 54 54 THR H H 1 8.272 0.000 . 1 . . . . . 71 THR H . 27583 1 227 . 1 1 54 54 THR C C 13 174.160 0.000 . 1 . . . . . 71 THR C . 27583 1 228 . 1 1 54 54 THR CA C 13 62.004 0.000 . 1 . . . . . 71 THR CA . 27583 1 229 . 1 1 54 54 THR CB C 13 69.925 0.000 . 1 . . . . . 71 THR CB . 27583 1 230 . 1 1 54 54 THR N N 15 119.099 0.000 . 1 . . . . . 71 THR N . 27583 1 231 . 1 1 55 55 VAL H H 1 8.127 0.000 . 1 . . . . . 72 VAL H . 27583 1 232 . 1 1 55 55 VAL C C 13 175.047 0.000 . 1 . . . . . 72 VAL C . 27583 1 233 . 1 1 55 55 VAL CA C 13 61.865 0.000 . 1 . . . . . 72 VAL CA . 27583 1 234 . 1 1 55 55 VAL CB C 13 32.750 0.000 . 1 . . . . . 72 VAL CB . 27583 1 235 . 1 1 55 55 VAL N N 15 123.025 0.000 . 1 . . . . . 72 VAL N . 27583 1 236 . 1 1 56 56 ASP H H 1 8.323 0.000 . 1 . . . . . 73 ASP H . 27583 1 237 . 1 1 56 56 ASP CA C 13 51.710 0.000 . 1 . . . . . 73 ASP CA . 27583 1 238 . 1 1 56 56 ASP CB C 13 41.838 0.000 . 1 . . . . . 73 ASP CB . 27583 1 239 . 1 1 56 56 ASP N N 15 126.286 0.000 . 1 . . . . . 73 ASP N . 27583 1 240 . 1 1 57 57 PRO C C 13 178.020 0.000 . 1 . . . . . 74 PRO C . 27583 1 241 . 1 1 58 58 ARG H H 1 8.408 0.000 . 1 . . . . . 75 ARG H . 27583 1 242 . 1 1 58 58 ARG C C 13 177.373 0.000 . 1 . . . . . 75 ARG C . 27583 1 243 . 1 1 58 58 ARG CA C 13 57.624 0.000 . 1 . . . . . 75 ARG CA . 27583 1 244 . 1 1 58 58 ARG CB C 13 29.969 0.000 . 1 . . . . . 75 ARG CB . 27583 1 245 . 1 1 58 58 ARG N N 15 118.551 0.000 . 1 . . . . . 75 ARG N . 27583 1 246 . 1 1 59 59 LEU H H 1 7.757 0.000 . 1 . . . . . 76 LEU H . 27583 1 247 . 1 1 59 59 LEU C C 13 177.373 0.000 . 1 . . . . . 76 LEU C . 27583 1 248 . 1 1 59 59 LEU CA C 13 55.596 0.000 . 1 . . . . . 76 LEU CA . 27583 1 249 . 1 1 59 59 LEU CB C 13 41.977 0.000 . 1 . . . . . 76 LEU CB . 27583 1 250 . 1 1 59 59 LEU N N 15 119.239 0.000 . 1 . . . . . 76 LEU N . 27583 1 251 . 1 1 60 60 PHE H H 1 7.759 0.000 . 1 . . . . . 77 PHE H . 27583 1 252 . 1 1 60 60 PHE C C 13 175.776 0.000 . 1 . . . . . 77 PHE C . 27583 1 253 . 1 1 60 60 PHE CA C 13 57.929 0.000 . 1 . . . . . 77 PHE CA . 27583 1 254 . 1 1 60 60 PHE CB C 13 39.204 0.000 . 1 . . . . . 77 PHE CB . 27583 1 255 . 1 1 60 60 PHE N N 15 119.237 0.000 . 1 . . . . . 77 PHE N . 27583 1 256 . 1 1 61 61 LYS H H 1 7.955 0.000 . 1 . . . . . 78 LYS H . 27583 1 257 . 1 1 61 61 LYS C C 13 176.332 0.000 . 1 . . . . . 78 LYS C . 27583 1 258 . 1 1 61 61 LYS CA C 13 56.711 0.000 . 1 . . . . . 78 LYS CA . 27583 1 259 . 1 1 61 61 LYS CB C 13 32.999 0.000 . 1 . . . . . 78 LYS CB . 27583 1 260 . 1 1 61 61 LYS N N 15 121.812 0.000 . 1 . . . . . 78 LYS N . 27583 1 261 . 1 1 62 62 LYS H H 1 8.143 0.000 . 1 . . . . . 79 LYS H . 27583 1 262 . 1 1 62 62 LYS C C 13 176.525 0.000 . 1 . . . . . 79 LYS C . 27583 1 263 . 1 1 62 62 LYS CA C 13 56.724 0.000 . 1 . . . . . 79 LYS CA . 27583 1 264 . 1 1 62 62 LYS CB C 13 32.933 0.000 . 1 . . . . . 79 LYS CB . 27583 1 265 . 1 1 62 62 LYS N N 15 121.916 0.000 . 1 . . . . . 79 LYS N . 27583 1 266 . 1 1 63 63 ARG H H 1 8.274 0.000 . 1 . . . . . 80 ARG H . 27583 1 267 . 1 1 63 63 ARG C C 13 176.105 0.000 . 1 . . . . . 80 ARG C . 27583 1 268 . 1 1 63 63 ARG CA C 13 56.461 0.000 . 1 . . . . . 80 ARG CA . 27583 1 269 . 1 1 63 63 ARG CB C 13 30.819 0.000 . 1 . . . . . 80 ARG CB . 27583 1 270 . 1 1 63 63 ARG N N 15 122.225 0.000 . 1 . . . . . 80 ARG N . 27583 1 271 . 1 1 64 64 ARG H H 1 8.377 0.000 . 1 . . . . . 81 ARG H . 27583 1 272 . 1 1 64 64 ARG C C 13 175.998 0.000 . 1 . . . . . 81 ARG C . 27583 1 273 . 1 1 64 64 ARG CA C 13 56.223 0.000 . 1 . . . . . 81 ARG CA . 27583 1 274 . 1 1 64 64 ARG CB C 13 30.705 0.000 . 1 . . . . . 81 ARG CB . 27583 1 275 . 1 1 64 64 ARG N N 15 122.573 0.000 . 1 . . . . . 81 ARG N . 27583 1 276 . 1 1 65 65 LEU H H 1 8.267 0.000 . 1 . . . . . 82 LEU H . 27583 1 277 . 1 1 65 65 LEU CA C 13 55.585 0.000 . 1 . . . . . 82 LEU CA . 27583 1 278 . 1 1 65 65 LEU CB C 13 42.458 0.000 . 1 . . . . . 82 LEU CB . 27583 1 279 . 1 1 65 65 LEU N N 15 123.533 0.000 . 1 . . . . . 82 LEU N . 27583 1 280 . 1 1 66 66 HIS H H 1 8.309 0.000 . 1 . . . . . 83 HIS H . 27583 1 281 . 1 1 66 66 HIS C C 13 174.905 0.000 . 1 . . . . . 83 HIS C . 27583 1 282 . 1 1 66 66 HIS CA C 13 55.915 0.000 . 1 . . . . . 83 HIS CA . 27583 1 283 . 1 1 66 66 HIS CB C 13 30.761 0.000 . 1 . . . . . 83 HIS CB . 27583 1 284 . 1 1 66 66 HIS N N 15 120.209 0.000 . 1 . . . . . 83 HIS N . 27583 1 285 . 1 1 67 67 SER H H 1 8.297 0.000 . 1 . . . . . 84 SER H . 27583 1 286 . 1 1 67 67 SER CA C 13 56.205 0.000 . 1 . . . . . 84 SER CA . 27583 1 287 . 1 1 67 67 SER CB C 13 63.406 0.000 . 1 . . . . . 84 SER CB . 27583 1 288 . 1 1 67 67 SER N N 15 118.747 0.000 . 1 . . . . . 84 SER N . 27583 1 289 . 1 1 68 68 PRO C C 13 176.639 0.000 . 1 . . . . . 85 PRO C . 27583 1 290 . 1 1 69 69 ARG H H 1 8.354 0.000 . 1 . . . . . 86 ARG H . 27583 1 291 . 1 1 69 69 ARG C C 13 176.178 0.000 . 1 . . . . . 86 ARG C . 27583 1 292 . 1 1 69 69 ARG CA C 13 56.410 0.000 . 1 . . . . . 86 ARG CA . 27583 1 293 . 1 1 69 69 ARG CB C 13 30.738 0.000 . 1 . . . . . 86 ARG CB . 27583 1 294 . 1 1 69 69 ARG N N 15 121.201 0.000 . 1 . . . . . 86 ARG N . 27583 1 295 . 1 1 70 70 VAL H H 1 8.071 0.000 . 1 . . . . . 87 VAL H . 27583 1 296 . 1 1 70 70 VAL C C 13 175.629 0.000 . 1 . . . . . 87 VAL C . 27583 1 297 . 1 1 70 70 VAL CA C 13 62.344 0.000 . 1 . . . . . 87 VAL CA . 27583 1 298 . 1 1 70 70 VAL CB C 13 32.739 0.000 . 1 . . . . . 87 VAL CB . 27583 1 299 . 1 1 70 70 VAL N N 15 121.593 0.000 . 1 . . . . . 87 VAL N . 27583 1 300 . 1 1 71 71 LEU H H 1 8.207 0.000 . 1 . . . . . 88 LEU H . 27583 1 301 . 1 1 71 71 LEU C C 13 176.695 0.000 . 1 . . . . . 88 LEU C . 27583 1 302 . 1 1 71 71 LEU CA C 13 55.181 0.000 . 1 . . . . . 88 LEU CA . 27583 1 303 . 1 1 71 71 LEU CB C 13 42.569 0.000 . 1 . . . . . 88 LEU CB . 27583 1 304 . 1 1 71 71 LEU N N 15 125.763 0.000 . 1 . . . . . 88 LEU N . 27583 1 305 . 1 1 72 72 PHE H H 1 8.149 0.000 . 1 . . . . . 89 PHE H . 27583 1 306 . 1 1 72 72 PHE C C 13 175.541 0.000 . 1 . . . . . 89 PHE C . 27583 1 307 . 1 1 72 72 PHE CA C 13 57.625 0.000 . 1 . . . . . 89 PHE CA . 27583 1 308 . 1 1 72 72 PHE CB C 13 39.762 0.000 . 1 . . . . . 89 PHE CB . 27583 1 309 . 1 1 72 72 PHE N N 15 120.555 0.000 . 1 . . . . . 89 PHE N . 27583 1 310 . 1 1 73 73 SER H H 1 8.211 0.000 . 1 . . . . . 90 SER H . 27583 1 311 . 1 1 73 73 SER C C 13 174.535 0.000 . 1 . . . . . 90 SER C . 27583 1 312 . 1 1 73 73 SER CA C 13 57.988 0.000 . 1 . . . . . 90 SER CA . 27583 1 313 . 1 1 73 73 SER CB C 13 64.126 0.000 . 1 . . . . . 90 SER CB . 27583 1 314 . 1 1 73 73 SER N N 15 116.726 0.000 . 1 . . . . . 90 SER N . 27583 1 315 . 1 1 74 74 THR H H 1 8.158 0.000 . 1 . . . . . 91 THR H . 27583 1 316 . 1 1 74 74 THR C C 13 174.207 0.000 . 1 . . . . . 91 THR C . 27583 1 317 . 1 1 74 74 THR CA C 13 61.897 0.000 . 1 . . . . . 91 THR CA . 27583 1 318 . 1 1 74 74 THR CB C 13 69.886 0.000 . 1 . . . . . 91 THR CB . 27583 1 319 . 1 1 74 74 THR N N 15 115.491 0.000 . 1 . . . . . 91 THR N . 27583 1 320 . 1 1 75 75 GLN H H 1 8.258 0.000 . 1 . . . . . 92 GLN H . 27583 1 321 . 1 1 75 75 GLN CA C 13 53.783 0.000 . 1 . . . . . 92 GLN CA . 27583 1 322 . 1 1 75 75 GLN CB C 13 29.096 0.000 . 1 . . . . . 92 GLN CB . 27583 1 323 . 1 1 75 75 GLN N N 15 123.547 0.000 . 1 . . . . . 92 GLN N . 27583 1 324 . 1 1 78 78 PRO C C 13 177.151 0.000 . 1 . . . . . 95 PRO C . 27583 1 325 . 1 1 79 79 THR H H 1 8.222 0.000 . 1 . . . . . 96 THR H . 27583 1 326 . 1 1 79 79 THR C C 13 174.668 0.000 . 1 . . . . . 96 THR C . 27583 1 327 . 1 1 79 79 THR CA C 13 61.726 0.000 . 1 . . . . . 96 THR CA . 27583 1 328 . 1 1 79 79 THR CB C 13 70.198 0.000 . 1 . . . . . 96 THR CB . 27583 1 329 . 1 1 79 79 THR N N 15 113.851 0.000 . 1 . . . . . 96 THR N . 27583 1 330 . 1 1 80 80 SER H H 1 8.330 0.000 . 1 . . . . . 97 SER H . 27583 1 331 . 1 1 80 80 SER C C 13 174.647 0.000 . 1 . . . . . 97 SER C . 27583 1 332 . 1 1 80 80 SER CA C 13 58.402 0.000 . 1 . . . . . 97 SER CA . 27583 1 333 . 1 1 80 80 SER CB C 13 64.121 0.000 . 1 . . . . . 97 SER CB . 27583 1 334 . 1 1 80 80 SER N N 15 117.720 0.000 . 1 . . . . . 97 SER N . 27583 1 335 . 1 1 81 81 SER H H 1 8.418 0.000 . 1 . . . . . 98 SER H . 27583 1 336 . 1 1 81 81 SER C C 13 174.311 0.000 . 1 . . . . . 98 SER C . 27583 1 337 . 1 1 81 81 SER CA C 13 58.779 0.000 . 1 . . . . . 98 SER CA . 27583 1 338 . 1 1 81 81 SER CB C 13 64.122 0.000 . 1 . . . . . 98 SER CB . 27583 1 339 . 1 1 81 81 SER N N 15 117.601 0.000 . 1 . . . . . 98 SER N . 27583 1 340 . 1 1 82 82 ASP H H 1 8.331 0.000 . 1 . . . . . 99 ASP H . 27583 1 341 . 1 1 82 82 ASP C C 13 176.431 0.000 . 1 . . . . . 99 ASP C . 27583 1 342 . 1 1 82 82 ASP CA C 13 54.888 0.000 . 1 . . . . . 99 ASP CA . 27583 1 343 . 1 1 82 82 ASP CB C 13 41.203 0.000 . 1 . . . . . 99 ASP CB . 27583 1 344 . 1 1 82 82 ASP N N 15 122.241 0.000 . 1 . . . . . 99 ASP N . 27583 1 345 . 1 1 83 83 THR H H 1 8.011 0.000 . 1 . . . . . 100 THR H . 27583 1 346 . 1 1 83 83 THR C C 13 174.485 0.000 . 1 . . . . . 100 THR C . 27583 1 347 . 1 1 83 83 THR CA C 13 62.235 0.000 . 1 . . . . . 100 THR CA . 27583 1 348 . 1 1 83 83 THR CB C 13 69.922 0.000 . 1 . . . . . 100 THR CB . 27583 1 349 . 1 1 83 83 THR N N 15 113.761 0.000 . 1 . . . . . 100 THR N . 27583 1 350 . 1 1 84 84 LEU H H 1 8.140 0.000 . 1 . . . . . 101 LEU H . 27583 1 351 . 1 1 84 84 LEU C C 13 176.891 0.000 . 1 . . . . . 101 LEU C . 27583 1 352 . 1 1 84 84 LEU CA C 13 55.591 0.000 . 1 . . . . . 101 LEU CA . 27583 1 353 . 1 1 84 84 LEU CB C 13 42.439 0.000 . 1 . . . . . 101 LEU CB . 27583 1 354 . 1 1 84 84 LEU N N 15 124.196 0.000 . 1 . . . . . 101 LEU N . 27583 1 355 . 1 1 85 85 ASP H H 1 8.264 0.000 . 1 . . . . . 102 ASP H . 27583 1 356 . 1 1 85 85 ASP CA C 13 54.445 0.000 . 1 . . . . . 102 ASP CA . 27583 1 357 . 1 1 85 85 ASP CB C 13 40.972 0.000 . 1 . . . . . 102 ASP CB . 27583 1 358 . 1 1 85 85 ASP N N 15 121.207 0.000 . 1 . . . . . 102 ASP N . 27583 1 359 . 1 1 86 86 LEU H H 1 8.086 0.000 . 1 . . . . . 103 LEU H . 27583 1 360 . 1 1 86 86 LEU C C 13 177.387 0.000 . 1 . . . . . 103 LEU C . 27583 1 361 . 1 1 86 86 LEU N N 15 122.395 0.000 . 1 . . . . . 103 LEU N . 27583 1 362 . 1 1 87 87 ASP H H 1 8.266 0.000 . 1 . . . . . 104 ASP H . 27583 1 363 . 1 1 87 87 ASP C C 13 176.386 0.000 . 1 . . . . . 104 ASP C . 27583 1 364 . 1 1 87 87 ASP CA C 13 54.706 0.000 . 1 . . . . . 104 ASP CA . 27583 1 365 . 1 1 87 87 ASP CB C 13 40.984 0.000 . 1 . . . . . 104 ASP CB . 27583 1 366 . 1 1 87 87 ASP N N 15 120.169 0.000 . 1 . . . . . 104 ASP N . 27583 1 367 . 1 1 88 88 PHE H H 1 7.999 0.000 . 1 . . . . . 105 PHE H . 27583 1 368 . 1 1 88 88 PHE C C 13 176.056 0.000 . 1 . . . . . 105 PHE C . 27583 1 369 . 1 1 88 88 PHE CA C 13 58.745 0.000 . 1 . . . . . 105 PHE CA . 27583 1 370 . 1 1 88 88 PHE CB C 13 39.173 0.000 . 1 . . . . . 105 PHE CB . 27583 1 371 . 1 1 88 88 PHE N N 15 120.518 0.000 . 1 . . . . . 105 PHE N . 27583 1 372 . 1 1 89 89 GLN H H 1 8.099 0.000 . 1 . . . . . 106 GLN H . 27583 1 373 . 1 1 89 89 GLN C C 13 175.634 0.000 . 1 . . . . . 106 GLN C . 27583 1 374 . 1 1 89 89 GLN CA C 13 56.041 0.000 . 1 . . . . . 106 GLN CA . 27583 1 375 . 1 1 89 89 GLN CB C 13 29.030 0.000 . 1 . . . . . 106 GLN CB . 27583 1 376 . 1 1 89 89 GLN N N 15 120.852 0.000 . 1 . . . . . 106 GLN N . 27583 1 377 . 1 1 90 90 ALA H H 1 8.022 0.000 . 1 . . . . . 107 ALA H . 27583 1 378 . 1 1 90 90 ALA C C 13 177.719 0.000 . 1 . . . . . 107 ALA C . 27583 1 379 . 1 1 90 90 ALA CA C 13 52.977 0.000 . 1 . . . . . 107 ALA CA . 27583 1 380 . 1 1 90 90 ALA CB C 13 19.048 0.000 . 1 . . . . . 107 ALA CB . 27583 1 381 . 1 1 90 90 ALA N N 15 123.901 0.000 . 1 . . . . . 107 ALA N . 27583 1 382 . 1 1 91 91 HIS H H 1 8.173 0.000 . 1 . . . . . 108 HIS H . 27583 1 383 . 1 1 91 91 HIS C C 13 175.809 0.000 . 1 . . . . . 108 HIS C . 27583 1 384 . 1 1 91 91 HIS CA C 13 56.303 0.000 . 1 . . . . . 108 HIS CA . 27583 1 385 . 1 1 91 91 HIS CB C 13 30.360 0.000 . 1 . . . . . 108 HIS CB . 27583 1 386 . 1 1 91 91 HIS N N 15 117.780 0.000 . 1 . . . . . 108 HIS N . 27583 1 387 . 1 1 92 92 GLY H H 1 8.298 0.000 . 1 . . . . . 109 GLY H . 27583 1 388 . 1 1 92 92 GLY C C 13 174.152 0.000 . 1 . . . . . 109 GLY C . 27583 1 389 . 1 1 92 92 GLY CA C 13 45.503 0.000 . 1 . . . . . 109 GLY CA . 27583 1 390 . 1 1 92 92 GLY N N 15 109.734 0.000 . 1 . . . . . 109 GLY N . 27583 1 391 . 1 1 93 93 THR H H 1 8.045 0.000 . 1 . . . . . 110 THR H . 27583 1 392 . 1 1 93 93 THR C C 13 174.318 0.000 . 1 . . . . . 110 THR C . 27583 1 393 . 1 1 93 93 THR CA C 13 62.057 0.000 . 1 . . . . . 110 THR CA . 27583 1 394 . 1 1 93 93 THR CB C 13 70.130 0.000 . 1 . . . . . 110 THR CB . 27583 1 395 . 1 1 93 93 THR N N 15 113.799 0.000 . 1 . . . . . 110 THR N . 27583 1 396 . 1 1 94 94 ILE H H 1 8.167 0.000 . 1 . . . . . 111 ILE H . 27583 1 397 . 1 1 94 94 ILE CA C 13 59.072 0.000 . 1 . . . . . 111 ILE CA . 27583 1 398 . 1 1 94 94 ILE CB C 13 38.667 0.000 . 1 . . . . . 111 ILE CB . 27583 1 399 . 1 1 94 94 ILE N N 15 124.698 0.000 . 1 . . . . . 111 ILE N . 27583 1 400 . 1 1 95 95 PRO C C 13 176.572 0.000 . 1 . . . . . 112 PRO C . 27583 1 401 . 1 1 96 96 PHE H H 1 8.180 0.000 . 1 . . . . . 113 PHE H . 27583 1 402 . 1 1 96 96 PHE C C 13 175.509 0.000 . 1 . . . . . 113 PHE C . 27583 1 403 . 1 1 96 96 PHE CA C 13 58.190 0.000 . 1 . . . . . 113 PHE CA . 27583 1 404 . 1 1 96 96 PHE CB C 13 39.616 0.000 . 1 . . . . . 113 PHE CB . 27583 1 405 . 1 1 96 96 PHE N N 15 120.520 0.000 . 1 . . . . . 113 PHE N . 27583 1 406 . 1 1 97 97 ASN H H 1 8.283 0.000 . 1 . . . . . 114 ASN H . 27583 1 407 . 1 1 97 97 ASN C C 13 174.872 0.000 . 1 . . . . . 114 ASN C . 27583 1 408 . 1 1 97 97 ASN CA C 13 53.252 0.000 . 1 . . . . . 114 ASN CA . 27583 1 409 . 1 1 97 97 ASN CB C 13 38.938 0.000 . 1 . . . . . 114 ASN CB . 27583 1 410 . 1 1 97 97 ASN N N 15 120.182 0.000 . 1 . . . . . 114 ASN N . 27583 1 411 . 1 1 98 98 ARG H H 1 8.195 0.000 . 1 . . . . . 115 ARG H . 27583 1 412 . 1 1 98 98 ARG C C 13 176.369 0.000 . 1 . . . . . 115 ARG C . 27583 1 413 . 1 1 98 98 ARG CA C 13 56.520 0.000 . 1 . . . . . 115 ARG CA . 27583 1 414 . 1 1 98 98 ARG CB C 13 30.684 0.000 . 1 . . . . . 115 ARG CB . 27583 1 415 . 1 1 98 98 ARG N N 15 121.446 0.000 . 1 . . . . . 115 ARG N . 27583 1 416 . 1 1 99 99 THR H H 1 8.109 0.000 . 1 . . . . . 116 THR H . 27583 1 417 . 1 1 99 99 THR CA C 13 62.486 0.000 . 1 . . . . . 116 THR CA . 27583 1 418 . 1 1 99 99 THR CB C 13 69.970 0.000 . 1 . . . . . 116 THR CB . 27583 1 419 . 1 1 99 99 THR N N 15 114.520 0.000 . 1 . . . . . 116 THR N . 27583 1 420 . 1 1 102 102 SER C C 13 174.301 0.000 . 1 . . . . . 119 SER C . 27583 1 421 . 1 1 103 103 LYS H H 1 8.339 0.000 . 1 . . . . . 120 LYS H . 27583 1 422 . 1 1 103 103 LYS C C 13 175.539 0.000 . 1 . . . . . 120 LYS C . 27583 1 423 . 1 1 103 103 LYS CA C 13 56.580 0.000 . 1 . . . . . 120 LYS CA . 27583 1 424 . 1 1 103 103 LYS CB C 13 33.100 0.000 . 1 . . . . . 120 LYS CB . 27583 1 425 . 1 1 103 103 LYS N N 15 123.762 0.000 . 1 . . . . . 120 LYS N . 27583 1 426 . 1 1 104 104 ARG H H 1 7.973 0.000 . 1 . . . . . 121 ARG H . 27583 1 427 . 1 1 104 104 ARG CA C 13 57.647 0.000 . 1 . . . . . 121 ARG CA . 27583 1 428 . 1 1 104 104 ARG CB C 13 31.413 0.000 . 1 . . . . . 121 ARG CB . 27583 1 429 . 1 1 104 104 ARG N N 15 127.612 0.000 . 1 . . . . . 121 ARG N . 27583 1 stop_ save_