data_26664 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26664 _Entry.Title ; UBXD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-19 _Entry.Accession_date 2015-09-19 _Entry.Last_release_date 2015-11-09 _Entry.Original_release_date 2015-11-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'backbone assignment of UBXD1 1-120 aa' _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 Franziska Trusch . . . . 26664 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26664 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 196 26664 '15N chemical shifts' 91 26664 '1H chemical shifts' 178 26664 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 . . 2016-07-08 2015-09-19 update BMRB 'update entry citation' 26664 1 . . 2015-11-09 2015-09-19 original author 'original release' 26664 stop_ save_ ############### # Citations # ############### save_Trusch_et_al. _Citation.Sf_category citations _Citation.Sf_framecode Trusch_et_al. _Citation.Entry_ID 26664 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26475856 _Citation.Full_citation . _Citation.Title ; The N-terminal Region of the UBX Domain-containing Protein 1 (UBXD1) Modulates Interdomain Communication within the Valosin-containing Protein p97 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 49 _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 29414 _Citation.Page_last 29427 _Citation.Year 2015 _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 Franziska Trusch . . . . 26664 1 2 Anja Matena . . . . 26664 1 3 Maja Vuk . . . . 26664 1 4 Lisa Koerver . . . . 26664 1 5 Helene Knaevelsrud . . . . 26664 1 6 Paul Freemont . S. . . 26664 1 7 Hemmo Meyer . . . . 26664 1 8 Peter Bayer . . . . 26664 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ATPase 26664 1 UBXD1 26664 1 endosome 26664 1 'nuclear magnetic resonance (NMR)' 26664 1 p97 26664 1 'protein structure' 26664 1 'protein-protein interaction' 26664 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26664 _Assembly.ID 1 _Assembly.Name UBXD1-N _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 UBXD1-N 1 $UBXD1-N A . yes 'intrinsically disordered' no no . . . 26664 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBXD1-N _Entity.Sf_category entity _Entity.Sf_framecode UBXD1-N _Entity.Entry_ID 26664 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBXD1-N _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 ; MKKFFQEFKADIKFKSAGPG QKLKESVGEKAHKEKPNQPA PRPPRQGPTNEAQMAAAAAL ARLEQKQSRAWGPTSQDTIR NQVRKELQAEATVSGSPEAP GTNVVSEPREEGSAHLAVPG ; _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 120 _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 1 MET . 26664 1 2 2 LYS . 26664 1 3 3 LYS . 26664 1 4 4 PHE . 26664 1 5 5 PHE . 26664 1 6 6 GLN . 26664 1 7 7 GLU . 26664 1 8 8 PHE . 26664 1 9 9 LYS . 26664 1 10 10 ALA . 26664 1 11 11 ASP . 26664 1 12 12 ILE . 26664 1 13 13 LYS . 26664 1 14 14 PHE . 26664 1 15 15 LYS . 26664 1 16 16 SER . 26664 1 17 17 ALA . 26664 1 18 18 GLY . 26664 1 19 19 PRO . 26664 1 20 20 GLY . 26664 1 21 21 GLN . 26664 1 22 22 LYS . 26664 1 23 23 LEU . 26664 1 24 24 LYS . 26664 1 25 25 GLU . 26664 1 26 26 SER . 26664 1 27 27 VAL . 26664 1 28 28 GLY . 26664 1 29 29 GLU . 26664 1 30 30 LYS . 26664 1 31 31 ALA . 26664 1 32 32 HIS . 26664 1 33 33 LYS . 26664 1 34 34 GLU . 26664 1 35 35 LYS . 26664 1 36 36 PRO . 26664 1 37 37 ASN . 26664 1 38 38 GLN . 26664 1 39 39 PRO . 26664 1 40 40 ALA . 26664 1 41 41 PRO . 26664 1 42 42 ARG . 26664 1 43 43 PRO . 26664 1 44 44 PRO . 26664 1 45 45 ARG . 26664 1 46 46 GLN . 26664 1 47 47 GLY . 26664 1 48 48 PRO . 26664 1 49 49 THR . 26664 1 50 50 ASN . 26664 1 51 51 GLU . 26664 1 52 52 ALA . 26664 1 53 53 GLN . 26664 1 54 54 MET . 26664 1 55 55 ALA . 26664 1 56 56 ALA . 26664 1 57 57 ALA . 26664 1 58 58 ALA . 26664 1 59 59 ALA . 26664 1 60 60 LEU . 26664 1 61 61 ALA . 26664 1 62 62 ARG . 26664 1 63 63 LEU . 26664 1 64 64 GLU . 26664 1 65 65 GLN . 26664 1 66 66 LYS . 26664 1 67 67 GLN . 26664 1 68 68 SER . 26664 1 69 69 ARG . 26664 1 70 70 ALA . 26664 1 71 71 TRP . 26664 1 72 72 GLY . 26664 1 73 73 PRO . 26664 1 74 74 THR . 26664 1 75 75 SER . 26664 1 76 76 GLN . 26664 1 77 77 ASP . 26664 1 78 78 THR . 26664 1 79 79 ILE . 26664 1 80 80 ARG . 26664 1 81 81 ASN . 26664 1 82 82 GLN . 26664 1 83 83 VAL . 26664 1 84 84 ARG . 26664 1 85 85 LYS . 26664 1 86 86 GLU . 26664 1 87 87 LEU . 26664 1 88 88 GLN . 26664 1 89 89 ALA . 26664 1 90 90 GLU . 26664 1 91 91 ALA . 26664 1 92 92 THR . 26664 1 93 93 VAL . 26664 1 94 94 SER . 26664 1 95 95 GLY . 26664 1 96 96 SER . 26664 1 97 97 PRO . 26664 1 98 98 GLU . 26664 1 99 99 ALA . 26664 1 100 100 PRO . 26664 1 101 101 GLY . 26664 1 102 102 THR . 26664 1 103 103 ASN . 26664 1 104 104 VAL . 26664 1 105 105 VAL . 26664 1 106 106 SER . 26664 1 107 107 GLU . 26664 1 108 108 PRO . 26664 1 109 109 ARG . 26664 1 110 110 GLU . 26664 1 111 111 GLU . 26664 1 112 112 GLY . 26664 1 113 113 SER . 26664 1 114 114 ALA . 26664 1 115 115 HIS . 26664 1 116 116 LEU . 26664 1 117 117 ALA . 26664 1 118 118 VAL . 26664 1 119 119 PRO . 26664 1 120 120 GLY . 26664 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 26664 1 . LYS 2 2 26664 1 . LYS 3 3 26664 1 . PHE 4 4 26664 1 . PHE 5 5 26664 1 . GLN 6 6 26664 1 . GLU 7 7 26664 1 . PHE 8 8 26664 1 . LYS 9 9 26664 1 . ALA 10 10 26664 1 . ASP 11 11 26664 1 . ILE 12 12 26664 1 . LYS 13 13 26664 1 . PHE 14 14 26664 1 . LYS 15 15 26664 1 . SER 16 16 26664 1 . ALA 17 17 26664 1 . GLY 18 18 26664 1 . PRO 19 19 26664 1 . GLY 20 20 26664 1 . GLN 21 21 26664 1 . LYS 22 22 26664 1 . LEU 23 23 26664 1 . LYS 24 24 26664 1 . GLU 25 25 26664 1 . SER 26 26 26664 1 . VAL 27 27 26664 1 . GLY 28 28 26664 1 . GLU 29 29 26664 1 . LYS 30 30 26664 1 . ALA 31 31 26664 1 . HIS 32 32 26664 1 . LYS 33 33 26664 1 . GLU 34 34 26664 1 . LYS 35 35 26664 1 . PRO 36 36 26664 1 . ASN 37 37 26664 1 . GLN 38 38 26664 1 . PRO 39 39 26664 1 . ALA 40 40 26664 1 . PRO 41 41 26664 1 . ARG 42 42 26664 1 . PRO 43 43 26664 1 . PRO 44 44 26664 1 . ARG 45 45 26664 1 . GLN 46 46 26664 1 . GLY 47 47 26664 1 . PRO 48 48 26664 1 . THR 49 49 26664 1 . ASN 50 50 26664 1 . GLU 51 51 26664 1 . ALA 52 52 26664 1 . GLN 53 53 26664 1 . MET 54 54 26664 1 . ALA 55 55 26664 1 . ALA 56 56 26664 1 . ALA 57 57 26664 1 . ALA 58 58 26664 1 . ALA 59 59 26664 1 . LEU 60 60 26664 1 . ALA 61 61 26664 1 . ARG 62 62 26664 1 . LEU 63 63 26664 1 . GLU 64 64 26664 1 . GLN 65 65 26664 1 . LYS 66 66 26664 1 . GLN 67 67 26664 1 . SER 68 68 26664 1 . ARG 69 69 26664 1 . ALA 70 70 26664 1 . TRP 71 71 26664 1 . GLY 72 72 26664 1 . PRO 73 73 26664 1 . THR 74 74 26664 1 . SER 75 75 26664 1 . GLN 76 76 26664 1 . ASP 77 77 26664 1 . THR 78 78 26664 1 . ILE 79 79 26664 1 . ARG 80 80 26664 1 . ASN 81 81 26664 1 . GLN 82 82 26664 1 . VAL 83 83 26664 1 . ARG 84 84 26664 1 . LYS 85 85 26664 1 . GLU 86 86 26664 1 . LEU 87 87 26664 1 . GLN 88 88 26664 1 . ALA 89 89 26664 1 . GLU 90 90 26664 1 . ALA 91 91 26664 1 . THR 92 92 26664 1 . VAL 93 93 26664 1 . SER 94 94 26664 1 . GLY 95 95 26664 1 . SER 96 96 26664 1 . PRO 97 97 26664 1 . GLU 98 98 26664 1 . ALA 99 99 26664 1 . PRO 100 100 26664 1 . GLY 101 101 26664 1 . THR 102 102 26664 1 . ASN 103 103 26664 1 . VAL 104 104 26664 1 . VAL 105 105 26664 1 . SER 106 106 26664 1 . GLU 107 107 26664 1 . PRO 108 108 26664 1 . ARG 109 109 26664 1 . GLU 110 110 26664 1 . GLU 111 111 26664 1 . GLY 112 112 26664 1 . SER 113 113 26664 1 . ALA 114 114 26664 1 . HIS 115 115 26664 1 . LEU 116 116 26664 1 . ALA 117 117 26664 1 . VAL 118 118 26664 1 . PRO 119 119 26664 1 . GLY 120 120 26664 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 26664 _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 $UBXD1-N . 562 plasmid . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . 26664 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 26664 _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 $UBXD1-N . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET41b . . . 26664 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_UBXD1-N_sample _Sample.Sf_category sample _Sample.Sf_framecode UBXD1-N_sample _Sample.Entry_ID 26664 _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 UBXD1-N '[U-13C; U-15N]' . . 1 $UBXD1-N . . 250 . . uM . . . . 26664 1 2 'potassium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 26664 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26664 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26664 1 stop_ save_ ####################### # Sample conditions # ####################### save_UBXD1-N_condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode UBXD1-N_condition _Sample_condition_list.Entry_ID 26664 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.050 . M 26664 1 pH 6.5 . pH 26664 1 temperature 273 . K 26664 1 stop_ save_ ############################ # Computer software used # ############################ save_Auremol _Software.Sf_category software _Software.Sf_framecode Auremol _Software.Entry_ID 26664 _Software.ID 1 _Software.Name Auremol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26664 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26664 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 26664 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26664 _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 . 700 . . . 26664 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 26664 _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 $UBXD1-N_sample isotropic . . 1 $UBXD1-N_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26664 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $UBXD1-N_sample isotropic . . 1 $UBXD1-N_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26664 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $UBXD1-N_sample isotropic . . 1 $UBXD1-N_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26664 1 4 '3D HNCACB' no . . . . . . . . . . 1 $UBXD1-N_sample isotropic . . 1 $UBXD1-N_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26664 1 5 '3D HNCA' no . . . . . . . . . . 1 $UBXD1-N_sample isotropic . . 1 $UBXD1-N_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26664 1 6 '3D HNCO' no . . . . . . . . . . 1 $UBXD1-N_sample isotropic . . 1 $UBXD1-N_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26664 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $UBXD1-N_sample isotropic . . 1 $UBXD1-N_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26664 1 8 '3D HCACO' no . . . . . . . . . . 1 $UBXD1-N_sample isotropic . . 1 $UBXD1-N_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26664 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $UBXD1-N_sample isotropic . . 1 $UBXD1-N_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26664 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $UBXD1-N_sample isotropic . . 1 $UBXD1-N_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26664 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 26664 _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 . . . . . 26664 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26664 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26664 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_UBXD1_assignment _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode UBXD1_assignment _Assigned_chem_shift_list.Entry_ID 26664 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $UBXD1-N_condition _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' . . . 26664 1 3 '3D CBCA(CO)NH' . . . 26664 1 4 '3D HNCACB' . . . 26664 1 5 '3D HNCA' . . . 26664 1 6 '3D HNCO' . . . 26664 1 7 '3D HN(CO)CA' . . . 26664 1 8 '3D HCACO' . . . 26664 1 9 '3D 1H-15N TOCSY' . . . 26664 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Auremol . . 26664 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.929 0.45 . 1 . . . . 1 MET CA . 26664 1 2 . 1 1 2 2 LYS H H 1 8.078 0.04 . 1 . . . . 2 LYS H . 26664 1 3 . 1 1 2 2 LYS HA H 1 4.186 0.04 . 1 . . . . 2 LYS HA . 26664 1 4 . 1 1 2 2 LYS C C 13 180.908 0.45 . 1 . . . . 2 LYS C . 26664 1 5 . 1 1 2 2 LYS CA C 13 53.321 0.45 . 1 . . . . 2 LYS CA . 26664 1 6 . 1 1 2 2 LYS N N 15 123.898 0.45 . 1 . . . . 2 LYS N . 26664 1 7 . 1 1 3 3 LYS H H 1 8.284 0.04 . 1 . . . . 3 LYS H . 26664 1 8 . 1 1 3 3 LYS HA H 1 4.214 0.04 . 1 . . . . 3 LYS HA . 26664 1 9 . 1 1 3 3 LYS CA C 13 53.61 0.45 . 1 . . . . 3 LYS CA . 26664 1 10 . 1 1 3 3 LYS N N 15 122.165 0.45 . 1 . . . . 3 LYS N . 26664 1 11 . 1 1 4 4 PHE H H 1 8.133 0.04 . 1 . . . . 4 PHE H . 26664 1 12 . 1 1 4 4 PHE HA H 1 4.554 0.04 . 1 . . . . 4 PHE HA . 26664 1 13 . 1 1 4 4 PHE C C 13 177.467 0.45 . 1 . . . . 4 PHE C . 26664 1 14 . 1 1 4 4 PHE CA C 13 54.693 0.45 . 1 . . . . 4 PHE CA . 26664 1 15 . 1 1 4 4 PHE N N 15 121.211 0.45 . 1 . . . . 4 PHE N . 26664 1 16 . 1 1 5 5 PHE H H 1 8.059 0.04 . 1 . . . . 5 PHE H . 26664 1 17 . 1 1 5 5 PHE HA H 1 4.212 0.04 . 1 . . . . 5 PHE HA . 26664 1 18 . 1 1 5 5 PHE C C 13 178.868 0.45 . 1 . . . . 5 PHE C . 26664 1 19 . 1 1 5 5 PHE CA C 13 54.958 0.45 . 1 . . . . 5 PHE CA . 26664 1 20 . 1 1 5 5 PHE N N 15 121.971 0.45 . 1 . . . . 5 PHE N . 26664 1 21 . 1 1 6 6 GLN CA C 13 52.853 0.45 . 1 . . . . 6 GLN CA . 26664 1 22 . 1 1 7 7 GLU H H 1 8.253 0.04 . 1 . . . . 7 GLU H . 26664 1 23 . 1 1 7 7 GLU CA C 13 53.539 0.45 . 1 . . . . 7 GLU CA . 26664 1 24 . 1 1 7 7 GLU N N 15 122.603 0.45 . 1 . . . . 7 GLU N . 26664 1 25 . 1 1 8 8 PHE H H 1 8.248 0.04 . 1 . . . . 8 PHE H . 26664 1 26 . 1 1 8 8 PHE C C 13 178.868 0.45 . 1 . . . . 8 PHE C . 26664 1 27 . 1 1 8 8 PHE CA C 13 54.912 0.45 . 1 . . . . 8 PHE CA . 26664 1 28 . 1 1 8 8 PHE N N 15 121.89 0.45 . 1 . . . . 8 PHE N . 26664 1 29 . 1 1 9 9 LYS C C 13 177.365 0.45 . 1 . . . . 9 LYS C . 26664 1 30 . 1 1 9 9 LYS CA C 13 53.602 0.45 . 1 . . . . 9 LYS CA . 26664 1 31 . 1 1 10 10 ALA H H 1 8.129 0.04 . 1 . . . . 10 ALA H . 26664 1 32 . 1 1 10 10 ALA HA H 1 4.192 0.04 . 1 . . . . 10 ALA HA . 26664 1 33 . 1 1 10 10 ALA C C 13 178.348 0.45 . 1 . . . . 10 ALA C . 26664 1 34 . 1 1 10 10 ALA CA C 13 49.854 0.45 . 1 . . . . 10 ALA CA . 26664 1 35 . 1 1 10 10 ALA N N 15 124.357 0.45 . 1 . . . . 10 ALA N . 26664 1 36 . 1 1 11 11 ASP H H 1 8.236 0.04 . 1 . . . . 11 ASP H . 26664 1 37 . 1 1 11 11 ASP HA H 1 4.497 0.04 . 1 . . . . 11 ASP HA . 26664 1 38 . 1 1 11 11 ASP CA C 13 51.573 0.45 . 1 . . . . 11 ASP CA . 26664 1 39 . 1 1 11 11 ASP N N 15 119.841 0.45 . 1 . . . . 11 ASP N . 26664 1 40 . 1 1 12 12 ILE H H 1 7.92 0.04 . 1 . . . . 12 ILE H . 26664 1 41 . 1 1 12 12 ILE HA H 1 4.097 0.04 . 1 . . . . 12 ILE HA . 26664 1 42 . 1 1 12 12 ILE C C 13 178.918 0.45 . 1 . . . . 12 ILE C . 26664 1 43 . 1 1 12 12 ILE CA C 13 58.842 0.45 . 1 . . . . 12 ILE CA . 26664 1 44 . 1 1 12 12 ILE N N 15 121.246 0.45 . 1 . . . . 12 ILE N . 26664 1 45 . 1 1 13 13 LYS H H 1 8.218 0.04 . 1 . . . . 13 LYS H . 26664 1 46 . 1 1 13 13 LYS HA H 1 4.22 0.04 . 1 . . . . 13 LYS HA . 26664 1 47 . 1 1 13 13 LYS C C 13 177.327 0.45 . 1 . . . . 13 LYS C . 26664 1 48 . 1 1 13 13 LYS CA C 13 53.708 0.45 . 1 . . . . 13 LYS CA . 26664 1 49 . 1 1 13 13 LYS N N 15 124.282 0.45 . 1 . . . . 13 LYS N . 26664 1 50 . 1 1 14 14 PHE H H 1 8.035 0.04 . 1 . . . . 14 PHE H . 26664 1 51 . 1 1 14 14 PHE HA H 1 4.306 0.04 . 1 . . . . 14 PHE HA . 26664 1 52 . 1 1 14 14 PHE C C 13 177.467 0.45 . 1 . . . . 14 PHE C . 26664 1 53 . 1 1 14 14 PHE CA C 13 55.024 0.45 . 1 . . . . 14 PHE CA . 26664 1 54 . 1 1 14 14 PHE N N 15 120.701 0.45 . 1 . . . . 14 PHE N . 26664 1 55 . 1 1 15 15 LYS CA C 13 53.683 0.45 . 1 . . . . 15 LYS CA . 26664 1 56 . 1 1 16 16 SER H H 1 8.345 0.04 . 1 . . . . 16 SER H . 26664 1 57 . 1 1 16 16 SER HA H 1 4.41 0.04 . 1 . . . . 16 SER HA . 26664 1 58 . 1 1 16 16 SER C C 13 178.262 0.45 . 1 . . . . 16 SER C . 26664 1 59 . 1 1 16 16 SER CA C 13 55.525 0.45 . 1 . . . . 16 SER CA . 26664 1 60 . 1 1 16 16 SER N N 15 117.339 0.45 . 1 . . . . 16 SER N . 26664 1 61 . 1 1 17 17 ALA H H 1 8.293 0.04 . 1 . . . . 17 ALA H . 26664 1 62 . 1 1 17 17 ALA HA H 1 4.21 0.04 . 1 . . . . 17 ALA HA . 26664 1 63 . 1 1 17 17 ALA C C 13 179.194 0.45 . 1 . . . . 17 ALA C . 26664 1 64 . 1 1 17 17 ALA CA C 13 49.852 0.45 . 1 . . . . 17 ALA CA . 26664 1 65 . 1 1 17 17 ALA N N 15 126.046 0.45 . 1 . . . . 17 ALA N . 26664 1 66 . 1 1 18 18 GLY H H 1 8.136 0.04 . 1 . . . . 18 GLY H . 26664 1 67 . 1 1 18 18 GLY HA3 H 1 4.044 0.04 . 2 . . . . 18 GLY HA3 . 26664 1 68 . 1 1 18 18 GLY C C 13 177.006 0.45 . 1 . . . . 18 GLY C . 26664 1 69 . 1 1 18 18 GLY CA C 13 41.892 0.45 . 1 . . . . 18 GLY CA . 26664 1 70 . 1 1 18 18 GLY N N 15 108.248 0.45 . 1 . . . . 18 GLY N . 26664 1 71 . 1 1 19 19 PRO CA C 13 60.965 0.45 . 1 . . . . 19 PRO CA . 26664 1 72 . 1 1 20 20 GLY H H 1 8.489 0.04 . 1 . . . . 20 GLY H . 26664 1 73 . 1 1 20 20 GLY HA3 H 1 3.902 0.04 . 2 . . . . 20 GLY HA3 . 26664 1 74 . 1 1 20 20 GLY C C 13 176.783 0.45 . 1 . . . . 20 GLY C . 26664 1 75 . 1 1 20 20 GLY CA C 13 42.68 0.45 . 1 . . . . 20 GLY CA . 26664 1 76 . 1 1 20 20 GLY N N 15 109.292 0.45 . 1 . . . . 20 GLY N . 26664 1 77 . 1 1 21 21 GLN H H 1 8.042 0.04 . 1 . . . . 21 GLN H . 26664 1 78 . 1 1 21 21 GLN HA H 1 4.254 0.04 . 1 . . . . 21 GLN HA . 26664 1 79 . 1 1 21 21 GLN C C 13 180.474 0.45 . 1 . . . . 21 GLN C . 26664 1 80 . 1 1 21 21 GLN CA C 13 53.199 0.45 . 1 . . . . 21 GLN CA . 26664 1 81 . 1 1 21 21 GLN N N 15 119.805 0.45 . 1 . . . . 21 GLN N . 26664 1 82 . 1 1 22 22 LYS H H 1 8.287 0.04 . 1 . . . . 22 LYS H . 26664 1 83 . 1 1 22 22 LYS C C 13 178.768 0.45 . 1 . . . . 22 LYS C . 26664 1 84 . 1 1 22 22 LYS CA C 13 53.682 0.45 . 1 . . . . 22 LYS CA . 26664 1 85 . 1 1 22 22 LYS N N 15 122.629 0.45 . 1 . . . . 22 LYS N . 26664 1 86 . 1 1 23 23 LEU H H 1 8.203 0.04 . 1 . . . . 23 LEU H . 26664 1 87 . 1 1 23 23 LEU C C 13 178.17 0.45 . 1 . . . . 23 LEU C . 26664 1 88 . 1 1 23 23 LEU CA C 13 52.833 0.45 . 1 . . . . 23 LEU CA . 26664 1 89 . 1 1 23 23 LEU N N 15 123.72 0.45 . 1 . . . . 23 LEU N . 26664 1 90 . 1 1 24 24 LYS H H 1 8.236 0.04 . 1 . . . . 24 LYS H . 26664 1 91 . 1 1 24 24 LYS HA H 1 4.213 0.04 . 1 . . . . 24 LYS HA . 26664 1 92 . 1 1 24 24 LYS C C 13 177.365 0.45 . 1 . . . . 24 LYS C . 26664 1 93 . 1 1 24 24 LYS CA C 13 53.651 0.45 . 1 . . . . 24 LYS CA . 26664 1 94 . 1 1 24 24 LYS N N 15 122.297 0.45 . 1 . . . . 24 LYS N . 26664 1 95 . 1 1 25 25 GLU H H 1 8.355 0.04 . 1 . . . . 25 GLU H . 26664 1 96 . 1 1 25 25 GLU HA H 1 4.236 0.04 . 1 . . . . 25 GLU HA . 26664 1 97 . 1 1 25 25 GLU C C 13 178.225 0.45 . 1 . . . . 25 GLU C . 26664 1 98 . 1 1 25 25 GLU CA C 13 53.871 0.45 . 1 . . . . 25 GLU CA . 26664 1 99 . 1 1 25 25 GLU N N 15 122.151 0.45 . 1 . . . . 25 GLU N . 26664 1 100 . 1 1 26 26 SER CA C 13 55.406 0.45 . 1 . . . . 26 SER CA . 26664 1 101 . 1 1 27 27 VAL H H 1 8.138 0.04 . 1 . . . . 27 VAL H . 26664 1 102 . 1 1 27 27 VAL HA H 1 4.102 0.04 . 1 . . . . 27 VAL HA . 26664 1 103 . 1 1 27 27 VAL C C 13 180.083 0.45 . 1 . . . . 27 VAL C . 26664 1 104 . 1 1 27 27 VAL CA C 13 59.855 0.45 . 1 . . . . 27 VAL CA . 26664 1 105 . 1 1 27 27 VAL N N 15 121.535 0.45 . 1 . . . . 27 VAL N . 26664 1 106 . 1 1 28 28 GLY H H 1 8.369 0.04 . 1 . . . . 28 GLY H . 26664 1 107 . 1 1 28 28 GLY HA3 H 1 3.905 0.04 . 2 . . . . 28 GLY HA3 . 26664 1 108 . 1 1 28 28 GLY C C 13 177.974 0.45 . 1 . . . . 28 GLY C . 26664 1 109 . 1 1 28 28 GLY CA C 13 42.493 0.45 . 1 . . . . 28 GLY CA . 26664 1 110 . 1 1 28 28 GLY N N 15 111.874 0.45 . 1 . . . . 28 GLY N . 26664 1 111 . 1 1 29 29 GLU H H 1 8.2 0.04 . 1 . . . . 29 GLU H . 26664 1 112 . 1 1 29 29 GLU HA H 1 4.194 0.04 . 1 . . . . 29 GLU HA . 26664 1 113 . 1 1 29 29 GLU C C 13 180.492 0.45 . 1 . . . . 29 GLU C . 26664 1 114 . 1 1 29 29 GLU CA C 13 52.848 0.45 . 1 . . . . 29 GLU CA . 26664 1 115 . 1 1 29 29 GLU N N 15 121.015 0.45 . 1 . . . . 29 GLU N . 26664 1 116 . 1 1 30 30 LYS H H 1 8.2 0.04 . 1 . . . . 30 LYS H . 26664 1 117 . 1 1 30 30 LYS HA H 1 4.213 0.04 . 1 . . . . 30 LYS HA . 26664 1 118 . 1 1 30 30 LYS C C 13 179.65 0.45 . 1 . . . . 30 LYS C . 26664 1 119 . 1 1 30 30 LYS CA C 13 53.685 0.45 . 1 . . . . 30 LYS CA . 26664 1 120 . 1 1 30 30 LYS N N 15 122.967 0.45 . 1 . . . . 30 LYS N . 26664 1 121 . 1 1 34 34 GLU CA C 13 53.596 0.45 . 1 . . . . 34 GLU CA . 26664 1 122 . 1 1 35 35 LYS H H 1 8.342 0.04 . 1 . . . . 35 LYS H . 26664 1 123 . 1 1 35 35 LYS HA H 1 4.507 0.04 . 1 . . . . 35 LYS HA . 26664 1 124 . 1 1 35 35 LYS C C 13 178.553 0.45 . 1 . . . . 35 LYS C . 26664 1 125 . 1 1 35 35 LYS CA C 13 51.584 0.45 . 1 . . . . 35 LYS CA . 26664 1 126 . 1 1 35 35 LYS N N 15 123.755 0.45 . 1 . . . . 35 LYS N . 26664 1 127 . 1 1 36 36 PRO CA C 13 60.534 0.45 . 1 . . . . 36 PRO CA . 26664 1 128 . 1 1 37 37 ASN H H 1 8.498 0.04 . 1 . . . . 37 ASN H . 26664 1 129 . 1 1 37 37 ASN HA H 1 4.579 0.04 . 1 . . . . 37 ASN HA . 26664 1 130 . 1 1 37 37 ASN C C 13 177.976 0.45 . 1 . . . . 37 ASN C . 26664 1 131 . 1 1 37 37 ASN CA C 13 50.584 0.45 . 1 . . . . 37 ASN CA . 26664 1 132 . 1 1 37 37 ASN N N 15 118.776 0.45 . 1 . . . . 37 ASN N . 26664 1 133 . 1 1 38 38 GLN H H 1 8.168 0.04 . 1 . . . . 38 GLN H . 26664 1 134 . 1 1 38 38 GLN HA H 1 4.572 0.04 . 1 . . . . 38 GLN HA . 26664 1 135 . 1 1 38 38 GLN C C 13 179.91 0.45 . 1 . . . . 38 GLN C . 26664 1 136 . 1 1 38 38 GLN CA C 13 50.757 0.45 . 1 . . . . 38 GLN CA . 26664 1 137 . 1 1 38 38 GLN N N 15 121.311 0.45 . 1 . . . . 38 GLN N . 26664 1 138 . 1 1 39 39 PRO CA C 13 60.151 0.45 . 1 . . . . 39 PRO CA . 26664 1 139 . 1 1 40 40 ALA H H 1 8.337 0.04 . 1 . . . . 40 ALA H . 26664 1 140 . 1 1 40 40 ALA HA H 1 4.484 0.04 . 1 . . . . 40 ALA HA . 26664 1 141 . 1 1 40 40 ALA C C 13 178.509 0.45 . 1 . . . . 40 ALA C . 26664 1 142 . 1 1 40 40 ALA CA C 13 47.663 0.45 . 1 . . . . 40 ALA CA . 26664 1 143 . 1 1 40 40 ALA N N 15 125.839 0.45 . 1 . . . . 40 ALA N . 26664 1 144 . 1 1 41 41 PRO CA C 13 60.176 0.45 . 1 . . . . 41 PRO CA . 26664 1 145 . 1 1 42 42 ARG H H 1 8.325 0.04 . 1 . . . . 42 ARG H . 26664 1 146 . 1 1 42 42 ARG HA H 1 4.529 0.04 . 1 . . . . 42 ARG HA . 26664 1 147 . 1 1 42 42 ARG C C 13 178.086 0.45 . 1 . . . . 42 ARG C . 26664 1 148 . 1 1 42 42 ARG CA C 13 51.113 0.45 . 1 . . . . 42 ARG CA . 26664 1 149 . 1 1 42 42 ARG N N 15 122.471 0.45 . 1 . . . . 42 ARG N . 26664 1 150 . 1 1 44 44 PRO CA C 13 60.72 0.45 . 1 . . . . 44 PRO CA . 26664 1 151 . 1 1 45 45 ARG H H 1 8.337 0.04 . 1 . . . . 45 ARG H . 26664 1 152 . 1 1 45 45 ARG HA H 1 4.209 0.04 . 1 . . . . 45 ARG HA . 26664 1 153 . 1 1 45 45 ARG C C 13 177.886 0.45 . 1 . . . . 45 ARG C . 26664 1 154 . 1 1 45 45 ARG CA C 13 53.565 0.45 . 1 . . . . 45 ARG CA . 26664 1 155 . 1 1 45 45 ARG N N 15 121.091 0.45 . 1 . . . . 45 ARG N . 26664 1 156 . 1 1 46 46 GLN H H 1 8.396 0.04 . 1 . . . . 46 GLN H . 26664 1 157 . 1 1 46 46 GLN HA H 1 4.252 0.04 . 1 . . . . 46 GLN HA . 26664 1 158 . 1 1 46 46 GLN C C 13 178.488 0.45 . 1 . . . . 46 GLN C . 26664 1 159 . 1 1 46 46 GLN CA C 13 53.436 0.45 . 1 . . . . 46 GLN CA . 26664 1 160 . 1 1 46 46 GLN N N 15 122.027 0.45 . 1 . . . . 46 GLN N . 26664 1 161 . 1 1 47 47 GLY H H 1 8.282 0.04 . 1 . . . . 47 GLY H . 26664 1 162 . 1 1 47 47 GLY HA3 H 1 4.063 0.04 . 2 . . . . 47 GLY HA3 . 26664 1 163 . 1 1 47 47 GLY C C 13 178.826 0.45 . 1 . . . . 47 GLY C . 26664 1 164 . 1 1 47 47 GLY CA C 13 41.831 0.45 . 1 . . . . 47 GLY CA . 26664 1 165 . 1 1 47 47 GLY N N 15 110.817 0.45 . 1 . . . . 47 GLY N . 26664 1 166 . 1 1 48 48 PRO CA C 13 60.333 0.45 . 1 . . . . 48 PRO CA . 26664 1 167 . 1 1 49 49 THR H H 1 8.265 0.04 . 1 . . . . 49 THR H . 26664 1 168 . 1 1 49 49 THR HA H 1 4.34 0.04 . 1 . . . . 49 THR HA . 26664 1 169 . 1 1 49 49 THR C C 13 177.257 0.45 . 1 . . . . 49 THR C . 26664 1 170 . 1 1 49 49 THR CA C 13 59.402 0.45 . 1 . . . . 49 THR CA . 26664 1 171 . 1 1 49 49 THR N N 15 114.021 0.45 . 1 . . . . 49 THR N . 26664 1 172 . 1 1 50 50 ASN H H 1 8.418 0.04 . 1 . . . . 50 ASN H . 26664 1 173 . 1 1 50 50 ASN HA H 1 4.419 0.04 . 1 . . . . 50 ASN HA . 26664 1 174 . 1 1 50 50 ASN CA C 13 51.181 0.45 . 1 . . . . 50 ASN CA . 26664 1 175 . 1 1 50 50 ASN N N 15 120.645 0.45 . 1 . . . . 50 ASN N . 26664 1 176 . 1 1 51 51 GLU H H 1 8.534 0.04 . 1 . . . . 51 GLU H . 26664 1 177 . 1 1 51 51 GLU HA H 1 4.113 0.04 . 1 . . . . 51 GLU HA . 26664 1 178 . 1 1 51 51 GLU CA C 13 56.257 0.45 . 1 . . . . 51 GLU CA . 26664 1 179 . 1 1 51 51 GLU N N 15 121.306 0.45 . 1 . . . . 51 GLU N . 26664 1 180 . 1 1 52 52 ALA H H 1 8.25 0.04 . 1 . . . . 52 ALA H . 26664 1 181 . 1 1 52 52 ALA HA H 1 4.236 0.04 . 1 . . . . 52 ALA HA . 26664 1 182 . 1 1 52 52 ALA C C 13 176.951 0.45 . 1 . . . . 52 ALA C . 26664 1 183 . 1 1 52 52 ALA CA C 13 51.608 0.45 . 1 . . . . 52 ALA CA . 26664 1 184 . 1 1 52 52 ALA N N 15 123.713 0.45 . 1 . . . . 52 ALA N . 26664 1 185 . 1 1 53 53 GLN H H 1 8.183 0.04 . 1 . . . . 53 GLN H . 26664 1 186 . 1 1 53 53 GLN HA H 1 4.221 0.04 . 1 . . . . 53 GLN HA . 26664 1 187 . 1 1 53 53 GLN C C 13 177.114 0.45 . 1 . . . . 53 GLN C . 26664 1 188 . 1 1 53 53 GLN CA C 13 54.995 0.45 . 1 . . . . 53 GLN CA . 26664 1 189 . 1 1 53 53 GLN N N 15 119.217 0.45 . 1 . . . . 53 GLN N . 26664 1 190 . 1 1 54 54 MET CA C 13 54.764 0.45 . 1 . . . . 54 MET CA . 26664 1 191 . 1 1 55 55 ALA H H 1 8.166 0.04 . 1 . . . . 55 ALA H . 26664 1 192 . 1 1 55 55 ALA HA H 1 4.237 0.04 . 1 . . . . 55 ALA HA . 26664 1 193 . 1 1 55 55 ALA C C 13 176.897 0.45 . 1 . . . . 55 ALA C . 26664 1 194 . 1 1 55 55 ALA CA C 13 51.503 0.45 . 1 . . . . 55 ALA CA . 26664 1 195 . 1 1 55 55 ALA N N 15 123.946 0.45 . 1 . . . . 55 ALA N . 26664 1 196 . 1 1 56 56 ALA H H 1 8.024 0.04 . 1 . . . . 56 ALA H . 26664 1 197 . 1 1 56 56 ALA HA H 1 4.179 0.04 . 1 . . . . 56 ALA HA . 26664 1 198 . 1 1 56 56 ALA C C 13 175.411 0.45 . 1 . . . . 56 ALA C . 26664 1 199 . 1 1 56 56 ALA CA C 13 51.498 0.45 . 1 . . . . 56 ALA CA . 26664 1 200 . 1 1 56 56 ALA N N 15 122.456 0.45 . 1 . . . . 56 ALA N . 26664 1 201 . 1 1 57 57 ALA H H 1 7.993 0.04 . 1 . . . . 57 ALA H . 26664 1 202 . 1 1 57 57 ALA HA H 1 4.172 0.04 . 1 . . . . 57 ALA HA . 26664 1 203 . 1 1 57 57 ALA C C 13 175.309 0.45 . 1 . . . . 57 ALA C . 26664 1 204 . 1 1 57 57 ALA CA C 13 51.536 0.45 . 1 . . . . 57 ALA CA . 26664 1 205 . 1 1 57 57 ALA N N 15 121.642 0.45 . 1 . . . . 57 ALA N . 26664 1 206 . 1 1 58 58 ALA H H 1 8.006 0.04 . 1 . . . . 58 ALA H . 26664 1 207 . 1 1 58 58 ALA HA H 1 4.178 0.04 . 1 . . . . 58 ALA HA . 26664 1 208 . 1 1 58 58 ALA C C 13 175.14 0.45 . 1 . . . . 58 ALA C . 26664 1 209 . 1 1 58 58 ALA CA C 13 51.468 0.45 . 1 . . . . 58 ALA CA . 26664 1 210 . 1 1 58 58 ALA N N 15 122.048 0.45 . 1 . . . . 58 ALA N . 26664 1 211 . 1 1 59 59 ALA H H 1 7.858 0.04 . 1 . . . . 59 ALA H . 26664 1 212 . 1 1 59 59 ALA HA H 1 4.04 0.04 . 1 . . . . 59 ALA HA . 26664 1 213 . 1 1 59 59 ALA C C 13 175.662 0.45 . 1 . . . . 59 ALA C . 26664 1 214 . 1 1 59 59 ALA CA C 13 51.465 0.45 . 1 . . . . 59 ALA CA . 26664 1 215 . 1 1 59 59 ALA N N 15 121.318 0.45 . 1 . . . . 59 ALA N . 26664 1 216 . 1 1 60 60 LEU H H 1 7.779 0.04 . 1 . . . . 60 LEU H . 26664 1 217 . 1 1 60 60 LEU HA H 1 4.122 0.04 . 1 . . . . 60 LEU HA . 26664 1 218 . 1 1 60 60 LEU C C 13 178.245 0.45 . 1 . . . . 60 LEU C . 26664 1 219 . 1 1 60 60 LEU CA C 13 53.918 0.45 . 1 . . . . 60 LEU CA . 26664 1 220 . 1 1 60 60 LEU N N 15 119.723 0.45 . 1 . . . . 60 LEU N . 26664 1 221 . 1 1 61 61 ALA H H 1 7.832 0.04 . 1 . . . . 61 ALA H . 26664 1 222 . 1 1 61 61 ALA HA H 1 4.155 0.04 . 1 . . . . 61 ALA HA . 26664 1 223 . 1 1 61 61 ALA C C 13 176.4 0.45 . 1 . . . . 61 ALA C . 26664 1 224 . 1 1 61 61 ALA CA C 13 51.137 0.45 . 1 . . . . 61 ALA CA . 26664 1 225 . 1 1 61 61 ALA N N 15 122.234 0.45 . 1 . . . . 61 ALA N . 26664 1 226 . 1 1 62 62 ARG H H 1 7.773 0.04 . 1 . . . . 62 ARG H . 26664 1 227 . 1 1 62 62 ARG HA H 1 4.135 0.04 . 1 . . . . 62 ARG HA . 26664 1 228 . 1 1 62 62 ARG C C 13 175.806 0.45 . 1 . . . . 62 ARG C . 26664 1 229 . 1 1 62 62 ARG CA C 13 54.828 0.45 . 1 . . . . 62 ARG CA . 26664 1 230 . 1 1 62 62 ARG N N 15 117.945 0.45 . 1 . . . . 62 ARG N . 26664 1 231 . 1 1 63 63 LEU H H 1 7.814 0.04 . 1 . . . . 63 LEU H . 26664 1 232 . 1 1 63 63 LEU HA H 1 4.16 0.04 . 1 . . . . 63 LEU HA . 26664 1 233 . 1 1 63 63 LEU C C 13 177.419 0.45 . 1 . . . . 63 LEU C . 26664 1 234 . 1 1 63 63 LEU CA C 13 53.545 0.45 . 1 . . . . 63 LEU CA . 26664 1 235 . 1 1 63 63 LEU N N 15 121.475 0.45 . 1 . . . . 63 LEU N . 26664 1 236 . 1 1 64 64 GLU H H 1 8.155 0.04 . 1 . . . . 64 GLU H . 26664 1 237 . 1 1 64 64 GLU HA H 1 4.161 0.04 . 1 . . . . 64 GLU HA . 26664 1 238 . 1 1 64 64 GLU CA C 13 54.7 0.45 . 1 . . . . 64 GLU CA . 26664 1 239 . 1 1 64 64 GLU N N 15 120.291 0.45 . 1 . . . . 64 GLU N . 26664 1 240 . 1 1 65 65 GLN H H 1 8.088 0.04 . 1 . . . . 65 GLN H . 26664 1 241 . 1 1 65 65 GLN HA H 1 4.194 0.04 . 1 . . . . 65 GLN HA . 26664 1 242 . 1 1 65 65 GLN C C 13 177.522 0.45 . 1 . . . . 65 GLN C . 26664 1 243 . 1 1 65 65 GLN CA C 13 53.859 0.45 . 1 . . . . 65 GLN CA . 26664 1 244 . 1 1 65 65 GLN N N 15 120.347 0.45 . 1 . . . . 65 GLN N . 26664 1 245 . 1 1 66 66 LYS CA C 13 54.279 0.45 . 1 . . . . 66 LYS CA . 26664 1 246 . 1 1 67 67 GLN H H 1 8.248 0.04 . 1 . . . . 67 GLN H . 26664 1 247 . 1 1 67 67 GLN HA H 1 4.227 0.04 . 1 . . . . 67 GLN HA . 26664 1 248 . 1 1 67 67 GLN CA C 13 53.521 0.45 . 1 . . . . 67 GLN CA . 26664 1 249 . 1 1 67 67 GLN N N 15 120.298 0.45 . 1 . . . . 67 GLN N . 26664 1 250 . 1 1 68 68 SER H H 1 8.194 0.04 . 1 . . . . 68 SER H . 26664 1 251 . 1 1 68 68 SER HA H 1 4.314 0.04 . 1 . . . . 68 SER HA . 26664 1 252 . 1 1 68 68 SER C C 13 178.316 0.45 . 1 . . . . 68 SER C . 26664 1 253 . 1 1 68 68 SER CA C 13 55.953 0.45 . 1 . . . . 68 SER CA . 26664 1 254 . 1 1 68 68 SER N N 15 116.746 0.45 . 1 . . . . 68 SER N . 26664 1 255 . 1 1 69 69 ARG H H 1 8.195 0.04 . 1 . . . . 69 ARG H . 26664 1 256 . 1 1 69 69 ARG HA H 1 4.22 0.04 . 1 . . . . 69 ARG HA . 26664 1 257 . 1 1 69 69 ARG C C 13 177.286 0.45 . 1 . . . . 69 ARG C . 26664 1 258 . 1 1 69 69 ARG CA C 13 54.507 0.45 . 1 . . . . 69 ARG CA . 26664 1 259 . 1 1 69 69 ARG N N 15 120.484 0.45 . 1 . . . . 69 ARG N . 26664 1 260 . 1 1 70 70 ALA H H 1 8.099 0.04 . 1 . . . . 70 ALA H . 26664 1 261 . 1 1 70 70 ALA HA H 1 4.104 0.04 . 1 . . . . 70 ALA HA . 26664 1 262 . 1 1 70 70 ALA C C 13 179.678 0.45 . 1 . . . . 70 ALA C . 26664 1 263 . 1 1 70 70 ALA CA C 13 49.73 0.45 . 1 . . . . 70 ALA CA . 26664 1 264 . 1 1 70 70 ALA N N 15 124.644 0.45 . 1 . . . . 70 ALA N . 26664 1 265 . 1 1 71 71 TRP H H 1 7.983 0.04 . 1 . . . . 71 TRP H . 26664 1 266 . 1 1 71 71 TRP HA H 1 4.592 0.04 . 1 . . . . 71 TRP HA . 26664 1 267 . 1 1 71 71 TRP C C 13 177.548 0.45 . 1 . . . . 71 TRP C . 26664 1 268 . 1 1 71 71 TRP CA C 13 54.557 0.45 . 1 . . . . 71 TRP CA . 26664 1 269 . 1 1 71 71 TRP N N 15 120.372 0.45 . 1 . . . . 71 TRP N . 26664 1 270 . 1 1 72 72 GLY H H 1 7.904 0.04 . 1 . . . . 72 GLY H . 26664 1 271 . 1 1 72 72 GLY HA3 H 1 3.933 0.04 . 2 . . . . 72 GLY HA3 . 26664 1 272 . 1 1 72 72 GLY C C 13 178.57 0.45 . 1 . . . . 72 GLY C . 26664 1 273 . 1 1 72 72 GLY CA C 13 41.985 0.45 . 1 . . . . 72 GLY CA . 26664 1 274 . 1 1 72 72 GLY N N 15 110.682 0.45 . 1 . . . . 72 GLY N . 26664 1 275 . 1 1 73 73 PRO CA C 13 60.863 0.45 . 1 . . . . 73 PRO CA . 26664 1 276 . 1 1 74 74 THR H H 1 8.23 0.04 . 1 . . . . 74 THR H . 26664 1 277 . 1 1 74 74 THR HA H 1 4.386 0.04 . 1 . . . . 74 THR HA . 26664 1 278 . 1 1 74 74 THR C C 13 178.57 0.45 . 1 . . . . 74 THR C . 26664 1 279 . 1 1 74 74 THR CA C 13 59.136 0.45 . 1 . . . . 74 THR CA . 26664 1 280 . 1 1 74 74 THR N N 15 113.236 0.45 . 1 . . . . 74 THR N . 26664 1 281 . 1 1 75 75 SER H H 1 8.228 0.04 . 1 . . . . 75 SER H . 26664 1 282 . 1 1 75 75 SER HA H 1 4.63 0.04 . 1 . . . . 75 SER HA . 26664 1 283 . 1 1 75 75 SER C C 13 177.497 0.45 . 1 . . . . 75 SER C . 26664 1 284 . 1 1 75 75 SER CA C 13 56.158 0.45 . 1 . . . . 75 SER CA . 26664 1 285 . 1 1 75 75 SER N N 15 117.829 0.45 . 1 . . . . 75 SER N . 26664 1 286 . 1 1 77 77 ASP CA C 13 52.329 0.45 . 1 . . . . 77 ASP CA . 26664 1 287 . 1 1 78 78 THR H H 1 7.961 0.04 . 1 . . . . 78 THR H . 26664 1 288 . 1 1 78 78 THR HA H 1 4.239 0.04 . 1 . . . . 78 THR HA . 26664 1 289 . 1 1 78 78 THR C C 13 178.404 0.45 . 1 . . . . 78 THR C . 26664 1 290 . 1 1 78 78 THR CA C 13 60.135 0.45 . 1 . . . . 78 THR CA . 26664 1 291 . 1 1 78 78 THR N N 15 114.258 0.45 . 1 . . . . 78 THR N . 26664 1 292 . 1 1 79 79 ILE H H 1 7.957 0.04 . 1 . . . . 79 ILE H . 26664 1 293 . 1 1 79 79 ILE HA H 1 4.016 0.04 . 1 . . . . 79 ILE HA . 26664 1 294 . 1 1 79 79 ILE C C 13 179.968 0.45 . 1 . . . . 79 ILE C . 26664 1 295 . 1 1 79 79 ILE CA C 13 59.441 0.45 . 1 . . . . 79 ILE CA . 26664 1 296 . 1 1 79 79 ILE N N 15 122.73 0.45 . 1 . . . . 79 ILE N . 26664 1 297 . 1 1 80 80 ARG H H 1 8.198 0.04 . 1 . . . . 80 ARG H . 26664 1 298 . 1 1 80 80 ARG HA H 1 4.19 0.04 . 1 . . . . 80 ARG HA . 26664 1 299 . 1 1 80 80 ARG CA C 13 53.312 0.45 . 1 . . . . 80 ARG CA . 26664 1 300 . 1 1 80 80 ARG N N 15 123.464 0.45 . 1 . . . . 80 ARG N . 26664 1 301 . 1 1 81 81 ASN H H 1 8.217 0.04 . 1 . . . . 81 ASN H . 26664 1 302 . 1 1 81 81 ASN HA H 1 4.617 0.04 . 1 . . . . 81 ASN HA . 26664 1 303 . 1 1 81 81 ASN C C 13 177.147 0.45 . 1 . . . . 81 ASN C . 26664 1 304 . 1 1 81 81 ASN CA C 13 50.826 0.45 . 1 . . . . 81 ASN CA . 26664 1 305 . 1 1 81 81 ASN N N 15 118.78 0.45 . 1 . . . . 81 ASN N . 26664 1 306 . 1 1 82 82 GLN CA C 13 53.176 0.45 . 1 . . . . 82 GLN CA . 26664 1 307 . 1 1 83 83 VAL H H 1 8.081 0.04 . 1 . . . . 83 VAL H . 26664 1 308 . 1 1 83 83 VAL HA H 1 3.999 0.04 . 1 . . . . 83 VAL HA . 26664 1 309 . 1 1 83 83 VAL C C 13 178.597 0.45 . 1 . . . . 83 VAL C . 26664 1 310 . 1 1 83 83 VAL CA C 13 60.005 0.45 . 1 . . . . 83 VAL CA . 26664 1 311 . 1 1 83 83 VAL N N 15 121.485 0.45 . 1 . . . . 83 VAL N . 26664 1 312 . 1 1 84 84 ARG H H 1 8.286 0.04 . 1 . . . . 84 ARG H . 26664 1 313 . 1 1 84 84 ARG HA H 1 4.232 0.04 . 1 . . . . 84 ARG HA . 26664 1 314 . 1 1 84 84 ARG C C 13 178.488 0.45 . 1 . . . . 84 ARG C . 26664 1 315 . 1 1 84 84 ARG CA C 13 53.43 0.45 . 1 . . . . 84 ARG CA . 26664 1 316 . 1 1 84 84 ARG N N 15 124.942 0.45 . 1 . . . . 84 ARG N . 26664 1 317 . 1 1 85 85 LYS H H 1 8.321 0.04 . 1 . . . . 85 LYS H . 26664 1 318 . 1 1 85 85 LYS HA H 1 4.206 0.04 . 1 . . . . 85 LYS HA . 26664 1 319 . 1 1 85 85 LYS CA C 13 53.984 0.45 . 1 . . . . 85 LYS CA . 26664 1 320 . 1 1 85 85 LYS N N 15 123.496 0.45 . 1 . . . . 85 LYS N . 26664 1 321 . 1 1 86 86 GLU H H 1 8.522 0.04 . 1 . . . . 86 GLU H . 26664 1 322 . 1 1 86 86 GLU HA H 1 4.209 0.04 . 1 . . . . 86 GLU HA . 26664 1 323 . 1 1 86 86 GLU C C 13 178.462 0.45 . 1 . . . . 86 GLU C . 26664 1 324 . 1 1 86 86 GLU CA C 13 54.153 0.45 . 1 . . . . 86 GLU CA . 26664 1 325 . 1 1 86 86 GLU N N 15 121.72 0.45 . 1 . . . . 86 GLU N . 26664 1 326 . 1 1 87 87 LEU CA C 13 52.461 0.45 . 1 . . . . 87 LEU CA . 26664 1 327 . 1 1 88 88 GLN H H 1 8.209 0.04 . 1 . . . . 88 GLN H . 26664 1 328 . 1 1 88 88 GLN HA H 1 4.221 0.04 . 1 . . . . 88 GLN HA . 26664 1 329 . 1 1 88 88 GLN CA C 13 53.697 0.45 . 1 . . . . 88 GLN CA . 26664 1 330 . 1 1 88 88 GLN N N 15 120.863 0.45 . 1 . . . . 88 GLN N . 26664 1 331 . 1 1 89 89 ALA H H 1 8.231 0.04 . 1 . . . . 89 ALA H . 26664 1 332 . 1 1 89 89 ALA HA H 1 4.134 0.04 . 1 . . . . 89 ALA HA . 26664 1 333 . 1 1 89 89 ALA C C 13 180.122 0.45 . 1 . . . . 89 ALA C . 26664 1 334 . 1 1 89 89 ALA CA C 13 49.996 0.45 . 1 . . . . 89 ALA CA . 26664 1 335 . 1 1 89 89 ALA N N 15 125.306 0.45 . 1 . . . . 89 ALA N . 26664 1 336 . 1 1 90 90 GLU H H 1 8.311 0.04 . 1 . . . . 90 GLU H . 26664 1 337 . 1 1 90 90 GLU HA H 1 3.748 0.04 . 1 . . . . 90 GLU HA . 26664 1 338 . 1 1 90 90 GLU C C 13 176.972 0.45 . 1 . . . . 90 GLU C . 26664 1 339 . 1 1 90 90 GLU CA C 13 53.871 0.45 . 1 . . . . 90 GLU CA . 26664 1 340 . 1 1 90 90 GLU N N 15 120.024 0.45 . 1 . . . . 90 GLU N . 26664 1 341 . 1 1 91 91 ALA H H 1 8.238 0.04 . 1 . . . . 91 ALA H . 26664 1 342 . 1 1 91 91 ALA HA H 1 4.135 0.04 . 1 . . . . 91 ALA HA . 26664 1 343 . 1 1 91 91 ALA C C 13 178.477 0.45 . 1 . . . . 91 ALA C . 26664 1 344 . 1 1 91 91 ALA CA C 13 49.998 0.45 . 1 . . . . 91 ALA CA . 26664 1 345 . 1 1 91 91 ALA N N 15 124.86 0.45 . 1 . . . . 91 ALA N . 26664 1 346 . 1 1 92 92 THR H H 1 8.067 0.04 . 1 . . . . 92 THR H . 26664 1 347 . 1 1 92 92 THR HA H 1 4.334 0.04 . 1 . . . . 92 THR HA . 26664 1 348 . 1 1 92 92 THR C C 13 176.888 0.45 . 1 . . . . 92 THR C . 26664 1 349 . 1 1 92 92 THR CA C 13 59.33 0.45 . 1 . . . . 92 THR CA . 26664 1 350 . 1 1 92 92 THR N N 15 113.837 0.45 . 1 . . . . 92 THR N . 26664 1 351 . 1 1 93 93 VAL H H 1 8.124 0.04 . 1 . . . . 93 VAL H . 26664 1 352 . 1 1 93 93 VAL HA H 1 4.105 0.04 . 1 . . . . 93 VAL HA . 26664 1 353 . 1 1 93 93 VAL C C 13 178.877 0.45 . 1 . . . . 93 VAL C . 26664 1 354 . 1 1 93 93 VAL CA C 13 59.573 0.45 . 1 . . . . 93 VAL CA . 26664 1 355 . 1 1 93 93 VAL N N 15 122.436 0.45 . 1 . . . . 93 VAL N . 26664 1 356 . 1 1 94 94 SER H H 1 8.355 0.04 . 1 . . . . 94 SER H . 26664 1 357 . 1 1 94 94 SER HA H 1 4.238 0.04 . 1 . . . . 94 SER HA . 26664 1 358 . 1 1 94 94 SER C C 13 178.54 0.45 . 1 . . . . 94 SER C . 26664 1 359 . 1 1 94 94 SER CA C 13 55.839 0.45 . 1 . . . . 94 SER CA . 26664 1 360 . 1 1 94 94 SER N N 15 119.575 0.45 . 1 . . . . 94 SER N . 26664 1 361 . 1 1 95 95 GLY H H 1 8.328 0.04 . 1 . . . . 95 GLY H . 26664 1 362 . 1 1 95 95 GLY HA3 H 1 3.947 0.04 . 2 . . . . 95 GLY HA3 . 26664 1 363 . 1 1 95 95 GLY C C 13 179.773 0.45 . 1 . . . . 95 GLY C . 26664 1 364 . 1 1 95 95 GLY CA C 13 42.414 0.45 . 1 . . . . 95 GLY CA . 26664 1 365 . 1 1 95 95 GLY N N 15 111.119 0.45 . 1 . . . . 95 GLY N . 26664 1 366 . 1 1 96 96 SER H H 1 8.145 0.04 . 1 . . . . 96 SER H . 26664 1 367 . 1 1 96 96 SER HA H 1 4.728 0.04 . 1 . . . . 96 SER HA . 26664 1 368 . 1 1 96 96 SER C C 13 180.984 0.45 . 1 . . . . 96 SER C . 26664 1 369 . 1 1 96 96 SER CA C 13 53.636 0.45 . 1 . . . . 96 SER CA . 26664 1 370 . 1 1 96 96 SER N N 15 116.862 0.45 . 1 . . . . 96 SER N . 26664 1 371 . 1 1 97 97 PRO CA C 13 60.63 0.45 . 1 . . . . 97 PRO CA . 26664 1 372 . 1 1 98 98 GLU H H 1 8.342 0.04 . 1 . . . . 98 GLU H . 26664 1 373 . 1 1 98 98 GLU HA H 1 4.185 0.04 . 1 . . . . 98 GLU HA . 26664 1 374 . 1 1 98 98 GLU C C 13 177.005 0.45 . 1 . . . . 98 GLU C . 26664 1 375 . 1 1 98 98 GLU CA C 13 53.587 0.45 . 1 . . . . 98 GLU CA . 26664 1 376 . 1 1 98 98 GLU N N 15 120.488 0.45 . 1 . . . . 98 GLU N . 26664 1 377 . 1 1 99 99 ALA H H 1 8.202 0.04 . 1 . . . . 99 ALA H . 26664 1 378 . 1 1 99 99 ALA HA H 1 4.532 0.04 . 1 . . . . 99 ALA HA . 26664 1 379 . 1 1 99 99 ALA C C 13 178.841 0.45 . 1 . . . . 99 ALA C . 26664 1 380 . 1 1 99 99 ALA CA C 13 47.717 0.45 . 1 . . . . 99 ALA CA . 26664 1 381 . 1 1 99 99 ALA N N 15 126.325 0.45 . 1 . . . . 99 ALA N . 26664 1 382 . 1 1 100 100 PRO CA C 13 60.791 0.45 . 1 . . . . 100 PRO CA . 26664 1 383 . 1 1 101 101 GLY H H 1 8.431 0.04 . 1 . . . . 101 GLY H . 26664 1 384 . 1 1 101 101 GLY HA3 H 1 3.944 0.04 . 2 . . . . 101 GLY HA3 . 26664 1 385 . 1 1 101 101 GLY C C 13 177.048 0.45 . 1 . . . . 101 GLY C . 26664 1 386 . 1 1 101 101 GLY CA C 13 42.551 0.45 . 1 . . . . 101 GLY CA . 26664 1 387 . 1 1 101 101 GLY N N 15 109.133 0.45 . 1 . . . . 101 GLY N . 26664 1 388 . 1 1 102 102 THR H H 1 7.933 0.04 . 1 . . . . 102 THR H . 26664 1 389 . 1 1 102 102 THR HA H 1 4.282 0.04 . 1 . . . . 102 THR HA . 26664 1 390 . 1 1 102 102 THR C C 13 180.32 0.45 . 1 . . . . 102 THR C . 26664 1 391 . 1 1 102 102 THR CA C 13 59.407 0.45 . 1 . . . . 102 THR CA . 26664 1 392 . 1 1 102 102 THR N N 15 113.275 0.45 . 1 . . . . 102 THR N . 26664 1 393 . 1 1 103 103 ASN H H 1 8.461 0.04 . 1 . . . . 103 ASN H . 26664 1 394 . 1 1 103 103 ASN HA H 1 4.691 0.04 . 1 . . . . 103 ASN HA . 26664 1 395 . 1 1 103 103 ASN C C 13 180.463 0.45 . 1 . . . . 103 ASN C . 26664 1 396 . 1 1 103 103 ASN CA C 13 50.519 0.45 . 1 . . . . 103 ASN CA . 26664 1 397 . 1 1 103 103 ASN N N 15 121.322 0.45 . 1 . . . . 103 ASN N . 26664 1 398 . 1 1 104 104 VAL H H 1 8.027 0.04 . 1 . . . . 104 VAL H . 26664 1 399 . 1 1 104 104 VAL HA H 1 4.07 0.04 . 1 . . . . 104 VAL HA . 26664 1 400 . 1 1 104 104 VAL C C 13 179.95 0.45 . 1 . . . . 104 VAL C . 26664 1 401 . 1 1 104 104 VAL CA C 13 59.69 0.45 . 1 . . . . 104 VAL CA . 26664 1 402 . 1 1 104 104 VAL N N 15 120.944 0.45 . 1 . . . . 104 VAL N . 26664 1 403 . 1 1 105 105 VAL H H 1 8.218 0.04 . 1 . . . . 105 VAL H . 26664 1 404 . 1 1 105 105 VAL HA H 1 4.134 0.04 . 1 . . . . 105 VAL HA . 26664 1 405 . 1 1 105 105 VAL C C 13 178.662 0.45 . 1 . . . . 105 VAL C . 26664 1 406 . 1 1 105 105 VAL CA C 13 59.534 0.45 . 1 . . . . 105 VAL CA . 26664 1 407 . 1 1 105 105 VAL N N 15 124.663 0.45 . 1 . . . . 105 VAL N . 26664 1 408 . 1 1 106 106 SER H H 1 8.309 0.04 . 1 . . . . 106 SER H . 26664 1 409 . 1 1 106 106 SER HA H 1 4.187 0.04 . 1 . . . . 106 SER HA . 26664 1 410 . 1 1 106 106 SER C C 13 178.736 0.45 . 1 . . . . 106 SER C . 26664 1 411 . 1 1 106 106 SER CA C 13 55.433 0.45 . 1 . . . . 106 SER CA . 26664 1 412 . 1 1 106 106 SER N N 15 120.239 0.45 . 1 . . . . 106 SER N . 26664 1 413 . 1 1 107 107 GLU H H 1 8.293 0.04 . 1 . . . . 107 GLU H . 26664 1 414 . 1 1 107 107 GLU HA H 1 4.528 0.04 . 1 . . . . 107 GLU HA . 26664 1 415 . 1 1 107 107 GLU C C 13 180.822 0.45 . 1 . . . . 107 GLU C . 26664 1 416 . 1 1 107 107 GLU CA C 13 51.674 0.45 . 1 . . . . 107 GLU CA . 26664 1 417 . 1 1 107 107 GLU N N 15 124.234 0.45 . 1 . . . . 107 GLU N . 26664 1 418 . 1 1 108 108 PRO CA C 13 60.567 0.45 . 1 . . . . 108 PRO CA . 26664 1 419 . 1 1 109 109 ARG H H 1 8.385 0.04 . 1 . . . . 109 ARG H . 26664 1 420 . 1 1 109 109 ARG HA H 1 4.288 0.04 . 1 . . . . 109 ARG HA . 26664 1 421 . 1 1 109 109 ARG C C 13 177.912 0.45 . 1 . . . . 109 ARG C . 26664 1 422 . 1 1 109 109 ARG CA C 13 53.038 0.45 . 1 . . . . 109 ARG CA . 26664 1 423 . 1 1 109 109 ARG N N 15 121.667 0.45 . 1 . . . . 109 ARG N . 26664 1 424 . 1 1 110 110 GLU H H 1 8.443 0.04 . 1 . . . . 110 GLU H . 26664 1 425 . 1 1 110 110 GLU HA H 1 4.233 0.04 . 1 . . . . 110 GLU HA . 26664 1 426 . 1 1 110 110 GLU C C 13 178.501 0.45 . 1 . . . . 110 GLU C . 26664 1 427 . 1 1 110 110 GLU CA C 13 53.497 0.45 . 1 . . . . 110 GLU CA . 26664 1 428 . 1 1 110 110 GLU N N 15 122.6 0.45 . 1 . . . . 110 GLU N . 26664 1 429 . 1 1 111 111 GLU H H 1 8.53 0.04 . 1 . . . . 111 GLU H . 26664 1 430 . 1 1 111 111 GLU HA H 1 4.228 0.04 . 1 . . . . 111 GLU HA . 26664 1 431 . 1 1 111 111 GLU C C 13 178.177 0.45 . 1 . . . . 111 GLU C . 26664 1 432 . 1 1 111 111 GLU CA C 13 54.137 0.45 . 1 . . . . 111 GLU CA . 26664 1 433 . 1 1 111 111 GLU N N 15 122.961 0.45 . 1 . . . . 111 GLU N . 26664 1 434 . 1 1 112 112 GLY H H 1 8.462 0.04 . 1 . . . . 112 GLY H . 26664 1 435 . 1 1 112 112 GLY HA3 H 1 3.947 0.04 . 2 . . . . 112 GLY HA3 . 26664 1 436 . 1 1 112 112 GLY C C 13 177.547 0.45 . 1 . . . . 112 GLY C . 26664 1 437 . 1 1 112 112 GLY CA C 13 42.777 0.45 . 1 . . . . 112 GLY CA . 26664 1 438 . 1 1 112 112 GLY N N 15 110.171 0.45 . 1 . . . . 112 GLY N . 26664 1 439 . 1 1 113 113 SER H H 1 8.115 0.04 . 1 . . . . 113 SER H . 26664 1 440 . 1 1 113 113 SER HA H 1 4.368 0.04 . 1 . . . . 113 SER HA . 26664 1 441 . 1 1 113 113 SER C C 13 180.298 0.45 . 1 . . . . 113 SER C . 26664 1 442 . 1 1 113 113 SER CA C 13 55.781 0.45 . 1 . . . . 113 SER CA . 26664 1 443 . 1 1 113 113 SER N N 15 115.29 0.45 . 1 . . . . 113 SER N . 26664 1 444 . 1 1 114 114 ALA H H 1 8.25 0.04 . 1 . . . . 114 ALA H . 26664 1 445 . 1 1 114 114 ALA HA H 1 4.247 0.04 . 1 . . . . 114 ALA HA . 26664 1 446 . 1 1 114 114 ALA C C 13 179.086 0.45 . 1 . . . . 114 ALA C . 26664 1 447 . 1 1 114 114 ALA CA C 13 49.84 0.45 . 1 . . . . 114 ALA CA . 26664 1 448 . 1 1 114 114 ALA N N 15 125.574 0.45 . 1 . . . . 114 ALA N . 26664 1 449 . 1 1 115 115 HIS CA C 13 53.965 0.45 . 1 . . . . 115 HIS CA . 26664 1 450 . 1 1 116 116 LEU H H 1 8.146 0.04 . 1 . . . . 116 LEU H . 26664 1 451 . 1 1 116 116 LEU HA H 1 4.227 0.04 . 1 . . . . 116 LEU HA . 26664 1 452 . 1 1 116 116 LEU C C 13 180.205 0.45 . 1 . . . . 116 LEU C . 26664 1 453 . 1 1 116 116 LEU CA C 13 52.656 0.45 . 1 . . . . 116 LEU CA . 26664 1 454 . 1 1 116 116 LEU N N 15 122.673 0.45 . 1 . . . . 116 LEU N . 26664 1 455 . 1 1 117 117 ALA H H 1 8.132 0.04 . 1 . . . . 117 ALA H . 26664 1 456 . 1 1 117 117 ALA HA H 1 4.257 0.04 . 1 . . . . 117 ALA HA . 26664 1 457 . 1 1 117 117 ALA C C 13 178.081 0.45 . 1 . . . . 117 ALA C . 26664 1 458 . 1 1 117 117 ALA CA C 13 49.751 0.45 . 1 . . . . 117 ALA CA . 26664 1 459 . 1 1 117 117 ALA N N 15 125.225 0.45 . 1 . . . . 117 ALA N . 26664 1 460 . 1 1 119 119 PRO CA C 13 60.888 0.45 . 1 . . . . 119 PRO CA . 26664 1 461 . 1 1 120 120 GLY H H 1 8.295 0.04 . 1 . . . . 120 GLY H . 26664 1 462 . 1 1 120 120 GLY HA3 H 1 3.85 0.04 . 2 . . . . 120 GLY HA3 . 26664 1 463 . 1 1 120 120 GLY C C 13 177.373 0.45 . 1 . . . . 120 GLY C . 26664 1 464 . 1 1 120 120 GLY CA C 13 42.592 0.45 . 1 . . . . 120 GLY CA . 26664 1 465 . 1 1 120 120 GLY N N 15 109.077 0.45 . 1 . . . . 120 GLY N . 26664 1 stop_ save_