data_26915 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26915 _Entry.Title ; Backbone Chemical Shift of Spy (Spheroplast protein Y) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-06 _Entry.Accession_date 2016-10-06 _Entry.Last_release_date 2016-10-06 _Entry.Original_release_date 2016-10-06 _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 . _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 Lichun He . . . . 26915 2 Sebastian Hiller . . . . 26915 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26915 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 26915 '15N chemical shifts' 126 26915 '1H chemical shifts' 126 26915 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 1 . . 2017-05-23 . original BMRB . 26915 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26915 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28138538 _Citation.Full_citation . _Citation.Title ; A molecular mechanism of chaperone-client recognition ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science Advances' _Citation.Journal_volume 2 _Citation.Journal_issue 11 _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 e1601625 _Citation.Page_last e1601625 _Citation.Year 2016 _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 Lichun He . . . . 26915 1 2 Timothy Sharpe . . . . 26915 1 3 Adam Mazur . . . . 26915 1 4 Sebastian Hiller . . . . 26915 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26915 _Assembly.ID 1 _Assembly.Name Spy _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 Spy 1 $Spy A . yes native no no . . . 26915 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Spy _Entity.Sf_category entity _Entity.Sf_framecode Spy _Entity.Entry_ID 26915 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Spy _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 ; ADTTTAAPADAKPMMHHKGK FGPHQDMMFKDLNLTDAQKQ QIREIMKGQRDQMKRPPLEE RRAMHDIITSDTFDKVKAEA QIAKMEEQRKANMLAHMETQ NKIYNILTPEQKKQFNANFE KRLTERPAAKGKMPATAE ; _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 138 _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 . ALA . 26915 1 2 . ASP . 26915 1 3 . THR . 26915 1 4 . THR . 26915 1 5 . THR . 26915 1 6 . ALA . 26915 1 7 . ALA . 26915 1 8 . PRO . 26915 1 9 . ALA . 26915 1 10 . ASP . 26915 1 11 . ALA . 26915 1 12 . LYS . 26915 1 13 . PRO . 26915 1 14 . MET . 26915 1 15 . MET . 26915 1 16 . HIS . 26915 1 17 . HIS . 26915 1 18 . LYS . 26915 1 19 . GLY . 26915 1 20 . LYS . 26915 1 21 . PHE . 26915 1 22 . GLY . 26915 1 23 . PRO . 26915 1 24 . HIS . 26915 1 25 . GLN . 26915 1 26 . ASP . 26915 1 27 . MET . 26915 1 28 . MET . 26915 1 29 . PHE . 26915 1 30 . LYS . 26915 1 31 . ASP . 26915 1 32 . LEU . 26915 1 33 . ASN . 26915 1 34 . LEU . 26915 1 35 . THR . 26915 1 36 . ASP . 26915 1 37 . ALA . 26915 1 38 . GLN . 26915 1 39 . LYS . 26915 1 40 . GLN . 26915 1 41 . GLN . 26915 1 42 . ILE . 26915 1 43 . ARG . 26915 1 44 . GLU . 26915 1 45 . ILE . 26915 1 46 . MET . 26915 1 47 . LYS . 26915 1 48 . GLY . 26915 1 49 . GLN . 26915 1 50 . ARG . 26915 1 51 . ASP . 26915 1 52 . GLN . 26915 1 53 . MET . 26915 1 54 . LYS . 26915 1 55 . ARG . 26915 1 56 . PRO . 26915 1 57 . PRO . 26915 1 58 . LEU . 26915 1 59 . GLU . 26915 1 60 . GLU . 26915 1 61 . ARG . 26915 1 62 . ARG . 26915 1 63 . ALA . 26915 1 64 . MET . 26915 1 65 . HIS . 26915 1 66 . ASP . 26915 1 67 . ILE . 26915 1 68 . ILE . 26915 1 69 . THR . 26915 1 70 . SER . 26915 1 71 . ASP . 26915 1 72 . THR . 26915 1 73 . PHE . 26915 1 74 . ASP . 26915 1 75 . LYS . 26915 1 76 . VAL . 26915 1 77 . LYS . 26915 1 78 . ALA . 26915 1 79 . GLU . 26915 1 80 . ALA . 26915 1 81 . GLN . 26915 1 82 . ILE . 26915 1 83 . ALA . 26915 1 84 . LYS . 26915 1 85 . MET . 26915 1 86 . GLU . 26915 1 87 . GLU . 26915 1 88 . GLN . 26915 1 89 . ARG . 26915 1 90 . LYS . 26915 1 91 . ALA . 26915 1 92 . ASN . 26915 1 93 . MET . 26915 1 94 . LEU . 26915 1 95 . ALA . 26915 1 96 . HIS . 26915 1 97 . MET . 26915 1 98 . GLU . 26915 1 99 . THR . 26915 1 100 . GLN . 26915 1 101 . ASN . 26915 1 102 . LYS . 26915 1 103 . ILE . 26915 1 104 . TYR . 26915 1 105 . ASN . 26915 1 106 . ILE . 26915 1 107 . LEU . 26915 1 108 . THR . 26915 1 109 . PRO . 26915 1 110 . GLU . 26915 1 111 . GLN . 26915 1 112 . LYS . 26915 1 113 . LYS . 26915 1 114 . GLN . 26915 1 115 . PHE . 26915 1 116 . ASN . 26915 1 117 . ALA . 26915 1 118 . ASN . 26915 1 119 . PHE . 26915 1 120 . GLU . 26915 1 121 . LYS . 26915 1 122 . ARG . 26915 1 123 . LEU . 26915 1 124 . THR . 26915 1 125 . GLU . 26915 1 126 . ARG . 26915 1 127 . PRO . 26915 1 128 . ALA . 26915 1 129 . ALA . 26915 1 130 . LYS . 26915 1 131 . GLY . 26915 1 132 . LYS . 26915 1 133 . MET . 26915 1 134 . PRO . 26915 1 135 . ALA . 26915 1 136 . THR . 26915 1 137 . ALA . 26915 1 138 . GLU . 26915 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 . ALA 1 1 26915 1 . ASP 2 2 26915 1 . THR 3 3 26915 1 . THR 4 4 26915 1 . THR 5 5 26915 1 . ALA 6 6 26915 1 . ALA 7 7 26915 1 . PRO 8 8 26915 1 . ALA 9 9 26915 1 . ASP 10 10 26915 1 . ALA 11 11 26915 1 . LYS 12 12 26915 1 . PRO 13 13 26915 1 . MET 14 14 26915 1 . MET 15 15 26915 1 . HIS 16 16 26915 1 . HIS 17 17 26915 1 . LYS 18 18 26915 1 . GLY 19 19 26915 1 . LYS 20 20 26915 1 . PHE 21 21 26915 1 . GLY 22 22 26915 1 . PRO 23 23 26915 1 . HIS 24 24 26915 1 . GLN 25 25 26915 1 . ASP 26 26 26915 1 . MET 27 27 26915 1 . MET 28 28 26915 1 . PHE 29 29 26915 1 . LYS 30 30 26915 1 . ASP 31 31 26915 1 . LEU 32 32 26915 1 . ASN 33 33 26915 1 . LEU 34 34 26915 1 . THR 35 35 26915 1 . ASP 36 36 26915 1 . ALA 37 37 26915 1 . GLN 38 38 26915 1 . LYS 39 39 26915 1 . GLN 40 40 26915 1 . GLN 41 41 26915 1 . ILE 42 42 26915 1 . ARG 43 43 26915 1 . GLU 44 44 26915 1 . ILE 45 45 26915 1 . MET 46 46 26915 1 . LYS 47 47 26915 1 . GLY 48 48 26915 1 . GLN 49 49 26915 1 . ARG 50 50 26915 1 . ASP 51 51 26915 1 . GLN 52 52 26915 1 . MET 53 53 26915 1 . LYS 54 54 26915 1 . ARG 55 55 26915 1 . PRO 56 56 26915 1 . PRO 57 57 26915 1 . LEU 58 58 26915 1 . GLU 59 59 26915 1 . GLU 60 60 26915 1 . ARG 61 61 26915 1 . ARG 62 62 26915 1 . ALA 63 63 26915 1 . MET 64 64 26915 1 . HIS 65 65 26915 1 . ASP 66 66 26915 1 . ILE 67 67 26915 1 . ILE 68 68 26915 1 . THR 69 69 26915 1 . SER 70 70 26915 1 . ASP 71 71 26915 1 . THR 72 72 26915 1 . PHE 73 73 26915 1 . ASP 74 74 26915 1 . LYS 75 75 26915 1 . VAL 76 76 26915 1 . LYS 77 77 26915 1 . ALA 78 78 26915 1 . GLU 79 79 26915 1 . ALA 80 80 26915 1 . GLN 81 81 26915 1 . ILE 82 82 26915 1 . ALA 83 83 26915 1 . LYS 84 84 26915 1 . MET 85 85 26915 1 . GLU 86 86 26915 1 . GLU 87 87 26915 1 . GLN 88 88 26915 1 . ARG 89 89 26915 1 . LYS 90 90 26915 1 . ALA 91 91 26915 1 . ASN 92 92 26915 1 . MET 93 93 26915 1 . LEU 94 94 26915 1 . ALA 95 95 26915 1 . HIS 96 96 26915 1 . MET 97 97 26915 1 . GLU 98 98 26915 1 . THR 99 99 26915 1 . GLN 100 100 26915 1 . ASN 101 101 26915 1 . LYS 102 102 26915 1 . ILE 103 103 26915 1 . TYR 104 104 26915 1 . ASN 105 105 26915 1 . ILE 106 106 26915 1 . LEU 107 107 26915 1 . THR 108 108 26915 1 . PRO 109 109 26915 1 . GLU 110 110 26915 1 . GLN 111 111 26915 1 . LYS 112 112 26915 1 . LYS 113 113 26915 1 . GLN 114 114 26915 1 . PHE 115 115 26915 1 . ASN 116 116 26915 1 . ALA 117 117 26915 1 . ASN 118 118 26915 1 . PHE 119 119 26915 1 . GLU 120 120 26915 1 . LYS 121 121 26915 1 . ARG 122 122 26915 1 . LEU 123 123 26915 1 . THR 124 124 26915 1 . GLU 125 125 26915 1 . ARG 126 126 26915 1 . PRO 127 127 26915 1 . ALA 128 128 26915 1 . ALA 129 129 26915 1 . LYS 130 130 26915 1 . GLY 131 131 26915 1 . LYS 132 132 26915 1 . MET 133 133 26915 1 . PRO 134 134 26915 1 . ALA 135 135 26915 1 . THR 136 136 26915 1 . ALA 137 137 26915 1 . GLU 138 138 26915 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 26915 _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 $Spy . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26915 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 26915 _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 $Spy . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21a . . . 26915 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26915 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Spy '[U-99% 13C; U-99% 15N]' . . 1 $Spy . . 1 . . mM . . . . 26915 1 2 'NaP buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 26915 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 26915 _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 26915 1 pH 6.5 . pH 26915 1 pressure 1 . atm 26915 1 temperature 298 . K 26915 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26915 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26915 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26915 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 26915 _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 26915 _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 . . . 26915 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 26915 _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 . . . . . . . . . . . . . . . . 26915 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26915 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26915 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26915 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 26915 _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 internal indirect 0.25144953 . . . . . 26915 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26915 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329 . . . . . 26915 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 26915 _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' . . . 26915 1 2 '3D HNCACB' . . . 26915 1 3 '3D HNCA' . . . 26915 1 4 '3D HNCO' . . . 26915 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 ALA H H 1 8.405 0.002 . 1 . . . . 1 ALA HN . 26915 1 2 . 1 1 1 1 ALA C C 13 177.395 0.3 . 1 . . . . 1 ALA C . 26915 1 3 . 1 1 1 1 ALA CA C 13 51.980 0.3 . 1 . . . . 1 ALA CA . 26915 1 4 . 1 1 1 1 ALA CB C 13 18.077 0.3 . 1 . . . . 1 ALA CB . 26915 1 5 . 1 1 1 1 ALA N N 15 125.953 0.033 . 1 . . . . 1 ALA N . 26915 1 6 . 1 1 2 2 ASP H H 1 8.066 0.001 . 1 . . . . 2 ASP HN . 26915 1 7 . 1 1 2 2 ASP C C 13 176.571 0.3 . 1 . . . . 2 ASP C . 26915 1 8 . 1 1 2 2 ASP CA C 13 53.919 0.3 . 1 . . . . 2 ASP CA . 26915 1 9 . 1 1 2 2 ASP CB C 13 40.346 0.3 . 1 . . . . 2 ASP CB . 26915 1 10 . 1 1 2 2 ASP N N 15 119.680 0.016 . 1 . . . . 2 ASP N . 26915 1 11 . 1 1 3 3 THR H H 1 8.005 0.002 . 1 . . . . 3 THR HN . 26915 1 12 . 1 1 3 3 THR C C 13 174.887 0.3 . 1 . . . . 3 THR C . 26915 1 13 . 1 1 3 3 THR CA C 13 61.357 0.3 . 1 . . . . 3 THR CA . 26915 1 14 . 1 1 3 3 THR CB C 13 68.959 0.3 . 1 . . . . 3 THR CB . 26915 1 15 . 1 1 3 3 THR N N 15 114.607 0.015 . 1 . . . . 3 THR N . 26915 1 16 . 1 1 4 4 THR H H 1 8.126 0.001 . 1 . . . . 4 THR HN . 26915 1 17 . 1 1 4 4 THR C C 13 174.680 0.3 . 1 . . . . 4 THR C . 26915 1 18 . 1 1 4 4 THR CA C 13 61.645 0.3 . 1 . . . . 4 THR CA . 26915 1 19 . 1 1 4 4 THR CB C 13 69.106 0.3 . 1 . . . . 4 THR CB . 26915 1 20 . 1 1 4 4 THR N N 15 116.891 0.017 . 1 . . . . 4 THR N . 26915 1 21 . 1 1 5 5 THR H H 1 8.002 0.001 . 1 . . . . 5 THR HN . 26915 1 22 . 1 1 5 5 THR C C 13 173.936 0.3 . 1 . . . . 5 THR C . 26915 1 23 . 1 1 5 5 THR CA C 13 61.319 0.3 . 1 . . . . 5 THR CA . 26915 1 24 . 1 1 5 5 THR CB C 13 69.106 0.3 . 1 . . . . 5 THR CB . 26915 1 25 . 1 1 5 5 THR N N 15 117.236 0.017 . 1 . . . . 5 THR N . 26915 1 26 . 1 1 6 6 ALA H H 1 8.110 0.001 . 1 . . . . 6 ALA HN . 26915 1 27 . 1 1 6 6 ALA C C 13 176.858 0.3 . 1 . . . . 6 ALA C . 26915 1 28 . 1 1 6 6 ALA CA C 13 51.597 0.3 . 1 . . . . 6 ALA CA . 26915 1 29 . 1 1 6 6 ALA CB C 13 18.280 0.3 . 1 . . . . 6 ALA CB . 26915 1 30 . 1 1 6 6 ALA N N 15 127.369 0.018 . 1 . . . . 6 ALA N . 26915 1 31 . 1 1 7 7 ALA H H 1 8.163 0.001 . 1 . . . . 7 ALA HN . 26915 1 32 . 1 1 7 7 ALA C C 13 175.570 0.3 . 1 . . . . 7 ALA C . 26915 1 33 . 1 1 7 7 ALA CA C 13 49.796 0.3 . 1 . . . . 7 ALA CA . 26915 1 34 . 1 1 7 7 ALA CB C 13 16.975 0.3 . 1 . . . . 7 ALA CB . 26915 1 35 . 1 1 7 7 ALA N N 15 125.612 0.018 . 1 . . . . 7 ALA N . 26915 1 36 . 1 1 9 9 ALA H H 1 8.284 0.001 . 1 . . . . 9 ALA HN . 26915 1 37 . 1 1 9 9 ALA C C 13 177.603 0.3 . 1 . . . . 9 ALA C . 26915 1 38 . 1 1 9 9 ALA CA C 13 52.133 0.3 . 1 . . . . 9 ALA CA . 26915 1 39 . 1 1 9 9 ALA CB C 13 18.081 0.3 . 1 . . . . 9 ALA CB . 26915 1 40 . 1 1 9 9 ALA N N 15 124.370 0.023 . 1 . . . . 9 ALA N . 26915 1 41 . 1 1 10 10 ASP H H 1 8.075 0.003 . 1 . . . . 10 ASP HN . 26915 1 42 . 1 1 10 10 ASP C C 13 175.761 0.3 . 1 . . . . 10 ASP C . 26915 1 43 . 1 1 10 10 ASP CA C 13 53.661 0.3 . 1 . . . . 10 ASP CA . 26915 1 44 . 1 1 10 10 ASP CB C 13 40.273 0.3 . 1 . . . . 10 ASP CB . 26915 1 45 . 1 1 10 10 ASP N N 15 119.254 0.039 . 1 . . . . 10 ASP N . 26915 1 46 . 1 1 11 11 ALA H H 1 7.912 0.003 . 1 . . . . 11 ALA HN . 26915 1 47 . 1 1 11 11 ALA C C 13 177.324 0.3 . 1 . . . . 11 ALA C . 26915 1 48 . 1 1 11 11 ALA CA C 13 51.756 0.3 . 1 . . . . 11 ALA CA . 26915 1 49 . 1 1 11 11 ALA CB C 13 18.228 0.3 . 1 . . . . 11 ALA CB . 26915 1 50 . 1 1 11 11 ALA N N 15 124.472 0.021 . 1 . . . . 11 ALA N . 26915 1 51 . 1 1 12 12 LYS H H 1 8.099 0.005 . 1 . . . . 12 LYS HN . 26915 1 52 . 1 1 12 12 LYS C C 13 174.470 0.3 . 1 . . . . 12 LYS C . 26915 1 53 . 1 1 12 12 LYS CA C 13 53.864 0.3 . 1 . . . . 12 LYS CA . 26915 1 54 . 1 1 12 12 LYS CB C 13 31.078 0.3 . 1 . . . . 12 LYS CB . 26915 1 55 . 1 1 12 12 LYS N N 15 122.309 0.064 . 1 . . . . 12 LYS N . 26915 1 56 . 1 1 14 14 MET H H 1 8.302 0.002 . 1 . . . . 14 MET HN . 26915 1 57 . 1 1 14 14 MET C C 13 176.107 0.3 . 1 . . . . 14 MET C . 26915 1 58 . 1 1 14 14 MET CA C 13 54.970 0.3 . 1 . . . . 14 MET CA . 26915 1 59 . 1 1 14 14 MET CB C 13 31.760 0.3 . 1 . . . . 14 MET CB . 26915 1 60 . 1 1 14 14 MET N N 15 120.933 0.065 . 1 . . . . 14 MET N . 26915 1 61 . 1 1 15 15 MET H H 1 8.189 0.010 . 1 . . . . 15 MET HN . 26915 1 62 . 1 1 15 15 MET C C 13 175.671 0.3 . 1 . . . . 15 MET C . 26915 1 63 . 1 1 15 15 MET CA C 13 54.925 0.3 . 1 . . . . 15 MET CA . 26915 1 64 . 1 1 15 15 MET CB C 13 31.811 0.3 . 1 . . . . 15 MET CB . 26915 1 65 . 1 1 15 15 MET N N 15 121.758 0.055 . 1 . . . . 15 MET N . 26915 1 66 . 1 1 17 17 HIS H H 1 8.272 0.007 . 1 . . . . 17 HIS HN . 26915 1 67 . 1 1 17 17 HIS CA C 13 56.111 0.3 . 1 . . . . 17 HIS CA . 26915 1 68 . 1 1 17 17 HIS CB C 13 29.379 0.3 . 1 . . . . 17 HIS CB . 26915 1 69 . 1 1 17 17 HIS N N 15 118.991 0.024 . 1 . . . . 17 HIS N . 26915 1 70 . 1 1 18 18 LYS H H 1 8.231 0.024 . 1 . . . . 18 LYS HN . 26915 1 71 . 1 1 18 18 LYS C C 13 176.921 0.3 . 1 . . . . 18 LYS C . 26915 1 72 . 1 1 18 18 LYS CA C 13 55.978 0.3 . 1 . . . . 18 LYS CA . 26915 1 73 . 1 1 18 18 LYS CB C 13 31.593 0.3 . 1 . . . . 18 LYS CB . 26915 1 74 . 1 1 18 18 LYS N N 15 123.047 0.072 . 1 . . . . 18 LYS N . 26915 1 75 . 1 1 19 19 GLY H H 1 8.285 0.023 . 1 . . . . 19 GLY HN . 26915 1 76 . 1 1 19 19 GLY C C 13 173.823 0.3 . 1 . . . . 19 GLY C . 26915 1 77 . 1 1 19 19 GLY CA C 13 44.678 0.3 . 1 . . . . 19 GLY CA . 26915 1 78 . 1 1 19 19 GLY N N 15 110.292 0.066 . 1 . . . . 19 GLY N . 26915 1 79 . 1 1 20 20 LYS H H 1 7.965 0.004 . 1 . . . . 20 LYS HN . 26915 1 80 . 1 1 20 20 LYS C C 13 176.161 0.3 . 1 . . . . 20 LYS C . 26915 1 81 . 1 1 20 20 LYS CA C 13 55.740 0.3 . 1 . . . . 20 LYS CA . 26915 1 82 . 1 1 20 20 LYS CB C 13 31.891 0.3 . 1 . . . . 20 LYS CB . 26915 1 83 . 1 1 20 20 LYS N N 15 121.263 0.022 . 1 . . . . 20 LYS N . 26915 1 84 . 1 1 21 21 PHE H H 1 8.235 0.009 . 1 . . . . 21 PHE HN . 26915 1 85 . 1 1 21 21 PHE C C 13 175.724 0.3 . 1 . . . . 21 PHE C . 26915 1 86 . 1 1 21 21 PHE CA C 13 56.767 0.3 . 1 . . . . 21 PHE CA . 26915 1 87 . 1 1 21 21 PHE CB C 13 38.802 0.3 . 1 . . . . 21 PHE CB . 26915 1 88 . 1 1 21 21 PHE N N 15 120.635 0.066 . 1 . . . . 21 PHE N . 26915 1 89 . 1 1 22 22 GLY H H 1 8.003 0.010 . 1 . . . . 22 GLY HN . 26915 1 90 . 1 1 22 22 GLY C C 13 171.883 0.3 . 1 . . . . 22 GLY C . 26915 1 91 . 1 1 22 22 GLY CA C 13 44.166 0.3 . 1 . . . . 22 GLY CA . 26915 1 92 . 1 1 22 22 GLY N N 15 110.288 0.100 . 1 . . . . 22 GLY N . 26915 1 93 . 1 1 26 26 ASP H H 1 8.246 0.012 . 1 . . . . 26 ASP HN . 26915 1 94 . 1 1 26 26 ASP C C 13 177.102 0.3 . 1 . . . . 26 ASP C . 26915 1 95 . 1 1 26 26 ASP CA C 13 54.546 0.3 . 1 . . . . 26 ASP CA . 26915 1 96 . 1 1 26 26 ASP CB C 13 40.864 0.3 . 1 . . . . 26 ASP CB . 26915 1 97 . 1 1 26 26 ASP N N 15 121.004 0.174 . 1 . . . . 26 ASP N . 26915 1 98 . 1 1 27 27 MET H H 1 8.218 0.010 . 1 . . . . 27 MET HN . 26915 1 99 . 1 1 27 27 MET C C 13 177.200 0.3 . 1 . . . . 27 MET C . 26915 1 100 . 1 1 27 27 MET CA C 13 56.224 0.3 . 1 . . . . 27 MET CA . 26915 1 101 . 1 1 27 27 MET CB C 13 40.804 0.3 . 1 . . . . 27 MET CB . 26915 1 102 . 1 1 27 27 MET N N 15 121.885 0.083 . 1 . . . . 27 MET N . 26915 1 103 . 1 1 28 28 MET H H 1 8.285 0.013 . 1 . . . . 28 MET HN . 26915 1 104 . 1 1 28 28 MET C C 13 176.664 0.3 . 1 . . . . 28 MET C . 26915 1 105 . 1 1 28 28 MET CA C 13 56.530 0.3 . 1 . . . . 28 MET CA . 26915 1 106 . 1 1 28 28 MET CB C 13 31.094 0.3 . 1 . . . . 28 MET CB . 26915 1 107 . 1 1 28 28 MET N N 15 119.234 0.093 . 1 . . . . 28 MET N . 26915 1 108 . 1 1 29 29 PHE H H 1 7.845 0.006 . 1 . . . . 29 PHE HN . 26915 1 109 . 1 1 29 29 PHE C C 13 176.097 0.3 . 1 . . . . 29 PHE C . 26915 1 110 . 1 1 29 29 PHE CA C 13 56.799 0.3 . 1 . . . . 29 PHE CA . 26915 1 111 . 1 1 29 29 PHE CB C 13 37.467 0.3 . 1 . . . . 29 PHE CB . 26915 1 112 . 1 1 29 29 PHE N N 15 116.426 0.025 . 1 . . . . 29 PHE N . 26915 1 113 . 1 1 30 30 LYS H H 1 7.389 0.004 . 1 . . . . 30 LYS HN . 26915 1 114 . 1 1 30 30 LYS C C 13 176.742 0.3 . 1 . . . . 30 LYS C . 26915 1 115 . 1 1 30 30 LYS CA C 13 57.857 0.3 . 1 . . . . 30 LYS CA . 26915 1 116 . 1 1 30 30 LYS CB C 13 31.421 0.3 . 1 . . . . 30 LYS CB . 26915 1 117 . 1 1 30 30 LYS N N 15 121.153 0.105 . 1 . . . . 30 LYS N . 26915 1 118 . 1 1 31 31 ASP H H 1 8.522 0.005 . 1 . . . . 31 ASP HN . 26915 1 119 . 1 1 31 31 ASP C C 13 175.850 0.3 . 1 . . . . 31 ASP C . 26915 1 120 . 1 1 31 31 ASP CA C 13 54.982 0.3 . 1 . . . . 31 ASP CA . 26915 1 121 . 1 1 31 31 ASP CB C 13 39.132 0.3 . 1 . . . . 31 ASP CB . 26915 1 122 . 1 1 31 31 ASP N N 15 117.786 0.027 . 1 . . . . 31 ASP N . 26915 1 123 . 1 1 32 32 LEU H H 1 7.501 0.007 . 1 . . . . 32 LEU HN . 26915 1 124 . 1 1 32 32 LEU C C 13 176.602 0.3 . 1 . . . . 32 LEU C . 26915 1 125 . 1 1 32 32 LEU CA C 13 54.442 0.3 . 1 . . . . 32 LEU CA . 26915 1 126 . 1 1 32 32 LEU CB C 13 41.226 0.3 . 1 . . . . 32 LEU CB . 26915 1 127 . 1 1 32 32 LEU N N 15 117.692 0.025 . 1 . . . . 32 LEU N . 26915 1 128 . 1 1 33 33 ASN H H 1 8.524 0.005 . 1 . . . . 33 ASN HN . 26915 1 129 . 1 1 33 33 ASN C C 13 174.715 0.3 . 1 . . . . 33 ASN C . 26915 1 130 . 1 1 33 33 ASN CA C 13 52.857 0.3 . 1 . . . . 33 ASN CA . 26915 1 131 . 1 1 33 33 ASN CB C 13 35.992 0.3 . 1 . . . . 33 ASN CB . 26915 1 132 . 1 1 33 33 ASN N N 15 118.931 0.063 . 1 . . . . 33 ASN N . 26915 1 133 . 1 1 34 34 LEU H H 1 8.034 0.014 . 1 . . . . 34 LEU HN . 26915 1 134 . 1 1 34 34 LEU C C 13 178.727 0.3 . 1 . . . . 34 LEU C . 26915 1 135 . 1 1 34 34 LEU CA C 13 54.222 0.3 . 1 . . . . 34 LEU CA . 26915 1 136 . 1 1 34 34 LEU CB C 13 42.017 0.3 . 1 . . . . 34 LEU CB . 26915 1 137 . 1 1 34 34 LEU N N 15 119.996 0.091 . 1 . . . . 34 LEU N . 26915 1 138 . 1 1 35 35 THR H H 1 9.093 0.003 . 1 . . . . 35 THR HN . 26915 1 139 . 1 1 35 35 THR C C 13 175.586 0.3 . 1 . . . . 35 THR C . 26915 1 140 . 1 1 35 35 THR CA C 13 60.066 0.3 . 1 . . . . 35 THR CA . 26915 1 141 . 1 1 35 35 THR CB C 13 70.460 0.3 . 1 . . . . 35 THR CB . 26915 1 142 . 1 1 35 35 THR N N 15 114.805 0.026 . 1 . . . . 35 THR N . 26915 1 143 . 1 1 36 36 ASP H H 1 8.927 0.005 . 1 . . . . 36 ASP HN . 26915 1 144 . 1 1 36 36 ASP C C 13 179.024 0.3 . 1 . . . . 36 ASP C . 26915 1 145 . 1 1 36 36 ASP CA C 13 57.688 0.3 . 1 . . . . 36 ASP CA . 26915 1 146 . 1 1 36 36 ASP CB C 13 39.015 0.3 . 1 . . . . 36 ASP CB . 26915 1 147 . 1 1 36 36 ASP N N 15 121.957 0.020 . 1 . . . . 36 ASP N . 26915 1 148 . 1 1 37 37 ALA H H 1 8.316 0.006 . 1 . . . . 37 ALA HN . 26915 1 149 . 1 1 37 37 ALA C C 13 181.165 0.3 . 1 . . . . 37 ALA C . 26915 1 150 . 1 1 37 37 ALA CA C 13 54.580 0.3 . 1 . . . . 37 ALA CA . 26915 1 151 . 1 1 37 37 ALA CB C 13 16.982 0.3 . 1 . . . . 37 ALA CB . 26915 1 152 . 1 1 37 37 ALA N N 15 122.634 0.034 . 1 . . . . 37 ALA N . 26915 1 153 . 1 1 38 38 GLN H H 1 7.815 0.003 . 1 . . . . 38 GLN HN . 26915 1 154 . 1 1 38 38 GLN C C 13 178.712 0.3 . 1 . . . . 38 GLN C . 26915 1 155 . 1 1 38 38 GLN CA C 13 58.511 0.3 . 1 . . . . 38 GLN CA . 26915 1 156 . 1 1 38 38 GLN CB C 13 29.331 0.3 . 1 . . . . 38 GLN CB . 26915 1 157 . 1 1 38 38 GLN N N 15 119.203 0.028 . 1 . . . . 38 GLN N . 26915 1 158 . 1 1 39 39 LYS H H 1 8.445 0.005 . 1 . . . . 39 LYS HN . 26915 1 159 . 1 1 39 39 LYS C C 13 179.520 0.3 . 1 . . . . 39 LYS C . 26915 1 160 . 1 1 39 39 LYS CA C 13 60.251 0.3 . 1 . . . . 39 LYS CA . 26915 1 161 . 1 1 39 39 LYS CB C 13 30.980 0.3 . 1 . . . . 39 LYS CB . 26915 1 162 . 1 1 39 39 LYS N N 15 119.037 0.017 . 1 . . . . 39 LYS N . 26915 1 163 . 1 1 40 40 GLN H H 1 7.796 0.011 . 1 . . . . 40 GLN HN . 26915 1 164 . 1 1 40 40 GLN C C 13 178.180 0.3 . 1 . . . . 40 GLN C . 26915 1 165 . 1 1 40 40 GLN CA C 13 58.359 0.3 . 1 . . . . 40 GLN CA . 26915 1 166 . 1 1 40 40 GLN CB C 13 26.705 0.3 . 1 . . . . 40 GLN CB . 26915 1 167 . 1 1 40 40 GLN N N 15 119.665 0.143 . 1 . . . . 40 GLN N . 26915 1 168 . 1 1 41 41 GLN H H 1 7.789 0.005 . 1 . . . . 41 GLN HN . 26915 1 169 . 1 1 41 41 GLN C C 13 179.430 0.3 . 1 . . . . 41 GLN C . 26915 1 170 . 1 1 41 41 GLN CA C 13 58.624 0.3 . 1 . . . . 41 GLN CA . 26915 1 171 . 1 1 41 41 GLN CB C 13 28.063 0.3 . 1 . . . . 41 GLN CB . 26915 1 172 . 1 1 41 41 GLN N N 15 120.240 0.052 . 1 . . . . 41 GLN N . 26915 1 173 . 1 1 42 42 ILE H H 1 8.415 0.005 . 1 . . . . 42 ILE HN . 26915 1 174 . 1 1 42 42 ILE C C 13 177.227 0.3 . 1 . . . . 42 ILE C . 26915 1 175 . 1 1 42 42 ILE CA C 13 65.598 0.3 . 1 . . . . 42 ILE CA . 26915 1 176 . 1 1 42 42 ILE CB C 13 36.669 0.3 . 1 . . . . 42 ILE CB . 26915 1 177 . 1 1 42 42 ILE N N 15 120.656 0.022 . 1 . . . . 42 ILE N . 26915 1 178 . 1 1 43 43 ARG H H 1 7.782 0.009 . 1 . . . . 43 ARG HN . 26915 1 179 . 1 1 43 43 ARG C C 13 179.415 0.3 . 1 . . . . 43 ARG C . 26915 1 180 . 1 1 43 43 ARG CA C 13 59.459 0.3 . 1 . . . . 43 ARG CA . 26915 1 181 . 1 1 43 43 ARG CB C 13 28.621 0.3 . 1 . . . . 43 ARG CB . 26915 1 182 . 1 1 43 43 ARG N N 15 120.242 0.034 . 1 . . . . 43 ARG N . 26915 1 183 . 1 1 44 44 GLU H H 1 7.588 0.008 . 1 . . . . 44 GLU HN . 26915 1 184 . 1 1 44 44 GLU C C 13 179.747 0.3 . 1 . . . . 44 GLU C . 26915 1 185 . 1 1 44 44 GLU CA C 13 58.525 0.3 . 1 . . . . 44 GLU CA . 26915 1 186 . 1 1 44 44 GLU CB C 13 28.146 0.3 . 1 . . . . 44 GLU CB . 26915 1 187 . 1 1 44 44 GLU N N 15 119.020 0.038 . 1 . . . . 44 GLU N . 26915 1 188 . 1 1 45 45 ILE H H 1 8.131 0.007 . 1 . . . . 45 ILE HN . 26915 1 189 . 1 1 45 45 ILE C C 13 179.142 0.3 . 1 . . . . 45 ILE C . 26915 1 190 . 1 1 45 45 ILE CA C 13 64.546 0.3 . 1 . . . . 45 ILE CA . 26915 1 191 . 1 1 45 45 ILE CB C 13 37.478 0.3 . 1 . . . . 45 ILE CB . 26915 1 192 . 1 1 45 45 ILE N N 15 123.087 0.046 . 1 . . . . 45 ILE N . 26915 1 193 . 1 1 46 46 MET H H 1 8.359 0.016 . 1 . . . . 46 MET HN . 26915 1 194 . 1 1 46 46 MET C C 13 178.500 0.3 . 1 . . . . 46 MET C . 26915 1 195 . 1 1 46 46 MET CA C 13 56.682 0.3 . 1 . . . . 46 MET CA . 26915 1 196 . 1 1 46 46 MET CB C 13 30.169 0.3 . 1 . . . . 46 MET CB . 26915 1 197 . 1 1 46 46 MET N N 15 117.999 0.118 . 1 . . . . 46 MET N . 26915 1 198 . 1 1 47 47 LYS H H 1 7.728 0.022 . 1 . . . . 47 LYS HN . 26915 1 199 . 1 1 47 47 LYS C C 13 178.060 0.3 . 1 . . . . 47 LYS C . 26915 1 200 . 1 1 47 47 LYS CA C 13 58.525 0.3 . 1 . . . . 47 LYS CA . 26915 1 201 . 1 1 47 47 LYS CB C 13 30.980 0.3 . 1 . . . . 47 LYS CB . 26915 1 202 . 1 1 47 47 LYS N N 15 121.604 0.056 . 1 . . . . 47 LYS N . 26915 1 203 . 1 1 48 48 GLY H H 1 7.820 0.010 . 1 . . . . 48 GLY HN . 26915 1 204 . 1 1 48 48 GLY C C 13 174.916 0.3 . 1 . . . . 48 GLY C . 26915 1 205 . 1 1 48 48 GLY CA C 13 45.418 0.3 . 1 . . . . 48 GLY CA . 26915 1 206 . 1 1 48 48 GLY N N 15 106.844 0.060 . 1 . . . . 48 GLY N . 26915 1 207 . 1 1 49 49 GLN H H 1 7.486 0.005 . 1 . . . . 49 GLN HN . 26915 1 208 . 1 1 49 49 GLN C C 13 176.868 0.3 . 1 . . . . 49 GLN C . 26915 1 209 . 1 1 49 49 GLN CA C 13 56.047 0.3 . 1 . . . . 49 GLN CA . 26915 1 210 . 1 1 49 49 GLN CB C 13 28.105 0.3 . 1 . . . . 49 GLN CB . 26915 1 211 . 1 1 49 49 GLN N N 15 120.381 0.019 . 1 . . . . 49 GLN N . 26915 1 212 . 1 1 50 50 ARG H H 1 8.053 0.007 . 1 . . . . 50 ARG HN . 26915 1 213 . 1 1 50 50 ARG C C 13 177.126 0.3 . 1 . . . . 50 ARG C . 26915 1 214 . 1 1 50 50 ARG CA C 13 56.942 0.3 . 1 . . . . 50 ARG CA . 26915 1 215 . 1 1 50 50 ARG CB C 13 29.328 0.3 . 1 . . . . 50 ARG CB . 26915 1 216 . 1 1 50 50 ARG N N 15 122.181 0.092 . 1 . . . . 50 ARG N . 26915 1 217 . 1 1 51 51 ASP H H 1 8.170 0.023 . 1 . . . . 51 ASP HN . 26915 1 218 . 1 1 51 51 ASP C C 13 176.709 0.3 . 1 . . . . 51 ASP C . 26915 1 219 . 1 1 51 51 ASP CA C 13 54.771 0.3 . 1 . . . . 51 ASP CA . 26915 1 220 . 1 1 51 51 ASP CB C 13 40.092 0.3 . 1 . . . . 51 ASP CB . 26915 1 221 . 1 1 51 51 ASP N N 15 119.908 0.210 . 1 . . . . 51 ASP N . 26915 1 222 . 1 1 52 52 GLN H H 1 7.880 0.046 . 1 . . . . 52 GLN HN . 26915 1 223 . 1 1 52 52 GLN C C 13 176.086 0.3 . 1 . . . . 52 GLN C . 26915 1 224 . 1 1 52 52 GLN CA C 13 55.361 0.3 . 1 . . . . 52 GLN CA . 26915 1 225 . 1 1 52 52 GLN CB C 13 28.578 0.3 . 1 . . . . 52 GLN CB . 26915 1 226 . 1 1 52 52 GLN N N 15 118.884 0.202 . 1 . . . . 52 GLN N . 26915 1 227 . 1 1 53 53 MET H H 1 7.826 0.027 . 1 . . . . 53 MET HN . 26915 1 228 . 1 1 53 53 MET C C 13 175.920 0.3 . 1 . . . . 53 MET C . 26915 1 229 . 1 1 53 53 MET CA C 13 55.250 0.3 . 1 . . . . 53 MET CA . 26915 1 230 . 1 1 53 53 MET CB C 13 31.570 0.3 . 1 . . . . 53 MET CB . 26915 1 231 . 1 1 53 53 MET N N 15 120.526 0.158 . 1 . . . . 53 MET N . 26915 1 232 . 1 1 54 54 LYS H H 1 8.353 0.020 . 1 . . . . 54 LYS HN . 26915 1 233 . 1 1 54 54 LYS C C 13 176.348 0.3 . 1 . . . . 54 LYS C . 26915 1 234 . 1 1 54 54 LYS CA C 13 55.412 0.3 . 1 . . . . 54 LYS CA . 26915 1 235 . 1 1 54 54 LYS CB C 13 32.035 0.3 . 1 . . . . 54 LYS CB . 26915 1 236 . 1 1 54 54 LYS N N 15 123.634 0.034 . 1 . . . . 54 LYS N . 26915 1 237 . 1 1 55 55 ARG H H 1 8.254 0.008 . 1 . . . . 55 ARG HN . 26915 1 238 . 1 1 55 55 ARG C C 13 173.758 0.3 . 1 . . . . 55 ARG C . 26915 1 239 . 1 1 55 55 ARG CA C 13 53.215 0.3 . 1 . . . . 55 ARG CA . 26915 1 240 . 1 1 55 55 ARG CB C 13 28.945 0.3 . 1 . . . . 55 ARG CB . 26915 1 241 . 1 1 55 55 ARG N N 15 123.446 0.030 . 1 . . . . 55 ARG N . 26915 1 242 . 1 1 58 58 LEU H H 1 8.562 0.029 . 1 . . . . 58 LEU HN . 26915 1 243 . 1 1 58 58 LEU C C 13 178.414 0.3 . 1 . . . . 58 LEU C . 26915 1 244 . 1 1 58 58 LEU CA C 13 57.212 0.3 . 1 . . . . 58 LEU CA . 26915 1 245 . 1 1 58 58 LEU CB C 13 40.784 0.3 . 1 . . . . 58 LEU CB . 26915 1 246 . 1 1 58 58 LEU N N 15 124.193 0.215 . 1 . . . . 58 LEU N . 26915 1 247 . 1 1 59 59 GLU H H 1 8.923 0.068 . 1 . . . . 59 GLU HN . 26915 1 248 . 1 1 59 59 GLU C C 13 178.634 0.3 . 1 . . . . 59 GLU C . 26915 1 249 . 1 1 59 59 GLU CA C 13 58.592 0.3 . 1 . . . . 59 GLU CA . 26915 1 250 . 1 1 59 59 GLU CB C 13 28.032 0.3 . 1 . . . . 59 GLU CB . 26915 1 251 . 1 1 59 59 GLU N N 15 118.169 0.233 . 1 . . . . 59 GLU N . 26915 1 252 . 1 1 60 60 GLU H H 1 7.723 0.011 . 1 . . . . 60 GLU HN . 26915 1 253 . 1 1 60 60 GLU C C 13 178.308 0.3 . 1 . . . . 60 GLU C . 26915 1 254 . 1 1 60 60 GLU CA C 13 58.057 0.3 . 1 . . . . 60 GLU CA . 26915 1 255 . 1 1 60 60 GLU CB C 13 28.749 0.3 . 1 . . . . 60 GLU CB . 26915 1 256 . 1 1 60 60 GLU N N 15 121.222 0.206 . 1 . . . . 60 GLU N . 26915 1 257 . 1 1 61 61 ARG H H 1 7.854 0.019 . 1 . . . . 61 ARG HN . 26915 1 258 . 1 1 61 61 ARG C C 13 179.899 0.3 . 1 . . . . 61 ARG C . 26915 1 259 . 1 1 61 61 ARG CA C 13 58.852 0.3 . 1 . . . . 61 ARG CA . 26915 1 260 . 1 1 61 61 ARG CB C 13 29.050 0.3 . 1 . . . . 61 ARG CB . 26915 1 261 . 1 1 61 61 ARG N N 15 119.982 0.102 . 1 . . . . 61 ARG N . 26915 1 262 . 1 1 62 62 ARG H H 1 8.442 0.007 . 1 . . . . 62 ARG HN . 26915 1 263 . 1 1 62 62 ARG C C 13 177.384 0.3 . 1 . . . . 62 ARG C . 26915 1 264 . 1 1 62 62 ARG CA C 13 59.106 0.3 . 1 . . . . 62 ARG CA . 26915 1 265 . 1 1 62 62 ARG CB C 13 28.430 0.3 . 1 . . . . 62 ARG CB . 26915 1 266 . 1 1 62 62 ARG N N 15 120.129 0.065 . 1 . . . . 62 ARG N . 26915 1 267 . 1 1 63 63 ALA H H 1 7.768 0.017 . 1 . . . . 63 ALA HN . 26915 1 268 . 1 1 63 63 ALA C C 13 180.962 0.3 . 1 . . . . 63 ALA C . 26915 1 269 . 1 1 63 63 ALA CA C 13 54.678 0.3 . 1 . . . . 63 ALA CA . 26915 1 270 . 1 1 63 63 ALA CB C 13 16.797 0.3 . 1 . . . . 63 ALA CB . 26915 1 271 . 1 1 63 63 ALA N N 15 122.400 0.031 . 1 . . . . 63 ALA N . 26915 1 272 . 1 1 64 64 MET H H 1 7.824 0.009 . 1 . . . . 64 MET HN . 26915 1 273 . 1 1 64 64 MET C C 13 177.548 0.3 . 1 . . . . 64 MET C . 26915 1 274 . 1 1 64 64 MET CA C 13 57.979 0.3 . 1 . . . . 64 MET CA . 26915 1 275 . 1 1 64 64 MET CB C 13 31.337 0.3 . 1 . . . . 64 MET CB . 26915 1 276 . 1 1 64 64 MET N N 15 116.241 0.066 . 1 . . . . 64 MET N . 26915 1 277 . 1 1 65 65 HIS H H 1 7.678 0.018 . 1 . . . . 65 HIS HN . 26915 1 278 . 1 1 65 65 HIS CA C 13 59.345 0.3 . 1 . . . . 65 HIS CA . 26915 1 279 . 1 1 65 65 HIS CB C 13 29.288 0.3 . 1 . . . . 65 HIS CB . 26915 1 280 . 1 1 65 65 HIS N N 15 120.559 0.107 . 1 . . . . 65 HIS N . 26915 1 281 . 1 1 66 66 ASP H H 1 8.271 0.005 . 1 . . . . 66 ASP HN . 26915 1 282 . 1 1 66 66 ASP C C 13 178.086 0.3 . 1 . . . . 66 ASP C . 26915 1 283 . 1 1 66 66 ASP CA C 13 56.490 0.3 . 1 . . . . 66 ASP CA . 26915 1 284 . 1 1 66 66 ASP CB C 13 39.309 0.3 . 1 . . . . 66 ASP CB . 26915 1 285 . 1 1 66 66 ASP N N 15 120.575 0.056 . 1 . . . . 66 ASP N . 26915 1 286 . 1 1 67 67 ILE H H 1 7.220 0.009 . 1 . . . . 67 ILE HN . 26915 1 287 . 1 1 67 67 ILE C C 13 178.921 0.3 . 1 . . . . 67 ILE C . 26915 1 288 . 1 1 67 67 ILE CA C 13 63.459 0.3 . 1 . . . . 67 ILE CA . 26915 1 289 . 1 1 67 67 ILE CB C 13 37.079 0.3 . 1 . . . . 67 ILE CB . 26915 1 290 . 1 1 67 67 ILE N N 15 119.658 0.028 . 1 . . . . 67 ILE N . 26915 1 291 . 1 1 68 68 ILE H H 1 7.747 0.010 . 1 . . . . 68 ILE HN . 26915 1 292 . 1 1 68 68 ILE C C 13 175.649 0.3 . 1 . . . . 68 ILE C . 26915 1 293 . 1 1 68 68 ILE CA C 13 65.114 0.3 . 1 . . . . 68 ILE CA . 26915 1 294 . 1 1 68 68 ILE CB C 13 37.062 0.3 . 1 . . . . 68 ILE CB . 26915 1 295 . 1 1 68 68 ILE N N 15 118.926 0.058 . 1 . . . . 68 ILE N . 26915 1 296 . 1 1 69 69 THR H H 1 7.190 0.007 . 1 . . . . 69 THR HN . 26915 1 297 . 1 1 69 69 THR C C 13 174.300 0.3 . 1 . . . . 69 THR C . 26915 1 298 . 1 1 69 69 THR CA C 13 60.019 0.3 . 1 . . . . 69 THR CA . 26915 1 299 . 1 1 69 69 THR CB C 13 68.233 0.3 . 1 . . . . 69 THR CB . 26915 1 300 . 1 1 69 69 THR N N 15 105.467 0.125 . 1 . . . . 69 THR N . 26915 1 301 . 1 1 70 70 SER H H 1 6.497 0.005 . 1 . . . . 70 SER HN . 26915 1 302 . 1 1 70 70 SER C C 13 174.597 0.3 . 1 . . . . 70 SER C . 26915 1 303 . 1 1 70 70 SER CA C 13 57.820 0.3 . 1 . . . . 70 SER CA . 26915 1 304 . 1 1 70 70 SER CB C 13 63.580 0.3 . 1 . . . . 70 SER CB . 26915 1 305 . 1 1 70 70 SER N N 15 116.335 0.034 . 1 . . . . 70 SER N . 26915 1 306 . 1 1 71 71 ASP H H 1 8.677 0.002 . 1 . . . . 71 ASP HN . 26915 1 307 . 1 1 71 71 ASP C C 13 176.336 0.3 . 1 . . . . 71 ASP C . 26915 1 308 . 1 1 71 71 ASP CA C 13 56.395 0.3 . 1 . . . . 71 ASP CA . 26915 1 309 . 1 1 71 71 ASP CB C 13 39.678 0.3 . 1 . . . . 71 ASP CB . 26915 1 310 . 1 1 71 71 ASP N N 15 124.567 0.037 . 1 . . . . 71 ASP N . 26915 1 311 . 1 1 72 72 THR H H 1 7.521 0.002 . 1 . . . . 72 THR HN . 26915 1 312 . 1 1 72 72 THR C C 13 173.278 0.3 . 1 . . . . 72 THR C . 26915 1 313 . 1 1 72 72 THR CA C 13 59.599 0.3 . 1 . . . . 72 THR CA . 26915 1 314 . 1 1 72 72 THR CB C 13 70.489 0.3 . 1 . . . . 72 THR CB . 26915 1 315 . 1 1 72 72 THR N N 15 111.156 0.033 . 1 . . . . 72 THR N . 26915 1 316 . 1 1 73 73 PHE H H 1 8.796 0.005 . 1 . . . . 73 PHE HN . 26915 1 317 . 1 1 73 73 PHE C C 13 173.766 0.3 . 1 . . . . 73 PHE C . 26915 1 318 . 1 1 73 73 PHE CA C 13 57.933 0.3 . 1 . . . . 73 PHE CA . 26915 1 319 . 1 1 73 73 PHE CB C 13 38.130 0.3 . 1 . . . . 73 PHE CB . 26915 1 320 . 1 1 73 73 PHE N N 15 126.709 0.052 . 1 . . . . 73 PHE N . 26915 1 321 . 1 1 74 74 ASP H H 1 7.916 0.008 . 1 . . . . 74 ASP HN . 26915 1 322 . 1 1 74 74 ASP C C 13 174.347 0.3 . 1 . . . . 74 ASP C . 26915 1 323 . 1 1 74 74 ASP CA C 13 51.338 0.3 . 1 . . . . 74 ASP CA . 26915 1 324 . 1 1 74 74 ASP CB C 13 40.052 0.3 . 1 . . . . 74 ASP CB . 26915 1 325 . 1 1 74 74 ASP N N 15 130.601 0.025 . 1 . . . . 74 ASP N . 26915 1 326 . 1 1 75 75 LYS H H 1 8.067 0.003 . 1 . . . . 75 LYS HN . 26915 1 327 . 1 1 75 75 LYS C C 13 177.618 0.3 . 1 . . . . 75 LYS C . 26915 1 328 . 1 1 75 75 LYS CA C 13 59.080 0.3 . 1 . . . . 75 LYS CA . 26915 1 329 . 1 1 75 75 LYS CB C 13 31.740 0.3 . 1 . . . . 75 LYS CB . 26915 1 330 . 1 1 75 75 LYS N N 15 125.371 0.021 . 1 . . . . 75 LYS N . 26915 1 331 . 1 1 76 76 VAL H H 1 7.590 0.002 . 1 . . . . 76 VAL HN . 26915 1 332 . 1 1 76 76 VAL C C 13 179.619 0.3 . 1 . . . . 76 VAL C . 26915 1 333 . 1 1 76 76 VAL CA C 13 65.406 0.3 . 1 . . . . 76 VAL CA . 26915 1 334 . 1 1 76 76 VAL CB C 13 30.269 0.3 . 1 . . . . 76 VAL CB . 26915 1 335 . 1 1 76 76 VAL N N 15 119.801 0.018 . 1 . . . . 76 VAL N . 26915 1 336 . 1 1 77 77 LYS H H 1 7.425 0.003 . 1 . . . . 77 LYS HN . 26915 1 337 . 1 1 77 77 LYS C C 13 179.841 0.3 . 1 . . . . 77 LYS C . 26915 1 338 . 1 1 77 77 LYS CA C 13 58.506 0.3 . 1 . . . . 77 LYS CA . 26915 1 339 . 1 1 77 77 LYS CB C 13 31.496 0.3 . 1 . . . . 77 LYS CB . 26915 1 340 . 1 1 77 77 LYS N N 15 122.218 0.016 . 1 . . . . 77 LYS N . 26915 1 341 . 1 1 78 78 ALA H H 1 8.132 0.001 . 1 . . . . 78 ALA HN . 26915 1 342 . 1 1 78 78 ALA C C 13 178.993 0.3 . 1 . . . . 78 ALA C . 26915 1 343 . 1 1 78 78 ALA CA C 13 55.165 0.3 . 1 . . . . 78 ALA CA . 26915 1 344 . 1 1 78 78 ALA CB C 13 18.081 0.3 . 1 . . . . 78 ALA CB . 26915 1 345 . 1 1 78 78 ALA N N 15 122.026 0.017 . 1 . . . . 78 ALA N . 26915 1 346 . 1 1 79 79 GLU H H 1 8.579 0.002 . 1 . . . . 79 GLU HN . 26915 1 347 . 1 1 79 79 GLU C C 13 179.148 0.3 . 1 . . . . 79 GLU C . 26915 1 348 . 1 1 79 79 GLU CA C 13 59.922 0.3 . 1 . . . . 79 GLU CA . 26915 1 349 . 1 1 79 79 GLU CB C 13 28.474 0.3 . 1 . . . . 79 GLU CB . 26915 1 350 . 1 1 79 79 GLU N N 15 117.902 0.019 . 1 . . . . 79 GLU N . 26915 1 351 . 1 1 80 80 ALA H H 1 7.664 0.004 . 1 . . . . 80 ALA HN . 26915 1 352 . 1 1 80 80 ALA C C 13 180.510 0.3 . 1 . . . . 80 ALA C . 26915 1 353 . 1 1 80 80 ALA CA C 13 54.349 0.3 . 1 . . . . 80 ALA CA . 26915 1 354 . 1 1 80 80 ALA CB C 13 16.855 0.3 . 1 . . . . 80 ALA CB . 26915 1 355 . 1 1 80 80 ALA N N 15 122.096 0.026 . 1 . . . . 80 ALA N . 26915 1 356 . 1 1 81 81 GLN H H 1 7.798 0.004 . 1 . . . . 81 GLN HN . 26915 1 357 . 1 1 81 81 GLN C C 13 178.636 0.3 . 1 . . . . 81 GLN C . 26915 1 358 . 1 1 81 81 GLN CA C 13 57.502 0.3 . 1 . . . . 81 GLN CA . 26915 1 359 . 1 1 81 81 GLN CB C 13 26.717 0.3 . 1 . . . . 81 GLN CB . 26915 1 360 . 1 1 81 81 GLN N N 15 119.653 0.045 . 1 . . . . 81 GLN N . 26915 1 361 . 1 1 82 82 ILE H H 1 8.324 0.003 . 1 . . . . 82 ILE HN . 26915 1 362 . 1 1 82 82 ILE CA C 13 64.673 0.3 . 1 . . . . 82 ILE CA . 26915 1 363 . 1 1 82 82 ILE CB C 13 37.319 0.3 . 1 . . . . 82 ILE CB . 26915 1 364 . 1 1 82 82 ILE N N 15 121.092 0.014 . 1 . . . . 82 ILE N . 26915 1 365 . 1 1 83 83 ALA H H 1 8.471 0.002 . 1 . . . . 83 ALA HN . 26915 1 366 . 1 1 83 83 ALA N N 15 125.064 0.027 . 1 . . . . 83 ALA N . 26915 1 367 . 1 1 84 84 LYS H H 1 7.376 0.011 . 1 . . . . 84 LYS HN . 26915 1 368 . 1 1 84 84 LYS C C 13 179.164 0.3 . 1 . . . . 84 LYS C . 26915 1 369 . 1 1 84 84 LYS CA C 13 58.711 0.3 . 1 . . . . 84 LYS CA . 26915 1 370 . 1 1 84 84 LYS CB C 13 31.184 0.3 . 1 . . . . 84 LYS CB . 26915 1 371 . 1 1 84 84 LYS N N 15 118.893 0.030 . 1 . . . . 84 LYS N . 26915 1 372 . 1 1 85 85 MET H H 1 7.948 0.006 . 1 . . . . 85 MET HN . 26915 1 373 . 1 1 85 85 MET C C 13 175.439 0.3 . 1 . . . . 85 MET C . 26915 1 374 . 1 1 85 85 MET CA C 13 55.664 0.3 . 1 . . . . 85 MET CA . 26915 1 375 . 1 1 85 85 MET CB C 13 32.128 0.3 . 1 . . . . 85 MET CB . 26915 1 376 . 1 1 85 85 MET N N 15 121.668 0.020 . 1 . . . . 85 MET N . 26915 1 377 . 1 1 86 86 GLU H H 1 8.018 0.002 . 1 . . . . 86 GLU HN . 26915 1 378 . 1 1 86 86 GLU C C 13 174.617 0.3 . 1 . . . . 86 GLU C . 26915 1 379 . 1 1 86 86 GLU CA C 13 52.135 0.3 . 1 . . . . 86 GLU CA . 26915 1 380 . 1 1 86 86 GLU CB C 13 33.064 0.3 . 1 . . . . 86 GLU CB . 26915 1 381 . 1 1 86 86 GLU N N 15 121.930 0.017 . 1 . . . . 86 GLU N . 26915 1 382 . 1 1 88 88 GLN H H 1 7.768 0.005 . 1 . . . . 88 GLN HN . 26915 1 383 . 1 1 88 88 GLN C C 13 177.880 0.3 . 1 . . . . 88 GLN C . 26915 1 384 . 1 1 88 88 GLN CA C 13 58.093 0.3 . 1 . . . . 88 GLN CA . 26915 1 385 . 1 1 88 88 GLN CB C 13 27.503 0.3 . 1 . . . . 88 GLN CB . 26915 1 386 . 1 1 88 88 GLN N N 15 119.689 0.045 . 1 . . . . 88 GLN N . 26915 1 387 . 1 1 89 89 ARG H H 1 8.021 0.010 . 1 . . . . 89 ARG HN . 26915 1 388 . 1 1 89 89 ARG C C 13 179.430 0.3 . 1 . . . . 89 ARG C . 26915 1 389 . 1 1 89 89 ARG CA C 13 59.383 0.3 . 1 . . . . 89 ARG CA . 26915 1 390 . 1 1 89 89 ARG CB C 13 29.263 0.3 . 1 . . . . 89 ARG CB . 26915 1 391 . 1 1 89 89 ARG N N 15 120.677 0.060 . 1 . . . . 89 ARG N . 26915 1 392 . 1 1 90 90 LYS H H 1 8.375 0.009 . 1 . . . . 90 LYS HN . 26915 1 393 . 1 1 90 90 LYS C C 13 178.383 0.3 . 1 . . . . 90 LYS C . 26915 1 394 . 1 1 90 90 LYS CA C 13 59.932 0.3 . 1 . . . . 90 LYS CA . 26915 1 395 . 1 1 90 90 LYS CB C 13 30.685 0.3 . 1 . . . . 90 LYS CB . 26915 1 396 . 1 1 90 90 LYS N N 15 120.082 0.025 . 1 . . . . 90 LYS N . 26915 1 397 . 1 1 91 91 ALA H H 1 7.682 0.009 . 1 . . . . 91 ALA HN . 26915 1 398 . 1 1 91 91 ALA C C 13 181.181 0.3 . 1 . . . . 91 ALA C . 26915 1 399 . 1 1 91 91 ALA CA C 13 54.564 0.3 . 1 . . . . 91 ALA CA . 26915 1 400 . 1 1 91 91 ALA CB C 13 16.902 0.3 . 1 . . . . 91 ALA CB . 26915 1 401 . 1 1 91 91 ALA N N 15 121.934 0.047 . 1 . . . . 91 ALA N . 26915 1 402 . 1 1 92 92 ASN H H 1 8.276 0.012 . 1 . . . . 92 ASN HN . 26915 1 403 . 1 1 92 92 ASN C C 13 178.194 0.3 . 1 . . . . 92 ASN C . 26915 1 404 . 1 1 92 92 ASN CA C 13 55.423 0.3 . 1 . . . . 92 ASN CA . 26915 1 405 . 1 1 92 92 ASN CB C 13 37.297 0.3 . 1 . . . . 92 ASN CB . 26915 1 406 . 1 1 92 92 ASN N N 15 118.966 0.055 . 1 . . . . 92 ASN N . 26915 1 407 . 1 1 93 93 MET H H 1 8.459 0.004 . 1 . . . . 93 MET HN . 26915 1 408 . 1 1 93 93 MET C C 13 178.461 0.3 . 1 . . . . 93 MET C . 26915 1 409 . 1 1 93 93 MET CA C 13 58.209 0.3 . 1 . . . . 93 MET CA . 26915 1 410 . 1 1 93 93 MET CB C 13 31.803 0.3 . 1 . . . . 93 MET CB . 26915 1 411 . 1 1 93 93 MET N N 15 121.527 0.030 . 1 . . . . 93 MET N . 26915 1 412 . 1 1 94 94 LEU H H 1 8.310 0.006 . 1 . . . . 94 LEU HN . 26915 1 413 . 1 1 94 94 LEU C C 13 178.929 0.3 . 1 . . . . 94 LEU C . 26915 1 414 . 1 1 94 94 LEU CA C 13 58.138 0.3 . 1 . . . . 94 LEU CA . 26915 1 415 . 1 1 94 94 LEU CB C 13 40.636 0.3 . 1 . . . . 94 LEU CB . 26915 1 416 . 1 1 94 94 LEU N N 15 122.613 0.027 . 1 . . . . 94 LEU N . 26915 1 417 . 1 1 95 95 ALA H H 1 7.663 0.051 . 1 . . . . 95 ALA HN . 26915 1 418 . 1 1 95 95 ALA C C 13 180.571 0.3 . 1 . . . . 95 ALA C . 26915 1 419 . 1 1 95 95 ALA CA C 13 54.374 0.3 . 1 . . . . 95 ALA CA . 26915 1 420 . 1 1 95 95 ALA CB C 13 17.123 0.3 . 1 . . . . 95 ALA CB . 26915 1 421 . 1 1 95 95 ALA N N 15 120.879 0.161 . 1 . . . . 95 ALA N . 26915 1 422 . 1 1 96 96 HIS H H 1 8.130 0.008 . 1 . . . . 96 HIS HN . 26915 1 423 . 1 1 96 96 HIS CA C 13 59.209 0.3 . 1 . . . . 96 HIS CA . 26915 1 424 . 1 1 96 96 HIS CB C 13 29.681 0.3 . 1 . . . . 96 HIS CB . 26915 1 425 . 1 1 96 96 HIS N N 15 120.148 0.088 . 1 . . . . 96 HIS N . 26915 1 426 . 1 1 97 97 MET H H 1 8.374 0.009 . 1 . . . . 97 MET HN . 26915 1 427 . 1 1 97 97 MET C C 13 177.196 0.3 . 1 . . . . 97 MET C . 26915 1 428 . 1 1 97 97 MET CA C 13 59.282 0.3 . 1 . . . . 97 MET CA . 26915 1 429 . 1 1 97 97 MET CB C 13 32.823 0.3 . 1 . . . . 97 MET CB . 26915 1 430 . 1 1 97 97 MET N N 15 118.765 0.042 . 1 . . . . 97 MET N . 26915 1 431 . 1 1 98 98 GLU H H 1 8.070 0.017 . 1 . . . . 98 GLU HN . 26915 1 432 . 1 1 98 98 GLU C C 13 178.915 0.3 . 1 . . . . 98 GLU C . 26915 1 433 . 1 1 98 98 GLU CA C 13 59.080 0.3 . 1 . . . . 98 GLU CA . 26915 1 434 . 1 1 98 98 GLU CB C 13 28.063 0.3 . 1 . . . . 98 GLU CB . 26915 1 435 . 1 1 98 98 GLU N N 15 120.338 0.038 . 1 . . . . 98 GLU N . 26915 1 436 . 1 1 99 99 THR H H 1 7.944 0.009 . 1 . . . . 99 THR HN . 26915 1 437 . 1 1 99 99 THR CA C 13 66.518 0.3 . 1 . . . . 99 THR CA . 26915 1 438 . 1 1 99 99 THR CB C 13 67.770 0.3 . 1 . . . . 99 THR CB . 26915 1 439 . 1 1 99 99 THR N N 15 117.110 0.097 . 1 . . . . 99 THR N . 26915 1 440 . 1 1 100 100 GLN H H 1 8.006 0.008 . 1 . . . . 100 GLN HN . 26915 1 441 . 1 1 100 100 GLN C C 13 177.708 0.3 . 1 . . . . 100 GLN C . 26915 1 442 . 1 1 100 100 GLN CA C 13 58.662 0.3 . 1 . . . . 100 GLN CA . 26915 1 443 . 1 1 100 100 GLN CB C 13 27.998 0.3 . 1 . . . . 100 GLN CB . 26915 1 444 . 1 1 100 100 GLN N N 15 119.190 0.051 . 1 . . . . 100 GLN N . 26915 1 445 . 1 1 101 101 ASN H H 1 7.953 0.008 . 1 . . . . 101 ASN HN . 26915 1 446 . 1 1 101 101 ASN C C 13 177.516 0.3 . 1 . . . . 101 ASN C . 26915 1 447 . 1 1 101 101 ASN CA C 13 56.347 0.3 . 1 . . . . 101 ASN CA . 26915 1 448 . 1 1 101 101 ASN CB C 13 40.341 0.3 . 1 . . . . 101 ASN CB . 26915 1 449 . 1 1 101 101 ASN N N 15 118.693 0.029 . 1 . . . . 101 ASN N . 26915 1 450 . 1 1 102 102 LYS H H 1 8.091 0.012 . 1 . . . . 102 LYS HN . 26915 1 451 . 1 1 102 102 LYS C C 13 179.493 0.3 . 1 . . . . 102 LYS C . 26915 1 452 . 1 1 102 102 LYS CA C 13 59.483 0.3 . 1 . . . . 102 LYS CA . 26915 1 453 . 1 1 102 102 LYS CB C 13 31.765 0.3 . 1 . . . . 102 LYS CB . 26915 1 454 . 1 1 102 102 LYS N N 15 121.568 0.065 . 1 . . . . 102 LYS N . 26915 1 455 . 1 1 103 103 ILE H H 1 7.821 0.005 . 1 . . . . 103 ILE HN . 26915 1 456 . 1 1 103 103 ILE C C 13 177.226 0.3 . 1 . . . . 103 ILE C . 26915 1 457 . 1 1 103 103 ILE CA C 13 64.772 0.3 . 1 . . . . 103 ILE CA . 26915 1 458 . 1 1 103 103 ILE CB C 13 36.478 0.3 . 1 . . . . 103 ILE CB . 26915 1 459 . 1 1 103 103 ILE N N 15 118.791 0.020 . 1 . . . . 103 ILE N . 26915 1 460 . 1 1 104 104 TYR H H 1 8.299 0.010 . 1 . . . . 104 TYR HN . 26915 1 461 . 1 1 104 104 TYR C C 13 176.410 0.3 . 1 . . . . 104 TYR C . 26915 1 462 . 1 1 104 104 TYR CA C 13 61.095 0.3 . 1 . . . . 104 TYR CA . 26915 1 463 . 1 1 104 104 TYR CB C 13 37.304 0.3 . 1 . . . . 104 TYR CB . 26915 1 464 . 1 1 104 104 TYR N N 15 120.890 0.132 . 1 . . . . 104 TYR N . 26915 1 465 . 1 1 105 105 ASN H H 1 7.275 0.006 . 1 . . . . 105 ASN HN . 26915 1 466 . 1 1 105 105 ASN C C 13 176.624 0.3 . 1 . . . . 105 ASN C . 26915 1 467 . 1 1 105 105 ASN CA C 13 55.268 0.3 . 1 . . . . 105 ASN CA . 26915 1 468 . 1 1 105 105 ASN CB C 13 39.283 0.3 . 1 . . . . 105 ASN CB . 26915 1 469 . 1 1 105 105 ASN N N 15 110.049 0.031 . 1 . . . . 105 ASN N . 26915 1 470 . 1 1 106 106 ILE H H 1 7.604 0.006 . 1 . . . . 106 ILE HN . 26915 1 471 . 1 1 106 106 ILE C C 13 176.639 0.3 . 1 . . . . 106 ILE C . 26915 1 472 . 1 1 106 106 ILE CA C 13 60.829 0.3 . 1 . . . . 106 ILE CA . 26915 1 473 . 1 1 106 106 ILE CB C 13 37.036 0.3 . 1 . . . . 106 ILE CB . 26915 1 474 . 1 1 106 106 ILE N N 15 116.643 0.109 . 1 . . . . 106 ILE N . 26915 1 475 . 1 1 107 107 LEU H H 1 7.028 0.004 . 1 . . . . 107 LEU HN . 26915 1 476 . 1 1 107 107 LEU C C 13 177.571 0.3 . 1 . . . . 107 LEU C . 26915 1 477 . 1 1 107 107 LEU CA C 13 53.736 0.3 . 1 . . . . 107 LEU CA . 26915 1 478 . 1 1 107 107 LEU CB C 13 39.651 0.3 . 1 . . . . 107 LEU CB . 26915 1 479 . 1 1 107 107 LEU N N 15 122.801 0.028 . 1 . . . . 107 LEU N . 26915 1 480 . 1 1 108 108 THR H H 1 8.970 0.005 . 1 . . . . 108 THR HN . 26915 1 481 . 1 1 108 108 THR C C 13 173.691 0.3 . 1 . . . . 108 THR C . 26915 1 482 . 1 1 108 108 THR CA C 13 59.932 0.3 . 1 . . . . 108 THR CA . 26915 1 483 . 1 1 108 108 THR CB C 13 67.466 0.3 . 1 . . . . 108 THR CB . 26915 1 484 . 1 1 108 108 THR N N 15 113.407 0.021 . 1 . . . . 108 THR N . 26915 1 485 . 1 1 110 110 GLU H H 1 8.552 0.006 . 1 . . . . 110 GLU HN . 26915 1 486 . 1 1 110 110 GLU C C 13 179.657 0.3 . 1 . . . . 110 GLU C . 26915 1 487 . 1 1 110 110 GLU CA C 13 59.371 0.3 . 1 . . . . 110 GLU CA . 26915 1 488 . 1 1 110 110 GLU CB C 13 28.032 0.3 . 1 . . . . 110 GLU CB . 26915 1 489 . 1 1 110 110 GLU N N 15 117.554 0.021 . 1 . . . . 110 GLU N . 26915 1 490 . 1 1 111 111 GLN H H 1 7.571 0.003 . 1 . . . . 111 GLN HN . 26915 1 491 . 1 1 111 111 GLN C C 13 179.009 0.3 . 1 . . . . 111 GLN C . 26915 1 492 . 1 1 111 111 GLN CA C 13 57.823 0.3 . 1 . . . . 111 GLN CA . 26915 1 493 . 1 1 111 111 GLN CB C 13 29.064 0.3 . 1 . . . . 111 GLN CB . 26915 1 494 . 1 1 111 111 GLN N N 15 121.128 0.017 . 1 . . . . 111 GLN N . 26915 1 495 . 1 1 112 112 LYS H H 1 8.830 0.005 . 1 . . . . 112 LYS HN . 26915 1 496 . 1 1 112 112 LYS C C 13 179.017 0.3 . 1 . . . . 112 LYS C . 26915 1 497 . 1 1 112 112 LYS CA C 13 60.427 0.3 . 1 . . . . 112 LYS CA . 26915 1 498 . 1 1 112 112 LYS CB C 13 31.644 0.3 . 1 . . . . 112 LYS CB . 26915 1 499 . 1 1 112 112 LYS N N 15 121.026 0.017 . 1 . . . . 112 LYS N . 26915 1 500 . 1 1 113 113 LYS H H 1 7.609 0.008 . 1 . . . . 113 LYS HN . 26915 1 501 . 1 1 113 113 LYS C C 13 179.993 0.3 . 1 . . . . 113 LYS C . 26915 1 502 . 1 1 113 113 LYS CA C 13 59.215 0.3 . 1 . . . . 113 LYS CA . 26915 1 503 . 1 1 113 113 LYS CB C 13 31.128 0.3 . 1 . . . . 113 LYS CB . 26915 1 504 . 1 1 113 113 LYS N N 15 118.747 0.048 . 1 . . . . 113 LYS N . 26915 1 505 . 1 1 114 114 GLN H H 1 7.576 0.007 . 1 . . . . 114 GLN HN . 26915 1 506 . 1 1 114 114 GLN C C 13 177.618 0.3 . 1 . . . . 114 GLN C . 26915 1 507 . 1 1 114 114 GLN CA C 13 57.835 0.3 . 1 . . . . 114 GLN CA . 26915 1 508 . 1 1 114 114 GLN CB C 13 27.516 0.3 . 1 . . . . 114 GLN CB . 26915 1 509 . 1 1 114 114 GLN N N 15 121.115 0.030 . 1 . . . . 114 GLN N . 26915 1 510 . 1 1 115 115 PHE H H 1 8.989 0.006 . 1 . . . . 115 PHE HN . 26915 1 511 . 1 1 115 115 PHE C C 13 178.743 0.3 . 1 . . . . 115 PHE C . 26915 1 512 . 1 1 115 115 PHE CA C 13 61.315 0.3 . 1 . . . . 115 PHE CA . 26915 1 513 . 1 1 115 115 PHE CB C 13 38.827 0.3 . 1 . . . . 115 PHE CB . 26915 1 514 . 1 1 115 115 PHE N N 15 122.916 0.028 . 1 . . . . 115 PHE N . 26915 1 515 . 1 1 116 116 ASN H H 1 8.673 0.012 . 1 . . . . 116 ASN HN . 26915 1 516 . 1 1 116 116 ASN C C 13 177.393 0.3 . 1 . . . . 116 ASN C . 26915 1 517 . 1 1 116 116 ASN CA C 13 56.527 0.3 . 1 . . . . 116 ASN CA . 26915 1 518 . 1 1 116 116 ASN CB C 13 37.761 0.3 . 1 . . . . 116 ASN CB . 26915 1 519 . 1 1 116 116 ASN N N 15 118.647 0.053 . 1 . . . . 116 ASN N . 26915 1 520 . 1 1 117 117 ALA H H 1 8.271 0.007 . 1 . . . . 117 ALA HN . 26915 1 521 . 1 1 117 117 ALA C C 13 180.681 0.3 . 1 . . . . 117 ALA C . 26915 1 522 . 1 1 117 117 ALA CA C 13 54.656 0.3 . 1 . . . . 117 ALA CA . 26915 1 523 . 1 1 117 117 ALA CB C 13 16.774 0.3 . 1 . . . . 117 ALA CB . 26915 1 524 . 1 1 117 117 ALA N N 15 124.896 0.025 . 1 . . . . 117 ALA N . 26915 1 525 . 1 1 118 118 ASN H H 1 8.447 0.007 . 1 . . . . 118 ASN HN . 26915 1 526 . 1 1 118 118 ASN C C 13 177.239 0.3 . 1 . . . . 118 ASN C . 26915 1 527 . 1 1 118 118 ASN CA C 13 54.691 0.3 . 1 . . . . 118 ASN CA . 26915 1 528 . 1 1 118 118 ASN CB C 13 36.742 0.3 . 1 . . . . 118 ASN CB . 26915 1 529 . 1 1 118 118 ASN N N 15 118.876 0.051 . 1 . . . . 118 ASN N . 26915 1 530 . 1 1 119 119 PHE H H 1 7.574 0.009 . 1 . . . . 119 PHE HN . 26915 1 531 . 1 1 119 119 PHE C C 13 176.580 0.3 . 1 . . . . 119 PHE C . 26915 1 532 . 1 1 119 119 PHE CA C 13 60.590 0.3 . 1 . . . . 119 PHE CA . 26915 1 533 . 1 1 119 119 PHE CB C 13 37.772 0.3 . 1 . . . . 119 PHE CB . 26915 1 534 . 1 1 119 119 PHE N N 15 121.837 0.043 . 1 . . . . 119 PHE N . 26915 1 535 . 1 1 120 120 GLU H H 1 7.800 0.008 . 1 . . . . 120 GLU HN . 26915 1 536 . 1 1 120 120 GLU C C 13 179.227 0.3 . 1 . . . . 120 GLU C . 26915 1 537 . 1 1 120 120 GLU CA C 13 57.941 0.3 . 1 . . . . 120 GLU CA . 26915 1 538 . 1 1 120 120 GLU CB C 13 28.032 0.3 . 1 . . . . 120 GLU CB . 26915 1 539 . 1 1 120 120 GLU N N 15 117.988 0.028 . 1 . . . . 120 GLU N . 26915 1 540 . 1 1 121 121 LYS H H 1 7.675 0.003 . 1 . . . . 121 LYS HN . 26915 1 541 . 1 1 121 121 LYS C C 13 178.337 0.3 . 1 . . . . 121 LYS C . 26915 1 542 . 1 1 121 121 LYS CA C 13 57.950 0.3 . 1 . . . . 121 LYS CA . 26915 1 543 . 1 1 121 121 LYS CB C 13 31.078 0.3 . 1 . . . . 121 LYS CB . 26915 1 544 . 1 1 121 121 LYS N N 15 119.090 0.027 . 1 . . . . 121 LYS N . 26915 1 545 . 1 1 122 122 ARG H H 1 7.464 0.019 . 1 . . . . 122 ARG HN . 26915 1 546 . 1 1 122 122 ARG C C 13 177.836 0.3 . 1 . . . . 122 ARG C . 26915 1 547 . 1 1 122 122 ARG CA C 13 57.038 0.3 . 1 . . . . 122 ARG CA . 26915 1 548 . 1 1 122 122 ARG CB C 13 28.621 0.3 . 1 . . . . 122 ARG CB . 26915 1 549 . 1 1 122 122 ARG N N 15 118.708 0.081 . 1 . . . . 122 ARG N . 26915 1 550 . 1 1 123 123 LEU H H 1 7.351 0.013 . 1 . . . . 123 LEU HN . 26915 1 551 . 1 1 123 123 LEU C C 13 177.937 0.3 . 1 . . . . 123 LEU C . 26915 1 552 . 1 1 123 123 LEU CA C 13 55.740 0.3 . 1 . . . . 123 LEU CA . 26915 1 553 . 1 1 123 123 LEU CB C 13 40.679 0.3 . 1 . . . . 123 LEU CB . 26915 1 554 . 1 1 123 123 LEU N N 15 119.603 0.027 . 1 . . . . 123 LEU N . 26915 1 555 . 1 1 124 124 THR H H 1 7.338 0.011 . 1 . . . . 124 THR HN . 26915 1 556 . 1 1 124 124 THR C C 13 174.444 0.3 . 1 . . . . 124 THR C . 26915 1 557 . 1 1 124 124 THR CA C 13 61.388 0.3 . 1 . . . . 124 THR CA . 26915 1 558 . 1 1 124 124 THR CB C 13 69.085 0.3 . 1 . . . . 124 THR CB . 26915 1 559 . 1 1 124 124 THR N N 15 110.491 0.241 . 1 . . . . 124 THR N . 26915 1 560 . 1 1 125 125 GLU H H 1 7.744 0.041 . 1 . . . . 125 GLU HN . 26915 1 561 . 1 1 125 125 GLU C C 13 176.038 0.3 . 1 . . . . 125 GLU C . 26915 1 562 . 1 1 125 125 GLU CA C 13 56.044 0.3 . 1 . . . . 125 GLU CA . 26915 1 563 . 1 1 125 125 GLU CB C 13 29.240 0.3 . 1 . . . . 125 GLU CB . 26915 1 564 . 1 1 125 125 GLU N N 15 123.518 0.026 . 1 . . . . 125 GLU N . 26915 1 565 . 1 1 126 126 ARG H H 1 8.185 0.016 . 1 . . . . 126 ARG HN . 26915 1 566 . 1 1 126 126 ARG C C 13 174.117 0.3 . 1 . . . . 126 ARG C . 26915 1 567 . 1 1 126 126 ARG CA C 13 53.291 0.3 . 1 . . . . 126 ARG CA . 26915 1 568 . 1 1 126 126 ARG CB C 13 29.026 0.3 . 1 . . . . 126 ARG CB . 26915 1 569 . 1 1 126 126 ARG N N 15 123.699 0.139 . 1 . . . . 126 ARG N . 26915 1 570 . 1 1 128 128 ALA H H 1 8.248 0.002 . 1 . . . . 128 ALA HN . 26915 1 571 . 1 1 128 128 ALA C C 13 177.496 0.3 . 1 . . . . 128 ALA C . 26915 1 572 . 1 1 128 128 ALA CA C 13 51.751 0.3 . 1 . . . . 128 ALA CA . 26915 1 573 . 1 1 128 128 ALA CB C 13 18.209 0.3 . 1 . . . . 128 ALA CB . 26915 1 574 . 1 1 128 128 ALA N N 15 124.654 0.059 . 1 . . . . 128 ALA N . 26915 1 575 . 1 1 129 129 ALA H H 1 8.125 0.003 . 1 . . . . 129 ALA HN . 26915 1 576 . 1 1 129 129 ALA C C 13 177.642 0.3 . 1 . . . . 129 ALA C . 26915 1 577 . 1 1 129 129 ALA CA C 13 51.800 0.3 . 1 . . . . 129 ALA CA . 26915 1 578 . 1 1 129 129 ALA CB C 13 18.206 0.3 . 1 . . . . 129 ALA CB . 26915 1 579 . 1 1 129 129 ALA N N 15 123.867 0.026 . 1 . . . . 129 ALA N . 26915 1 580 . 1 1 130 130 LYS H H 1 8.143 0.002 . 1 . . . . 130 LYS HN . 26915 1 581 . 1 1 130 130 LYS C C 13 177.055 0.3 . 1 . . . . 130 LYS C . 26915 1 582 . 1 1 130 130 LYS CA C 13 55.836 0.3 . 1 . . . . 130 LYS CA . 26915 1 583 . 1 1 130 130 LYS CB C 13 31.799 0.3 . 1 . . . . 130 LYS CB . 26915 1 584 . 1 1 130 130 LYS N N 15 121.093 0.021 . 1 . . . . 130 LYS N . 26915 1 585 . 1 1 131 131 GLY H H 1 8.215 0.005 . 1 . . . . 131 GLY HN . 26915 1 586 . 1 1 131 131 GLY C C 13 173.607 0.3 . 1 . . . . 131 GLY C . 26915 1 587 . 1 1 131 131 GLY CA C 13 44.500 0.3 . 1 . . . . 131 GLY CA . 26915 1 588 . 1 1 131 131 GLY N N 15 110.321 0.041 . 1 . . . . 131 GLY N . 26915 1 589 . 1 1 132 132 LYS H H 1 8.012 0.004 . 1 . . . . 132 LYS HN . 26915 1 590 . 1 1 132 132 LYS C C 13 176.425 0.3 . 1 . . . . 132 LYS C . 26915 1 591 . 1 1 132 132 LYS CA C 13 55.425 0.3 . 1 . . . . 132 LYS CA . 26915 1 592 . 1 1 132 132 LYS CB C 13 31.961 0.3 . 1 . . . . 132 LYS CB . 26915 1 593 . 1 1 132 132 LYS N N 15 121.235 0.020 . 1 . . . . 132 LYS N . 26915 1 594 . 1 1 133 133 MET H H 1 8.280 0.007 . 1 . . . . 133 MET HN . 26915 1 595 . 1 1 133 133 MET C C 13 174.211 0.3 . 1 . . . . 133 MET C . 26915 1 596 . 1 1 133 133 MET CA C 13 52.706 0.3 . 1 . . . . 133 MET CA . 26915 1 597 . 1 1 133 133 MET CB C 13 31.520 0.3 . 1 . . . . 133 MET CB . 26915 1 598 . 1 1 133 133 MET N N 15 123.605 0.052 . 1 . . . . 133 MET N . 26915 1 599 . 1 1 135 135 ALA H H 1 8.314 0.001 . 1 . . . . 135 ALA HN . 26915 1 600 . 1 1 135 135 ALA C C 13 177.790 0.3 . 1 . . . . 135 ALA C . 26915 1 601 . 1 1 135 135 ALA CA C 13 51.980 0.3 . 1 . . . . 135 ALA CA . 26915 1 602 . 1 1 135 135 ALA CB C 13 18.228 0.3 . 1 . . . . 135 ALA CB . 26915 1 603 . 1 1 135 135 ALA N N 15 124.696 0.039 . 1 . . . . 135 ALA N . 26915 1 604 . 1 1 136 136 THR H H 1 7.894 0.008 . 1 . . . . 136 THR HN . 26915 1 605 . 1 1 136 136 THR C C 13 173.905 0.3 . 1 . . . . 136 THR C . 26915 1 606 . 1 1 136 136 THR CA C 13 60.977 0.3 . 1 . . . . 136 THR CA . 26915 1 607 . 1 1 136 136 THR CB C 13 69.327 0.3 . 1 . . . . 136 THR CB . 26915 1 608 . 1 1 136 136 THR N N 15 113.438 0.076 . 1 . . . . 136 THR N . 26915 1 609 . 1 1 137 137 ALA H H 1 8.161 0.004 . 1 . . . . 137 ALA HN . 26915 1 610 . 1 1 137 137 ALA C C 13 176.446 0.3 . 1 . . . . 137 ALA C . 26915 1 611 . 1 1 137 137 ALA CA C 13 51.847 0.3 . 1 . . . . 137 ALA CA . 26915 1 612 . 1 1 137 137 ALA CB C 13 18.366 0.3 . 1 . . . . 137 ALA CB . 26915 1 613 . 1 1 137 137 ALA N N 15 127.111 0.045 . 1 . . . . 137 ALA N . 26915 1 614 . 1 1 138 138 GLU H H 1 7.795 0.003 . 1 . . . . 138 GLU HN . 26915 1 615 . 1 1 138 138 GLU C C 13 181.040 0.3 . 1 . . . . 138 GLU C . 26915 1 616 . 1 1 138 138 GLU CA C 13 57.410 0.3 . 1 . . . . 138 GLU CA . 26915 1 617 . 1 1 138 138 GLU CB C 13 30.169 0.3 . 1 . . . . 138 GLU CB . 26915 1 618 . 1 1 138 138 GLU N N 15 125.940 0.031 . 1 . . . . 138 GLU N . 26915 1 stop_ save_