data_27027 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27027 _Entry.Title ; N-terminally acetylated beta-Synuclein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-06 _Entry.Accession_date 2017-02-06 _Entry.Last_release_date 2017-02-06 _Entry.Original_release_date 2017-02-06 _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 Marco Miotto . C. . . 27027 2 Mayra Pavese . D. . . 27027 3 Liliana Quintanar . . . . 27027 4 Markus Zweckstetter . . . . 27027 5 Christian Griesinger . . . . 27027 6 Claudio Fernandez . O. . . 27027 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27027 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 27027 '15N chemical shifts' 126 27027 '1H chemical shifts' 255 27027 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 . . 2017-09-14 2017-02-06 update BMRB 'update entry citation' 27027 1 . . 2017-08-23 2017-02-06 original author 'original release' 27027 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27027 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28820253 _Citation.Full_citation . _Citation.Title ; Bioinorganic Chemistry of Parkinson's Disease: Affinity and Structural Features of Cu(I) Binding to the Full-Length beta-Synuclein Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Inorg. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 56 _Citation.Journal_issue 17 _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 10387 _Citation.Page_last 10395 _Citation.Year 2017 _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 Marco Miotto . C. . . 27027 1 2 Mayra Pavese . D. . . 27027 1 3 Liliana Quintanar . . . . 27027 1 4 Markus Zweckstetter . . . . 27027 1 5 Christian Griesinger . . . . 27027 1 6 Claudio Fernandez . O. . . 27027 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27027 _Assembly.ID 1 _Assembly.Name AcBS _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 AcBS 1 $AcBS A . yes 'intrinsically disordered' no no . . 'monomeric N-terminally acetylated beta-synuclein' 27027 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AcBS _Entity.Sf_category entity _Entity.Sf_framecode AcBS _Entity.Entry_ID 27027 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AcBS _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 ; XMDVFMKGLSMAKEGVVAAA EKTKQGVTEAAEKTKEGVLY VGSKTREGVVQGVASVAEKT KEQASHLGGAVFSGAGNIAA ATGLVKREEFPTDLKPEEVA QEAAEEPLIEPLMEPEGESY EDPPQEEYQEYEPEA ; _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 135 _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 'N-terminal acetylation of residue Met1' _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 0 ACE . 27027 1 2 1 MET . 27027 1 3 2 ASP . 27027 1 4 3 VAL . 27027 1 5 4 PHE . 27027 1 6 5 MET . 27027 1 7 6 LYS . 27027 1 8 7 GLY . 27027 1 9 8 LEU . 27027 1 10 9 SER . 27027 1 11 10 MET . 27027 1 12 11 ALA . 27027 1 13 12 LYS . 27027 1 14 13 GLU . 27027 1 15 14 GLY . 27027 1 16 15 VAL . 27027 1 17 16 VAL . 27027 1 18 17 ALA . 27027 1 19 18 ALA . 27027 1 20 19 ALA . 27027 1 21 20 GLU . 27027 1 22 21 LYS . 27027 1 23 22 THR . 27027 1 24 23 LYS . 27027 1 25 24 GLN . 27027 1 26 25 GLY . 27027 1 27 26 VAL . 27027 1 28 27 THR . 27027 1 29 28 GLU . 27027 1 30 29 ALA . 27027 1 31 30 ALA . 27027 1 32 31 GLU . 27027 1 33 32 LYS . 27027 1 34 33 THR . 27027 1 35 34 LYS . 27027 1 36 35 GLU . 27027 1 37 36 GLY . 27027 1 38 37 VAL . 27027 1 39 38 LEU . 27027 1 40 39 TYR . 27027 1 41 40 VAL . 27027 1 42 41 GLY . 27027 1 43 42 SER . 27027 1 44 43 LYS . 27027 1 45 44 THR . 27027 1 46 45 ARG . 27027 1 47 46 GLU . 27027 1 48 47 GLY . 27027 1 49 48 VAL . 27027 1 50 49 VAL . 27027 1 51 50 GLN . 27027 1 52 51 GLY . 27027 1 53 52 VAL . 27027 1 54 53 ALA . 27027 1 55 54 SER . 27027 1 56 55 VAL . 27027 1 57 56 ALA . 27027 1 58 57 GLU . 27027 1 59 58 LYS . 27027 1 60 59 THR . 27027 1 61 60 LYS . 27027 1 62 61 GLU . 27027 1 63 62 GLN . 27027 1 64 63 ALA . 27027 1 65 64 SER . 27027 1 66 65 HIS . 27027 1 67 66 LEU . 27027 1 68 67 GLY . 27027 1 69 68 GLY . 27027 1 70 69 ALA . 27027 1 71 70 VAL . 27027 1 72 71 PHE . 27027 1 73 72 SER . 27027 1 74 73 GLY . 27027 1 75 74 ALA . 27027 1 76 75 GLY . 27027 1 77 76 ASN . 27027 1 78 77 ILE . 27027 1 79 78 ALA . 27027 1 80 79 ALA . 27027 1 81 80 ALA . 27027 1 82 81 THR . 27027 1 83 82 GLY . 27027 1 84 83 LEU . 27027 1 85 84 VAL . 27027 1 86 85 LYS . 27027 1 87 86 ARG . 27027 1 88 87 GLU . 27027 1 89 88 GLU . 27027 1 90 89 PHE . 27027 1 91 90 PRO . 27027 1 92 91 THR . 27027 1 93 92 ASP . 27027 1 94 93 LEU . 27027 1 95 94 LYS . 27027 1 96 95 PRO . 27027 1 97 96 GLU . 27027 1 98 97 GLU . 27027 1 99 98 VAL . 27027 1 100 99 ALA . 27027 1 101 100 GLN . 27027 1 102 101 GLU . 27027 1 103 102 ALA . 27027 1 104 103 ALA . 27027 1 105 104 GLU . 27027 1 106 105 GLU . 27027 1 107 106 PRO . 27027 1 108 107 LEU . 27027 1 109 108 ILE . 27027 1 110 109 GLU . 27027 1 111 110 PRO . 27027 1 112 111 LEU . 27027 1 113 112 MET . 27027 1 114 113 GLU . 27027 1 115 114 PRO . 27027 1 116 115 GLU . 27027 1 117 116 GLY . 27027 1 118 117 GLU . 27027 1 119 118 SER . 27027 1 120 119 TYR . 27027 1 121 120 GLU . 27027 1 122 121 ASP . 27027 1 123 122 PRO . 27027 1 124 123 PRO . 27027 1 125 124 GLN . 27027 1 126 125 GLU . 27027 1 127 126 GLU . 27027 1 128 127 TYR . 27027 1 129 128 GLN . 27027 1 130 129 GLU . 27027 1 131 130 TYR . 27027 1 132 131 GLU . 27027 1 133 132 PRO . 27027 1 134 133 GLU . 27027 1 135 134 ALA . 27027 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 . ACE 1 1 27027 1 . MET 2 2 27027 1 . ASP 3 3 27027 1 . VAL 4 4 27027 1 . PHE 5 5 27027 1 . MET 6 6 27027 1 . LYS 7 7 27027 1 . GLY 8 8 27027 1 . LEU 9 9 27027 1 . SER 10 10 27027 1 . MET 11 11 27027 1 . ALA 12 12 27027 1 . LYS 13 13 27027 1 . GLU 14 14 27027 1 . GLY 15 15 27027 1 . VAL 16 16 27027 1 . VAL 17 17 27027 1 . ALA 18 18 27027 1 . ALA 19 19 27027 1 . ALA 20 20 27027 1 . GLU 21 21 27027 1 . LYS 22 22 27027 1 . THR 23 23 27027 1 . LYS 24 24 27027 1 . GLN 25 25 27027 1 . GLY 26 26 27027 1 . VAL 27 27 27027 1 . THR 28 28 27027 1 . GLU 29 29 27027 1 . ALA 30 30 27027 1 . ALA 31 31 27027 1 . GLU 32 32 27027 1 . LYS 33 33 27027 1 . THR 34 34 27027 1 . LYS 35 35 27027 1 . GLU 36 36 27027 1 . GLY 37 37 27027 1 . VAL 38 38 27027 1 . LEU 39 39 27027 1 . TYR 40 40 27027 1 . VAL 41 41 27027 1 . GLY 42 42 27027 1 . SER 43 43 27027 1 . LYS 44 44 27027 1 . THR 45 45 27027 1 . ARG 46 46 27027 1 . GLU 47 47 27027 1 . GLY 48 48 27027 1 . VAL 49 49 27027 1 . VAL 50 50 27027 1 . GLN 51 51 27027 1 . GLY 52 52 27027 1 . VAL 53 53 27027 1 . ALA 54 54 27027 1 . SER 55 55 27027 1 . VAL 56 56 27027 1 . ALA 57 57 27027 1 . GLU 58 58 27027 1 . LYS 59 59 27027 1 . THR 60 60 27027 1 . LYS 61 61 27027 1 . GLU 62 62 27027 1 . GLN 63 63 27027 1 . ALA 64 64 27027 1 . SER 65 65 27027 1 . HIS 66 66 27027 1 . LEU 67 67 27027 1 . GLY 68 68 27027 1 . GLY 69 69 27027 1 . ALA 70 70 27027 1 . VAL 71 71 27027 1 . PHE 72 72 27027 1 . SER 73 73 27027 1 . GLY 74 74 27027 1 . ALA 75 75 27027 1 . GLY 76 76 27027 1 . ASN 77 77 27027 1 . ILE 78 78 27027 1 . ALA 79 79 27027 1 . ALA 80 80 27027 1 . ALA 81 81 27027 1 . THR 82 82 27027 1 . GLY 83 83 27027 1 . LEU 84 84 27027 1 . VAL 85 85 27027 1 . LYS 86 86 27027 1 . ARG 87 87 27027 1 . GLU 88 88 27027 1 . GLU 89 89 27027 1 . PHE 90 90 27027 1 . PRO 91 91 27027 1 . THR 92 92 27027 1 . ASP 93 93 27027 1 . LEU 94 94 27027 1 . LYS 95 95 27027 1 . PRO 96 96 27027 1 . GLU 97 97 27027 1 . GLU 98 98 27027 1 . VAL 99 99 27027 1 . ALA 100 100 27027 1 . GLN 101 101 27027 1 . GLU 102 102 27027 1 . ALA 103 103 27027 1 . ALA 104 104 27027 1 . GLU 105 105 27027 1 . GLU 106 106 27027 1 . PRO 107 107 27027 1 . LEU 108 108 27027 1 . ILE 109 109 27027 1 . GLU 110 110 27027 1 . PRO 111 111 27027 1 . LEU 112 112 27027 1 . MET 113 113 27027 1 . GLU 114 114 27027 1 . PRO 115 115 27027 1 . GLU 116 116 27027 1 . GLY 117 117 27027 1 . GLU 118 118 27027 1 . SER 119 119 27027 1 . TYR 120 120 27027 1 . GLU 121 121 27027 1 . ASP 122 122 27027 1 . PRO 123 123 27027 1 . PRO 124 124 27027 1 . GLN 125 125 27027 1 . GLU 126 126 27027 1 . GLU 127 127 27027 1 . TYR 128 128 27027 1 . GLN 129 129 27027 1 . GLU 130 130 27027 1 . TYR 131 131 27027 1 . GLU 132 132 27027 1 . PRO 133 133 27027 1 . GLU 134 134 27027 1 . ALA 135 135 27027 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 27027 _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 $AcBS . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27027 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 27027 _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 $AcBS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pT7 . . . 27027 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27027 _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 AcBS '[U-100% 13C; U-100% 15N]' . . 1 $AcBS . . 0.2 . . mM . . . . 27027 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27027 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 27027 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 27027 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'MES 20mM, NaCl 100mM, pH 6.5, 288K' 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' 100 . mM 27027 1 pH 6.5 . pH 27027 1 pressure 1 . atm 27027 1 temperature 288 . K 27027 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27027 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27027 1 'Keller and Wuthrich' . . 27027 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27027 1 collection 27027 1 processing 27027 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 27027 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27027 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27027 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 27027 _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 . . . . . . . . . . . . . . . . 27027 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27027 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27027 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27027 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27027 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 27027 _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 . . . . . 27027 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27027 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27027 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 27027 _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' . . . 27027 1 2 '3D HNCO' . . . 27027 1 3 '3D HNCACB' . . . 27027 1 4 '3D CBCA(CO)NH' . . . 27027 1 5 '3D HNHA' . . . 27027 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 2 2 MET H H 1 8.453 0.020 . 1 . . . . 1 MET H . 27027 1 2 . 1 1 2 2 MET HA H 1 4.429 0.020 . 1 . . . . 1 MET HA . 27027 1 3 . 1 1 2 2 MET C C 13 176.580 0.3 . 1 . . . . 1 MET C . 27027 1 4 . 1 1 2 2 MET CA C 13 55.963 0.3 . 1 . . . . 1 MET CA . 27027 1 5 . 1 1 2 2 MET CB C 13 32.817 0.3 . 1 . . . . 1 MET CB . 27027 1 6 . 1 1 2 2 MET N N 15 125.852 0.3 . 1 . . . . 1 MET N . 27027 1 7 . 1 1 3 3 ASP H H 1 8.531 0.020 . 1 . . . . 2 ASP H . 27027 1 8 . 1 1 3 3 ASP HA H 1 4.567 0.020 . 1 . . . . 2 ASP HA . 27027 1 9 . 1 1 3 3 ASP C C 13 176.655 0.3 . 1 . . . . 2 ASP C . 27027 1 10 . 1 1 3 3 ASP CA C 13 54.467 0.3 . 1 . . . . 2 ASP CA . 27027 1 11 . 1 1 3 3 ASP CB C 13 40.699 0.3 . 1 . . . . 2 ASP CB . 27027 1 12 . 1 1 3 3 ASP N N 15 120.910 0.3 . 1 . . . . 2 ASP N . 27027 1 13 . 1 1 4 4 VAL H H 1 7.909 0.020 . 1 . . . . 3 VAL H . 27027 1 14 . 1 1 4 4 VAL HA H 1 3.960 0.020 . 1 . . . . 3 VAL HA . 27027 1 15 . 1 1 4 4 VAL C C 13 176.519 0.3 . 1 . . . . 3 VAL C . 27027 1 16 . 1 1 4 4 VAL CA C 13 63.246 0.3 . 1 . . . . 3 VAL CA . 27027 1 17 . 1 1 4 4 VAL CB C 13 32.318 0.3 . 1 . . . . 3 VAL CB . 27027 1 18 . 1 1 4 4 VAL N N 15 119.431 0.3 . 1 . . . . 3 VAL N . 27027 1 19 . 1 1 5 5 PHE H H 1 8.207 0.020 . 1 . . . . 4 PHE H . 27027 1 20 . 1 1 5 5 PHE HA H 1 4.567 0.020 . 1 . . . . 4 PHE HA . 27027 1 21 . 1 1 5 5 PHE C C 13 176.338 0.3 . 1 . . . . 4 PHE C . 27027 1 22 . 1 1 5 5 PHE CA C 13 58.358 0.3 . 1 . . . . 4 PHE CA . 27027 1 23 . 1 1 5 5 PHE CB C 13 39.103 0.3 . 1 . . . . 4 PHE CB . 27027 1 24 . 1 1 5 5 PHE N N 15 122.602 0.3 . 1 . . . . 4 PHE N . 27027 1 25 . 1 1 6 6 MET H H 1 8.233 0.020 . 1 . . . . 5 MET H . 27027 1 26 . 1 1 6 6 MET HA H 1 4.354 0.020 . 1 . . . . 5 MET HA . 27027 1 27 . 1 1 6 6 MET C C 13 176.444 0.3 . 1 . . . . 5 MET C . 27027 1 28 . 1 1 6 6 MET CA C 13 55.863 0.3 . 1 . . . . 5 MET CA . 27027 1 29 . 1 1 6 6 MET CB C 13 32.318 0.3 . 1 . . . . 5 MET CB . 27027 1 30 . 1 1 6 6 MET N N 15 121.064 0.3 . 1 . . . . 5 MET N . 27027 1 31 . 1 1 7 7 LYS H H 1 8.219 0.020 . 1 . . . . 6 LYS H . 27027 1 32 . 1 1 7 7 LYS HA H 1 4.198 0.020 . 1 . . . . 6 LYS HA . 27027 1 33 . 1 1 7 7 LYS C C 13 177.366 0.3 . 1 . . . . 6 LYS C . 27027 1 34 . 1 1 7 7 LYS CA C 13 57.160 0.3 . 1 . . . . 6 LYS CA . 27027 1 35 . 1 1 7 7 LYS CB C 13 32.518 0.3 . 1 . . . . 6 LYS CB . 27027 1 36 . 1 1 7 7 LYS N N 15 121.939 0.3 . 1 . . . . 6 LYS N . 27027 1 37 . 1 1 8 8 GLY H H 1 8.347 0.020 . 1 . . . . 7 GLY H . 27027 1 38 . 1 1 8 8 GLY HA2 H 1 3.942 0.020 . 1 . . . . 7 GLY HA2 . 27027 1 39 . 1 1 8 8 GLY HA3 H 1 3.942 0.020 . 1 . . . . 7 GLY HA3 . 27027 1 40 . 1 1 8 8 GLY C C 13 174.433 0.3 . 1 . . . . 7 GLY C . 27027 1 41 . 1 1 8 8 GLY CA C 13 45.388 0.3 . 1 . . . . 7 GLY CA . 27027 1 42 . 1 1 8 8 GLY N N 15 109.381 0.3 . 1 . . . . 7 GLY N . 27027 1 43 . 1 1 9 9 LEU H H 1 8.009 0.020 . 1 . . . . 8 LEU H . 27027 1 44 . 1 1 9 9 LEU HA H 1 4.354 0.020 . 1 . . . . 8 LEU HA . 27027 1 45 . 1 1 9 9 LEU C C 13 177.759 0.3 . 1 . . . . 8 LEU C . 27027 1 46 . 1 1 9 9 LEU CA C 13 55.365 0.3 . 1 . . . . 8 LEU CA . 27027 1 47 . 1 1 9 9 LEU CB C 13 42.295 0.3 . 1 . . . . 8 LEU CB . 27027 1 48 . 1 1 9 9 LEU N N 15 121.526 0.3 . 1 . . . . 8 LEU N . 27027 1 49 . 1 1 10 10 SER H H 1 8.312 0.020 . 1 . . . . 9 SER H . 27027 1 50 . 1 1 10 10 SER HA H 1 4.417 0.020 . 1 . . . . 9 SER HA . 27027 1 51 . 1 1 10 10 SER C C 13 174.720 0.3 . 1 . . . . 9 SER C . 27027 1 52 . 1 1 10 10 SER CA C 13 58.457 0.3 . 1 . . . . 9 SER CA . 27027 1 53 . 1 1 10 10 SER CB C 13 63.545 0.3 . 1 . . . . 9 SER CB . 27027 1 54 . 1 1 10 10 SER N N 15 116.189 0.3 . 1 . . . . 9 SER N . 27027 1 55 . 1 1 11 11 MET H H 1 8.350 0.020 . 1 . . . . 10 MET H . 27027 1 56 . 1 1 11 11 MET C C 13 176.081 0.3 . 1 . . . . 10 MET C . 27027 1 57 . 1 1 11 11 MET CA C 13 55.464 0.3 . 1 . . . . 10 MET CA . 27027 1 58 . 1 1 11 11 MET CB C 13 32.718 0.3 . 1 . . . . 10 MET CB . 27027 1 59 . 1 1 11 11 MET N N 15 122.296 0.3 . 1 . . . . 10 MET N . 27027 1 60 . 1 1 12 12 ALA H H 1 8.252 0.020 . 1 . . . . 11 ALA H . 27027 1 61 . 1 1 12 12 ALA HA H 1 4.304 0.020 . 1 . . . . 11 ALA HA . 27027 1 62 . 1 1 12 12 ALA C C 13 177.834 0.3 . 1 . . . . 11 ALA C . 27027 1 63 . 1 1 12 12 ALA CA C 13 52.571 0.3 . 1 . . . . 11 ALA CA . 27027 1 64 . 1 1 12 12 ALA CB C 13 19.049 0.3 . 1 . . . . 11 ALA CB . 27027 1 65 . 1 1 12 12 ALA N N 15 125.100 0.3 . 1 . . . . 11 ALA N . 27027 1 66 . 1 1 13 13 LYS H H 1 8.343 0.020 . 1 . . . . 12 LYS H . 27027 1 67 . 1 1 13 13 LYS HA H 1 4.286 0.020 . 1 . . . . 12 LYS HA . 27027 1 68 . 1 1 13 13 LYS C C 13 176.716 0.3 . 1 . . . . 12 LYS C . 27027 1 69 . 1 1 13 13 LYS CA C 13 56.362 0.3 . 1 . . . . 12 LYS CA . 27027 1 70 . 1 1 13 13 LYS CB C 13 32.917 0.3 . 1 . . . . 12 LYS CB . 27027 1 71 . 1 1 13 13 LYS N N 15 120.951 0.3 . 1 . . . . 12 LYS N . 27027 1 72 . 1 1 14 14 GLU H H 1 8.485 0.020 . 1 . . . . 13 GLU H . 27027 1 73 . 1 1 14 14 GLU HA H 1 4.254 0.020 . 1 . . . . 13 GLU HA . 27027 1 74 . 1 1 14 14 GLU C C 13 177.060 0.3 . 1 . . . . 13 GLU C . 27027 1 75 . 1 1 14 14 GLU CA C 13 56.661 0.3 . 1 . . . . 13 GLU CA . 27027 1 76 . 1 1 14 14 GLU CB C 13 30.024 0.3 . 1 . . . . 13 GLU CB . 27027 1 77 . 1 1 14 14 GLU N N 15 121.826 0.3 . 1 . . . . 13 GLU N . 27027 1 78 . 1 1 15 15 GLY H H 1 8.454 0.020 . 1 . . . . 14 GLY H . 27027 1 79 . 1 1 15 15 GLY HA2 H 1 3.948 0.020 . 1 . . . . 14 GLY HA2 . 27027 1 80 . 1 1 15 15 GLY HA3 H 1 3.948 0.020 . 1 . . . . 14 GLY HA3 . 27027 1 81 . 1 1 15 15 GLY C C 13 174.040 0.3 . 1 . . . . 14 GLY C . 27027 1 82 . 1 1 15 15 GLY CA C 13 45.188 0.3 . 1 . . . . 14 GLY CA . 27027 1 83 . 1 1 15 15 GLY N N 15 110.083 0.3 . 1 . . . . 14 GLY N . 27027 1 84 . 1 1 16 16 VAL H H 1 7.985 0.020 . 1 . . . . 15 VAL H . 27027 1 85 . 1 1 16 16 VAL HA H 1 4.098 0.020 . 1 . . . . 15 VAL HA . 27027 1 86 . 1 1 16 16 VAL C C 13 176.474 0.3 . 1 . . . . 15 VAL C . 27027 1 87 . 1 1 16 16 VAL CA C 13 62.647 0.3 . 1 . . . . 15 VAL CA . 27027 1 88 . 1 1 16 16 VAL CB C 13 32.418 0.3 . 1 . . . . 15 VAL CB . 27027 1 89 . 1 1 16 16 VAL N N 15 120.153 0.3 . 1 . . . . 15 VAL N . 27027 1 90 . 1 1 17 17 VAL H H 1 8.303 0.020 . 1 . . . . 16 VAL H . 27027 1 91 . 1 1 17 17 VAL HA H 1 4.067 0.020 . 1 . . . . 16 VAL HA . 27027 1 92 . 1 1 17 17 VAL C C 13 176.020 0.3 . 1 . . . . 16 VAL C . 27027 1 93 . 1 1 17 17 VAL CA C 13 62.448 0.3 . 1 . . . . 16 VAL CA . 27027 1 94 . 1 1 17 17 VAL CB C 13 32.518 0.3 . 1 . . . . 16 VAL CB . 27027 1 95 . 1 1 17 17 VAL N N 15 125.128 0.3 . 1 . . . . 16 VAL N . 27027 1 96 . 1 1 18 18 ALA H H 1 8.463 0.020 . 1 . . . . 17 ALA H . 27027 1 97 . 1 1 18 18 ALA HA H 1 4.286 0.020 . 1 . . . . 17 ALA HA . 27027 1 98 . 1 1 18 18 ALA C C 13 177.668 0.3 . 1 . . . . 17 ALA C . 27027 1 99 . 1 1 18 18 ALA CA C 13 52.471 0.3 . 1 . . . . 17 ALA CA . 27027 1 100 . 1 1 18 18 ALA CB C 13 18.950 0.3 . 1 . . . . 17 ALA CB . 27027 1 101 . 1 1 18 18 ALA N N 15 128.362 0.3 . 1 . . . . 17 ALA N . 27027 1 102 . 1 1 19 19 ALA H H 1 8.328 0.020 . 1 . . . . 18 ALA H . 27027 1 103 . 1 1 19 19 ALA HA H 1 4.236 0.020 . 1 . . . . 18 ALA HA . 27027 1 104 . 1 1 19 19 ALA C C 13 177.925 0.3 . 1 . . . . 18 ALA C . 27027 1 105 . 1 1 19 19 ALA CA C 13 52.571 0.3 . 1 . . . . 18 ALA CA . 27027 1 106 . 1 1 19 19 ALA CB C 13 18.950 0.3 . 1 . . . . 18 ALA CB . 27027 1 107 . 1 1 19 19 ALA N N 15 123.681 0.3 . 1 . . . . 18 ALA N . 27027 1 108 . 1 1 20 20 ALA H H 1 8.292 0.020 . 1 . . . . 19 ALA H . 27027 1 109 . 1 1 20 20 ALA HA H 1 4.267 0.020 . 1 . . . . 19 ALA HA . 27027 1 110 . 1 1 20 20 ALA C C 13 178.182 0.3 . 1 . . . . 19 ALA C . 27027 1 111 . 1 1 20 20 ALA CA C 13 52.671 0.3 . 1 . . . . 19 ALA CA . 27027 1 112 . 1 1 20 20 ALA CB C 13 19.049 0.3 . 1 . . . . 19 ALA CB . 27027 1 113 . 1 1 20 20 ALA N N 15 123.120 0.3 . 1 . . . . 19 ALA N . 27027 1 114 . 1 1 21 21 GLU H H 1 8.354 0.020 . 1 . . . . 20 GLU H . 27027 1 115 . 1 1 21 21 GLU HA H 1 4.229 0.020 . 1 . . . . 20 GLU HA . 27027 1 116 . 1 1 21 21 GLU C C 13 176.852 0.3 . 1 . . . . 20 GLU C . 27027 1 117 . 1 1 21 21 GLU CA C 13 56.661 0.3 . 1 . . . . 20 GLU CA . 27027 1 118 . 1 1 21 21 GLU CB C 13 30.124 0.3 . 1 . . . . 20 GLU CB . 27027 1 119 . 1 1 21 21 GLU N N 15 120.099 0.3 . 1 . . . . 20 GLU N . 27027 1 120 . 1 1 22 22 LYS H H 1 8.359 0.020 . 1 . . . . 21 LYS H . 27027 1 121 . 1 1 22 22 LYS C C 13 177.109 0.3 . 1 . . . . 21 LYS C . 27027 1 122 . 1 1 22 22 LYS CA C 13 56.562 0.3 . 1 . . . . 21 LYS CA . 27027 1 123 . 1 1 22 22 LYS CB C 13 32.718 0.3 . 1 . . . . 21 LYS CB . 27027 1 124 . 1 1 22 22 LYS N N 15 122.281 0.3 . 1 . . . . 21 LYS N . 27027 1 125 . 1 1 23 23 THR H H 1 8.150 0.020 . 1 . . . . 22 THR H . 27027 1 126 . 1 1 23 23 THR HA H 1 4.279 0.020 . 1 . . . . 22 THR HA . 27027 1 127 . 1 1 23 23 THR C C 13 174.690 0.3 . 1 . . . . 22 THR C . 27027 1 128 . 1 1 23 23 THR CA C 13 62.248 0.3 . 1 . . . . 22 THR CA . 27027 1 129 . 1 1 23 23 THR CB C 13 69.731 0.3 . 1 . . . . 22 THR CB . 27027 1 130 . 1 1 23 23 THR N N 15 115.224 0.3 . 1 . . . . 22 THR N . 27027 1 131 . 1 1 24 24 LYS H H 1 8.358 0.020 . 1 . . . . 23 LYS H . 27027 1 132 . 1 1 24 24 LYS HA H 1 4.292 0.020 . 1 . . . . 23 LYS HA . 27027 1 133 . 1 1 24 24 LYS C C 13 176.595 0.3 . 1 . . . . 23 LYS C . 27027 1 134 . 1 1 24 24 LYS CA C 13 56.661 0.3 . 1 . . . . 23 LYS CA . 27027 1 135 . 1 1 24 24 LYS CB C 13 32.718 0.3 . 1 . . . . 23 LYS CB . 27027 1 136 . 1 1 24 24 LYS N N 15 123.834 0.3 . 1 . . . . 23 LYS N . 27027 1 137 . 1 1 25 25 GLN H H 1 8.440 0.020 . 1 . . . . 24 GLN H . 27027 1 138 . 1 1 25 25 GLN HA H 1 4.267 0.020 . 1 . . . . 24 GLN HA . 27027 1 139 . 1 1 25 25 GLN C C 13 177.018 0.3 . 1 . . . . 24 GLN C . 27027 1 140 . 1 1 25 25 GLN CA C 13 56.262 0.3 . 1 . . . . 24 GLN CA . 27027 1 141 . 1 1 25 25 GLN CB C 13 29.325 0.3 . 1 . . . . 24 GLN CB . 27027 1 142 . 1 1 25 25 GLN N N 15 121.779 0.3 . 1 . . . . 24 GLN N . 27027 1 143 . 1 1 26 26 GLY H H 1 8.512 0.020 . 1 . . . . 25 GLY H . 27027 1 144 . 1 1 26 26 GLY HA2 H 1 3.973 0.020 . 1 . . . . 25 GLY HA2 . 27027 1 145 . 1 1 26 26 GLY HA3 H 1 3.973 0.020 . 1 . . . . 25 GLY HA3 . 27027 1 146 . 1 1 26 26 GLY C C 13 174.161 0.3 . 1 . . . . 25 GLY C . 27027 1 147 . 1 1 26 26 GLY CA C 13 45.288 0.3 . 1 . . . . 25 GLY CA . 27027 1 148 . 1 1 26 26 GLY N N 15 110.552 0.3 . 1 . . . . 25 GLY N . 27027 1 149 . 1 1 27 27 VAL H H 1 8.094 0.020 . 1 . . . . 26 VAL H . 27027 1 150 . 1 1 27 27 VAL HA H 1 4.173 0.020 . 1 . . . . 26 VAL HA . 27027 1 151 . 1 1 27 27 VAL C C 13 176.731 0.3 . 1 . . . . 26 VAL C . 27027 1 152 . 1 1 27 27 VAL CA C 13 62.548 0.3 . 1 . . . . 26 VAL CA . 27027 1 153 . 1 1 27 27 VAL CB C 13 32.518 0.3 . 1 . . . . 26 VAL CB . 27027 1 154 . 1 1 27 27 VAL N N 15 119.670 0.3 . 1 . . . . 26 VAL N . 27027 1 155 . 1 1 28 28 THR H H 1 8.337 0.020 . 1 . . . . 27 THR H . 27027 1 156 . 1 1 28 28 THR HA H 1 4.342 0.020 . 1 . . . . 27 THR HA . 27027 1 157 . 1 1 28 28 THR C C 13 174.645 0.3 . 1 . . . . 27 THR C . 27027 1 158 . 1 1 28 28 THR CA C 13 62.149 0.3 . 1 . . . . 27 THR CA . 27027 1 159 . 1 1 28 28 THR CB C 13 69.631 0.3 . 1 . . . . 27 THR CB . 27027 1 160 . 1 1 28 28 THR N N 15 118.571 0.3 . 1 . . . . 27 THR N . 27027 1 161 . 1 1 29 29 GLU H H 1 8.522 0.020 . 1 . . . . 28 GLU H . 27027 1 162 . 1 1 29 29 GLU HA H 1 4.267 0.020 . 1 . . . . 28 GLU HA . 27027 1 163 . 1 1 29 29 GLU C C 13 176.338 0.3 . 1 . . . . 28 GLU C . 27027 1 164 . 1 1 29 29 GLU CA C 13 56.462 0.3 . 1 . . . . 28 GLU CA . 27027 1 165 . 1 1 29 29 GLU CB C 13 30.124 0.3 . 1 . . . . 28 GLU CB . 27027 1 166 . 1 1 29 29 GLU N N 15 124.082 0.3 . 1 . . . . 28 GLU N . 27027 1 167 . 1 1 30 30 ALA H H 1 8.393 0.020 . 1 . . . . 29 ALA H . 27027 1 168 . 1 1 30 30 ALA HA H 1 4.254 0.020 . 1 . . . . 29 ALA HA . 27027 1 169 . 1 1 30 30 ALA C C 13 177.759 0.3 . 1 . . . . 29 ALA C . 27027 1 170 . 1 1 30 30 ALA CA C 13 52.671 0.3 . 1 . . . . 29 ALA CA . 27027 1 171 . 1 1 30 30 ALA CB C 13 18.950 0.3 . 1 . . . . 29 ALA CB . 27027 1 172 . 1 1 30 30 ALA N N 15 125.205 0.3 . 1 . . . . 29 ALA N . 27027 1 173 . 1 1 31 31 ALA H H 1 8.279 0.020 . 1 . . . . 30 ALA H . 27027 1 174 . 1 1 31 31 ALA HA H 1 4.273 0.020 . 1 . . . . 30 ALA HA . 27027 1 175 . 1 1 31 31 ALA C C 13 178.167 0.3 . 1 . . . . 30 ALA C . 27027 1 176 . 1 1 31 31 ALA CA C 13 52.671 0.3 . 1 . . . . 30 ALA CA . 27027 1 177 . 1 1 31 31 ALA CB C 13 19.049 0.3 . 1 . . . . 30 ALA CB . 27027 1 178 . 1 1 31 31 ALA N N 15 123.299 0.3 . 1 . . . . 30 ALA N . 27027 1 179 . 1 1 32 32 GLU H H 1 8.368 0.020 . 1 . . . . 31 GLU H . 27027 1 180 . 1 1 32 32 GLU HA H 1 4.229 0.020 . 1 . . . . 31 GLU HA . 27027 1 181 . 1 1 32 32 GLU C C 13 176.791 0.3 . 1 . . . . 31 GLU C . 27027 1 182 . 1 1 32 32 GLU CA C 13 56.661 0.3 . 1 . . . . 31 GLU CA . 27027 1 183 . 1 1 32 32 GLU CB C 13 30.124 0.3 . 1 . . . . 31 GLU CB . 27027 1 184 . 1 1 32 32 GLU N N 15 119.930 0.3 . 1 . . . . 31 GLU N . 27027 1 185 . 1 1 33 33 LYS H H 1 8.340 0.020 . 1 . . . . 32 LYS H . 27027 1 186 . 1 1 33 33 LYS HA H 1 4.361 0.020 . 1 . . . . 32 LYS HA . 27027 1 187 . 1 1 33 33 LYS C C 13 177.063 0.3 . 1 . . . . 32 LYS C . 27027 1 188 . 1 1 33 33 LYS CA C 13 56.562 0.3 . 1 . . . . 32 LYS CA . 27027 1 189 . 1 1 33 33 LYS CB C 13 32.917 0.3 . 1 . . . . 32 LYS CB . 27027 1 190 . 1 1 33 33 LYS N N 15 122.215 0.3 . 1 . . . . 32 LYS N . 27027 1 191 . 1 1 34 34 THR H H 1 8.185 0.020 . 1 . . . . 33 THR H . 27027 1 192 . 1 1 34 34 THR HA H 1 4.304 0.020 . 1 . . . . 33 THR HA . 27027 1 193 . 1 1 34 34 THR C C 13 174.766 0.3 . 1 . . . . 33 THR C . 27027 1 194 . 1 1 34 34 THR CA C 13 62.049 0.3 . 1 . . . . 33 THR CA . 27027 1 195 . 1 1 34 34 THR CB C 13 69.731 0.3 . 1 . . . . 33 THR CB . 27027 1 196 . 1 1 34 34 THR N N 15 115.407 0.3 . 1 . . . . 33 THR N . 27027 1 197 . 1 1 35 35 LYS H H 1 8.407 0.020 . 1 . . . . 34 LYS H . 27027 1 198 . 1 1 35 35 LYS HA H 1 4.279 0.020 . 1 . . . . 34 LYS HA . 27027 1 199 . 1 1 35 35 LYS C C 13 176.610 0.3 . 1 . . . . 34 LYS C . 27027 1 200 . 1 1 35 35 LYS CA C 13 56.562 0.3 . 1 . . . . 34 LYS CA . 27027 1 201 . 1 1 35 35 LYS CB C 13 32.718 0.3 . 1 . . . . 34 LYS CB . 27027 1 202 . 1 1 35 35 LYS N N 15 123.704 0.3 . 1 . . . . 34 LYS N . 27027 1 203 . 1 1 36 36 GLU H H 1 8.423 0.020 . 1 . . . . 35 GLU H . 27027 1 204 . 1 1 36 36 GLU HA H 1 4.261 0.020 . 1 . . . . 35 GLU HA . 27027 1 205 . 1 1 36 36 GLU C C 13 177.018 0.3 . 1 . . . . 35 GLU C . 27027 1 206 . 1 1 36 36 GLU CA C 13 56.661 0.3 . 1 . . . . 35 GLU CA . 27027 1 207 . 1 1 36 36 GLU CB C 13 29.924 0.3 . 1 . . . . 35 GLU CB . 27027 1 208 . 1 1 36 36 GLU N N 15 121.697 0.3 . 1 . . . . 35 GLU N . 27027 1 209 . 1 1 37 37 GLY H H 1 8.447 0.020 . 1 . . . . 36 GLY H . 27027 1 210 . 1 1 37 37 GLY HA2 H 1 3.954 0.020 . 1 . . . . 36 GLY HA2 . 27027 1 211 . 1 1 37 37 GLY HA3 H 1 3.954 0.020 . 1 . . . . 36 GLY HA3 . 27027 1 212 . 1 1 37 37 GLY C C 13 174.055 0.3 . 1 . . . . 36 GLY C . 27027 1 213 . 1 1 37 37 GLY CA C 13 45.288 0.3 . 1 . . . . 36 GLY CA . 27027 1 214 . 1 1 37 37 GLY N N 15 109.938 0.3 . 1 . . . . 36 GLY N . 27027 1 215 . 1 1 38 38 VAL H H 1 7.924 0.020 . 1 . . . . 37 VAL H . 27027 1 216 . 1 1 38 38 VAL HA H 1 4.054 0.020 . 1 . . . . 37 VAL HA . 27027 1 217 . 1 1 38 38 VAL C C 13 175.960 0.3 . 1 . . . . 37 VAL C . 27027 1 218 . 1 1 38 38 VAL CA C 13 62.348 0.3 . 1 . . . . 37 VAL CA . 27027 1 219 . 1 1 38 38 VAL CB C 13 32.518 0.3 . 1 . . . . 37 VAL CB . 27027 1 220 . 1 1 38 38 VAL N N 15 119.571 0.3 . 1 . . . . 37 VAL N . 27027 1 221 . 1 1 39 39 LEU H H 1 8.290 0.020 . 1 . . . . 38 LEU H . 27027 1 222 . 1 1 39 39 LEU HA H 1 4.329 0.020 . 1 . . . . 38 LEU HA . 27027 1 223 . 1 1 39 39 LEU C C 13 176.701 0.3 . 1 . . . . 38 LEU C . 27027 1 224 . 1 1 39 39 LEU CA C 13 54.866 0.3 . 1 . . . . 38 LEU CA . 27027 1 225 . 1 1 39 39 LEU CB C 13 42.295 0.3 . 1 . . . . 38 LEU CB . 27027 1 226 . 1 1 39 39 LEU N N 15 125.662 0.3 . 1 . . . . 38 LEU N . 27027 1 227 . 1 1 40 40 TYR H H 1 8.285 0.020 . 1 . . . . 39 TYR H . 27027 1 228 . 1 1 40 40 TYR HA H 1 4.586 0.020 . 1 . . . . 39 TYR HA . 27027 1 229 . 1 1 40 40 TYR C C 13 175.612 0.3 . 1 . . . . 39 TYR C . 27027 1 230 . 1 1 40 40 TYR CA C 13 57.958 0.3 . 1 . . . . 39 TYR CA . 27027 1 231 . 1 1 40 40 TYR CB C 13 38.604 0.3 . 1 . . . . 39 TYR CB . 27027 1 232 . 1 1 40 40 TYR N N 15 122.355 0.3 . 1 . . . . 39 TYR N . 27027 1 233 . 1 1 41 41 VAL H H 1 8.097 0.020 . 1 . . . . 40 VAL H . 27027 1 234 . 1 1 41 41 VAL HA H 1 4.060 0.020 . 1 . . . . 40 VAL HA . 27027 1 235 . 1 1 41 41 VAL C C 13 176.202 0.3 . 1 . . . . 40 VAL C . 27027 1 236 . 1 1 41 41 VAL CA C 13 62.149 0.3 . 1 . . . . 40 VAL CA . 27027 1 237 . 1 1 41 41 VAL CB C 13 32.618 0.3 . 1 . . . . 40 VAL CB . 27027 1 238 . 1 1 41 41 VAL N N 15 123.244 0.3 . 1 . . . . 40 VAL N . 27027 1 239 . 1 1 42 42 GLY H H 1 8.081 0.020 . 1 . . . . 41 GLY H . 27027 1 240 . 1 1 42 42 GLY HA2 H 1 3.935 0.020 . 1 . . . . 41 GLY HA2 . 27027 1 241 . 1 1 42 42 GLY HA3 H 1 3.935 0.020 . 1 . . . . 41 GLY HA3 . 27027 1 242 . 1 1 42 42 GLY C C 13 173.995 0.3 . 1 . . . . 41 GLY C . 27027 1 243 . 1 1 42 42 GLY CA C 13 45.188 0.3 . 1 . . . . 41 GLY CA . 27027 1 244 . 1 1 42 42 GLY N N 15 112.172 0.3 . 1 . . . . 41 GLY N . 27027 1 245 . 1 1 43 43 SER H H 1 8.271 0.020 . 1 . . . . 42 SER H . 27027 1 246 . 1 1 43 43 SER HA H 1 4.442 0.020 . 1 . . . . 42 SER HA . 27027 1 247 . 1 1 43 43 SER C C 13 174.826 0.3 . 1 . . . . 42 SER C . 27027 1 248 . 1 1 43 43 SER CA C 13 58.258 0.3 . 1 . . . . 42 SER CA . 27027 1 249 . 1 1 43 43 SER CB C 13 63.745 0.3 . 1 . . . . 42 SER CB . 27027 1 250 . 1 1 43 43 SER N N 15 115.651 0.3 . 1 . . . . 42 SER N . 27027 1 251 . 1 1 44 44 LYS H H 1 8.494 0.020 . 1 . . . . 43 LYS H . 27027 1 252 . 1 1 44 44 LYS HA H 1 4.423 0.020 . 1 . . . . 43 LYS HA . 27027 1 253 . 1 1 44 44 LYS C C 13 176.882 0.3 . 1 . . . . 43 LYS C . 27027 1 254 . 1 1 44 44 LYS CA C 13 56.462 0.3 . 1 . . . . 43 LYS CA . 27027 1 255 . 1 1 44 44 LYS CB C 13 32.917 0.3 . 1 . . . . 43 LYS CB . 27027 1 256 . 1 1 44 44 LYS N N 15 123.418 0.3 . 1 . . . . 43 LYS N . 27027 1 257 . 1 1 45 45 THR H H 1 8.207 0.020 . 1 . . . . 44 THR H . 27027 1 258 . 1 1 45 45 THR HA H 1 4.304 0.020 . 1 . . . . 44 THR HA . 27027 1 259 . 1 1 45 45 THR C C 13 174.599 0.3 . 1 . . . . 44 THR C . 27027 1 260 . 1 1 45 45 THR CA C 13 61.949 0.3 . 1 . . . . 44 THR CA . 27027 1 261 . 1 1 45 45 THR CB C 13 69.731 0.3 . 1 . . . . 44 THR CB . 27027 1 262 . 1 1 45 45 THR N N 15 115.316 0.3 . 1 . . . . 44 THR N . 27027 1 263 . 1 1 46 46 ARG H H 1 8.449 0.020 . 1 . . . . 45 ARG H . 27027 1 264 . 1 1 46 46 ARG HA H 1 4.323 0.020 . 1 . . . . 45 ARG HA . 27027 1 265 . 1 1 46 46 ARG C C 13 176.217 0.3 . 1 . . . . 45 ARG C . 27027 1 266 . 1 1 46 46 ARG CA C 13 56.163 0.3 . 1 . . . . 45 ARG CA . 27027 1 267 . 1 1 46 46 ARG CB C 13 30.622 0.3 . 1 . . . . 45 ARG CB . 27027 1 268 . 1 1 46 46 ARG N N 15 123.405 0.3 . 1 . . . . 45 ARG N . 27027 1 269 . 1 1 47 47 GLU H H 1 8.498 0.020 . 1 . . . . 46 GLU H . 27027 1 270 . 1 1 47 47 GLU HA H 1 4.261 0.020 . 1 . . . . 46 GLU HA . 27027 1 271 . 1 1 47 47 GLU C C 13 176.942 0.3 . 1 . . . . 46 GLU C . 27027 1 272 . 1 1 47 47 GLU CA C 13 56.661 0.3 . 1 . . . . 46 GLU CA . 27027 1 273 . 1 1 47 47 GLU CB C 13 30.124 0.3 . 1 . . . . 46 GLU CB . 27027 1 274 . 1 1 47 47 GLU N N 15 122.159 0.3 . 1 . . . . 46 GLU N . 27027 1 275 . 1 1 48 48 GLY H H 1 8.487 0.020 . 1 . . . . 47 GLY H . 27027 1 276 . 1 1 48 48 GLY HA2 H 1 3.954 0.020 . 1 . . . . 47 GLY HA2 . 27027 1 277 . 1 1 48 48 GLY HA3 H 1 3.954 0.020 . 1 . . . . 47 GLY HA3 . 27027 1 278 . 1 1 48 48 GLY C C 13 173.934 0.3 . 1 . . . . 47 GLY C . 27027 1 279 . 1 1 48 48 GLY CA C 13 45.188 0.3 . 1 . . . . 47 GLY CA . 27027 1 280 . 1 1 48 48 GLY N N 15 110.080 0.3 . 1 . . . . 47 GLY N . 27027 1 281 . 1 1 49 49 VAL H H 1 7.954 0.020 . 1 . . . . 48 VAL H . 27027 1 282 . 1 1 49 49 VAL HA H 1 4.123 0.020 . 1 . . . . 48 VAL HA . 27027 1 283 . 1 1 49 49 VAL C C 13 176.308 0.3 . 1 . . . . 48 VAL C . 27027 1 284 . 1 1 49 49 VAL CA C 13 62.248 0.3 . 1 . . . . 48 VAL CA . 27027 1 285 . 1 1 49 49 VAL CB C 13 32.618 0.3 . 1 . . . . 48 VAL CB . 27027 1 286 . 1 1 49 49 VAL N N 15 119.921 0.3 . 1 . . . . 48 VAL N . 27027 1 287 . 1 1 50 50 VAL H H 1 8.383 0.020 . 1 . . . . 49 VAL H . 27027 1 288 . 1 1 50 50 VAL HA H 1 4.092 0.020 . 1 . . . . 49 VAL HA . 27027 1 289 . 1 1 50 50 VAL C C 13 176.066 0.3 . 1 . . . . 49 VAL C . 27027 1 290 . 1 1 50 50 VAL CA C 13 62.248 0.3 . 1 . . . . 49 VAL CA . 27027 1 291 . 1 1 50 50 VAL CB C 13 32.518 0.3 . 1 . . . . 49 VAL CB . 27027 1 292 . 1 1 50 50 VAL N N 15 125.454 0.3 . 1 . . . . 49 VAL N . 27027 1 293 . 1 1 51 51 GLN H H 1 8.601 0.020 . 1 . . . . 50 GLN H . 27027 1 294 . 1 1 51 51 GLN HA H 1 4.336 0.020 . 1 . . . . 50 GLN HA . 27027 1 295 . 1 1 51 51 GLN C C 13 176.308 0.3 . 1 . . . . 50 GLN C . 27027 1 296 . 1 1 51 51 GLN CA C 13 55.963 0.3 . 1 . . . . 50 GLN CA . 27027 1 297 . 1 1 51 51 GLN CB C 13 29.425 0.3 . 1 . . . . 50 GLN CB . 27027 1 298 . 1 1 51 51 GLN N N 15 125.300 0.3 . 1 . . . . 50 GLN N . 27027 1 299 . 1 1 52 52 GLY H H 1 8.507 0.020 . 1 . . . . 51 GLY H . 27027 1 300 . 1 1 52 52 GLY HA2 H 1 3.960 0.020 . 1 . . . . 51 GLY HA2 . 27027 1 301 . 1 1 52 52 GLY HA3 H 1 3.960 0.020 . 1 . . . . 51 GLY HA3 . 27027 1 302 . 1 1 52 52 GLY C C 13 173.904 0.3 . 1 . . . . 51 GLY C . 27027 1 303 . 1 1 52 52 GLY CA C 13 45.089 0.3 . 1 . . . . 51 GLY CA . 27027 1 304 . 1 1 52 52 GLY N N 15 110.782 0.3 . 1 . . . . 51 GLY N . 27027 1 305 . 1 1 53 53 VAL H H 1 8.069 0.020 . 1 . . . . 52 VAL H . 27027 1 306 . 1 1 53 53 VAL HA H 1 4.135 0.020 . 1 . . . . 52 VAL HA . 27027 1 307 . 1 1 53 53 VAL C C 13 176.051 0.3 . 1 . . . . 52 VAL C . 27027 1 308 . 1 1 53 53 VAL CA C 13 62.049 0.3 . 1 . . . . 52 VAL CA . 27027 1 309 . 1 1 53 53 VAL CB C 13 32.718 0.3 . 1 . . . . 52 VAL CB . 27027 1 310 . 1 1 53 53 VAL N N 15 119.569 0.3 . 1 . . . . 52 VAL N . 27027 1 311 . 1 1 54 54 ALA H H 1 8.501 0.020 . 1 . . . . 53 ALA H . 27027 1 312 . 1 1 54 54 ALA HA H 1 4.348 0.020 . 1 . . . . 53 ALA HA . 27027 1 313 . 1 1 54 54 ALA C C 13 177.774 0.3 . 1 . . . . 53 ALA C . 27027 1 314 . 1 1 54 54 ALA CA C 13 52.471 0.3 . 1 . . . . 53 ALA CA . 27027 1 315 . 1 1 54 54 ALA CB C 13 19.149 0.3 . 1 . . . . 53 ALA CB . 27027 1 316 . 1 1 54 54 ALA N N 15 128.063 0.3 . 1 . . . . 53 ALA N . 27027 1 317 . 1 1 55 55 SER H H 1 8.364 0.020 . 1 . . . . 54 SER H . 27027 1 318 . 1 1 55 55 SER HA H 1 4.448 0.020 . 1 . . . . 54 SER HA . 27027 1 319 . 1 1 55 55 SER C C 13 174.735 0.3 . 1 . . . . 54 SER C . 27027 1 320 . 1 1 55 55 SER CA C 13 58.158 0.3 . 1 . . . . 54 SER CA . 27027 1 321 . 1 1 55 55 SER CB C 13 63.845 0.3 . 1 . . . . 54 SER CB . 27027 1 322 . 1 1 55 55 SER N N 15 115.905 0.3 . 1 . . . . 54 SER N . 27027 1 323 . 1 1 56 56 VAL H H 1 8.246 0.020 . 1 . . . . 55 VAL H . 27027 1 324 . 1 1 56 56 VAL HA H 1 4.104 0.020 . 1 . . . . 55 VAL HA . 27027 1 325 . 1 1 56 56 VAL C C 13 176.217 0.3 . 1 . . . . 55 VAL C . 27027 1 326 . 1 1 56 56 VAL CA C 13 62.548 0.3 . 1 . . . . 55 VAL CA . 27027 1 327 . 1 1 56 56 VAL CB C 13 32.518 0.3 . 1 . . . . 55 VAL CB . 27027 1 328 . 1 1 56 56 VAL N N 15 122.055 0.3 . 1 . . . . 55 VAL N . 27027 1 329 . 1 1 57 57 ALA H H 1 8.377 0.020 . 1 . . . . 56 ALA H . 27027 1 330 . 1 1 57 57 ALA HA H 1 4.286 0.020 . 1 . . . . 56 ALA HA . 27027 1 331 . 1 1 57 57 ALA C C 13 178.061 0.3 . 1 . . . . 56 ALA C . 27027 1 332 . 1 1 57 57 ALA CA C 13 52.671 0.3 . 1 . . . . 56 ALA CA . 27027 1 333 . 1 1 57 57 ALA CB C 13 19.049 0.3 . 1 . . . . 56 ALA CB . 27027 1 334 . 1 1 57 57 ALA N N 15 127.299 0.3 . 1 . . . . 56 ALA N . 27027 1 335 . 1 1 58 58 GLU H H 1 8.339 0.020 . 1 . . . . 57 GLU H . 27027 1 336 . 1 1 58 58 GLU C C 13 176.942 0.3 . 1 . . . . 57 GLU C . 27027 1 337 . 1 1 58 58 GLU CA C 13 56.362 0.3 . 1 . . . . 57 GLU CA . 27027 1 338 . 1 1 58 58 GLU CB C 13 30.323 0.3 . 1 . . . . 57 GLU CB . 27027 1 339 . 1 1 58 58 GLU N N 15 120.677 0.3 . 1 . . . . 57 GLU N . 27027 1 340 . 1 1 59 59 LYS H H 1 8.416 0.020 . 1 . . . . 58 LYS H . 27027 1 341 . 1 1 59 59 LYS HA H 1 4.329 0.020 . 1 . . . . 58 LYS HA . 27027 1 342 . 1 1 59 59 LYS C C 13 177.215 0.3 . 1 . . . . 58 LYS C . 27027 1 343 . 1 1 59 59 LYS CA C 13 56.362 0.3 . 1 . . . . 58 LYS CA . 27027 1 344 . 1 1 59 59 LYS CB C 13 32.717 0.3 . 1 . . . . 58 LYS CB . 27027 1 345 . 1 1 59 59 LYS N N 15 122.518 0.3 . 1 . . . . 58 LYS N . 27027 1 346 . 1 1 60 60 THR H H 1 8.211 0.020 . 1 . . . . 59 THR H . 27027 1 347 . 1 1 60 60 THR HA H 1 4.273 0.020 . 1 . . . . 59 THR HA . 27027 1 348 . 1 1 60 60 THR C C 13 174.917 0.3 . 1 . . . . 59 THR C . 27027 1 349 . 1 1 60 60 THR CA C 13 62.248 0.3 . 1 . . . . 59 THR CA . 27027 1 350 . 1 1 60 60 THR CB C 13 69.731 0.3 . 1 . . . . 59 THR CB . 27027 1 351 . 1 1 60 60 THR N N 15 115.560 0.3 . 1 . . . . 59 THR N . 27027 1 352 . 1 1 61 61 LYS H H 1 8.366 0.020 . 1 . . . . 60 LYS H . 27027 1 353 . 1 1 61 61 LYS HA H 1 4.267 0.020 . 1 . . . . 60 LYS HA . 27027 1 354 . 1 1 61 61 LYS C C 13 177.094 0.3 . 1 . . . . 60 LYS C . 27027 1 355 . 1 1 61 61 LYS CA C 13 56.961 0.3 . 1 . . . . 60 LYS CA . 27027 1 356 . 1 1 61 61 LYS CB C 13 32.618 0.3 . 1 . . . . 60 LYS CB . 27027 1 357 . 1 1 61 61 LYS N N 15 123.506 0.3 . 1 . . . . 60 LYS N . 27027 1 358 . 1 1 62 62 GLU H H 1 8.442 0.020 . 1 . . . . 61 GLU H . 27027 1 359 . 1 1 62 62 GLU HA H 1 4.254 0.020 . 1 . . . . 61 GLU HA . 27027 1 360 . 1 1 62 62 GLU C C 13 177.003 0.3 . 1 . . . . 61 GLU C . 27027 1 361 . 1 1 62 62 GLU CA C 13 57.160 0.3 . 1 . . . . 61 GLU CA . 27027 1 362 . 1 1 62 62 GLU CB C 13 29.824 0.3 . 1 . . . . 61 GLU CB . 27027 1 363 . 1 1 62 62 GLU N N 15 121.883 0.3 . 1 . . . . 61 GLU N . 27027 1 364 . 1 1 63 63 GLN H H 1 8.387 0.020 . 1 . . . . 62 GLN H . 27027 1 365 . 1 1 63 63 GLN HA H 1 4.254 0.020 . 1 . . . . 62 GLN HA . 27027 1 366 . 1 1 63 63 GLN C C 13 176.202 0.3 . 1 . . . . 62 GLN C . 27027 1 367 . 1 1 63 63 GLN CA C 13 56.262 0.3 . 1 . . . . 62 GLN CA . 27027 1 368 . 1 1 63 63 GLN CB C 13 29.226 0.3 . 1 . . . . 62 GLN CB . 27027 1 369 . 1 1 63 63 GLN N N 15 121.270 0.3 . 1 . . . . 62 GLN N . 27027 1 370 . 1 1 64 64 ALA H H 1 8.353 0.020 . 1 . . . . 63 ALA H . 27027 1 371 . 1 1 64 64 ALA HA H 1 4.298 0.020 . 1 . . . . 63 ALA HA . 27027 1 372 . 1 1 64 64 ALA C C 13 178.046 0.3 . 1 . . . . 63 ALA C . 27027 1 373 . 1 1 64 64 ALA CA C 13 52.771 0.3 . 1 . . . . 63 ALA CA . 27027 1 374 . 1 1 64 64 ALA CB C 13 19.049 0.3 . 1 . . . . 63 ALA CB . 27027 1 375 . 1 1 64 64 ALA N N 15 124.773 0.3 . 1 . . . . 63 ALA N . 27027 1 376 . 1 1 65 65 SER H H 1 8.258 0.020 . 1 . . . . 64 SER H . 27027 1 377 . 1 1 65 65 SER HA H 1 4.367 0.020 . 1 . . . . 64 SER HA . 27027 1 378 . 1 1 65 65 SER C C 13 174.569 0.3 . 1 . . . . 64 SER C . 27027 1 379 . 1 1 65 65 SER CA C 13 58.557 0.3 . 1 . . . . 64 SER CA . 27027 1 380 . 1 1 65 65 SER CB C 13 63.645 0.3 . 1 . . . . 64 SER CB . 27027 1 381 . 1 1 65 65 SER N N 15 114.671 0.3 . 1 . . . . 64 SER N . 27027 1 382 . 1 1 66 66 HIS H H 1 8.354 0.020 . 1 . . . . 65 HIS H . 27027 1 383 . 1 1 66 66 HIS C C 13 174.977 0.3 . 1 . . . . 65 HIS C . 27027 1 384 . 1 1 66 66 HIS CA C 13 55.963 0.3 . 1 . . . . 65 HIS CA . 27027 1 385 . 1 1 66 66 HIS CB C 13 29.625 0.3 . 1 . . . . 65 HIS CB . 27027 1 386 . 1 1 66 66 HIS N N 15 120.701 0.3 . 1 . . . . 65 HIS N . 27027 1 387 . 1 1 67 67 LEU H H 1 8.226 0.020 . 1 . . . . 66 LEU H . 27027 1 388 . 1 1 67 67 LEU HA H 1 4.304 0.020 . 1 . . . . 66 LEU HA . 27027 1 389 . 1 1 67 67 LEU C C 13 177.910 0.3 . 1 . . . . 66 LEU C . 27027 1 390 . 1 1 67 67 LEU CA C 13 55.564 0.3 . 1 . . . . 66 LEU CA . 27027 1 391 . 1 1 67 67 LEU CB C 13 41.996 0.3 . 1 . . . . 66 LEU CB . 27027 1 392 . 1 1 67 67 LEU N N 15 123.165 0.3 . 1 . . . . 66 LEU N . 27027 1 393 . 1 1 68 68 GLY H H 1 8.443 0.020 . 1 . . . . 67 GLY H . 27027 1 394 . 1 1 68 68 GLY HA2 H 1 3.960 0.020 . 1 . . . . 67 GLY HA2 . 27027 1 395 . 1 1 68 68 GLY HA3 H 1 3.960 0.020 . 1 . . . . 67 GLY HA3 . 27027 1 396 . 1 1 68 68 GLY C C 13 174.660 0.3 . 1 . . . . 67 GLY C . 27027 1 397 . 1 1 68 68 GLY CA C 13 45.288 0.3 . 1 . . . . 67 GLY CA . 27027 1 398 . 1 1 68 68 GLY N N 15 109.733 0.3 . 1 . . . . 67 GLY N . 27027 1 399 . 1 1 69 69 GLY H H 1 8.282 0.020 . 1 . . . . 68 GLY H . 27027 1 400 . 1 1 69 69 GLY HA2 H 1 3.960 0.020 . 1 . . . . 68 GLY HA2 . 27027 1 401 . 1 1 69 69 GLY HA3 H 1 3.960 0.020 . 1 . . . . 68 GLY HA3 . 27027 1 402 . 1 1 69 69 GLY C C 13 173.828 0.3 . 1 . . . . 68 GLY C . 27027 1 403 . 1 1 69 69 GLY CA C 13 45.089 0.3 . 1 . . . . 68 GLY CA . 27027 1 404 . 1 1 69 69 GLY N N 15 108.755 0.3 . 1 . . . . 68 GLY N . 27027 1 405 . 1 1 70 70 ALA H H 1 8.207 0.020 . 1 . . . . 69 ALA H . 27027 1 406 . 1 1 70 70 ALA HA H 1 4.304 0.020 . 1 . . . . 69 ALA HA . 27027 1 407 . 1 1 70 70 ALA C C 13 177.623 0.3 . 1 . . . . 69 ALA C . 27027 1 408 . 1 1 70 70 ALA CA C 13 52.372 0.3 . 1 . . . . 69 ALA CA . 27027 1 409 . 1 1 70 70 ALA CB C 13 19.149 0.3 . 1 . . . . 69 ALA CB . 27027 1 410 . 1 1 70 70 ALA N N 15 123.883 0.3 . 1 . . . . 69 ALA N . 27027 1 411 . 1 1 71 71 VAL H H 1 8.104 0.020 . 1 . . . . 70 VAL H . 27027 1 412 . 1 1 71 71 VAL HA H 1 4.042 0.020 . 1 . . . . 70 VAL HA . 27027 1 413 . 1 1 71 71 VAL C C 13 175.930 0.3 . 1 . . . . 70 VAL C . 27027 1 414 . 1 1 71 71 VAL CA C 13 62.049 0.3 . 1 . . . . 70 VAL CA . 27027 1 415 . 1 1 71 71 VAL CB C 13 32.817 0.3 . 1 . . . . 70 VAL CB . 27027 1 416 . 1 1 71 71 VAL N N 15 119.354 0.3 . 1 . . . . 70 VAL N . 27027 1 417 . 1 1 72 72 PHE H H 1 8.432 0.020 . 1 . . . . 71 PHE H . 27027 1 418 . 1 1 72 72 PHE HA H 1 4.692 0.020 . 1 . . . . 71 PHE HA . 27027 1 419 . 1 1 72 72 PHE C C 13 175.717 0.3 . 1 . . . . 71 PHE C . 27027 1 420 . 1 1 72 72 PHE CA C 13 57.759 0.3 . 1 . . . . 71 PHE CA . 27027 1 421 . 1 1 72 72 PHE CB C 13 39.701 0.3 . 1 . . . . 71 PHE CB . 27027 1 422 . 1 1 72 72 PHE N N 15 124.484 0.3 . 1 . . . . 71 PHE N . 27027 1 423 . 1 1 73 73 SER H H 1 8.353 0.020 . 1 . . . . 72 SER H . 27027 1 424 . 1 1 73 73 SER HA H 1 4.386 0.020 . 1 . . . . 72 SER HA . 27027 1 425 . 1 1 73 73 SER C C 13 174.736 0.3 . 1 . . . . 72 SER C . 27027 1 426 . 1 1 73 73 SER CA C 13 58.058 0.3 . 1 . . . . 72 SER CA . 27027 1 427 . 1 1 73 73 SER CB C 13 63.745 0.3 . 1 . . . . 72 SER CB . 27027 1 428 . 1 1 73 73 SER N N 15 118.616 0.3 . 1 . . . . 72 SER N . 27027 1 429 . 1 1 74 74 GLY H H 1 7.888 0.020 . 1 . . . . 73 GLY H . 27027 1 430 . 1 1 74 74 GLY HA2 H 1 3.917 0.020 . 1 . . . . 73 GLY HA2 . 27027 1 431 . 1 1 74 74 GLY HA3 H 1 3.917 0.020 . 1 . . . . 73 GLY HA3 . 27027 1 432 . 1 1 74 74 GLY C C 13 173.828 0.3 . 1 . . . . 73 GLY C . 27027 1 433 . 1 1 74 74 GLY CA C 13 45.188 0.3 . 1 . . . . 73 GLY CA . 27027 1 434 . 1 1 74 74 GLY N N 15 110.694 0.3 . 1 . . . . 73 GLY N . 27027 1 435 . 1 1 75 75 ALA H H 1 8.240 0.020 . 1 . . . . 74 ALA H . 27027 1 436 . 1 1 75 75 ALA HA H 1 4.323 0.020 . 1 . . . . 74 ALA HA . 27027 1 437 . 1 1 75 75 ALA C C 13 178.318 0.3 . 1 . . . . 74 ALA C . 27027 1 438 . 1 1 75 75 ALA CA C 13 52.652 0.3 . 1 . . . . 74 ALA CA . 27027 1 439 . 1 1 75 75 ALA CB C 13 19.149 0.3 . 1 . . . . 74 ALA CB . 27027 1 440 . 1 1 75 75 ALA N N 15 123.752 0.3 . 1 . . . . 74 ALA N . 27027 1 441 . 1 1 76 76 GLY H H 1 8.459 0.020 . 1 . . . . 75 GLY H . 27027 1 442 . 1 1 76 76 GLY HA2 H 1 3.923 0.020 . 1 . . . . 75 GLY HA2 . 27027 1 443 . 1 1 76 76 GLY HA3 H 1 3.923 0.020 . 1 . . . . 75 GLY HA3 . 27027 1 444 . 1 1 76 76 GLY C C 13 173.904 0.3 . 1 . . . . 75 GLY C . 27027 1 445 . 1 1 76 76 GLY CA C 13 45.188 0.3 . 1 . . . . 75 GLY CA . 27027 1 446 . 1 1 76 76 GLY N N 15 107.846 0.3 . 1 . . . . 75 GLY N . 27027 1 447 . 1 1 77 77 ASN H H 1 8.275 0.020 . 1 . . . . 76 ASN H . 27027 1 448 . 1 1 77 77 ASN HA H 1 4.717 0.020 . 1 . . . . 76 ASN HA . 27027 1 449 . 1 1 77 77 ASN C C 13 175.295 0.3 . 1 . . . . 76 ASN C . 27027 1 450 . 1 1 77 77 ASN CA C 13 53.070 0.3 . 1 . . . . 76 ASN CA . 27027 1 451 . 1 1 77 77 ASN CB C 13 38.777 0.3 . 1 . . . . 76 ASN CB . 27027 1 452 . 1 1 77 77 ASN N N 15 118.705 0.3 . 1 . . . . 76 ASN N . 27027 1 453 . 1 1 78 78 ILE H H 1 8.140 0.020 . 1 . . . . 77 ILE H . 27027 1 454 . 1 1 78 78 ILE HA H 1 4.135 0.020 . 1 . . . . 77 ILE HA . 27027 1 455 . 1 1 78 78 ILE C C 13 176.171 0.3 . 1 . . . . 77 ILE C . 27027 1 456 . 1 1 78 78 ILE CA C 13 61.450 0.3 . 1 . . . . 77 ILE CA . 27027 1 457 . 1 1 78 78 ILE CB C 13 38.469 0.3 . 1 . . . . 77 ILE CB . 27027 1 458 . 1 1 78 78 ILE N N 15 121.558 0.3 . 1 . . . . 77 ILE N . 27027 1 459 . 1 1 79 79 ALA H H 1 8.395 0.020 . 1 . . . . 78 ALA H . 27027 1 460 . 1 1 79 79 ALA HA H 1 4.273 0.020 . 1 . . . . 78 ALA HA . 27027 1 461 . 1 1 79 79 ALA C C 13 177.562 0.3 . 1 . . . . 78 ALA C . 27027 1 462 . 1 1 79 79 ALA CA C 13 52.571 0.3 . 1 . . . . 78 ALA CA . 27027 1 463 . 1 1 79 79 ALA CB C 13 18.950 0.3 . 1 . . . . 78 ALA CB . 27027 1 464 . 1 1 79 79 ALA N N 15 128.066 0.3 . 1 . . . . 78 ALA N . 27027 1 465 . 1 1 80 80 ALA H H 1 8.209 0.020 . 1 . . . . 79 ALA H . 27027 1 466 . 1 1 80 80 ALA HA H 1 4.273 0.020 . 1 . . . . 79 ALA HA . 27027 1 467 . 1 1 80 80 ALA C C 13 177.759 0.3 . 1 . . . . 79 ALA C . 27027 1 468 . 1 1 80 80 ALA CA C 13 52.471 0.3 . 1 . . . . 79 ALA CA . 27027 1 469 . 1 1 80 80 ALA CB C 13 19.049 0.3 . 1 . . . . 79 ALA CB . 27027 1 470 . 1 1 80 80 ALA N N 15 123.338 0.3 . 1 . . . . 79 ALA N . 27027 1 471 . 1 1 81 81 ALA H H 1 8.321 0.020 . 1 . . . . 80 ALA H . 27027 1 472 . 1 1 81 81 ALA HA H 1 4.361 0.020 . 1 . . . . 80 ALA HA . 27027 1 473 . 1 1 81 81 ALA C C 13 178.152 0.3 . 1 . . . . 80 ALA C . 27027 1 474 . 1 1 81 81 ALA CA C 13 52.571 0.3 . 1 . . . . 80 ALA CA . 27027 1 475 . 1 1 81 81 ALA CB C 13 19.049 0.3 . 1 . . . . 80 ALA CB . 27027 1 476 . 1 1 81 81 ALA N N 15 123.337 0.3 . 1 . . . . 80 ALA N . 27027 1 477 . 1 1 82 82 THR H H 1 8.101 0.020 . 1 . . . . 81 THR H . 27027 1 478 . 1 1 82 82 THR HA H 1 4.323 0.020 . 1 . . . . 81 THR HA . 27027 1 479 . 1 1 82 82 THR C C 13 175.234 0.3 . 1 . . . . 81 THR C . 27027 1 480 . 1 1 82 82 THR CA C 13 61.949 0.3 . 1 . . . . 81 THR CA . 27027 1 481 . 1 1 82 82 THR CB C 13 69.831 0.3 . 1 . . . . 81 THR CB . 27027 1 482 . 1 1 82 82 THR N N 15 112.492 0.3 . 1 . . . . 81 THR N . 27027 1 483 . 1 1 83 83 GLY H H 1 8.370 0.020 . 1 . . . . 82 GLY H . 27027 1 484 . 1 1 83 83 GLY HA2 H 1 3.954 0.020 . 1 . . . . 82 GLY HA2 . 27027 1 485 . 1 1 83 83 GLY HA3 H 1 3.954 0.020 . 1 . . . . 82 GLY HA3 . 27027 1 486 . 1 1 83 83 GLY C C 13 173.874 0.3 . 1 . . . . 82 GLY C . 27027 1 487 . 1 1 83 83 GLY CA C 13 45.188 0.3 . 1 . . . . 82 GLY CA . 27027 1 488 . 1 1 83 83 GLY N N 15 110.802 0.3 . 1 . . . . 82 GLY N . 27027 1 489 . 1 1 84 84 LEU H H 1 8.087 0.020 . 1 . . . . 83 LEU H . 27027 1 490 . 1 1 84 84 LEU HA H 1 4.361 0.020 . 1 . . . . 83 LEU HA . 27027 1 491 . 1 1 84 84 LEU C C 13 177.260 0.3 . 1 . . . . 83 LEU C . 27027 1 492 . 1 1 84 84 LEU CA C 13 55.065 0.3 . 1 . . . . 83 LEU CA . 27027 1 493 . 1 1 84 84 LEU CB C 13 42.295 0.3 . 1 . . . . 83 LEU CB . 27027 1 494 . 1 1 84 84 LEU N N 15 121.720 0.3 . 1 . . . . 83 LEU N . 27027 1 495 . 1 1 85 85 VAL H H 1 8.167 0.020 . 1 . . . . 84 VAL H . 27027 1 496 . 1 1 85 85 VAL HA H 1 4.073 0.020 . 1 . . . . 84 VAL HA . 27027 1 497 . 1 1 85 85 VAL C C 13 175.854 0.3 . 1 . . . . 84 VAL C . 27027 1 498 . 1 1 85 85 VAL CA C 13 62.049 0.3 . 1 . . . . 84 VAL CA . 27027 1 499 . 1 1 85 85 VAL CB C 13 32.618 0.3 . 1 . . . . 84 VAL CB . 27027 1 500 . 1 1 85 85 VAL N N 15 122.159 0.3 . 1 . . . . 84 VAL N . 27027 1 501 . 1 1 86 86 LYS H H 1 8.496 0.020 . 1 . . . . 85 LYS H . 27027 1 502 . 1 1 86 86 LYS HA H 1 4.317 0.020 . 1 . . . . 85 LYS HA . 27027 1 503 . 1 1 86 86 LYS C C 13 176.126 0.3 . 1 . . . . 85 LYS C . 27027 1 504 . 1 1 86 86 LYS CA C 13 56.163 0.3 . 1 . . . . 85 LYS CA . 27027 1 505 . 1 1 86 86 LYS CB C 13 32.817 0.3 . 1 . . . . 85 LYS CB . 27027 1 506 . 1 1 86 86 LYS N N 15 126.720 0.3 . 1 . . . . 85 LYS N . 27027 1 507 . 1 1 87 87 ARG H H 1 8.512 0.020 . 1 . . . . 86 ARG H . 27027 1 508 . 1 1 87 87 ARG C C 13 176.096 0.3 . 1 . . . . 86 ARG C . 27027 1 509 . 1 1 87 87 ARG CA C 13 56.163 0.3 . 1 . . . . 86 ARG CA . 27027 1 510 . 1 1 87 87 ARG CB C 13 30.822 0.3 . 1 . . . . 86 ARG CB . 27027 1 511 . 1 1 87 87 ARG N N 15 124.257 0.3 . 1 . . . . 86 ARG N . 27027 1 512 . 1 1 88 88 GLU H H 1 8.594 0.020 . 1 . . . . 87 GLU H . 27027 1 513 . 1 1 88 88 GLU HA H 1 4.236 0.020 . 1 . . . . 87 GLU HA . 27027 1 514 . 1 1 88 88 GLU C C 13 175.869 0.3 . 1 . . . . 87 GLU C . 27027 1 515 . 1 1 88 88 GLU CA C 13 56.262 0.3 . 1 . . . . 87 GLU CA . 27027 1 516 . 1 1 88 88 GLU CB C 13 30.024 0.3 . 1 . . . . 87 GLU CB . 27027 1 517 . 1 1 88 88 GLU N N 15 122.993 0.3 . 1 . . . . 87 GLU N . 27027 1 518 . 1 1 89 89 GLU H H 1 8.386 0.020 . 1 . . . . 88 GLU H . 27027 1 519 . 1 1 89 89 GLU C C 13 175.673 0.3 . 1 . . . . 88 GLU C . 27027 1 520 . 1 1 89 89 GLU CA C 13 56.414 0.3 . 1 . . . . 88 GLU CA . 27027 1 521 . 1 1 89 89 GLU CB C 13 30.323 0.3 . 1 . . . . 88 GLU CB . 27027 1 522 . 1 1 89 89 GLU N N 15 122.244 0.3 . 1 . . . . 88 GLU N . 27027 1 523 . 1 1 90 90 PHE H H 1 8.346 0.020 . 1 . . . . 89 PHE H . 27027 1 524 . 1 1 90 90 PHE HA H 1 4.911 0.020 . 1 . . . . 89 PHE HA . 27027 1 525 . 1 1 90 90 PHE C C 13 173.828 0.3 . 1 . . . . 89 PHE C . 27027 1 526 . 1 1 90 90 PHE CA C 13 55.764 0.3 . 1 . . . . 89 PHE CA . 27027 1 527 . 1 1 90 90 PHE CB C 13 39.103 0.3 . 1 . . . . 89 PHE CB . 27027 1 528 . 1 1 90 90 PHE N N 15 121.450 0.3 . 1 . . . . 89 PHE N . 27027 1 529 . 1 1 91 91 PRO C C 13 177.184 0.3 . 1 . . . . 90 PRO C . 27027 1 530 . 1 1 91 91 PRO CA C 13 63.246 0.3 . 1 . . . . 90 PRO CA . 27027 1 531 . 1 1 91 91 PRO CB C 13 32.019 0.3 . 1 . . . . 90 PRO CB . 27027 1 532 . 1 1 92 92 THR H H 1 8.317 0.020 . 1 . . . . 91 THR H . 27027 1 533 . 1 1 92 92 THR HA H 1 4.336 0.020 . 1 . . . . 91 THR HA . 27027 1 534 . 1 1 92 92 THR C C 13 174.312 0.3 . 1 . . . . 91 THR C . 27027 1 535 . 1 1 92 92 THR CA C 13 61.750 0.3 . 1 . . . . 91 THR CA . 27027 1 536 . 1 1 92 92 THR CB C 13 69.731 0.3 . 1 . . . . 91 THR CB . 27027 1 537 . 1 1 92 92 THR N N 15 114.140 0.3 . 1 . . . . 91 THR N . 27027 1 538 . 1 1 93 93 ASP H H 1 8.378 0.020 . 1 . . . . 92 ASP H . 27027 1 539 . 1 1 93 93 ASP C C 13 175.794 0.3 . 1 . . . . 92 ASP C . 27027 1 540 . 1 1 93 93 ASP CA C 13 54.267 0.3 . 1 . . . . 92 ASP CA . 27027 1 541 . 1 1 93 93 ASP CB C 13 40.998 0.3 . 1 . . . . 92 ASP CB . 27027 1 542 . 1 1 93 93 ASP N N 15 122.385 0.3 . 1 . . . . 92 ASP N . 27027 1 543 . 1 1 94 94 LEU H H 1 8.130 0.020 . 1 . . . . 93 LEU H . 27027 1 544 . 1 1 94 94 LEU HA H 1 4.336 0.020 . 1 . . . . 93 LEU HA . 27027 1 545 . 1 1 94 94 LEU C C 13 177.048 0.3 . 1 . . . . 93 LEU C . 27027 1 546 . 1 1 94 94 LEU CA C 13 54.965 0.3 . 1 . . . . 93 LEU CA . 27027 1 547 . 1 1 94 94 LEU CB C 13 42.395 0.3 . 1 . . . . 93 LEU CB . 27027 1 548 . 1 1 94 94 LEU N N 15 122.512 0.3 . 1 . . . . 93 LEU N . 27027 1 549 . 1 1 95 95 LYS H H 1 8.510 0.020 . 1 . . . . 94 LYS H . 27027 1 550 . 1 1 95 95 LYS HA H 1 4.586 0.020 . 1 . . . . 94 LYS HA . 27027 1 551 . 1 1 95 95 LYS C C 13 174.599 0.3 . 1 . . . . 94 LYS C . 27027 1 552 . 1 1 95 95 LYS CA C 13 54.267 0.3 . 1 . . . . 94 LYS CA . 27027 1 553 . 1 1 95 95 LYS CB C 13 32.318 0.3 . 1 . . . . 94 LYS CB . 27027 1 554 . 1 1 95 95 LYS N N 15 124.465 0.3 . 1 . . . . 94 LYS N . 27027 1 555 . 1 1 96 96 PRO C C 13 177.215 0.3 . 1 . . . . 95 PRO C . 27027 1 556 . 1 1 96 96 PRO CA C 13 63.346 0.3 . 1 . . . . 95 PRO CA . 27027 1 557 . 1 1 96 96 PRO CB C 13 32.019 0.3 . 1 . . . . 95 PRO CB . 27027 1 558 . 1 1 97 97 GLU H H 1 8.735 0.020 . 1 . . . . 96 GLU H . 27027 1 559 . 1 1 97 97 GLU HA H 1 4.217 0.020 . 1 . . . . 96 GLU HA . 27027 1 560 . 1 1 97 97 GLU C C 13 176.685 0.3 . 1 . . . . 96 GLU C . 27027 1 561 . 1 1 97 97 GLU CA C 13 56.761 0.3 . 1 . . . . 96 GLU CA . 27027 1 562 . 1 1 97 97 GLU CB C 13 29.824 0.3 . 1 . . . . 96 GLU CB . 27027 1 563 . 1 1 97 97 GLU N N 15 120.555 0.3 . 1 . . . . 96 GLU N . 27027 1 564 . 1 1 98 98 GLU H H 1 8.399 0.020 . 1 . . . . 97 GLU H . 27027 1 565 . 1 1 98 98 GLU C C 13 176.368 0.3 . 1 . . . . 97 GLU C . 27027 1 566 . 1 1 98 98 GLU CA C 13 56.366 0.3 . 1 . . . . 97 GLU CA . 27027 1 567 . 1 1 98 98 GLU CB C 13 30.356 0.3 . 1 . . . . 97 GLU CB . 27027 1 568 . 1 1 98 98 GLU N N 15 122.342 0.3 . 1 . . . . 97 GLU N . 27027 1 569 . 1 1 99 99 VAL H H 1 8.169 0.020 . 1 . . . . 98 VAL H . 27027 1 570 . 1 1 99 99 VAL HA H 1 4.079 0.020 . 1 . . . . 98 VAL HA . 27027 1 571 . 1 1 99 99 VAL C C 13 175.884 0.3 . 1 . . . . 98 VAL C . 27027 1 572 . 1 1 99 99 VAL CA C 13 62.149 0.3 . 1 . . . . 98 VAL CA . 27027 1 573 . 1 1 99 99 VAL CB C 13 32.618 0.3 . 1 . . . . 98 VAL CB . 27027 1 574 . 1 1 99 99 VAL N N 15 122.004 0.3 . 1 . . . . 98 VAL N . 27027 1 575 . 1 1 100 100 ALA H H 1 8.466 0.020 . 1 . . . . 99 ALA H . 27027 1 576 . 1 1 100 100 ALA HA H 1 4.298 0.020 . 1 . . . . 99 ALA HA . 27027 1 577 . 1 1 100 100 ALA C C 13 177.668 0.3 . 1 . . . . 99 ALA C . 27027 1 578 . 1 1 100 100 ALA CA C 13 52.471 0.3 . 1 . . . . 99 ALA CA . 27027 1 579 . 1 1 100 100 ALA CB C 13 19.049 0.3 . 1 . . . . 99 ALA CB . 27027 1 580 . 1 1 100 100 ALA N N 15 128.439 0.3 . 1 . . . . 99 ALA N . 27027 1 581 . 1 1 101 101 GLN H H 1 8.443 0.020 . 1 . . . . 100 GLN H . 27027 1 582 . 1 1 101 101 GLN HA H 1 4.298 0.020 . 1 . . . . 100 GLN HA . 27027 1 583 . 1 1 101 101 GLN C C 13 176.066 0.3 . 1 . . . . 100 GLN C . 27027 1 584 . 1 1 101 101 GLN CA C 13 55.764 0.3 . 1 . . . . 100 GLN CA . 27027 1 585 . 1 1 101 101 GLN CB C 13 29.525 0.3 . 1 . . . . 100 GLN CB . 27027 1 586 . 1 1 101 101 GLN N N 15 120.569 0.3 . 1 . . . . 100 GLN N . 27027 1 587 . 1 1 102 102 GLU H H 1 8.530 0.020 . 1 . . . . 101 GLU H . 27027 1 588 . 1 1 102 102 GLU HA H 1 4.254 0.020 . 1 . . . . 101 GLU HA . 27027 1 589 . 1 1 102 102 GLU C C 13 176.126 0.3 . 1 . . . . 101 GLU C . 27027 1 590 . 1 1 102 102 GLU CA C 13 56.262 0.3 . 1 . . . . 101 GLU CA . 27027 1 591 . 1 1 102 102 GLU CB C 13 30.124 0.3 . 1 . . . . 101 GLU CB . 27027 1 592 . 1 1 102 102 GLU N N 15 122.868 0.3 . 1 . . . . 101 GLU N . 27027 1 593 . 1 1 103 103 ALA H H 1 8.438 0.020 . 1 . . . . 102 ALA H . 27027 1 594 . 1 1 103 103 ALA HA H 1 4.317 0.020 . 1 . . . . 102 ALA HA . 27027 1 595 . 1 1 103 103 ALA C C 13 177.260 0.3 . 1 . . . . 102 ALA C . 27027 1 596 . 1 1 103 103 ALA CA C 13 52.272 0.3 . 1 . . . . 102 ALA CA . 27027 1 597 . 1 1 103 103 ALA CB C 13 19.249 0.3 . 1 . . . . 102 ALA CB . 27027 1 598 . 1 1 103 103 ALA N N 15 125.784 0.3 . 1 . . . . 102 ALA N . 27027 1 599 . 1 1 104 104 ALA H H 1 8.351 0.020 . 1 . . . . 103 ALA H . 27027 1 600 . 1 1 104 104 ALA HA H 1 4.317 0.020 . 1 . . . . 103 ALA HA . 27027 1 601 . 1 1 104 104 ALA C C 13 177.608 0.3 . 1 . . . . 103 ALA C . 27027 1 602 . 1 1 104 104 ALA CA C 13 52.172 0.3 . 1 . . . . 103 ALA CA . 27027 1 603 . 1 1 104 104 ALA CB C 13 19.249 0.3 . 1 . . . . 103 ALA CB . 27027 1 604 . 1 1 104 104 ALA N N 15 124.217 0.3 . 1 . . . . 103 ALA N . 27027 1 605 . 1 1 105 105 GLU H H 1 8.411 0.020 . 1 . . . . 104 GLU H . 27027 1 606 . 1 1 105 105 GLU HA H 1 4.279 0.020 . 1 . . . . 104 GLU HA . 27027 1 607 . 1 1 105 105 GLU C C 13 176.292 0.3 . 1 . . . . 104 GLU C . 27027 1 608 . 1 1 105 105 GLU CA C 13 56.063 0.3 . 1 . . . . 104 GLU CA . 27027 1 609 . 1 1 105 105 GLU CB C 13 30.423 0.3 . 1 . . . . 104 GLU CB . 27027 1 610 . 1 1 105 105 GLU N N 15 120.785 0.3 . 1 . . . . 104 GLU N . 27027 1 611 . 1 1 106 106 GLU H H 1 8.497 0.020 . 1 . . . . 105 GLU H . 27027 1 612 . 1 1 106 106 GLU C C 13 174.418 0.3 . 1 . . . . 105 GLU C . 27027 1 613 . 1 1 106 106 GLU CB C 13 29.924 0.3 . 1 . . . . 105 GLU CB . 27027 1 614 . 1 1 106 106 GLU N N 15 124.097 0.3 . 1 . . . . 105 GLU N . 27027 1 615 . 1 1 107 107 PRO C C 13 176.519 0.3 . 1 . . . . 106 PRO C . 27027 1 616 . 1 1 107 107 PRO CA C 13 62.947 0.3 . 1 . . . . 106 PRO CA . 27027 1 617 . 1 1 107 107 PRO CB C 13 32.019 0.3 . 1 . . . . 106 PRO CB . 27027 1 618 . 1 1 108 108 LEU H H 1 8.407 0.020 . 1 . . . . 107 LEU H . 27027 1 619 . 1 1 108 108 LEU HA H 1 4.342 0.020 . 1 . . . . 107 LEU HA . 27027 1 620 . 1 1 108 108 LEU C C 13 177.124 0.3 . 1 . . . . 107 LEU C . 27027 1 621 . 1 1 108 108 LEU CA C 13 54.965 0.3 . 1 . . . . 107 LEU CA . 27027 1 622 . 1 1 108 108 LEU CB C 13 42.096 0.3 . 1 . . . . 107 LEU CB . 27027 1 623 . 1 1 108 108 LEU N N 15 123.224 0.3 . 1 . . . . 107 LEU N . 27027 1 624 . 1 1 109 109 ILE H H 1 8.269 0.020 . 1 . . . . 108 ILE H . 27027 1 625 . 1 1 109 109 ILE HA H 1 4.179 0.020 . 1 . . . . 108 ILE HA . 27027 1 626 . 1 1 109 109 ILE C C 13 175.914 0.3 . 1 . . . . 108 ILE C . 27027 1 627 . 1 1 109 109 ILE CA C 13 60.453 0.3 . 1 . . . . 108 ILE CA . 27027 1 628 . 1 1 109 109 ILE CB C 13 38.504 0.3 . 1 . . . . 108 ILE CB . 27027 1 629 . 1 1 109 109 ILE N N 15 123.708 0.3 . 1 . . . . 108 ILE N . 27027 1 630 . 1 1 110 110 GLU H H 1 8.505 0.020 . 1 . . . . 109 GLU H . 27027 1 631 . 1 1 110 110 GLU HA H 1 4.580 0.020 . 1 . . . . 109 GLU HA . 27027 1 632 . 1 1 110 110 GLU C C 13 174.221 0.3 . 1 . . . . 109 GLU C . 27027 1 633 . 1 1 110 110 GLU CA C 13 54.267 0.3 . 1 . . . . 109 GLU CA . 27027 1 634 . 1 1 110 110 GLU CB C 13 29.725 0.3 . 1 . . . . 109 GLU CB . 27027 1 635 . 1 1 110 110 GLU N N 15 127.392 0.3 . 1 . . . . 109 GLU N . 27027 1 636 . 1 1 111 111 PRO C C 13 176.625 0.3 . 1 . . . . 110 PRO C . 27027 1 637 . 1 1 111 111 PRO CA C 13 62.947 0.3 . 1 . . . . 110 PRO CA . 27027 1 638 . 1 1 111 111 PRO CB C 13 32.019 0.3 . 1 . . . . 110 PRO CB . 27027 1 639 . 1 1 112 112 LEU H H 1 8.382 0.020 . 1 . . . . 111 LEU H . 27027 1 640 . 1 1 112 112 LEU HA H 1 4.317 0.020 . 1 . . . . 111 LEU HA . 27027 1 641 . 1 1 112 112 LEU C C 13 177.290 0.3 . 1 . . . . 111 LEU C . 27027 1 642 . 1 1 112 112 LEU CA C 13 54.866 0.3 . 1 . . . . 111 LEU CA . 27027 1 643 . 1 1 112 112 LEU CB C 13 42.096 0.3 . 1 . . . . 111 LEU CB . 27027 1 644 . 1 1 112 112 LEU N N 15 122.703 0.3 . 1 . . . . 111 LEU N . 27027 1 645 . 1 1 113 113 MET H H 1 8.448 0.020 . 1 . . . . 112 MET H . 27027 1 646 . 1 1 113 113 MET HA H 1 4.517 0.020 . 1 . . . . 112 MET HA . 27027 1 647 . 1 1 113 113 MET C C 13 175.839 0.3 . 1 . . . . 112 MET C . 27027 1 648 . 1 1 113 113 MET CA C 13 54.866 0.3 . 1 . . . . 112 MET CA . 27027 1 649 . 1 1 113 113 MET CB C 13 32.917 0.3 . 1 . . . . 112 MET CB . 27027 1 650 . 1 1 113 113 MET N N 15 122.455 0.3 . 1 . . . . 112 MET N . 27027 1 651 . 1 1 114 114 GLU H H 1 8.481 0.020 . 1 . . . . 113 GLU H . 27027 1 652 . 1 1 114 114 GLU C C 13 174.418 0.3 . 1 . . . . 113 GLU C . 27027 1 653 . 1 1 114 114 GLU CA C 13 54.367 0.3 . 1 . . . . 113 GLU CA . 27027 1 654 . 1 1 114 114 GLU CB C 13 29.625 0.3 . 1 . . . . 113 GLU CB . 27027 1 655 . 1 1 114 114 GLU N N 15 124.153 0.3 . 1 . . . . 113 GLU N . 27027 1 656 . 1 1 115 115 PRO C C 13 177.030 0.3 . 1 . . . . 114 PRO C . 27027 1 657 . 1 1 115 115 PRO CA C 13 63.047 0.3 . 1 . . . . 114 PRO CA . 27027 1 658 . 1 1 115 115 PRO CB C 13 32.019 0.3 . 1 . . . . 114 PRO CB . 27027 1 659 . 1 1 116 116 GLU H H 1 8.622 0.020 . 1 . . . . 115 GLU H . 27027 1 660 . 1 1 116 116 GLU HA H 1 4.261 0.020 . 1 . . . . 115 GLU HA . 27027 1 661 . 1 1 116 116 GLU C C 13 177.079 0.3 . 1 . . . . 115 GLU C . 27027 1 662 . 1 1 116 116 GLU CA C 13 56.562 0.3 . 1 . . . . 115 GLU CA . 27027 1 663 . 1 1 116 116 GLU CB C 13 30.323 0.3 . 1 . . . . 115 GLU CB . 27027 1 664 . 1 1 116 116 GLU N N 15 121.721 0.3 . 1 . . . . 115 GLU N . 27027 1 665 . 1 1 117 117 GLY H H 1 8.456 0.020 . 1 . . . . 116 GLY H . 27027 1 666 . 1 1 117 117 GLY HA2 H 1 3.954 0.020 . 1 . . . . 116 GLY HA2 . 27027 1 667 . 1 1 117 117 GLY HA3 H 1 3.954 0.020 . 1 . . . . 116 GLY HA3 . 27027 1 668 . 1 1 117 117 GLY C C 13 173.889 0.3 . 1 . . . . 116 GLY C . 27027 1 669 . 1 1 117 117 GLY CA C 13 45.089 0.3 . 1 . . . . 116 GLY CA . 27027 1 670 . 1 1 117 117 GLY N N 15 110.239 0.3 . 1 . . . . 116 GLY N . 27027 1 671 . 1 1 118 118 GLU H H 1 8.355 0.020 . 1 . . . . 117 GLU H . 27027 1 672 . 1 1 118 118 GLU HA H 1 4.248 0.020 . 1 . . . . 117 GLU HA . 27027 1 673 . 1 1 118 118 GLU C C 13 176.338 0.3 . 1 . . . . 117 GLU C . 27027 1 674 . 1 1 118 118 GLU CA C 13 56.462 0.3 . 1 . . . . 117 GLU CA . 27027 1 675 . 1 1 118 118 GLU CB C 13 30.323 0.3 . 1 . . . . 117 GLU CB . 27027 1 676 . 1 1 118 118 GLU N N 15 120.582 0.3 . 1 . . . . 117 GLU N . 27027 1 677 . 1 1 119 119 SER H H 1 8.406 0.020 . 1 . . . . 118 SER H . 27027 1 678 . 1 1 119 119 SER HA H 1 4.436 0.020 . 1 . . . . 118 SER HA . 27027 1 679 . 1 1 119 119 SER C C 13 173.919 0.3 . 1 . . . . 118 SER C . 27027 1 680 . 1 1 119 119 SER CA C 13 57.958 0.3 . 1 . . . . 118 SER CA . 27027 1 681 . 1 1 119 119 SER CB C 13 63.845 0.3 . 1 . . . . 118 SER CB . 27027 1 682 . 1 1 119 119 SER N N 15 117.088 0.3 . 1 . . . . 118 SER N . 27027 1 683 . 1 1 120 120 TYR H H 1 8.343 0.020 . 1 . . . . 119 TYR H . 27027 1 684 . 1 1 120 120 TYR HA H 1 4.586 0.020 . 1 . . . . 119 TYR HA . 27027 1 685 . 1 1 120 120 TYR C C 13 175.355 0.3 . 1 . . . . 119 TYR C . 27027 1 686 . 1 1 120 120 TYR CA C 13 57.859 0.3 . 1 . . . . 119 TYR CA . 27027 1 687 . 1 1 120 120 TYR CB C 13 38.903 0.3 . 1 . . . . 119 TYR CB . 27027 1 688 . 1 1 120 120 TYR N N 15 123.011 0.3 . 1 . . . . 119 TYR N . 27027 1 689 . 1 1 121 121 GLU H H 1 8.169 0.020 . 1 . . . . 120 GLU H . 27027 1 690 . 1 1 121 121 GLU HA H 1 4.286 0.020 . 1 . . . . 120 GLU HA . 27027 1 691 . 1 1 121 121 GLU C C 13 175.401 0.3 . 1 . . . . 120 GLU C . 27027 1 692 . 1 1 121 121 GLU CA C 13 55.764 0.3 . 1 . . . . 120 GLU CA . 27027 1 693 . 1 1 121 121 GLU CB C 13 30.922 0.3 . 1 . . . . 120 GLU CB . 27027 1 694 . 1 1 121 121 GLU N N 15 123.149 0.3 . 1 . . . . 120 GLU N . 27027 1 695 . 1 1 122 122 ASP H H 1 8.447 0.020 . 1 . . . . 121 ASP H . 27027 1 696 . 1 1 122 122 ASP HA H 1 4.811 0.020 . 1 . . . . 121 ASP HA . 27027 1 697 . 1 1 122 122 ASP C C 13 173.692 0.3 . 1 . . . . 121 ASP C . 27027 1 698 . 1 1 122 122 ASP CA C 13 52.671 0.3 . 1 . . . . 121 ASP CA . 27027 1 699 . 1 1 122 122 ASP CB C 13 40.200 0.3 . 1 . . . . 121 ASP CB . 27027 1 700 . 1 1 122 122 ASP N N 15 123.551 0.3 . 1 . . . . 121 ASP N . 27027 1 701 . 1 1 124 124 PRO C C 13 176.912 0.3 . 1 . . . . 123 PRO C . 27027 1 702 . 1 1 124 124 PRO CA C 13 62.847 0.3 . 1 . . . . 123 PRO CA . 27027 1 703 . 1 1 124 124 PRO CB C 13 31.919 0.3 . 1 . . . . 123 PRO CB . 27027 1 704 . 1 1 125 125 GLN H H 1 8.566 0.020 . 1 . . . . 124 GLN H . 27027 1 705 . 1 1 125 125 GLN HA H 1 4.298 0.020 . 1 . . . . 124 GLN HA . 27027 1 706 . 1 1 125 125 GLN C C 13 176.035 0.3 . 1 . . . . 124 GLN C . 27027 1 707 . 1 1 125 125 GLN CA C 13 55.664 0.3 . 1 . . . . 124 GLN CA . 27027 1 708 . 1 1 125 125 GLN CB C 13 29.625 0.3 . 1 . . . . 124 GLN CB . 27027 1 709 . 1 1 125 125 GLN N N 15 121.274 0.3 . 1 . . . . 124 GLN N . 27027 1 710 . 1 1 126 126 GLU H H 1 8.556 0.020 . 1 . . . . 125 GLU H . 27027 1 711 . 1 1 126 126 GLU HA H 1 4.261 0.020 . 1 . . . . 125 GLU HA . 27027 1 712 . 1 1 126 126 GLU C C 13 176.202 0.3 . 1 . . . . 125 GLU C . 27027 1 713 . 1 1 126 126 GLU CA C 13 56.262 0.3 . 1 . . . . 125 GLU CA . 27027 1 714 . 1 1 126 126 GLU CB C 13 30.223 0.3 . 1 . . . . 125 GLU CB . 27027 1 715 . 1 1 126 126 GLU N N 15 122.993 0.3 . 1 . . . . 125 GLU N . 27027 1 716 . 1 1 127 127 GLU H H 1 8.508 0.020 . 1 . . . . 126 GLU H . 27027 1 717 . 1 1 127 127 GLU HA H 1 4.254 0.020 . 1 . . . . 126 GLU HA . 27027 1 718 . 1 1 127 127 GLU C C 13 175.945 0.3 . 1 . . . . 126 GLU C . 27027 1 719 . 1 1 127 127 GLU CA C 13 56.362 0.3 . 1 . . . . 126 GLU CA . 27027 1 720 . 1 1 127 127 GLU CB C 13 30.423 0.3 . 1 . . . . 126 GLU CB . 27027 1 721 . 1 1 127 127 GLU N N 15 122.456 0.3 . 1 . . . . 126 GLU N . 27027 1 722 . 1 1 128 128 TYR H H 1 8.384 0.020 . 1 . . . . 127 TYR H . 27027 1 723 . 1 1 128 128 TYR HA H 1 4.561 0.020 . 1 . . . . 127 TYR HA . 27027 1 724 . 1 1 128 128 TYR C C 13 175.316 0.3 . 1 . . . . 127 TYR C . 27027 1 725 . 1 1 128 128 TYR CA C 13 58.058 0.3 . 1 . . . . 127 TYR CA . 27027 1 726 . 1 1 128 128 TYR CB C 13 38.803 0.3 . 1 . . . . 127 TYR CB . 27027 1 727 . 1 1 128 128 TYR N N 15 122.460 0.3 . 1 . . . . 127 TYR N . 27027 1 728 . 1 1 129 129 GLN H H 1 8.178 0.020 . 1 . . . . 128 GLN H . 27027 1 729 . 1 1 129 129 GLN HA H 1 4.261 0.020 . 1 . . . . 128 GLN HA . 27027 1 730 . 1 1 129 129 GLN C C 13 174.841 0.3 . 1 . . . . 128 GLN C . 27027 1 731 . 1 1 129 129 GLN CA C 13 54.965 0.3 . 1 . . . . 128 GLN CA . 27027 1 732 . 1 1 129 129 GLN CB C 13 29.924 0.3 . 1 . . . . 128 GLN CB . 27027 1 733 . 1 1 129 129 GLN N N 15 123.756 0.3 . 1 . . . . 128 GLN N . 27027 1 734 . 1 1 130 130 GLU H H 1 8.381 0.020 . 1 . . . . 129 GLU H . 27027 1 735 . 1 1 130 130 GLU HA H 1 4.148 0.020 . 1 . . . . 129 GLU HA . 27027 1 736 . 1 1 130 130 GLU C C 13 175.802 0.3 . 1 . . . . 129 GLU C . 27027 1 737 . 1 1 130 130 GLU CA C 13 56.262 0.3 . 1 . . . . 129 GLU CA . 27027 1 738 . 1 1 130 130 GLU CB C 13 30.223 0.3 . 1 . . . . 129 GLU CB . 27027 1 739 . 1 1 130 130 GLU N N 15 123.011 0.3 . 1 . . . . 129 GLU N . 27027 1 740 . 1 1 131 131 TYR H H 1 8.290 0.020 . 1 . . . . 130 TYR H . 27027 1 741 . 1 1 131 131 TYR HA H 1 4.561 0.020 . 1 . . . . 130 TYR HA . 27027 1 742 . 1 1 131 131 TYR C C 13 175.061 0.3 . 1 . . . . 130 TYR C . 27027 1 743 . 1 1 131 131 TYR CA C 13 57.559 0.3 . 1 . . . . 130 TYR CA . 27027 1 744 . 1 1 131 131 TYR CB C 13 39.103 0.3 . 1 . . . . 130 TYR CB . 27027 1 745 . 1 1 131 131 TYR N N 15 122.002 0.3 . 1 . . . . 130 TYR N . 27027 1 746 . 1 1 132 132 GLU H H 1 8.318 0.020 . 1 . . . . 131 GLU H . 27027 1 747 . 1 1 132 132 GLU HA H 1 4.542 0.020 . 1 . . . . 131 GLU HA . 27027 1 748 . 1 1 132 132 GLU C C 13 173.707 0.3 . 1 . . . . 131 GLU C . 27027 1 749 . 1 1 132 132 GLU CA C 13 53.668 0.3 . 1 . . . . 131 GLU CA . 27027 1 750 . 1 1 132 132 GLU CB C 13 30.124 0.3 . 1 . . . . 131 GLU CB . 27027 1 751 . 1 1 132 132 GLU N N 15 125.615 0.3 . 1 . . . . 131 GLU N . 27027 1 752 . 1 1 133 133 PRO C C 13 176.867 0.3 . 1 . . . . 132 PRO C . 27027 1 753 . 1 1 133 133 PRO CA C 13 62.947 0.3 . 1 . . . . 132 PRO CA . 27027 1 754 . 1 1 133 133 PRO CB C 13 32.119 0.3 . 1 . . . . 132 PRO CB . 27027 1 755 . 1 1 134 134 GLU H H 1 8.545 0.020 . 1 . . . . 133 GLU H . 27027 1 756 . 1 1 134 134 GLU HA H 1 4.211 0.020 . 1 . . . . 133 GLU HA . 27027 1 757 . 1 1 134 134 GLU C C 13 175.401 0.3 . 1 . . . . 133 GLU C . 27027 1 758 . 1 1 134 134 GLU CA C 13 56.462 0.3 . 1 . . . . 133 GLU CA . 27027 1 759 . 1 1 134 134 GLU CB C 13 30.223 0.3 . 1 . . . . 133 GLU CB . 27027 1 760 . 1 1 134 134 GLU N N 15 121.670 0.3 . 1 . . . . 133 GLU N . 27027 1 761 . 1 1 135 135 ALA H H 1 8.020 0.020 . 1 . . . . 134 ALA H . 27027 1 762 . 1 1 135 135 ALA HA H 1 4.110 0.020 . 1 . . . . 134 ALA HA . 27027 1 763 . 1 1 135 135 ALA C C 13 172.574 0.3 . 1 . . . . 134 ALA C . 27027 1 764 . 1 1 135 135 ALA CA C 13 53.868 0.3 . 1 . . . . 134 ALA CA . 27027 1 765 . 1 1 135 135 ALA CB C 13 20.047 0.3 . 1 . . . . 134 ALA CB . 27027 1 766 . 1 1 135 135 ALA N N 15 130.959 0.3 . 1 . . . . 134 ALA N . 27027 1 stop_ save_