data_51824 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51824 _Entry.Title ; 1H, 13C, 15N backbone NMR resonance assignments for the N-terminal RNA recognition motif of the Sorghum Glycine-Rich RNA-Binding Protein(SbGRBP) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-06 _Entry.Accession_date 2023-02-06 _Entry.Last_release_date 2023-02-06 _Entry.Original_release_date 2023-02-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Harpreet Singh . . . 0000-0001-8378-3263 51824 2 Harshad Paithankar . . . 0000-0003-0693-9417 51824 3 Supreet Singh . . . . 51824 4 Prabhjeet Singh . . . . 51824 5 Ashutosh Kumar . . . . 51824 6 'Venus Singh' Mithu . . . . 51824 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51824 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 51824 '15N chemical shifts' 101 51824 '1H chemical shifts' 101 51824 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 . . 2024-11-19 . original BMRB . 51824 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51824 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39442831 _Citation.DOI 10.1016/j.ijbiomac.2024.136668 _Citation.Full_citation . _Citation.Title ; Structural insights to the RRM-domain of the glycine-rich RNA-binding protein from Sorghum bicolor and its role in cold stress tolerance in E. coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Biol. Macromol.' _Citation.Journal_name_full 'International journal of biological macromolecules' _Citation.Journal_volume 282 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-0003 _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 136668 _Citation.Page_last 136668 _Citation.Year 2024 _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 Harpreet Singh H. . . . 51824 1 2 Harshad Paithankar H. . . . 51824 1 3 Chetan Poojari C. S. . . 51824 1 4 Kirandeep Kaur K. . . . 51824 1 5 Supreet Singh S. . . . 51824 1 6 Rahul Shobhawat R. . . . 51824 1 7 Prabhjeet Singh P. . . . 51824 1 8 Ashutosh Kumar A. . . . 51824 1 9 'Venus Singh' Mithu V. S. . . 51824 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51824 _Assembly.ID 1 _Assembly.Name SbGRBP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 SbGRBP 1 $entity_1 . . yes native no no . . . 51824 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51824 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MAAFNKLGSLLRHSALASGV AASSSPAVFNAARLMSTKLF VGGLSWGVDDMKLREAFSGF GDVTEARVITDRDTGKSRGF GFVNYTSSDAANAAISGMDG KEIDGRPVRVNIANDRPAGN APPPPPLRSGC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues NAPPPPPLRSGC at the C terminal is part of the fusion tag of the protein.' _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13587 _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 . MET . 51824 1 2 . ALA . 51824 1 3 . ALA . 51824 1 4 . PHE . 51824 1 5 . ASN . 51824 1 6 . LYS . 51824 1 7 . LEU . 51824 1 8 . GLY . 51824 1 9 . SER . 51824 1 10 . LEU . 51824 1 11 . LEU . 51824 1 12 . ARG . 51824 1 13 . HIS . 51824 1 14 . SER . 51824 1 15 . ALA . 51824 1 16 . LEU . 51824 1 17 . ALA . 51824 1 18 . SER . 51824 1 19 . GLY . 51824 1 20 . VAL . 51824 1 21 . ALA . 51824 1 22 . ALA . 51824 1 23 . SER . 51824 1 24 . SER . 51824 1 25 . SER . 51824 1 26 . PRO . 51824 1 27 . ALA . 51824 1 28 . VAL . 51824 1 29 . PHE . 51824 1 30 . ASN . 51824 1 31 . ALA . 51824 1 32 . ALA . 51824 1 33 . ARG . 51824 1 34 . LEU . 51824 1 35 . MET . 51824 1 36 . SER . 51824 1 37 . THR . 51824 1 38 . LYS . 51824 1 39 . LEU . 51824 1 40 . PHE . 51824 1 41 . VAL . 51824 1 42 . GLY . 51824 1 43 . GLY . 51824 1 44 . LEU . 51824 1 45 . SER . 51824 1 46 . TRP . 51824 1 47 . GLY . 51824 1 48 . VAL . 51824 1 49 . ASP . 51824 1 50 . ASP . 51824 1 51 . MET . 51824 1 52 . LYS . 51824 1 53 . LEU . 51824 1 54 . ARG . 51824 1 55 . GLU . 51824 1 56 . ALA . 51824 1 57 . PHE . 51824 1 58 . SER . 51824 1 59 . GLY . 51824 1 60 . PHE . 51824 1 61 . GLY . 51824 1 62 . ASP . 51824 1 63 . VAL . 51824 1 64 . THR . 51824 1 65 . GLU . 51824 1 66 . ALA . 51824 1 67 . ARG . 51824 1 68 . VAL . 51824 1 69 . ILE . 51824 1 70 . THR . 51824 1 71 . ASP . 51824 1 72 . ARG . 51824 1 73 . ASP . 51824 1 74 . THR . 51824 1 75 . GLY . 51824 1 76 . LYS . 51824 1 77 . SER . 51824 1 78 . ARG . 51824 1 79 . GLY . 51824 1 80 . PHE . 51824 1 81 . GLY . 51824 1 82 . PHE . 51824 1 83 . VAL . 51824 1 84 . ASN . 51824 1 85 . TYR . 51824 1 86 . THR . 51824 1 87 . SER . 51824 1 88 . SER . 51824 1 89 . ASP . 51824 1 90 . ALA . 51824 1 91 . ALA . 51824 1 92 . ASN . 51824 1 93 . ALA . 51824 1 94 . ALA . 51824 1 95 . ILE . 51824 1 96 . SER . 51824 1 97 . GLY . 51824 1 98 . MET . 51824 1 99 . ASP . 51824 1 100 . GLY . 51824 1 101 . LYS . 51824 1 102 . GLU . 51824 1 103 . ILE . 51824 1 104 . ASP . 51824 1 105 . GLY . 51824 1 106 . ARG . 51824 1 107 . PRO . 51824 1 108 . VAL . 51824 1 109 . ARG . 51824 1 110 . VAL . 51824 1 111 . ASN . 51824 1 112 . ILE . 51824 1 113 . ALA . 51824 1 114 . ASN . 51824 1 115 . ASP . 51824 1 116 . ARG . 51824 1 117 . PRO . 51824 1 118 . ALA . 51824 1 119 . GLY . 51824 1 120 . ASN . 51824 1 121 . ALA . 51824 1 122 . PRO . 51824 1 123 . PRO . 51824 1 124 . PRO . 51824 1 125 . PRO . 51824 1 126 . PRO . 51824 1 127 . LEU . 51824 1 128 . ARG . 51824 1 129 . SER . 51824 1 130 . GLY . 51824 1 131 . CYS . 51824 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51824 1 . ALA 2 2 51824 1 . ALA 3 3 51824 1 . PHE 4 4 51824 1 . ASN 5 5 51824 1 . LYS 6 6 51824 1 . LEU 7 7 51824 1 . GLY 8 8 51824 1 . SER 9 9 51824 1 . LEU 10 10 51824 1 . LEU 11 11 51824 1 . ARG 12 12 51824 1 . HIS 13 13 51824 1 . SER 14 14 51824 1 . ALA 15 15 51824 1 . LEU 16 16 51824 1 . ALA 17 17 51824 1 . SER 18 18 51824 1 . GLY 19 19 51824 1 . VAL 20 20 51824 1 . ALA 21 21 51824 1 . ALA 22 22 51824 1 . SER 23 23 51824 1 . SER 24 24 51824 1 . SER 25 25 51824 1 . PRO 26 26 51824 1 . ALA 27 27 51824 1 . VAL 28 28 51824 1 . PHE 29 29 51824 1 . ASN 30 30 51824 1 . ALA 31 31 51824 1 . ALA 32 32 51824 1 . ARG 33 33 51824 1 . LEU 34 34 51824 1 . MET 35 35 51824 1 . SER 36 36 51824 1 . THR 37 37 51824 1 . LYS 38 38 51824 1 . LEU 39 39 51824 1 . PHE 40 40 51824 1 . VAL 41 41 51824 1 . GLY 42 42 51824 1 . GLY 43 43 51824 1 . LEU 44 44 51824 1 . SER 45 45 51824 1 . TRP 46 46 51824 1 . GLY 47 47 51824 1 . VAL 48 48 51824 1 . ASP 49 49 51824 1 . ASP 50 50 51824 1 . MET 51 51 51824 1 . LYS 52 52 51824 1 . LEU 53 53 51824 1 . ARG 54 54 51824 1 . GLU 55 55 51824 1 . ALA 56 56 51824 1 . PHE 57 57 51824 1 . SER 58 58 51824 1 . GLY 59 59 51824 1 . PHE 60 60 51824 1 . GLY 61 61 51824 1 . ASP 62 62 51824 1 . VAL 63 63 51824 1 . THR 64 64 51824 1 . GLU 65 65 51824 1 . ALA 66 66 51824 1 . ARG 67 67 51824 1 . VAL 68 68 51824 1 . ILE 69 69 51824 1 . THR 70 70 51824 1 . ASP 71 71 51824 1 . ARG 72 72 51824 1 . ASP 73 73 51824 1 . THR 74 74 51824 1 . GLY 75 75 51824 1 . LYS 76 76 51824 1 . SER 77 77 51824 1 . ARG 78 78 51824 1 . GLY 79 79 51824 1 . PHE 80 80 51824 1 . GLY 81 81 51824 1 . PHE 82 82 51824 1 . VAL 83 83 51824 1 . ASN 84 84 51824 1 . TYR 85 85 51824 1 . THR 86 86 51824 1 . SER 87 87 51824 1 . SER 88 88 51824 1 . ASP 89 89 51824 1 . ALA 90 90 51824 1 . ALA 91 91 51824 1 . ASN 92 92 51824 1 . ALA 93 93 51824 1 . ALA 94 94 51824 1 . ILE 95 95 51824 1 . SER 96 96 51824 1 . GLY 97 97 51824 1 . MET 98 98 51824 1 . ASP 99 99 51824 1 . GLY 100 100 51824 1 . LYS 101 101 51824 1 . GLU 102 102 51824 1 . ILE 103 103 51824 1 . ASP 104 104 51824 1 . GLY 105 105 51824 1 . ARG 106 106 51824 1 . PRO 107 107 51824 1 . VAL 108 108 51824 1 . ARG 109 109 51824 1 . VAL 110 110 51824 1 . ASN 111 111 51824 1 . ILE 112 112 51824 1 . ALA 113 113 51824 1 . ASN 114 114 51824 1 . ASP 115 115 51824 1 . ARG 116 116 51824 1 . PRO 117 117 51824 1 . ALA 118 118 51824 1 . GLY 119 119 51824 1 . ASN 120 120 51824 1 . ALA 121 121 51824 1 . PRO 122 122 51824 1 . PRO 123 123 51824 1 . PRO 124 124 51824 1 . PRO 125 125 51824 1 . PRO 126 126 51824 1 . LEU 127 127 51824 1 . ARG 128 128 51824 1 . SER 129 129 51824 1 . GLY 130 130 51824 1 . CYS 131 131 51824 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51824 _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 $entity_1 . 4558 organism . 'Sorghum bicolor' 'Sorghum bicolor' . . Eukaryota Viridiplantae Sorghum bicolor . . . . . . . . . . . . . 51824 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51824 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . plasmid . . pET-28a+ . . . 51824 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51824 _Sample.ID 1 _Sample.Name SbGRBP _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 mM NaCl was added to stabilize the protein.' _Sample.Aggregate_sample_number 1 _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 SbGRBP '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 51824 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 51824 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51824 1 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 51824 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51824 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 51824 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_Condition_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' 300 . mM 51824 1 pH 6.2 . pH 51824 1 pressure 1 . atm 51824 1 temperature 298 . K 51824 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51824 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51824 1 processing . 51824 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51824 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51824 2 'peak picking' . 51824 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51824 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III 750-MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51824 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker AVANCE AV 800-MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 51824 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'BrukerAvance III HD 950 MHZ' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51824 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51824 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51824 1 3 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51824 1 4 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51824 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51824 1 6 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51824 1 7 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51824 1 8 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51824 1 9 '3D 1H-15N TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51824 1 10 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51824 1 11 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51824 1 12 '3D 1H-15N TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51824 1 13 '3D 1H-15N TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51824 1 14 '3D 1H-13C NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51824 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51824 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS_IUPAC referencing' _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 . . . . . 51824 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51824 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51824 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51824 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'N-terminal RNA recognition motif of the Sorghum Glycine-Rich RNA-Binding Protein(SbGRBP)' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 51824 1 2 '3D HNCA' . . . 51824 1 3 '3D HN(CO)CA' . . . 51824 1 4 '3D CBCANH' . . . 51824 1 5 '3D HNCACB' . . . 51824 1 6 '3D CBCACONH' . . . 51824 1 7 '3D HNCO' . . . 51824 1 8 '3D HN(CA)CO' . . . 51824 1 9 '3D 1H-15N TOCSY' . . . 51824 1 10 '3D 1H-15N NOESY' . . . 51824 1 11 '3D 1H-15N NOESY' . . . 51824 1 12 '3D 1H-15N TOCSY' . . . 51824 1 13 '3D 1H-15N TOCSY' . . . 51824 1 14 '3D 1H-13C NOESY' . . . 51824 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51824 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 7.207 0.020 . 1 . . . . . 1 MET H . 51824 1 2 . 1 . 1 1 1 MET C C 13 171.185 0.3 . 1 . . . . . 1 MET C . 51824 1 3 . 1 . 1 1 1 MET CA C 13 53.214 0.3 . 1 . . . . . 1 MET CA . 51824 1 4 . 1 . 1 1 1 MET CB C 13 30.895 0.3 . 1 . . . . . 1 MET CB . 51824 1 5 . 1 . 1 1 1 MET N N 15 121.319 0.3 . 1 . . . . . 1 MET N . 51824 1 6 . 1 . 1 2 2 ALA H H 1 8.457 0.020 . 1 . . . . . 2 ALA H . 51824 1 7 . 1 . 1 2 2 ALA C C 13 171.995 0.3 . 1 . . . . . 2 ALA C . 51824 1 8 . 1 . 1 2 2 ALA CA C 13 48.759 0.3 . 1 . . . . . 2 ALA CA . 51824 1 9 . 1 . 1 2 2 ALA CB C 13 17.096 0.3 . 1 . . . . . 2 ALA CB . 51824 1 10 . 1 . 1 2 2 ALA N N 15 127.569 0.3 . 1 . . . . . 2 ALA N . 51824 1 11 . 1 . 1 3 3 ALA H H 1 8.593 0.020 . 1 . . . . . 3 ALA H . 51824 1 12 . 1 . 1 3 3 ALA C C 13 172.534 0.3 . 1 . . . . . 3 ALA C . 51824 1 13 . 1 . 1 3 3 ALA CA C 13 50.263 0.3 . 1 . . . . . 3 ALA CA . 51824 1 14 . 1 . 1 3 3 ALA CB C 13 16.415 0.3 . 1 . . . . . 3 ALA CB . 51824 1 15 . 1 . 1 3 3 ALA N N 15 119.244 0.3 . 1 . . . . . 3 ALA N . 51824 1 16 . 1 . 1 4 4 PHE H H 1 8.107 0.020 . 1 . . . . . 4 PHE H . 51824 1 17 . 1 . 1 4 4 PHE C C 13 171.914 0.3 . 1 . . . . . 4 PHE C . 51824 1 18 . 1 . 1 4 4 PHE CA C 13 58.482 0.3 . 1 . . . . . 4 PHE CA . 51824 1 19 . 1 . 1 4 4 PHE CB C 13 35.989 0.3 . 1 . . . . . 4 PHE CB . 51824 1 20 . 1 . 1 4 4 PHE N N 15 121.722 0.3 . 1 . . . . . 4 PHE N . 51824 1 21 . 1 . 1 5 5 ASN H H 1 8.383 0.020 . 1 . . . . . 5 ASN H . 51824 1 22 . 1 . 1 5 5 ASN C C 13 174.018 0.3 . 1 . . . . . 5 ASN C . 51824 1 23 . 1 . 1 5 5 ASN CA C 13 51.822 0.3 . 1 . . . . . 5 ASN CA . 51824 1 24 . 1 . 1 5 5 ASN CB C 13 38.368 0.3 . 1 . . . . . 5 ASN CB . 51824 1 25 . 1 . 1 5 5 ASN N N 15 120.828 0.3 . 1 . . . . . 5 ASN N . 51824 1 26 . 1 . 1 6 6 LYS H H 1 8.432 0.020 . 1 . . . . . 6 LYS H . 51824 1 27 . 1 . 1 6 6 LYS C C 13 173.532 0.3 . 1 . . . . . 6 LYS C . 51824 1 28 . 1 . 1 6 6 LYS CA C 13 49.928 0.3 . 1 . . . . . 6 LYS CA . 51824 1 29 . 1 . 1 6 6 LYS CB C 13 30.257 0.3 . 1 . . . . . 6 LYS CB . 51824 1 30 . 1 . 1 6 6 LYS N N 15 126.360 0.3 . 1 . . . . . 6 LYS N . 51824 1 31 . 1 . 1 7 7 LEU H H 1 8.061 0.020 . 1 . . . . . 7 LEU H . 51824 1 32 . 1 . 1 7 7 LEU C C 13 174.206 0.3 . 1 . . . . . 7 LEU C . 51824 1 33 . 1 . 1 7 7 LEU CA C 13 52.599 0.3 . 1 . . . . . 7 LEU CA . 51824 1 34 . 1 . 1 7 7 LEU CB C 13 39.449 0.3 . 1 . . . . . 7 LEU CB . 51824 1 35 . 1 . 1 7 7 LEU N N 15 122.115 0.3 . 1 . . . . . 7 LEU N . 51824 1 36 . 1 . 1 8 8 GLY H H 1 8.282 0.020 . 1 . . . . . 8 GLY H . 51824 1 37 . 1 . 1 8 8 GLY C C 13 172.345 0.3 . 1 . . . . . 8 GLY C . 51824 1 38 . 1 . 1 8 8 GLY CA C 13 42.968 0.3 . 1 . . . . . 8 GLY CA . 51824 1 39 . 1 . 1 8 8 GLY N N 15 108.970 0.3 . 1 . . . . . 8 GLY N . 51824 1 40 . 1 . 1 9 9 SER H H 1 8.100 0.020 . 1 . . . . . 9 SER H . 51824 1 41 . 1 . 1 9 9 SER C C 13 172.372 0.3 . 1 . . . . . 9 SER C . 51824 1 42 . 1 . 1 9 9 SER CA C 13 56.054 0.3 . 1 . . . . . 9 SER CA . 51824 1 43 . 1 . 1 9 9 SER CB C 13 60.978 0.3 . 1 . . . . . 9 SER CB . 51824 1 44 . 1 . 1 9 9 SER N N 15 115.579 0.3 . 1 . . . . . 9 SER N . 51824 1 45 . 1 . 1 10 10 LEU H H 1 8.043 0.020 . 1 . . . . . 10 LEU H . 51824 1 46 . 1 . 1 10 10 LEU C C 13 172.210 0.3 . 1 . . . . . 10 LEU C . 51824 1 47 . 1 . 1 10 10 LEU CA C 13 59.395 0.3 . 1 . . . . . 10 LEU CA . 51824 1 48 . 1 . 1 10 10 LEU CB C 13 42.571 0.3 . 1 . . . . . 10 LEU CB . 51824 1 49 . 1 . 1 10 10 LEU N N 15 112.037 0.3 . 1 . . . . . 10 LEU N . 51824 1 50 . 1 . 1 11 11 LEU H H 1 8.235 0.020 . 1 . . . . . 11 LEU H . 51824 1 51 . 1 . 1 11 11 LEU C C 13 172.939 0.3 . 1 . . . . . 11 LEU C . 51824 1 52 . 1 . 1 11 11 LEU CA C 13 55.690 0.3 . 1 . . . . . 11 LEU CA . 51824 1 53 . 1 . 1 11 11 LEU CB C 13 37.715 0.3 . 1 . . . . . 11 LEU CB . 51824 1 54 . 1 . 1 11 11 LEU N N 15 107.241 0.3 . 1 . . . . . 11 LEU N . 51824 1 55 . 1 . 1 12 12 ARG H H 1 7.806 0.020 . 1 . . . . . 12 ARG H . 51824 1 56 . 1 . 1 12 12 ARG C C 13 176.445 0.3 . 1 . . . . . 12 ARG C . 51824 1 57 . 1 . 1 12 12 ARG CA C 13 55.541 0.3 . 1 . . . . . 12 ARG CA . 51824 1 58 . 1 . 1 12 12 ARG CB C 13 29.042 0.3 . 1 . . . . . 12 ARG CB . 51824 1 59 . 1 . 1 12 12 ARG N N 15 117.294 0.3 . 1 . . . . . 12 ARG N . 51824 1 60 . 1 . 1 13 13 HIS H H 1 8.379 0.020 . 1 . . . . . 13 HIS H . 51824 1 61 . 1 . 1 13 13 HIS C C 13 174.018 0.3 . 1 . . . . . 13 HIS C . 51824 1 62 . 1 . 1 13 13 HIS CA C 13 56.250 0.3 . 1 . . . . . 13 HIS CA . 51824 1 63 . 1 . 1 13 13 HIS CB C 13 30.365 0.3 . 1 . . . . . 13 HIS CB . 51824 1 64 . 1 . 1 13 13 HIS N N 15 121.570 0.3 . 1 . . . . . 13 HIS N . 51824 1 65 . 1 . 1 14 14 SER H H 1 7.933 0.020 . 1 . . . . . 14 SER H . 51824 1 66 . 1 . 1 14 14 SER C C 13 172.615 0.3 . 1 . . . . . 14 SER C . 51824 1 67 . 1 . 1 14 14 SER CA C 13 56.332 0.3 . 1 . . . . . 14 SER CA . 51824 1 68 . 1 . 1 14 14 SER CB C 13 69.029 0.3 . 1 . . . . . 14 SER CB . 51824 1 69 . 1 . 1 14 14 SER N N 15 116.437 0.3 . 1 . . . . . 14 SER N . 51824 1 70 . 1 . 1 15 15 ALA H H 1 8.137 0.020 . 1 . . . . . 15 ALA H . 51824 1 71 . 1 . 1 15 15 ALA C C 13 176.931 0.3 . 1 . . . . . 15 ALA C . 51824 1 72 . 1 . 1 15 15 ALA CA C 13 54.495 0.3 . 1 . . . . . 15 ALA CA . 51824 1 73 . 1 . 1 15 15 ALA CB C 13 16.199 0.3 . 1 . . . . . 15 ALA CB . 51824 1 74 . 1 . 1 15 15 ALA N N 15 125.338 0.3 . 1 . . . . . 15 ALA N . 51824 1 75 . 1 . 1 16 16 LEU H H 1 8.524 0.020 . 1 . . . . . 16 LEU H . 51824 1 76 . 1 . 1 16 16 LEU C C 13 172.480 0.3 . 1 . . . . . 16 LEU C . 51824 1 77 . 1 . 1 16 16 LEU CA C 13 53.102 0.3 . 1 . . . . . 16 LEU CA . 51824 1 78 . 1 . 1 16 16 LEU CB C 13 41.323 0.3 . 1 . . . . . 16 LEU CB . 51824 1 79 . 1 . 1 16 16 LEU N N 15 114.140 0.3 . 1 . . . . . 16 LEU N . 51824 1 80 . 1 . 1 17 17 ALA H H 1 8.168 0.020 . 1 . . . . . 17 ALA H . 51824 1 81 . 1 . 1 17 17 ALA C C 13 175.609 0.3 . 1 . . . . . 17 ALA C . 51824 1 82 . 1 . 1 17 17 ALA CA C 13 50.318 0.3 . 1 . . . . . 17 ALA CA . 51824 1 83 . 1 . 1 17 17 ALA CB C 13 16.279 0.3 . 1 . . . . . 17 ALA CB . 51824 1 84 . 1 . 1 17 17 ALA N N 15 124.520 0.3 . 1 . . . . . 17 ALA N . 51824 1 85 . 1 . 1 18 18 SER H H 1 8.171 0.020 . 1 . . . . . 18 SER H . 51824 1 86 . 1 . 1 18 18 SER C C 13 175.582 0.3 . 1 . . . . . 18 SER C . 51824 1 87 . 1 . 1 18 18 SER CA C 13 55.775 0.3 . 1 . . . . . 18 SER CA . 51824 1 88 . 1 . 1 18 18 SER CB C 13 60.964 0.3 . 1 . . . . . 18 SER CB . 51824 1 89 . 1 . 1 18 18 SER N N 15 114.474 0.3 . 1 . . . . . 18 SER N . 51824 1 90 . 1 . 1 19 19 GLY H H 1 8.369 0.020 . 1 . . . . . 19 GLY H . 51824 1 91 . 1 . 1 19 19 GLY C C 13 171.995 0.3 . 1 . . . . . 19 GLY C . 51824 1 92 . 1 . 1 19 19 GLY CA C 13 42.745 0.3 . 1 . . . . . 19 GLY CA . 51824 1 93 . 1 . 1 19 19 GLY N N 15 111.033 0.3 . 1 . . . . . 19 GLY N . 51824 1 94 . 1 . 1 20 20 VAL H H 1 8.014 0.020 . 1 . . . . . 20 VAL H . 51824 1 95 . 1 . 1 20 20 VAL C C 13 176.580 0.3 . 1 . . . . . 20 VAL C . 51824 1 96 . 1 . 1 20 20 VAL CA C 13 51.432 0.3 . 1 . . . . . 20 VAL CA . 51824 1 97 . 1 . 1 20 20 VAL CB C 13 27.770 0.3 . 1 . . . . . 20 VAL CB . 51824 1 98 . 1 . 1 20 20 VAL N N 15 119.800 0.3 . 1 . . . . . 20 VAL N . 51824 1 99 . 1 . 1 21 21 ALA H H 1 8.373 0.020 . 1 . . . . . 21 ALA H . 51824 1 100 . 1 . 1 21 21 ALA C C 13 174.530 0.3 . 1 . . . . . 21 ALA C . 51824 1 101 . 1 . 1 21 21 ALA CA C 13 50.040 0.3 . 1 . . . . . 21 ALA CA . 51824 1 102 . 1 . 1 21 21 ALA CB C 13 16.990 0.3 . 1 . . . . . 21 ALA CB . 51824 1 103 . 1 . 1 21 21 ALA N N 15 124.329 0.3 . 1 . . . . . 21 ALA N . 51824 1 104 . 1 . 1 22 22 ALA H H 1 8.232 0.020 . 1 . . . . . 22 ALA H . 51824 1 105 . 1 . 1 22 22 ALA C C 13 175.312 0.3 . 1 . . . . . 22 ALA C . 51824 1 106 . 1 . 1 22 22 ALA CA C 13 49.756 0.3 . 1 . . . . . 22 ALA CA . 51824 1 107 . 1 . 1 22 22 ALA CB C 13 16.415 0.3 . 1 . . . . . 22 ALA CB . 51824 1 108 . 1 . 1 22 22 ALA N N 15 123.270 0.3 . 1 . . . . . 22 ALA N . 51824 1 109 . 1 . 1 23 23 SER H H 1 8.214 0.020 . 1 . . . . . 23 SER H . 51824 1 110 . 1 . 1 23 23 SER C C 13 172.372 0.3 . 1 . . . . . 23 SER C . 51824 1 111 . 1 . 1 23 23 SER CA C 13 55.742 0.3 . 1 . . . . . 23 SER CA . 51824 1 112 . 1 . 1 23 23 SER CB C 13 60.754 0.3 . 1 . . . . . 23 SER CB . 51824 1 113 . 1 . 1 23 23 SER N N 15 114.495 0.3 . 1 . . . . . 23 SER N . 51824 1 114 . 1 . 1 24 24 SER H H 1 8.235 0.020 . 1 . . . . . 24 SER H . 51824 1 115 . 1 . 1 24 24 SER C C 13 170.484 0.3 . 1 . . . . . 24 SER C . 51824 1 116 . 1 . 1 24 24 SER CA C 13 53.659 0.3 . 1 . . . . . 24 SER CA . 51824 1 117 . 1 . 1 24 24 SER CB C 13 60.644 0.3 . 1 . . . . . 24 SER CB . 51824 1 118 . 1 . 1 24 24 SER N N 15 118.484 0.3 . 1 . . . . . 24 SER N . 51824 1 119 . 1 . 1 27 27 ALA H H 1 8.396 0.020 . 1 . . . . . 27 ALA H . 51824 1 120 . 1 . 1 27 27 ALA C C 13 175.690 0.3 . 1 . . . . . 27 ALA C . 51824 1 121 . 1 . 1 27 27 ALA CA C 13 50.479 0.3 . 1 . . . . . 27 ALA CA . 51824 1 122 . 1 . 1 27 27 ALA CB C 13 16.415 0.3 . 1 . . . . . 27 ALA CB . 51824 1 123 . 1 . 1 27 27 ALA N N 15 126.091 0.3 . 1 . . . . . 27 ALA N . 51824 1 124 . 1 . 1 28 28 VAL H H 1 8.050 0.020 . 1 . . . . . 28 VAL H . 51824 1 125 . 1 . 1 28 28 VAL C C 13 174.422 0.3 . 1 . . . . . 28 VAL C . 51824 1 126 . 1 . 1 28 28 VAL CA C 13 53.477 0.3 . 1 . . . . . 28 VAL CA . 51824 1 127 . 1 . 1 28 28 VAL CB C 13 30.257 0.3 . 1 . . . . . 28 VAL CB . 51824 1 128 . 1 . 1 28 28 VAL N N 15 120.411 0.3 . 1 . . . . . 28 VAL N . 51824 1 129 . 1 . 1 29 29 PHE H H 1 8.474 0.020 . 1 . . . . . 29 PHE H . 51824 1 130 . 1 . 1 29 29 PHE C C 13 174.530 0.3 . 1 . . . . . 29 PHE C . 51824 1 131 . 1 . 1 29 29 PHE CA C 13 54.996 0.3 . 1 . . . . . 29 PHE CA . 51824 1 132 . 1 . 1 29 29 PHE CB C 13 40.855 0.3 . 1 . . . . . 29 PHE CB . 51824 1 133 . 1 . 1 29 29 PHE N N 15 122.492 0.3 . 1 . . . . . 29 PHE N . 51824 1 134 . 1 . 1 30 30 ASN H H 1 8.761 0.020 . 1 . . . . . 30 ASN H . 51824 1 135 . 1 . 1 30 30 ASN CA C 13 49.037 0.3 . 1 . . . . . 30 ASN CA . 51824 1 136 . 1 . 1 30 30 ASN CB C 13 39.695 0.3 . 1 . . . . . 30 ASN CB . 51824 1 137 . 1 . 1 30 30 ASN N N 15 124.872 0.3 . 1 . . . . . 30 ASN N . 51824 1 138 . 1 . 1 32 32 ALA H H 1 8.131 0.020 . 1 . . . . . 32 ALA H . 51824 1 139 . 1 . 1 32 32 ALA C C 13 176.148 0.3 . 1 . . . . . 32 ALA C . 51824 1 140 . 1 . 1 32 32 ALA CA C 13 53.570 0.3 . 1 . . . . . 32 ALA CA . 51824 1 141 . 1 . 1 32 32 ALA CB C 13 16.307 0.3 . 1 . . . . . 32 ALA CB . 51824 1 142 . 1 . 1 32 32 ALA N N 15 114.495 0.3 . 1 . . . . . 32 ALA N . 51824 1 143 . 1 . 1 33 33 ARG H H 1 8.288 0.020 . 1 . . . . . 33 ARG H . 51824 1 144 . 1 . 1 33 33 ARG C C 13 172.453 0.3 . 1 . . . . . 33 ARG C . 51824 1 145 . 1 . 1 33 33 ARG CA C 13 52.991 0.3 . 1 . . . . . 33 ARG CA . 51824 1 146 . 1 . 1 33 33 ARG CB C 13 27.229 0.3 . 1 . . . . . 33 ARG CB . 51824 1 147 . 1 . 1 33 33 ARG N N 15 119.267 0.3 . 1 . . . . . 33 ARG N . 51824 1 148 . 1 . 1 34 34 LEU H H 1 8.258 0.020 . 1 . . . . . 34 LEU H . 51824 1 149 . 1 . 1 34 34 LEU C C 13 173.964 0.3 . 1 . . . . . 34 LEU C . 51824 1 150 . 1 . 1 34 34 LEU CA C 13 50.318 0.3 . 1 . . . . . 34 LEU CA . 51824 1 151 . 1 . 1 34 34 LEU CB C 13 36.313 0.3 . 1 . . . . . 34 LEU CB . 51824 1 152 . 1 . 1 34 34 LEU N N 15 121.660 0.3 . 1 . . . . . 34 LEU N . 51824 1 153 . 1 . 1 35 35 MET H H 1 9.515 0.020 . 1 . . . . . 35 MET H . 51824 1 154 . 1 . 1 35 35 MET C C 13 182.082 0.3 . 1 . . . . . 35 MET C . 51824 1 155 . 1 . 1 35 35 MET CA C 13 52.645 0.3 . 1 . . . . . 35 MET CA . 51824 1 156 . 1 . 1 35 35 MET N N 15 129.893 0.3 . 1 . . . . . 35 MET N . 51824 1 157 . 1 . 1 36 36 SER H H 1 8.636 0.020 . 1 . . . . . 36 SER H . 51824 1 158 . 1 . 1 36 36 SER C C 13 174.341 0.3 . 1 . . . . . 36 SER C . 51824 1 159 . 1 . 1 36 36 SER CA C 13 55.887 0.3 . 1 . . . . . 36 SER CA . 51824 1 160 . 1 . 1 36 36 SER CB C 13 61.185 0.3 . 1 . . . . . 36 SER CB . 51824 1 161 . 1 . 1 36 36 SER N N 15 115.591 0.3 . 1 . . . . . 36 SER N . 51824 1 162 . 1 . 1 38 38 LYS H H 1 7.962 0.020 . 1 . . . . . 38 LYS H . 51824 1 163 . 1 . 1 38 38 LYS C C 13 172.723 0.3 . 1 . . . . . 38 LYS C . 51824 1 164 . 1 . 1 38 38 LYS CA C 13 52.824 0.3 . 1 . . . . . 38 LYS CA . 51824 1 165 . 1 . 1 38 38 LYS CB C 13 32.442 0.3 . 1 . . . . . 38 LYS CB . 51824 1 166 . 1 . 1 38 38 LYS N N 15 124.027 0.3 . 1 . . . . . 38 LYS N . 51824 1 167 . 1 . 1 39 39 LEU H H 1 9.637 0.020 . 1 . . . . . 39 LEU H . 51824 1 168 . 1 . 1 39 39 LEU C C 13 174.341 0.3 . 1 . . . . . 39 LEU C . 51824 1 169 . 1 . 1 39 39 LEU CA C 13 50.541 0.3 . 1 . . . . . 39 LEU CA . 51824 1 170 . 1 . 1 39 39 LEU CB C 13 41.506 0.3 . 1 . . . . . 39 LEU CB . 51824 1 171 . 1 . 1 39 39 LEU N N 15 124.901 0.3 . 1 . . . . . 39 LEU N . 51824 1 172 . 1 . 1 40 40 PHE H H 1 8.321 0.020 . 1 . . . . . 40 PHE H . 51824 1 173 . 1 . 1 40 40 PHE C C 13 173.937 0.3 . 1 . . . . . 40 PHE C . 51824 1 174 . 1 . 1 40 40 PHE CA C 13 59.339 0.3 . 1 . . . . . 40 PHE CA . 51824 1 175 . 1 . 1 40 40 PHE CB C 13 38.368 0.3 . 1 . . . . . 40 PHE CB . 51824 1 176 . 1 . 1 40 40 PHE N N 15 120.632 0.3 . 1 . . . . . 40 PHE N . 51824 1 177 . 1 . 1 42 42 GLY H H 1 9.222 0.020 . 1 . . . . . 42 GLY H . 51824 1 178 . 1 . 1 42 42 GLY C C 13 171.617 0.3 . 1 . . . . . 42 GLY C . 51824 1 179 . 1 . 1 42 42 GLY CA C 13 40.740 0.3 . 1 . . . . . 42 GLY CA . 51824 1 180 . 1 . 1 42 42 GLY N N 15 112.274 0.3 . 1 . . . . . 42 GLY N . 51824 1 181 . 1 . 1 43 43 GLY H H 1 8.229 0.020 . 1 . . . . . 43 GLY H . 51824 1 182 . 1 . 1 43 43 GLY C C 13 172.939 0.3 . 1 . . . . . 43 GLY C . 51824 1 183 . 1 . 1 43 43 GLY CA C 13 43.264 0.3 . 1 . . . . . 43 GLY CA . 51824 1 184 . 1 . 1 43 43 GLY N N 15 107.159 0.3 . 1 . . . . . 43 GLY N . 51824 1 185 . 1 . 1 44 44 LEU H H 1 7.605 0.020 . 1 . . . . . 44 LEU H . 51824 1 186 . 1 . 1 44 44 LEU C C 13 175.879 0.3 . 1 . . . . . 44 LEU C . 51824 1 187 . 1 . 1 44 44 LEU CA C 13 51.042 0.3 . 1 . . . . . 44 LEU CA . 51824 1 188 . 1 . 1 44 44 LEU CB C 13 40.306 0.3 . 1 . . . . . 44 LEU CB . 51824 1 189 . 1 . 1 44 44 LEU N N 15 116.489 0.3 . 1 . . . . . 44 LEU N . 51824 1 190 . 1 . 1 45 45 SER H H 1 8.727 0.020 . 1 . . . . . 45 SER H . 51824 1 191 . 1 . 1 45 45 SER C C 13 174.179 0.3 . 1 . . . . . 45 SER C . 51824 1 192 . 1 . 1 45 45 SER CA C 13 54.606 0.3 . 1 . . . . . 45 SER CA . 51824 1 193 . 1 . 1 45 45 SER CB C 13 60.964 0.3 . 1 . . . . . 45 SER CB . 51824 1 194 . 1 . 1 45 45 SER N N 15 117.872 0.3 . 1 . . . . . 45 SER N . 51824 1 195 . 1 . 1 46 46 TRP H H 1 8.318 0.020 . 1 . . . . . 46 TRP H . 51824 1 196 . 1 . 1 46 46 TRP C C 13 174.314 0.3 . 1 . . . . . 46 TRP C . 51824 1 197 . 1 . 1 46 46 TRP CA C 13 56.165 0.3 . 1 . . . . . 46 TRP CA . 51824 1 198 . 1 . 1 46 46 TRP CB C 13 25.824 0.3 . 1 . . . . . 46 TRP CB . 51824 1 199 . 1 . 1 46 46 TRP N N 15 125.156 0.3 . 1 . . . . . 46 TRP N . 51824 1 200 . 1 . 1 47 47 GLY H H 1 7.974 0.020 . 1 . . . . . 47 GLY H . 51824 1 201 . 1 . 1 47 47 GLY C C 13 172.507 0.3 . 1 . . . . . 47 GLY C . 51824 1 202 . 1 . 1 47 47 GLY CA C 13 42.299 0.3 . 1 . . . . . 47 GLY CA . 51824 1 203 . 1 . 1 47 47 GLY N N 15 105.630 0.3 . 1 . . . . . 47 GLY N . 51824 1 204 . 1 . 1 48 48 VAL H H 1 7.885 0.020 . 1 . . . . . 48 VAL H . 51824 1 205 . 1 . 1 48 48 VAL C C 13 173.883 0.3 . 1 . . . . . 48 VAL C . 51824 1 206 . 1 . 1 48 48 VAL CA C 13 59.455 0.3 . 1 . . . . . 48 VAL CA . 51824 1 207 . 1 . 1 48 48 VAL CB C 13 29.392 0.3 . 1 . . . . . 48 VAL CB . 51824 1 208 . 1 . 1 48 48 VAL N N 15 119.278 0.3 . 1 . . . . . 48 VAL N . 51824 1 209 . 1 . 1 49 49 ASP H H 1 8.245 0.020 . 1 . . . . . 49 ASP H . 51824 1 210 . 1 . 1 49 49 ASP C C 13 175.717 0.3 . 1 . . . . . 49 ASP C . 51824 1 211 . 1 . 1 49 49 ASP CA C 13 55.187 0.3 . 1 . . . . . 49 ASP CA . 51824 1 212 . 1 . 1 49 49 ASP CB C 13 36.854 0.3 . 1 . . . . . 49 ASP CB . 51824 1 213 . 1 . 1 49 49 ASP N N 15 123.521 0.3 . 1 . . . . . 49 ASP N . 51824 1 214 . 1 . 1 50 50 ASP H H 1 8.249 0.020 . 1 . . . . . 50 ASP H . 51824 1 215 . 1 . 1 50 50 ASP C C 13 173.991 0.3 . 1 . . . . . 50 ASP C . 51824 1 216 . 1 . 1 50 50 ASP CA C 13 50.374 0.3 . 1 . . . . . 50 ASP CA . 51824 1 217 . 1 . 1 50 50 ASP CB C 13 36.097 0.3 . 1 . . . . . 50 ASP CB . 51824 1 218 . 1 . 1 50 50 ASP N N 15 121.233 0.3 . 1 . . . . . 50 ASP N . 51824 1 219 . 1 . 1 51 51 MET H H 1 8.288 0.020 . 1 . . . . . 51 MET H . 51824 1 220 . 1 . 1 51 51 MET C C 13 173.478 0.3 . 1 . . . . . 51 MET C . 51824 1 221 . 1 . 1 51 51 MET CA C 13 51.488 0.3 . 1 . . . . . 51 MET CA . 51824 1 222 . 1 . 1 51 51 MET CB C 13 38.457 0.3 . 1 . . . . . 51 MET CB . 51824 1 223 . 1 . 1 51 51 MET N N 15 120.744 0.3 . 1 . . . . . 51 MET N . 51824 1 224 . 1 . 1 52 52 LYS H H 1 8.083 0.020 . 1 . . . . . 52 LYS H . 51824 1 225 . 1 . 1 52 52 LYS C C 13 171.860 0.3 . 1 . . . . . 52 LYS C . 51824 1 226 . 1 . 1 52 52 LYS CA C 13 51.444 0.3 . 1 . . . . . 52 LYS CA . 51824 1 227 . 1 . 1 52 52 LYS CB C 13 27.446 0.3 . 1 . . . . . 52 LYS CB . 51824 1 228 . 1 . 1 52 52 LYS N N 15 121.298 0.3 . 1 . . . . . 52 LYS N . 51824 1 229 . 1 . 1 54 54 ARG H H 1 8.674 0.020 . 1 . . . . . 54 ARG H . 51824 1 230 . 1 . 1 54 54 ARG C C 13 174.152 0.3 . 1 . . . . . 54 ARG C . 51824 1 231 . 1 . 1 54 54 ARG CA C 13 60.063 0.3 . 1 . . . . . 54 ARG CA . 51824 1 232 . 1 . 1 54 54 ARG CB C 13 29.893 0.3 . 1 . . . . . 54 ARG CB . 51824 1 233 . 1 . 1 54 54 ARG N N 15 124.690 0.3 . 1 . . . . . 54 ARG N . 51824 1 234 . 1 . 1 55 55 GLU H H 1 8.350 0.020 . 1 . . . . . 55 GLU H . 51824 1 235 . 1 . 1 55 55 GLU C C 13 175.420 0.3 . 1 . . . . . 55 GLU C . 51824 1 236 . 1 . 1 55 55 GLU CA C 13 49.817 0.3 . 1 . . . . . 55 GLU CA . 51824 1 237 . 1 . 1 55 55 GLU CB C 13 29.392 0.3 . 1 . . . . . 55 GLU CB . 51824 1 238 . 1 . 1 55 55 GLU N N 15 127.406 0.3 . 1 . . . . . 55 GLU N . 51824 1 239 . 1 . 1 56 56 ALA H H 1 8.081 0.020 . 1 . . . . . 56 ALA H . 51824 1 240 . 1 . 1 56 56 ALA C C 13 173.370 0.3 . 1 . . . . . 56 ALA C . 51824 1 241 . 1 . 1 56 56 ALA CA C 13 55.002 0.3 . 1 . . . . . 56 ALA CA . 51824 1 242 . 1 . 1 56 56 ALA N N 15 118.820 0.3 . 1 . . . . . 56 ALA N . 51824 1 243 . 1 . 1 58 58 SER H H 1 8.111 0.020 . 1 . . . . . 58 SER H . 51824 1 244 . 1 . 1 58 58 SER C C 13 173.802 0.3 . 1 . . . . . 58 SER C . 51824 1 245 . 1 . 1 58 58 SER CA C 13 55.775 0.3 . 1 . . . . . 58 SER CA . 51824 1 246 . 1 . 1 58 58 SER CB C 13 60.861 0.3 . 1 . . . . . 58 SER CB . 51824 1 247 . 1 . 1 58 58 SER N N 15 116.189 0.3 . 1 . . . . . 58 SER N . 51824 1 248 . 1 . 1 59 59 GLY H H 1 8.664 0.020 . 1 . . . . . 59 GLY H . 51824 1 249 . 1 . 1 59 59 GLY C C 13 172.804 0.3 . 1 . . . . . 59 GLY C . 51824 1 250 . 1 . 1 59 59 GLY CA C 13 43.023 0.3 . 1 . . . . . 59 GLY CA . 51824 1 251 . 1 . 1 59 59 GLY N N 15 108.159 0.3 . 1 . . . . . 59 GLY N . 51824 1 252 . 1 . 1 60 60 PHE H H 1 7.462 0.020 . 1 . . . . . 60 PHE H . 51824 1 253 . 1 . 1 60 60 PHE C C 13 172.480 0.3 . 1 . . . . . 60 PHE C . 51824 1 254 . 1 . 1 60 60 PHE CA C 13 53.547 0.3 . 1 . . . . . 60 PHE CA . 51824 1 255 . 1 . 1 60 60 PHE CB C 13 39.017 0.3 . 1 . . . . . 60 PHE CB . 51824 1 256 . 1 . 1 60 60 PHE N N 15 112.520 0.3 . 1 . . . . . 60 PHE N . 51824 1 257 . 1 . 1 61 61 GLY H H 1 8.768 0.020 . 1 . . . . . 61 GLY H . 51824 1 258 . 1 . 1 61 61 GLY C C 13 167.463 0.3 . 1 . . . . . 61 GLY C . 51824 1 259 . 1 . 1 61 61 GLY CA C 13 42.689 0.3 . 1 . . . . . 61 GLY CA . 51824 1 260 . 1 . 1 61 61 GLY N N 15 106.413 0.3 . 1 . . . . . 61 GLY N . 51824 1 261 . 1 . 1 65 65 GLU H H 1 8.243 0.020 . 1 . . . . . 65 GLU H . 51824 1 262 . 1 . 1 65 65 GLU C C 13 171.968 0.3 . 1 . . . . . 65 GLU C . 51824 1 263 . 1 . 1 65 65 GLU CA C 13 58.006 0.3 . 1 . . . . . 65 GLU CA . 51824 1 264 . 1 . 1 65 65 GLU N N 15 117.685 0.3 . 1 . . . . . 65 GLU N . 51824 1 265 . 1 . 1 66 66 ALA H H 1 8.896 0.020 . 1 . . . . . 66 ALA H . 51824 1 266 . 1 . 1 66 66 ALA C C 13 174.719 0.3 . 1 . . . . . 66 ALA C . 51824 1 267 . 1 . 1 66 66 ALA CA C 13 49.734 0.3 . 1 . . . . . 66 ALA CA . 51824 1 268 . 1 . 1 66 66 ALA CB C 13 16.415 0.3 . 1 . . . . . 66 ALA CB . 51824 1 269 . 1 . 1 66 66 ALA N N 15 130.170 0.3 . 1 . . . . . 66 ALA N . 51824 1 270 . 1 . 1 67 67 ARG H H 1 7.984 0.020 . 1 . . . . . 67 ARG H . 51824 1 271 . 1 . 1 67 67 ARG C C 13 174.206 0.3 . 1 . . . . . 67 ARG C . 51824 1 272 . 1 . 1 67 67 ARG CA C 13 53.548 0.3 . 1 . . . . . 67 ARG CA . 51824 1 273 . 1 . 1 67 67 ARG CB C 13 27.685 0.3 . 1 . . . . . 67 ARG CB . 51824 1 274 . 1 . 1 67 67 ARG N N 15 119.043 0.3 . 1 . . . . . 67 ARG N . 51824 1 275 . 1 . 1 71 71 ASP H H 1 8.703 0.020 . 1 . . . . . 71 ASP H . 51824 1 276 . 1 . 1 71 71 ASP C C 13 172.615 0.3 . 1 . . . . . 71 ASP C . 51824 1 277 . 1 . 1 71 71 ASP CA C 13 51.265 0.3 . 1 . . . . . 71 ASP CA . 51824 1 278 . 1 . 1 71 71 ASP CB C 13 40.128 0.3 . 1 . . . . . 71 ASP CB . 51824 1 279 . 1 . 1 71 71 ASP N N 15 122.673 0.3 . 1 . . . . . 71 ASP N . 51824 1 280 . 1 . 1 72 72 ARG H H 1 8.995 0.020 . 1 . . . . . 72 ARG H . 51824 1 281 . 1 . 1 72 72 ARG C C 13 175.043 0.3 . 1 . . . . . 72 ARG C . 51824 1 282 . 1 . 1 72 72 ARG CA C 13 55.942 0.3 . 1 . . . . . 72 ARG CA . 51824 1 283 . 1 . 1 72 72 ARG CB C 13 27.326 0.3 . 1 . . . . . 72 ARG CB . 51824 1 284 . 1 . 1 72 72 ARG N N 15 127.950 0.3 . 1 . . . . . 72 ARG N . 51824 1 285 . 1 . 1 73 73 ASP H H 1 8.586 0.020 . 1 . . . . . 73 ASP H . 51824 1 286 . 1 . 1 73 73 ASP C C 13 175.744 0.3 . 1 . . . . . 73 ASP C . 51824 1 287 . 1 . 1 73 73 ASP CA C 13 53.882 0.3 . 1 . . . . . 73 ASP CA . 51824 1 288 . 1 . 1 73 73 ASP CB C 13 38.814 0.3 . 1 . . . . . 73 ASP CB . 51824 1 289 . 1 . 1 73 73 ASP N N 15 117.383 0.3 . 1 . . . . . 73 ASP N . 51824 1 290 . 1 . 1 74 74 THR H H 1 8.135 0.020 . 1 . . . . . 74 THR H . 51824 1 291 . 1 . 1 74 74 THR C C 13 174.530 0.3 . 1 . . . . . 74 THR C . 51824 1 292 . 1 . 1 74 74 THR CA C 13 59.117 0.3 . 1 . . . . . 74 THR CA . 51824 1 293 . 1 . 1 74 74 THR CB C 13 68.305 0.3 . 1 . . . . . 74 THR CB . 51824 1 294 . 1 . 1 74 74 THR N N 15 107.360 0.3 . 1 . . . . . 74 THR N . 51824 1 295 . 1 . 1 75 75 GLY H H 1 8.462 0.020 . 1 . . . . . 75 GLY H . 51824 1 296 . 1 . 1 75 75 GLY CA C 13 42.940 0.3 . 1 . . . . . 75 GLY CA . 51824 1 297 . 1 . 1 75 75 GLY N N 15 101.127 0.3 . 1 . . . . . 75 GLY N . 51824 1 298 . 1 . 1 76 76 LYS H H 1 7.884 0.020 . 1 . . . . . 76 LYS H . 51824 1 299 . 1 . 1 76 76 LYS C C 13 173.883 0.3 . 1 . . . . . 76 LYS C . 51824 1 300 . 1 . 1 76 76 LYS CA C 13 59.673 0.3 . 1 . . . . . 76 LYS CA . 51824 1 301 . 1 . 1 76 76 LYS CB C 13 30.041 0.3 . 1 . . . . . 76 LYS CB . 51824 1 302 . 1 . 1 76 76 LYS N N 15 118.669 0.3 . 1 . . . . . 76 LYS N . 51824 1 303 . 1 . 1 77 77 SER H H 1 8.300 0.020 . 1 . . . . . 77 SER H . 51824 1 304 . 1 . 1 77 77 SER C C 13 173.640 0.3 . 1 . . . . . 77 SER C . 51824 1 305 . 1 . 1 77 77 SER CA C 13 56.722 0.3 . 1 . . . . . 77 SER CA . 51824 1 306 . 1 . 1 77 77 SER CB C 13 60.969 0.3 . 1 . . . . . 77 SER CB . 51824 1 307 . 1 . 1 77 77 SER N N 15 116.518 0.3 . 1 . . . . . 77 SER N . 51824 1 308 . 1 . 1 78 78 ARG H H 1 9.097 0.020 . 1 . . . . . 78 ARG H . 51824 1 309 . 1 . 1 78 78 ARG C C 13 175.366 0.3 . 1 . . . . . 78 ARG C . 51824 1 310 . 1 . 1 78 78 ARG CA C 13 53.604 0.3 . 1 . . . . . 78 ARG CA . 51824 1 311 . 1 . 1 78 78 ARG CB C 13 27.770 0.3 . 1 . . . . . 78 ARG CB . 51824 1 312 . 1 . 1 78 78 ARG N N 15 124.141 0.3 . 1 . . . . . 78 ARG N . 51824 1 313 . 1 . 1 79 79 GLY H H 1 9.445 0.020 . 1 . . . . . 79 GLY H . 51824 1 314 . 1 . 1 79 79 GLY C C 13 170.322 0.3 . 1 . . . . . 79 GLY C . 51824 1 315 . 1 . 1 79 79 GLY CA C 13 43.135 0.3 . 1 . . . . . 79 GLY CA . 51824 1 316 . 1 . 1 79 79 GLY N N 15 107.778 0.3 . 1 . . . . . 79 GLY N . 51824 1 317 . 1 . 1 80 80 PHE H H 1 8.647 0.020 . 1 . . . . . 80 PHE H . 51824 1 318 . 1 . 1 80 80 PHE C C 13 172.399 0.3 . 1 . . . . . 80 PHE C . 51824 1 319 . 1 . 1 80 80 PHE CA C 13 51.993 0.3 . 1 . . . . . 80 PHE CA . 51824 1 320 . 1 . 1 80 80 PHE CB C 13 38.082 0.3 . 1 . . . . . 80 PHE CB . 51824 1 321 . 1 . 1 80 80 PHE N N 15 119.969 0.3 . 1 . . . . . 80 PHE N . 51824 1 322 . 1 . 1 81 81 GLY H H 1 8.367 0.020 . 1 . . . . . 81 GLY H . 51824 1 323 . 1 . 1 81 81 GLY C C 13 172.156 0.3 . 1 . . . . . 81 GLY C . 51824 1 324 . 1 . 1 81 81 GLY CA C 13 42.856 0.3 . 1 . . . . . 81 GLY CA . 51824 1 325 . 1 . 1 81 81 GLY N N 15 109.421 0.3 . 1 . . . . . 81 GLY N . 51824 1 326 . 1 . 1 83 83 VAL H H 1 7.966 0.020 . 1 . . . . . 83 VAL H . 51824 1 327 . 1 . 1 83 83 VAL C C 13 171.914 0.3 . 1 . . . . . 83 VAL C . 51824 1 328 . 1 . 1 83 83 VAL CA C 13 57.405 0.3 . 1 . . . . . 83 VAL CA . 51824 1 329 . 1 . 1 83 83 VAL CB C 13 27.536 0.3 . 1 . . . . . 83 VAL CB . 51824 1 330 . 1 . 1 83 83 VAL N N 15 126.402 0.3 . 1 . . . . . 83 VAL N . 51824 1 331 . 1 . 1 84 84 ASN H H 1 8.875 0.020 . 1 . . . . . 84 ASN H . 51824 1 332 . 1 . 1 84 84 ASN C C 13 171.455 0.3 . 1 . . . . . 84 ASN C . 51824 1 333 . 1 . 1 84 84 ASN CA C 13 49.316 0.3 . 1 . . . . . 84 ASN CA . 51824 1 334 . 1 . 1 84 84 ASN CB C 13 40.206 0.3 . 1 . . . . . 84 ASN CB . 51824 1 335 . 1 . 1 84 84 ASN N N 15 120.627 0.3 . 1 . . . . . 84 ASN N . 51824 1 336 . 1 . 1 85 85 TYR H H 1 8.849 0.020 . 1 . . . . . 85 TYR H . 51824 1 337 . 1 . 1 85 85 TYR C C 13 174.260 0.3 . 1 . . . . . 85 TYR C . 51824 1 338 . 1 . 1 85 85 TYR CA C 13 58.448 0.3 . 1 . . . . . 85 TYR CA . 51824 1 339 . 1 . 1 85 85 TYR CB C 13 45.829 0.3 . 1 . . . . . 85 TYR CB . 51824 1 340 . 1 . 1 85 85 TYR N N 15 121.950 0.3 . 1 . . . . . 85 TYR N . 51824 1 341 . 1 . 1 86 86 THR H H 1 9.049 0.020 . 1 . . . . . 86 THR H . 51824 1 342 . 1 . 1 86 86 THR C C 13 173.127 0.3 . 1 . . . . . 86 THR C . 51824 1 343 . 1 . 1 86 86 THR CA C 13 59.673 0.3 . 1 . . . . . 86 THR CA . 51824 1 344 . 1 . 1 86 86 THR CB C 13 65.257 0.3 . 1 . . . . . 86 THR CB . 51824 1 345 . 1 . 1 86 86 THR N N 15 120.772 0.3 . 1 . . . . . 86 THR N . 51824 1 346 . 1 . 1 89 89 ASP H H 1 8.313 0.020 . 1 . . . . . 89 ASP H . 51824 1 347 . 1 . 1 89 89 ASP C C 13 174.422 0.3 . 1 . . . . . 89 ASP C . 51824 1 348 . 1 . 1 89 89 ASP CA C 13 51.822 0.3 . 1 . . . . . 89 ASP CA . 51824 1 349 . 1 . 1 89 89 ASP CB C 13 38.260 0.3 . 1 . . . . . 89 ASP CB . 51824 1 350 . 1 . 1 89 89 ASP N N 15 122.569 0.3 . 1 . . . . . 89 ASP N . 51824 1 351 . 1 . 1 90 90 ALA H H 1 7.286 0.020 . 1 . . . . . 90 ALA H . 51824 1 352 . 1 . 1 90 90 ALA C C 13 175.474 0.3 . 1 . . . . . 90 ALA C . 51824 1 353 . 1 . 1 90 90 ALA CA C 13 51.933 0.3 . 1 . . . . . 90 ALA CA . 51824 1 354 . 1 . 1 90 90 ALA CB C 13 17.185 0.3 . 1 . . . . . 90 ALA CB . 51824 1 355 . 1 . 1 90 90 ALA N N 15 123.669 0.3 . 1 . . . . . 90 ALA N . 51824 1 356 . 1 . 1 91 91 ALA H H 1 6.741 0.020 . 1 . . . . . 91 ALA H . 51824 1 357 . 1 . 1 91 91 ALA C C 13 176.634 0.3 . 1 . . . . . 91 ALA C . 51824 1 358 . 1 . 1 91 91 ALA CA C 13 52.379 0.3 . 1 . . . . . 91 ALA CA . 51824 1 359 . 1 . 1 91 91 ALA CB C 13 14.583 0.3 . 1 . . . . . 91 ALA CB . 51824 1 360 . 1 . 1 91 91 ALA N N 15 118.188 0.3 . 1 . . . . . 91 ALA N . 51824 1 361 . 1 . 1 92 92 ASN H H 1 8.245 0.020 . 1 . . . . . 92 ASN H . 51824 1 362 . 1 . 1 92 92 ASN C C 13 172.939 0.3 . 1 . . . . . 92 ASN C . 51824 1 363 . 1 . 1 92 92 ASN CA C 13 52.880 0.3 . 1 . . . . . 92 ASN CA . 51824 1 364 . 1 . 1 92 92 ASN CB C 13 38.206 0.3 . 1 . . . . . 92 ASN CB . 51824 1 365 . 1 . 1 92 92 ASN N N 15 119.516 0.3 . 1 . . . . . 92 ASN N . 51824 1 366 . 1 . 1 93 93 ALA H H 1 7.867 0.020 . 1 . . . . . 93 ALA H . 51824 1 367 . 1 . 1 93 93 ALA C C 13 177.902 0.3 . 1 . . . . . 93 ALA C . 51824 1 368 . 1 . 1 93 93 ALA CA C 13 52.100 0.3 . 1 . . . . . 93 ALA CA . 51824 1 369 . 1 . 1 93 93 ALA CB C 13 15.031 0.3 . 1 . . . . . 93 ALA CB . 51824 1 370 . 1 . 1 93 93 ALA N N 15 123.713 0.3 . 1 . . . . . 93 ALA N . 51824 1 371 . 1 . 1 94 94 ALA H H 1 8.076 0.020 . 1 . . . . . 94 ALA H . 51824 1 372 . 1 . 1 94 94 ALA C C 13 177.254 0.3 . 1 . . . . . 94 ALA C . 51824 1 373 . 1 . 1 94 94 ALA CA C 13 51.397 0.3 . 1 . . . . . 94 ALA CA . 51824 1 374 . 1 . 1 94 94 ALA CB C 13 16.557 0.3 . 1 . . . . . 94 ALA CB . 51824 1 375 . 1 . 1 94 94 ALA N N 15 122.993 0.3 . 1 . . . . . 94 ALA N . 51824 1 376 . 1 . 1 95 95 ILE H H 1 7.818 0.020 . 1 . . . . . 95 ILE H . 51824 1 377 . 1 . 1 95 95 ILE C C 13 176.202 0.3 . 1 . . . . . 95 ILE C . 51824 1 378 . 1 . 1 95 95 ILE CA C 13 63.683 0.3 . 1 . . . . . 95 ILE CA . 51824 1 379 . 1 . 1 95 95 ILE CB C 13 35.314 0.3 . 1 . . . . . 95 ILE CB . 51824 1 380 . 1 . 1 95 95 ILE N N 15 118.468 0.3 . 1 . . . . . 95 ILE N . 51824 1 381 . 1 . 1 96 96 SER H H 1 9.148 0.020 . 1 . . . . . 96 SER H . 51824 1 382 . 1 . 1 96 96 SER C C 13 172.480 0.3 . 1 . . . . . 96 SER C . 51824 1 383 . 1 . 1 96 96 SER CA C 13 58.059 0.3 . 1 . . . . . 96 SER CA . 51824 1 384 . 1 . 1 96 96 SER CB C 13 59.814 0.3 . 1 . . . . . 96 SER CB . 51824 1 385 . 1 . 1 96 96 SER N N 15 121.257 0.3 . 1 . . . . . 96 SER N . 51824 1 386 . 1 . 1 97 97 GLY H H 1 8.156 0.020 . 1 . . . . . 97 GLY H . 51824 1 387 . 1 . 1 97 97 GLY C C 13 172.588 0.3 . 1 . . . . . 97 GLY C . 51824 1 388 . 1 . 1 97 97 GLY CA C 13 43.357 0.3 . 1 . . . . . 97 GLY CA . 51824 1 389 . 1 . 1 97 97 GLY N N 15 106.016 0.3 . 1 . . . . . 97 GLY N . 51824 1 390 . 1 . 1 98 98 MET H H 1 7.976 0.020 . 1 . . . . . 98 MET H . 51824 1 391 . 1 . 1 98 98 MET C C 13 174.800 0.3 . 1 . . . . . 98 MET C . 51824 1 392 . 1 . 1 98 98 MET CA C 13 50.597 0.3 . 1 . . . . . 98 MET CA . 51824 1 393 . 1 . 1 98 98 MET CB C 13 30.257 0.3 . 1 . . . . . 98 MET CB . 51824 1 394 . 1 . 1 98 98 MET N N 15 115.621 0.3 . 1 . . . . . 98 MET N . 51824 1 395 . 1 . 1 99 99 ASP H H 1 6.865 0.020 . 1 . . . . . 99 ASP H . 51824 1 396 . 1 . 1 99 99 ASP C C 13 172.399 0.3 . 1 . . . . . 99 ASP C . 51824 1 397 . 1 . 1 99 99 ASP CA C 13 56.435 0.3 . 1 . . . . . 99 ASP CA . 51824 1 398 . 1 . 1 99 99 ASP CB C 13 36.929 0.3 . 1 . . . . . 99 ASP CB . 51824 1 399 . 1 . 1 99 99 ASP N N 15 114.129 0.3 . 1 . . . . . 99 ASP N . 51824 1 400 . 1 . 1 100 100 GLY H H 1 7.407 0.020 . 1 . . . . . 100 GLY H . 51824 1 401 . 1 . 1 100 100 GLY C C 13 168.488 0.3 . 1 . . . . . 100 GLY C . 51824 1 402 . 1 . 1 100 100 GLY CA C 13 42.351 0.3 . 1 . . . . . 100 GLY CA . 51824 1 403 . 1 . 1 100 100 GLY N N 15 104.097 0.3 . 1 . . . . . 100 GLY N . 51824 1 404 . 1 . 1 101 101 LYS H H 1 7.304 0.020 . 1 . . . . . 101 LYS H . 51824 1 405 . 1 . 1 101 101 LYS C C 13 171.887 0.3 . 1 . . . . . 101 LYS C . 51824 1 406 . 1 . 1 101 101 LYS CA C 13 61.957 0.3 . 1 . . . . . 101 LYS CA . 51824 1 407 . 1 . 1 101 101 LYS CB C 13 27.986 0.3 . 1 . . . . . 101 LYS CB . 51824 1 408 . 1 . 1 101 101 LYS N N 15 120.896 0.3 . 1 . . . . . 101 LYS N . 51824 1 409 . 1 . 1 104 104 ASP H H 1 7.926 0.020 . 1 . . . . . 104 ASP H . 51824 1 410 . 1 . 1 104 104 ASP C C 13 174.368 0.3 . 1 . . . . . 104 ASP C . 51824 1 411 . 1 . 1 104 104 ASP CA C 13 55.720 0.3 . 1 . . . . . 104 ASP CA . 51824 1 412 . 1 . 1 104 104 ASP CB C 13 39.083 0.3 . 1 . . . . . 104 ASP CB . 51824 1 413 . 1 . 1 104 104 ASP N N 15 118.955 0.3 . 1 . . . . . 104 ASP N . 51824 1 414 . 1 . 1 105 105 GLY H H 1 8.980 0.020 . 1 . . . . . 105 GLY H . 51824 1 415 . 1 . 1 105 105 GLY C C 13 171.887 0.3 . 1 . . . . . 105 GLY C . 51824 1 416 . 1 . 1 105 105 GLY CA C 13 43.302 0.3 . 1 . . . . . 105 GLY CA . 51824 1 417 . 1 . 1 105 105 GLY N N 15 116.365 0.3 . 1 . . . . . 105 GLY N . 51824 1 418 . 1 . 1 106 106 ARG H H 1 7.733 0.020 . 1 . . . . . 106 ARG H . 51824 1 419 . 1 . 1 106 106 ARG C C 13 174.314 0.3 . 1 . . . . . 106 ARG C . 51824 1 420 . 1 . 1 106 106 ARG CA C 13 53.047 0.3 . 1 . . . . . 106 ARG CA . 51824 1 421 . 1 . 1 106 106 ARG CB C 13 30.762 0.3 . 1 . . . . . 106 ARG CB . 51824 1 422 . 1 . 1 106 106 ARG N N 15 119.336 0.3 . 1 . . . . . 106 ARG N . 51824 1 423 . 1 . 1 108 108 VAL H H 1 8.241 0.020 . 1 . . . . . 108 VAL H . 51824 1 424 . 1 . 1 108 108 VAL C C 13 172.966 0.3 . 1 . . . . . 108 VAL C . 51824 1 425 . 1 . 1 108 108 VAL CA C 13 51.543 0.3 . 1 . . . . . 108 VAL CA . 51824 1 426 . 1 . 1 108 108 VAL CB C 13 30.149 0.3 . 1 . . . . . 108 VAL CB . 51824 1 427 . 1 . 1 108 108 VAL N N 15 120.292 0.3 . 1 . . . . . 108 VAL N . 51824 1 428 . 1 . 1 109 109 ARG H H 1 8.273 0.020 . 1 . . . . . 109 ARG H . 51824 1 429 . 1 . 1 109 109 ARG C C 13 175.339 0.3 . 1 . . . . . 109 ARG C . 51824 1 430 . 1 . 1 109 109 ARG CA C 13 53.708 0.3 . 1 . . . . . 109 ARG CA . 51824 1 431 . 1 . 1 109 109 ARG CB C 13 36.097 0.3 . 1 . . . . . 109 ARG CB . 51824 1 432 . 1 . 1 109 109 ARG N N 15 117.867 0.3 . 1 . . . . . 109 ARG N . 51824 1 433 . 1 . 1 110 110 VAL H H 1 8.192 0.020 . 1 . . . . . 110 VAL H . 51824 1 434 . 1 . 1 110 110 VAL C C 13 173.424 0.3 . 1 . . . . . 110 VAL C . 51824 1 435 . 1 . 1 110 110 VAL CA C 13 50.420 0.3 . 1 . . . . . 110 VAL CA . 51824 1 436 . 1 . 1 110 110 VAL CB C 13 29.974 0.3 . 1 . . . . . 110 VAL CB . 51824 1 437 . 1 . 1 110 110 VAL N N 15 121.750 0.3 . 1 . . . . . 110 VAL N . 51824 1 438 . 1 . 1 111 111 ASN H H 1 8.152 0.020 . 1 . . . . . 111 ASN H . 51824 1 439 . 1 . 1 111 111 ASN C C 13 175.960 0.3 . 1 . . . . . 111 ASN C . 51824 1 440 . 1 . 1 111 111 ASN CA C 13 52.991 0.3 . 1 . . . . . 111 ASN CA . 51824 1 441 . 1 . 1 111 111 ASN CB C 13 39.292 0.3 . 1 . . . . . 111 ASN CB . 51824 1 442 . 1 . 1 111 111 ASN N N 15 121.972 0.3 . 1 . . . . . 111 ASN N . 51824 1 443 . 1 . 1 112 112 ILE H H 1 8.103 0.020 . 1 . . . . . 112 ILE H . 51824 1 444 . 1 . 1 112 112 ILE C C 13 171.860 0.3 . 1 . . . . . 112 ILE C . 51824 1 445 . 1 . 1 112 112 ILE CA C 13 53.570 0.3 . 1 . . . . . 112 ILE CA . 51824 1 446 . 1 . 1 112 112 ILE CB C 13 27.554 0.3 . 1 . . . . . 112 ILE CB . 51824 1 447 . 1 . 1 112 112 ILE N N 15 120.954 0.3 . 1 . . . . . 112 ILE N . 51824 1 448 . 1 . 1 113 113 ALA H H 1 7.360 0.020 . 1 . . . . . 113 ALA H . 51824 1 449 . 1 . 1 113 113 ALA C C 13 173.424 0.3 . 1 . . . . . 113 ALA C . 51824 1 450 . 1 . 1 113 113 ALA CA C 13 48.856 0.3 . 1 . . . . . 113 ALA CA . 51824 1 451 . 1 . 1 113 113 ALA N N 15 129.047 0.3 . 1 . . . . . 113 ALA N . 51824 1 452 . 1 . 1 114 114 ASN H H 1 8.048 0.020 . 1 . . . . . 114 ASN H . 51824 1 453 . 1 . 1 114 114 ASN C C 13 175.204 0.3 . 1 . . . . . 114 ASN C . 51824 1 454 . 1 . 1 114 114 ASN CA C 13 50.587 0.3 . 1 . . . . . 114 ASN CA . 51824 1 455 . 1 . 1 114 114 ASN CB C 13 39.449 0.3 . 1 . . . . . 114 ASN CB . 51824 1 456 . 1 . 1 114 114 ASN N N 15 121.854 0.3 . 1 . . . . . 114 ASN N . 51824 1 457 . 1 . 1 115 115 ASP H H 1 9.121 0.020 . 1 . . . . . 115 ASP H . 51824 1 458 . 1 . 1 115 115 ASP C C 13 172.022 0.3 . 1 . . . . . 115 ASP C . 51824 1 459 . 1 . 1 115 115 ASP CA C 13 57.724 0.3 . 1 . . . . . 115 ASP CA . 51824 1 460 . 1 . 1 115 115 ASP CB C 13 27.554 0.3 . 1 . . . . . 115 ASP CB . 51824 1 461 . 1 . 1 115 115 ASP N N 15 123.825 0.3 . 1 . . . . . 115 ASP N . 51824 1 462 . 1 . 1 116 116 ARG H H 1 8.479 0.020 . 1 . . . . . 116 ARG H . 51824 1 463 . 1 . 1 116 116 ARG C C 13 177.254 0.3 . 1 . . . . . 116 ARG C . 51824 1 464 . 1 . 1 116 116 ARG CA C 13 56.945 0.3 . 1 . . . . . 116 ARG CA . 51824 1 465 . 1 . 1 116 116 ARG CB C 13 26.797 0.3 . 1 . . . . . 116 ARG CB . 51824 1 466 . 1 . 1 116 116 ARG N N 15 118.886 0.3 . 1 . . . . . 116 ARG N . 51824 1 467 . 1 . 1 118 118 ALA H H 1 8.452 0.020 . 1 . . . . . 118 ALA H . 51824 1 468 . 1 . 1 118 118 ALA C C 13 174.989 0.3 . 1 . . . . . 118 ALA C . 51824 1 469 . 1 . 1 118 118 ALA CA C 13 49.817 0.3 . 1 . . . . . 118 ALA CA . 51824 1 470 . 1 . 1 118 118 ALA CB C 13 16.524 0.3 . 1 . . . . . 118 ALA CB . 51824 1 471 . 1 . 1 118 118 ALA N N 15 126.372 0.3 . 1 . . . . . 118 ALA N . 51824 1 472 . 1 . 1 119 119 GLY H H 1 8.351 0.020 . 1 . . . . . 119 GLY H . 51824 1 473 . 1 . 1 119 119 GLY C C 13 172.156 0.3 . 1 . . . . . 119 GLY C . 51824 1 474 . 1 . 1 119 119 GLY CA C 13 42.745 0.3 . 1 . . . . . 119 GLY CA . 51824 1 475 . 1 . 1 119 119 GLY N N 15 107.749 0.3 . 1 . . . . . 119 GLY N . 51824 1 476 . 1 . 1 120 120 ASN H H 1 7.964 0.020 . 1 . . . . . 120 ASN H . 51824 1 477 . 1 . 1 120 120 ASN C C 13 175.258 0.3 . 1 . . . . . 120 ASN C . 51824 1 478 . 1 . 1 120 120 ASN CA C 13 52.507 0.3 . 1 . . . . . 120 ASN CA . 51824 1 479 . 1 . 1 120 120 ASN CB C 13 39.449 0.3 . 1 . . . . . 120 ASN CB . 51824 1 480 . 1 . 1 120 120 ASN N N 15 121.121 0.3 . 1 . . . . . 120 ASN N . 51824 1 481 . 1 . 1 121 121 ALA H H 1 8.055 0.020 . 1 . . . . . 121 ALA H . 51824 1 482 . 1 . 1 121 121 ALA C C 13 176.067 0.3 . 1 . . . . . 121 ALA C . 51824 1 483 . 1 . 1 121 121 ALA CA C 13 55.562 0.3 . 1 . . . . . 121 ALA CA . 51824 1 484 . 1 . 1 121 121 ALA N N 15 118.620 0.3 . 1 . . . . . 121 ALA N . 51824 1 stop_ save_