data_51052 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51052 _Entry.Title ; Assignment of nsp3a-nucleoprotein complex of SARS-CoV-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-10 _Entry.Accession_date 2021-08-10 _Entry.Last_release_date 2021-08-10 _Entry.Original_release_date 2021-08-10 _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 'Backbone and side-chain chemical shift assignments of SARS-CoV-2 Nsp3 (16-111) and Nucleoprotein (191-263) in complex' _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 Luiza 'Mamigonian Bessa' . . . 0000-0002-1993-3105 51052 2 Aldo 'Camacho Zarco' . . . 0000-0002-0186-8544 51052 3 Serafima Guseva . . . 0000-0001-9706-5035 51052 4 Nicola Salvi . . . 0000-0003-1515-6908 51052 5 Martin Blackledge . . . . 51052 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Biologie Structurale' . 51052 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 51052 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 51052 '15N chemical shifts' 156 51052 '1H chemical shifts' 593 51052 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 . . 2022-01-20 . original BMRB . 51052 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51052 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35044811 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The intrinsically disordered SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 8 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _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 eabm4034 _Citation.Page_last eabm4034 _Citation.Year 2022 _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 'Luiza Mamigonian' Bessa L. M. . . 51052 1 2 Serafima Guseva S. . . . 51052 1 3 Aldo Camacho-Zarco A. R. . . 51052 1 4 Nicola Salvi N. . . . 51052 1 5 Damien Maurin D. . . . 51052 1 6 'Laura Marino' Perez L. M. . . 51052 1 7 Maiia Botova M. . . . 51052 1 8 Anas Malki A. . . . 51052 1 9 Max Nanao M. . . . 51052 1 10 'Malene Ringkjobing' Jensen M. R. . . 51052 1 11 Rob Ruigrok . . . . 51052 1 12 Martin Blackledge M. . . . 51052 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51052 _Assembly.ID 1 _Assembly.Name 'SARS-CoV-2 Nucleoprotein and Nsp3 Ubl1 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _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 'SARS-CoV-2 Nsp3, 16-111' 1 $entity_1 . . yes native no no . . . 51052 1 2 'SARS-CoV-2 Nsp3, 1-111' 2 $entity_2 . . no native no no . . . 51052 1 3 'SARS-CoV-2 Nucleoprotein, 191-263' 3 $entity_3 . . yes native no no . . . 51052 1 4 'SARS-CoV-2 Nucleoprotein, 191-263 S235F' 4 $entity_4 . . no native no no . . . 51052 1 5 'SARS-CoV-2 Nucleoprotein, 175-263' 5 $entity_5 . . no native no no . . . 51052 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 51052 1 2 3 4 'Extremely slow exchange' 51052 1 3 1 5 'Extremely slow exchange' 51052 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51052 _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 ; GRRQGYKSVNITFELDERID KVLNEKCSAYTVELGTEVNE FACVVADAVIKTLQPVSELL TPLGIDLDEWSMATYYLFDE SGEFKLASHMYCSFYPPDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Represents residues 16-111 of SARS-CoV-2 Nsp3 with non-native GRR- N-terminal extension.' _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Ubiquitin-like domain 1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11255.68 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI P0C6X7 . 'Replicase polyprotein 1ab' . . . . . . . . . . . . . . 51052 1 stop_ 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 13 GLY . 51052 1 2 14 ARG . 51052 1 3 15 ARG . 51052 1 4 16 GLN . 51052 1 5 17 GLY . 51052 1 6 18 TYR . 51052 1 7 19 LYS . 51052 1 8 20 SER . 51052 1 9 21 VAL . 51052 1 10 22 ASN . 51052 1 11 23 ILE . 51052 1 12 24 THR . 51052 1 13 25 PHE . 51052 1 14 26 GLU . 51052 1 15 27 LEU . 51052 1 16 28 ASP . 51052 1 17 29 GLU . 51052 1 18 30 ARG . 51052 1 19 31 ILE . 51052 1 20 32 ASP . 51052 1 21 33 LYS . 51052 1 22 34 VAL . 51052 1 23 35 LEU . 51052 1 24 36 ASN . 51052 1 25 37 GLU . 51052 1 26 38 LYS . 51052 1 27 39 CYS . 51052 1 28 40 SER . 51052 1 29 41 ALA . 51052 1 30 42 TYR . 51052 1 31 43 THR . 51052 1 32 44 VAL . 51052 1 33 45 GLU . 51052 1 34 46 LEU . 51052 1 35 47 GLY . 51052 1 36 48 THR . 51052 1 37 49 GLU . 51052 1 38 50 VAL . 51052 1 39 51 ASN . 51052 1 40 52 GLU . 51052 1 41 53 PHE . 51052 1 42 54 ALA . 51052 1 43 55 CYS . 51052 1 44 56 VAL . 51052 1 45 57 VAL . 51052 1 46 58 ALA . 51052 1 47 59 ASP . 51052 1 48 60 ALA . 51052 1 49 61 VAL . 51052 1 50 62 ILE . 51052 1 51 63 LYS . 51052 1 52 64 THR . 51052 1 53 65 LEU . 51052 1 54 66 GLN . 51052 1 55 67 PRO . 51052 1 56 68 VAL . 51052 1 57 69 SER . 51052 1 58 70 GLU . 51052 1 59 71 LEU . 51052 1 60 72 LEU . 51052 1 61 73 THR . 51052 1 62 74 PRO . 51052 1 63 75 LEU . 51052 1 64 76 GLY . 51052 1 65 77 ILE . 51052 1 66 78 ASP . 51052 1 67 79 LEU . 51052 1 68 80 ASP . 51052 1 69 81 GLU . 51052 1 70 82 TRP . 51052 1 71 83 SER . 51052 1 72 84 MET . 51052 1 73 85 ALA . 51052 1 74 86 THR . 51052 1 75 87 TYR . 51052 1 76 88 TYR . 51052 1 77 89 LEU . 51052 1 78 90 PHE . 51052 1 79 91 ASP . 51052 1 80 92 GLU . 51052 1 81 93 SER . 51052 1 82 94 GLY . 51052 1 83 95 GLU . 51052 1 84 96 PHE . 51052 1 85 97 LYS . 51052 1 86 98 LEU . 51052 1 87 99 ALA . 51052 1 88 100 SER . 51052 1 89 101 HIS . 51052 1 90 102 MET . 51052 1 91 103 TYR . 51052 1 92 104 CYS . 51052 1 93 105 SER . 51052 1 94 106 PHE . 51052 1 95 107 TYR . 51052 1 96 108 PRO . 51052 1 97 109 PRO . 51052 1 98 110 ASP . 51052 1 99 111 GLU . 51052 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 . GLY 1 1 51052 1 . ARG 2 2 51052 1 . ARG 3 3 51052 1 . GLN 4 4 51052 1 . GLY 5 5 51052 1 . TYR 6 6 51052 1 . LYS 7 7 51052 1 . SER 8 8 51052 1 . VAL 9 9 51052 1 . ASN 10 10 51052 1 . ILE 11 11 51052 1 . THR 12 12 51052 1 . PHE 13 13 51052 1 . GLU 14 14 51052 1 . LEU 15 15 51052 1 . ASP 16 16 51052 1 . GLU 17 17 51052 1 . ARG 18 18 51052 1 . ILE 19 19 51052 1 . ASP 20 20 51052 1 . LYS 21 21 51052 1 . VAL 22 22 51052 1 . LEU 23 23 51052 1 . ASN 24 24 51052 1 . GLU 25 25 51052 1 . LYS 26 26 51052 1 . CYS 27 27 51052 1 . SER 28 28 51052 1 . ALA 29 29 51052 1 . TYR 30 30 51052 1 . THR 31 31 51052 1 . VAL 32 32 51052 1 . GLU 33 33 51052 1 . LEU 34 34 51052 1 . GLY 35 35 51052 1 . THR 36 36 51052 1 . GLU 37 37 51052 1 . VAL 38 38 51052 1 . ASN 39 39 51052 1 . GLU 40 40 51052 1 . PHE 41 41 51052 1 . ALA 42 42 51052 1 . CYS 43 43 51052 1 . VAL 44 44 51052 1 . VAL 45 45 51052 1 . ALA 46 46 51052 1 . ASP 47 47 51052 1 . ALA 48 48 51052 1 . VAL 49 49 51052 1 . ILE 50 50 51052 1 . LYS 51 51 51052 1 . THR 52 52 51052 1 . LEU 53 53 51052 1 . GLN 54 54 51052 1 . PRO 55 55 51052 1 . VAL 56 56 51052 1 . SER 57 57 51052 1 . GLU 58 58 51052 1 . LEU 59 59 51052 1 . LEU 60 60 51052 1 . THR 61 61 51052 1 . PRO 62 62 51052 1 . LEU 63 63 51052 1 . GLY 64 64 51052 1 . ILE 65 65 51052 1 . ASP 66 66 51052 1 . LEU 67 67 51052 1 . ASP 68 68 51052 1 . GLU 69 69 51052 1 . TRP 70 70 51052 1 . SER 71 71 51052 1 . MET 72 72 51052 1 . ALA 73 73 51052 1 . THR 74 74 51052 1 . TYR 75 75 51052 1 . TYR 76 76 51052 1 . LEU 77 77 51052 1 . PHE 78 78 51052 1 . ASP 79 79 51052 1 . GLU 80 80 51052 1 . SER 81 81 51052 1 . GLY 82 82 51052 1 . GLU 83 83 51052 1 . PHE 84 84 51052 1 . LYS 85 85 51052 1 . LEU 86 86 51052 1 . ALA 87 87 51052 1 . SER 88 88 51052 1 . HIS 89 89 51052 1 . MET 90 90 51052 1 . TYR 91 91 51052 1 . CYS 92 92 51052 1 . SER 93 93 51052 1 . PHE 94 94 51052 1 . TYR 95 95 51052 1 . PRO 96 96 51052 1 . PRO 97 97 51052 1 . ASP 98 98 51052 1 . GLU 99 99 51052 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51052 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GAMAPTKVTFGDDTVIEVQG YKSVNITFELDERIDKVLNE KCSAYTVELGTEVNEFACVV ADAVIKTLQPVSELLTPLGI DLDEWSMATYYLFDESGEFK LASHMYCSFYPPDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Represents residues 1-111 of SARS-CoV-2 Nsp3 with non-native GAM- N-terminal extension' _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'Ubiquitin-like domain 1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12719.34 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI P0C6X7 . 'Replicase polyprotein 1ab' . . . . . . . . . . . . . . 51052 2 stop_ 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 . GLY . 51052 2 2 . ALA . 51052 2 3 . MET . 51052 2 4 . ALA . 51052 2 5 . PRO . 51052 2 6 . THR . 51052 2 7 . LYS . 51052 2 8 . VAL . 51052 2 9 . THR . 51052 2 10 . PHE . 51052 2 11 . GLY . 51052 2 12 . ASP . 51052 2 13 . ASP . 51052 2 14 . THR . 51052 2 15 . VAL . 51052 2 16 . ILE . 51052 2 17 . GLU . 51052 2 18 . VAL . 51052 2 19 . GLN . 51052 2 20 . GLY . 51052 2 21 . TYR . 51052 2 22 . LYS . 51052 2 23 . SER . 51052 2 24 . VAL . 51052 2 25 . ASN . 51052 2 26 . ILE . 51052 2 27 . THR . 51052 2 28 . PHE . 51052 2 29 . GLU . 51052 2 30 . LEU . 51052 2 31 . ASP . 51052 2 32 . GLU . 51052 2 33 . ARG . 51052 2 34 . ILE . 51052 2 35 . ASP . 51052 2 36 . LYS . 51052 2 37 . VAL . 51052 2 38 . LEU . 51052 2 39 . ASN . 51052 2 40 . GLU . 51052 2 41 . LYS . 51052 2 42 . CYS . 51052 2 43 . SER . 51052 2 44 . ALA . 51052 2 45 . TYR . 51052 2 46 . THR . 51052 2 47 . VAL . 51052 2 48 . GLU . 51052 2 49 . LEU . 51052 2 50 . GLY . 51052 2 51 . THR . 51052 2 52 . GLU . 51052 2 53 . VAL . 51052 2 54 . ASN . 51052 2 55 . GLU . 51052 2 56 . PHE . 51052 2 57 . ALA . 51052 2 58 . CYS . 51052 2 59 . VAL . 51052 2 60 . VAL . 51052 2 61 . ALA . 51052 2 62 . ASP . 51052 2 63 . ALA . 51052 2 64 . VAL . 51052 2 65 . ILE . 51052 2 66 . LYS . 51052 2 67 . THR . 51052 2 68 . LEU . 51052 2 69 . GLN . 51052 2 70 . PRO . 51052 2 71 . VAL . 51052 2 72 . SER . 51052 2 73 . GLU . 51052 2 74 . LEU . 51052 2 75 . LEU . 51052 2 76 . THR . 51052 2 77 . PRO . 51052 2 78 . LEU . 51052 2 79 . GLY . 51052 2 80 . ILE . 51052 2 81 . ASP . 51052 2 82 . LEU . 51052 2 83 . ASP . 51052 2 84 . GLU . 51052 2 85 . TRP . 51052 2 86 . SER . 51052 2 87 . MET . 51052 2 88 . ALA . 51052 2 89 . THR . 51052 2 90 . TYR . 51052 2 91 . TYR . 51052 2 92 . LEU . 51052 2 93 . PHE . 51052 2 94 . ASP . 51052 2 95 . GLU . 51052 2 96 . SER . 51052 2 97 . GLY . 51052 2 98 . GLU . 51052 2 99 . PHE . 51052 2 100 . LYS . 51052 2 101 . LEU . 51052 2 102 . ALA . 51052 2 103 . SER . 51052 2 104 . HIS . 51052 2 105 . MET . 51052 2 106 . TYR . 51052 2 107 . CYS . 51052 2 108 . SER . 51052 2 109 . PHE . 51052 2 110 . TYR . 51052 2 111 . PRO . 51052 2 112 . PRO . 51052 2 113 . ASP . 51052 2 114 . GLU . 51052 2 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 . GLY 1 1 51052 2 . ALA 2 2 51052 2 . MET 3 3 51052 2 . ALA 4 4 51052 2 . PRO 5 5 51052 2 . THR 6 6 51052 2 . LYS 7 7 51052 2 . VAL 8 8 51052 2 . THR 9 9 51052 2 . PHE 10 10 51052 2 . GLY 11 11 51052 2 . ASP 12 12 51052 2 . ASP 13 13 51052 2 . THR 14 14 51052 2 . VAL 15 15 51052 2 . ILE 16 16 51052 2 . GLU 17 17 51052 2 . VAL 18 18 51052 2 . GLN 19 19 51052 2 . GLY 20 20 51052 2 . TYR 21 21 51052 2 . LYS 22 22 51052 2 . SER 23 23 51052 2 . VAL 24 24 51052 2 . ASN 25 25 51052 2 . ILE 26 26 51052 2 . THR 27 27 51052 2 . PHE 28 28 51052 2 . GLU 29 29 51052 2 . LEU 30 30 51052 2 . ASP 31 31 51052 2 . GLU 32 32 51052 2 . ARG 33 33 51052 2 . ILE 34 34 51052 2 . ASP 35 35 51052 2 . LYS 36 36 51052 2 . VAL 37 37 51052 2 . LEU 38 38 51052 2 . ASN 39 39 51052 2 . GLU 40 40 51052 2 . LYS 41 41 51052 2 . CYS 42 42 51052 2 . SER 43 43 51052 2 . ALA 44 44 51052 2 . TYR 45 45 51052 2 . THR 46 46 51052 2 . VAL 47 47 51052 2 . GLU 48 48 51052 2 . LEU 49 49 51052 2 . GLY 50 50 51052 2 . THR 51 51 51052 2 . GLU 52 52 51052 2 . VAL 53 53 51052 2 . ASN 54 54 51052 2 . GLU 55 55 51052 2 . PHE 56 56 51052 2 . ALA 57 57 51052 2 . CYS 58 58 51052 2 . VAL 59 59 51052 2 . VAL 60 60 51052 2 . ALA 61 61 51052 2 . ASP 62 62 51052 2 . ALA 63 63 51052 2 . VAL 64 64 51052 2 . ILE 65 65 51052 2 . LYS 66 66 51052 2 . THR 67 67 51052 2 . LEU 68 68 51052 2 . GLN 69 69 51052 2 . PRO 70 70 51052 2 . VAL 71 71 51052 2 . SER 72 72 51052 2 . GLU 73 73 51052 2 . LEU 74 74 51052 2 . LEU 75 75 51052 2 . THR 76 76 51052 2 . PRO 77 77 51052 2 . LEU 78 78 51052 2 . GLY 79 79 51052 2 . ILE 80 80 51052 2 . ASP 81 81 51052 2 . LEU 82 82 51052 2 . ASP 83 83 51052 2 . GLU 84 84 51052 2 . TRP 85 85 51052 2 . SER 86 86 51052 2 . MET 87 87 51052 2 . ALA 88 88 51052 2 . THR 89 89 51052 2 . TYR 90 90 51052 2 . TYR 91 91 51052 2 . LEU 92 92 51052 2 . PHE 93 93 51052 2 . ASP 94 94 51052 2 . GLU 95 95 51052 2 . SER 96 96 51052 2 . GLY 97 97 51052 2 . GLU 98 98 51052 2 . PHE 99 99 51052 2 . LYS 100 100 51052 2 . LEU 101 101 51052 2 . ALA 102 102 51052 2 . SER 103 103 51052 2 . HIS 104 104 51052 2 . MET 105 105 51052 2 . TYR 106 106 51052 2 . CYS 107 107 51052 2 . SER 108 108 51052 2 . PHE 109 109 51052 2 . TYR 110 110 51052 2 . PRO 111 111 51052 2 . PRO 112 112 51052 2 . ASP 113 113 51052 2 . GLU 114 114 51052 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51052 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _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 ; GRRRNSSRNSTPGSSRGTSP ARMAGNGGDAALALLLLDRL NQLESKMSGKGQQQQGQTVT KKSAAEASKKPRQKRT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Represents residues 191-263 of SARS-CoV-2 Nucleoprotein with non-native GRR- N-terminal extension.' _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment 'Nucleoprotein central IDR' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8066 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI P0DTC9 . Nucleoprotein . . . . . . . . . . . . . . 51052 3 stop_ 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 1 188 GLY . 51052 3 2 189 ARG . 51052 3 3 190 ARG . 51052 3 4 191 ARG . 51052 3 5 192 ASN . 51052 3 6 193 SER . 51052 3 7 194 SER . 51052 3 8 195 ARG . 51052 3 9 196 ASN . 51052 3 10 197 SER . 51052 3 11 198 THR . 51052 3 12 199 PRO . 51052 3 13 200 GLY . 51052 3 14 201 SER . 51052 3 15 202 SER . 51052 3 16 203 ARG . 51052 3 17 204 GLY . 51052 3 18 205 THR . 51052 3 19 206 SER . 51052 3 20 207 PRO . 51052 3 21 208 ALA . 51052 3 22 209 ARG . 51052 3 23 210 MET . 51052 3 24 211 ALA . 51052 3 25 212 GLY . 51052 3 26 213 ASN . 51052 3 27 214 GLY . 51052 3 28 215 GLY . 51052 3 29 216 ASP . 51052 3 30 217 ALA . 51052 3 31 218 ALA . 51052 3 32 219 LEU . 51052 3 33 220 ALA . 51052 3 34 221 LEU . 51052 3 35 222 LEU . 51052 3 36 223 LEU . 51052 3 37 224 LEU . 51052 3 38 225 ASP . 51052 3 39 226 ARG . 51052 3 40 227 LEU . 51052 3 41 228 ASN . 51052 3 42 229 GLN . 51052 3 43 230 LEU . 51052 3 44 231 GLU . 51052 3 45 232 SER . 51052 3 46 233 LYS . 51052 3 47 234 MET . 51052 3 48 235 SER . 51052 3 49 236 GLY . 51052 3 50 237 LYS . 51052 3 51 238 GLY . 51052 3 52 239 GLN . 51052 3 53 240 GLN . 51052 3 54 241 GLN . 51052 3 55 242 GLN . 51052 3 56 243 GLY . 51052 3 57 244 GLN . 51052 3 58 245 THR . 51052 3 59 246 VAL . 51052 3 60 247 THR . 51052 3 61 248 LYS . 51052 3 62 249 LYS . 51052 3 63 250 SER . 51052 3 64 251 ALA . 51052 3 65 252 ALA . 51052 3 66 253 GLU . 51052 3 67 254 ALA . 51052 3 68 255 SER . 51052 3 69 256 LYS . 51052 3 70 257 LYS . 51052 3 71 258 PRO . 51052 3 72 259 ARG . 51052 3 73 260 GLN . 51052 3 74 261 LYS . 51052 3 75 262 ARG . 51052 3 76 263 THR . 51052 3 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 . GLY 1 1 51052 3 . ARG 2 2 51052 3 . ARG 3 3 51052 3 . ARG 4 4 51052 3 . ASN 5 5 51052 3 . SER 6 6 51052 3 . SER 7 7 51052 3 . ARG 8 8 51052 3 . ASN 9 9 51052 3 . SER 10 10 51052 3 . THR 11 11 51052 3 . PRO 12 12 51052 3 . GLY 13 13 51052 3 . SER 14 14 51052 3 . SER 15 15 51052 3 . ARG 16 16 51052 3 . GLY 17 17 51052 3 . THR 18 18 51052 3 . SER 19 19 51052 3 . PRO 20 20 51052 3 . ALA 21 21 51052 3 . ARG 22 22 51052 3 . MET 23 23 51052 3 . ALA 24 24 51052 3 . GLY 25 25 51052 3 . ASN 26 26 51052 3 . GLY 27 27 51052 3 . GLY 28 28 51052 3 . ASP 29 29 51052 3 . ALA 30 30 51052 3 . ALA 31 31 51052 3 . LEU 32 32 51052 3 . ALA 33 33 51052 3 . LEU 34 34 51052 3 . LEU 35 35 51052 3 . LEU 36 36 51052 3 . LEU 37 37 51052 3 . ASP 38 38 51052 3 . ARG 39 39 51052 3 . LEU 40 40 51052 3 . ASN 41 41 51052 3 . GLN 42 42 51052 3 . LEU 43 43 51052 3 . GLU 44 44 51052 3 . SER 45 45 51052 3 . LYS 46 46 51052 3 . MET 47 47 51052 3 . SER 48 48 51052 3 . GLY 49 49 51052 3 . LYS 50 50 51052 3 . GLY 51 51 51052 3 . GLN 52 52 51052 3 . GLN 53 53 51052 3 . GLN 54 54 51052 3 . GLN 55 55 51052 3 . GLY 56 56 51052 3 . GLN 57 57 51052 3 . THR 58 58 51052 3 . VAL 59 59 51052 3 . THR 60 60 51052 3 . LYS 61 61 51052 3 . LYS 62 62 51052 3 . SER 63 63 51052 3 . ALA 64 64 51052 3 . ALA 65 65 51052 3 . GLU 66 66 51052 3 . ALA 67 67 51052 3 . SER 68 68 51052 3 . LYS 69 69 51052 3 . LYS 70 70 51052 3 . PRO 71 71 51052 3 . ARG 72 72 51052 3 . GLN 73 73 51052 3 . LYS 74 74 51052 3 . ARG 75 75 51052 3 . THR 76 76 51052 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 51052 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _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 ; GRRRNSSRNSTPGSSRGTSP ARMAGNGGDAALALLLLDRL NQLESKMFGKGQQQQGQTVT KKSAAEASKKPRQKRT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Represents residues 191-263 of SARS-CoV-2 Nucleoprotein with non-native GRR- N-terminal extension. Contains S235F mutation present in the alpha variant of SARS-CoV-2 ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment 'Nucleoprotein central IDR' _Entity.Mutation S235F _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8126 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI P0DTC9 . Nucleoprotein . . . . . . . . . . . . . . 51052 4 stop_ 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 . GLY . 51052 4 2 . ARG . 51052 4 3 . ARG . 51052 4 4 . ARG . 51052 4 5 . ASN . 51052 4 6 . SER . 51052 4 7 . SER . 51052 4 8 . ARG . 51052 4 9 . ASN . 51052 4 10 . SER . 51052 4 11 . THR . 51052 4 12 . PRO . 51052 4 13 . GLY . 51052 4 14 . SER . 51052 4 15 . SER . 51052 4 16 . ARG . 51052 4 17 . GLY . 51052 4 18 . THR . 51052 4 19 . SER . 51052 4 20 . PRO . 51052 4 21 . ALA . 51052 4 22 . ARG . 51052 4 23 . MET . 51052 4 24 . ALA . 51052 4 25 . GLY . 51052 4 26 . ASN . 51052 4 27 . GLY . 51052 4 28 . GLY . 51052 4 29 . ASP . 51052 4 30 . ALA . 51052 4 31 . ALA . 51052 4 32 . LEU . 51052 4 33 . ALA . 51052 4 34 . LEU . 51052 4 35 . LEU . 51052 4 36 . LEU . 51052 4 37 . LEU . 51052 4 38 . ASP . 51052 4 39 . ARG . 51052 4 40 . LEU . 51052 4 41 . ASN . 51052 4 42 . GLN . 51052 4 43 . LEU . 51052 4 44 . GLU . 51052 4 45 . SER . 51052 4 46 . LYS . 51052 4 47 . MET . 51052 4 48 . PHE . 51052 4 49 . GLY . 51052 4 50 . LYS . 51052 4 51 . GLY . 51052 4 52 . GLN . 51052 4 53 . GLN . 51052 4 54 . GLN . 51052 4 55 . GLN . 51052 4 56 . GLY . 51052 4 57 . GLN . 51052 4 58 . THR . 51052 4 59 . VAL . 51052 4 60 . THR . 51052 4 61 . LYS . 51052 4 62 . LYS . 51052 4 63 . SER . 51052 4 64 . ALA . 51052 4 65 . ALA . 51052 4 66 . GLU . 51052 4 67 . ALA . 51052 4 68 . SER . 51052 4 69 . LYS . 51052 4 70 . LYS . 51052 4 71 . PRO . 51052 4 72 . ARG . 51052 4 73 . GLN . 51052 4 74 . LYS . 51052 4 75 . ARG . 51052 4 76 . THR . 51052 4 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 . GLY 1 1 51052 4 . ARG 2 2 51052 4 . ARG 3 3 51052 4 . ARG 4 4 51052 4 . ASN 5 5 51052 4 . SER 6 6 51052 4 . SER 7 7 51052 4 . ARG 8 8 51052 4 . ASN 9 9 51052 4 . SER 10 10 51052 4 . THR 11 11 51052 4 . PRO 12 12 51052 4 . GLY 13 13 51052 4 . SER 14 14 51052 4 . SER 15 15 51052 4 . ARG 16 16 51052 4 . GLY 17 17 51052 4 . THR 18 18 51052 4 . SER 19 19 51052 4 . PRO 20 20 51052 4 . ALA 21 21 51052 4 . ARG 22 22 51052 4 . MET 23 23 51052 4 . ALA 24 24 51052 4 . GLY 25 25 51052 4 . ASN 26 26 51052 4 . GLY 27 27 51052 4 . GLY 28 28 51052 4 . ASP 29 29 51052 4 . ALA 30 30 51052 4 . ALA 31 31 51052 4 . LEU 32 32 51052 4 . ALA 33 33 51052 4 . LEU 34 34 51052 4 . LEU 35 35 51052 4 . LEU 36 36 51052 4 . LEU 37 37 51052 4 . ASP 38 38 51052 4 . ARG 39 39 51052 4 . LEU 40 40 51052 4 . ASN 41 41 51052 4 . GLN 42 42 51052 4 . LEU 43 43 51052 4 . GLU 44 44 51052 4 . SER 45 45 51052 4 . LYS 46 46 51052 4 . MET 47 47 51052 4 . PHE 48 48 51052 4 . GLY 49 49 51052 4 . LYS 50 50 51052 4 . GLY 51 51 51052 4 . GLN 52 52 51052 4 . GLN 53 53 51052 4 . GLN 54 54 51052 4 . GLN 55 55 51052 4 . GLY 56 56 51052 4 . GLN 57 57 51052 4 . THR 58 58 51052 4 . VAL 59 59 51052 4 . THR 60 60 51052 4 . LYS 61 61 51052 4 . LYS 62 62 51052 4 . SER 63 63 51052 4 . ALA 64 64 51052 4 . ALA 65 65 51052 4 . GLU 66 66 51052 4 . ALA 67 67 51052 4 . SER 68 68 51052 4 . LYS 69 69 51052 4 . LYS 70 70 51052 4 . PRO 71 71 51052 4 . ARG 72 72 51052 4 . GLN 73 73 51052 4 . LYS 74 74 51052 4 . ARG 75 75 51052 4 . THR 76 76 51052 4 stop_ save_ save_entity_5 _Entity.Sf_category entity _Entity.Sf_framecode entity_5 _Entity.Entry_ID 51052 _Entity.ID 5 _Entity.BMRB_code . _Entity.Name entity_5 _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 ; GRRGSRGGSQASSRSSSRSR NSSRNSTPGSSRGTSPARMA GNGGDAALALLLLDRLNQLE SKMSGKGQQQQGQTVTKKSA AEASKKPRQKRT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Represents residues 175-263 of SARS-CoV-2 Nucleoprotein with non-native GRR- N-terminal extension.' _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 5 _Entity.Fragment 'Nucleoprotein central IDR' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9601.60 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI P0DTC9 . Nucleoprotein . . . . . . . . . . . . . . 51052 5 stop_ 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 . GLY . 51052 5 2 . ARG . 51052 5 3 . ARG . 51052 5 4 . GLY . 51052 5 5 . SER . 51052 5 6 . ARG . 51052 5 7 . GLY . 51052 5 8 . GLY . 51052 5 9 . SER . 51052 5 10 . GLN . 51052 5 11 . ALA . 51052 5 12 . SER . 51052 5 13 . SER . 51052 5 14 . ARG . 51052 5 15 . SER . 51052 5 16 . SER . 51052 5 17 . SER . 51052 5 18 . ARG . 51052 5 19 . SER . 51052 5 20 . ARG . 51052 5 21 . ASN . 51052 5 22 . SER . 51052 5 23 . SER . 51052 5 24 . ARG . 51052 5 25 . ASN . 51052 5 26 . SER . 51052 5 27 . THR . 51052 5 28 . PRO . 51052 5 29 . GLY . 51052 5 30 . SER . 51052 5 31 . SER . 51052 5 32 . ARG . 51052 5 33 . GLY . 51052 5 34 . THR . 51052 5 35 . SER . 51052 5 36 . PRO . 51052 5 37 . ALA . 51052 5 38 . ARG . 51052 5 39 . MET . 51052 5 40 . ALA . 51052 5 41 . GLY . 51052 5 42 . ASN . 51052 5 43 . GLY . 51052 5 44 . GLY . 51052 5 45 . ASP . 51052 5 46 . ALA . 51052 5 47 . ALA . 51052 5 48 . LEU . 51052 5 49 . ALA . 51052 5 50 . LEU . 51052 5 51 . LEU . 51052 5 52 . LEU . 51052 5 53 . LEU . 51052 5 54 . ASP . 51052 5 55 . ARG . 51052 5 56 . LEU . 51052 5 57 . ASN . 51052 5 58 . GLN . 51052 5 59 . LEU . 51052 5 60 . GLU . 51052 5 61 . SER . 51052 5 62 . LYS . 51052 5 63 . MET . 51052 5 64 . SER . 51052 5 65 . GLY . 51052 5 66 . LYS . 51052 5 67 . GLY . 51052 5 68 . GLN . 51052 5 69 . GLN . 51052 5 70 . GLN . 51052 5 71 . GLN . 51052 5 72 . GLY . 51052 5 73 . GLN . 51052 5 74 . THR . 51052 5 75 . VAL . 51052 5 76 . THR . 51052 5 77 . LYS . 51052 5 78 . LYS . 51052 5 79 . SER . 51052 5 80 . ALA . 51052 5 81 . ALA . 51052 5 82 . GLU . 51052 5 83 . ALA . 51052 5 84 . SER . 51052 5 85 . LYS . 51052 5 86 . LYS . 51052 5 87 . PRO . 51052 5 88 . ARG . 51052 5 89 . GLN . 51052 5 90 . LYS . 51052 5 91 . ARG . 51052 5 92 . THR . 51052 5 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 . GLY 1 1 51052 5 . ARG 2 2 51052 5 . ARG 3 3 51052 5 . GLY 4 4 51052 5 . SER 5 5 51052 5 . ARG 6 6 51052 5 . GLY 7 7 51052 5 . GLY 8 8 51052 5 . SER 9 9 51052 5 . GLN 10 10 51052 5 . ALA 11 11 51052 5 . SER 12 12 51052 5 . SER 13 13 51052 5 . ARG 14 14 51052 5 . SER 15 15 51052 5 . SER 16 16 51052 5 . SER 17 17 51052 5 . ARG 18 18 51052 5 . SER 19 19 51052 5 . ARG 20 20 51052 5 . ASN 21 21 51052 5 . SER 22 22 51052 5 . SER 23 23 51052 5 . ARG 24 24 51052 5 . ASN 25 25 51052 5 . SER 26 26 51052 5 . THR 27 27 51052 5 . PRO 28 28 51052 5 . GLY 29 29 51052 5 . SER 30 30 51052 5 . SER 31 31 51052 5 . ARG 32 32 51052 5 . GLY 33 33 51052 5 . THR 34 34 51052 5 . SER 35 35 51052 5 . PRO 36 36 51052 5 . ALA 37 37 51052 5 . ARG 38 38 51052 5 . MET 39 39 51052 5 . ALA 40 40 51052 5 . GLY 41 41 51052 5 . ASN 42 42 51052 5 . GLY 43 43 51052 5 . GLY 44 44 51052 5 . ASP 45 45 51052 5 . ALA 46 46 51052 5 . ALA 47 47 51052 5 . LEU 48 48 51052 5 . ALA 49 49 51052 5 . LEU 50 50 51052 5 . LEU 51 51 51052 5 . LEU 52 52 51052 5 . LEU 53 53 51052 5 . ASP 54 54 51052 5 . ARG 55 55 51052 5 . LEU 56 56 51052 5 . ASN 57 57 51052 5 . GLN 58 58 51052 5 . LEU 59 59 51052 5 . GLU 60 60 51052 5 . SER 61 61 51052 5 . LYS 62 62 51052 5 . MET 63 63 51052 5 . SER 64 64 51052 5 . GLY 65 65 51052 5 . LYS 66 66 51052 5 . GLY 67 67 51052 5 . GLN 68 68 51052 5 . GLN 69 69 51052 5 . GLN 70 70 51052 5 . GLN 71 71 51052 5 . GLY 72 72 51052 5 . GLN 73 73 51052 5 . THR 74 74 51052 5 . VAL 75 75 51052 5 . THR 76 76 51052 5 . LYS 77 77 51052 5 . LYS 78 78 51052 5 . SER 79 79 51052 5 . ALA 80 80 51052 5 . ALA 81 81 51052 5 . GLU 82 82 51052 5 . ALA 83 83 51052 5 . SER 84 84 51052 5 . LYS 85 85 51052 5 . LYS 86 86 51052 5 . PRO 87 87 51052 5 . ARG 88 88 51052 5 . GLN 89 89 51052 5 . LYS 90 90 51052 5 . ARG 91 91 51052 5 . THR 92 92 51052 5 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 51052 _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 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . rep1ab 'protein nsp3 Ubl1' 51052 1 2 2 $entity_2 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . N . 51052 1 3 3 $entity_3 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . rep1ab 'protein nsp3 Ubl1' 51052 1 4 4 $entity_4 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . N . 51052 1 5 5 $entity_5 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 alpha . . . . . . . . . N . 51052 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 51052 _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 . . pESPRIT . . . 51052 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pESPRIT . . . 51052 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET21b(+) . . . 51052 1 4 4 $entity_4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pESPRIT . . . 51052 1 5 5 $entity_5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pESPRIT . . . 51052 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51052 _Sample.ID 1 _Sample.Name 'Ubl1 dnc + N3 1:2' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Nsp3 1-111 2H13C15N + N 175-263 1:2 ; _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 'SARS-CoV-2 Nsp3 1-111' '[U-13C; U-15N; U-2H]' . . 2 $entity_2 . . 320 . . uM . . . . 51052 1 2 'SARS-CoV-2 N 175-263' 'natural abundance' . . 5 $entity_5 . . 640 . . uM . . . . 51052 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51052 1 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 51052 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51052 1 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51052 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51052 _Sample.ID 2 _Sample.Name 'N3 dnc + Ubl1 1:2' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; N 175-263 2H13C15N + Nsp3 1-111 1:2 ; _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 'SARS-CoV-2 Nucleoprotein 175-263' '[U-13C; U-15N; U-2H]' . . 5 $entity_5 . . 600 . . uM . . . . 51052 2 2 'SARS-CoV-2 Nsp3 1-111' 'natural abundance' . . 2 $entity_2 . . 1200 . . uM . . . . 51052 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51052 2 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 51052 2 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51052 2 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51052 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51052 _Sample.ID 3 _Sample.Name 'sUbl1 CN + sN3 1:1 200uM' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Nsp3 16-111 13C15N + N 191-263 ; _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 'SARS-CoV-2 Nsp3 16-111' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 51052 3 2 'SARS-CoV-2 Nucleoprotein 191-263' 'natural abundance' . . 3 $entity_3 . . 200 . . uM . . . . 51052 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51052 3 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 51052 3 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51052 3 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51052 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 51052 _Sample.ID 4 _Sample.Name 'sUbl1 CN + sN3 1:1.1 500uM' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Nsp3 16-111 13C15N + N 191-263 ; _Sample.Aggregate_sample_number 3 _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 'SARS-CoV-2 Nsp3 16-111' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51052 4 2 'SARS-CoV-2 Nucleoprotein 191-263' 'natural abundance' . . 3 $entity_3 . . 550 . . uM . . . . 51052 4 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51052 4 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 51052 4 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51052 4 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51052 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 51052 _Sample.ID 5 _Sample.Name 'sN3 CN + sUbl1 1:1.1' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; N 191-263 13C15N + Nsp3 16-111 191-263 ; _Sample.Aggregate_sample_number 3 _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 'SARS-CoV-2 Nucleoprotein 191-263' '[U-99% 13C; U-99% 15N]' . . 3 $entity_3 . . 500 . . uM . . . . 51052 5 2 'SARS-CoV-2 Nsp3 16-111' 'natural abundance' . . 1 $entity_1 . . 550 . . uM . . . . 51052 5 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51052 5 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 51052 5 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51052 5 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51052 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 51052 _Sample.ID 6 _Sample.Name 'sN3 S235F CN + sUbl1 1:1.1' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; N 191-263 S235F 13C15N + Nsp3 16-111 191-263 ; _Sample.Aggregate_sample_number 2 _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 'SARS-CoV-2 Nucleoprotein 191-263 S235F' '[U-99% 13C; U-99% 15N]' . . 4 $entity_4 . . 500 . . uM . . . . 51052 6 2 'SARS-CoV-2 Nsp3 16-111' 'natural abundance' . . 1 $entity_1 . . 550 . . uM . . . . 51052 6 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51052 6 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 51052 6 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51052 6 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51052 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 51052 _Sample.ID 7 _Sample.Name 'sUbl1 + sN3 unlab' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Nsp3 16-111 13C15N + N 191-263 ; _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 'SARS-CoV-2 Nsp3 16-111' 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 51052 7 2 'SARS-CoV-2 Nucleoprotein 191-263' 'natural abundance' . . 3 $entity_3 . . 500 . . uM . . . . 51052 7 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51052 7 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 51052 7 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51052 7 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51052 7 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 51052 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'General conditions' _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 pH 6.5 . pH 51052 1 pressure 1 . atm 51052 1 temperature 298.13 . K 51052 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51052 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version '3.5 and 4.1' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51052 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51052 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.3 _Software.DOI . _Software.Details 'Sparky 3.12' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51052 2 'data analysis' . 51052 2 'peak picking' . 51052 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51052 _Software.ID 3 _Software.Type . _Software.Name 'CcpNMR Analysis' _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51052 3 'data analysis' . 51052 3 'peak picking' . 51052 3 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 51052 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 cryo' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51052 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 51052 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 850 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 51052 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name '950 old' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 51052 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name '950 new' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 51052 _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 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51052 1 2 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51052 1 3 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51052 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51052 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51052 1 6 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51052 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51052 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51052 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 51052 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 51052 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51052 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51052 1 13 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51052 1 14 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51052 1 15 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51052 1 16 '3D HN(CO)CACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51052 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51052 1 18 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51052 1 19 '3D HN(CA)CO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51052 1 20 '2D 1H-15N HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51052 1 21 '3D 1H-15N NOESY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51052 1 22 '3D HCCH-TOCSY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51052 1 23 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51052 1 24 '2D 1H-13C HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51052 1 25 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51052 1 26 '2D 1H-13C HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51052 1 27 '3D HNCA' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51052 1 28 '3D HN(CO)CA' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51052 1 29 '2D 1H-15N HSQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51052 1 30 '2D 1H-13C HSQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51052 1 31 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51052 1 32 '3D 1H-15N TOCSY-HSQC' no . . . . . . . . . . . . 6 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51052 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 51052 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name General _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 water protons . . . . ppm 4.774 internal indirect 0.251449530 . . . . . 51052 1 H 1 water protons . . . . ppm 4.774 internal indirect 0.101329118 . . . . . 51052 1 N 15 water protons . . . . ppm 4.774 internal direct 1 . . . . . 51052 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 51052 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Nsp3 16-111 complex' _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 . _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 '3D HNCA' . . . 51052 1 2 '3D HN(CO)CA' . . . 51052 1 3 '3D HN(CO)CACB' . . . 51052 1 4 '2D 1H-15N HSQC' . . . 51052 1 5 '2D 1H-15N HSQC' . . . 51052 1 6 '3D (H)CCH-TOCSY' . . . 51052 1 7 '2D 1H-15N HSQC' . . . 51052 1 8 '3D 1H-15N NOESY' . . . 51052 1 9 '3D 1H-13C NOESY aliphatic' . . . 51052 1 10 '2D 1H-13C HSQC' . . . 51052 1 11 '2D 1H-1H NOESY' . . . 51052 1 12 '2D 1H-15N HSQC' . . . 51052 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 . . 51052 1 2 $software_2 . . 51052 1 3 $software_3 . . 51052 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 4 4 GLN H H 1 8.630 0.001 . 1 . . . . . 16 GLN H . 51052 1 2 . 1 . 1 4 4 GLN HA H 1 4.325 0.003 . 1 . . . . . 16 GLN HA . 51052 1 3 . 1 . 1 4 4 GLN HB2 H 1 2.087 0.005 . 1 . . . . . 16 GLN HB2 . 51052 1 4 . 1 . 1 4 4 GLN HG3 H 1 2.430 0.003 . 1 . . . . . 16 GLN HG3 . 51052 1 5 . 1 . 1 4 4 GLN CA C 13 56.795 0.000 . 1 . . . . . 16 GLN CA . 51052 1 6 . 1 . 1 4 4 GLN CB C 13 29.328 0.021 . 1 . . . . . 16 GLN CB . 51052 1 7 . 1 . 1 4 4 GLN CG C 13 33.857 0.035 . 1 . . . . . 16 GLN CG . 51052 1 8 . 1 . 1 4 4 GLN N N 15 124.370 0.008 . 1 . . . . . 16 GLN N . 51052 1 9 . 1 . 1 5 5 GLY H H 1 8.872 0.002 . 1 . . . . . 17 GLY H . 51052 1 10 . 1 . 1 5 5 GLY HA2 H 1 3.845 0.003 . 1 . . . . . 17 GLY HA2 . 51052 1 11 . 1 . 1 5 5 GLY HA3 H 1 4.187 0.000 . 1 . . . . . 17 GLY HA3 . 51052 1 12 . 1 . 1 5 5 GLY CA C 13 45.391 0.037 . 1 . . . . . 17 GLY CA . 51052 1 13 . 1 . 1 5 5 GLY N N 15 111.003 0.018 . 1 . . . . . 17 GLY N . 51052 1 14 . 1 . 1 6 6 TYR H H 1 8.092 0.001 . 1 . . . . . 18 TYR H . 51052 1 15 . 1 . 1 6 6 TYR HA H 1 4.993 0.006 . 1 . . . . . 18 TYR HA . 51052 1 16 . 1 . 1 6 6 TYR HB2 H 1 2.747 0.009 . 1 . . . . . 18 TYR HB2 . 51052 1 17 . 1 . 1 6 6 TYR CA C 13 56.914 0.077 . 1 . . . . . 18 TYR CA . 51052 1 18 . 1 . 1 6 6 TYR CB C 13 42.475 0.013 . 1 . . . . . 18 TYR CB . 51052 1 19 . 1 . 1 6 6 TYR N N 15 119.236 0.006 . 1 . . . . . 18 TYR N . 51052 1 20 . 1 . 1 7 7 LYS H H 1 9.429 0.002 . 1 . . . . . 19 LYS H . 51052 1 21 . 1 . 1 7 7 LYS HA H 1 4.699 0.000 . 1 . . . . . 19 LYS HA . 51052 1 22 . 1 . 1 7 7 LYS HB2 H 1 1.573 0.006 . 1 . . . . . 19 LYS HB2 . 51052 1 23 . 1 . 1 7 7 LYS HB3 H 1 1.518 0.002 . 1 . . . . . 19 LYS HB3 . 51052 1 24 . 1 . 1 7 7 LYS HG2 H 1 1.335 0.004 . 1 . . . . . 19 LYS HG2 . 51052 1 25 . 1 . 1 7 7 LYS HG3 H 1 1.173 0.000 . 1 . . . . . 19 LYS HG3 . 51052 1 26 . 1 . 1 7 7 LYS HD2 H 1 1.486 0.003 . 1 . . . . . 19 LYS HD2 . 51052 1 27 . 1 . 1 7 7 LYS HD3 H 1 1.474 0.000 . 1 . . . . . 19 LYS HD3 . 51052 1 28 . 1 . 1 7 7 LYS HE2 H 1 2.721 0.003 . 1 . . . . . 19 LYS HE2 . 51052 1 29 . 1 . 1 7 7 LYS HE3 H 1 2.791 0.001 . 1 . . . . . 19 LYS HE3 . 51052 1 30 . 1 . 1 7 7 LYS CA C 13 54.300 0.000 . 1 . . . . . 19 LYS CA . 51052 1 31 . 1 . 1 7 7 LYS CB C 13 35.938 0.071 . 1 . . . . . 19 LYS CB . 51052 1 32 . 1 . 1 7 7 LYS CG C 13 24.088 0.044 . 1 . . . . . 19 LYS CG . 51052 1 33 . 1 . 1 7 7 LYS CD C 13 28.968 0.041 . 1 . . . . . 19 LYS CD . 51052 1 34 . 1 . 1 7 7 LYS CE C 13 41.447 0.037 . 1 . . . . . 19 LYS CE . 51052 1 35 . 1 . 1 7 7 LYS N N 15 123.045 0.031 . 1 . . . . . 19 LYS N . 51052 1 36 . 1 . 1 8 8 SER H H 1 8.865 0.006 . 1 . . . . . 20 SER H . 51052 1 37 . 1 . 1 8 8 SER HA H 1 4.916 0.010 . 1 . . . . . 20 SER HA . 51052 1 38 . 1 . 1 8 8 SER HB2 H 1 3.867 0.005 . 1 . . . . . 20 SER HB2 . 51052 1 39 . 1 . 1 8 8 SER HB3 H 1 3.966 0.004 . 1 . . . . . 20 SER HB3 . 51052 1 40 . 1 . 1 8 8 SER CA C 13 59.008 0.050 . 1 . . . . . 20 SER CA . 51052 1 41 . 1 . 1 8 8 SER CB C 13 62.979 0.029 . 1 . . . . . 20 SER CB . 51052 1 42 . 1 . 1 8 8 SER N N 15 123.683 0.049 . 1 . . . . . 20 SER N . 51052 1 43 . 1 . 1 9 9 VAL H H 1 9.091 0.004 . 1 . . . . . 21 VAL H . 51052 1 44 . 1 . 1 9 9 VAL HA H 1 4.569 0.003 . 1 . . . . . 21 VAL HA . 51052 1 45 . 1 . 1 9 9 VAL HB H 1 1.851 0.012 . 1 . . . . . 21 VAL HB . 51052 1 46 . 1 . 1 9 9 VAL HG11 H 1 0.739 0.003 . 1 . . . . . 21 VAL HG11 . 51052 1 47 . 1 . 1 9 9 VAL HG12 H 1 0.739 0.003 . 1 . . . . . 21 VAL HG12 . 51052 1 48 . 1 . 1 9 9 VAL HG13 H 1 0.739 0.003 . 1 . . . . . 21 VAL HG13 . 51052 1 49 . 1 . 1 9 9 VAL HG21 H 1 0.739 0.003 . 1 . . . . . 21 VAL HG21 . 51052 1 50 . 1 . 1 9 9 VAL HG22 H 1 0.739 0.003 . 1 . . . . . 21 VAL HG22 . 51052 1 51 . 1 . 1 9 9 VAL HG23 H 1 0.739 0.003 . 1 . . . . . 21 VAL HG23 . 51052 1 52 . 1 . 1 9 9 VAL CA C 13 61.838 0.078 . 1 . . . . . 21 VAL CA . 51052 1 53 . 1 . 1 9 9 VAL CB C 13 36.372 0.030 . 1 . . . . . 21 VAL CB . 51052 1 54 . 1 . 1 9 9 VAL CG1 C 13 20.334 0.107 . 1 . . . . . 21 VAL CG1 . 51052 1 55 . 1 . 1 9 9 VAL CG2 C 13 20.334 0.107 . 1 . . . . . 21 VAL CG2 . 51052 1 56 . 1 . 1 9 9 VAL N N 15 127.193 0.012 . 1 . . . . . 21 VAL N . 51052 1 57 . 1 . 1 10 10 ASN H H 1 8.417 0.005 . 1 . . . . . 22 ASN H . 51052 1 58 . 1 . 1 10 10 ASN HA H 1 5.851 0.004 . 1 . . . . . 22 ASN HA . 51052 1 59 . 1 . 1 10 10 ASN HB2 H 1 2.698 0.004 . 1 . . . . . 22 ASN HB2 . 51052 1 60 . 1 . 1 10 10 ASN HB3 H 1 2.693 0.000 . 1 . . . . . 22 ASN HB3 . 51052 1 61 . 1 . 1 10 10 ASN CA C 13 52.186 0.044 . 1 . . . . . 22 ASN CA . 51052 1 62 . 1 . 1 10 10 ASN CB C 13 41.781 0.026 . 1 . . . . . 22 ASN CB . 51052 1 63 . 1 . 1 10 10 ASN N N 15 126.020 0.032 . 1 . . . . . 22 ASN N . 51052 1 64 . 1 . 1 11 11 ILE H H 1 9.362 0.007 . 1 . . . . . 23 ILE H . 51052 1 65 . 1 . 1 11 11 ILE HA H 1 4.401 0.011 . 1 . . . . . 23 ILE HA . 51052 1 66 . 1 . 1 11 11 ILE HB H 1 1.466 0.004 . 1 . . . . . 23 ILE HB . 51052 1 67 . 1 . 1 11 11 ILE HG21 H 1 -0.554 0.001 . 1 . . . . . 23 ILE HG21 . 51052 1 68 . 1 . 1 11 11 ILE HG22 H 1 -0.554 0.001 . 1 . . . . . 23 ILE HG22 . 51052 1 69 . 1 . 1 11 11 ILE HG23 H 1 -0.554 0.001 . 1 . . . . . 23 ILE HG23 . 51052 1 70 . 1 . 1 11 11 ILE HD11 H 1 0.364 0.005 . 1 . . . . . 23 ILE HD11 . 51052 1 71 . 1 . 1 11 11 ILE HD12 H 1 0.364 0.005 . 1 . . . . . 23 ILE HD12 . 51052 1 72 . 1 . 1 11 11 ILE HD13 H 1 0.364 0.005 . 1 . . . . . 23 ILE HD13 . 51052 1 73 . 1 . 1 11 11 ILE CA C 13 58.754 0.091 . 1 . . . . . 23 ILE CA . 51052 1 74 . 1 . 1 11 11 ILE CB C 13 39.858 0.077 . 1 . . . . . 23 ILE CB . 51052 1 75 . 1 . 1 11 11 ILE CG1 C 13 28.562 0.071 . 1 . . . . . 23 ILE CG1 . 51052 1 76 . 1 . 1 11 11 ILE CG2 C 13 17.041 0.088 . 1 . . . . . 23 ILE CG2 . 51052 1 77 . 1 . 1 11 11 ILE CD1 C 13 14.284 0.049 . 1 . . . . . 23 ILE CD1 . 51052 1 78 . 1 . 1 11 11 ILE N N 15 125.957 0.029 . 1 . . . . . 23 ILE N . 51052 1 79 . 1 . 1 12 12 THR H H 1 8.506 0.007 . 1 . . . . . 24 THR H . 51052 1 80 . 1 . 1 12 12 THR HA H 1 4.364 0.008 . 1 . . . . . 24 THR HA . 51052 1 81 . 1 . 1 12 12 THR HB H 1 3.898 0.004 . 1 . . . . . 24 THR HB . 51052 1 82 . 1 . 1 12 12 THR HG21 H 1 1.017 0.015 . 1 . . . . . 24 THR HG21 . 51052 1 83 . 1 . 1 12 12 THR HG22 H 1 1.017 0.015 . 1 . . . . . 24 THR HG22 . 51052 1 84 . 1 . 1 12 12 THR HG23 H 1 1.017 0.015 . 1 . . . . . 24 THR HG23 . 51052 1 85 . 1 . 1 12 12 THR CA C 13 61.943 0.026 . 1 . . . . . 24 THR CA . 51052 1 86 . 1 . 1 12 12 THR CB C 13 69.852 0.039 . 1 . . . . . 24 THR CB . 51052 1 87 . 1 . 1 12 12 THR CG2 C 13 22.059 0.015 . 1 . . . . . 24 THR CG2 . 51052 1 88 . 1 . 1 12 12 THR N N 15 122.850 0.050 . 1 . . . . . 24 THR N . 51052 1 89 . 1 . 1 13 13 PHE H H 1 9.924 0.008 . 1 . . . . . 25 PHE H . 51052 1 90 . 1 . 1 13 13 PHE HA H 1 4.051 0.006 . 1 . . . . . 25 PHE HA . 51052 1 91 . 1 . 1 13 13 PHE HB2 H 1 2.807 0.014 . 1 . . . . . 25 PHE HB2 . 51052 1 92 . 1 . 1 13 13 PHE HB3 H 1 3.022 0.001 . 1 . . . . . 25 PHE HB3 . 51052 1 93 . 1 . 1 13 13 PHE CA C 13 60.518 0.101 . 1 . . . . . 25 PHE CA . 51052 1 94 . 1 . 1 13 13 PHE CB C 13 39.726 0.038 . 1 . . . . . 25 PHE CB . 51052 1 95 . 1 . 1 13 13 PHE N N 15 128.481 0.016 . 1 . . . . . 25 PHE N . 51052 1 96 . 1 . 1 14 14 GLU H H 1 8.834 0.001 . 1 . . . . . 26 GLU H . 51052 1 97 . 1 . 1 14 14 GLU HA H 1 4.911 0.002 . 1 . . . . . 26 GLU HA . 51052 1 98 . 1 . 1 14 14 GLU HG2 H 1 2.236 0.006 . 1 . . . . . 26 GLU HG2 . 51052 1 99 . 1 . 1 14 14 GLU CA C 13 54.892 0.060 . 1 . . . . . 26 GLU CA . 51052 1 100 . 1 . 1 14 14 GLU CB C 13 28.881 0.000 . 1 . . . . . 26 GLU CB . 51052 1 101 . 1 . 1 14 14 GLU CG C 13 36.487 0.113 . 1 . . . . . 26 GLU CG . 51052 1 102 . 1 . 1 14 14 GLU N N 15 125.439 0.056 . 1 . . . . . 26 GLU N . 51052 1 103 . 1 . 1 15 15 LEU H H 1 9.957 0.000 . 1 . . . . . 27 LEU H . 51052 1 104 . 1 . 1 15 15 LEU HA H 1 4.221 0.000 . 1 . . . . . 27 LEU HA . 51052 1 105 . 1 . 1 15 15 LEU HB2 H 1 1.621 0.000 . 1 . . . . . 27 LEU HB2 . 51052 1 106 . 1 . 1 15 15 LEU HG H 1 0.720 0.002 . 1 . . . . . 27 LEU HG . 51052 1 107 . 1 . 1 15 15 LEU HD11 H 1 -0.462 0.003 . 1 . . . . . 27 LEU HD11 . 51052 1 108 . 1 . 1 15 15 LEU HD12 H 1 -0.462 0.003 . 1 . . . . . 27 LEU HD12 . 51052 1 109 . 1 . 1 15 15 LEU HD13 H 1 -0.462 0.003 . 1 . . . . . 27 LEU HD13 . 51052 1 110 . 1 . 1 15 15 LEU CA C 13 56.030 0.010 . 1 . . . . . 27 LEU CA . 51052 1 111 . 1 . 1 15 15 LEU CB C 13 42.961 0.000 . 1 . . . . . 27 LEU CB . 51052 1 112 . 1 . 1 15 15 LEU CG C 13 26.637 0.124 . 1 . . . . . 27 LEU CG . 51052 1 113 . 1 . 1 15 15 LEU CD1 C 13 20.359 0.031 . 1 . . . . . 27 LEU CD1 . 51052 1 114 . 1 . 1 15 15 LEU N N 15 124.879 0.000 . 1 . . . . . 27 LEU N . 51052 1 115 . 1 . 1 16 16 ASP H H 1 9.175 0.000 . 1 . . . . . 28 ASP H . 51052 1 116 . 1 . 1 16 16 ASP N N 15 118.898 0.000 . 1 . . . . . 28 ASP N . 51052 1 117 . 1 . 1 17 17 GLU H H 1 9.488 0.000 . 1 . . . . . 29 GLU H . 51052 1 118 . 1 . 1 17 17 GLU HA H 1 4.362 0.003 . 1 . . . . . 29 GLU HA . 51052 1 119 . 1 . 1 17 17 GLU HG2 H 1 2.463 0.000 . 1 . . . . . 29 GLU HG2 . 51052 1 120 . 1 . 1 17 17 GLU HG3 H 1 2.245 0.000 . 1 . . . . . 29 GLU HG3 . 51052 1 121 . 1 . 1 17 17 GLU CA C 13 59.426 0.063 . 1 . . . . . 29 GLU CA . 51052 1 122 . 1 . 1 17 17 GLU CG C 13 36.273 0.008 . 1 . . . . . 29 GLU CG . 51052 1 123 . 1 . 1 17 17 GLU N N 15 129.373 0.000 . 1 . . . . . 29 GLU N . 51052 1 124 . 1 . 1 18 18 ARG H H 1 9.102 0.000 . 1 . . . . . 30 ARG H . 51052 1 125 . 1 . 1 18 18 ARG N N 15 119.045 0.000 . 1 . . . . . 30 ARG N . 51052 1 126 . 1 . 1 19 19 ILE H H 1 7.833 0.002 . 1 . . . . . 31 ILE H . 51052 1 127 . 1 . 1 19 19 ILE HB H 1 2.077 0.005 . 1 . . . . . 31 ILE HB . 51052 1 128 . 1 . 1 19 19 ILE HG12 H 1 1.128 0.004 . 1 . . . . . 31 ILE HG12 . 51052 1 129 . 1 . 1 19 19 ILE HG13 H 1 1.417 0.005 . 1 . . . . . 31 ILE HG13 . 51052 1 130 . 1 . 1 19 19 ILE HG21 H 1 0.679 0.001 . 1 . . . . . 31 ILE HG21 . 51052 1 131 . 1 . 1 19 19 ILE HG22 H 1 0.679 0.001 . 1 . . . . . 31 ILE HG22 . 51052 1 132 . 1 . 1 19 19 ILE HG23 H 1 0.679 0.001 . 1 . . . . . 31 ILE HG23 . 51052 1 133 . 1 . 1 19 19 ILE HD11 H 1 0.933 0.001 . 1 . . . . . 31 ILE HD11 . 51052 1 134 . 1 . 1 19 19 ILE HD12 H 1 0.933 0.001 . 1 . . . . . 31 ILE HD12 . 51052 1 135 . 1 . 1 19 19 ILE HD13 H 1 0.933 0.001 . 1 . . . . . 31 ILE HD13 . 51052 1 136 . 1 . 1 19 19 ILE CA C 13 59.466 0.047 . 1 . . . . . 31 ILE CA . 51052 1 137 . 1 . 1 19 19 ILE CB C 13 41.744 0.094 . 1 . . . . . 31 ILE CB . 51052 1 138 . 1 . 1 19 19 ILE CG1 C 13 27.708 0.043 . 1 . . . . . 31 ILE CG1 . 51052 1 139 . 1 . 1 19 19 ILE CG2 C 13 20.633 0.041 . 1 . . . . . 31 ILE CG2 . 51052 1 140 . 1 . 1 19 19 ILE CD1 C 13 15.109 0.018 . 1 . . . . . 31 ILE CD1 . 51052 1 141 . 1 . 1 19 19 ILE N N 15 104.482 0.000 . 1 . . . . . 31 ILE N . 51052 1 142 . 1 . 1 20 20 ASP H H 1 8.391 0.004 . 1 . . . . . 32 ASP H . 51052 1 143 . 1 . 1 20 20 ASP HA H 1 4.339 0.006 . 1 . . . . . 32 ASP HA . 51052 1 144 . 1 . 1 20 20 ASP HB2 H 1 2.457 0.007 . 1 . . . . . 32 ASP HB2 . 51052 1 145 . 1 . 1 20 20 ASP HB3 H 1 2.878 0.016 . 1 . . . . . 32 ASP HB3 . 51052 1 146 . 1 . 1 20 20 ASP CA C 13 59.624 0.034 . 1 . . . . . 32 ASP CA . 51052 1 147 . 1 . 1 20 20 ASP CB C 13 41.167 0.033 . 1 . . . . . 32 ASP CB . 51052 1 148 . 1 . 1 20 20 ASP N N 15 126.671 0.021 . 1 . . . . . 32 ASP N . 51052 1 149 . 1 . 1 21 21 LYS H H 1 8.894 0.006 . 1 . . . . . 33 LYS H . 51052 1 150 . 1 . 1 21 21 LYS HA H 1 4.149 0.007 . 1 . . . . . 33 LYS HA . 51052 1 151 . 1 . 1 21 21 LYS HB2 H 1 1.953 0.009 . 1 . . . . . 33 LYS HB2 . 51052 1 152 . 1 . 1 21 21 LYS HB3 H 1 1.589 0.005 . 1 . . . . . 33 LYS HB3 . 51052 1 153 . 1 . 1 21 21 LYS HG2 H 1 1.391 0.003 . 1 . . . . . 33 LYS HG2 . 51052 1 154 . 1 . 1 21 21 LYS HG3 H 1 1.605 0.000 . 1 . . . . . 33 LYS HG3 . 51052 1 155 . 1 . 1 21 21 LYS CA C 13 59.759 0.096 . 1 . . . . . 33 LYS CA . 51052 1 156 . 1 . 1 21 21 LYS CB C 13 33.110 0.120 . 1 . . . . . 33 LYS CB . 51052 1 157 . 1 . 1 21 21 LYS CG C 13 25.358 0.030 . 1 . . . . . 33 LYS CG . 51052 1 158 . 1 . 1 21 21 LYS CD C 13 29.216 0.099 . 1 . . . . . 33 LYS CD . 51052 1 159 . 1 . 1 21 21 LYS CE C 13 42.062 0.000 . 1 . . . . . 33 LYS CE . 51052 1 160 . 1 . 1 21 21 LYS N N 15 116.526 0.006 . 1 . . . . . 33 LYS N . 51052 1 161 . 1 . 1 22 22 VAL H H 1 7.612 0.000 . 1 . . . . . 34 VAL H . 51052 1 162 . 1 . 1 22 22 VAL HA H 1 3.453 0.000 . 1 . . . . . 34 VAL HA . 51052 1 163 . 1 . 1 22 22 VAL HG11 H 1 0.702 0.000 . 1 . . . . . 34 VAL HG11 . 51052 1 164 . 1 . 1 22 22 VAL HG12 H 1 0.702 0.000 . 1 . . . . . 34 VAL HG12 . 51052 1 165 . 1 . 1 22 22 VAL HG13 H 1 0.702 0.000 . 1 . . . . . 34 VAL HG13 . 51052 1 166 . 1 . 1 22 22 VAL HG21 H 1 1.085 0.000 . 1 . . . . . 34 VAL HG21 . 51052 1 167 . 1 . 1 22 22 VAL HG22 H 1 1.085 0.000 . 1 . . . . . 34 VAL HG22 . 51052 1 168 . 1 . 1 22 22 VAL HG23 H 1 1.085 0.000 . 1 . . . . . 34 VAL HG23 . 51052 1 169 . 1 . 1 22 22 VAL CA C 13 65.847 0.000 . 1 . . . . . 34 VAL CA . 51052 1 170 . 1 . 1 22 22 VAL CG1 C 13 21.341 0.000 . 1 . . . . . 34 VAL CG1 . 51052 1 171 . 1 . 1 22 22 VAL CG2 C 13 23.194 0.000 . 1 . . . . . 34 VAL CG2 . 51052 1 172 . 1 . 1 22 22 VAL N N 15 115.849 0.000 . 1 . . . . . 34 VAL N . 51052 1 173 . 1 . 1 23 23 LEU H H 1 6.972 0.004 . 1 . . . . . 35 LEU H . 51052 1 174 . 1 . 1 23 23 LEU HA H 1 3.952 0.009 . 1 . . . . . 35 LEU HA . 51052 1 175 . 1 . 1 23 23 LEU HB2 H 1 1.479 0.000 . 1 . . . . . 35 LEU HB2 . 51052 1 176 . 1 . 1 23 23 LEU HD11 H 1 0.685 0.008 . 1 . . . . . 35 LEU HD11 . 51052 1 177 . 1 . 1 23 23 LEU HD12 H 1 0.685 0.008 . 1 . . . . . 35 LEU HD12 . 51052 1 178 . 1 . 1 23 23 LEU HD13 H 1 0.685 0.008 . 1 . . . . . 35 LEU HD13 . 51052 1 179 . 1 . 1 23 23 LEU HD21 H 1 0.584 0.011 . 1 . . . . . 35 LEU HD21 . 51052 1 180 . 1 . 1 23 23 LEU HD22 H 1 0.584 0.011 . 1 . . . . . 35 LEU HD22 . 51052 1 181 . 1 . 1 23 23 LEU HD23 H 1 0.584 0.011 . 1 . . . . . 35 LEU HD23 . 51052 1 182 . 1 . 1 23 23 LEU CA C 13 56.466 0.081 . 1 . . . . . 35 LEU CA . 51052 1 183 . 1 . 1 23 23 LEU CB C 13 40.249 0.075 . 1 . . . . . 35 LEU CB . 51052 1 184 . 1 . 1 23 23 LEU CD1 C 13 27.261 0.034 . 1 . . . . . 35 LEU CD1 . 51052 1 185 . 1 . 1 23 23 LEU CD2 C 13 22.399 0.042 . 1 . . . . . 35 LEU CD2 . 51052 1 186 . 1 . 1 23 23 LEU N N 15 118.097 0.027 . 1 . . . . . 35 LEU N . 51052 1 187 . 1 . 1 24 24 ASN H H 1 9.077 0.005 . 1 . . . . . 36 ASN H . 51052 1 188 . 1 . 1 24 24 ASN N N 15 117.264 0.052 . 1 . . . . . 36 ASN N . 51052 1 189 . 1 . 1 25 25 GLU H H 1 7.724 0.002 . 1 . . . . . 37 GLU H . 51052 1 190 . 1 . 1 25 25 GLU HA H 1 4.463 0.020 . 1 . . . . . 37 GLU HA . 51052 1 191 . 1 . 1 25 25 GLU HB2 H 1 2.360 0.000 . 1 . . . . . 37 GLU HB2 . 51052 1 192 . 1 . 1 25 25 GLU HG2 H 1 2.393 0.018 . 1 . . . . . 37 GLU HG2 . 51052 1 193 . 1 . 1 25 25 GLU CA C 13 58.347 0.097 . 1 . . . . . 37 GLU CA . 51052 1 194 . 1 . 1 25 25 GLU CB C 13 29.392 0.012 . 1 . . . . . 37 GLU CB . 51052 1 195 . 1 . 1 25 25 GLU CG C 13 36.238 0.065 . 1 . . . . . 37 GLU CG . 51052 1 196 . 1 . 1 25 25 GLU N N 15 117.572 0.031 . 1 . . . . . 37 GLU N . 51052 1 197 . 1 . 1 26 26 LYS H H 1 8.009 0.003 . 1 . . . . . 38 LYS H . 51052 1 198 . 1 . 1 26 26 LYS N N 15 115.175 0.016 . 1 . . . . . 38 LYS N . 51052 1 199 . 1 . 1 27 27 CYS H H 1 9.147 0.002 . 1 . . . . . 39 CYS H . 51052 1 200 . 1 . 1 27 27 CYS HA H 1 5.205 0.000 . 1 . . . . . 39 CYS HA . 51052 1 201 . 1 . 1 27 27 CYS CA C 13 55.588 0.000 . 1 . . . . . 39 CYS CA . 51052 1 202 . 1 . 1 27 27 CYS N N 15 117.481 0.000 . 1 . . . . . 39 CYS N . 51052 1 203 . 1 . 1 28 28 SER H H 1 8.493 0.000 . 1 . . . . . 40 SER H . 51052 1 204 . 1 . 1 28 28 SER HA H 1 5.215 0.000 . 1 . . . . . 40 SER HA . 51052 1 205 . 1 . 1 28 28 SER CA C 13 56.991 0.000 . 1 . . . . . 40 SER CA . 51052 1 206 . 1 . 1 28 28 SER N N 15 114.936 0.000 . 1 . . . . . 40 SER N . 51052 1 207 . 1 . 1 29 29 ALA H H 1 7.515 0.000 . 1 . . . . . 41 ALA H . 51052 1 208 . 1 . 1 29 29 ALA HA H 1 5.225 0.000 . 1 . . . . . 41 ALA HA . 51052 1 209 . 1 . 1 29 29 ALA HB1 H 1 1.249 0.000 . 1 . . . . . 41 ALA HB1 . 51052 1 210 . 1 . 1 29 29 ALA HB2 H 1 1.249 0.000 . 1 . . . . . 41 ALA HB2 . 51052 1 211 . 1 . 1 29 29 ALA HB3 H 1 1.249 0.000 . 1 . . . . . 41 ALA HB3 . 51052 1 212 . 1 . 1 29 29 ALA CA C 13 51.949 0.000 . 1 . . . . . 41 ALA CA . 51052 1 213 . 1 . 1 29 29 ALA CB C 13 20.670 0.000 . 1 . . . . . 41 ALA CB . 51052 1 214 . 1 . 1 29 29 ALA N N 15 125.249 0.000 . 1 . . . . . 41 ALA N . 51052 1 215 . 1 . 1 30 30 TYR H H 1 8.975 0.000 . 1 . . . . . 42 TYR H . 51052 1 216 . 1 . 1 30 30 TYR N N 15 121.262 0.000 . 1 . . . . . 42 TYR N . 51052 1 217 . 1 . 1 31 31 THR H H 1 8.975 0.000 . 1 . . . . . 43 THR H . 51052 1 218 . 1 . 1 31 31 THR N N 15 121.219 0.000 . 1 . . . . . 43 THR N . 51052 1 219 . 1 . 1 32 32 VAL H H 1 9.238 0.011 . 1 . . . . . 44 VAL H . 51052 1 220 . 1 . 1 32 32 VAL HA H 1 3.863 0.000 . 1 . . . . . 44 VAL HA . 51052 1 221 . 1 . 1 32 32 VAL HB H 1 1.567 0.000 . 1 . . . . . 44 VAL HB . 51052 1 222 . 1 . 1 32 32 VAL HG11 H 1 0.154 0.002 . 1 . . . . . 44 VAL HG11 . 51052 1 223 . 1 . 1 32 32 VAL HG12 H 1 0.154 0.002 . 1 . . . . . 44 VAL HG12 . 51052 1 224 . 1 . 1 32 32 VAL HG13 H 1 0.154 0.002 . 1 . . . . . 44 VAL HG13 . 51052 1 225 . 1 . 1 32 32 VAL HG21 H 1 0.383 0.000 . 1 . . . . . 44 VAL HG21 . 51052 1 226 . 1 . 1 32 32 VAL HG22 H 1 0.383 0.000 . 1 . . . . . 44 VAL HG22 . 51052 1 227 . 1 . 1 32 32 VAL HG23 H 1 0.383 0.000 . 1 . . . . . 44 VAL HG23 . 51052 1 228 . 1 . 1 32 32 VAL CA C 13 61.013 0.000 . 1 . . . . . 44 VAL CA . 51052 1 229 . 1 . 1 32 32 VAL CB C 13 34.490 0.000 . 1 . . . . . 44 VAL CB . 51052 1 230 . 1 . 1 32 32 VAL CG1 C 13 22.502 0.038 . 1 . . . . . 44 VAL CG1 . 51052 1 231 . 1 . 1 32 32 VAL CG2 C 13 21.049 0.044 . 1 . . . . . 44 VAL CG2 . 51052 1 232 . 1 . 1 32 32 VAL N N 15 127.186 0.053 . 1 . . . . . 44 VAL N . 51052 1 233 . 1 . 1 33 33 GLU H H 1 8.608 0.002 . 1 . . . . . 45 GLU H . 51052 1 234 . 1 . 1 33 33 GLU HA H 1 3.091 0.011 . 1 . . . . . 45 GLU HA . 51052 1 235 . 1 . 1 33 33 GLU HB2 H 1 1.687 0.010 . 1 . . . . . 45 GLU HB2 . 51052 1 236 . 1 . 1 33 33 GLU CA C 13 56.786 0.063 . 1 . . . . . 45 GLU CA . 51052 1 237 . 1 . 1 33 33 GLU CB C 13 35.282 0.037 . 1 . . . . . 45 GLU CB . 51052 1 238 . 1 . 1 33 33 GLU N N 15 130.272 0.013 . 1 . . . . . 45 GLU N . 51052 1 239 . 1 . 1 34 34 LEU H H 1 8.353 0.003 . 1 . . . . . 46 LEU H . 51052 1 240 . 1 . 1 34 34 LEU HA H 1 3.809 0.007 . 1 . . . . . 46 LEU HA . 51052 1 241 . 1 . 1 34 34 LEU HB2 H 1 1.526 0.014 . 1 . . . . . 46 LEU HB2 . 51052 1 242 . 1 . 1 34 34 LEU HB3 H 1 1.343 0.005 . 1 . . . . . 46 LEU HB3 . 51052 1 243 . 1 . 1 34 34 LEU HG H 1 1.295 0.003 . 1 . . . . . 46 LEU HG . 51052 1 244 . 1 . 1 34 34 LEU HD11 H 1 0.802 0.003 . 1 . . . . . 46 LEU HD11 . 51052 1 245 . 1 . 1 34 34 LEU HD12 H 1 0.802 0.003 . 1 . . . . . 46 LEU HD12 . 51052 1 246 . 1 . 1 34 34 LEU HD13 H 1 0.802 0.003 . 1 . . . . . 46 LEU HD13 . 51052 1 247 . 1 . 1 34 34 LEU HD21 H 1 0.807 0.002 . 1 . . . . . 46 LEU HD21 . 51052 1 248 . 1 . 1 34 34 LEU HD22 H 1 0.807 0.002 . 1 . . . . . 46 LEU HD22 . 51052 1 249 . 1 . 1 34 34 LEU HD23 H 1 0.807 0.002 . 1 . . . . . 46 LEU HD23 . 51052 1 250 . 1 . 1 34 34 LEU CA C 13 57.087 0.085 . 1 . . . . . 46 LEU CA . 51052 1 251 . 1 . 1 34 34 LEU CB C 13 40.838 0.051 . 1 . . . . . 46 LEU CB . 51052 1 252 . 1 . 1 34 34 LEU CG C 13 27.483 0.080 . 1 . . . . . 46 LEU CG . 51052 1 253 . 1 . 1 34 34 LEU CD1 C 13 23.344 0.047 . 1 . . . . . 46 LEU CD1 . 51052 1 254 . 1 . 1 34 34 LEU CD2 C 13 25.266 0.071 . 1 . . . . . 46 LEU CD2 . 51052 1 255 . 1 . 1 34 34 LEU N N 15 129.184 0.074 . 1 . . . . . 46 LEU N . 51052 1 256 . 1 . 1 35 35 GLY H H 1 8.632 0.001 . 1 . . . . . 47 GLY H . 51052 1 257 . 1 . 1 35 35 GLY HA2 H 1 3.512 0.000 . 1 . . . . . 47 GLY HA2 . 51052 1 258 . 1 . 1 35 35 GLY HA3 H 1 4.264 0.001 . 1 . . . . . 47 GLY HA3 . 51052 1 259 . 1 . 1 35 35 GLY CA C 13 44.533 0.055 . 1 . . . . . 47 GLY CA . 51052 1 260 . 1 . 1 35 35 GLY N N 15 109.967 0.027 . 1 . . . . . 47 GLY N . 51052 1 261 . 1 . 1 36 36 THR H H 1 7.615 0.004 . 1 . . . . . 48 THR H . 51052 1 262 . 1 . 1 36 36 THR HG1 H 1 5.427 0.000 . 1 . . . . . 48 THR HG1 . 51052 1 263 . 1 . 1 36 36 THR HG21 H 1 0.973 0.000 . 1 . . . . . 48 THR HG21 . 51052 1 264 . 1 . 1 36 36 THR HG22 H 1 0.973 0.000 . 1 . . . . . 48 THR HG22 . 51052 1 265 . 1 . 1 36 36 THR HG23 H 1 0.973 0.000 . 1 . . . . . 48 THR HG22 . 51052 1 266 . 1 . 1 36 36 THR CG2 C 13 21.916 0.000 . 1 . . . . . 48 THR CG2 . 51052 1 267 . 1 . 1 36 36 THR N N 15 120.447 0.013 . 1 . . . . . 48 THR N . 51052 1 268 . 1 . 1 37 37 GLU H H 1 8.652 0.000 . 1 . . . . . 49 GLU H . 51052 1 269 . 1 . 1 37 37 GLU HA H 1 4.334 0.000 . 1 . . . . . 49 GLU HA . 51052 1 270 . 1 . 1 37 37 GLU N N 15 127.828 0.000 . 1 . . . . . 49 GLU N . 51052 1 271 . 1 . 1 38 38 VAL H H 1 9.189 0.002 . 1 . . . . . 50 VAL H . 51052 1 272 . 1 . 1 38 38 VAL HA H 1 3.559 0.012 . 1 . . . . . 50 VAL HA . 51052 1 273 . 1 . 1 38 38 VAL HB H 1 2.070 0.002 . 1 . . . . . 50 VAL HB . 51052 1 274 . 1 . 1 38 38 VAL HG11 H 1 1.045 0.005 . 1 . . . . . 50 VAL HG11 . 51052 1 275 . 1 . 1 38 38 VAL HG12 H 1 1.045 0.005 . 1 . . . . . 50 VAL HG12 . 51052 1 276 . 1 . 1 38 38 VAL HG13 H 1 1.045 0.005 . 1 . . . . . 50 VAL HG13 . 51052 1 277 . 1 . 1 38 38 VAL HG21 H 1 1.024 0.000 . 1 . . . . . 50 VAL HG21 . 51052 1 278 . 1 . 1 38 38 VAL HG22 H 1 1.024 0.000 . 1 . . . . . 50 VAL HG22 . 51052 1 279 . 1 . 1 38 38 VAL HG23 H 1 1.024 0.000 . 1 . . . . . 50 VAL HG23 . 51052 1 280 . 1 . 1 38 38 VAL CA C 13 68.109 0.042 . 1 . . . . . 50 VAL CA . 51052 1 281 . 1 . 1 38 38 VAL CB C 13 31.454 0.028 . 1 . . . . . 50 VAL CB . 51052 1 282 . 1 . 1 38 38 VAL CG1 C 13 22.954 0.038 . 1 . . . . . 50 VAL CG1 . 51052 1 283 . 1 . 1 38 38 VAL CG2 C 13 23.901 0.000 . 1 . . . . . 50 VAL CG2 . 51052 1 284 . 1 . 1 38 38 VAL N N 15 126.829 0.024 . 1 . . . . . 50 VAL N . 51052 1 285 . 1 . 1 39 39 ASN H H 1 9.013 0.005 . 1 . . . . . 51 ASN H . 51052 1 286 . 1 . 1 39 39 ASN HA H 1 4.473 0.005 . 1 . . . . . 51 ASN HA . 51052 1 287 . 1 . 1 39 39 ASN HB2 H 1 2.844 0.003 . 1 . . . . . 51 ASN HB2 . 51052 1 288 . 1 . 1 39 39 ASN HB3 H 1 2.750 0.003 . 1 . . . . . 51 ASN HB3 . 51052 1 289 . 1 . 1 39 39 ASN CA C 13 55.913 0.000 . 1 . . . . . 51 ASN CA . 51052 1 290 . 1 . 1 39 39 ASN CB C 13 37.062 0.077 . 1 . . . . . 51 ASN CB . 51052 1 291 . 1 . 1 39 39 ASN N N 15 115.704 0.000 . 1 . . . . . 51 ASN N . 51052 1 292 . 1 . 1 40 40 GLU H H 1 7.061 0.000 . 1 . . . . . 52 GLU H . 51052 1 293 . 1 . 1 40 40 GLU N N 15 120.031 0.000 . 1 . . . . . 52 GLU N . 51052 1 294 . 1 . 1 41 41 PHE HA H 1 3.348 0.001 . 1 . . . . . 53 PHE HA . 51052 1 295 . 1 . 1 41 41 PHE CA C 13 55.658 0.000 . 1 . . . . . 53 PHE CA . 51052 1 296 . 1 . 1 42 42 ALA H H 1 8.597 0.004 . 1 . . . . . 54 ALA H . 51052 1 297 . 1 . 1 42 42 ALA HB1 H 1 1.393 0.002 . 1 . . . . . 54 ALA HB1 . 51052 1 298 . 1 . 1 42 42 ALA HB2 H 1 1.393 0.002 . 1 . . . . . 54 ALA HB2 . 51052 1 299 . 1 . 1 42 42 ALA HB3 H 1 1.393 0.002 . 1 . . . . . 54 ALA HB3 . 51052 1 300 . 1 . 1 42 42 ALA CA C 13 54.839 0.000 . 1 . . . . . 54 ALA CA . 51052 1 301 . 1 . 1 42 42 ALA CB C 13 18.178 0.035 . 1 . . . . . 54 ALA CB . 51052 1 302 . 1 . 1 42 42 ALA N N 15 120.349 0.022 . 1 . . . . . 54 ALA N . 51052 1 303 . 1 . 1 43 43 CYS H H 1 7.036 0.000 . 1 . . . . . 55 CYS H . 51052 1 304 . 1 . 1 43 43 CYS N N 15 114.002 0.000 . 1 . . . . . 55 CYS N . 51052 1 305 . 1 . 1 44 44 VAL H H 1 7.227 0.000 . 1 . . . . . 56 VAL H . 51052 1 306 . 1 . 1 44 44 VAL HG11 H 1 0.862 0.000 . 1 . . . . . 56 VAL HG11 . 51052 1 307 . 1 . 1 44 44 VAL HG12 H 1 0.862 0.000 . 1 . . . . . 56 VAL HG12 . 51052 1 308 . 1 . 1 44 44 VAL HG13 H 1 0.862 0.000 . 1 . . . . . 56 VAL HG13 . 51052 1 309 . 1 . 1 44 44 VAL HG21 H 1 1.109 0.000 . 1 . . . . . 56 VAL HG21 . 51052 1 310 . 1 . 1 44 44 VAL HG22 H 1 1.109 0.000 . 1 . . . . . 56 VAL HG22 . 51052 1 311 . 1 . 1 44 44 VAL HG23 H 1 1.109 0.000 . 1 . . . . . 56 VAL HG23 . 51052 1 312 . 1 . 1 44 44 VAL CG1 C 13 21.982 0.000 . 1 . . . . . 56 VAL CG1 . 51052 1 313 . 1 . 1 44 44 VAL CG2 C 13 21.233 0.000 . 1 . . . . . 56 VAL CG2 . 51052 1 314 . 1 . 1 44 44 VAL N N 15 121.412 0.000 . 1 . . . . . 56 VAL N . 51052 1 315 . 1 . 1 45 45 VAL H H 1 7.613 0.003 . 1 . . . . . 57 VAL H . 51052 1 316 . 1 . 1 45 45 VAL HA H 1 3.452 0.000 . 1 . . . . . 57 VAL HA . 51052 1 317 . 1 . 1 45 45 VAL HB H 1 2.483 0.003 . 1 . . . . . 57 VAL HB . 51052 1 318 . 1 . 1 45 45 VAL HG11 H 1 -0.328 0.006 . 1 . . . . . 57 VAL HG11 . 51052 1 319 . 1 . 1 45 45 VAL HG12 H 1 -0.328 0.006 . 1 . . . . . 57 VAL HG12 . 51052 1 320 . 1 . 1 45 45 VAL HG13 H 1 -0.328 0.006 . 1 . . . . . 57 VAL HG13 . 51052 1 321 . 1 . 1 45 45 VAL HG21 H 1 1.127 0.003 . 1 . . . . . 57 VAL HG21 . 51052 1 322 . 1 . 1 45 45 VAL HG22 H 1 1.127 0.003 . 1 . . . . . 57 VAL HG22 . 51052 1 323 . 1 . 1 45 45 VAL HG23 H 1 1.127 0.003 . 1 . . . . . 57 VAL HG23 . 51052 1 324 . 1 . 1 45 45 VAL CA C 13 65.953 0.024 . 1 . . . . . 57 VAL CA . 51052 1 325 . 1 . 1 45 45 VAL CB C 13 31.785 0.000 . 1 . . . . . 57 VAL CB . 51052 1 326 . 1 . 1 45 45 VAL CG1 C 13 22.971 0.046 . 1 . . . . . 57 VAL CG1 . 51052 1 327 . 1 . 1 45 45 VAL CG2 C 13 22.711 0.019 . 1 . . . . . 57 VAL CG2 . 51052 1 328 . 1 . 1 45 45 VAL N N 15 122.210 0.016 . 1 . . . . . 57 VAL N . 51052 1 329 . 1 . 1 46 46 ALA H H 1 7.851 0.000 . 1 . . . . . 58 ALA H . 51052 1 330 . 1 . 1 46 46 ALA HA H 1 2.908 0.000 . 1 . . . . . 58 ALA HA . 51052 1 331 . 1 . 1 46 46 ALA HB1 H 1 0.781 0.000 . 1 . . . . . 58 ALA HB1 . 51052 1 332 . 1 . 1 46 46 ALA HB2 H 1 0.781 0.000 . 1 . . . . . 58 ALA HB2 . 51052 1 333 . 1 . 1 46 46 ALA HB3 H 1 0.781 0.000 . 1 . . . . . 58 ALA HB3 . 51052 1 334 . 1 . 1 46 46 ALA CA C 13 55.799 0.000 . 1 . . . . . 58 ALA CA . 51052 1 335 . 1 . 1 46 46 ALA CB C 13 18.887 0.000 . 1 . . . . . 58 ALA CB . 51052 1 336 . 1 . 1 46 46 ALA N N 15 121.237 0.000 . 1 . . . . . 58 ALA N . 51052 1 337 . 1 . 1 47 47 ASP H H 1 7.370 0.000 . 1 . . . . . 59 ASP H . 51052 1 338 . 1 . 1 47 47 ASP HA H 1 4.289 0.000 . 1 . . . . . 59 ASP HA . 51052 1 339 . 1 . 1 47 47 ASP HB2 H 1 2.842 0.000 . 1 . . . . . 59 ASP HB2 . 51052 1 340 . 1 . 1 47 47 ASP HB3 H 1 2.646 0.000 . 1 . . . . . 59 ASP HB3 . 51052 1 341 . 1 . 1 47 47 ASP CA C 13 57.133 0.000 . 1 . . . . . 59 ASP CA . 51052 1 342 . 1 . 1 47 47 ASP CB C 13 40.798 0.006 . 1 . . . . . 59 ASP CB . 51052 1 343 . 1 . 1 47 47 ASP N N 15 115.714 0.000 . 1 . . . . . 59 ASP N . 51052 1 344 . 1 . 1 48 48 ALA H H 1 7.987 0.000 . 1 . . . . . 60 ALA H . 51052 1 345 . 1 . 1 48 48 ALA HB1 H 1 1.785 0.000 . 1 . . . . . 60 ALA HB1 . 51052 1 346 . 1 . 1 48 48 ALA HB2 H 1 1.785 0.000 . 1 . . . . . 60 ALA HB2 . 51052 1 347 . 1 . 1 48 48 ALA HB3 H 1 1.785 0.000 . 1 . . . . . 60 ALA HB3 . 51052 1 348 . 1 . 1 48 48 ALA CB C 13 18.920 0.000 . 1 . . . . . 60 ALA CB . 51052 1 349 . 1 . 1 48 48 ALA N N 15 123.866 0.000 . 1 . . . . . 60 ALA N . 51052 1 350 . 1 . 1 49 49 VAL H H 1 8.752 0.000 . 1 . . . . . 61 VAL H . 51052 1 351 . 1 . 1 49 49 VAL HA H 1 3.532 0.000 . 1 . . . . . 61 VAL HA . 51052 1 352 . 1 . 1 49 49 VAL HG11 H 1 0.921 0.001 . 1 . . . . . 61 VAL HG11 . 51052 1 353 . 1 . 1 49 49 VAL HG12 H 1 0.921 0.001 . 1 . . . . . 61 VAL HG12 . 51052 1 354 . 1 . 1 49 49 VAL HG13 H 1 0.921 0.001 . 1 . . . . . 61 VAL HG13 . 51052 1 355 . 1 . 1 49 49 VAL HG21 H 1 1.008 0.022 . 1 . . . . . 61 VAL HG21 . 51052 1 356 . 1 . 1 49 49 VAL HG22 H 1 1.008 0.022 . 1 . . . . . 61 VAL HG22 . 51052 1 357 . 1 . 1 49 49 VAL HG23 H 1 1.008 0.022 . 1 . . . . . 61 VAL HG23 . 51052 1 358 . 1 . 1 49 49 VAL CA C 13 66.951 0.000 . 1 . . . . . 61 VAL CA . 51052 1 359 . 1 . 1 49 49 VAL CG1 C 13 24.583 0.025 . 1 . . . . . 61 VAL CG1 . 51052 1 360 . 1 . 1 49 49 VAL CG2 C 13 21.114 0.023 . 1 . . . . . 61 VAL CG2 . 51052 1 361 . 1 . 1 49 49 VAL N N 15 124.228 0.000 . 1 . . . . . 61 VAL N . 51052 1 362 . 1 . 1 50 50 ILE H H 1 7.679 0.000 . 1 . . . . . 62 ILE H . 51052 1 363 . 1 . 1 50 50 ILE HA H 1 3.678 0.001 . 1 . . . . . 62 ILE HA . 51052 1 364 . 1 . 1 50 50 ILE HB H 1 2.204 0.008 . 1 . . . . . 62 ILE HB . 51052 1 365 . 1 . 1 50 50 ILE HG12 H 1 1.465 0.005 . 1 . . . . . 62 ILE HG12 . 51052 1 366 . 1 . 1 50 50 ILE HG13 H 1 2.093 0.008 . 1 . . . . . 62 ILE HG13 . 51052 1 367 . 1 . 1 50 50 ILE HG21 H 1 0.946 0.017 . 1 . . . . . 62 ILE HG21 . 51052 1 368 . 1 . 1 50 50 ILE HG22 H 1 0.946 0.017 . 1 . . . . . 62 ILE HG22 . 51052 1 369 . 1 . 1 50 50 ILE HG23 H 1 0.946 0.017 . 1 . . . . . 62 ILE HG23 . 51052 1 370 . 1 . 1 50 50 ILE HD11 H 1 0.922 0.014 . 1 . . . . . 62 ILE HD11 . 51052 1 371 . 1 . 1 50 50 ILE HD12 H 1 0.922 0.014 . 1 . . . . . 62 ILE HD12 . 51052 1 372 . 1 . 1 50 50 ILE HD13 H 1 0.922 0.014 . 1 . . . . . 62 ILE HD13 . 51052 1 373 . 1 . 1 50 50 ILE CA C 13 62.830 0.046 . 1 . . . . . 62 ILE CA . 51052 1 374 . 1 . 1 50 50 ILE CB C 13 35.585 0.014 . 1 . . . . . 62 ILE CB . 51052 1 375 . 1 . 1 50 50 ILE CG1 C 13 27.435 0.058 . 1 . . . . . 62 ILE CG1 . 51052 1 376 . 1 . 1 50 50 ILE CG2 C 13 17.940 0.062 . 1 . . . . . 62 ILE CG2 . 51052 1 377 . 1 . 1 50 50 ILE CD1 C 13 10.213 0.046 . 1 . . . . . 62 ILE CD1 . 51052 1 378 . 1 . 1 50 50 ILE N N 15 117.056 0.000 . 1 . . . . . 62 ILE N . 51052 1 379 . 1 . 1 51 51 LYS H H 1 8.193 0.008 . 1 . . . . . 63 LYS H . 51052 1 380 . 1 . 1 51 51 LYS HA H 1 3.990 0.004 . 1 . . . . . 63 LYS HA . 51052 1 381 . 1 . 1 51 51 LYS HB2 H 1 1.929 0.000 . 1 . . . . . 63 LYS HB2 . 51052 1 382 . 1 . 1 51 51 LYS HB3 H 1 1.875 0.000 . 1 . . . . . 63 LYS HB3 . 51052 1 383 . 1 . 1 51 51 LYS HG2 H 1 1.458 0.002 . 1 . . . . . 63 LYS HG2 . 51052 1 384 . 1 . 1 51 51 LYS HG3 H 1 1.574 0.002 . 1 . . . . . 63 LYS HG3 . 51052 1 385 . 1 . 1 51 51 LYS CA C 13 59.494 0.043 . 1 . . . . . 63 LYS CA . 51052 1 386 . 1 . 1 51 51 LYS CB C 13 32.746 0.092 . 1 . . . . . 63 LYS CB . 51052 1 387 . 1 . 1 51 51 LYS CG C 13 25.489 0.042 . 1 . . . . . 63 LYS CG . 51052 1 388 . 1 . 1 51 51 LYS CD C 13 29.184 0.000 . 1 . . . . . 63 LYS CD . 51052 1 389 . 1 . 1 51 51 LYS N N 15 118.370 0.020 . 1 . . . . . 63 LYS N . 51052 1 390 . 1 . 1 52 52 THR H H 1 8.076 0.000 . 1 . . . . . 64 THR H . 51052 1 391 . 1 . 1 52 52 THR HA H 1 3.827 0.000 . 1 . . . . . 64 THR HA . 51052 1 392 . 1 . 1 52 52 THR HB H 1 4.230 0.000 . 1 . . . . . 64 THR HB . 51052 1 393 . 1 . 1 52 52 THR HG21 H 1 0.946 0.000 . 1 . . . . . 64 THR HG21 . 51052 1 394 . 1 . 1 52 52 THR HG22 H 1 0.946 0.000 . 1 . . . . . 64 THR HG22 . 51052 1 395 . 1 . 1 52 52 THR HG23 H 1 0.946 0.000 . 1 . . . . . 64 THR HG23 . 51052 1 396 . 1 . 1 52 52 THR CA C 13 66.717 0.000 . 1 . . . . . 64 THR CA . 51052 1 397 . 1 . 1 52 52 THR CB C 13 68.600 0.000 . 1 . . . . . 64 THR CB . 51052 1 398 . 1 . 1 52 52 THR CG2 C 13 21.078 0.000 . 1 . . . . . 64 THR CG2 . 51052 1 399 . 1 . 1 52 52 THR N N 15 115.567 0.000 . 1 . . . . . 64 THR N . 51052 1 400 . 1 . 1 53 53 LEU H H 1 7.389 0.000 . 1 . . . . . 65 LEU H . 51052 1 401 . 1 . 1 53 53 LEU HA H 1 4.193 0.004 . 1 . . . . . 65 LEU HA . 51052 1 402 . 1 . 1 53 53 LEU HB2 H 1 1.679 0.003 . 1 . . . . . 65 LEU HB2 . 51052 1 403 . 1 . 1 53 53 LEU HD11 H 1 0.571 0.000 . 1 . . . . . 65 LEU HD11 . 51052 1 404 . 1 . 1 53 53 LEU HD12 H 1 0.571 0.000 . 1 . . . . . 65 LEU HD12 . 51052 1 405 . 1 . 1 53 53 LEU HD13 H 1 0.571 0.000 . 1 . . . . . 65 LEU HD13 . 51052 1 406 . 1 . 1 53 53 LEU HD21 H 1 0.613 0.002 . 1 . . . . . 65 LEU HD21 . 51052 1 407 . 1 . 1 53 53 LEU HD22 H 1 0.613 0.002 . 1 . . . . . 65 LEU HD22 . 51052 1 408 . 1 . 1 53 53 LEU HD23 H 1 0.613 0.002 . 1 . . . . . 65 LEU HD23 . 51052 1 409 . 1 . 1 53 53 LEU CA C 13 54.595 0.120 . 1 . . . . . 65 LEU CA . 51052 1 410 . 1 . 1 53 53 LEU CB C 13 42.545 0.175 . 1 . . . . . 65 LEU CB . 51052 1 411 . 1 . 1 53 53 LEU CD1 C 13 20.544 0.041 . 1 . . . . . 65 LEU CD1 . 51052 1 412 . 1 . 1 53 53 LEU CD2 C 13 26.056 0.040 . 1 . . . . . 65 LEU CD2 . 51052 1 413 . 1 . 1 53 53 LEU N N 15 114.849 0.000 . 1 . . . . . 65 LEU N . 51052 1 414 . 1 . 1 54 54 GLN H H 1 8.263 0.000 . 1 . . . . . 66 GLN H . 51052 1 415 . 1 . 1 54 54 GLN HA H 1 3.732 0.000 . 1 . . . . . 66 GLN HA . 51052 1 416 . 1 . 1 54 54 GLN HB2 H 1 2.340 0.000 . 1 . . . . . 66 GLN HB2 . 51052 1 417 . 1 . 1 54 54 GLN HB3 H 1 2.110 0.000 . 1 . . . . . 66 GLN HB3 . 51052 1 418 . 1 . 1 54 54 GLN HG2 H 1 2.520 0.000 . 1 . . . . . 66 GLN HG2 . 51052 1 419 . 1 . 1 54 54 GLN HG3 H 1 2.451 0.000 . 1 . . . . . 66 GLN HG3 . 51052 1 420 . 1 . 1 54 54 GLN CA C 13 60.465 0.000 . 1 . . . . . 66 GLN CA . 51052 1 421 . 1 . 1 54 54 GLN CB C 13 26.343 0.006 . 1 . . . . . 66 GLN CB . 51052 1 422 . 1 . 1 54 54 GLN CG C 13 34.231 0.006 . 1 . . . . . 66 GLN CG . 51052 1 423 . 1 . 1 54 54 GLN N N 15 120.996 0.000 . 1 . . . . . 66 GLN N . 51052 1 424 . 1 . 1 55 55 PRO HA H 1 4.514 0.000 . 1 . . . . . 67 PRO HA . 51052 1 425 . 1 . 1 55 55 PRO HB2 H 1 2.413 0.000 . 1 . . . . . 67 PRO HB2 . 51052 1 426 . 1 . 1 55 55 PRO HG2 H 1 1.977 0.007 . 1 . . . . . 67 PRO HG2 . 51052 1 427 . 1 . 1 55 55 PRO HD2 H 1 3.488 0.016 . 1 . . . . . 67 PRO HD2 . 51052 1 428 . 1 . 1 55 55 PRO HD3 H 1 3.764 0.003 . 1 . . . . . 67 PRO HD3 . 51052 1 429 . 1 . 1 55 55 PRO CA C 13 65.435 0.000 . 1 . . . . . 67 PRO CA . 51052 1 430 . 1 . 1 55 55 PRO CB C 13 31.273 0.023 . 1 . . . . . 67 PRO CB . 51052 1 431 . 1 . 1 55 55 PRO CG C 13 27.992 0.023 . 1 . . . . . 67 PRO CG . 51052 1 432 . 1 . 1 55 55 PRO CD C 13 51.373 0.027 . 1 . . . . . 67 PRO CD . 51052 1 433 . 1 . 1 56 56 VAL H H 1 7.731 0.004 . 1 . . . . . 68 VAL H . 51052 1 434 . 1 . 1 56 56 VAL HB H 1 2.667 0.000 . 1 . . . . . 68 VAL HB . 51052 1 435 . 1 . 1 56 56 VAL HG11 H 1 0.876 0.002 . 1 . . . . . 68 VAL HG11 . 51052 1 436 . 1 . 1 56 56 VAL HG12 H 1 0.876 0.002 . 1 . . . . . 68 VAL HG12 . 51052 1 437 . 1 . 1 56 56 VAL HG13 H 1 0.876 0.002 . 1 . . . . . 68 VAL HG13 . 51052 1 438 . 1 . 1 56 56 VAL HG21 H 1 0.868 0.005 . 1 . . . . . 68 VAL HG21 . 51052 1 439 . 1 . 1 56 56 VAL HG22 H 1 0.868 0.005 . 1 . . . . . 68 VAL HG22 . 51052 1 440 . 1 . 1 56 56 VAL HG23 H 1 0.868 0.005 . 1 . . . . . 68 VAL HG23 . 51052 1 441 . 1 . 1 56 56 VAL CA C 13 59.050 0.000 . 1 . . . . . 68 VAL CA . 51052 1 442 . 1 . 1 56 56 VAL CB C 13 31.073 0.038 . 1 . . . . . 68 VAL CB . 51052 1 443 . 1 . 1 56 56 VAL CG1 C 13 19.068 0.012 . 1 . . . . . 68 VAL CG1 . 51052 1 444 . 1 . 1 56 56 VAL CG2 C 13 21.777 0.070 . 1 . . . . . 68 VAL CG2 . 51052 1 445 . 1 . 1 56 56 VAL N N 15 105.688 0.029 . 1 . . . . . 68 VAL N . 51052 1 446 . 1 . 1 57 57 SER H H 1 7.867 0.010 . 1 . . . . . 69 SER H . 51052 1 447 . 1 . 1 57 57 SER N N 15 118.079 0.000 . 1 . . . . . 69 SER N . 51052 1 448 . 1 . 1 58 58 GLU H H 1 9.315 0.000 . 1 . . . . . 70 GLU H . 51052 1 449 . 1 . 1 58 58 GLU N N 15 121.019 0.000 . 1 . . . . . 70 GLU N . 51052 1 450 . 1 . 1 59 59 LEU H H 1 7.664 0.000 . 1 . . . . . 71 LEU H . 51052 1 451 . 1 . 1 59 59 LEU N N 15 117.890 0.000 . 1 . . . . . 71 LEU N . 51052 1 452 . 1 . 1 60 60 LEU H H 1 7.441 0.000 . 1 . . . . . 72 LEU H . 51052 1 453 . 1 . 1 60 60 LEU HD11 H 1 0.653 0.000 . 1 . . . . . 72 LEU HD11 . 51052 1 454 . 1 . 1 60 60 LEU HD12 H 1 0.653 0.000 . 1 . . . . . 72 LEU HD12 . 51052 1 455 . 1 . 1 60 60 LEU HD13 H 1 0.653 0.000 . 1 . . . . . 72 LEU HD13 . 51052 1 456 . 1 . 1 60 60 LEU CD1 C 13 27.051 0.000 . 1 . . . . . 72 LEU CD1 . 51052 1 457 . 1 . 1 60 60 LEU N N 15 116.555 0.000 . 1 . . . . . 72 LEU N . 51052 1 458 . 1 . 1 61 61 THR H H 1 7.878 0.003 . 1 . . . . . 73 THR H . 51052 1 459 . 1 . 1 61 61 THR HA H 1 4.124 0.001 . 1 . . . . . 73 THR HA . 51052 1 460 . 1 . 1 61 61 THR HG21 H 1 1.291 0.001 . 1 . . . . . 73 THR HG21 . 51052 1 461 . 1 . 1 61 61 THR HG22 H 1 1.291 0.001 . 1 . . . . . 73 THR HG22 . 51052 1 462 . 1 . 1 61 61 THR HG23 H 1 1.291 0.001 . 1 . . . . . 73 THR HG23 . 51052 1 463 . 1 . 1 61 61 THR CA C 13 68.209 0.000 . 1 . . . . . 73 THR CA . 51052 1 464 . 1 . 1 61 61 THR CG2 C 13 22.587 0.000 . 1 . . . . . 73 THR CG2 . 51052 1 465 . 1 . 1 61 61 THR N N 15 117.075 0.019 . 1 . . . . . 73 THR N . 51052 1 466 . 1 . 1 62 62 PRO HA H 1 4.491 0.002 . 1 . . . . . 74 PRO HA . 51052 1 467 . 1 . 1 62 62 PRO HD2 H 1 3.365 0.000 . 1 . . . . . 74 PRO HD2 . 51052 1 468 . 1 . 1 62 62 PRO HD3 H 1 2.860 0.000 . 1 . . . . . 74 PRO HD3 . 51052 1 469 . 1 . 1 62 62 PRO CA C 13 65.380 0.004 . 1 . . . . . 74 PRO CA . 51052 1 470 . 1 . 1 62 62 PRO CD C 13 49.697 0.002 . 1 . . . . . 74 PRO CD . 51052 1 471 . 1 . 1 63 63 LEU H H 1 7.236 0.007 . 1 . . . . . 75 LEU H . 51052 1 472 . 1 . 1 63 63 LEU HA H 1 4.396 0.004 . 1 . . . . . 75 LEU HA . 51052 1 473 . 1 . 1 63 63 LEU HB2 H 1 1.935 0.016 . 1 . . . . . 75 LEU HB2 . 51052 1 474 . 1 . 1 63 63 LEU HB3 H 1 1.702 0.012 . 1 . . . . . 75 LEU HB3 . 51052 1 475 . 1 . 1 63 63 LEU HD11 H 1 0.890 0.004 . 1 . . . . . 75 LEU HD11 . 51052 1 476 . 1 . 1 63 63 LEU HD12 H 1 0.890 0.004 . 1 . . . . . 75 LEU HD12 . 51052 1 477 . 1 . 1 63 63 LEU HD13 H 1 0.890 0.004 . 1 . . . . . 75 LEU HD13 . 51052 1 478 . 1 . 1 63 63 LEU HD21 H 1 0.858 0.000 . 1 . . . . . 75 LEU HD21 . 51052 1 479 . 1 . 1 63 63 LEU HD22 H 1 0.858 0.000 . 1 . . . . . 75 LEU HD22 . 51052 1 480 . 1 . 1 63 63 LEU HD23 H 1 0.858 0.000 . 1 . . . . . 75 LEU HD23 . 51052 1 481 . 1 . 1 63 63 LEU CA C 13 54.618 0.125 . 1 . . . . . 75 LEU CA . 51052 1 482 . 1 . 1 63 63 LEU CB C 13 41.609 0.072 . 1 . . . . . 75 LEU CB . 51052 1 483 . 1 . 1 63 63 LEU CG C 13 26.379 0.025 . 1 . . . . . 75 LEU CG . 51052 1 484 . 1 . 1 63 63 LEU CD1 C 13 26.248 0.049 . 1 . . . . . 75 LEU CD1 . 51052 1 485 . 1 . 1 63 63 LEU CD2 C 13 22.984 0.049 . 1 . . . . . 75 LEU CD2 . 51052 1 486 . 1 . 1 63 63 LEU N N 15 114.907 0.056 . 1 . . . . . 75 LEU N . 51052 1 487 . 1 . 1 64 64 GLY H H 1 8.133 0.003 . 1 . . . . . 76 GLY H . 51052 1 488 . 1 . 1 64 64 GLY HA2 H 1 4.268 0.003 . 1 . . . . . 76 GLY HA2 . 51052 1 489 . 1 . 1 64 64 GLY CA C 13 45.197 0.086 . 1 . . . . . 76 GLY CA . 51052 1 490 . 1 . 1 64 64 GLY N N 15 105.959 0.014 . 1 . . . . . 76 GLY N . 51052 1 491 . 1 . 1 65 65 ILE H H 1 6.974 0.009 . 1 . . . . . 77 ILE H . 51052 1 492 . 1 . 1 65 65 ILE HA H 1 3.742 0.014 . 1 . . . . . 77 ILE HA . 51052 1 493 . 1 . 1 65 65 ILE HB H 1 1.283 0.007 . 1 . . . . . 77 ILE HB . 51052 1 494 . 1 . 1 65 65 ILE HG12 H 1 0.898 0.004 . 1 . . . . . 77 ILE HG12 . 51052 1 495 . 1 . 1 65 65 ILE HG13 H 1 1.271 0.000 . 1 . . . . . 77 ILE HG13 . 51052 1 496 . 1 . 1 65 65 ILE HG21 H 1 0.619 0.001 . 1 . . . . . 77 ILE HG21 . 51052 1 497 . 1 . 1 65 65 ILE HG22 H 1 0.619 0.001 . 1 . . . . . 77 ILE HG22 . 51052 1 498 . 1 . 1 65 65 ILE HG23 H 1 0.619 0.001 . 1 . . . . . 77 ILE HG23 . 51052 1 499 . 1 . 1 65 65 ILE HD11 H 1 -0.465 0.006 . 1 . . . . . 77 ILE HD11 . 51052 1 500 . 1 . 1 65 65 ILE HD12 H 1 -0.465 0.006 . 1 . . . . . 77 ILE HD12 . 51052 1 501 . 1 . 1 65 65 ILE HD13 H 1 -0.465 0.006 . 1 . . . . . 77 ILE HD13 . 51052 1 502 . 1 . 1 65 65 ILE CA C 13 61.551 0.087 . 1 . . . . . 77 ILE CA . 51052 1 503 . 1 . 1 65 65 ILE CB C 13 38.521 0.066 . 1 . . . . . 77 ILE CB . 51052 1 504 . 1 . 1 65 65 ILE CG1 C 13 27.223 0.047 . 1 . . . . . 77 ILE CG1 . 51052 1 505 . 1 . 1 65 65 ILE CG2 C 13 13.806 0.036 . 1 . . . . . 77 ILE CG2 . 51052 1 506 . 1 . 1 65 65 ILE CD1 C 13 13.987 0.028 . 1 . . . . . 77 ILE CD1 . 51052 1 507 . 1 . 1 65 65 ILE N N 15 121.494 0.059 . 1 . . . . . 77 ILE N . 51052 1 508 . 1 . 1 66 66 ASP H H 1 8.257 0.002 . 1 . . . . . 78 ASP H . 51052 1 509 . 1 . 1 66 66 ASP HA H 1 4.667 0.002 . 1 . . . . . 78 ASP HA . 51052 1 510 . 1 . 1 66 66 ASP HB2 H 1 2.427 0.003 . 1 . . . . . 78 ASP HB2 . 51052 1 511 . 1 . 1 66 66 ASP HB3 H 1 2.974 0.014 . 1 . . . . . 78 ASP HB3 . 51052 1 512 . 1 . 1 66 66 ASP CA C 13 51.629 0.067 . 1 . . . . . 78 ASP CA . 51052 1 513 . 1 . 1 66 66 ASP CB C 13 42.216 0.027 . 1 . . . . . 78 ASP CB . 51052 1 514 . 1 . 1 66 66 ASP N N 15 127.926 0.034 . 1 . . . . . 78 ASP N . 51052 1 515 . 1 . 1 67 67 LEU H H 1 8.899 0.009 . 1 . . . . . 79 LEU H . 51052 1 516 . 1 . 1 67 67 LEU HA H 1 3.867 0.006 . 1 . . . . . 79 LEU HA . 51052 1 517 . 1 . 1 67 67 LEU HB2 H 1 1.769 0.008 . 1 . . . . . 79 LEU HB2 . 51052 1 518 . 1 . 1 67 67 LEU HG H 1 1.828 0.000 . 1 . . . . . 79 LEU HG . 51052 1 519 . 1 . 1 67 67 LEU HD11 H 1 0.733 0.003 . 1 . . . . . 79 LEU HD11 . 51052 1 520 . 1 . 1 67 67 LEU HD12 H 1 0.733 0.003 . 1 . . . . . 79 LEU HD12 . 51052 1 521 . 1 . 1 67 67 LEU HD13 H 1 0.733 0.003 . 1 . . . . . 79 LEU HD13 . 51052 1 522 . 1 . 1 67 67 LEU HD21 H 1 0.428 0.002 . 1 . . . . . 79 LEU HD21 . 51052 1 523 . 1 . 1 67 67 LEU HD22 H 1 0.428 0.002 . 1 . . . . . 79 LEU HD22 . 51052 1 524 . 1 . 1 67 67 LEU HD23 H 1 0.428 0.002 . 1 . . . . . 79 LEU HD23 . 51052 1 525 . 1 . 1 67 67 LEU CA C 13 57.440 0.072 . 1 . . . . . 79 LEU CA . 51052 1 526 . 1 . 1 67 67 LEU CB C 13 40.874 0.069 . 1 . . . . . 79 LEU CB . 51052 1 527 . 1 . 1 67 67 LEU CG C 13 25.821 0.073 . 1 . . . . . 79 LEU CG . 51052 1 528 . 1 . 1 67 67 LEU CD1 C 13 25.593 0.057 . 1 . . . . . 79 LEU CD1 . 51052 1 529 . 1 . 1 67 67 LEU CD2 C 13 22.316 0.032 . 1 . . . . . 79 LEU CD2 . 51052 1 530 . 1 . 1 67 67 LEU N N 15 124.675 0.056 . 1 . . . . . 79 LEU N . 51052 1 531 . 1 . 1 68 68 ASP H H 1 8.455 0.000 . 1 . . . . . 80 ASP H . 51052 1 532 . 1 . 1 68 68 ASP HA H 1 4.496 0.002 . 1 . . . . . 80 ASP HA . 51052 1 533 . 1 . 1 68 68 ASP HB2 H 1 2.946 0.000 . 1 . . . . . 80 ASP HB2 . 51052 1 534 . 1 . 1 68 68 ASP HB3 H 1 2.646 0.005 . 1 . . . . . 80 ASP HB3 . 51052 1 535 . 1 . 1 68 68 ASP CA C 13 57.919 0.053 . 1 . . . . . 80 ASP CA . 51052 1 536 . 1 . 1 68 68 ASP CB C 13 39.850 0.085 . 1 . . . . . 80 ASP CB . 51052 1 537 . 1 . 1 68 68 ASP N N 15 121.340 0.000 . 1 . . . . . 80 ASP N . 51052 1 538 . 1 . 1 69 69 GLU H H 1 7.656 0.004 . 1 . . . . . 81 GLU H . 51052 1 539 . 1 . 1 69 69 GLU HA H 1 4.138 0.003 . 1 . . . . . 81 GLU HA . 51052 1 540 . 1 . 1 69 69 GLU HG2 H 1 2.206 0.012 . 1 . . . . . 81 GLU HG2 . 51052 1 541 . 1 . 1 69 69 GLU CA C 13 59.368 0.045 . 1 . . . . . 81 GLU CA . 51052 1 542 . 1 . 1 69 69 GLU CB C 13 29.306 0.000 . 1 . . . . . 81 GLU CB . 51052 1 543 . 1 . 1 69 69 GLU CG C 13 36.332 0.028 . 1 . . . . . 81 GLU CG . 51052 1 544 . 1 . 1 69 69 GLU N N 15 121.652 0.043 . 1 . . . . . 81 GLU N . 51052 1 545 . 1 . 1 70 70 TRP H H 1 9.541 0.585 . 1 . . . . . 82 TRP H . 51052 1 546 . 1 . 1 70 70 TRP HA H 1 4.262 0.004 . 1 . . . . . 82 TRP HA . 51052 1 547 . 1 . 1 70 70 TRP CA C 13 61.567 0.008 . 1 . . . . . 82 TRP CA . 51052 1 548 . 1 . 1 70 70 TRP N N 15 120.212 0.000 . 1 . . . . . 82 TRP N . 51052 1 549 . 1 . 1 70 70 TRP NE1 N 15 128.550 0.000 . 1 . . . . . 82 TRP NE1 . 51052 1 550 . 1 . 1 71 71 SER H H 1 8.592 0.004 . 1 . . . . . 83 SER H . 51052 1 551 . 1 . 1 71 71 SER HA H 1 4.555 0.000 . 1 . . . . . 83 SER HA . 51052 1 552 . 1 . 1 71 71 SER HB2 H 1 4.189 0.004 . 1 . . . . . 83 SER HB2 . 51052 1 553 . 1 . 1 71 71 SER CA C 13 61.471 0.000 . 1 . . . . . 83 SER CA . 51052 1 554 . 1 . 1 71 71 SER CB C 13 63.190 0.062 . 1 . . . . . 83 SER CB . 51052 1 555 . 1 . 1 71 71 SER N N 15 117.312 0.046 . 1 . . . . . 83 SER N . 51052 1 556 . 1 . 1 72 72 MET H H 1 7.243 0.004 . 1 . . . . . 84 MET H . 51052 1 557 . 1 . 1 72 72 MET HA H 1 4.751 0.000 . 1 . . . . . 84 MET HA . 51052 1 558 . 1 . 1 72 72 MET HB2 H 1 2.085 0.009 . 1 . . . . . 84 MET HB2 . 51052 1 559 . 1 . 1 72 72 MET HB3 H 1 2.073 0.007 . 1 . . . . . 84 MET HB3 . 51052 1 560 . 1 . 1 72 72 MET HG2 H 1 2.732 0.003 . 1 . . . . . 84 MET HG2 . 51052 1 561 . 1 . 1 72 72 MET HG3 H 1 2.626 0.005 . 1 . . . . . 84 MET HG3 . 51052 1 562 . 1 . 1 72 72 MET CA C 13 54.288 0.013 . 1 . . . . . 84 MET CA . 51052 1 563 . 1 . 1 72 72 MET CB C 13 33.735 0.093 . 1 . . . . . 84 MET CB . 51052 1 564 . 1 . 1 72 72 MET CG C 13 32.052 0.035 . 1 . . . . . 84 MET CG . 51052 1 565 . 1 . 1 72 72 MET N N 15 118.034 0.036 . 1 . . . . . 84 MET N . 51052 1 566 . 1 . 1 73 73 ALA H H 1 7.133 0.002 . 1 . . . . . 85 ALA H . 51052 1 567 . 1 . 1 73 73 ALA HA H 1 4.378 0.003 . 1 . . . . . 85 ALA HA . 51052 1 568 . 1 . 1 73 73 ALA HB1 H 1 1.105 0.005 . 1 . . . . . 85 ALA HB1 . 51052 1 569 . 1 . 1 73 73 ALA HB2 H 1 1.105 0.005 . 1 . . . . . 85 ALA HB2 . 51052 1 570 . 1 . 1 73 73 ALA HB3 H 1 1.105 0.005 . 1 . . . . . 85 ALA HB3 . 51052 1 571 . 1 . 1 73 73 ALA CA C 13 51.928 0.051 . 1 . . . . . 85 ALA CA . 51052 1 572 . 1 . 1 73 73 ALA CB C 13 19.960 0.000 . 1 . . . . . 85 ALA CB . 51052 1 573 . 1 . 1 73 73 ALA N N 15 123.003 0.000 . 1 . . . . . 85 ALA N . 51052 1 574 . 1 . 1 74 74 THR H H 1 7.836 0.006 . 1 . . . . . 86 THR H . 51052 1 575 . 1 . 1 74 74 THR HA H 1 4.200 0.003 . 1 . . . . . 86 THR HA . 51052 1 576 . 1 . 1 74 74 THR HB H 1 3.726 0.006 . 1 . . . . . 86 THR HB . 51052 1 577 . 1 . 1 74 74 THR CA C 13 63.429 0.040 . 1 . . . . . 86 THR CA . 51052 1 578 . 1 . 1 74 74 THR CB C 13 69.474 0.034 . 1 . . . . . 86 THR CB . 51052 1 579 . 1 . 1 74 74 THR N N 15 116.349 0.015 . 1 . . . . . 86 THR N . 51052 1 580 . 1 . 1 75 75 TYR H H 1 8.489 0.000 . 1 . . . . . 87 TYR H . 51052 1 581 . 1 . 1 75 75 TYR N N 15 127.056 0.000 . 1 . . . . . 87 TYR N . 51052 1 582 . 1 . 1 76 76 TYR H H 1 8.776 0.000 . 1 . . . . . 88 TYR H . 51052 1 583 . 1 . 1 76 76 TYR HA H 1 4.493 0.000 . 1 . . . . . 88 TYR HA . 51052 1 584 . 1 . 1 76 76 TYR N N 15 121.888 0.000 . 1 . . . . . 88 TYR N . 51052 1 585 . 1 . 1 77 77 LEU H H 1 8.446 0.004 . 1 . . . . . 89 LEU H . 51052 1 586 . 1 . 1 77 77 LEU HA H 1 5.487 0.015 . 1 . . . . . 89 LEU HA . 51052 1 587 . 1 . 1 77 77 LEU HB2 H 1 1.197 0.007 . 1 . . . . . 89 LEU HB2 . 51052 1 588 . 1 . 1 77 77 LEU HB3 H 1 1.437 0.005 . 1 . . . . . 89 LEU HB3 . 51052 1 589 . 1 . 1 77 77 LEU HG H 1 1.226 0.003 . 1 . . . . . 89 LEU HG . 51052 1 590 . 1 . 1 77 77 LEU HD11 H 1 0.226 0.004 . 1 . . . . . 89 LEU HD11 . 51052 1 591 . 1 . 1 77 77 LEU HD12 H 1 0.226 0.004 . 1 . . . . . 89 LEU HD12 . 51052 1 592 . 1 . 1 77 77 LEU HD13 H 1 0.226 0.004 . 1 . . . . . 89 LEU HD13 . 51052 1 593 . 1 . 1 77 77 LEU HD21 H 1 0.401 0.002 . 1 . . . . . 89 LEU HD21 . 51052 1 594 . 1 . 1 77 77 LEU HD22 H 1 0.401 0.002 . 1 . . . . . 89 LEU HD22 . 51052 1 595 . 1 . 1 77 77 LEU HD23 H 1 0.401 0.002 . 1 . . . . . 89 LEU HD23 . 51052 1 596 . 1 . 1 77 77 LEU CA C 13 52.036 0.083 . 1 . . . . . 89 LEU CA . 51052 1 597 . 1 . 1 77 77 LEU CB C 13 45.889 0.129 . 1 . . . . . 89 LEU CB . 51052 1 598 . 1 . 1 77 77 LEU CG C 13 27.123 0.084 . 1 . . . . . 89 LEU CG . 51052 1 599 . 1 . 1 77 77 LEU CD1 C 13 26.315 0.059 . 1 . . . . . 89 LEU CD1 . 51052 1 600 . 1 . 1 77 77 LEU CD2 C 13 24.927 0.026 . 1 . . . . . 89 LEU CD2 . 51052 1 601 . 1 . 1 77 77 LEU N N 15 122.906 0.031 . 1 . . . . . 89 LEU N . 51052 1 602 . 1 . 1 78 78 PHE H H 1 7.634 0.000 . 1 . . . . . 90 PHE H . 51052 1 603 . 1 . 1 78 78 PHE HA H 1 5.162 0.001 . 1 . . . . . 90 PHE HA . 51052 1 604 . 1 . 1 78 78 PHE HB2 H 1 2.778 0.000 . 1 . . . . . 90 PHE HB2 . 51052 1 605 . 1 . 1 78 78 PHE CA C 13 54.473 0.046 . 1 . . . . . 90 PHE CA . 51052 1 606 . 1 . 1 78 78 PHE CB C 13 40.461 0.054 . 1 . . . . . 90 PHE CB . 51052 1 607 . 1 . 1 78 78 PHE N N 15 113.211 0.000 . 1 . . . . . 90 PHE N . 51052 1 608 . 1 . 1 79 79 ASP H H 1 9.161 0.006 . 1 . . . . . 91 ASP H . 51052 1 609 . 1 . 1 79 79 ASP HA H 1 4.957 0.002 . 1 . . . . . 91 ASP HA . 51052 1 610 . 1 . 1 79 79 ASP HB2 H 1 2.729 0.000 . 1 . . . . . 91 ASP HB2 . 51052 1 611 . 1 . 1 79 79 ASP CA C 13 52.867 0.067 . 1 . . . . . 91 ASP CA . 51052 1 612 . 1 . 1 79 79 ASP CB C 13 41.833 0.000 . 1 . . . . . 91 ASP CB . 51052 1 613 . 1 . 1 79 79 ASP N N 15 120.105 0.030 . 1 . . . . . 91 ASP N . 51052 1 614 . 1 . 1 80 80 GLU H H 1 8.955 0.003 . 1 . . . . . 92 GLU H . 51052 1 615 . 1 . 1 80 80 GLU HA H 1 4.197 0.007 . 1 . . . . . 92 GLU HA . 51052 1 616 . 1 . 1 80 80 GLU HB2 H 1 2.286 0.003 . 1 . . . . . 92 GLU HB2 . 51052 1 617 . 1 . 1 80 80 GLU HG2 H 1 2.461 0.002 . 1 . . . . . 92 GLU HG2 . 51052 1 618 . 1 . 1 80 80 GLU CA C 13 59.190 0.079 . 1 . . . . . 92 GLU CA . 51052 1 619 . 1 . 1 80 80 GLU CB C 13 29.619 0.043 . 1 . . . . . 92 GLU CB . 51052 1 620 . 1 . 1 80 80 GLU CG C 13 36.250 0.122 . 1 . . . . . 92 GLU CG . 51052 1 621 . 1 . 1 80 80 GLU N N 15 115.421 0.013 . 1 . . . . . 92 GLU N . 51052 1 622 . 1 . 1 81 81 SER H H 1 8.442 0.004 . 1 . . . . . 93 SER H . 51052 1 623 . 1 . 1 81 81 SER HA H 1 4.673 0.003 . 1 . . . . . 93 SER HA . 51052 1 624 . 1 . 1 81 81 SER HB2 H 1 4.066 0.003 . 1 . . . . . 93 SER HB2 . 51052 1 625 . 1 . 1 81 81 SER CA C 13 58.097 0.055 . 1 . . . . . 93 SER CA . 51052 1 626 . 1 . 1 81 81 SER CB C 13 64.038 0.056 . 1 . . . . . 93 SER CB . 51052 1 627 . 1 . 1 81 81 SER N N 15 114.792 0.004 . 1 . . . . . 93 SER N . 51052 1 628 . 1 . 1 82 82 GLY H H 1 8.478 0.002 . 1 . . . . . 94 GLY H . 51052 1 629 . 1 . 1 82 82 GLY HA2 H 1 3.932 0.003 . 1 . . . . . 94 GLY HA2 . 51052 1 630 . 1 . 1 82 82 GLY CA C 13 45.374 0.051 . 1 . . . . . 94 GLY CA . 51052 1 631 . 1 . 1 82 82 GLY N N 15 110.230 0.015 . 1 . . . . . 94 GLY N . 51052 1 632 . 1 . 1 83 83 GLU H H 1 8.489 0.000 . 1 . . . . . 95 GLU H . 51052 1 633 . 1 . 1 83 83 GLU HA H 1 4.271 0.000 . 1 . . . . . 95 GLU HA . 51052 1 634 . 1 . 1 83 83 GLU CA C 13 55.125 0.000 . 1 . . . . . 95 GLU CA . 51052 1 635 . 1 . 1 83 83 GLU CG C 13 36.803 0.000 . 1 . . . . . 95 GLU CG . 51052 1 636 . 1 . 1 83 83 GLU N N 15 118.191 0.000 . 1 . . . . . 95 GLU N . 51052 1 637 . 1 . 1 84 84 PHE H H 1 9.122 0.003 . 1 . . . . . 96 PHE H . 51052 1 638 . 1 . 1 84 84 PHE HA H 1 5.072 0.006 . 1 . . . . . 96 PHE HA . 51052 1 639 . 1 . 1 84 84 PHE HB2 H 1 3.190 0.004 . 1 . . . . . 96 PHE HB2 . 51052 1 640 . 1 . 1 84 84 PHE CA C 13 55.533 0.087 . 1 . . . . . 96 PHE CA . 51052 1 641 . 1 . 1 84 84 PHE CB C 13 36.515 0.057 . 1 . . . . . 96 PHE CB . 51052 1 642 . 1 . 1 84 84 PHE N N 15 125.005 0.023 . 1 . . . . . 96 PHE N . 51052 1 643 . 1 . 1 85 85 LYS H H 1 7.826 0.004 . 1 . . . . . 97 LYS H . 51052 1 644 . 1 . 1 85 85 LYS HA H 1 4.557 0.005 . 1 . . . . . 97 LYS HA . 51052 1 645 . 1 . 1 85 85 LYS HB2 H 1 1.663 0.005 . 1 . . . . . 97 LYS HB2 . 51052 1 646 . 1 . 1 85 85 LYS HB3 H 1 1.762 0.002 . 1 . . . . . 97 LYS HB3 . 51052 1 647 . 1 . 1 85 85 LYS HG2 H 1 1.318 0.002 . 1 . . . . . 97 LYS HG2 . 51052 1 648 . 1 . 1 85 85 LYS HG3 H 1 1.384 0.002 . 1 . . . . . 97 LYS HG3 . 51052 1 649 . 1 . 1 85 85 LYS HD2 H 1 1.715 0.000 . 1 . . . . . 97 LYS HD2 . 51052 1 650 . 1 . 1 85 85 LYS HE2 H 1 3.012 0.008 . 1 . . . . . 97 LYS HE2 . 51052 1 651 . 1 . 1 85 85 LYS CA C 13 54.722 0.115 . 1 . . . . . 97 LYS CA . 51052 1 652 . 1 . 1 85 85 LYS CB C 13 36.258 0.063 . 1 . . . . . 97 LYS CB . 51052 1 653 . 1 . 1 85 85 LYS CG C 13 24.822 0.098 . 1 . . . . . 97 LYS CG . 51052 1 654 . 1 . 1 85 85 LYS CD C 13 29.507 0.071 . 1 . . . . . 97 LYS CD . 51052 1 655 . 1 . 1 85 85 LYS CE C 13 42.227 0.053 . 1 . . . . . 97 LYS CE . 51052 1 656 . 1 . 1 85 85 LYS N N 15 123.604 0.033 . 1 . . . . . 97 LYS N . 51052 1 657 . 1 . 1 86 86 LEU H H 1 8.462 0.000 . 1 . . . . . 98 LEU H . 51052 1 658 . 1 . 1 86 86 LEU HA H 1 4.214 0.001 . 1 . . . . . 98 LEU HA . 51052 1 659 . 1 . 1 86 86 LEU HB2 H 1 1.485 0.002 . 1 . . . . . 98 LEU HB2 . 51052 1 660 . 1 . 1 86 86 LEU HB3 H 1 1.304 0.002 . 1 . . . . . 98 LEU HB3 . 51052 1 661 . 1 . 1 86 86 LEU HG H 1 1.481 0.001 . 1 . . . . . 98 LEU HG . 51052 1 662 . 1 . 1 86 86 LEU HD11 H 1 0.666 0.000 . 1 . . . . . 98 LEU HD11 . 51052 1 663 . 1 . 1 86 86 LEU HD12 H 1 0.666 0.000 . 1 . . . . . 98 LEU HD12 . 51052 1 664 . 1 . 1 86 86 LEU HD13 H 1 0.666 0.000 . 1 . . . . . 98 LEU HD13 . 51052 1 665 . 1 . 1 86 86 LEU HD21 H 1 0.730 0.001 . 1 . . . . . 98 LEU HD21 . 51052 1 666 . 1 . 1 86 86 LEU HD22 H 1 0.730 0.001 . 1 . . . . . 98 LEU HD22 . 51052 1 667 . 1 . 1 86 86 LEU HD23 H 1 0.730 0.001 . 1 . . . . . 98 LEU HD23 . 51052 1 668 . 1 . 1 86 86 LEU CA C 13 55.625 0.099 . 1 . . . . . 98 LEU CA . 51052 1 669 . 1 . 1 86 86 LEU CB C 13 42.501 0.053 . 1 . . . . . 98 LEU CB . 51052 1 670 . 1 . 1 86 86 LEU CG C 13 27.027 0.111 . 1 . . . . . 98 LEU CG . 51052 1 671 . 1 . 1 86 86 LEU CD1 C 13 24.699 0.033 . 1 . . . . . 98 LEU CD1 . 51052 1 672 . 1 . 1 86 86 LEU CD2 C 13 24.907 0.039 . 1 . . . . . 98 LEU CD2 . 51052 1 673 . 1 . 1 86 86 LEU N N 15 121.080 0.000 . 1 . . . . . 98 LEU N . 51052 1 674 . 1 . 1 87 87 ALA H H 1 7.774 0.000 . 1 . . . . . 99 ALA H . 51052 1 675 . 1 . 1 87 87 ALA HA H 1 3.979 0.009 . 1 . . . . . 99 ALA HA . 51052 1 676 . 1 . 1 87 87 ALA HB1 H 1 1.101 0.000 . 1 . . . . . 99 ALA HB1 . 51052 1 677 . 1 . 1 87 87 ALA HB2 H 1 1.101 0.000 . 1 . . . . . 99 ALA HB2 . 51052 1 678 . 1 . 1 87 87 ALA HB3 H 1 1.101 0.000 . 1 . . . . . 99 ALA HB3 . 51052 1 679 . 1 . 1 87 87 ALA CA C 13 51.278 0.209 . 1 . . . . . 99 ALA CA . 51052 1 680 . 1 . 1 87 87 ALA CB C 13 19.957 0.163 . 1 . . . . . 99 ALA CB . 51052 1 681 . 1 . 1 87 87 ALA N N 15 127.567 0.000 . 1 . . . . . 99 ALA N . 51052 1 682 . 1 . 1 88 88 SER H H 1 8.668 0.005 . 1 . . . . . 100 SER H . 51052 1 683 . 1 . 1 88 88 SER HA H 1 4.673 0.018 . 1 . . . . . 100 SER HA . 51052 1 684 . 1 . 1 88 88 SER HB3 H 1 4.162 0.002 . 1 . . . . . 100 SER HB3 . 51052 1 685 . 1 . 1 88 88 SER CA C 13 61.212 0.000 . 1 . . . . . 100 SER CA . 51052 1 686 . 1 . 1 88 88 SER CB C 13 63.156 0.038 . 1 . . . . . 100 SER CB . 51052 1 687 . 1 . 1 88 88 SER N N 15 112.869 0.000 . 1 . . . . . 100 SER N . 51052 1 688 . 1 . 1 89 89 HIS H H 1 7.676 0.004 . 1 . . . . . 101 HIS H . 51052 1 689 . 1 . 1 89 89 HIS HA H 1 5.691 0.012 . 1 . . . . . 101 HIS HA . 51052 1 690 . 1 . 1 89 89 HIS HB2 H 1 3.026 0.000 . 1 . . . . . 101 HIS HB2 . 51052 1 691 . 1 . 1 89 89 HIS CA C 13 53.425 0.054 . 1 . . . . . 101 HIS CA . 51052 1 692 . 1 . 1 89 89 HIS CB C 13 30.667 0.017 . 1 . . . . . 101 HIS CB . 51052 1 693 . 1 . 1 89 89 HIS N N 15 118.982 0.029 . 1 . . . . . 101 HIS N . 51052 1 694 . 1 . 1 90 90 MET H H 1 8.263 0.002 . 1 . . . . . 102 MET H . 51052 1 695 . 1 . 1 90 90 MET HA H 1 4.685 0.002 . 1 . . . . . 102 MET HA . 51052 1 696 . 1 . 1 90 90 MET HB2 H 1 1.984 0.000 . 1 . . . . . 102 MET HB2 . 51052 1 697 . 1 . 1 90 90 MET CA C 13 53.878 0.052 . 1 . . . . . 102 MET CA . 51052 1 698 . 1 . 1 90 90 MET N N 15 122.740 0.028 . 1 . . . . . 102 MET N . 51052 1 699 . 1 . 1 91 91 TYR H H 1 8.845 0.000 . 1 . . . . . 103 TYR H . 51052 1 700 . 1 . 1 91 91 TYR N N 15 118.891 0.000 . 1 . . . . . 103 TYR N . 51052 1 701 . 1 . 1 92 92 CYS H H 1 7.452 0.000 . 1 . . . . . 104 CYS H . 51052 1 702 . 1 . 1 92 92 CYS HA H 1 5.434 0.000 . 1 . . . . . 104 CYS HA . 51052 1 703 . 1 . 1 92 92 CYS CA C 13 55.585 0.000 . 1 . . . . . 104 CYS CA . 51052 1 704 . 1 . 1 92 92 CYS N N 15 117.648 0.000 . 1 . . . . . 104 CYS N . 51052 1 705 . 1 . 1 93 93 SER H H 1 8.941 0.000 . 1 . . . . . 105 SER H . 51052 1 706 . 1 . 1 93 93 SER N N 15 121.230 0.000 . 1 . . . . . 105 SER N . 51052 1 707 . 1 . 1 94 94 PHE H H 1 8.427 0.007 . 1 . . . . . 106 PHE H . 51052 1 708 . 1 . 1 94 94 PHE HA H 1 4.140 0.005 . 1 . . . . . 106 PHE HA . 51052 1 709 . 1 . 1 94 94 PHE HB2 H 1 2.396 0.003 . 1 . . . . . 106 PHE HB2 . 51052 1 710 . 1 . 1 94 94 PHE HB3 H 1 2.184 0.003 . 1 . . . . . 106 PHE HB3 . 51052 1 711 . 1 . 1 94 94 PHE CA C 13 59.217 0.054 . 1 . . . . . 106 PHE CA . 51052 1 712 . 1 . 1 94 94 PHE CB C 13 36.303 0.039 . 1 . . . . . 106 PHE CB . 51052 1 713 . 1 . 1 94 94 PHE N N 15 121.879 0.000 . 1 . . . . . 106 PHE N . 51052 1 714 . 1 . 1 95 95 TYR H H 1 8.736 0.003 . 1 . . . . . 107 TYR H . 51052 1 715 . 1 . 1 95 95 TYR HA H 1 4.278 0.002 . 1 . . . . . 107 TYR HA . 51052 1 716 . 1 . 1 95 95 TYR CA C 13 55.174 0.000 . 1 . . . . . 107 TYR CA . 51052 1 717 . 1 . 1 95 95 TYR CB C 13 42.007 0.000 . 1 . . . . . 107 TYR CB . 51052 1 718 . 1 . 1 95 95 TYR N N 15 119.528 0.011 . 1 . . . . . 107 TYR N . 51052 1 719 . 1 . 1 98 98 ASP H H 1 8.045 0.003 . 1 . . . . . 110 ASP H . 51052 1 720 . 1 . 1 98 98 ASP HA H 1 4.440 0.006 . 1 . . . . . 110 ASP HA . 51052 1 721 . 1 . 1 98 98 ASP HB2 H 1 2.531 0.022 . 1 . . . . . 110 ASP HB2 . 51052 1 722 . 1 . 1 98 98 ASP HB3 H 1 2.554 0.008 . 1 . . . . . 110 ASP HB3 . 51052 1 723 . 1 . 1 98 98 ASP CA C 13 53.941 0.066 . 1 . . . . . 110 ASP CA . 51052 1 724 . 1 . 1 98 98 ASP CB C 13 41.117 0.054 . 1 . . . . . 110 ASP CB . 51052 1 725 . 1 . 1 98 98 ASP N N 15 119.317 0.005 . 1 . . . . . 110 ASP N . 51052 1 726 . 1 . 1 99 99 GLU H H 1 7.702 0.000 . 1 . . . . . 111 GLU H . 51052 1 727 . 1 . 1 99 99 GLU HA H 1 4.030 0.006 . 1 . . . . . 111 GLU HA . 51052 1 728 . 1 . 1 99 99 GLU HB2 H 1 1.975 0.008 . 1 . . . . . 111 GLU HB2 . 51052 1 729 . 1 . 1 99 99 GLU HB3 H 1 1.786 0.003 . 1 . . . . . 111 GLU HB3 . 51052 1 730 . 1 . 1 99 99 GLU HG2 H 1 2.131 0.007 . 1 . . . . . 111 GLU HG2 . 51052 1 731 . 1 . 1 99 99 GLU CA C 13 58.071 0.072 . 1 . . . . . 111 GLU CA . 51052 1 732 . 1 . 1 99 99 GLU CB C 13 31.333 0.078 . 1 . . . . . 111 GLU CB . 51052 1 733 . 1 . 1 99 99 GLU CG C 13 36.650 0.046 . 1 . . . . . 111 GLU CG . 51052 1 734 . 1 . 1 99 99 GLU N N 15 125.615 0.012 . 1 . . . . . 111 GLU N . 51052 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51052 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'N 191-263 complex' _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 . _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 13 '3D HNCA' . . . 51052 2 14 '3D HN(CO)CA' . . . 51052 2 15 '3D HNCACB' . . . 51052 2 16 '3D HN(CO)CACB' . . . 51052 2 17 '2D 1H-15N HSQC' . . . 51052 2 18 '3D HNCO' . . . 51052 2 19 '3D HN(CA)CO' . . . 51052 2 20 '2D 1H-15N HSQC' . . . 51052 2 21 '3D 1H-15N NOESY' . . . 51052 2 22 '3D HCCH-TOCSY' . . . 51052 2 23 '3D (H)CCH-TOCSY' . . . 51052 2 24 '2D 1H-13C HSQC' . . . 51052 2 25 '3D 1H-13C NOESY aliphatic' . . . 51052 2 26 '2D 1H-13C HSQC' . . . 51052 2 27 '3D HNCA' . . . 51052 2 28 '3D HN(CO)CA' . . . 51052 2 29 '2D 1H-15N HSQC' . . . 51052 2 30 '2D 1H-13C HSQC' . . . 51052 2 31 '3D 1H-13C NOESY aliphatic' . . . 51052 2 32 '3D 1H-15N TOCSY-HSQC' . . . 51052 2 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 . . 51052 2 2 $software_2 . . 51052 2 3 $software_3 . . 51052 2 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 . 3 . 3 4 4 ARG H H 1 8.319 0.003 . 1 . . . . . 191 ARG HN . 51052 2 2 . 3 . 3 4 4 ARG HA H 1 4.347 0.009 . 1 . . . . . 191 ARG HA . 51052 2 3 . 3 . 3 4 4 ARG HB3 H 1 1.779 0.001 . 1 . . . . . 191 ARG HB3 . 51052 2 4 . 3 . 3 4 4 ARG HG2 H 1 1.608 0.002 . 1 . . . . . 191 ARG HG2 . 51052 2 5 . 3 . 3 4 4 ARG HD2 H 1 3.110 0.002 . 1 . . . . . 191 ARG HD2 . 51052 2 6 . 3 . 3 4 4 ARG CA C 13 56.340 0.070 . 1 . . . . . 191 ARG CA . 51052 2 7 . 3 . 3 4 4 ARG CB C 13 30.789 0.073 . 1 . . . . . 191 ARG CB . 51052 2 8 . 3 . 3 4 4 ARG CG C 13 27.186 0.043 . 1 . . . . . 191 ARG CG . 51052 2 9 . 3 . 3 4 4 ARG CD C 13 43.323 0.038 . 1 . . . . . 191 ARG CD . 51052 2 10 . 3 . 3 4 4 ARG N N 15 122.530 0.028 . 1 . . . . . 191 ARG N . 51052 2 11 . 3 . 3 5 5 ASN H H 1 8.399 0.003 . 1 . . . . . 192 ASN HN . 51052 2 12 . 3 . 3 5 5 ASN HA H 1 4.688 0.002 . 1 . . . . . 192 ASN HA . 51052 2 13 . 3 . 3 5 5 ASN HB3 H 1 2.758 0.002 . 1 . . . . . 192 ASN HB3 . 51052 2 14 . 3 . 3 5 5 ASN CA C 13 53.431 0.107 . 1 . . . . . 192 ASN CA . 51052 2 15 . 3 . 3 5 5 ASN CB C 13 38.954 0.090 . 1 . . . . . 192 ASN CB . 51052 2 16 . 3 . 3 5 5 ASN N N 15 119.348 0.012 . 1 . . . . . 192 ASN N . 51052 2 17 . 3 . 3 6 6 SER H H 1 8.248 0.009 . 1 . . . . . 193 SER HN . 51052 2 18 . 3 . 3 6 6 SER HA H 1 4.495 0.002 . 1 . . . . . 193 SER HA . 51052 2 19 . 3 . 3 6 6 SER HB2 H 1 3.879 0.001 . 1 . . . . . 193 SER HB2 . 51052 2 20 . 3 . 3 6 6 SER CA C 13 58.461 0.063 . 1 . . . . . 193 SER CA . 51052 2 21 . 3 . 3 6 6 SER CB C 13 63.871 0.058 . 1 . . . . . 193 SER CB . 51052 2 22 . 3 . 3 6 6 SER N N 15 116.160 0.002 . 1 . . . . . 193 SER N . 51052 2 23 . 3 . 3 7 7 SER H H 1 8.230 0.003 . 1 . . . . . 194 SER HN . 51052 2 24 . 3 . 3 7 7 SER N N 15 117.756 0.020 . 1 . . . . . 194 SER N . 51052 2 25 . 3 . 3 12 12 PRO HA H 1 4.415 0.001 . 1 . . . . . 199 PRO HA . 51052 2 26 . 3 . 3 12 12 PRO HB2 H 1 1.916 0.003 . 1 . . . . . 199 PRO HB2 . 51052 2 27 . 3 . 3 12 12 PRO HG2 H 1 2.013 0.002 . 1 . . . . . 199 PRO HG2 . 51052 2 28 . 3 . 3 12 12 PRO HD2 H 1 3.674 0.001 . 1 . . . . . 199 PRO HD2 . 51052 2 29 . 3 . 3 12 12 PRO CA C 13 63.655 0.111 . 1 . . . . . 199 PRO CA . 51052 2 30 . 3 . 3 12 12 PRO CB C 13 32.113 0.115 . 1 . . . . . 199 PRO CB . 51052 2 31 . 3 . 3 12 12 PRO CG C 13 27.479 0.035 . 1 . . . . . 199 PRO CG . 51052 2 32 . 3 . 3 12 12 PRO CD C 13 50.990 0.046 . 1 . . . . . 199 PRO CD . 51052 2 33 . 3 . 3 13 13 GLY H H 1 8.581 0.001 . 1 . . . . . 200 GLY HN . 51052 2 34 . 3 . 3 13 13 GLY HA2 H 1 4.010 0.002 . 1 . . . . . 200 GLY HA2 . 51052 2 35 . 3 . 3 13 13 GLY CA C 13 45.668 0.287 . 1 . . . . . 200 GLY CA . 51052 2 36 . 3 . 3 13 13 GLY N N 15 109.854 0.017 . 1 . . . . . 200 GLY N . 51052 2 37 . 3 . 3 14 14 SER H H 1 8.140 0.004 . 1 . . . . . 201 SER HN . 51052 2 38 . 3 . 3 14 14 SER HA H 1 4.455 0.001 . 1 . . . . . 201 SER HA . 51052 2 39 . 3 . 3 14 14 SER HB2 H 1 3.923 0.002 . 1 . . . . . 201 SER HB2 . 51052 2 40 . 3 . 3 14 14 SER CA C 13 58.695 0.074 . 1 . . . . . 201 SER CA . 51052 2 41 . 3 . 3 14 14 SER CB C 13 63.895 0.049 . 1 . . . . . 201 SER CB . 51052 2 42 . 3 . 3 14 14 SER N N 15 115.378 0.017 . 1 . . . . . 201 SER N . 51052 2 43 . 3 . 3 15 15 SER H H 1 8.446 0.000 . 1 . . . . . 202 SER HN . 51052 2 44 . 3 . 3 15 15 SER HA H 1 4.443 0.016 . 1 . . . . . 202 SER HA . 51052 2 45 . 3 . 3 15 15 SER HB2 H 1 3.971 0.012 . 1 . . . . . 202 SER HB2 . 51052 2 46 . 3 . 3 15 15 SER CA C 13 58.650 0.120 . 1 . . . . . 202 SER CA . 51052 2 47 . 3 . 3 15 15 SER CB C 13 63.889 0.119 . 1 . . . . . 202 SER CB . 51052 2 48 . 3 . 3 15 15 SER N N 15 118.043 0.013 . 1 . . . . . 202 SER N . 51052 2 49 . 3 . 3 16 16 ARG H H 1 8.380 0.003 . 1 . . . . . 203 ARG HN . 51052 2 50 . 3 . 3 16 16 ARG HA H 1 4.291 0.009 . 1 . . . . . 203 ARG HA . 51052 2 51 . 3 . 3 16 16 ARG HB3 H 1 1.716 0.002 . 1 . . . . . 203 ARG HB3 . 51052 2 52 . 3 . 3 16 16 ARG HG3 H 1 1.527 0.021 . 1 . . . . . 203 ARG HG3 . 51052 2 53 . 3 . 3 16 16 ARG HD2 H 1 3.185 0.013 . 1 . . . . . 203 ARG HD2 . 51052 2 54 . 3 . 3 16 16 ARG CA C 13 56.372 0.080 . 1 . . . . . 203 ARG CA . 51052 2 55 . 3 . 3 16 16 ARG CB C 13 30.799 0.077 . 1 . . . . . 203 ARG CB . 51052 2 56 . 3 . 3 16 16 ARG CG C 13 27.249 0.118 . 1 . . . . . 203 ARG CG . 51052 2 57 . 3 . 3 16 16 ARG CD C 13 43.342 0.086 . 1 . . . . . 203 ARG CD . 51052 2 58 . 3 . 3 16 16 ARG N N 15 122.736 0.014 . 1 . . . . . 203 ARG N . 51052 2 59 . 3 . 3 17 17 GLY H H 1 8.418 0.002 . 1 . . . . . 204 GLY HN . 51052 2 60 . 3 . 3 17 17 GLY HA2 H 1 3.971 0.001 . 1 . . . . . 204 GLY HA2 . 51052 2 61 . 3 . 3 17 17 GLY CA C 13 45.640 0.336 . 1 . . . . . 204 GLY CA . 51052 2 62 . 3 . 3 17 17 GLY N N 15 109.776 0.029 . 1 . . . . . 204 GLY N . 51052 2 63 . 3 . 3 18 18 THR H H 1 8.069 0.002 . 1 . . . . . 205 THR HN . 51052 2 64 . 3 . 3 18 18 THR HA H 1 4.258 0.014 . 1 . . . . . 205 THR HA . 51052 2 65 . 3 . 3 18 18 THR HB H 1 4.042 0.000 . 1 . . . . . 205 THR HB . 51052 2 66 . 3 . 3 18 18 THR HG21 H 1 1.185 0.001 . 1 . . . . . 205 THR HG2 . 51052 2 67 . 3 . 3 18 18 THR HG22 H 1 1.185 0.001 . 1 . . . . . 205 THR HG2 . 51052 2 68 . 3 . 3 18 18 THR HG23 H 1 1.185 0.001 . 1 . . . . . 205 THR HG2 . 51052 2 69 . 3 . 3 18 18 THR CA C 13 61.821 0.184 . 1 . . . . . 205 THR CA . 51052 2 70 . 3 . 3 18 18 THR CB C 13 69.409 0.327 . 1 . . . . . 205 THR CB . 51052 2 71 . 3 . 3 18 18 THR CG2 C 13 21.645 0.088 . 1 . . . . . 205 THR CG2 . 51052 2 72 . 3 . 3 18 18 THR N N 15 113.209 0.034 . 1 . . . . . 205 THR N . 51052 2 73 . 3 . 3 19 19 SER H H 1 8.361 0.002 . 1 . . . . . 206 SER HN . 51052 2 74 . 3 . 3 19 19 SER HB2 H 1 3.879 0.002 . 1 . . . . . 206 SER HB2 . 51052 2 75 . 3 . 3 19 19 SER CA C 13 56.492 0.000 . 1 . . . . . 206 SER CA . 51052 2 76 . 3 . 3 19 19 SER CB C 13 63.681 0.165 . 1 . . . . . 206 SER CB . 51052 2 77 . 3 . 3 19 19 SER N N 15 119.430 0.015 . 1 . . . . . 206 SER N . 51052 2 78 . 3 . 3 20 20 PRO HA H 1 4.453 0.000 . 1 . . . . . 207 PRO HA . 51052 2 79 . 3 . 3 20 20 PRO HB2 H 1 1.917 0.000 . 1 . . . . . 207 PRO HB2 . 51052 2 80 . 3 . 3 20 20 PRO HG3 H 1 1.936 0.000 . 1 . . . . . 207 PRO HG3 . 51052 2 81 . 3 . 3 20 20 PRO HD2 H 1 3.722 0.000 . 1 . . . . . 207 PRO HD2 . 51052 2 82 . 3 . 3 20 20 PRO CA C 13 63.392 0.011 . 1 . . . . . 207 PRO CA . 51052 2 83 . 3 . 3 20 20 PRO CB C 13 31.922 0.025 . 1 . . . . . 207 PRO CB . 51052 2 84 . 3 . 3 20 20 PRO CG C 13 27.305 0.068 . 1 . . . . . 207 PRO CG . 51052 2 85 . 3 . 3 20 20 PRO CD C 13 50.760 0.030 . 1 . . . . . 207 PRO CD . 51052 2 86 . 3 . 3 21 21 ALA H H 1 8.303 0.002 . 1 . . . . . 208 ALA HN . 51052 2 87 . 3 . 3 21 21 ALA HA H 1 4.292 0.001 . 1 . . . . . 208 ALA HA . 51052 2 88 . 3 . 3 21 21 ALA HB1 H 1 1.385 0.000 . 1 . . . . . 208 ALA HB . 51052 2 89 . 3 . 3 21 21 ALA HB2 H 1 1.385 0.000 . 1 . . . . . 208 ALA HB . 51052 2 90 . 3 . 3 21 21 ALA HB3 H 1 1.385 0.000 . 1 . . . . . 208 ALA HB . 51052 2 91 . 3 . 3 21 21 ALA CA C 13 52.789 0.063 . 1 . . . . . 208 ALA CA . 51052 2 92 . 3 . 3 21 21 ALA CB C 13 19.204 0.074 . 1 . . . . . 208 ALA CB . 51052 2 93 . 3 . 3 21 21 ALA N N 15 123.518 0.010 . 1 . . . . . 208 ALA N . 51052 2 94 . 3 . 3 22 22 ARG H H 1 8.234 0.001 . 1 . . . . . 209 ARG HN . 51052 2 95 . 3 . 3 22 22 ARG HB2 H 1 1.874 0.002 . 1 . . . . . 209 ARG HB2 . 51052 2 96 . 3 . 3 22 22 ARG HD2 H 1 3.311 0.006 . 1 . . . . . 209 ARG HD2 . 51052 2 97 . 3 . 3 22 22 ARG CA C 13 56.289 0.091 . 1 . . . . . 209 ARG CA . 51052 2 98 . 3 . 3 22 22 ARG CB C 13 30.720 0.076 . 1 . . . . . 209 ARG CB . 51052 2 99 . 3 . 3 22 22 ARG CG C 13 27.291 0.156 . 1 . . . . . 209 ARG CG . 51052 2 100 . 3 . 3 22 22 ARG CD C 13 43.396 0.040 . 1 . . . . . 209 ARG CD . 51052 2 101 . 3 . 3 22 22 ARG N N 15 119.754 0.005 . 1 . . . . . 209 ARG N . 51052 2 102 . 3 . 3 23 23 MET H H 1 8.346 0.005 . 1 . . . . . 210 MET HN . 51052 2 103 . 3 . 3 23 23 MET HA H 1 4.470 0.000 . 1 . . . . . 210 MET HA . 51052 2 104 . 3 . 3 23 23 MET HG2 H 1 2.545 0.000 . 1 . . . . . 210 MET HG2 . 51052 2 105 . 3 . 3 23 23 MET CA C 13 55.553 0.039 . 1 . . . . . 210 MET CA . 51052 2 106 . 3 . 3 23 23 MET CG C 13 32.200 0.140 . 1 . . . . . 210 MET CG . 51052 2 107 . 3 . 3 23 23 MET N N 15 121.351 0.048 . 1 . . . . . 210 MET N . 51052 2 108 . 3 . 3 24 24 ALA H H 1 8.333 0.001 . 1 . . . . . 211 ALA HN . 51052 2 109 . 3 . 3 24 24 ALA HA H 1 4.358 0.003 . 1 . . . . . 211 ALA HA . 51052 2 110 . 3 . 3 24 24 ALA HB1 H 1 1.541 0.000 . 1 . . . . . 211 ALA HB . 51052 2 111 . 3 . 3 24 24 ALA HB2 H 1 1.541 0.000 . 1 . . . . . 211 ALA HB . 51052 2 112 . 3 . 3 24 24 ALA HB3 H 1 1.541 0.000 . 1 . . . . . 211 ALA HB . 51052 2 113 . 3 . 3 24 24 ALA CA C 13 52.664 0.075 . 1 . . . . . 211 ALA CA . 51052 2 114 . 3 . 3 24 24 ALA CB C 13 18.898 0.551 . 1 . . . . . 211 ALA CB . 51052 2 115 . 3 . 3 24 24 ALA N N 15 125.043 0.023 . 1 . . . . . 211 ALA N . 51052 2 116 . 3 . 3 25 25 GLY H H 1 8.438 0.001 . 1 . . . . . 212 GLY HN . 51052 2 117 . 3 . 3 25 25 GLY HA2 H 1 4.016 0.004 . 1 . . . . . 212 GLY HA2 . 51052 2 118 . 3 . 3 25 25 GLY CA C 13 45.813 0.323 . 1 . . . . . 212 GLY CA . 51052 2 119 . 3 . 3 25 25 GLY N N 15 108.272 0.021 . 1 . . . . . 212 GLY N . 51052 2 120 . 3 . 3 26 26 ASN H H 1 8.439 0.000 . 1 . . . . . 213 ASN HN . 51052 2 121 . 3 . 3 26 26 ASN HB2 H 1 2.852 0.001 . 1 . . . . . 213 ASN HB2 . 51052 2 122 . 3 . 3 26 26 ASN CA C 13 53.330 0.040 . 1 . . . . . 213 ASN CA . 51052 2 123 . 3 . 3 26 26 ASN CB C 13 39.086 0.126 . 1 . . . . . 213 ASN CB . 51052 2 124 . 3 . 3 26 26 ASN N N 15 118.695 0.005 . 1 . . . . . 213 ASN N . 51052 2 125 . 3 . 3 27 27 GLY H H 1 8.613 0.000 . 1 . . . . . 214 GLY HN . 51052 2 126 . 3 . 3 27 27 GLY HA2 H 1 3.977 0.035 . 1 . . . . . 214 GLY HA2 . 51052 2 127 . 3 . 3 27 27 GLY CA C 13 45.495 0.022 . 1 . . . . . 214 GLY CA . 51052 2 128 . 3 . 3 27 27 GLY N N 15 109.626 0.017 . 1 . . . . . 214 GLY N . 51052 2 129 . 3 . 3 28 28 GLY H H 1 8.405 0.004 . 1 . . . . . 215 GLY HN . 51052 2 130 . 3 . 3 28 28 GLY CA C 13 45.475 0.000 . 1 . . . . . 215 GLY CA . 51052 2 131 . 3 . 3 28 28 GLY N N 15 109.044 0.046 . 1 . . . . . 215 GLY N . 51052 2 132 . 3 . 3 29 29 ASP H H 1 8.357 0.008 . 1 . . . . . 216 ASP HN . 51052 2 133 . 3 . 3 29 29 ASP HA H 1 4.578 0.004 . 1 . . . . . 216 ASP HA . 51052 2 134 . 3 . 3 29 29 ASP HB2 H 1 2.717 0.001 . 1 . . . . . 216 ASP HB2 . 51052 2 135 . 3 . 3 29 29 ASP CA C 13 54.696 0.021 . 1 . . . . . 216 ASP CA . 51052 2 136 . 3 . 3 29 29 ASP CB C 13 41.187 0.103 . 1 . . . . . 216 ASP CB . 51052 2 137 . 3 . 3 29 29 ASP N N 15 121.313 0.006 . 1 . . . . . 216 ASP N . 51052 2 138 . 3 . 3 30 30 ALA H H 1 8.366 0.003 . 1 . . . . . 217 ALA HN . 51052 2 139 . 3 . 3 30 30 ALA HA H 1 4.357 0.000 . 1 . . . . . 217 ALA HA . 51052 2 140 . 3 . 3 30 30 ALA HB1 H 1 1.859 0.519 . 1 . . . . . 217 ALA HB . 51052 2 141 . 3 . 3 30 30 ALA HB2 H 1 1.859 0.519 . 1 . . . . . 217 ALA HB . 51052 2 142 . 3 . 3 30 30 ALA HB3 H 1 1.859 0.519 . 1 . . . . . 217 ALA HB . 51052 2 143 . 3 . 3 30 30 ALA CA C 13 52.711 0.000 . 1 . . . . . 217 ALA CA . 51052 2 144 . 3 . 3 30 30 ALA CB C 13 18.527 0.114 . 1 . . . . . 217 ALA CB . 51052 2 145 . 3 . 3 30 30 ALA N N 15 124.313 0.017 . 1 . . . . . 217 ALA N . 51052 2 146 . 3 . 3 31 31 ALA H H 1 8.018 0.000 . 1 . . . . . 218 ALA HN . 51052 2 147 . 3 . 3 31 31 ALA N N 15 120.734 0.022 . 1 . . . . . 218 ALA N . 51052 2 148 . 3 . 3 32 32 LEU H H 1 8.166 0.000 . 1 . . . . . 219 LEU HN . 51052 2 149 . 3 . 3 32 32 LEU N N 15 120.306 0.000 . 1 . . . . . 219 LEU N . 51052 2 150 . 3 . 3 33 33 ALA H H 1 7.625 0.000 . 1 . . . . . 220 ALA HN . 51052 2 151 . 3 . 3 33 33 ALA N N 15 115.281 0.000 . 1 . . . . . 220 ALA N . 51052 2 152 . 3 . 3 34 34 LEU H H 1 7.766 0.000 . 1 . . . . . 221 LEU HN . 51052 2 153 . 3 . 3 34 34 LEU N N 15 122.076 0.000 . 1 . . . . . 221 LEU N . 51052 2 154 . 3 . 3 35 35 LEU H H 1 8.469 0.000 . 1 . . . . . 222 LEU HN . 51052 2 155 . 3 . 3 35 35 LEU N N 15 119.276 0.000 . 1 . . . . . 222 LEU N . 51052 2 156 . 3 . 3 36 36 LEU H H 1 8.446 0.000 . 1 . . . . . 223 LEU HN . 51052 2 157 . 3 . 3 36 36 LEU N N 15 119.100 0.000 . 1 . . . . . 223 LEU N . 51052 2 158 . 3 . 3 37 37 LEU H H 1 8.070 0.000 . 1 . . . . . 224 LEU HN . 51052 2 159 . 3 . 3 37 37 LEU N N 15 119.034 0.000 . 1 . . . . . 224 LEU N . 51052 2 160 . 3 . 3 38 38 ASP H H 1 8.020 0.000 . 1 . . . . . 225 ASP HN . 51052 2 161 . 3 . 3 38 38 ASP N N 15 118.614 0.000 . 1 . . . . . 225 ASP N . 51052 2 162 . 3 . 3 39 39 ARG H H 1 8.587 0.000 . 1 . . . . . 226 ARG HN . 51052 2 163 . 3 . 3 39 39 ARG N N 15 119.305 0.000 . 1 . . . . . 226 ARG N . 51052 2 164 . 3 . 3 41 41 ASN H H 1 8.699 0.000 . 1 . . . . . 228 ASN HN . 51052 2 165 . 3 . 3 41 41 ASN HA H 1 3.960 0.004 . 1 . . . . . 228 ASN HA . 51052 2 166 . 3 . 3 41 41 ASN CA C 13 55.521 0.054 . 1 . . . . . 228 ASN CA . 51052 2 167 . 3 . 3 41 41 ASN N N 15 118.863 0.000 . 1 . . . . . 228 ASN N . 51052 2 168 . 3 . 3 42 42 GLN H H 1 8.101 0.000 . 1 . . . . . 229 GLN HN . 51052 2 169 . 3 . 3 42 42 GLN N N 15 120.378 0.000 . 1 . . . . . 229 GLN N . 51052 2 170 . 3 . 3 43 43 LEU H H 1 7.853 0.000 . 1 . . . . . 230 LEU HN . 51052 2 171 . 3 . 3 43 43 LEU HD21 H 1 0.909 0.013 . 1 . . . . . 230 LEU HD2 . 51052 2 172 . 3 . 3 43 43 LEU HD22 H 1 0.909 0.013 . 1 . . . . . 230 LEU HD2 . 51052 2 173 . 3 . 3 43 43 LEU HD23 H 1 0.909 0.013 . 1 . . . . . 230 LEU HD2 . 51052 2 174 . 3 . 3 43 43 LEU CA C 13 56.943 0.000 . 1 . . . . . 230 LEU CA . 51052 2 175 . 3 . 3 43 43 LEU CB C 13 42.169 0.000 . 1 . . . . . 230 LEU CB . 51052 2 176 . 3 . 3 43 43 LEU CG C 13 25.806 0.000 . 1 . . . . . 230 LEU CG . 51052 2 177 . 3 . 3 43 43 LEU CD2 C 13 23.004 0.086 . 1 . . . . . 230 LEU CD2 . 51052 2 178 . 3 . 3 43 43 LEU N N 15 120.009 0.000 . 1 . . . . . 230 LEU N . 51052 2 179 . 3 . 3 44 44 GLU H H 1 8.070 0.000 . 1 . . . . . 231 GLU HN . 51052 2 180 . 3 . 3 44 44 GLU HA H 1 4.193 0.005 . 1 . . . . . 231 GLU HA . 51052 2 181 . 3 . 3 44 44 GLU HG2 H 1 2.424 0.000 . 1 . . . . . 231 GLU HG2 . 51052 2 182 . 3 . 3 44 44 GLU CA C 13 57.790 0.137 . 1 . . . . . 231 GLU CA . 51052 2 183 . 3 . 3 44 44 GLU CB C 13 29.551 0.000 . 1 . . . . . 231 GLU CB . 51052 2 184 . 3 . 3 44 44 GLU CG C 13 36.301 0.037 . 1 . . . . . 231 GLU CG . 51052 2 185 . 3 . 3 44 44 GLU N N 15 119.684 0.000 . 1 . . . . . 231 GLU N . 51052 2 186 . 3 . 3 45 45 SER H H 1 8.111 0.002 . 1 . . . . . 232 SER HN . 51052 2 187 . 3 . 3 45 45 SER HA H 1 4.369 0.004 . 1 . . . . . 232 SER HA . 51052 2 188 . 3 . 3 45 45 SER HB2 H 1 3.992 0.004 . 1 . . . . . 232 SER HB2 . 51052 2 189 . 3 . 3 45 45 SER CA C 13 59.895 0.062 . 1 . . . . . 232 SER CA . 51052 2 190 . 3 . 3 45 45 SER CB C 13 63.473 0.066 . 1 . . . . . 232 SER CB . 51052 2 191 . 3 . 3 45 45 SER N N 15 115.399 0.005 . 1 . . . . . 232 SER N . 51052 2 192 . 3 . 3 46 46 LYS H H 1 7.952 0.000 . 1 . . . . . 233 LYS HN . 51052 2 193 . 3 . 3 46 46 LYS HA H 1 4.351 0.004 . 1 . . . . . 233 LYS HA . 51052 2 194 . 3 . 3 46 46 LYS HB2 H 1 1.780 0.001 . 1 . . . . . 233 LYS HB2 . 51052 2 195 . 3 . 3 46 46 LYS HG2 H 1 1.465 0.002 . 1 . . . . . 233 LYS HG2 . 51052 2 196 . 3 . 3 46 46 LYS HD2 H 1 1.690 0.001 . 1 . . . . . 233 LYS HD2 . 51052 2 197 . 3 . 3 46 46 LYS HE2 H 1 3.005 0.001 . 1 . . . . . 233 LYS HE2 . 51052 2 198 . 3 . 3 46 46 LYS CA C 13 56.443 0.038 . 1 . . . . . 233 LYS CA . 51052 2 199 . 3 . 3 46 46 LYS CB C 13 33.030 0.062 . 1 . . . . . 233 LYS CB . 51052 2 200 . 3 . 3 46 46 LYS CG C 13 24.789 0.019 . 1 . . . . . 233 LYS CG . 51052 2 201 . 3 . 3 46 46 LYS CD C 13 29.124 0.037 . 1 . . . . . 233 LYS CD . 51052 2 202 . 3 . 3 46 46 LYS CE C 13 42.218 0.020 . 1 . . . . . 233 LYS CE . 51052 2 203 . 3 . 3 46 46 LYS N N 15 121.364 0.000 . 1 . . . . . 233 LYS N . 51052 2 204 . 3 . 3 47 47 MET H H 1 8.009 0.000 . 1 . . . . . 234 MET HN . 51052 2 205 . 3 . 3 47 47 MET N N 15 119.214 0.000 . 1 . . . . . 234 MET N . 51052 2 206 . 3 . 3 48 48 SER H H 1 8.285 0.000 . 1 . . . . . 235 SER HN . 51052 2 207 . 3 . 3 48 48 SER CA C 13 58.672 0.000 . 1 . . . . . 235 SER CA . 51052 2 208 . 3 . 3 48 48 SER CB C 13 63.512 0.000 . 1 . . . . . 235 SER CB . 51052 2 209 . 3 . 3 48 48 SER N N 15 116.293 0.000 . 1 . . . . . 235 SER N . 51052 2 210 . 3 . 3 49 49 GLY H H 1 8.478 0.000 . 1 . . . . . 236 GLY HN . 51052 2 211 . 3 . 3 49 49 GLY CA C 13 45.932 0.000 . 1 . . . . . 236 GLY CA . 51052 2 212 . 3 . 3 49 49 GLY N N 15 110.956 0.022 . 1 . . . . . 236 GLY N . 51052 2 213 . 3 . 3 50 50 LYS H H 1 8.184 0.002 . 1 . . . . . 237 LYS HN . 51052 2 214 . 3 . 3 50 50 LYS HB2 H 1 1.868 0.002 . 1 . . . . . 237 LYS HB2 . 51052 2 215 . 3 . 3 50 50 LYS HD3 H 1 1.477 0.007 . 1 . . . . . 237 LYS HD3 . 51052 2 216 . 3 . 3 50 50 LYS CA C 13 56.490 0.000 . 1 . . . . . 237 LYS CA . 51052 2 217 . 3 . 3 50 50 LYS CB C 13 33.009 0.162 . 1 . . . . . 237 LYS CB . 51052 2 218 . 3 . 3 50 50 LYS CG C 13 24.886 0.000 . 1 . . . . . 237 LYS CG . 51052 2 219 . 3 . 3 50 50 LYS CD C 13 29.117 0.063 . 1 . . . . . 237 LYS CD . 51052 2 220 . 3 . 3 50 50 LYS CE C 13 42.385 0.000 . 1 . . . . . 237 LYS CE . 51052 2 221 . 3 . 3 50 50 LYS N N 15 120.522 0.015 . 1 . . . . . 237 LYS N . 51052 2 222 . 3 . 3 51 51 GLY H H 1 8.504 0.003 . 1 . . . . . 238 GLY HN . 51052 2 223 . 3 . 3 51 51 GLY CA C 13 46.173 0.000 . 1 . . . . . 238 GLY CA . 51052 2 224 . 3 . 3 51 51 GLY N N 15 109.956 0.081 . 1 . . . . . 238 GLY N . 51052 2 225 . 3 . 3 52 52 GLN H H 1 8.256 0.003 . 1 . . . . . 239 GLN HN . 51052 2 226 . 3 . 3 52 52 GLN CA C 13 55.985 0.000 . 1 . . . . . 239 GLN CA . 51052 2 227 . 3 . 3 52 52 GLN CB C 13 29.218 0.000 . 1 . . . . . 239 GLN CB . 51052 2 228 . 3 . 3 52 52 GLN CG C 13 33.840 0.000 . 1 . . . . . 239 GLN CG . 51052 2 229 . 3 . 3 52 52 GLN N N 15 119.763 0.009 . 1 . . . . . 239 GLN N . 51052 2 230 . 3 . 3 53 53 GLN H H 1 8.485 0.001 . 1 . . . . . 240 GLN HN . 51052 2 231 . 3 . 3 53 53 GLN CA C 13 56.177 0.000 . 1 . . . . . 240 GLN CA . 51052 2 232 . 3 . 3 53 53 GLN CG C 13 33.875 0.000 . 1 . . . . . 240 GLN CG . 51052 2 233 . 3 . 3 53 53 GLN N N 15 121.525 0.020 . 1 . . . . . 240 GLN N . 51052 2 234 . 3 . 3 54 54 GLN H H 1 8.431 0.001 . 1 . . . . . 241 GLN HN . 51052 2 235 . 3 . 3 54 54 GLN N N 15 121.295 0.013 . 1 . . . . . 241 GLN N . 51052 2 236 . 3 . 3 55 55 GLN H H 1 8.494 0.000 . 1 . . . . . 242 GLN HN . 51052 2 237 . 3 . 3 55 55 GLN HG2 H 1 2.434 0.000 . 1 . . . . . 242 GLN HG2 . 51052 2 238 . 3 . 3 55 55 GLN CA C 13 55.758 0.000 . 1 . . . . . 242 GLN CA . 51052 2 239 . 3 . 3 55 55 GLN CG C 13 33.782 0.101 . 1 . . . . . 242 GLN CG . 51052 2 240 . 3 . 3 55 55 GLN N N 15 121.688 0.000 . 1 . . . . . 242 GLN N . 51052 2 241 . 3 . 3 56 56 GLY H H 1 8.181 0.002 . 1 . . . . . 243 GLY HN . 51052 2 242 . 3 . 3 56 56 GLY HA2 H 1 3.692 0.000 . 1 . . . . . 243 GLY HA . 51052 2 243 . 3 . 3 56 56 GLY HA3 H 1 3.692 0.000 . 1 . . . . . 243 GLY HA . 51052 2 244 . 3 . 3 56 56 GLY CA C 13 44.676 0.038 . 1 . . . . . 243 GLY CA . 51052 2 245 . 3 . 3 56 56 GLY N N 15 109.530 0.021 . 1 . . . . . 243 GLY N . 51052 2 246 . 3 . 3 57 57 GLN H H 1 7.612 0.000 . 1 . . . . . 244 GLN HN . 51052 2 247 . 3 . 3 57 57 GLN HA H 1 4.412 0.000 . 1 . . . . . 244 GLN HA . 51052 2 248 . 3 . 3 57 57 GLN HB2 H 1 2.104 0.000 . 1 . . . . . 244 GLN HB2 . 51052 2 249 . 3 . 3 57 57 GLN HG2 H 1 2.343 0.001 . 1 . . . . . 244 GLN HG2 . 51052 2 250 . 3 . 3 57 57 GLN CA C 13 55.463 0.013 . 1 . . . . . 244 GLN CA . 51052 2 251 . 3 . 3 57 57 GLN CB C 13 29.439 0.063 . 1 . . . . . 244 GLN CB . 51052 2 252 . 3 . 3 57 57 GLN CG C 13 33.829 0.074 . 1 . . . . . 244 GLN CG . 51052 2 253 . 3 . 3 57 57 GLN N N 15 121.572 0.000 . 1 . . . . . 244 GLN N . 51052 2 254 . 3 . 3 58 58 THR H H 1 8.936 0.000 . 1 . . . . . 245 THR HN . 51052 2 255 . 3 . 3 58 58 THR HB H 1 4.048 0.002 . 1 . . . . . 245 THR HB . 51052 2 256 . 3 . 3 58 58 THR HG21 H 1 1.089 0.001 . 1 . . . . . 245 THR HG2 . 51052 2 257 . 3 . 3 58 58 THR HG22 H 1 1.089 0.001 . 1 . . . . . 245 THR HG2 . 51052 2 258 . 3 . 3 58 58 THR HG23 H 1 1.089 0.001 . 1 . . . . . 245 THR HG2 . 51052 2 259 . 3 . 3 58 58 THR CA C 13 63.322 0.000 . 1 . . . . . 245 THR CA . 51052 2 260 . 3 . 3 58 58 THR CB C 13 68.994 0.030 . 1 . . . . . 245 THR CB . 51052 2 261 . 3 . 3 58 58 THR CG2 C 13 21.917 0.095 . 1 . . . . . 245 THR CG2 . 51052 2 262 . 3 . 3 58 58 THR N N 15 124.512 0.000 . 1 . . . . . 245 THR N . 51052 2 263 . 3 . 3 59 59 VAL HA H 1 4.932 0.000 . 1 . . . . . 246 VAL HA . 51052 2 264 . 3 . 3 59 59 VAL CA C 13 63.460 0.021 . 1 . . . . . 246 VAL CA . 51052 2 265 . 3 . 3 60 60 THR H H 1 8.547 0.000 . 1 . . . . . 247 THR HN . 51052 2 266 . 3 . 3 60 60 THR HA H 1 4.048 0.000 . 1 . . . . . 247 THR HA . 51052 2 267 . 3 . 3 60 60 THR HG21 H 1 1.401 0.000 . 1 . . . . . 247 THR HG2 . 51052 2 268 . 3 . 3 60 60 THR HG22 H 1 1.401 0.000 . 1 . . . . . 247 THR HG2 . 51052 2 269 . 3 . 3 60 60 THR HG23 H 1 1.401 0.000 . 1 . . . . . 247 THR HG2 . 51052 2 270 . 3 . 3 60 60 THR CA C 13 59.150 0.038 . 1 . . . . . 247 THR CA . 51052 2 271 . 3 . 3 60 60 THR CG2 C 13 21.911 0.084 . 1 . . . . . 247 THR CG2 . 51052 2 272 . 3 . 3 60 60 THR N N 15 117.166 0.000 . 1 . . . . . 247 THR N . 51052 2 273 . 3 . 3 61 61 LYS H H 1 9.571 0.000 . 1 . . . . . 248 LYS HN . 51052 2 274 . 3 . 3 61 61 LYS N N 15 123.186 0.000 . 1 . . . . . 248 LYS N . 51052 2 275 . 3 . 3 62 62 LYS H H 1 8.774 0.000 . 1 . . . . . 249 LYS HN . 51052 2 276 . 3 . 3 62 62 LYS HA H 1 4.123 0.000 . 1 . . . . . 249 LYS HA . 51052 2 277 . 3 . 3 62 62 LYS HE2 H 1 3.004 0.001 . 1 . . . . . 249 LYS HE2 . 51052 2 278 . 3 . 3 62 62 LYS CA C 13 59.093 0.038 . 1 . . . . . 249 LYS CA . 51052 2 279 . 3 . 3 62 62 LYS CE C 13 42.180 0.027 . 1 . . . . . 249 LYS CE . 51052 2 280 . 3 . 3 62 62 LYS N N 15 119.517 0.000 . 1 . . . . . 249 LYS N . 51052 2 281 . 3 . 3 63 63 SER H H 1 8.255 0.000 . 1 . . . . . 250 SER HN . 51052 2 282 . 3 . 3 63 63 SER N N 15 117.910 0.000 . 1 . . . . . 250 SER N . 51052 2 283 . 3 . 3 64 64 ALA H H 1 8.686 0.000 . 1 . . . . . 251 ALA HN . 51052 2 284 . 3 . 3 64 64 ALA N N 15 128.682 0.000 . 1 . . . . . 251 ALA N . 51052 2 285 . 3 . 3 65 65 ALA H H 1 7.964 0.000 . 1 . . . . . 252 ALA HN . 51052 2 286 . 3 . 3 65 65 ALA N N 15 121.793 0.000 . 1 . . . . . 252 ALA N . 51052 2 287 . 3 . 3 66 66 GLU H H 1 7.955 0.000 . 1 . . . . . 253 GLU HN . 51052 2 288 . 3 . 3 66 66 GLU HA H 1 4.127 0.000 . 1 . . . . . 253 GLU HA . 51052 2 289 . 3 . 3 66 66 GLU CA C 13 59.059 0.128 . 1 . . . . . 253 GLU CA . 51052 2 290 . 3 . 3 66 66 GLU N N 15 118.629 0.000 . 1 . . . . . 253 GLU N . 51052 2 291 . 3 . 3 67 67 ALA H H 1 7.904 0.000 . 1 . . . . . 254 ALA HN . 51052 2 292 . 3 . 3 67 67 ALA N N 15 121.836 0.000 . 1 . . . . . 254 ALA N . 51052 2 293 . 3 . 3 68 68 SER H H 1 7.911 0.000 . 1 . . . . . 255 SER HN . 51052 2 294 . 3 . 3 68 68 SER N N 15 112.818 0.000 . 1 . . . . . 255 SER N . 51052 2 295 . 3 . 3 69 69 LYS H H 1 7.368 0.000 . 1 . . . . . 256 LYS HN . 51052 2 296 . 3 . 3 69 69 LYS N N 15 120.400 0.000 . 1 . . . . . 256 LYS N . 51052 2 297 . 3 . 3 70 70 LYS H H 1 7.408 0.000 . 1 . . . . . 257 LYS HN . 51052 2 298 . 3 . 3 70 70 LYS HB2 H 1 1.828 0.000 . 1 . . . . . 257 LYS HB2 . 51052 2 299 . 3 . 3 70 70 LYS CA C 13 54.661 0.000 . 1 . . . . . 257 LYS CA . 51052 2 300 . 3 . 3 70 70 LYS CB C 13 32.352 0.099 . 1 . . . . . 257 LYS CB . 51052 2 301 . 3 . 3 70 70 LYS N N 15 121.712 0.000 . 1 . . . . . 257 LYS N . 51052 2 302 . 3 . 3 72 72 ARG H H 1 8.401 0.000 . 1 . . . . . 259 ARG HN . 51052 2 303 . 3 . 3 72 72 ARG HA H 1 4.284 0.026 . 1 . . . . . 259 ARG HA . 51052 2 304 . 3 . 3 72 72 ARG HG3 H 1 1.428 0.009 . 1 . . . . . 259 ARG HG3 . 51052 2 305 . 3 . 3 72 72 ARG CA C 13 53.003 0.232 . 1 . . . . . 259 ARG CA . 51052 2 306 . 3 . 3 72 72 ARG N N 15 122.062 0.000 . 1 . . . . . 259 ARG N . 51052 2 307 . 3 . 3 73 73 GLN H H 1 8.401 0.003 . 1 . . . . . 260 GLN HN . 51052 2 308 . 3 . 3 73 73 GLN HA H 1 4.413 0.000 . 1 . . . . . 260 GLN HA . 51052 2 309 . 3 . 3 73 73 GLN HG2 H 1 2.343 0.000 . 1 . . . . . 260 GLN HG2 . 51052 2 310 . 3 . 3 73 73 GLN CA C 13 55.553 0.125 . 1 . . . . . 260 GLN CA . 51052 2 311 . 3 . 3 73 73 GLN CG C 13 33.806 0.035 . 1 . . . . . 260 GLN CG . 51052 2 312 . 3 . 3 73 73 GLN N N 15 120.260 0.111 . 1 . . . . . 260 GLN N . 51052 2 313 . 3 . 3 74 74 LYS H H 1 8.442 0.000 . 1 . . . . . 261 LYS HN . 51052 2 314 . 3 . 3 74 74 LYS HG3 H 1 1.351 0.055 . 1 . . . . . 261 LYS HG3 . 51052 2 315 . 3 . 3 74 74 LYS HD3 H 1 1.602 0.000 . 1 . . . . . 261 LYS HD3 . 51052 2 316 . 3 . 3 74 74 LYS CA C 13 56.389 0.000 . 1 . . . . . 261 LYS CA . 51052 2 317 . 3 . 3 74 74 LYS CB C 13 33.209 0.000 . 1 . . . . . 261 LYS CB . 51052 2 318 . 3 . 3 74 74 LYS CG C 13 24.821 0.063 . 1 . . . . . 261 LYS CG . 51052 2 319 . 3 . 3 74 74 LYS CD C 13 29.438 0.021 . 1 . . . . . 261 LYS CD . 51052 2 320 . 3 . 3 74 74 LYS CE C 13 42.237 0.034 . 1 . . . . . 261 LYS CE . 51052 2 321 . 3 . 3 74 74 LYS N N 15 124.045 0.117 . 1 . . . . . 261 LYS N . 51052 2 322 . 3 . 3 75 75 ARG H H 1 8.763 0.003 . 1 . . . . . 262 ARG HN . 51052 2 323 . 3 . 3 75 75 ARG CA C 13 56.552 0.000 . 1 . . . . . 262 ARG CA . 51052 2 324 . 3 . 3 75 75 ARG CB C 13 30.940 0.000 . 1 . . . . . 262 ARG CB . 51052 2 325 . 3 . 3 75 75 ARG CG C 13 27.396 0.000 . 1 . . . . . 262 ARG CG . 51052 2 326 . 3 . 3 75 75 ARG CD C 13 43.263 0.000 . 1 . . . . . 262 ARG CD . 51052 2 327 . 3 . 3 75 75 ARG N N 15 124.263 0.031 . 1 . . . . . 262 ARG N . 51052 2 328 . 3 . 3 76 76 THR H H 1 7.855 0.001 . 1 . . . . . 263 THR HN . 51052 2 329 . 3 . 3 76 76 THR HA H 1 4.250 0.000 . 1 . . . . . 263 THR HA . 51052 2 330 . 3 . 3 76 76 THR HB H 1 4.158 0.001 . 1 . . . . . 263 THR HB . 51052 2 331 . 3 . 3 76 76 THR HG21 H 1 1.162 0.001 . 1 . . . . . 263 THR HG2 . 51052 2 332 . 3 . 3 76 76 THR HG22 H 1 1.162 0.001 . 1 . . . . . 263 THR HG2 . 51052 2 333 . 3 . 3 76 76 THR HG23 H 1 1.162 0.001 . 1 . . . . . 263 THR HG2 . 51052 2 334 . 3 . 3 76 76 THR CA C 13 63.216 0.036 . 1 . . . . . 263 THR CA . 51052 2 335 . 3 . 3 76 76 THR CB C 13 70.647 0.064 . 1 . . . . . 263 THR CB . 51052 2 336 . 3 . 3 76 76 THR CG2 C 13 22.045 0.085 . 1 . . . . . 263 THR CG2 . 51052 2 337 . 3 . 3 76 76 THR N N 15 120.569 0.010 . 1 . . . . . 263 THR N . 51052 2 stop_ save_