data_34661 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34661 _Entry.Title ; Structure of SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-26 _Entry.Accession_date 2021-08-26 _Entry.Last_release_date 2021-12-30 _Entry.Original_release_date 2021-12-30 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Bessa L. M. . . 34661 2 S. Guseva S. . . . 34661 3 A. Camacho-Zarco A. R. . . 34661 4 N. Salvi N. . . . 34661 5 M. Blackledge M. . . . 34661 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SARS-Cov-2; nucleoprotein; nsp3; NMR; intrinsically disordered protein; chaperone; replication; nucleocapsid; RNA; SAXS' . 34661 'VIRAL PROTEIN' . 34661 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34661 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 34661 '15N chemical shifts' 156 34661 '1H chemical shifts' 593 34661 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-01-20 2021-08-26 update BMRB 'update entry citation' 34661 1 . . 2022-01-16 2021-08-26 original author 'original release' 34661 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7PKU 'BMRB Entry Tracking System' 34661 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34661 _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. . . 34661 1 2 Serafima Guseva S. . . . 34661 1 3 Aldo Camacho-Zarco A. R. . . 34661 1 4 Nicola Salvi N. . . . 34661 1 5 Damien Maurin D. . . . 34661 1 6 'Laura Marino' Perez L. M. . . 34661 1 7 Maiia Botova M. . . . 34661 1 8 Anas Malki A. . . . 34661 1 9 Max Nanao M. . . . 34661 1 10 'Malene Ringkjobing' Jensen M. R. . . 34661 1 11 Rob Ruigrok . . . . 34661 1 12 Martin Blackledge M. . . . 34661 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34661 _Assembly.ID 1 _Assembly.Name '3C-like proteinase (E.C.3.4.19.12,3.4.22.69), Nucleoprotein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34661 1 2 unit_2 2 $entity_2 B B yes . . . . . . 34661 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34661 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QGYKSVNITFELDERIDKVL NEKCSAYTVELGTEVNEFAC VVADAVIKTLQPVSELLTPL GIDLDEWSMATYYLFDESGE FKLASHMYCSFYPPDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.4.19.12,3.4.22.69 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10893.183 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Growth factor-like peptide' common 34661 1 'Leader protein' common 34661 1 'Non-structural protein 10' common 34661 1 'Non-structural protein 2' common 34661 1 'Non-structural protein 3' common 34661 1 'Non-structural protein 4' common 34661 1 'Non-structural protein 6' common 34661 1 'Non-structural protein 7' common 34661 1 'Non-structural protein 8' common 34661 1 'Non-structural protein 9' common 34661 1 'Papain-like proteinase' common 34661 1 'p65 homolog' common 34661 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 16 GLN . 34661 1 2 17 GLY . 34661 1 3 18 TYR . 34661 1 4 19 LYS . 34661 1 5 20 SER . 34661 1 6 21 VAL . 34661 1 7 22 ASN . 34661 1 8 23 ILE . 34661 1 9 24 THR . 34661 1 10 25 PHE . 34661 1 11 26 GLU . 34661 1 12 27 LEU . 34661 1 13 28 ASP . 34661 1 14 29 GLU . 34661 1 15 30 ARG . 34661 1 16 31 ILE . 34661 1 17 32 ASP . 34661 1 18 33 LYS . 34661 1 19 34 VAL . 34661 1 20 35 LEU . 34661 1 21 36 ASN . 34661 1 22 37 GLU . 34661 1 23 38 LYS . 34661 1 24 39 CYS . 34661 1 25 40 SER . 34661 1 26 41 ALA . 34661 1 27 42 TYR . 34661 1 28 43 THR . 34661 1 29 44 VAL . 34661 1 30 45 GLU . 34661 1 31 46 LEU . 34661 1 32 47 GLY . 34661 1 33 48 THR . 34661 1 34 49 GLU . 34661 1 35 50 VAL . 34661 1 36 51 ASN . 34661 1 37 52 GLU . 34661 1 38 53 PHE . 34661 1 39 54 ALA . 34661 1 40 55 CYS . 34661 1 41 56 VAL . 34661 1 42 57 VAL . 34661 1 43 58 ALA . 34661 1 44 59 ASP . 34661 1 45 60 ALA . 34661 1 46 61 VAL . 34661 1 47 62 ILE . 34661 1 48 63 LYS . 34661 1 49 64 THR . 34661 1 50 65 LEU . 34661 1 51 66 GLN . 34661 1 52 67 PRO . 34661 1 53 68 VAL . 34661 1 54 69 SER . 34661 1 55 70 GLU . 34661 1 56 71 LEU . 34661 1 57 72 LEU . 34661 1 58 73 THR . 34661 1 59 74 PRO . 34661 1 60 75 LEU . 34661 1 61 76 GLY . 34661 1 62 77 ILE . 34661 1 63 78 ASP . 34661 1 64 79 LEU . 34661 1 65 80 ASP . 34661 1 66 81 GLU . 34661 1 67 82 TRP . 34661 1 68 83 SER . 34661 1 69 84 MET . 34661 1 70 85 ALA . 34661 1 71 86 THR . 34661 1 72 87 TYR . 34661 1 73 88 TYR . 34661 1 74 89 LEU . 34661 1 75 90 PHE . 34661 1 76 91 ASP . 34661 1 77 92 GLU . 34661 1 78 93 SER . 34661 1 79 94 GLY . 34661 1 80 95 GLU . 34661 1 81 96 PHE . 34661 1 82 97 LYS . 34661 1 83 98 LEU . 34661 1 84 99 ALA . 34661 1 85 100 SER . 34661 1 86 101 HIS . 34661 1 87 102 MET . 34661 1 88 103 TYR . 34661 1 89 104 CYS . 34661 1 90 105 SER . 34661 1 91 106 PHE . 34661 1 92 107 TYR . 34661 1 93 108 PRO . 34661 1 94 109 PRO . 34661 1 95 110 ASP . 34661 1 96 111 GLU . 34661 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 . GLN 1 1 34661 1 . GLY 2 2 34661 1 . TYR 3 3 34661 1 . LYS 4 4 34661 1 . SER 5 5 34661 1 . VAL 6 6 34661 1 . ASN 7 7 34661 1 . ILE 8 8 34661 1 . THR 9 9 34661 1 . PHE 10 10 34661 1 . GLU 11 11 34661 1 . LEU 12 12 34661 1 . ASP 13 13 34661 1 . GLU 14 14 34661 1 . ARG 15 15 34661 1 . ILE 16 16 34661 1 . ASP 17 17 34661 1 . LYS 18 18 34661 1 . VAL 19 19 34661 1 . LEU 20 20 34661 1 . ASN 21 21 34661 1 . GLU 22 22 34661 1 . LYS 23 23 34661 1 . CYS 24 24 34661 1 . SER 25 25 34661 1 . ALA 26 26 34661 1 . TYR 27 27 34661 1 . THR 28 28 34661 1 . VAL 29 29 34661 1 . GLU 30 30 34661 1 . LEU 31 31 34661 1 . GLY 32 32 34661 1 . THR 33 33 34661 1 . GLU 34 34 34661 1 . VAL 35 35 34661 1 . ASN 36 36 34661 1 . GLU 37 37 34661 1 . PHE 38 38 34661 1 . ALA 39 39 34661 1 . CYS 40 40 34661 1 . VAL 41 41 34661 1 . VAL 42 42 34661 1 . ALA 43 43 34661 1 . ASP 44 44 34661 1 . ALA 45 45 34661 1 . VAL 46 46 34661 1 . ILE 47 47 34661 1 . LYS 48 48 34661 1 . THR 49 49 34661 1 . LEU 50 50 34661 1 . GLN 51 51 34661 1 . PRO 52 52 34661 1 . VAL 53 53 34661 1 . SER 54 54 34661 1 . GLU 55 55 34661 1 . LEU 56 56 34661 1 . LEU 57 57 34661 1 . THR 58 58 34661 1 . PRO 59 59 34661 1 . LEU 60 60 34661 1 . GLY 61 61 34661 1 . ILE 62 62 34661 1 . ASP 63 63 34661 1 . LEU 64 64 34661 1 . ASP 65 65 34661 1 . GLU 66 66 34661 1 . TRP 67 67 34661 1 . SER 68 68 34661 1 . MET 69 69 34661 1 . ALA 70 70 34661 1 . THR 71 71 34661 1 . TYR 72 72 34661 1 . TYR 73 73 34661 1 . LEU 74 74 34661 1 . PHE 75 75 34661 1 . ASP 76 76 34661 1 . GLU 77 77 34661 1 . SER 78 78 34661 1 . GLY 79 79 34661 1 . GLU 80 80 34661 1 . PHE 81 81 34661 1 . LYS 82 82 34661 1 . LEU 83 83 34661 1 . ALA 84 84 34661 1 . SER 85 85 34661 1 . HIS 86 86 34661 1 . MET 87 87 34661 1 . TYR 88 88 34661 1 . CYS 89 89 34661 1 . SER 90 90 34661 1 . PHE 91 91 34661 1 . TYR 92 92 34661 1 . PRO 93 93 34661 1 . PRO 94 94 34661 1 . ASP 95 95 34661 1 . GLU 96 96 34661 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34661 _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 B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RNSSRNSTPGSSRGTSPARM AGNGGDAALALLLLDRLNQL ESKMSGKGQQQQGQTVTKKS AAEASKKPRQKRT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7710.649 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 191 ARG . 34661 2 2 192 ASN . 34661 2 3 193 SER . 34661 2 4 194 SER . 34661 2 5 195 ARG . 34661 2 6 196 ASN . 34661 2 7 197 SER . 34661 2 8 198 THR . 34661 2 9 199 PRO . 34661 2 10 200 GLY . 34661 2 11 201 SER . 34661 2 12 202 SER . 34661 2 13 203 ARG . 34661 2 14 204 GLY . 34661 2 15 205 THR . 34661 2 16 206 SER . 34661 2 17 207 PRO . 34661 2 18 208 ALA . 34661 2 19 209 ARG . 34661 2 20 210 MET . 34661 2 21 211 ALA . 34661 2 22 212 GLY . 34661 2 23 213 ASN . 34661 2 24 214 GLY . 34661 2 25 215 GLY . 34661 2 26 216 ASP . 34661 2 27 217 ALA . 34661 2 28 218 ALA . 34661 2 29 219 LEU . 34661 2 30 220 ALA . 34661 2 31 221 LEU . 34661 2 32 222 LEU . 34661 2 33 223 LEU . 34661 2 34 224 LEU . 34661 2 35 225 ASP . 34661 2 36 226 ARG . 34661 2 37 227 LEU . 34661 2 38 228 ASN . 34661 2 39 229 GLN . 34661 2 40 230 LEU . 34661 2 41 231 GLU . 34661 2 42 232 SER . 34661 2 43 233 LYS . 34661 2 44 234 MET . 34661 2 45 235 SER . 34661 2 46 236 GLY . 34661 2 47 237 LYS . 34661 2 48 238 GLY . 34661 2 49 239 GLN . 34661 2 50 240 GLN . 34661 2 51 241 GLN . 34661 2 52 242 GLN . 34661 2 53 243 GLY . 34661 2 54 244 GLN . 34661 2 55 245 THR . 34661 2 56 246 VAL . 34661 2 57 247 THR . 34661 2 58 248 LYS . 34661 2 59 249 LYS . 34661 2 60 250 SER . 34661 2 61 251 ALA . 34661 2 62 252 ALA . 34661 2 63 253 GLU . 34661 2 64 254 ALA . 34661 2 65 255 SER . 34661 2 66 256 LYS . 34661 2 67 257 LYS . 34661 2 68 258 PRO . 34661 2 69 259 ARG . 34661 2 70 260 GLN . 34661 2 71 261 LYS . 34661 2 72 262 ARG . 34661 2 73 263 THR . 34661 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 . ARG 1 1 34661 2 . ASN 2 2 34661 2 . SER 3 3 34661 2 . SER 4 4 34661 2 . ARG 5 5 34661 2 . ASN 6 6 34661 2 . SER 7 7 34661 2 . THR 8 8 34661 2 . PRO 9 9 34661 2 . GLY 10 10 34661 2 . SER 11 11 34661 2 . SER 12 12 34661 2 . ARG 13 13 34661 2 . GLY 14 14 34661 2 . THR 15 15 34661 2 . SER 16 16 34661 2 . PRO 17 17 34661 2 . ALA 18 18 34661 2 . ARG 19 19 34661 2 . MET 20 20 34661 2 . ALA 21 21 34661 2 . GLY 22 22 34661 2 . ASN 23 23 34661 2 . GLY 24 24 34661 2 . GLY 25 25 34661 2 . ASP 26 26 34661 2 . ALA 27 27 34661 2 . ALA 28 28 34661 2 . LEU 29 29 34661 2 . ALA 30 30 34661 2 . LEU 31 31 34661 2 . LEU 32 32 34661 2 . LEU 33 33 34661 2 . LEU 34 34 34661 2 . ASP 35 35 34661 2 . ARG 36 36 34661 2 . LEU 37 37 34661 2 . ASN 38 38 34661 2 . GLN 39 39 34661 2 . LEU 40 40 34661 2 . GLU 41 41 34661 2 . SER 42 42 34661 2 . LYS 43 43 34661 2 . MET 44 44 34661 2 . SER 45 45 34661 2 . GLY 46 46 34661 2 . LYS 47 47 34661 2 . GLY 48 48 34661 2 . GLN 49 49 34661 2 . GLN 50 50 34661 2 . GLN 51 51 34661 2 . GLN 52 52 34661 2 . GLY 53 53 34661 2 . GLN 54 54 34661 2 . THR 55 55 34661 2 . VAL 56 56 34661 2 . THR 57 57 34661 2 . LYS 58 58 34661 2 . LYS 59 59 34661 2 . SER 60 60 34661 2 . ALA 61 61 34661 2 . ALA 62 62 34661 2 . GLU 63 63 34661 2 . ALA 64 64 34661 2 . SER 65 65 34661 2 . LYS 66 66 34661 2 . LYS 67 67 34661 2 . PRO 68 68 34661 2 . ARG 69 69 34661 2 . GLN 70 70 34661 2 . LYS 71 71 34661 2 . ARG 72 72 34661 2 . THR 73 73 34661 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34661 _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 . 'Severe acute respiratory syndrome coronavirus 2' '2019-nCoV, SARS-CoV-2' . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . ORF1ab . 34661 1 2 2 $entity_2 . 2697049 organism . 'Severe acute respiratory syndrome coronavirus 2' '2019-nCoV, SARS-CoV-2' . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 34661 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34661 _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' . . 562 Escherichia coli . . . . . . . . . . 34661 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34661 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34661 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-15N] sN3, 550 uM sUbl1, 50 mM sodium phosphate, 250 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sN3 [U-15N] . . 1 $entity_1 . . 500 . . uM . . . . 34661 1 2 sUbl1 'natural abundance' . . 2 $entity_2 . . 550 . . uM . . . . 34661 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34661 1 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 34661 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34661 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34661 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-13C; U-15N] sN3, 550 uM sUbl1, 50 mM sodium phosphate, 250 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sN3 '[U-13C; U-15N]' . . 1 $entity_1 . . 500 . . uM . . . . 34661 2 2 sUbl1 'natural abundance' . . 2 $entity_2 . . 550 . . uM . . . . 34661 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34661 2 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 34661 2 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34661 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34661 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-15N] sUbl1, 550 uM sN3, 50 mM sodium phosphate, 250 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sN3 'natural abundance' . . 1 $entity_1 . . 550 . . uM . . . . 34661 3 2 sUbl1 [U-15N] . . 2 $entity_2 . . 500 . . uM . . . . 34661 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34661 3 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 34661 3 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34661 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34661 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-13C; U-15N] sUbl1, 550 uM sN3, 50 mM sodium phosphate, 250 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sN3 'natural abundance' . . 1 $entity_1 . . 550 . . uM . . . . 34661 4 2 sUbl1 '[U-13C; U-15N]' . . 2 $entity_2 . . 500 . . uM . . . . 34661 4 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34661 4 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 34661 4 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34661 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 34661 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM 100% A220I Cd1 13C sUbl1, 550 uM sN3, 50 mM sodium phosphate, 250 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sN3 'natural abundance' . . 1 $entity_1 . . 550 . . uM . . . . 34661 5 2 sUbl1 '100% A220I Cd1 13C' . . 2 $entity_2 . . 500 . . uM . . . . 34661 5 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34661 5 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 34661 5 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34661 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 34661 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM sN3, 550 uM sUbl1, 50 mM sodium phosphate, 250 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sN3 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 34661 6 2 sUbl1 'natural abundance' . . 2 $entity_2 . . 550 . . uM . . . . 34661 6 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34661 6 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 34661 6 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34661 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 34661 _Sample.ID 7 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-13C; U-15N] sN3(S235F), 550 uM sUbl1, 50 mM sodium phosphate, 250 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sN3(S235F) '[U-13C; U-15N]' . . 1 $entity_1 . . 500 . . uM . . . . 34661 7 2 sUbl1 'natural abundance' . . 2 $entity_2 . . 550 . . uM . . . . 34661 7 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34661 7 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 34661 7 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34661 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 34661 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 34661 1 pH 6.5 . pH 34661 1 pressure 1 . atm 34661 1 temperature 298 . K 34661 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34661 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 34661 2 pH 6.5 . pH 34661 2 pressure 1 . atm 34661 2 temperature 298 . K 34661 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 34661 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 34661 3 pH 6.5 . pH 34661 3 pressure 1 . atm 34661 3 temperature 298 . K 34661 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 34661 _Sample_condition_list.ID 4 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 34661 4 pH 6.5 . pH 34661 4 pressure 1 . atm 34661 4 temperature 298 . K 34661 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 34661 _Sample_condition_list.ID 5 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 34661 5 pH 6.5 . pH 34661 5 pressure 1 . atm 34661 5 temperature 298 . K 34661 5 stop_ save_ save_sample_conditions_6 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_6 _Sample_condition_list.Entry_ID 34661 _Sample_condition_list.ID 6 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 34661 6 pH 6.5 . pH 34661 6 pressure 1 . atm 34661 6 temperature 298 . K 34661 6 stop_ save_ save_sample_conditions_7 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_7 _Sample_condition_list.Entry_ID 34661 _Sample_condition_list.ID 7 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 34661 7 pH 6.5 . pH 34661 7 pressure 1 . atm 34661 7 temperature 298 . K 34661 7 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34661 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34661 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34661 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34661 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, W., Tonelli, M., and Markley, J.L.' . . 34661 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34661 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34661 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34661 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34661 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 950 . . . 34661 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 850 . . . 34661 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34661 _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 NOESY no . . . . . . . . . . . . 6 $sample_6 isotropic . . 6 $sample_conditions_6 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34661 1 2 '15N edited 3D NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34661 1 3 '13C edited 3D NOESY-HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34661 1 4 '13C edited 3D NOESY-HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34661 1 5 '13C edited NOESY-HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 5 $sample_conditions_5 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34661 1 6 '15N edited 3D NOESY-HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34661 1 7 '13C edited 3D NOESY-HSQC' no . . . . . . . . . . . . 7 $sample_7 isotropic . . 7 $sample_conditions_7 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34661 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 34661 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.25144953 . . . . . 34661 1 H 1 water protons . . . . ppm 4.774 internal indirect 0.101329118 . . . . . 34661 1 N 15 water protons . . . . ppm 4.774 internal direct 1.0 . . . . . 34661 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 34661 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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 NOESY . . . 34661 1 2 '15N edited 3D NOESY-HSQC' . . . 34661 1 3 '13C edited 3D NOESY-HSQC' . . . 34661 1 4 '13C edited 3D NOESY-HSQC' . . . 34661 1 5 '13C edited NOESY-HSQC' . . . 34661 1 6 '15N edited 3D NOESY-HSQC' . . . 34661 1 7 '13C edited 3D NOESY-HSQC' . . . 34661 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLN H H 1 8.630 0.001 . 1 . . . . A 16 GLN H1 . 34661 1 2 . 1 . 1 1 1 GLN HA H 1 4.325 0.003 . 1 . . . . A 16 GLN HA . 34661 1 3 . 1 . 1 1 1 GLN HB3 H 1 2.087 0.005 . 1 . . . . A 16 GLN HB3 . 34661 1 4 . 1 . 1 1 1 GLN HG2 H 1 2.430 0.003 . 1 . . . . A 16 GLN HG2 . 34661 1 5 . 1 . 1 1 1 GLN CA C 13 56.795 0.000 . 1 . . . . A 16 GLN CA . 34661 1 6 . 1 . 1 1 1 GLN CB C 13 29.328 0.021 . 1 . . . . A 16 GLN CB . 34661 1 7 . 1 . 1 1 1 GLN CG C 13 33.857 0.035 . 1 . . . . A 16 GLN CG . 34661 1 8 . 1 . 1 1 1 GLN N N 15 124.370 0.008 . 1 . . . . A 16 GLN N . 34661 1 9 . 1 . 1 2 2 GLY H H 1 8.872 0.002 . 1 . . . . A 17 GLY H . 34661 1 10 . 1 . 1 2 2 GLY HA2 H 1 4.187 0.000 . 1 . . . . A 17 GLY HA2 . 34661 1 11 . 1 . 1 2 2 GLY HA3 H 1 3.845 0.003 . 1 . . . . A 17 GLY HA3 . 34661 1 12 . 1 . 1 2 2 GLY CA C 13 45.391 0.037 . 1 . . . . A 17 GLY CA . 34661 1 13 . 1 . 1 2 2 GLY N N 15 111.003 0.018 . 1 . . . . A 17 GLY N . 34661 1 14 . 1 . 1 3 3 TYR H H 1 8.092 0.001 . 1 . . . . A 18 TYR H . 34661 1 15 . 1 . 1 3 3 TYR HA H 1 4.993 0.006 . 1 . . . . A 18 TYR HA . 34661 1 16 . 1 . 1 3 3 TYR HB3 H 1 2.747 0.009 . 1 . . . . A 18 TYR HB3 . 34661 1 17 . 1 . 1 3 3 TYR CA C 13 56.914 0.077 . 1 . . . . A 18 TYR CA . 34661 1 18 . 1 . 1 3 3 TYR CB C 13 42.475 0.013 . 1 . . . . A 18 TYR CB . 34661 1 19 . 1 . 1 3 3 TYR N N 15 119.236 0.006 . 1 . . . . A 18 TYR N . 34661 1 20 . 1 . 1 4 4 LYS H H 1 9.429 0.002 . 1 . . . . A 19 LYS H . 34661 1 21 . 1 . 1 4 4 LYS HA H 1 4.699 0.000 . 1 . . . . A 19 LYS HA . 34661 1 22 . 1 . 1 4 4 LYS HB2 H 1 1.518 0.002 . 1 . . . . A 19 LYS HB2 . 34661 1 23 . 1 . 1 4 4 LYS HB3 H 1 1.573 0.006 . 1 . . . . A 19 LYS HB3 . 34661 1 24 . 1 . 1 4 4 LYS HG2 H 1 1.173 0.000 . 1 . . . . A 19 LYS HG2 . 34661 1 25 . 1 . 1 4 4 LYS HG3 H 1 1.335 0.004 . 1 . . . . A 19 LYS HG3 . 34661 1 26 . 1 . 1 4 4 LYS HD2 H 1 1.474 0.000 . 1 . . . . A 19 LYS HD2 . 34661 1 27 . 1 . 1 4 4 LYS HD3 H 1 1.486 0.003 . 1 . . . . A 19 LYS HD3 . 34661 1 28 . 1 . 1 4 4 LYS HE2 H 1 2.791 0.001 . 1 . . . . A 19 LYS HE2 . 34661 1 29 . 1 . 1 4 4 LYS HE3 H 1 2.721 0.003 . 1 . . . . A 19 LYS HE3 . 34661 1 30 . 1 . 1 4 4 LYS CA C 13 54.300 0.000 . 1 . . . . A 19 LYS CA . 34661 1 31 . 1 . 1 4 4 LYS CB C 13 35.938 0.071 . 1 . . . . A 19 LYS CB . 34661 1 32 . 1 . 1 4 4 LYS CG C 13 24.088 0.044 . 1 . . . . A 19 LYS CG . 34661 1 33 . 1 . 1 4 4 LYS CD C 13 28.968 0.041 . 1 . . . . A 19 LYS CD . 34661 1 34 . 1 . 1 4 4 LYS CE C 13 41.447 0.037 . 1 . . . . A 19 LYS CE . 34661 1 35 . 1 . 1 4 4 LYS N N 15 123.045 0.031 . 1 . . . . A 19 LYS N . 34661 1 36 . 1 . 1 5 5 SER H H 1 8.865 0.006 . 1 . . . . A 20 SER H . 34661 1 37 . 1 . 1 5 5 SER HA H 1 4.916 0.010 . 1 . . . . A 20 SER HA . 34661 1 38 . 1 . 1 5 5 SER HB2 H 1 3.966 0.004 . 1 . . . . A 20 SER HB2 . 34661 1 39 . 1 . 1 5 5 SER HB3 H 1 3.867 0.005 . 1 . . . . A 20 SER HB3 . 34661 1 40 . 1 . 1 5 5 SER CA C 13 59.008 0.050 . 1 . . . . A 20 SER CA . 34661 1 41 . 1 . 1 5 5 SER CB C 13 62.979 0.029 . 1 . . . . A 20 SER CB . 34661 1 42 . 1 . 1 5 5 SER N N 15 123.683 0.049 . 1 . . . . A 20 SER N . 34661 1 43 . 1 . 1 6 6 VAL H H 1 9.091 0.004 . 1 . . . . A 21 VAL H . 34661 1 44 . 1 . 1 6 6 VAL HA H 1 4.569 0.003 . 1 . . . . A 21 VAL HA . 34661 1 45 . 1 . 1 6 6 VAL HB H 1 1.851 0.012 . 1 . . . . A 21 VAL HB . 34661 1 46 . 1 . 1 6 6 VAL HG11 H 1 0.739 0.003 . 1 . . . . A 21 VAL HG11 . 34661 1 47 . 1 . 1 6 6 VAL HG12 H 1 0.739 0.003 . 1 . . . . A 21 VAL HG12 . 34661 1 48 . 1 . 1 6 6 VAL HG13 H 1 0.739 0.003 . 1 . . . . A 21 VAL HG13 . 34661 1 49 . 1 . 1 6 6 VAL HG21 H 1 0.739 0.003 . 1 . . . . A 21 VAL HG21 . 34661 1 50 . 1 . 1 6 6 VAL HG22 H 1 0.739 0.003 . 1 . . . . A 21 VAL HG22 . 34661 1 51 . 1 . 1 6 6 VAL HG23 H 1 0.739 0.003 . 1 . . . . A 21 VAL HG23 . 34661 1 52 . 1 . 1 6 6 VAL CA C 13 61.838 0.078 . 1 . . . . A 21 VAL CA . 34661 1 53 . 1 . 1 6 6 VAL CB C 13 36.372 0.030 . 1 . . . . A 21 VAL CB . 34661 1 54 . 1 . 1 6 6 VAL CG1 C 13 20.334 0.107 . 1 . . . . A 21 VAL CG1 . 34661 1 55 . 1 . 1 6 6 VAL CG2 C 13 20.334 0.107 . 1 . . . . A 21 VAL CG2 . 34661 1 56 . 1 . 1 6 6 VAL N N 15 127.193 0.012 . 1 . . . . A 21 VAL N . 34661 1 57 . 1 . 1 7 7 ASN H H 1 8.417 0.005 . 1 . . . . A 22 ASN H . 34661 1 58 . 1 . 1 7 7 ASN HA H 1 5.851 0.004 . 1 . . . . A 22 ASN HA . 34661 1 59 . 1 . 1 7 7 ASN HB2 H 1 2.693 0.000 . 1 . . . . A 22 ASN HB2 . 34661 1 60 . 1 . 1 7 7 ASN HB3 H 1 2.698 0.004 . 1 . . . . A 22 ASN HB3 . 34661 1 61 . 1 . 1 7 7 ASN CA C 13 52.186 0.044 . 1 . . . . A 22 ASN CA . 34661 1 62 . 1 . 1 7 7 ASN CB C 13 41.781 0.026 . 1 . . . . A 22 ASN CB . 34661 1 63 . 1 . 1 7 7 ASN N N 15 126.020 0.032 . 1 . . . . A 22 ASN N . 34661 1 64 . 1 . 1 8 8 ILE H H 1 9.362 0.007 . 1 . . . . A 23 ILE H . 34661 1 65 . 1 . 1 8 8 ILE HA H 1 4.401 0.011 . 1 . . . . A 23 ILE HA . 34661 1 66 . 1 . 1 8 8 ILE HB H 1 1.466 0.004 . 1 . . . . A 23 ILE HB . 34661 1 67 . 1 . 1 8 8 ILE HG21 H 1 -0.554 0.001 . 1 . . . . A 23 ILE HG21 . 34661 1 68 . 1 . 1 8 8 ILE HG22 H 1 -0.554 0.001 . 1 . . . . A 23 ILE HG22 . 34661 1 69 . 1 . 1 8 8 ILE HG23 H 1 -0.554 0.001 . 1 . . . . A 23 ILE HG23 . 34661 1 70 . 1 . 1 8 8 ILE HD11 H 1 0.364 0.005 . 1 . . . . A 23 ILE HD11 . 34661 1 71 . 1 . 1 8 8 ILE HD12 H 1 0.364 0.005 . 1 . . . . A 23 ILE HD12 . 34661 1 72 . 1 . 1 8 8 ILE HD13 H 1 0.364 0.005 . 1 . . . . A 23 ILE HD13 . 34661 1 73 . 1 . 1 8 8 ILE CA C 13 58.754 0.091 . 1 . . . . A 23 ILE CA . 34661 1 74 . 1 . 1 8 8 ILE CB C 13 39.858 0.077 . 1 . . . . A 23 ILE CB . 34661 1 75 . 1 . 1 8 8 ILE CG1 C 13 28.562 0.071 . 1 . . . . A 23 ILE CG1 . 34661 1 76 . 1 . 1 8 8 ILE CG2 C 13 17.041 0.088 . 1 . . . . A 23 ILE CG2 . 34661 1 77 . 1 . 1 8 8 ILE CD1 C 13 14.284 0.049 . 1 . . . . A 23 ILE CD1 . 34661 1 78 . 1 . 1 8 8 ILE N N 15 125.957 0.029 . 1 . . . . A 23 ILE N . 34661 1 79 . 1 . 1 9 9 THR H H 1 8.506 0.007 . 1 . . . . A 24 THR H . 34661 1 80 . 1 . 1 9 9 THR HA H 1 4.364 0.008 . 1 . . . . A 24 THR HA . 34661 1 81 . 1 . 1 9 9 THR HB H 1 3.898 0.004 . 1 . . . . A 24 THR HB . 34661 1 82 . 1 . 1 9 9 THR HG21 H 1 1.017 0.015 . 1 . . . . A 24 THR HG21 . 34661 1 83 . 1 . 1 9 9 THR HG22 H 1 1.017 0.015 . 1 . . . . A 24 THR HG22 . 34661 1 84 . 1 . 1 9 9 THR HG23 H 1 1.017 0.015 . 1 . . . . A 24 THR HG23 . 34661 1 85 . 1 . 1 9 9 THR CA C 13 61.943 0.026 . 1 . . . . A 24 THR CA . 34661 1 86 . 1 . 1 9 9 THR CB C 13 69.852 0.039 . 1 . . . . A 24 THR CB . 34661 1 87 . 1 . 1 9 9 THR CG2 C 13 22.059 0.015 . 1 . . . . A 24 THR CG2 . 34661 1 88 . 1 . 1 9 9 THR N N 15 122.850 0.050 . 1 . . . . A 24 THR N . 34661 1 89 . 1 . 1 10 10 PHE H H 1 9.924 0.008 . 1 . . . . A 25 PHE H . 34661 1 90 . 1 . 1 10 10 PHE HA H 1 4.051 0.006 . 1 . . . . A 25 PHE HA . 34661 1 91 . 1 . 1 10 10 PHE HB2 H 1 3.022 0.001 . 1 . . . . A 25 PHE HB2 . 34661 1 92 . 1 . 1 10 10 PHE HB3 H 1 2.807 0.014 . 1 . . . . A 25 PHE HB3 . 34661 1 93 . 1 . 1 10 10 PHE CA C 13 60.518 0.101 . 1 . . . . A 25 PHE CA . 34661 1 94 . 1 . 1 10 10 PHE CB C 13 39.726 0.038 . 1 . . . . A 25 PHE CB . 34661 1 95 . 1 . 1 10 10 PHE N N 15 128.481 0.016 . 1 . . . . A 25 PHE N . 34661 1 96 . 1 . 1 11 11 GLU H H 1 8.834 0.001 . 1 . . . . A 26 GLU H . 34661 1 97 . 1 . 1 11 11 GLU HA H 1 4.911 0.002 . 1 . . . . A 26 GLU HA . 34661 1 98 . 1 . 1 11 11 GLU HG3 H 1 2.236 0.006 . 1 . . . . A 26 GLU HG3 . 34661 1 99 . 1 . 1 11 11 GLU CA C 13 54.892 0.060 . 1 . . . . A 26 GLU CA . 34661 1 100 . 1 . 1 11 11 GLU CB C 13 28.881 0.000 . 1 . . . . A 26 GLU CB . 34661 1 101 . 1 . 1 11 11 GLU CG C 13 36.487 0.113 . 1 . . . . A 26 GLU CG . 34661 1 102 . 1 . 1 11 11 GLU N N 15 125.439 0.056 . 1 . . . . A 26 GLU N . 34661 1 103 . 1 . 1 12 12 LEU H H 1 9.957 0.000 . 1 . . . . A 27 LEU H . 34661 1 104 . 1 . 1 12 12 LEU HA H 1 4.221 0.000 . 1 . . . . A 27 LEU HA . 34661 1 105 . 1 . 1 12 12 LEU HB3 H 1 1.621 0.000 . 1 . . . . A 27 LEU HB3 . 34661 1 106 . 1 . 1 12 12 LEU HG H 1 0.720 0.002 . 1 . . . . A 27 LEU HG . 34661 1 107 . 1 . 1 12 12 LEU HD11 H 1 -0.462 0.003 . 1 . . . . A 27 LEU HD11 . 34661 1 108 . 1 . 1 12 12 LEU HD12 H 1 -0.462 0.003 . 1 . . . . A 27 LEU HD12 . 34661 1 109 . 1 . 1 12 12 LEU HD13 H 1 -0.462 0.003 . 1 . . . . A 27 LEU HD13 . 34661 1 110 . 1 . 1 12 12 LEU CA C 13 56.030 0.010 . 1 . . . . A 27 LEU CA . 34661 1 111 . 1 . 1 12 12 LEU CB C 13 42.961 0.000 . 1 . . . . A 27 LEU CB . 34661 1 112 . 1 . 1 12 12 LEU CG C 13 26.637 0.124 . 1 . . . . A 27 LEU CG . 34661 1 113 . 1 . 1 12 12 LEU CD1 C 13 20.359 0.031 . 1 . . . . A 27 LEU CD1 . 34661 1 114 . 1 . 1 12 12 LEU N N 15 124.879 0.000 . 1 . . . . A 27 LEU N . 34661 1 115 . 1 . 1 13 13 ASP H H 1 9.175 0.000 . 1 . . . . A 28 ASP H . 34661 1 116 . 1 . 1 13 13 ASP N N 15 118.898 0.000 . 1 . . . . A 28 ASP N . 34661 1 117 . 1 . 1 14 14 GLU H H 1 9.488 0.000 . 1 . . . . A 29 GLU H . 34661 1 118 . 1 . 1 14 14 GLU HA H 1 4.362 0.003 . 1 . . . . A 29 GLU HA . 34661 1 119 . 1 . 1 14 14 GLU HG2 H 1 2.245 0.000 . 1 . . . . A 29 GLU HG2 . 34661 1 120 . 1 . 1 14 14 GLU HG3 H 1 2.463 0.000 . 1 . . . . A 29 GLU HG3 . 34661 1 121 . 1 . 1 14 14 GLU CA C 13 59.426 0.063 . 1 . . . . A 29 GLU CA . 34661 1 122 . 1 . 1 14 14 GLU CG C 13 36.273 0.008 . 1 . . . . A 29 GLU CG . 34661 1 123 . 1 . 1 14 14 GLU N N 15 129.373 0.000 . 1 . . . . A 29 GLU N . 34661 1 124 . 1 . 1 15 15 ARG H H 1 9.102 0.000 . 1 . . . . A 30 ARG H . 34661 1 125 . 1 . 1 15 15 ARG N N 15 119.045 0.000 . 1 . . . . A 30 ARG N . 34661 1 126 . 1 . 1 16 16 ILE H H 1 7.833 0.002 . 1 . . . . A 31 ILE H . 34661 1 127 . 1 . 1 16 16 ILE HB H 1 2.077 0.005 . 1 . . . . A 31 ILE HB . 34661 1 128 . 1 . 1 16 16 ILE HG12 H 1 1.417 0.005 . 1 . . . . A 31 ILE HG12 . 34661 1 129 . 1 . 1 16 16 ILE HG13 H 1 1.128 0.004 . 1 . . . . A 31 ILE HG13 . 34661 1 130 . 1 . 1 16 16 ILE HG21 H 1 0.679 0.001 . 1 . . . . A 31 ILE HG21 . 34661 1 131 . 1 . 1 16 16 ILE HG22 H 1 0.679 0.001 . 1 . . . . A 31 ILE HG22 . 34661 1 132 . 1 . 1 16 16 ILE HG23 H 1 0.679 0.001 . 1 . . . . A 31 ILE HG23 . 34661 1 133 . 1 . 1 16 16 ILE HD11 H 1 0.933 0.001 . 1 . . . . A 31 ILE HD11 . 34661 1 134 . 1 . 1 16 16 ILE HD12 H 1 0.933 0.001 . 1 . . . . A 31 ILE HD12 . 34661 1 135 . 1 . 1 16 16 ILE HD13 H 1 0.933 0.001 . 1 . . . . A 31 ILE HD13 . 34661 1 136 . 1 . 1 16 16 ILE CA C 13 59.466 0.047 . 1 . . . . A 31 ILE CA . 34661 1 137 . 1 . 1 16 16 ILE CB C 13 41.744 0.094 . 1 . . . . A 31 ILE CB . 34661 1 138 . 1 . 1 16 16 ILE CG1 C 13 27.708 0.043 . 1 . . . . A 31 ILE CG1 . 34661 1 139 . 1 . 1 16 16 ILE CG2 C 13 20.633 0.041 . 1 . . . . A 31 ILE CG2 . 34661 1 140 . 1 . 1 16 16 ILE CD1 C 13 15.109 0.018 . 1 . . . . A 31 ILE CD1 . 34661 1 141 . 1 . 1 16 16 ILE N N 15 104.482 0.000 . 1 . . . . A 31 ILE N . 34661 1 142 . 1 . 1 17 17 ASP H H 1 8.391 0.004 . 1 . . . . A 32 ASP H . 34661 1 143 . 1 . 1 17 17 ASP HA H 1 4.339 0.006 . 1 . . . . A 32 ASP HA . 34661 1 144 . 1 . 1 17 17 ASP HB2 H 1 2.878 0.016 . 1 . . . . A 32 ASP HB2 . 34661 1 145 . 1 . 1 17 17 ASP HB3 H 1 2.457 0.007 . 1 . . . . A 32 ASP HB3 . 34661 1 146 . 1 . 1 17 17 ASP CA C 13 59.624 0.034 . 1 . . . . A 32 ASP CA . 34661 1 147 . 1 . 1 17 17 ASP CB C 13 41.167 0.033 . 1 . . . . A 32 ASP CB . 34661 1 148 . 1 . 1 17 17 ASP N N 15 126.671 0.021 . 1 . . . . A 32 ASP N . 34661 1 149 . 1 . 1 18 18 LYS H H 1 8.894 0.006 . 1 . . . . A 33 LYS H . 34661 1 150 . 1 . 1 18 18 LYS HA H 1 4.149 0.007 . 1 . . . . A 33 LYS HA . 34661 1 151 . 1 . 1 18 18 LYS HB2 H 1 1.589 0.005 . 1 . . . . A 33 LYS HB2 . 34661 1 152 . 1 . 1 18 18 LYS HB3 H 1 1.953 0.009 . 1 . . . . A 33 LYS HB3 . 34661 1 153 . 1 . 1 18 18 LYS HG2 H 1 1.605 0.000 . 1 . . . . A 33 LYS HG2 . 34661 1 154 . 1 . 1 18 18 LYS HG3 H 1 1.391 0.003 . 1 . . . . A 33 LYS HG3 . 34661 1 155 . 1 . 1 18 18 LYS CA C 13 59.759 0.096 . 1 . . . . A 33 LYS CA . 34661 1 156 . 1 . 1 18 18 LYS CB C 13 33.110 0.120 . 1 . . . . A 33 LYS CB . 34661 1 157 . 1 . 1 18 18 LYS CG C 13 25.358 0.030 . 1 . . . . A 33 LYS CG . 34661 1 158 . 1 . 1 18 18 LYS CD C 13 29.216 0.099 . 1 . . . . A 33 LYS CD . 34661 1 159 . 1 . 1 18 18 LYS CE C 13 42.062 0.000 . 1 . . . . A 33 LYS CE . 34661 1 160 . 1 . 1 18 18 LYS N N 15 116.526 0.006 . 1 . . . . A 33 LYS N . 34661 1 161 . 1 . 1 19 19 VAL H H 1 7.612 0.000 . 1 . . . . A 34 VAL H . 34661 1 162 . 1 . 1 19 19 VAL HA H 1 3.453 0.000 . 1 . . . . A 34 VAL HA . 34661 1 163 . 1 . 1 19 19 VAL HG11 H 1 0.702 0.000 . 1 . . . . A 34 VAL HG11 . 34661 1 164 . 1 . 1 19 19 VAL HG12 H 1 0.702 0.000 . 1 . . . . A 34 VAL HG12 . 34661 1 165 . 1 . 1 19 19 VAL HG13 H 1 0.702 0.000 . 1 . . . . A 34 VAL HG13 . 34661 1 166 . 1 . 1 19 19 VAL HG21 H 1 1.085 0.000 . 1 . . . . A 34 VAL HG21 . 34661 1 167 . 1 . 1 19 19 VAL HG22 H 1 1.085 0.000 . 1 . . . . A 34 VAL HG22 . 34661 1 168 . 1 . 1 19 19 VAL HG23 H 1 1.085 0.000 . 1 . . . . A 34 VAL HG23 . 34661 1 169 . 1 . 1 19 19 VAL CA C 13 65.847 0.000 . 1 . . . . A 34 VAL CA . 34661 1 170 . 1 . 1 19 19 VAL CG1 C 13 21.341 0.000 . 1 . . . . A 34 VAL CG1 . 34661 1 171 . 1 . 1 19 19 VAL CG2 C 13 23.194 0.000 . 1 . . . . A 34 VAL CG2 . 34661 1 172 . 1 . 1 19 19 VAL N N 15 115.849 0.000 . 1 . . . . A 34 VAL N . 34661 1 173 . 1 . 1 20 20 LEU H H 1 6.972 0.004 . 1 . . . . A 35 LEU H . 34661 1 174 . 1 . 1 20 20 LEU HA H 1 3.952 0.009 . 1 . . . . A 35 LEU HA . 34661 1 175 . 1 . 1 20 20 LEU HB3 H 1 1.479 0.000 . 1 . . . . A 35 LEU HB3 . 34661 1 176 . 1 . 1 20 20 LEU HD11 H 1 0.685 0.008 . 1 . . . . A 35 LEU HD11 . 34661 1 177 . 1 . 1 20 20 LEU HD12 H 1 0.685 0.008 . 1 . . . . A 35 LEU HD12 . 34661 1 178 . 1 . 1 20 20 LEU HD13 H 1 0.685 0.008 . 1 . . . . A 35 LEU HD13 . 34661 1 179 . 1 . 1 20 20 LEU HD21 H 1 0.584 0.011 . 1 . . . . A 35 LEU HD21 . 34661 1 180 . 1 . 1 20 20 LEU HD22 H 1 0.584 0.011 . 1 . . . . A 35 LEU HD22 . 34661 1 181 . 1 . 1 20 20 LEU HD23 H 1 0.584 0.011 . 1 . . . . A 35 LEU HD23 . 34661 1 182 . 1 . 1 20 20 LEU CA C 13 56.466 0.081 . 1 . . . . A 35 LEU CA . 34661 1 183 . 1 . 1 20 20 LEU CB C 13 40.249 0.075 . 1 . . . . A 35 LEU CB . 34661 1 184 . 1 . 1 20 20 LEU CD1 C 13 27.261 0.034 . 1 . . . . A 35 LEU CD1 . 34661 1 185 . 1 . 1 20 20 LEU CD2 C 13 22.399 0.042 . 1 . . . . A 35 LEU CD2 . 34661 1 186 . 1 . 1 20 20 LEU N N 15 118.097 0.027 . 1 . . . . A 35 LEU N . 34661 1 187 . 1 . 1 21 21 ASN H H 1 9.077 0.005 . 1 . . . . A 36 ASN H . 34661 1 188 . 1 . 1 21 21 ASN N N 15 117.264 0.052 . 1 . . . . A 36 ASN N . 34661 1 189 . 1 . 1 22 22 GLU H H 1 7.724 0.002 . 1 . . . . A 37 GLU H . 34661 1 190 . 1 . 1 22 22 GLU HA H 1 4.463 0.020 . 1 . . . . A 37 GLU HA . 34661 1 191 . 1 . 1 22 22 GLU HB3 H 1 2.360 0.000 . 1 . . . . A 37 GLU HB3 . 34661 1 192 . 1 . 1 22 22 GLU HG3 H 1 2.393 0.018 . 1 . . . . A 37 GLU HG3 . 34661 1 193 . 1 . 1 22 22 GLU CA C 13 58.347 0.097 . 1 . . . . A 37 GLU CA . 34661 1 194 . 1 . 1 22 22 GLU CB C 13 29.392 0.012 . 1 . . . . A 37 GLU CB . 34661 1 195 . 1 . 1 22 22 GLU CG C 13 36.238 0.065 . 1 . . . . A 37 GLU CG . 34661 1 196 . 1 . 1 22 22 GLU N N 15 117.572 0.031 . 1 . . . . A 37 GLU N . 34661 1 197 . 1 . 1 23 23 LYS H H 1 8.009 0.003 . 1 . . . . A 38 LYS H . 34661 1 198 . 1 . 1 23 23 LYS N N 15 115.175 0.016 . 1 . . . . A 38 LYS N . 34661 1 199 . 1 . 1 24 24 CYS H H 1 9.147 0.002 . 1 . . . . A 39 CYS H . 34661 1 200 . 1 . 1 24 24 CYS HA H 1 5.205 0.000 . 1 . . . . A 39 CYS HA . 34661 1 201 . 1 . 1 24 24 CYS CA C 13 55.588 0.000 . 1 . . . . A 39 CYS CA . 34661 1 202 . 1 . 1 24 24 CYS N N 15 117.481 0.000 . 1 . . . . A 39 CYS N . 34661 1 203 . 1 . 1 25 25 SER H H 1 8.493 0.000 . 1 . . . . A 40 SER H . 34661 1 204 . 1 . 1 25 25 SER HA H 1 5.215 0.000 . 1 . . . . A 40 SER HA . 34661 1 205 . 1 . 1 25 25 SER CA C 13 56.991 0.000 . 1 . . . . A 40 SER CA . 34661 1 206 . 1 . 1 25 25 SER N N 15 114.936 0.000 . 1 . . . . A 40 SER N . 34661 1 207 . 1 . 1 26 26 ALA H H 1 7.515 0.000 . 1 . . . . A 41 ALA H . 34661 1 208 . 1 . 1 26 26 ALA HA H 1 5.225 0.000 . 1 . . . . A 41 ALA HA . 34661 1 209 . 1 . 1 26 26 ALA HB1 H 1 1.249 0.000 . 1 . . . . A 41 ALA HB1 . 34661 1 210 . 1 . 1 26 26 ALA HB2 H 1 1.249 0.000 . 1 . . . . A 41 ALA HB2 . 34661 1 211 . 1 . 1 26 26 ALA HB3 H 1 1.249 0.000 . 1 . . . . A 41 ALA HB3 . 34661 1 212 . 1 . 1 26 26 ALA CA C 13 51.949 0.000 . 1 . . . . A 41 ALA CA . 34661 1 213 . 1 . 1 26 26 ALA CB C 13 20.670 0.000 . 1 . . . . A 41 ALA CB . 34661 1 214 . 1 . 1 26 26 ALA N N 15 125.249 0.000 . 1 . . . . A 41 ALA N . 34661 1 215 . 1 . 1 27 27 TYR H H 1 8.975 0.000 . 1 . . . . A 42 TYR H . 34661 1 216 . 1 . 1 27 27 TYR N N 15 121.262 0.000 . 1 . . . . A 42 TYR N . 34661 1 217 . 1 . 1 28 28 THR H H 1 8.975 0.000 . 1 . . . . A 43 THR H . 34661 1 218 . 1 . 1 28 28 THR N N 15 121.219 0.000 . 1 . . . . A 43 THR N . 34661 1 219 . 1 . 1 29 29 VAL H H 1 9.238 0.011 . 1 . . . . A 44 VAL H . 34661 1 220 . 1 . 1 29 29 VAL HA H 1 3.863 0.000 . 1 . . . . A 44 VAL HA . 34661 1 221 . 1 . 1 29 29 VAL HB H 1 1.567 0.000 . 1 . . . . A 44 VAL HB . 34661 1 222 . 1 . 1 29 29 VAL HG11 H 1 0.154 0.002 . 1 . . . . A 44 VAL HG11 . 34661 1 223 . 1 . 1 29 29 VAL HG12 H 1 0.154 0.002 . 1 . . . . A 44 VAL HG12 . 34661 1 224 . 1 . 1 29 29 VAL HG13 H 1 0.154 0.002 . 1 . . . . A 44 VAL HG13 . 34661 1 225 . 1 . 1 29 29 VAL HG21 H 1 0.383 0.000 . 1 . . . . A 44 VAL HG21 . 34661 1 226 . 1 . 1 29 29 VAL HG22 H 1 0.383 0.000 . 1 . . . . A 44 VAL HG22 . 34661 1 227 . 1 . 1 29 29 VAL HG23 H 1 0.383 0.000 . 1 . . . . A 44 VAL HG23 . 34661 1 228 . 1 . 1 29 29 VAL CA C 13 61.013 0.000 . 1 . . . . A 44 VAL CA . 34661 1 229 . 1 . 1 29 29 VAL CB C 13 34.490 0.000 . 1 . . . . A 44 VAL CB . 34661 1 230 . 1 . 1 29 29 VAL CG1 C 13 22.502 0.038 . 1 . . . . A 44 VAL CG1 . 34661 1 231 . 1 . 1 29 29 VAL CG2 C 13 21.049 0.044 . 1 . . . . A 44 VAL CG2 . 34661 1 232 . 1 . 1 29 29 VAL N N 15 127.186 0.053 . 1 . . . . A 44 VAL N . 34661 1 233 . 1 . 1 30 30 GLU H H 1 8.608 0.002 . 1 . . . . A 45 GLU H . 34661 1 234 . 1 . 1 30 30 GLU HA H 1 3.091 0.011 . 1 . . . . A 45 GLU HA . 34661 1 235 . 1 . 1 30 30 GLU HB3 H 1 1.687 0.010 . 1 . . . . A 45 GLU HB3 . 34661 1 236 . 1 . 1 30 30 GLU CA C 13 56.786 0.063 . 1 . . . . A 45 GLU CA . 34661 1 237 . 1 . 1 30 30 GLU CB C 13 35.282 0.037 . 1 . . . . A 45 GLU CB . 34661 1 238 . 1 . 1 30 30 GLU N N 15 130.272 0.013 . 1 . . . . A 45 GLU N . 34661 1 239 . 1 . 1 31 31 LEU H H 1 8.353 0.003 . 1 . . . . A 46 LEU H . 34661 1 240 . 1 . 1 31 31 LEU HA H 1 3.809 0.007 . 1 . . . . A 46 LEU HA . 34661 1 241 . 1 . 1 31 31 LEU HB2 H 1 1.343 0.005 . 1 . . . . A 46 LEU HB2 . 34661 1 242 . 1 . 1 31 31 LEU HB3 H 1 1.526 0.014 . 1 . . . . A 46 LEU HB3 . 34661 1 243 . 1 . 1 31 31 LEU HG H 1 1.295 0.003 . 1 . . . . A 46 LEU HG . 34661 1 244 . 1 . 1 31 31 LEU HD11 H 1 0.802 0.003 . 1 . . . . A 46 LEU HD11 . 34661 1 245 . 1 . 1 31 31 LEU HD12 H 1 0.802 0.003 . 1 . . . . A 46 LEU HD12 . 34661 1 246 . 1 . 1 31 31 LEU HD13 H 1 0.802 0.003 . 1 . . . . A 46 LEU HD13 . 34661 1 247 . 1 . 1 31 31 LEU HD21 H 1 0.807 0.002 . 1 . . . . A 46 LEU HD21 . 34661 1 248 . 1 . 1 31 31 LEU HD22 H 1 0.807 0.002 . 1 . . . . A 46 LEU HD22 . 34661 1 249 . 1 . 1 31 31 LEU HD23 H 1 0.807 0.002 . 1 . . . . A 46 LEU HD23 . 34661 1 250 . 1 . 1 31 31 LEU CA C 13 57.087 0.085 . 1 . . . . A 46 LEU CA . 34661 1 251 . 1 . 1 31 31 LEU CB C 13 40.838 0.051 . 1 . . . . A 46 LEU CB . 34661 1 252 . 1 . 1 31 31 LEU CG C 13 27.483 0.080 . 1 . . . . A 46 LEU CG . 34661 1 253 . 1 . 1 31 31 LEU CD1 C 13 23.344 0.047 . 1 . . . . A 46 LEU CD1 . 34661 1 254 . 1 . 1 31 31 LEU CD2 C 13 25.266 0.071 . 1 . . . . A 46 LEU CD2 . 34661 1 255 . 1 . 1 31 31 LEU N N 15 129.184 0.074 . 1 . . . . A 46 LEU N . 34661 1 256 . 1 . 1 32 32 GLY H H 1 8.632 0.001 . 1 . . . . A 47 GLY H . 34661 1 257 . 1 . 1 32 32 GLY HA2 H 1 4.264 0.001 . 1 . . . . A 47 GLY HA2 . 34661 1 258 . 1 . 1 32 32 GLY HA3 H 1 3.512 0.000 . 1 . . . . A 47 GLY HA3 . 34661 1 259 . 1 . 1 32 32 GLY CA C 13 44.533 0.055 . 1 . . . . A 47 GLY CA . 34661 1 260 . 1 . 1 32 32 GLY N N 15 109.967 0.027 . 1 . . . . A 47 GLY N . 34661 1 261 . 1 . 1 33 33 THR H H 1 7.615 0.004 . 1 . . . . A 48 THR H . 34661 1 262 . 1 . 1 33 33 THR HG1 H 1 5.427 0.000 . 1 . . . . A 48 THR HG1 . 34661 1 263 . 1 . 1 33 33 THR HG21 H 1 0.973 0.000 . 1 . . . . A 48 THR HG21 . 34661 1 264 . 1 . 1 33 33 THR HG22 H 1 0.973 0.000 . 1 . . . . A 48 THR HG22 . 34661 1 265 . 1 . 1 33 33 THR HG23 H 1 0.973 0.000 . 1 . . . . A 48 THR HG23 . 34661 1 266 . 1 . 1 33 33 THR CG2 C 13 21.916 0.000 . 1 . . . . A 48 THR CG2 . 34661 1 267 . 1 . 1 33 33 THR N N 15 120.447 0.013 . 1 . . . . A 48 THR N . 34661 1 268 . 1 . 1 34 34 GLU H H 1 8.652 0.000 . 1 . . . . A 49 GLU H . 34661 1 269 . 1 . 1 34 34 GLU HA H 1 4.334 0.000 . 1 . . . . A 49 GLU HA . 34661 1 270 . 1 . 1 34 34 GLU N N 15 127.828 0.000 . 1 . . . . A 49 GLU N . 34661 1 271 . 1 . 1 35 35 VAL H H 1 9.189 0.002 . 1 . . . . A 50 VAL H . 34661 1 272 . 1 . 1 35 35 VAL HA H 1 3.559 0.012 . 1 . . . . A 50 VAL HA . 34661 1 273 . 1 . 1 35 35 VAL HB H 1 2.070 0.002 . 1 . . . . A 50 VAL HB . 34661 1 274 . 1 . 1 35 35 VAL HG11 H 1 1.045 0.005 . 1 . . . . A 50 VAL HG11 . 34661 1 275 . 1 . 1 35 35 VAL HG12 H 1 1.045 0.005 . 1 . . . . A 50 VAL HG12 . 34661 1 276 . 1 . 1 35 35 VAL HG13 H 1 1.045 0.005 . 1 . . . . A 50 VAL HG13 . 34661 1 277 . 1 . 1 35 35 VAL HG21 H 1 1.024 0.000 . 1 . . . . A 50 VAL HG21 . 34661 1 278 . 1 . 1 35 35 VAL HG22 H 1 1.024 0.000 . 1 . . . . A 50 VAL HG22 . 34661 1 279 . 1 . 1 35 35 VAL HG23 H 1 1.024 0.000 . 1 . . . . A 50 VAL HG23 . 34661 1 280 . 1 . 1 35 35 VAL CA C 13 68.109 0.042 . 1 . . . . A 50 VAL CA . 34661 1 281 . 1 . 1 35 35 VAL CB C 13 31.454 0.028 . 1 . . . . A 50 VAL CB . 34661 1 282 . 1 . 1 35 35 VAL CG1 C 13 22.954 0.038 . 1 . . . . A 50 VAL CG1 . 34661 1 283 . 1 . 1 35 35 VAL CG2 C 13 23.901 0.000 . 1 . . . . A 50 VAL CG2 . 34661 1 284 . 1 . 1 35 35 VAL N N 15 126.829 0.024 . 1 . . . . A 50 VAL N . 34661 1 285 . 1 . 1 36 36 ASN H H 1 9.013 0.005 . 1 . . . . A 51 ASN H . 34661 1 286 . 1 . 1 36 36 ASN HA H 1 4.473 0.005 . 1 . . . . A 51 ASN HA . 34661 1 287 . 1 . 1 36 36 ASN HB2 H 1 2.750 0.003 . 1 . . . . A 51 ASN HB2 . 34661 1 288 . 1 . 1 36 36 ASN HB3 H 1 2.844 0.003 . 1 . . . . A 51 ASN HB3 . 34661 1 289 . 1 . 1 36 36 ASN CA C 13 55.913 0.000 . 1 . . . . A 51 ASN CA . 34661 1 290 . 1 . 1 36 36 ASN CB C 13 37.062 0.077 . 1 . . . . A 51 ASN CB . 34661 1 291 . 1 . 1 36 36 ASN N N 15 115.704 0.000 . 1 . . . . A 51 ASN N . 34661 1 292 . 1 . 1 37 37 GLU H H 1 7.061 0.000 . 1 . . . . A 52 GLU H . 34661 1 293 . 1 . 1 37 37 GLU N N 15 120.031 0.000 . 1 . . . . A 52 GLU N . 34661 1 294 . 1 . 1 38 38 PHE HA H 1 3.348 0.001 . 1 . . . . A 53 PHE HA . 34661 1 295 . 1 . 1 38 38 PHE CA C 13 55.658 0.000 . 1 . . . . A 53 PHE CA . 34661 1 296 . 1 . 1 39 39 ALA H H 1 8.597 0.004 . 1 . . . . A 54 ALA H . 34661 1 297 . 1 . 1 39 39 ALA HB1 H 1 1.393 0.002 . 1 . . . . A 54 ALA HB1 . 34661 1 298 . 1 . 1 39 39 ALA HB2 H 1 1.393 0.002 . 1 . . . . A 54 ALA HB2 . 34661 1 299 . 1 . 1 39 39 ALA HB3 H 1 1.393 0.002 . 1 . . . . A 54 ALA HB3 . 34661 1 300 . 1 . 1 39 39 ALA CA C 13 54.839 0.000 . 1 . . . . A 54 ALA CA . 34661 1 301 . 1 . 1 39 39 ALA CB C 13 18.178 0.035 . 1 . . . . A 54 ALA CB . 34661 1 302 . 1 . 1 39 39 ALA N N 15 120.349 0.022 . 1 . . . . A 54 ALA N . 34661 1 303 . 1 . 1 40 40 CYS H H 1 7.036 0.000 . 1 . . . . A 55 CYS H . 34661 1 304 . 1 . 1 40 40 CYS N N 15 114.002 0.000 . 1 . . . . A 55 CYS N . 34661 1 305 . 1 . 1 41 41 VAL H H 1 7.227 0.000 . 1 . . . . A 56 VAL H . 34661 1 306 . 1 . 1 41 41 VAL HG11 H 1 0.862 0.000 . 1 . . . . A 56 VAL HG11 . 34661 1 307 . 1 . 1 41 41 VAL HG12 H 1 0.862 0.000 . 1 . . . . A 56 VAL HG12 . 34661 1 308 . 1 . 1 41 41 VAL HG13 H 1 0.862 0.000 . 1 . . . . A 56 VAL HG13 . 34661 1 309 . 1 . 1 41 41 VAL HG21 H 1 1.109 0.000 . 1 . . . . A 56 VAL HG21 . 34661 1 310 . 1 . 1 41 41 VAL HG22 H 1 1.109 0.000 . 1 . . . . A 56 VAL HG22 . 34661 1 311 . 1 . 1 41 41 VAL HG23 H 1 1.109 0.000 . 1 . . . . A 56 VAL HG23 . 34661 1 312 . 1 . 1 41 41 VAL CG1 C 13 21.982 0.000 . 1 . . . . A 56 VAL CG1 . 34661 1 313 . 1 . 1 41 41 VAL CG2 C 13 21.233 0.000 . 1 . . . . A 56 VAL CG2 . 34661 1 314 . 1 . 1 41 41 VAL N N 15 121.412 0.000 . 1 . . . . A 56 VAL N . 34661 1 315 . 1 . 1 42 42 VAL H H 1 7.613 0.003 . 1 . . . . A 57 VAL H . 34661 1 316 . 1 . 1 42 42 VAL HA H 1 3.452 0.000 . 1 . . . . A 57 VAL HA . 34661 1 317 . 1 . 1 42 42 VAL HB H 1 2.483 0.003 . 1 . . . . A 57 VAL HB . 34661 1 318 . 1 . 1 42 42 VAL HG11 H 1 -0.328 0.006 . 1 . . . . A 57 VAL HG11 . 34661 1 319 . 1 . 1 42 42 VAL HG12 H 1 -0.328 0.006 . 1 . . . . A 57 VAL HG12 . 34661 1 320 . 1 . 1 42 42 VAL HG13 H 1 -0.328 0.006 . 1 . . . . A 57 VAL HG13 . 34661 1 321 . 1 . 1 42 42 VAL HG21 H 1 1.127 0.003 . 1 . . . . A 57 VAL HG21 . 34661 1 322 . 1 . 1 42 42 VAL HG22 H 1 1.127 0.003 . 1 . . . . A 57 VAL HG22 . 34661 1 323 . 1 . 1 42 42 VAL HG23 H 1 1.127 0.003 . 1 . . . . A 57 VAL HG23 . 34661 1 324 . 1 . 1 42 42 VAL CA C 13 65.953 0.024 . 1 . . . . A 57 VAL CA . 34661 1 325 . 1 . 1 42 42 VAL CB C 13 31.785 0.000 . 1 . . . . A 57 VAL CB . 34661 1 326 . 1 . 1 42 42 VAL CG1 C 13 22.971 0.046 . 1 . . . . A 57 VAL CG1 . 34661 1 327 . 1 . 1 42 42 VAL CG2 C 13 22.711 0.019 . 1 . . . . A 57 VAL CG2 . 34661 1 328 . 1 . 1 42 42 VAL N N 15 122.210 0.016 . 1 . . . . A 57 VAL N . 34661 1 329 . 1 . 1 43 43 ALA H H 1 7.851 0.000 . 1 . . . . A 58 ALA H . 34661 1 330 . 1 . 1 43 43 ALA HA H 1 2.908 0.000 . 1 . . . . A 58 ALA HA . 34661 1 331 . 1 . 1 43 43 ALA HB1 H 1 0.781 0.000 . 1 . . . . A 58 ALA HB1 . 34661 1 332 . 1 . 1 43 43 ALA HB2 H 1 0.781 0.000 . 1 . . . . A 58 ALA HB2 . 34661 1 333 . 1 . 1 43 43 ALA HB3 H 1 0.781 0.000 . 1 . . . . A 58 ALA HB3 . 34661 1 334 . 1 . 1 43 43 ALA CA C 13 55.799 0.000 . 1 . . . . A 58 ALA CA . 34661 1 335 . 1 . 1 43 43 ALA CB C 13 18.887 0.000 . 1 . . . . A 58 ALA CB . 34661 1 336 . 1 . 1 43 43 ALA N N 15 121.237 0.000 . 1 . . . . A 58 ALA N . 34661 1 337 . 1 . 1 44 44 ASP H H 1 7.370 0.000 . 1 . . . . A 59 ASP H . 34661 1 338 . 1 . 1 44 44 ASP HA H 1 4.289 0.000 . 1 . . . . A 59 ASP HA . 34661 1 339 . 1 . 1 44 44 ASP HB2 H 1 2.646 0.000 . 1 . . . . A 59 ASP HB2 . 34661 1 340 . 1 . 1 44 44 ASP HB3 H 1 2.842 0.000 . 1 . . . . A 59 ASP HB3 . 34661 1 341 . 1 . 1 44 44 ASP CA C 13 57.133 0.000 . 1 . . . . A 59 ASP CA . 34661 1 342 . 1 . 1 44 44 ASP CB C 13 40.798 0.006 . 1 . . . . A 59 ASP CB . 34661 1 343 . 1 . 1 44 44 ASP N N 15 115.714 0.000 . 1 . . . . A 59 ASP N . 34661 1 344 . 1 . 1 45 45 ALA H H 1 7.987 0.000 . 1 . . . . A 60 ALA H . 34661 1 345 . 1 . 1 45 45 ALA HB1 H 1 1.785 0.000 . 1 . . . . A 60 ALA HB1 . 34661 1 346 . 1 . 1 45 45 ALA HB2 H 1 1.785 0.000 . 1 . . . . A 60 ALA HB2 . 34661 1 347 . 1 . 1 45 45 ALA HB3 H 1 1.785 0.000 . 1 . . . . A 60 ALA HB3 . 34661 1 348 . 1 . 1 45 45 ALA CB C 13 18.920 0.000 . 1 . . . . A 60 ALA CB . 34661 1 349 . 1 . 1 45 45 ALA N N 15 123.866 0.000 . 1 . . . . A 60 ALA N . 34661 1 350 . 1 . 1 46 46 VAL H H 1 8.752 0.000 . 1 . . . . A 61 VAL H . 34661 1 351 . 1 . 1 46 46 VAL HA H 1 3.532 0.000 . 1 . . . . A 61 VAL HA . 34661 1 352 . 1 . 1 46 46 VAL HG11 H 1 0.921 0.001 . 1 . . . . A 61 VAL HG11 . 34661 1 353 . 1 . 1 46 46 VAL HG12 H 1 0.921 0.001 . 1 . . . . A 61 VAL HG12 . 34661 1 354 . 1 . 1 46 46 VAL HG13 H 1 0.921 0.001 . 1 . . . . A 61 VAL HG13 . 34661 1 355 . 1 . 1 46 46 VAL HG21 H 1 1.008 0.022 . 1 . . . . A 61 VAL HG21 . 34661 1 356 . 1 . 1 46 46 VAL HG22 H 1 1.008 0.022 . 1 . . . . A 61 VAL HG22 . 34661 1 357 . 1 . 1 46 46 VAL HG23 H 1 1.008 0.022 . 1 . . . . A 61 VAL HG23 . 34661 1 358 . 1 . 1 46 46 VAL CA C 13 66.951 0.000 . 1 . . . . A 61 VAL CA . 34661 1 359 . 1 . 1 46 46 VAL CG1 C 13 24.583 0.025 . 1 . . . . A 61 VAL CG1 . 34661 1 360 . 1 . 1 46 46 VAL CG2 C 13 21.114 0.023 . 1 . . . . A 61 VAL CG2 . 34661 1 361 . 1 . 1 46 46 VAL N N 15 124.228 0.000 . 1 . . . . A 61 VAL N . 34661 1 362 . 1 . 1 47 47 ILE H H 1 7.679 0.000 . 1 . . . . A 62 ILE H . 34661 1 363 . 1 . 1 47 47 ILE HA H 1 3.678 0.001 . 1 . . . . A 62 ILE HA . 34661 1 364 . 1 . 1 47 47 ILE HB H 1 2.204 0.008 . 1 . . . . A 62 ILE HB . 34661 1 365 . 1 . 1 47 47 ILE HG12 H 1 2.093 0.008 . 1 . . . . A 62 ILE HG12 . 34661 1 366 . 1 . 1 47 47 ILE HG13 H 1 1.465 0.005 . 1 . . . . A 62 ILE HG13 . 34661 1 367 . 1 . 1 47 47 ILE HG21 H 1 0.946 0.017 . 1 . . . . A 62 ILE HG21 . 34661 1 368 . 1 . 1 47 47 ILE HG22 H 1 0.946 0.017 . 1 . . . . A 62 ILE HG22 . 34661 1 369 . 1 . 1 47 47 ILE HG23 H 1 0.946 0.017 . 1 . . . . A 62 ILE HG23 . 34661 1 370 . 1 . 1 47 47 ILE HD11 H 1 0.922 0.014 . 1 . . . . A 62 ILE HD11 . 34661 1 371 . 1 . 1 47 47 ILE HD12 H 1 0.922 0.014 . 1 . . . . A 62 ILE HD12 . 34661 1 372 . 1 . 1 47 47 ILE HD13 H 1 0.922 0.014 . 1 . . . . A 62 ILE HD13 . 34661 1 373 . 1 . 1 47 47 ILE CA C 13 62.830 0.046 . 1 . . . . A 62 ILE CA . 34661 1 374 . 1 . 1 47 47 ILE CB C 13 35.585 0.014 . 1 . . . . A 62 ILE CB . 34661 1 375 . 1 . 1 47 47 ILE CG1 C 13 27.435 0.058 . 1 . . . . A 62 ILE CG1 . 34661 1 376 . 1 . 1 47 47 ILE CG2 C 13 17.940 0.062 . 1 . . . . A 62 ILE CG2 . 34661 1 377 . 1 . 1 47 47 ILE CD1 C 13 10.213 0.046 . 1 . . . . A 62 ILE CD1 . 34661 1 378 . 1 . 1 47 47 ILE N N 15 117.056 0.000 . 1 . . . . A 62 ILE N . 34661 1 379 . 1 . 1 48 48 LYS H H 1 8.193 0.008 . 1 . . . . A 63 LYS H . 34661 1 380 . 1 . 1 48 48 LYS HA H 1 3.990 0.004 . 1 . . . . A 63 LYS HA . 34661 1 381 . 1 . 1 48 48 LYS HB2 H 1 1.875 0.000 . 1 . . . . A 63 LYS HB2 . 34661 1 382 . 1 . 1 48 48 LYS HB3 H 1 1.929 0.000 . 1 . . . . A 63 LYS HB3 . 34661 1 383 . 1 . 1 48 48 LYS HG2 H 1 1.574 0.002 . 1 . . . . A 63 LYS HG2 . 34661 1 384 . 1 . 1 48 48 LYS HG3 H 1 1.458 0.002 . 1 . . . . A 63 LYS HG3 . 34661 1 385 . 1 . 1 48 48 LYS CA C 13 59.494 0.043 . 1 . . . . A 63 LYS CA . 34661 1 386 . 1 . 1 48 48 LYS CB C 13 32.746 0.092 . 1 . . . . A 63 LYS CB . 34661 1 387 . 1 . 1 48 48 LYS CG C 13 25.489 0.042 . 1 . . . . A 63 LYS CG . 34661 1 388 . 1 . 1 48 48 LYS CD C 13 29.184 0.000 . 1 . . . . A 63 LYS CD . 34661 1 389 . 1 . 1 48 48 LYS N N 15 118.370 0.020 . 1 . . . . A 63 LYS N . 34661 1 390 . 1 . 1 49 49 THR H H 1 8.076 0.000 . 1 . . . . A 64 THR H . 34661 1 391 . 1 . 1 49 49 THR HA H 1 3.827 0.000 . 1 . . . . A 64 THR HA . 34661 1 392 . 1 . 1 49 49 THR HB H 1 4.230 0.000 . 1 . . . . A 64 THR HB . 34661 1 393 . 1 . 1 49 49 THR HG21 H 1 0.946 0.000 . 1 . . . . A 64 THR HG21 . 34661 1 394 . 1 . 1 49 49 THR HG22 H 1 0.946 0.000 . 1 . . . . A 64 THR HG22 . 34661 1 395 . 1 . 1 49 49 THR HG23 H 1 0.946 0.000 . 1 . . . . A 64 THR HG23 . 34661 1 396 . 1 . 1 49 49 THR CA C 13 66.717 0.000 . 1 . . . . A 64 THR CA . 34661 1 397 . 1 . 1 49 49 THR CB C 13 68.600 0.000 . 1 . . . . A 64 THR CB . 34661 1 398 . 1 . 1 49 49 THR CG2 C 13 21.078 0.000 . 1 . . . . A 64 THR CG2 . 34661 1 399 . 1 . 1 49 49 THR N N 15 115.567 0.000 . 1 . . . . A 64 THR N . 34661 1 400 . 1 . 1 50 50 LEU H H 1 7.389 0.000 . 1 . . . . A 65 LEU H . 34661 1 401 . 1 . 1 50 50 LEU HA H 1 4.193 0.004 . 1 . . . . A 65 LEU HA . 34661 1 402 . 1 . 1 50 50 LEU HB3 H 1 1.679 0.003 . 1 . . . . A 65 LEU HB3 . 34661 1 403 . 1 . 1 50 50 LEU HD11 H 1 0.571 0.000 . 1 . . . . A 65 LEU HD11 . 34661 1 404 . 1 . 1 50 50 LEU HD12 H 1 0.571 0.000 . 1 . . . . A 65 LEU HD12 . 34661 1 405 . 1 . 1 50 50 LEU HD13 H 1 0.571 0.000 . 1 . . . . A 65 LEU HD13 . 34661 1 406 . 1 . 1 50 50 LEU HD21 H 1 0.613 0.002 . 1 . . . . A 65 LEU HD21 . 34661 1 407 . 1 . 1 50 50 LEU HD22 H 1 0.613 0.002 . 1 . . . . A 65 LEU HD22 . 34661 1 408 . 1 . 1 50 50 LEU HD23 H 1 0.613 0.002 . 1 . . . . A 65 LEU HD23 . 34661 1 409 . 1 . 1 50 50 LEU CA C 13 54.595 0.120 . 1 . . . . A 65 LEU CA . 34661 1 410 . 1 . 1 50 50 LEU CB C 13 42.545 0.175 . 1 . . . . A 65 LEU CB . 34661 1 411 . 1 . 1 50 50 LEU CD1 C 13 20.544 0.041 . 1 . . . . A 65 LEU CD1 . 34661 1 412 . 1 . 1 50 50 LEU CD2 C 13 26.056 0.040 . 1 . . . . A 65 LEU CD2 . 34661 1 413 . 1 . 1 50 50 LEU N N 15 114.849 0.000 . 1 . . . . A 65 LEU N . 34661 1 414 . 1 . 1 51 51 GLN H H 1 8.263 0.000 . 1 . . . . A 66 GLN H . 34661 1 415 . 1 . 1 51 51 GLN HA H 1 3.732 0.000 . 1 . . . . A 66 GLN HA . 34661 1 416 . 1 . 1 51 51 GLN HB2 H 1 2.110 0.000 . 1 . . . . A 66 GLN HB2 . 34661 1 417 . 1 . 1 51 51 GLN HB3 H 1 2.340 0.000 . 1 . . . . A 66 GLN HB3 . 34661 1 418 . 1 . 1 51 51 GLN HG2 H 1 2.451 0.000 . 1 . . . . A 66 GLN HG2 . 34661 1 419 . 1 . 1 51 51 GLN HG3 H 1 2.520 0.000 . 1 . . . . A 66 GLN HG3 . 34661 1 420 . 1 . 1 51 51 GLN CA C 13 60.465 0.000 . 1 . . . . A 66 GLN CA . 34661 1 421 . 1 . 1 51 51 GLN CB C 13 26.343 0.006 . 1 . . . . A 66 GLN CB . 34661 1 422 . 1 . 1 51 51 GLN CG C 13 34.231 0.006 . 1 . . . . A 66 GLN CG . 34661 1 423 . 1 . 1 51 51 GLN N N 15 120.996 0.000 . 1 . . . . A 66 GLN N . 34661 1 424 . 1 . 1 52 52 PRO HA H 1 4.514 0.000 . 1 . . . . A 67 PRO HA . 34661 1 425 . 1 . 1 52 52 PRO HB3 H 1 2.413 0.000 . 1 . . . . A 67 PRO HB3 . 34661 1 426 . 1 . 1 52 52 PRO HG3 H 1 1.977 0.007 . 1 . . . . A 67 PRO HG3 . 34661 1 427 . 1 . 1 52 52 PRO HD2 H 1 3.764 0.003 . 1 . . . . A 67 PRO HD2 . 34661 1 428 . 1 . 1 52 52 PRO HD3 H 1 3.488 0.016 . 1 . . . . A 67 PRO HD3 . 34661 1 429 . 1 . 1 52 52 PRO CA C 13 65.435 0.000 . 1 . . . . A 67 PRO CA . 34661 1 430 . 1 . 1 52 52 PRO CB C 13 31.273 0.023 . 1 . . . . A 67 PRO CB . 34661 1 431 . 1 . 1 52 52 PRO CG C 13 27.992 0.023 . 1 . . . . A 67 PRO CG . 34661 1 432 . 1 . 1 52 52 PRO CD C 13 51.373 0.027 . 1 . . . . A 67 PRO CD . 34661 1 433 . 1 . 1 53 53 VAL H H 1 7.731 0.004 . 1 . . . . A 68 VAL H . 34661 1 434 . 1 . 1 53 53 VAL HB H 1 2.667 0.000 . 1 . . . . A 68 VAL HB . 34661 1 435 . 1 . 1 53 53 VAL HG11 H 1 0.876 0.002 . 1 . . . . A 68 VAL HG11 . 34661 1 436 . 1 . 1 53 53 VAL HG12 H 1 0.876 0.002 . 1 . . . . A 68 VAL HG12 . 34661 1 437 . 1 . 1 53 53 VAL HG13 H 1 0.876 0.002 . 1 . . . . A 68 VAL HG13 . 34661 1 438 . 1 . 1 53 53 VAL HG21 H 1 0.868 0.005 . 1 . . . . A 68 VAL HG21 . 34661 1 439 . 1 . 1 53 53 VAL HG22 H 1 0.868 0.005 . 1 . . . . A 68 VAL HG22 . 34661 1 440 . 1 . 1 53 53 VAL HG23 H 1 0.868 0.005 . 1 . . . . A 68 VAL HG23 . 34661 1 441 . 1 . 1 53 53 VAL CA C 13 59.050 0.000 . 1 . . . . A 68 VAL CA . 34661 1 442 . 1 . 1 53 53 VAL CB C 13 31.073 0.038 . 1 . . . . A 68 VAL CB . 34661 1 443 . 1 . 1 53 53 VAL CG1 C 13 19.068 0.012 . 1 . . . . A 68 VAL CG1 . 34661 1 444 . 1 . 1 53 53 VAL CG2 C 13 21.777 0.070 . 1 . . . . A 68 VAL CG2 . 34661 1 445 . 1 . 1 53 53 VAL N N 15 105.688 0.029 . 1 . . . . A 68 VAL N . 34661 1 446 . 1 . 1 54 54 SER H H 1 7.867 0.010 . 1 . . . . A 69 SER H . 34661 1 447 . 1 . 1 54 54 SER N N 15 118.079 0.000 . 1 . . . . A 69 SER N . 34661 1 448 . 1 . 1 55 55 GLU H H 1 9.315 0.000 . 1 . . . . A 70 GLU H . 34661 1 449 . 1 . 1 55 55 GLU N N 15 121.019 0.000 . 1 . . . . A 70 GLU N . 34661 1 450 . 1 . 1 56 56 LEU H H 1 7.664 0.000 . 1 . . . . A 71 LEU H . 34661 1 451 . 1 . 1 56 56 LEU N N 15 117.890 0.000 . 1 . . . . A 71 LEU N . 34661 1 452 . 1 . 1 57 57 LEU H H 1 7.441 0.000 . 1 . . . . A 72 LEU H . 34661 1 453 . 1 . 1 57 57 LEU HD11 H 1 0.653 0.000 . 1 . . . . A 72 LEU HD11 . 34661 1 454 . 1 . 1 57 57 LEU HD12 H 1 0.653 0.000 . 1 . . . . A 72 LEU HD12 . 34661 1 455 . 1 . 1 57 57 LEU HD13 H 1 0.653 0.000 . 1 . . . . A 72 LEU HD13 . 34661 1 456 . 1 . 1 57 57 LEU CD1 C 13 27.051 0.000 . 1 . . . . A 72 LEU CD1 . 34661 1 457 . 1 . 1 57 57 LEU N N 15 116.555 0.000 . 1 . . . . A 72 LEU N . 34661 1 458 . 1 . 1 58 58 THR H H 1 7.878 0.003 . 1 . . . . A 73 THR H . 34661 1 459 . 1 . 1 58 58 THR HA H 1 4.124 0.001 . 1 . . . . A 73 THR HA . 34661 1 460 . 1 . 1 58 58 THR HG21 H 1 1.291 0.001 . 1 . . . . A 73 THR HG21 . 34661 1 461 . 1 . 1 58 58 THR HG22 H 1 1.291 0.001 . 1 . . . . A 73 THR HG22 . 34661 1 462 . 1 . 1 58 58 THR HG23 H 1 1.291 0.001 . 1 . . . . A 73 THR HG23 . 34661 1 463 . 1 . 1 58 58 THR CA C 13 68.209 0.000 . 1 . . . . A 73 THR CA . 34661 1 464 . 1 . 1 58 58 THR CG2 C 13 22.587 0.000 . 1 . . . . A 73 THR CG2 . 34661 1 465 . 1 . 1 58 58 THR N N 15 117.075 0.019 . 1 . . . . A 73 THR N . 34661 1 466 . 1 . 1 59 59 PRO HA H 1 4.491 0.002 . 1 . . . . A 74 PRO HA . 34661 1 467 . 1 . 1 59 59 PRO HD2 H 1 2.860 0.000 . 1 . . . . A 74 PRO HD2 . 34661 1 468 . 1 . 1 59 59 PRO HD3 H 1 3.365 0.000 . 1 . . . . A 74 PRO HD3 . 34661 1 469 . 1 . 1 59 59 PRO CA C 13 65.380 0.004 . 1 . . . . A 74 PRO CA . 34661 1 470 . 1 . 1 59 59 PRO CD C 13 49.697 0.002 . 1 . . . . A 74 PRO CD . 34661 1 471 . 1 . 1 60 60 LEU H H 1 7.236 0.007 . 1 . . . . A 75 LEU H . 34661 1 472 . 1 . 1 60 60 LEU HA H 1 4.396 0.004 . 1 . . . . A 75 LEU HA . 34661 1 473 . 1 . 1 60 60 LEU HB2 H 1 1.702 0.012 . 1 . . . . A 75 LEU HB2 . 34661 1 474 . 1 . 1 60 60 LEU HB3 H 1 1.935 0.016 . 1 . . . . A 75 LEU HB3 . 34661 1 475 . 1 . 1 60 60 LEU HD11 H 1 0.890 0.004 . 1 . . . . A 75 LEU HD11 . 34661 1 476 . 1 . 1 60 60 LEU HD12 H 1 0.890 0.004 . 1 . . . . A 75 LEU HD12 . 34661 1 477 . 1 . 1 60 60 LEU HD13 H 1 0.890 0.004 . 1 . . . . A 75 LEU HD13 . 34661 1 478 . 1 . 1 60 60 LEU HD21 H 1 0.858 0.000 . 1 . . . . A 75 LEU HD21 . 34661 1 479 . 1 . 1 60 60 LEU HD22 H 1 0.858 0.000 . 1 . . . . A 75 LEU HD22 . 34661 1 480 . 1 . 1 60 60 LEU HD23 H 1 0.858 0.000 . 1 . . . . A 75 LEU HD23 . 34661 1 481 . 1 . 1 60 60 LEU CA C 13 54.618 0.125 . 1 . . . . A 75 LEU CA . 34661 1 482 . 1 . 1 60 60 LEU CB C 13 41.609 0.072 . 1 . . . . A 75 LEU CB . 34661 1 483 . 1 . 1 60 60 LEU CG C 13 26.379 0.025 . 1 . . . . A 75 LEU CG . 34661 1 484 . 1 . 1 60 60 LEU CD1 C 13 26.248 0.049 . 1 . . . . A 75 LEU CD1 . 34661 1 485 . 1 . 1 60 60 LEU CD2 C 13 22.984 0.049 . 1 . . . . A 75 LEU CD2 . 34661 1 486 . 1 . 1 60 60 LEU N N 15 114.907 0.056 . 1 . . . . A 75 LEU N . 34661 1 487 . 1 . 1 61 61 GLY H H 1 8.133 0.003 . 1 . . . . A 76 GLY H . 34661 1 488 . 1 . 1 61 61 GLY HA3 H 1 4.268 0.003 . 1 . . . . A 76 GLY HA3 . 34661 1 489 . 1 . 1 61 61 GLY CA C 13 45.197 0.086 . 1 . . . . A 76 GLY CA . 34661 1 490 . 1 . 1 61 61 GLY N N 15 105.959 0.014 . 1 . . . . A 76 GLY N . 34661 1 491 . 1 . 1 62 62 ILE H H 1 6.974 0.009 . 1 . . . . A 77 ILE H . 34661 1 492 . 1 . 1 62 62 ILE HA H 1 3.742 0.014 . 1 . . . . A 77 ILE HA . 34661 1 493 . 1 . 1 62 62 ILE HB H 1 1.283 0.007 . 1 . . . . A 77 ILE HB . 34661 1 494 . 1 . 1 62 62 ILE HG12 H 1 1.271 0.000 . 1 . . . . A 77 ILE HG12 . 34661 1 495 . 1 . 1 62 62 ILE HG13 H 1 0.898 0.004 . 1 . . . . A 77 ILE HG13 . 34661 1 496 . 1 . 1 62 62 ILE HG21 H 1 0.619 0.001 . 1 . . . . A 77 ILE HG21 . 34661 1 497 . 1 . 1 62 62 ILE HG22 H 1 0.619 0.001 . 1 . . . . A 77 ILE HG22 . 34661 1 498 . 1 . 1 62 62 ILE HG23 H 1 0.619 0.001 . 1 . . . . A 77 ILE HG23 . 34661 1 499 . 1 . 1 62 62 ILE HD11 H 1 -0.465 0.006 . 1 . . . . A 77 ILE HD11 . 34661 1 500 . 1 . 1 62 62 ILE HD12 H 1 -0.465 0.006 . 1 . . . . A 77 ILE HD12 . 34661 1 501 . 1 . 1 62 62 ILE HD13 H 1 -0.465 0.006 . 1 . . . . A 77 ILE HD13 . 34661 1 502 . 1 . 1 62 62 ILE CA C 13 61.551 0.087 . 1 . . . . A 77 ILE CA . 34661 1 503 . 1 . 1 62 62 ILE CB C 13 38.521 0.066 . 1 . . . . A 77 ILE CB . 34661 1 504 . 1 . 1 62 62 ILE CG1 C 13 27.223 0.047 . 1 . . . . A 77 ILE CG1 . 34661 1 505 . 1 . 1 62 62 ILE CG2 C 13 13.806 0.036 . 1 . . . . A 77 ILE CG2 . 34661 1 506 . 1 . 1 62 62 ILE CD1 C 13 13.987 0.028 . 1 . . . . A 77 ILE CD1 . 34661 1 507 . 1 . 1 62 62 ILE N N 15 121.494 0.059 . 1 . . . . A 77 ILE N . 34661 1 508 . 1 . 1 63 63 ASP H H 1 8.257 0.002 . 1 . . . . A 78 ASP H . 34661 1 509 . 1 . 1 63 63 ASP HA H 1 4.667 0.002 . 1 . . . . A 78 ASP HA . 34661 1 510 . 1 . 1 63 63 ASP HB2 H 1 2.974 0.014 . 1 . . . . A 78 ASP HB2 . 34661 1 511 . 1 . 1 63 63 ASP HB3 H 1 2.427 0.003 . 1 . . . . A 78 ASP HB3 . 34661 1 512 . 1 . 1 63 63 ASP CA C 13 51.629 0.067 . 1 . . . . A 78 ASP CA . 34661 1 513 . 1 . 1 63 63 ASP CB C 13 42.216 0.027 . 1 . . . . A 78 ASP CB . 34661 1 514 . 1 . 1 63 63 ASP N N 15 127.926 0.034 . 1 . . . . A 78 ASP N . 34661 1 515 . 1 . 1 64 64 LEU H H 1 8.899 0.009 . 1 . . . . A 79 LEU H . 34661 1 516 . 1 . 1 64 64 LEU HA H 1 3.867 0.006 . 1 . . . . A 79 LEU HA . 34661 1 517 . 1 . 1 64 64 LEU HB3 H 1 1.769 0.008 . 1 . . . . A 79 LEU HB3 . 34661 1 518 . 1 . 1 64 64 LEU HG H 1 1.828 0.000 . 1 . . . . A 79 LEU HG . 34661 1 519 . 1 . 1 64 64 LEU HD11 H 1 0.733 0.003 . 1 . . . . A 79 LEU HD11 . 34661 1 520 . 1 . 1 64 64 LEU HD12 H 1 0.733 0.003 . 1 . . . . A 79 LEU HD12 . 34661 1 521 . 1 . 1 64 64 LEU HD13 H 1 0.733 0.003 . 1 . . . . A 79 LEU HD13 . 34661 1 522 . 1 . 1 64 64 LEU HD21 H 1 0.428 0.002 . 1 . . . . A 79 LEU HD21 . 34661 1 523 . 1 . 1 64 64 LEU HD22 H 1 0.428 0.002 . 1 . . . . A 79 LEU HD22 . 34661 1 524 . 1 . 1 64 64 LEU HD23 H 1 0.428 0.002 . 1 . . . . A 79 LEU HD23 . 34661 1 525 . 1 . 1 64 64 LEU CA C 13 57.440 0.072 . 1 . . . . A 79 LEU CA . 34661 1 526 . 1 . 1 64 64 LEU CB C 13 40.874 0.069 . 1 . . . . A 79 LEU CB . 34661 1 527 . 1 . 1 64 64 LEU CG C 13 25.821 0.073 . 1 . . . . A 79 LEU CG . 34661 1 528 . 1 . 1 64 64 LEU CD1 C 13 25.593 0.057 . 1 . . . . A 79 LEU CD1 . 34661 1 529 . 1 . 1 64 64 LEU CD2 C 13 22.316 0.032 . 1 . . . . A 79 LEU CD2 . 34661 1 530 . 1 . 1 64 64 LEU N N 15 124.675 0.056 . 1 . . . . A 79 LEU N . 34661 1 531 . 1 . 1 65 65 ASP H H 1 8.455 0.000 . 1 . . . . A 80 ASP H . 34661 1 532 . 1 . 1 65 65 ASP HA H 1 4.496 0.002 . 1 . . . . A 80 ASP HA . 34661 1 533 . 1 . 1 65 65 ASP HB2 H 1 2.646 0.005 . 1 . . . . A 80 ASP HB2 . 34661 1 534 . 1 . 1 65 65 ASP HB3 H 1 2.946 0.000 . 1 . . . . A 80 ASP HB3 . 34661 1 535 . 1 . 1 65 65 ASP CA C 13 57.919 0.053 . 1 . . . . A 80 ASP CA . 34661 1 536 . 1 . 1 65 65 ASP CB C 13 39.850 0.085 . 1 . . . . A 80 ASP CB . 34661 1 537 . 1 . 1 65 65 ASP N N 15 121.340 0.000 . 1 . . . . A 80 ASP N . 34661 1 538 . 1 . 1 66 66 GLU H H 1 7.656 0.004 . 1 . . . . A 81 GLU H . 34661 1 539 . 1 . 1 66 66 GLU HA H 1 4.138 0.003 . 1 . . . . A 81 GLU HA . 34661 1 540 . 1 . 1 66 66 GLU HG3 H 1 2.206 0.012 . 1 . . . . A 81 GLU HG3 . 34661 1 541 . 1 . 1 66 66 GLU CA C 13 59.368 0.045 . 1 . . . . A 81 GLU CA . 34661 1 542 . 1 . 1 66 66 GLU CB C 13 29.306 0.000 . 1 . . . . A 81 GLU CB . 34661 1 543 . 1 . 1 66 66 GLU CG C 13 36.332 0.028 . 1 . . . . A 81 GLU CG . 34661 1 544 . 1 . 1 66 66 GLU N N 15 121.652 0.043 . 1 . . . . A 81 GLU N . 34661 1 545 . 1 . 1 67 67 TRP H H 1 9.541 0.585 . 1 . . . . A 82 TRP H . 34661 1 546 . 1 . 1 67 67 TRP HA H 1 4.262 0.004 . 1 . . . . A 82 TRP HA . 34661 1 547 . 1 . 1 67 67 TRP CA C 13 61.567 0.008 . 1 . . . . A 82 TRP CA . 34661 1 548 . 1 . 1 67 67 TRP N N 15 120.212 0.000 . 1 . . . . A 82 TRP N . 34661 1 549 . 1 . 1 67 67 TRP NE1 N 15 128.550 0.000 . 1 . . . . A 82 TRP NE1 . 34661 1 550 . 1 . 1 68 68 SER H H 1 8.592 0.004 . 1 . . . . A 83 SER H . 34661 1 551 . 1 . 1 68 68 SER HA H 1 4.555 0.000 . 1 . . . . A 83 SER HA . 34661 1 552 . 1 . 1 68 68 SER HB3 H 1 4.189 0.004 . 1 . . . . A 83 SER HB3 . 34661 1 553 . 1 . 1 68 68 SER CA C 13 61.471 0.000 . 1 . . . . A 83 SER CA . 34661 1 554 . 1 . 1 68 68 SER CB C 13 63.190 0.062 . 1 . . . . A 83 SER CB . 34661 1 555 . 1 . 1 68 68 SER N N 15 117.312 0.046 . 1 . . . . A 83 SER N . 34661 1 556 . 1 . 1 69 69 MET H H 1 7.243 0.004 . 1 . . . . A 84 MET H . 34661 1 557 . 1 . 1 69 69 MET HA H 1 4.751 0.000 . 1 . . . . A 84 MET HA . 34661 1 558 . 1 . 1 69 69 MET HB2 H 1 2.073 0.007 . 1 . . . . A 84 MET HB2 . 34661 1 559 . 1 . 1 69 69 MET HB3 H 1 2.085 0.009 . 1 . . . . A 84 MET HB3 . 34661 1 560 . 1 . 1 69 69 MET HG2 H 1 2.626 0.005 . 1 . . . . A 84 MET HG2 . 34661 1 561 . 1 . 1 69 69 MET HG3 H 1 2.732 0.003 . 1 . . . . A 84 MET HG3 . 34661 1 562 . 1 . 1 69 69 MET CA C 13 54.288 0.013 . 1 . . . . A 84 MET CA . 34661 1 563 . 1 . 1 69 69 MET CB C 13 33.735 0.093 . 1 . . . . A 84 MET CB . 34661 1 564 . 1 . 1 69 69 MET CG C 13 32.052 0.035 . 1 . . . . A 84 MET CG . 34661 1 565 . 1 . 1 69 69 MET N N 15 118.034 0.036 . 1 . . . . A 84 MET N . 34661 1 566 . 1 . 1 70 70 ALA H H 1 7.133 0.002 . 1 . . . . A 85 ALA H . 34661 1 567 . 1 . 1 70 70 ALA HA H 1 4.378 0.003 . 1 . . . . A 85 ALA HA . 34661 1 568 . 1 . 1 70 70 ALA HB1 H 1 1.105 0.005 . 1 . . . . A 85 ALA HB1 . 34661 1 569 . 1 . 1 70 70 ALA HB2 H 1 1.105 0.005 . 1 . . . . A 85 ALA HB2 . 34661 1 570 . 1 . 1 70 70 ALA HB3 H 1 1.105 0.005 . 1 . . . . A 85 ALA HB3 . 34661 1 571 . 1 . 1 70 70 ALA CA C 13 51.928 0.051 . 1 . . . . A 85 ALA CA . 34661 1 572 . 1 . 1 70 70 ALA CB C 13 19.960 0.000 . 1 . . . . A 85 ALA CB . 34661 1 573 . 1 . 1 70 70 ALA N N 15 123.003 0.000 . 1 . . . . A 85 ALA N . 34661 1 574 . 1 . 1 71 71 THR H H 1 7.836 0.006 . 1 . . . . A 86 THR H . 34661 1 575 . 1 . 1 71 71 THR HA H 1 4.200 0.003 . 1 . . . . A 86 THR HA . 34661 1 576 . 1 . 1 71 71 THR HB H 1 3.726 0.006 . 1 . . . . A 86 THR HB . 34661 1 577 . 1 . 1 71 71 THR CA C 13 63.429 0.040 . 1 . . . . A 86 THR CA . 34661 1 578 . 1 . 1 71 71 THR CB C 13 69.474 0.034 . 1 . . . . A 86 THR CB . 34661 1 579 . 1 . 1 71 71 THR N N 15 116.349 0.015 . 1 . . . . A 86 THR N . 34661 1 580 . 1 . 1 72 72 TYR H H 1 8.489 0.000 . 1 . . . . A 87 TYR H . 34661 1 581 . 1 . 1 72 72 TYR N N 15 127.056 0.000 . 1 . . . . A 87 TYR N . 34661 1 582 . 1 . 1 73 73 TYR H H 1 8.776 0.000 . 1 . . . . A 88 TYR H . 34661 1 583 . 1 . 1 73 73 TYR HA H 1 4.493 0.000 . 1 . . . . A 88 TYR HA . 34661 1 584 . 1 . 1 73 73 TYR N N 15 121.888 0.000 . 1 . . . . A 88 TYR N . 34661 1 585 . 1 . 1 74 74 LEU H H 1 8.446 0.004 . 1 . . . . A 89 LEU H . 34661 1 586 . 1 . 1 74 74 LEU HA H 1 5.487 0.015 . 1 . . . . A 89 LEU HA . 34661 1 587 . 1 . 1 74 74 LEU HB2 H 1 1.437 0.005 . 1 . . . . A 89 LEU HB2 . 34661 1 588 . 1 . 1 74 74 LEU HB3 H 1 1.197 0.007 . 1 . . . . A 89 LEU HB3 . 34661 1 589 . 1 . 1 74 74 LEU HG H 1 1.226 0.003 . 1 . . . . A 89 LEU HG . 34661 1 590 . 1 . 1 74 74 LEU HD11 H 1 0.226 0.004 . 1 . . . . A 89 LEU HD11 . 34661 1 591 . 1 . 1 74 74 LEU HD12 H 1 0.226 0.004 . 1 . . . . A 89 LEU HD12 . 34661 1 592 . 1 . 1 74 74 LEU HD13 H 1 0.226 0.004 . 1 . . . . A 89 LEU HD13 . 34661 1 593 . 1 . 1 74 74 LEU HD21 H 1 0.401 0.002 . 1 . . . . A 89 LEU HD21 . 34661 1 594 . 1 . 1 74 74 LEU HD22 H 1 0.401 0.002 . 1 . . . . A 89 LEU HD22 . 34661 1 595 . 1 . 1 74 74 LEU HD23 H 1 0.401 0.002 . 1 . . . . A 89 LEU HD23 . 34661 1 596 . 1 . 1 74 74 LEU CA C 13 52.036 0.083 . 1 . . . . A 89 LEU CA . 34661 1 597 . 1 . 1 74 74 LEU CB C 13 45.889 0.129 . 1 . . . . A 89 LEU CB . 34661 1 598 . 1 . 1 74 74 LEU CG C 13 27.123 0.084 . 1 . . . . A 89 LEU CG . 34661 1 599 . 1 . 1 74 74 LEU CD1 C 13 26.315 0.059 . 1 . . . . A 89 LEU CD1 . 34661 1 600 . 1 . 1 74 74 LEU CD2 C 13 24.927 0.026 . 1 . . . . A 89 LEU CD2 . 34661 1 601 . 1 . 1 74 74 LEU N N 15 122.906 0.031 . 1 . . . . A 89 LEU N . 34661 1 602 . 1 . 1 75 75 PHE H H 1 7.634 0.000 . 1 . . . . A 90 PHE H . 34661 1 603 . 1 . 1 75 75 PHE HA H 1 5.162 0.001 . 1 . . . . A 90 PHE HA . 34661 1 604 . 1 . 1 75 75 PHE HB3 H 1 2.778 0.000 . 1 . . . . A 90 PHE HB3 . 34661 1 605 . 1 . 1 75 75 PHE CA C 13 54.473 0.046 . 1 . . . . A 90 PHE CA . 34661 1 606 . 1 . 1 75 75 PHE CB C 13 40.461 0.054 . 1 . . . . A 90 PHE CB . 34661 1 607 . 1 . 1 75 75 PHE N N 15 113.211 0.000 . 1 . . . . A 90 PHE N . 34661 1 608 . 1 . 1 76 76 ASP H H 1 9.161 0.006 . 1 . . . . A 91 ASP H . 34661 1 609 . 1 . 1 76 76 ASP HA H 1 4.957 0.002 . 1 . . . . A 91 ASP HA . 34661 1 610 . 1 . 1 76 76 ASP HB3 H 1 2.729 0.000 . 1 . . . . A 91 ASP HB3 . 34661 1 611 . 1 . 1 76 76 ASP CA C 13 52.867 0.067 . 1 . . . . A 91 ASP CA . 34661 1 612 . 1 . 1 76 76 ASP CB C 13 41.833 0.000 . 1 . . . . A 91 ASP CB . 34661 1 613 . 1 . 1 76 76 ASP N N 15 120.105 0.030 . 1 . . . . A 91 ASP N . 34661 1 614 . 1 . 1 77 77 GLU H H 1 8.955 0.003 . 1 . . . . A 92 GLU H . 34661 1 615 . 1 . 1 77 77 GLU HA H 1 4.197 0.007 . 1 . . . . A 92 GLU HA . 34661 1 616 . 1 . 1 77 77 GLU HB3 H 1 2.286 0.003 . 1 . . . . A 92 GLU HB3 . 34661 1 617 . 1 . 1 77 77 GLU HG3 H 1 2.461 0.002 . 1 . . . . A 92 GLU HG3 . 34661 1 618 . 1 . 1 77 77 GLU CA C 13 59.190 0.079 . 1 . . . . A 92 GLU CA . 34661 1 619 . 1 . 1 77 77 GLU CB C 13 29.619 0.043 . 1 . . . . A 92 GLU CB . 34661 1 620 . 1 . 1 77 77 GLU CG C 13 36.250 0.122 . 1 . . . . A 92 GLU CG . 34661 1 621 . 1 . 1 77 77 GLU N N 15 115.421 0.013 . 1 . . . . A 92 GLU N . 34661 1 622 . 1 . 1 78 78 SER H H 1 8.442 0.004 . 1 . . . . A 93 SER H . 34661 1 623 . 1 . 1 78 78 SER HA H 1 4.673 0.003 . 1 . . . . A 93 SER HA . 34661 1 624 . 1 . 1 78 78 SER HB3 H 1 4.066 0.003 . 1 . . . . A 93 SER HB3 . 34661 1 625 . 1 . 1 78 78 SER CA C 13 58.097 0.055 . 1 . . . . A 93 SER CA . 34661 1 626 . 1 . 1 78 78 SER CB C 13 64.038 0.056 . 1 . . . . A 93 SER CB . 34661 1 627 . 1 . 1 78 78 SER N N 15 114.792 0.004 . 1 . . . . A 93 SER N . 34661 1 628 . 1 . 1 79 79 GLY H H 1 8.478 0.002 . 1 . . . . A 94 GLY H . 34661 1 629 . 1 . 1 79 79 GLY HA3 H 1 3.932 0.003 . 1 . . . . A 94 GLY HA3 . 34661 1 630 . 1 . 1 79 79 GLY CA C 13 45.374 0.051 . 1 . . . . A 94 GLY CA . 34661 1 631 . 1 . 1 79 79 GLY N N 15 110.230 0.015 . 1 . . . . A 94 GLY N . 34661 1 632 . 1 . 1 80 80 GLU H H 1 8.489 0.000 . 1 . . . . A 95 GLU H . 34661 1 633 . 1 . 1 80 80 GLU HA H 1 4.271 0.000 . 1 . . . . A 95 GLU HA . 34661 1 634 . 1 . 1 80 80 GLU CA C 13 55.125 0.000 . 1 . . . . A 95 GLU CA . 34661 1 635 . 1 . 1 80 80 GLU CG C 13 36.803 0.000 . 1 . . . . A 95 GLU CG . 34661 1 636 . 1 . 1 80 80 GLU N N 15 118.191 0.000 . 1 . . . . A 95 GLU N . 34661 1 637 . 1 . 1 81 81 PHE H H 1 9.122 0.003 . 1 . . . . A 96 PHE H . 34661 1 638 . 1 . 1 81 81 PHE HA H 1 5.072 0.006 . 1 . . . . A 96 PHE HA . 34661 1 639 . 1 . 1 81 81 PHE HB3 H 1 3.190 0.004 . 1 . . . . A 96 PHE HB3 . 34661 1 640 . 1 . 1 81 81 PHE CA C 13 55.533 0.087 . 1 . . . . A 96 PHE CA . 34661 1 641 . 1 . 1 81 81 PHE CB C 13 36.515 0.057 . 1 . . . . A 96 PHE CB . 34661 1 642 . 1 . 1 81 81 PHE N N 15 125.005 0.023 . 1 . . . . A 96 PHE N . 34661 1 643 . 1 . 1 82 82 LYS H H 1 7.826 0.004 . 1 . . . . A 97 LYS H . 34661 1 644 . 1 . 1 82 82 LYS HA H 1 4.557 0.005 . 1 . . . . A 97 LYS HA . 34661 1 645 . 1 . 1 82 82 LYS HB2 H 1 1.762 0.002 . 1 . . . . A 97 LYS HB2 . 34661 1 646 . 1 . 1 82 82 LYS HB3 H 1 1.663 0.005 . 1 . . . . A 97 LYS HB3 . 34661 1 647 . 1 . 1 82 82 LYS HG2 H 1 1.384 0.002 . 1 . . . . A 97 LYS HG2 . 34661 1 648 . 1 . 1 82 82 LYS HG3 H 1 1.318 0.002 . 1 . . . . A 97 LYS HG3 . 34661 1 649 . 1 . 1 82 82 LYS HD3 H 1 1.715 0.000 . 1 . . . . A 97 LYS HD3 . 34661 1 650 . 1 . 1 82 82 LYS HE3 H 1 3.012 0.008 . 1 . . . . A 97 LYS HE3 . 34661 1 651 . 1 . 1 82 82 LYS CA C 13 54.722 0.115 . 1 . . . . A 97 LYS CA . 34661 1 652 . 1 . 1 82 82 LYS CB C 13 36.258 0.063 . 1 . . . . A 97 LYS CB . 34661 1 653 . 1 . 1 82 82 LYS CG C 13 24.822 0.098 . 1 . . . . A 97 LYS CG . 34661 1 654 . 1 . 1 82 82 LYS CD C 13 29.507 0.071 . 1 . . . . A 97 LYS CD . 34661 1 655 . 1 . 1 82 82 LYS CE C 13 42.227 0.053 . 1 . . . . A 97 LYS CE . 34661 1 656 . 1 . 1 82 82 LYS N N 15 123.604 0.033 . 1 . . . . A 97 LYS N . 34661 1 657 . 1 . 1 83 83 LEU H H 1 8.462 0.000 . 1 . . . . A 98 LEU H . 34661 1 658 . 1 . 1 83 83 LEU HA H 1 4.214 0.001 . 1 . . . . A 98 LEU HA . 34661 1 659 . 1 . 1 83 83 LEU HB2 H 1 1.304 0.002 . 1 . . . . A 98 LEU HB2 . 34661 1 660 . 1 . 1 83 83 LEU HB3 H 1 1.485 0.002 . 1 . . . . A 98 LEU HB3 . 34661 1 661 . 1 . 1 83 83 LEU HG H 1 1.481 0.001 . 1 . . . . A 98 LEU HG . 34661 1 662 . 1 . 1 83 83 LEU HD11 H 1 0.666 0.000 . 1 . . . . A 98 LEU HD11 . 34661 1 663 . 1 . 1 83 83 LEU HD12 H 1 0.666 0.000 . 1 . . . . A 98 LEU HD12 . 34661 1 664 . 1 . 1 83 83 LEU HD13 H 1 0.666 0.000 . 1 . . . . A 98 LEU HD13 . 34661 1 665 . 1 . 1 83 83 LEU HD21 H 1 0.730 0.001 . 1 . . . . A 98 LEU HD21 . 34661 1 666 . 1 . 1 83 83 LEU HD22 H 1 0.730 0.001 . 1 . . . . A 98 LEU HD22 . 34661 1 667 . 1 . 1 83 83 LEU HD23 H 1 0.730 0.001 . 1 . . . . A 98 LEU HD23 . 34661 1 668 . 1 . 1 83 83 LEU CA C 13 55.625 0.099 . 1 . . . . A 98 LEU CA . 34661 1 669 . 1 . 1 83 83 LEU CB C 13 42.501 0.053 . 1 . . . . A 98 LEU CB . 34661 1 670 . 1 . 1 83 83 LEU CG C 13 27.027 0.111 . 1 . . . . A 98 LEU CG . 34661 1 671 . 1 . 1 83 83 LEU CD1 C 13 24.699 0.033 . 1 . . . . A 98 LEU CD1 . 34661 1 672 . 1 . 1 83 83 LEU CD2 C 13 24.907 0.039 . 1 . . . . A 98 LEU CD2 . 34661 1 673 . 1 . 1 83 83 LEU N N 15 121.080 0.000 . 1 . . . . A 98 LEU N . 34661 1 674 . 1 . 1 84 84 ALA H H 1 7.774 0.000 . 1 . . . . A 99 ALA H . 34661 1 675 . 1 . 1 84 84 ALA HA H 1 3.979 0.009 . 1 . . . . A 99 ALA HA . 34661 1 676 . 1 . 1 84 84 ALA HB1 H 1 1.101 0.000 . 1 . . . . A 99 ALA HB1 . 34661 1 677 . 1 . 1 84 84 ALA HB2 H 1 1.101 0.000 . 1 . . . . A 99 ALA HB2 . 34661 1 678 . 1 . 1 84 84 ALA HB3 H 1 1.101 0.000 . 1 . . . . A 99 ALA HB3 . 34661 1 679 . 1 . 1 84 84 ALA CA C 13 51.278 0.209 . 1 . . . . A 99 ALA CA . 34661 1 680 . 1 . 1 84 84 ALA CB C 13 19.957 0.163 . 1 . . . . A 99 ALA CB . 34661 1 681 . 1 . 1 84 84 ALA N N 15 127.567 0.000 . 1 . . . . A 99 ALA N . 34661 1 682 . 1 . 1 85 85 SER H H 1 8.668 0.005 . 1 . . . . A 100 SER H . 34661 1 683 . 1 . 1 85 85 SER HA H 1 4.673 0.018 . 1 . . . . A 100 SER HA . 34661 1 684 . 1 . 1 85 85 SER HB2 H 1 4.162 0.002 . 1 . . . . A 100 SER HB2 . 34661 1 685 . 1 . 1 85 85 SER CA C 13 61.212 0.000 . 1 . . . . A 100 SER CA . 34661 1 686 . 1 . 1 85 85 SER CB C 13 63.156 0.038 . 1 . . . . A 100 SER CB . 34661 1 687 . 1 . 1 85 85 SER N N 15 112.869 0.000 . 1 . . . . A 100 SER N . 34661 1 688 . 1 . 1 86 86 HIS H H 1 7.676 0.004 . 1 . . . . A 101 HIS H . 34661 1 689 . 1 . 1 86 86 HIS HA H 1 5.691 0.012 . 1 . . . . A 101 HIS HA . 34661 1 690 . 1 . 1 86 86 HIS HB3 H 1 3.026 0.000 . 1 . . . . A 101 HIS HB3 . 34661 1 691 . 1 . 1 86 86 HIS CA C 13 53.425 0.054 . 1 . . . . A 101 HIS CA . 34661 1 692 . 1 . 1 86 86 HIS CB C 13 30.667 0.017 . 1 . . . . A 101 HIS CB . 34661 1 693 . 1 . 1 86 86 HIS N N 15 118.982 0.029 . 1 . . . . A 101 HIS N . 34661 1 694 . 1 . 1 87 87 MET H H 1 8.263 0.002 . 1 . . . . A 102 MET H . 34661 1 695 . 1 . 1 87 87 MET HA H 1 4.685 0.002 . 1 . . . . A 102 MET HA . 34661 1 696 . 1 . 1 87 87 MET HB3 H 1 1.984 0.000 . 1 . . . . A 102 MET HB3 . 34661 1 697 . 1 . 1 87 87 MET CA C 13 53.878 0.052 . 1 . . . . A 102 MET CA . 34661 1 698 . 1 . 1 87 87 MET N N 15 122.740 0.028 . 1 . . . . A 102 MET N . 34661 1 699 . 1 . 1 88 88 TYR H H 1 8.845 0.000 . 1 . . . . A 103 TYR H . 34661 1 700 . 1 . 1 88 88 TYR N N 15 118.891 0.000 . 1 . . . . A 103 TYR N . 34661 1 701 . 1 . 1 89 89 CYS H H 1 7.452 0.000 . 1 . . . . A 104 CYS H . 34661 1 702 . 1 . 1 89 89 CYS HA H 1 5.434 0.000 . 1 . . . . A 104 CYS HA . 34661 1 703 . 1 . 1 89 89 CYS CA C 13 55.585 0.000 . 1 . . . . A 104 CYS CA . 34661 1 704 . 1 . 1 89 89 CYS N N 15 117.648 0.000 . 1 . . . . A 104 CYS N . 34661 1 705 . 1 . 1 90 90 SER H H 1 8.941 0.000 . 1 . . . . A 105 SER H . 34661 1 706 . 1 . 1 90 90 SER N N 15 121.230 0.000 . 1 . . . . A 105 SER N . 34661 1 707 . 1 . 1 91 91 PHE H H 1 8.427 0.007 . 1 . . . . A 106 PHE H . 34661 1 708 . 1 . 1 91 91 PHE HA H 1 4.140 0.005 . 1 . . . . A 106 PHE HA . 34661 1 709 . 1 . 1 91 91 PHE HB2 H 1 2.184 0.003 . 1 . . . . A 106 PHE HB2 . 34661 1 710 . 1 . 1 91 91 PHE HB3 H 1 2.396 0.003 . 1 . . . . A 106 PHE HB3 . 34661 1 711 . 1 . 1 91 91 PHE CA C 13 59.217 0.054 . 1 . . . . A 106 PHE CA . 34661 1 712 . 1 . 1 91 91 PHE CB C 13 36.303 0.039 . 1 . . . . A 106 PHE CB . 34661 1 713 . 1 . 1 91 91 PHE N N 15 121.879 0.000 . 1 . . . . A 106 PHE N . 34661 1 714 . 1 . 1 92 92 TYR H H 1 8.736 0.003 . 1 . . . . A 107 TYR H . 34661 1 715 . 1 . 1 92 92 TYR HA H 1 4.278 0.002 . 1 . . . . A 107 TYR HA . 34661 1 716 . 1 . 1 92 92 TYR CA C 13 55.174 0.000 . 1 . . . . A 107 TYR CA . 34661 1 717 . 1 . 1 92 92 TYR CB C 13 42.007 0.000 . 1 . . . . A 107 TYR CB . 34661 1 718 . 1 . 1 92 92 TYR N N 15 119.528 0.011 . 1 . . . . A 107 TYR N . 34661 1 719 . 1 . 1 95 95 ASP H H 1 8.045 0.003 . 1 . . . . A 110 ASP H . 34661 1 720 . 1 . 1 95 95 ASP HA H 1 4.440 0.006 . 1 . . . . A 110 ASP HA . 34661 1 721 . 1 . 1 95 95 ASP HB2 H 1 2.554 0.008 . 1 . . . . A 110 ASP HB2 . 34661 1 722 . 1 . 1 95 95 ASP HB3 H 1 2.531 0.022 . 1 . . . . A 110 ASP HB3 . 34661 1 723 . 1 . 1 95 95 ASP CA C 13 53.941 0.066 . 1 . . . . A 110 ASP CA . 34661 1 724 . 1 . 1 95 95 ASP CB C 13 41.117 0.054 . 1 . . . . A 110 ASP CB . 34661 1 725 . 1 . 1 95 95 ASP N N 15 119.317 0.005 . 1 . . . . A 110 ASP N . 34661 1 726 . 1 . 1 96 96 GLU H H 1 7.702 0.000 . 1 . . . . A 111 GLU H . 34661 1 727 . 1 . 1 96 96 GLU HA H 1 4.030 0.006 . 1 . . . . A 111 GLU HA . 34661 1 728 . 1 . 1 96 96 GLU HB2 H 1 1.786 0.003 . 1 . . . . A 111 GLU HB2 . 34661 1 729 . 1 . 1 96 96 GLU HB3 H 1 1.975 0.008 . 1 . . . . A 111 GLU HB3 . 34661 1 730 . 1 . 1 96 96 GLU HG3 H 1 2.131 0.007 . 1 . . . . A 111 GLU HG3 . 34661 1 731 . 1 . 1 96 96 GLU CA C 13 58.071 0.072 . 1 . . . . A 111 GLU CA . 34661 1 732 . 1 . 1 96 96 GLU CB C 13 31.333 0.078 . 1 . . . . A 111 GLU CB . 34661 1 733 . 1 . 1 96 96 GLU CG C 13 36.650 0.046 . 1 . . . . A 111 GLU CG . 34661 1 734 . 1 . 1 96 96 GLU N N 15 125.615 0.012 . 1 . . . . A 111 GLU N . 34661 1 735 . 2 . 2 1 1 ARG H H 1 8.319 0.003 . 1 . . . . B 191 ARG H1 . 34661 1 736 . 2 . 2 1 1 ARG HA H 1 4.347 0.009 . 1 . . . . B 191 ARG HA . 34661 1 737 . 2 . 2 1 1 ARG HB2 H 1 1.779 0.001 . 1 . . . . B 191 ARG HB2 . 34661 1 738 . 2 . 2 1 1 ARG HG3 H 1 1.608 0.002 . 1 . . . . B 191 ARG HG3 . 34661 1 739 . 2 . 2 1 1 ARG HD3 H 1 3.110 0.002 . 1 . . . . B 191 ARG HD3 . 34661 1 740 . 2 . 2 1 1 ARG CA C 13 56.340 0.070 . 1 . . . . B 191 ARG CA . 34661 1 741 . 2 . 2 1 1 ARG CB C 13 30.789 0.073 . 1 . . . . B 191 ARG CB . 34661 1 742 . 2 . 2 1 1 ARG CG C 13 27.186 0.043 . 1 . . . . B 191 ARG CG . 34661 1 743 . 2 . 2 1 1 ARG CD C 13 43.323 0.038 . 1 . . . . B 191 ARG CD . 34661 1 744 . 2 . 2 1 1 ARG N N 15 122.530 0.028 . 1 . . . . B 191 ARG N . 34661 1 745 . 2 . 2 2 2 ASN H H 1 8.399 0.003 . 1 . . . . B 192 ASN H . 34661 1 746 . 2 . 2 2 2 ASN HA H 1 4.688 0.002 . 1 . . . . B 192 ASN HA . 34661 1 747 . 2 . 2 2 2 ASN HB2 H 1 2.758 0.002 . 1 . . . . B 192 ASN HB2 . 34661 1 748 . 2 . 2 2 2 ASN CA C 13 53.431 0.107 . 1 . . . . B 192 ASN CA . 34661 1 749 . 2 . 2 2 2 ASN CB C 13 38.954 0.090 . 1 . . . . B 192 ASN CB . 34661 1 750 . 2 . 2 2 2 ASN N N 15 119.348 0.012 . 1 . . . . B 192 ASN N . 34661 1 751 . 2 . 2 3 3 SER H H 1 8.248 0.009 . 1 . . . . B 193 SER H . 34661 1 752 . 2 . 2 3 3 SER HA H 1 4.495 0.002 . 1 . . . . B 193 SER HA . 34661 1 753 . 2 . 2 3 3 SER HB3 H 1 3.879 0.001 . 1 . . . . B 193 SER HB3 . 34661 1 754 . 2 . 2 3 3 SER CA C 13 58.461 0.063 . 1 . . . . B 193 SER CA . 34661 1 755 . 2 . 2 3 3 SER CB C 13 63.871 0.058 . 1 . . . . B 193 SER CB . 34661 1 756 . 2 . 2 3 3 SER N N 15 116.160 0.002 . 1 . . . . B 193 SER N . 34661 1 757 . 2 . 2 4 4 SER H H 1 8.230 0.003 . 1 . . . . B 194 SER H . 34661 1 758 . 2 . 2 4 4 SER N N 15 117.756 0.020 . 1 . . . . B 194 SER N . 34661 1 759 . 2 . 2 9 9 PRO HA H 1 4.415 0.001 . 1 . . . . B 199 PRO HA . 34661 1 760 . 2 . 2 9 9 PRO HB2 H 1 1.916 0.003 . 1 . . . . B 199 PRO HB2 . 34661 1 761 . 2 . 2 9 9 PRO HG2 H 1 2.013 0.002 . 1 . . . . B 199 PRO HG2 . 34661 1 762 . 2 . 2 9 9 PRO HD2 H 1 3.674 0.001 . 1 . . . . B 199 PRO HD2 . 34661 1 763 . 2 . 2 9 9 PRO CA C 13 63.655 0.111 . 1 . . . . B 199 PRO CA . 34661 1 764 . 2 . 2 9 9 PRO CB C 13 32.113 0.115 . 1 . . . . B 199 PRO CB . 34661 1 765 . 2 . 2 9 9 PRO CG C 13 27.479 0.035 . 1 . . . . B 199 PRO CG . 34661 1 766 . 2 . 2 9 9 PRO CD C 13 50.990 0.046 . 1 . . . . B 199 PRO CD . 34661 1 767 . 2 . 2 10 10 GLY H H 1 8.581 0.001 . 1 . . . . B 200 GLY H . 34661 1 768 . 2 . 2 10 10 GLY HA3 H 1 4.010 0.002 . 1 . . . . B 200 GLY HA3 . 34661 1 769 . 2 . 2 10 10 GLY CA C 13 45.668 0.287 . 1 . . . . B 200 GLY CA . 34661 1 770 . 2 . 2 10 10 GLY N N 15 109.854 0.017 . 1 . . . . B 200 GLY N . 34661 1 771 . 2 . 2 11 11 SER H H 1 8.140 0.004 . 1 . . . . B 201 SER H . 34661 1 772 . 2 . 2 11 11 SER HA H 1 4.455 0.001 . 1 . . . . B 201 SER HA . 34661 1 773 . 2 . 2 11 11 SER HB3 H 1 3.923 0.002 . 1 . . . . B 201 SER HB3 . 34661 1 774 . 2 . 2 11 11 SER CA C 13 58.695 0.074 . 1 . . . . B 201 SER CA . 34661 1 775 . 2 . 2 11 11 SER CB C 13 63.895 0.049 . 1 . . . . B 201 SER CB . 34661 1 776 . 2 . 2 11 11 SER N N 15 115.378 0.017 . 1 . . . . B 201 SER N . 34661 1 777 . 2 . 2 12 12 SER H H 1 8.446 0.000 . 1 . . . . B 202 SER H . 34661 1 778 . 2 . 2 12 12 SER HA H 1 4.443 0.016 . 1 . . . . B 202 SER HA . 34661 1 779 . 2 . 2 12 12 SER HB3 H 1 3.971 0.012 . 1 . . . . B 202 SER HB3 . 34661 1 780 . 2 . 2 12 12 SER CA C 13 58.650 0.120 . 1 . . . . B 202 SER CA . 34661 1 781 . 2 . 2 12 12 SER CB C 13 63.889 0.119 . 1 . . . . B 202 SER CB . 34661 1 782 . 2 . 2 12 12 SER N N 15 118.043 0.013 . 1 . . . . B 202 SER N . 34661 1 783 . 2 . 2 13 13 ARG H H 1 8.380 0.003 . 1 . . . . B 203 ARG H . 34661 1 784 . 2 . 2 13 13 ARG HA H 1 4.291 0.009 . 1 . . . . B 203 ARG HA . 34661 1 785 . 2 . 2 13 13 ARG HB2 H 1 1.716 0.002 . 1 . . . . B 203 ARG HB2 . 34661 1 786 . 2 . 2 13 13 ARG HG2 H 1 1.527 0.021 . 1 . . . . B 203 ARG HG2 . 34661 1 787 . 2 . 2 13 13 ARG HD3 H 1 3.185 0.013 . 1 . . . . B 203 ARG HD3 . 34661 1 788 . 2 . 2 13 13 ARG CA C 13 56.372 0.080 . 1 . . . . B 203 ARG CA . 34661 1 789 . 2 . 2 13 13 ARG CB C 13 30.799 0.077 . 1 . . . . B 203 ARG CB . 34661 1 790 . 2 . 2 13 13 ARG CG C 13 27.249 0.118 . 1 . . . . B 203 ARG CG . 34661 1 791 . 2 . 2 13 13 ARG CD C 13 43.342 0.086 . 1 . . . . B 203 ARG CD . 34661 1 792 . 2 . 2 13 13 ARG N N 15 122.736 0.014 . 1 . . . . B 203 ARG N . 34661 1 793 . 2 . 2 14 14 GLY H H 1 8.418 0.002 . 1 . . . . B 204 GLY H . 34661 1 794 . 2 . 2 14 14 GLY HA3 H 1 3.971 0.001 . 1 . . . . B 204 GLY HA3 . 34661 1 795 . 2 . 2 14 14 GLY CA C 13 45.640 0.336 . 1 . . . . B 204 GLY CA . 34661 1 796 . 2 . 2 14 14 GLY N N 15 109.776 0.029 . 1 . . . . B 204 GLY N . 34661 1 797 . 2 . 2 15 15 THR H H 1 8.069 0.002 . 1 . . . . B 205 THR H . 34661 1 798 . 2 . 2 15 15 THR HA H 1 4.258 0.014 . 1 . . . . B 205 THR HA . 34661 1 799 . 2 . 2 15 15 THR HB H 1 4.042 0.000 . 1 . . . . B 205 THR HB . 34661 1 800 . 2 . 2 15 15 THR HG21 H 1 1.185 0.001 . 1 . . . . B 205 THR HG21 . 34661 1 801 . 2 . 2 15 15 THR HG22 H 1 1.185 0.001 . 1 . . . . B 205 THR HG22 . 34661 1 802 . 2 . 2 15 15 THR HG23 H 1 1.185 0.001 . 1 . . . . B 205 THR HG23 . 34661 1 803 . 2 . 2 15 15 THR CA C 13 61.821 0.184 . 1 . . . . B 205 THR CA . 34661 1 804 . 2 . 2 15 15 THR CB C 13 69.409 0.327 . 1 . . . . B 205 THR CB . 34661 1 805 . 2 . 2 15 15 THR CG2 C 13 21.645 0.088 . 1 . . . . B 205 THR CG2 . 34661 1 806 . 2 . 2 15 15 THR N N 15 113.209 0.034 . 1 . . . . B 205 THR N . 34661 1 807 . 2 . 2 16 16 SER H H 1 8.361 0.002 . 1 . . . . B 206 SER H . 34661 1 808 . 2 . 2 16 16 SER HB3 H 1 3.879 0.002 . 1 . . . . B 206 SER HB3 . 34661 1 809 . 2 . 2 16 16 SER CA C 13 56.492 0.000 . 1 . . . . B 206 SER CA . 34661 1 810 . 2 . 2 16 16 SER CB C 13 63.681 0.165 . 1 . . . . B 206 SER CB . 34661 1 811 . 2 . 2 16 16 SER N N 15 119.430 0.015 . 1 . . . . B 206 SER N . 34661 1 812 . 2 . 2 17 17 PRO HA H 1 4.453 0.000 . 1 . . . . B 207 PRO HA . 34661 1 813 . 2 . 2 17 17 PRO HB3 H 1 1.917 0.000 . 1 . . . . B 207 PRO HB3 . 34661 1 814 . 2 . 2 17 17 PRO HG2 H 1 1.936 0.000 . 1 . . . . B 207 PRO HG2 . 34661 1 815 . 2 . 2 17 17 PRO HD3 H 1 3.722 0.000 . 1 . . . . B 207 PRO HD3 . 34661 1 816 . 2 . 2 17 17 PRO CA C 13 63.392 0.011 . 1 . . . . B 207 PRO CA . 34661 1 817 . 2 . 2 17 17 PRO CB C 13 31.922 0.025 . 1 . . . . B 207 PRO CB . 34661 1 818 . 2 . 2 17 17 PRO CG C 13 27.305 0.068 . 1 . . . . B 207 PRO CG . 34661 1 819 . 2 . 2 17 17 PRO CD C 13 50.760 0.030 . 1 . . . . B 207 PRO CD . 34661 1 820 . 2 . 2 18 18 ALA H H 1 8.303 0.002 . 1 . . . . B 208 ALA H . 34661 1 821 . 2 . 2 18 18 ALA HA H 1 4.292 0.001 . 1 . . . . B 208 ALA HA . 34661 1 822 . 2 . 2 18 18 ALA HB1 H 1 1.385 0.000 . 1 . . . . B 208 ALA HB1 . 34661 1 823 . 2 . 2 18 18 ALA HB2 H 1 1.385 0.000 . 1 . . . . B 208 ALA HB2 . 34661 1 824 . 2 . 2 18 18 ALA HB3 H 1 1.385 0.000 . 1 . . . . B 208 ALA HB3 . 34661 1 825 . 2 . 2 18 18 ALA CA C 13 52.789 0.063 . 1 . . . . B 208 ALA CA . 34661 1 826 . 2 . 2 18 18 ALA CB C 13 19.204 0.074 . 1 . . . . B 208 ALA CB . 34661 1 827 . 2 . 2 18 18 ALA N N 15 123.518 0.010 . 1 . . . . B 208 ALA N . 34661 1 828 . 2 . 2 19 19 ARG H H 1 8.234 0.001 . 1 . . . . B 209 ARG H . 34661 1 829 . 2 . 2 19 19 ARG HB3 H 1 1.874 0.002 . 1 . . . . B 209 ARG HB3 . 34661 1 830 . 2 . 2 19 19 ARG HD3 H 1 3.311 0.006 . 1 . . . . B 209 ARG HD3 . 34661 1 831 . 2 . 2 19 19 ARG CA C 13 56.289 0.091 . 1 . . . . B 209 ARG CA . 34661 1 832 . 2 . 2 19 19 ARG CB C 13 30.720 0.076 . 1 . . . . B 209 ARG CB . 34661 1 833 . 2 . 2 19 19 ARG CG C 13 27.291 0.156 . 1 . . . . B 209 ARG CG . 34661 1 834 . 2 . 2 19 19 ARG CD C 13 43.396 0.040 . 1 . . . . B 209 ARG CD . 34661 1 835 . 2 . 2 19 19 ARG N N 15 119.754 0.005 . 1 . . . . B 209 ARG N . 34661 1 836 . 2 . 2 20 20 MET H H 1 8.346 0.005 . 1 . . . . B 210 MET H . 34661 1 837 . 2 . 2 20 20 MET HA H 1 4.470 0.000 . 1 . . . . B 210 MET HA . 34661 1 838 . 2 . 2 20 20 MET HG3 H 1 2.545 0.000 . 1 . . . . B 210 MET HG3 . 34661 1 839 . 2 . 2 20 20 MET CA C 13 55.553 0.039 . 1 . . . . B 210 MET CA . 34661 1 840 . 2 . 2 20 20 MET CG C 13 32.200 0.140 . 1 . . . . B 210 MET CG . 34661 1 841 . 2 . 2 20 20 MET N N 15 121.351 0.048 . 1 . . . . B 210 MET N . 34661 1 842 . 2 . 2 21 21 ALA H H 1 8.333 0.001 . 1 . . . . B 211 ALA H . 34661 1 843 . 2 . 2 21 21 ALA HA H 1 4.358 0.003 . 1 . . . . B 211 ALA HA . 34661 1 844 . 2 . 2 21 21 ALA HB1 H 1 1.541 0.000 . 1 . . . . B 211 ALA HB1 . 34661 1 845 . 2 . 2 21 21 ALA HB2 H 1 1.541 0.000 . 1 . . . . B 211 ALA HB2 . 34661 1 846 . 2 . 2 21 21 ALA HB3 H 1 1.541 0.000 . 1 . . . . B 211 ALA HB3 . 34661 1 847 . 2 . 2 21 21 ALA CA C 13 52.664 0.075 . 1 . . . . B 211 ALA CA . 34661 1 848 . 2 . 2 21 21 ALA CB C 13 18.898 0.551 . 1 . . . . B 211 ALA CB . 34661 1 849 . 2 . 2 21 21 ALA N N 15 125.043 0.023 . 1 . . . . B 211 ALA N . 34661 1 850 . 2 . 2 22 22 GLY H H 1 8.438 0.001 . 1 . . . . B 212 GLY H . 34661 1 851 . 2 . 2 22 22 GLY HA3 H 1 4.016 0.004 . 1 . . . . B 212 GLY HA3 . 34661 1 852 . 2 . 2 22 22 GLY CA C 13 45.813 0.323 . 1 . . . . B 212 GLY CA . 34661 1 853 . 2 . 2 22 22 GLY N N 15 108.272 0.021 . 1 . . . . B 212 GLY N . 34661 1 854 . 2 . 2 23 23 ASN H H 1 8.439 0.000 . 1 . . . . B 213 ASN H . 34661 1 855 . 2 . 2 23 23 ASN HB3 H 1 2.852 0.001 . 1 . . . . B 213 ASN HB3 . 34661 1 856 . 2 . 2 23 23 ASN CA C 13 53.330 0.040 . 1 . . . . B 213 ASN CA . 34661 1 857 . 2 . 2 23 23 ASN CB C 13 39.086 0.126 . 1 . . . . B 213 ASN CB . 34661 1 858 . 2 . 2 23 23 ASN N N 15 118.695 0.005 . 1 . . . . B 213 ASN N . 34661 1 859 . 2 . 2 24 24 GLY H H 1 8.613 0.000 . 1 . . . . B 214 GLY H . 34661 1 860 . 2 . 2 24 24 GLY HA3 H 1 3.977 0.035 . 1 . . . . B 214 GLY HA3 . 34661 1 861 . 2 . 2 24 24 GLY CA C 13 45.495 0.022 . 1 . . . . B 214 GLY CA . 34661 1 862 . 2 . 2 24 24 GLY N N 15 109.626 0.017 . 1 . . . . B 214 GLY N . 34661 1 863 . 2 . 2 25 25 GLY H H 1 8.405 0.004 . 1 . . . . B 215 GLY H . 34661 1 864 . 2 . 2 25 25 GLY CA C 13 45.475 0.000 . 1 . . . . B 215 GLY CA . 34661 1 865 . 2 . 2 25 25 GLY N N 15 109.044 0.046 . 1 . . . . B 215 GLY N . 34661 1 866 . 2 . 2 26 26 ASP H H 1 8.357 0.008 . 1 . . . . B 216 ASP H . 34661 1 867 . 2 . 2 26 26 ASP HA H 1 4.578 0.004 . 1 . . . . B 216 ASP HA . 34661 1 868 . 2 . 2 26 26 ASP HB3 H 1 2.717 0.001 . 1 . . . . B 216 ASP HB3 . 34661 1 869 . 2 . 2 26 26 ASP CA C 13 54.696 0.021 . 1 . . . . B 216 ASP CA . 34661 1 870 . 2 . 2 26 26 ASP CB C 13 41.187 0.103 . 1 . . . . B 216 ASP CB . 34661 1 871 . 2 . 2 26 26 ASP N N 15 121.313 0.006 . 1 . . . . B 216 ASP N . 34661 1 872 . 2 . 2 27 27 ALA H H 1 8.366 0.003 . 1 . . . . B 217 ALA H . 34661 1 873 . 2 . 2 27 27 ALA HA H 1 4.357 0.000 . 1 . . . . B 217 ALA HA . 34661 1 874 . 2 . 2 27 27 ALA HB1 H 1 1.859 0.519 . 1 . . . . B 217 ALA HB1 . 34661 1 875 . 2 . 2 27 27 ALA HB2 H 1 1.859 0.519 . 1 . . . . B 217 ALA HB2 . 34661 1 876 . 2 . 2 27 27 ALA HB3 H 1 1.859 0.519 . 1 . . . . B 217 ALA HB3 . 34661 1 877 . 2 . 2 27 27 ALA CA C 13 52.711 0.000 . 1 . . . . B 217 ALA CA . 34661 1 878 . 2 . 2 27 27 ALA CB C 13 18.527 0.114 . 1 . . . . B 217 ALA CB . 34661 1 879 . 2 . 2 27 27 ALA N N 15 124.313 0.017 . 1 . . . . B 217 ALA N . 34661 1 880 . 2 . 2 28 28 ALA H H 1 8.018 0.000 . 1 . . . . B 218 ALA H . 34661 1 881 . 2 . 2 28 28 ALA N N 15 120.734 0.022 . 1 . . . . B 218 ALA N . 34661 1 882 . 2 . 2 29 29 LEU H H 1 8.166 0.000 . 1 . . . . B 219 LEU H . 34661 1 883 . 2 . 2 29 29 LEU N N 15 120.306 0.000 . 1 . . . . B 219 LEU N . 34661 1 884 . 2 . 2 30 30 ALA H H 1 7.625 0.000 . 1 . . . . B 220 ALA H . 34661 1 885 . 2 . 2 30 30 ALA N N 15 115.281 0.000 . 1 . . . . B 220 ALA N . 34661 1 886 . 2 . 2 31 31 LEU H H 1 7.766 0.000 . 1 . . . . B 221 LEU H . 34661 1 887 . 2 . 2 31 31 LEU N N 15 122.076 0.000 . 1 . . . . B 221 LEU N . 34661 1 888 . 2 . 2 32 32 LEU H H 1 8.469 0.000 . 1 . . . . B 222 LEU H . 34661 1 889 . 2 . 2 32 32 LEU N N 15 119.276 0.000 . 1 . . . . B 222 LEU N . 34661 1 890 . 2 . 2 33 33 LEU H H 1 8.446 0.000 . 1 . . . . B 223 LEU H . 34661 1 891 . 2 . 2 33 33 LEU N N 15 119.100 0.000 . 1 . . . . B 223 LEU N . 34661 1 892 . 2 . 2 34 34 LEU H H 1 8.070 0.000 . 1 . . . . B 224 LEU H . 34661 1 893 . 2 . 2 34 34 LEU N N 15 119.034 0.000 . 1 . . . . B 224 LEU N . 34661 1 894 . 2 . 2 35 35 ASP H H 1 8.020 0.000 . 1 . . . . B 225 ASP H . 34661 1 895 . 2 . 2 35 35 ASP N N 15 118.614 0.000 . 1 . . . . B 225 ASP N . 34661 1 896 . 2 . 2 36 36 ARG H H 1 8.587 0.000 . 1 . . . . B 226 ARG H . 34661 1 897 . 2 . 2 36 36 ARG N N 15 119.305 0.000 . 1 . . . . B 226 ARG N . 34661 1 898 . 2 . 2 38 38 ASN H H 1 8.699 0.000 . 1 . . . . B 228 ASN H . 34661 1 899 . 2 . 2 38 38 ASN HA H 1 3.960 0.004 . 1 . . . . B 228 ASN HA . 34661 1 900 . 2 . 2 38 38 ASN CA C 13 55.521 0.054 . 1 . . . . B 228 ASN CA . 34661 1 901 . 2 . 2 38 38 ASN N N 15 118.863 0.000 . 1 . . . . B 228 ASN N . 34661 1 902 . 2 . 2 39 39 GLN H H 1 8.101 0.000 . 1 . . . . B 229 GLN H . 34661 1 903 . 2 . 2 39 39 GLN N N 15 120.378 0.000 . 1 . . . . B 229 GLN N . 34661 1 904 . 2 . 2 40 40 LEU H H 1 7.853 0.000 . 1 . . . . B 230 LEU H . 34661 1 905 . 2 . 2 40 40 LEU HD21 H 1 0.909 0.013 . 1 . . . . B 230 LEU HD21 . 34661 1 906 . 2 . 2 40 40 LEU HD22 H 1 0.909 0.013 . 1 . . . . B 230 LEU HD22 . 34661 1 907 . 2 . 2 40 40 LEU HD23 H 1 0.909 0.013 . 1 . . . . B 230 LEU HD23 . 34661 1 908 . 2 . 2 40 40 LEU CA C 13 56.943 0.000 . 1 . . . . B 230 LEU CA . 34661 1 909 . 2 . 2 40 40 LEU CB C 13 42.169 0.000 . 1 . . . . B 230 LEU CB . 34661 1 910 . 2 . 2 40 40 LEU CG C 13 25.806 0.000 . 1 . . . . B 230 LEU CG . 34661 1 911 . 2 . 2 40 40 LEU CD2 C 13 23.004 0.086 . 1 . . . . B 230 LEU CD2 . 34661 1 912 . 2 . 2 40 40 LEU N N 15 120.009 0.000 . 1 . . . . B 230 LEU N . 34661 1 913 . 2 . 2 41 41 GLU H H 1 8.070 0.000 . 1 . . . . B 231 GLU H . 34661 1 914 . 2 . 2 41 41 GLU HA H 1 4.193 0.005 . 1 . . . . B 231 GLU HA . 34661 1 915 . 2 . 2 41 41 GLU HG3 H 1 2.424 0.000 . 1 . . . . B 231 GLU HG3 . 34661 1 916 . 2 . 2 41 41 GLU CA C 13 57.790 0.137 . 1 . . . . B 231 GLU CA . 34661 1 917 . 2 . 2 41 41 GLU CB C 13 29.551 0.000 . 1 . . . . B 231 GLU CB . 34661 1 918 . 2 . 2 41 41 GLU CG C 13 36.301 0.037 . 1 . . . . B 231 GLU CG . 34661 1 919 . 2 . 2 41 41 GLU N N 15 119.684 0.000 . 1 . . . . B 231 GLU N . 34661 1 920 . 2 . 2 42 42 SER H H 1 8.111 0.002 . 1 . . . . B 232 SER H . 34661 1 921 . 2 . 2 42 42 SER HA H 1 4.369 0.004 . 1 . . . . B 232 SER HA . 34661 1 922 . 2 . 2 42 42 SER HB3 H 1 3.992 0.004 . 1 . . . . B 232 SER HB3 . 34661 1 923 . 2 . 2 42 42 SER CA C 13 59.895 0.062 . 1 . . . . B 232 SER CA . 34661 1 924 . 2 . 2 42 42 SER CB C 13 63.473 0.066 . 1 . . . . B 232 SER CB . 34661 1 925 . 2 . 2 42 42 SER N N 15 115.399 0.005 . 1 . . . . B 232 SER N . 34661 1 926 . 2 . 2 43 43 LYS H H 1 7.952 0.000 . 1 . . . . B 233 LYS H . 34661 1 927 . 2 . 2 43 43 LYS HA H 1 4.351 0.004 . 1 . . . . B 233 LYS HA . 34661 1 928 . 2 . 2 43 43 LYS HB3 H 1 1.780 0.001 . 1 . . . . B 233 LYS HB3 . 34661 1 929 . 2 . 2 43 43 LYS HG3 H 1 1.465 0.002 . 1 . . . . B 233 LYS HG3 . 34661 1 930 . 2 . 2 43 43 LYS HD3 H 1 1.690 0.001 . 1 . . . . B 233 LYS HD3 . 34661 1 931 . 2 . 2 43 43 LYS HE3 H 1 3.005 0.001 . 1 . . . . B 233 LYS HE3 . 34661 1 932 . 2 . 2 43 43 LYS CA C 13 56.443 0.038 . 1 . . . . B 233 LYS CA . 34661 1 933 . 2 . 2 43 43 LYS CB C 13 33.030 0.062 . 1 . . . . B 233 LYS CB . 34661 1 934 . 2 . 2 43 43 LYS CG C 13 24.789 0.019 . 1 . . . . B 233 LYS CG . 34661 1 935 . 2 . 2 43 43 LYS CD C 13 29.124 0.037 . 1 . . . . B 233 LYS CD . 34661 1 936 . 2 . 2 43 43 LYS CE C 13 42.218 0.020 . 1 . . . . B 233 LYS CE . 34661 1 937 . 2 . 2 43 43 LYS N N 15 121.364 0.000 . 1 . . . . B 233 LYS N . 34661 1 938 . 2 . 2 44 44 MET H H 1 8.009 0.000 . 1 . . . . B 234 MET H . 34661 1 939 . 2 . 2 44 44 MET N N 15 119.214 0.000 . 1 . . . . B 234 MET N . 34661 1 940 . 2 . 2 45 45 SER H H 1 8.285 0.000 . 1 . . . . B 235 SER H . 34661 1 941 . 2 . 2 45 45 SER CA C 13 58.672 0.000 . 1 . . . . B 235 SER CA . 34661 1 942 . 2 . 2 45 45 SER CB C 13 63.512 0.000 . 1 . . . . B 235 SER CB . 34661 1 943 . 2 . 2 45 45 SER N N 15 116.293 0.000 . 1 . . . . B 235 SER N . 34661 1 944 . 2 . 2 46 46 GLY H H 1 8.478 0.000 . 1 . . . . B 236 GLY H . 34661 1 945 . 2 . 2 46 46 GLY CA C 13 45.932 0.000 . 1 . . . . B 236 GLY CA . 34661 1 946 . 2 . 2 46 46 GLY N N 15 110.956 0.022 . 1 . . . . B 236 GLY N . 34661 1 947 . 2 . 2 47 47 LYS H H 1 8.184 0.002 . 1 . . . . B 237 LYS H . 34661 1 948 . 2 . 2 47 47 LYS HB3 H 1 1.868 0.002 . 1 . . . . B 237 LYS HB3 . 34661 1 949 . 2 . 2 47 47 LYS HD2 H 1 1.477 0.007 . 1 . . . . B 237 LYS HD2 . 34661 1 950 . 2 . 2 47 47 LYS CA C 13 56.490 0.000 . 1 . . . . B 237 LYS CA . 34661 1 951 . 2 . 2 47 47 LYS CB C 13 33.009 0.162 . 1 . . . . B 237 LYS CB . 34661 1 952 . 2 . 2 47 47 LYS CG C 13 24.886 0.000 . 1 . . . . B 237 LYS CG . 34661 1 953 . 2 . 2 47 47 LYS CD C 13 29.117 0.063 . 1 . . . . B 237 LYS CD . 34661 1 954 . 2 . 2 47 47 LYS CE C 13 42.385 0.000 . 1 . . . . B 237 LYS CE . 34661 1 955 . 2 . 2 47 47 LYS N N 15 120.522 0.015 . 1 . . . . B 237 LYS N . 34661 1 956 . 2 . 2 48 48 GLY H H 1 8.504 0.003 . 1 . . . . B 238 GLY H . 34661 1 957 . 2 . 2 48 48 GLY CA C 13 46.173 0.000 . 1 . . . . B 238 GLY CA . 34661 1 958 . 2 . 2 48 48 GLY N N 15 109.956 0.081 . 1 . . . . B 238 GLY N . 34661 1 959 . 2 . 2 49 49 GLN H H 1 8.256 0.003 . 1 . . . . B 239 GLN H . 34661 1 960 . 2 . 2 49 49 GLN CA C 13 55.985 0.000 . 1 . . . . B 239 GLN CA . 34661 1 961 . 2 . 2 49 49 GLN CB C 13 29.218 0.000 . 1 . . . . B 239 GLN CB . 34661 1 962 . 2 . 2 49 49 GLN CG C 13 33.840 0.000 . 1 . . . . B 239 GLN CG . 34661 1 963 . 2 . 2 49 49 GLN N N 15 119.763 0.009 . 1 . . . . B 239 GLN N . 34661 1 964 . 2 . 2 50 50 GLN H H 1 8.485 0.001 . 1 . . . . B 240 GLN H . 34661 1 965 . 2 . 2 50 50 GLN CA C 13 56.177 0.000 . 1 . . . . B 240 GLN CA . 34661 1 966 . 2 . 2 50 50 GLN CG C 13 33.875 0.000 . 1 . . . . B 240 GLN CG . 34661 1 967 . 2 . 2 50 50 GLN N N 15 121.525 0.020 . 1 . . . . B 240 GLN N . 34661 1 968 . 2 . 2 51 51 GLN H H 1 8.431 0.001 . 1 . . . . B 241 GLN H . 34661 1 969 . 2 . 2 51 51 GLN N N 15 121.295 0.013 . 1 . . . . B 241 GLN N . 34661 1 970 . 2 . 2 52 52 GLN H H 1 8.494 0.000 . 1 . . . . B 242 GLN H . 34661 1 971 . 2 . 2 52 52 GLN HG3 H 1 2.434 0.000 . 1 . . . . B 242 GLN HG3 . 34661 1 972 . 2 . 2 52 52 GLN CA C 13 55.758 0.000 . 1 . . . . B 242 GLN CA . 34661 1 973 . 2 . 2 52 52 GLN CG C 13 33.782 0.101 . 1 . . . . B 242 GLN CG . 34661 1 974 . 2 . 2 52 52 GLN N N 15 121.688 0.000 . 1 . . . . B 242 GLN N . 34661 1 975 . 2 . 2 53 53 GLY H H 1 8.181 0.002 . 1 . . . . B 243 GLY H . 34661 1 976 . 2 . 2 53 53 GLY HA2 H 1 3.692 0.000 . 1 . . . . B 243 GLY HA2 . 34661 1 977 . 2 . 2 53 53 GLY HA3 H 1 3.692 0.000 . 1 . . . . B 243 GLY HA3 . 34661 1 978 . 2 . 2 53 53 GLY CA C 13 44.676 0.038 . 1 . . . . B 243 GLY CA . 34661 1 979 . 2 . 2 53 53 GLY N N 15 109.530 0.021 . 1 . . . . B 243 GLY N . 34661 1 980 . 2 . 2 54 54 GLN H H 1 7.612 0.000 . 1 . . . . B 244 GLN H . 34661 1 981 . 2 . 2 54 54 GLN HA H 1 4.412 0.000 . 1 . . . . B 244 GLN HA . 34661 1 982 . 2 . 2 54 54 GLN HB3 H 1 2.104 0.000 . 1 . . . . B 244 GLN HB3 . 34661 1 983 . 2 . 2 54 54 GLN HG3 H 1 2.343 0.001 . 1 . . . . B 244 GLN HG3 . 34661 1 984 . 2 . 2 54 54 GLN CA C 13 55.463 0.013 . 1 . . . . B 244 GLN CA . 34661 1 985 . 2 . 2 54 54 GLN CB C 13 29.439 0.063 . 1 . . . . B 244 GLN CB . 34661 1 986 . 2 . 2 54 54 GLN CG C 13 33.829 0.074 . 1 . . . . B 244 GLN CG . 34661 1 987 . 2 . 2 54 54 GLN N N 15 121.572 0.000 . 1 . . . . B 244 GLN N . 34661 1 988 . 2 . 2 55 55 THR H H 1 8.936 0.000 . 1 . . . . B 245 THR H . 34661 1 989 . 2 . 2 55 55 THR HB H 1 4.048 0.002 . 1 . . . . B 245 THR HB . 34661 1 990 . 2 . 2 55 55 THR HG21 H 1 1.089 0.001 . 1 . . . . B 245 THR HG21 . 34661 1 991 . 2 . 2 55 55 THR HG22 H 1 1.089 0.001 . 1 . . . . B 245 THR HG22 . 34661 1 992 . 2 . 2 55 55 THR HG23 H 1 1.089 0.001 . 1 . . . . B 245 THR HG23 . 34661 1 993 . 2 . 2 55 55 THR CA C 13 63.322 0.000 . 1 . . . . B 245 THR CA . 34661 1 994 . 2 . 2 55 55 THR CB C 13 68.994 0.030 . 1 . . . . B 245 THR CB . 34661 1 995 . 2 . 2 55 55 THR CG2 C 13 21.917 0.095 . 1 . . . . B 245 THR CG2 . 34661 1 996 . 2 . 2 55 55 THR N N 15 124.512 0.000 . 1 . . . . B 245 THR N . 34661 1 997 . 2 . 2 56 56 VAL HA H 1 4.932 0.000 . 1 . . . . B 246 VAL HA . 34661 1 998 . 2 . 2 56 56 VAL CA C 13 63.460 0.021 . 1 . . . . B 246 VAL CA . 34661 1 999 . 2 . 2 57 57 THR H H 1 8.547 0.000 . 1 . . . . B 247 THR H . 34661 1 1000 . 2 . 2 57 57 THR HA H 1 4.048 0.000 . 1 . . . . B 247 THR HA . 34661 1 1001 . 2 . 2 57 57 THR HG21 H 1 1.401 0.000 . 1 . . . . B 247 THR HG21 . 34661 1 1002 . 2 . 2 57 57 THR HG22 H 1 1.401 0.000 . 1 . . . . B 247 THR HG22 . 34661 1 1003 . 2 . 2 57 57 THR HG23 H 1 1.401 0.000 . 1 . . . . B 247 THR HG23 . 34661 1 1004 . 2 . 2 57 57 THR CA C 13 59.150 0.038 . 1 . . . . B 247 THR CA . 34661 1 1005 . 2 . 2 57 57 THR CG2 C 13 21.911 0.084 . 1 . . . . B 247 THR CG2 . 34661 1 1006 . 2 . 2 57 57 THR N N 15 117.166 0.000 . 1 . . . . B 247 THR N . 34661 1 1007 . 2 . 2 58 58 LYS H H 1 9.571 0.000 . 1 . . . . B 248 LYS H . 34661 1 1008 . 2 . 2 58 58 LYS N N 15 123.186 0.000 . 1 . . . . B 248 LYS N . 34661 1 1009 . 2 . 2 59 59 LYS H H 1 8.774 0.000 . 1 . . . . B 249 LYS H . 34661 1 1010 . 2 . 2 59 59 LYS HA H 1 4.123 0.000 . 1 . . . . B 249 LYS HA . 34661 1 1011 . 2 . 2 59 59 LYS HE3 H 1 3.004 0.001 . 1 . . . . B 249 LYS HE3 . 34661 1 1012 . 2 . 2 59 59 LYS CA C 13 59.093 0.038 . 1 . . . . B 249 LYS CA . 34661 1 1013 . 2 . 2 59 59 LYS CE C 13 42.180 0.027 . 1 . . . . B 249 LYS CE . 34661 1 1014 . 2 . 2 59 59 LYS N N 15 119.517 0.000 . 1 . . . . B 249 LYS N . 34661 1 1015 . 2 . 2 60 60 SER H H 1 8.255 0.000 . 1 . . . . B 250 SER H . 34661 1 1016 . 2 . 2 60 60 SER N N 15 117.910 0.000 . 1 . . . . B 250 SER N . 34661 1 1017 . 2 . 2 61 61 ALA H H 1 8.686 0.000 . 1 . . . . B 251 ALA H . 34661 1 1018 . 2 . 2 61 61 ALA N N 15 128.682 0.000 . 1 . . . . B 251 ALA N . 34661 1 1019 . 2 . 2 62 62 ALA H H 1 7.964 0.000 . 1 . . . . B 252 ALA H . 34661 1 1020 . 2 . 2 62 62 ALA N N 15 121.793 0.000 . 1 . . . . B 252 ALA N . 34661 1 1021 . 2 . 2 63 63 GLU H H 1 7.955 0.000 . 1 . . . . B 253 GLU H . 34661 1 1022 . 2 . 2 63 63 GLU HA H 1 4.127 0.000 . 1 . . . . B 253 GLU HA . 34661 1 1023 . 2 . 2 63 63 GLU CA C 13 59.059 0.128 . 1 . . . . B 253 GLU CA . 34661 1 1024 . 2 . 2 63 63 GLU N N 15 118.629 0.000 . 1 . . . . B 253 GLU N . 34661 1 1025 . 2 . 2 64 64 ALA H H 1 7.904 0.000 . 1 . . . . B 254 ALA H . 34661 1 1026 . 2 . 2 64 64 ALA N N 15 121.836 0.000 . 1 . . . . B 254 ALA N . 34661 1 1027 . 2 . 2 65 65 SER H H 1 7.911 0.000 . 1 . . . . B 255 SER H . 34661 1 1028 . 2 . 2 65 65 SER N N 15 112.818 0.000 . 1 . . . . B 255 SER N . 34661 1 1029 . 2 . 2 66 66 LYS H H 1 7.368 0.000 . 1 . . . . B 256 LYS H . 34661 1 1030 . 2 . 2 66 66 LYS N N 15 120.400 0.000 . 1 . . . . B 256 LYS N . 34661 1 1031 . 2 . 2 67 67 LYS H H 1 7.408 0.000 . 1 . . . . B 257 LYS H . 34661 1 1032 . 2 . 2 67 67 LYS HB3 H 1 1.828 0.000 . 1 . . . . B 257 LYS HB3 . 34661 1 1033 . 2 . 2 67 67 LYS CA C 13 54.661 0.000 . 1 . . . . B 257 LYS CA . 34661 1 1034 . 2 . 2 67 67 LYS CB C 13 32.352 0.099 . 1 . . . . B 257 LYS CB . 34661 1 1035 . 2 . 2 67 67 LYS N N 15 121.712 0.000 . 1 . . . . B 257 LYS N . 34661 1 1036 . 2 . 2 69 69 ARG H H 1 8.401 0.000 . 1 . . . . B 259 ARG H . 34661 1 1037 . 2 . 2 69 69 ARG HA H 1 4.284 0.026 . 1 . . . . B 259 ARG HA . 34661 1 1038 . 2 . 2 69 69 ARG HG2 H 1 1.428 0.009 . 1 . . . . B 259 ARG HG2 . 34661 1 1039 . 2 . 2 69 69 ARG CA C 13 53.003 0.232 . 1 . . . . B 259 ARG CA . 34661 1 1040 . 2 . 2 69 69 ARG N N 15 122.062 0.000 . 1 . . . . B 259 ARG N . 34661 1 1041 . 2 . 2 70 70 GLN H H 1 8.401 0.003 . 1 . . . . B 260 GLN H . 34661 1 1042 . 2 . 2 70 70 GLN HA H 1 4.413 0.000 . 1 . . . . B 260 GLN HA . 34661 1 1043 . 2 . 2 70 70 GLN HG3 H 1 2.343 0.000 . 1 . . . . B 260 GLN HG3 . 34661 1 1044 . 2 . 2 70 70 GLN CA C 13 55.553 0.125 . 1 . . . . B 260 GLN CA . 34661 1 1045 . 2 . 2 70 70 GLN CG C 13 33.806 0.035 . 1 . . . . B 260 GLN CG . 34661 1 1046 . 2 . 2 70 70 GLN N N 15 120.260 0.111 . 1 . . . . B 260 GLN N . 34661 1 1047 . 2 . 2 71 71 LYS H H 1 8.442 0.000 . 1 . . . . B 261 LYS H . 34661 1 1048 . 2 . 2 71 71 LYS HG2 H 1 1.351 0.055 . 1 . . . . B 261 LYS HG2 . 34661 1 1049 . 2 . 2 71 71 LYS HD2 H 1 1.602 0.000 . 1 . . . . B 261 LYS HD2 . 34661 1 1050 . 2 . 2 71 71 LYS CA C 13 56.389 0.000 . 1 . . . . B 261 LYS CA . 34661 1 1051 . 2 . 2 71 71 LYS CB C 13 33.209 0.000 . 1 . . . . B 261 LYS CB . 34661 1 1052 . 2 . 2 71 71 LYS CG C 13 24.821 0.063 . 1 . . . . B 261 LYS CG . 34661 1 1053 . 2 . 2 71 71 LYS CD C 13 29.438 0.021 . 1 . . . . B 261 LYS CD . 34661 1 1054 . 2 . 2 71 71 LYS CE C 13 42.237 0.034 . 1 . . . . B 261 LYS CE . 34661 1 1055 . 2 . 2 71 71 LYS N N 15 124.045 0.117 . 1 . . . . B 261 LYS N . 34661 1 1056 . 2 . 2 72 72 ARG H H 1 8.763 0.003 . 1 . . . . B 262 ARG H . 34661 1 1057 . 2 . 2 72 72 ARG CA C 13 56.552 0.000 . 1 . . . . B 262 ARG CA . 34661 1 1058 . 2 . 2 72 72 ARG CB C 13 30.940 0.000 . 1 . . . . B 262 ARG CB . 34661 1 1059 . 2 . 2 72 72 ARG CG C 13 27.396 0.000 . 1 . . . . B 262 ARG CG . 34661 1 1060 . 2 . 2 72 72 ARG CD C 13 43.263 0.000 . 1 . . . . B 262 ARG CD . 34661 1 1061 . 2 . 2 72 72 ARG N N 15 124.263 0.031 . 1 . . . . B 262 ARG N . 34661 1 1062 . 2 . 2 73 73 THR H H 1 7.855 0.001 . 1 . . . . B 263 THR H . 34661 1 1063 . 2 . 2 73 73 THR HA H 1 4.250 0.000 . 1 . . . . B 263 THR HA . 34661 1 1064 . 2 . 2 73 73 THR HB H 1 4.158 0.001 . 1 . . . . B 263 THR HB . 34661 1 1065 . 2 . 2 73 73 THR HG21 H 1 1.162 0.001 . 1 . . . . B 263 THR HG21 . 34661 1 1066 . 2 . 2 73 73 THR HG22 H 1 1.162 0.001 . 1 . . . . B 263 THR HG22 . 34661 1 1067 . 2 . 2 73 73 THR HG23 H 1 1.162 0.001 . 1 . . . . B 263 THR HG23 . 34661 1 1068 . 2 . 2 73 73 THR CA C 13 63.216 0.036 . 1 . . . . B 263 THR CA . 34661 1 1069 . 2 . 2 73 73 THR CB C 13 70.647 0.064 . 1 . . . . B 263 THR CB . 34661 1 1070 . 2 . 2 73 73 THR CG2 C 13 22.045 0.085 . 1 . . . . B 263 THR CG2 . 34661 1 1071 . 2 . 2 73 73 THR N N 15 120.569 0.010 . 1 . . . . B 263 THR N . 34661 1 stop_ save_