data_30740 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30740 _Entry.Title ; Solution NMR Structure of the G4L/Q5K/G6S (NOS) Unmyristoylated Feline Immunodeficiency Virus Matrix Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-24 _Entry.Accession_date 2020-03-24 _Entry.Last_release_date 2020-04-07 _Entry.Original_release_date 2020-04-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30740 stop_ 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 J. Brown J. B. . . 30740 2 H. Summers H. R. . . 30740 3 L. Brown L. A. . . 30740 4 J. Marchant J. . . . 30740 5 P. Canova P. N. . . 30740 6 C. O'Hern C. T. . . 30740 7 S. Abbott S. T. . . 30740 8 C. Nyaunu C. . . . 30740 9 S. Maxwell S. . . . 30740 10 T. Johnson T. . . . 30740 11 M. Moser M. B. . . 30740 12 S. Ablan S. A. . . 30740 13 H. Carter H. . . . 30740 14 E. Freed E. O. . . 30740 15 M. Summers M. F. . . 30740 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FIV . 30740 'VIRAL PROTEIN' . 30740 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30740 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 442 30740 '15N chemical shifts' 126 30740 '1H chemical shifts' 342 30740 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-07-20 . original BMRB . 30740 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6WA5 . 30740 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30740 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution NMR Structure of the G4L/Q5K/G6S (NOS) Unmyristoylated Feline Immunodeficiency Virus Matrix Protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 J. Brown J. B. . . 30740 1 2 H. Summers H. R. . . 30740 1 3 L. Brown L. A. . . 30740 1 4 J. Marchant J. . . . 30740 1 5 P. Canova P. N. . . 30740 1 6 C. O'Hern C. T. . . 30740 1 7 S. Abbott S. T. . . 30740 1 8 C. Nyaunu C. . . . 30740 1 9 S. Maxwell S. . . . 30740 1 10 T. Johnson T. . . . 30740 1 11 M. Moser M. B. . . 30740 1 12 S. Ablan S. A. . . 30740 1 13 H. Carter H. . . . 30740 1 14 E. Freed E. O. . . 30740 1 15 M. Summers M. F. . . 30740 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30740 _Assembly.ID 1 _Assembly.Name 'Matrix protein' _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 entity_1 1 $entity_1 A A yes . . . . . . 30740 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30740 _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 ; GNLKSRDWKMAIKRCSNVAV GVGGKSKKFGEGNFRWAIRM ANVSTGREPGDIPETLDQLR LVICDLQERREKFGSSKEID MAIVTLKVFAVAGLLNMTVS TAAAAENMYSQMGLDTRPHH HHHHHH ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'G4L, Q5K, G6S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14075.185 _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 MA common 30740 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 2 GLY . 30740 1 2 3 ASN . 30740 1 3 4 LEU . 30740 1 4 5 LYS . 30740 1 5 6 SER . 30740 1 6 7 ARG . 30740 1 7 8 ASP . 30740 1 8 9 TRP . 30740 1 9 10 LYS . 30740 1 10 11 MET . 30740 1 11 12 ALA . 30740 1 12 13 ILE . 30740 1 13 14 LYS . 30740 1 14 15 ARG . 30740 1 15 16 CYS . 30740 1 16 17 SER . 30740 1 17 18 ASN . 30740 1 18 19 VAL . 30740 1 19 20 ALA . 30740 1 20 21 VAL . 30740 1 21 22 GLY . 30740 1 22 23 VAL . 30740 1 23 24 GLY . 30740 1 24 25 GLY . 30740 1 25 26 LYS . 30740 1 26 27 SER . 30740 1 27 28 LYS . 30740 1 28 29 LYS . 30740 1 29 30 PHE . 30740 1 30 31 GLY . 30740 1 31 32 GLU . 30740 1 32 33 GLY . 30740 1 33 34 ASN . 30740 1 34 35 PHE . 30740 1 35 36 ARG . 30740 1 36 37 TRP . 30740 1 37 38 ALA . 30740 1 38 39 ILE . 30740 1 39 40 ARG . 30740 1 40 41 MET . 30740 1 41 42 ALA . 30740 1 42 43 ASN . 30740 1 43 44 VAL . 30740 1 44 45 SER . 30740 1 45 46 THR . 30740 1 46 47 GLY . 30740 1 47 48 ARG . 30740 1 48 49 GLU . 30740 1 49 50 PRO . 30740 1 50 51 GLY . 30740 1 51 52 ASP . 30740 1 52 53 ILE . 30740 1 53 54 PRO . 30740 1 54 55 GLU . 30740 1 55 56 THR . 30740 1 56 57 LEU . 30740 1 57 58 ASP . 30740 1 58 59 GLN . 30740 1 59 60 LEU . 30740 1 60 61 ARG . 30740 1 61 62 LEU . 30740 1 62 63 VAL . 30740 1 63 64 ILE . 30740 1 64 65 CYS . 30740 1 65 66 ASP . 30740 1 66 67 LEU . 30740 1 67 68 GLN . 30740 1 68 69 GLU . 30740 1 69 70 ARG . 30740 1 70 71 ARG . 30740 1 71 72 GLU . 30740 1 72 73 LYS . 30740 1 73 74 PHE . 30740 1 74 75 GLY . 30740 1 75 76 SER . 30740 1 76 77 SER . 30740 1 77 78 LYS . 30740 1 78 79 GLU . 30740 1 79 80 ILE . 30740 1 80 81 ASP . 30740 1 81 82 MET . 30740 1 82 83 ALA . 30740 1 83 84 ILE . 30740 1 84 85 VAL . 30740 1 85 86 THR . 30740 1 86 87 LEU . 30740 1 87 88 LYS . 30740 1 88 89 VAL . 30740 1 89 90 PHE . 30740 1 90 91 ALA . 30740 1 91 92 VAL . 30740 1 92 93 ALA . 30740 1 93 94 GLY . 30740 1 94 95 LEU . 30740 1 95 96 LEU . 30740 1 96 97 ASN . 30740 1 97 98 MET . 30740 1 98 99 THR . 30740 1 99 100 VAL . 30740 1 100 101 SER . 30740 1 101 102 THR . 30740 1 102 103 ALA . 30740 1 103 104 ALA . 30740 1 104 105 ALA . 30740 1 105 106 ALA . 30740 1 106 107 GLU . 30740 1 107 108 ASN . 30740 1 108 109 MET . 30740 1 109 110 TYR . 30740 1 110 111 SER . 30740 1 111 112 GLN . 30740 1 112 113 MET . 30740 1 113 114 GLY . 30740 1 114 115 LEU . 30740 1 115 116 ASP . 30740 1 116 117 THR . 30740 1 117 118 ARG . 30740 1 118 119 PRO . 30740 1 119 120 HIS . 30740 1 120 121 HIS . 30740 1 121 122 HIS . 30740 1 122 123 HIS . 30740 1 123 124 HIS . 30740 1 124 125 HIS . 30740 1 125 126 HIS . 30740 1 126 127 HIS . 30740 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30740 1 . ASN 2 2 30740 1 . LEU 3 3 30740 1 . LYS 4 4 30740 1 . SER 5 5 30740 1 . ARG 6 6 30740 1 . ASP 7 7 30740 1 . TRP 8 8 30740 1 . LYS 9 9 30740 1 . MET 10 10 30740 1 . ALA 11 11 30740 1 . ILE 12 12 30740 1 . LYS 13 13 30740 1 . ARG 14 14 30740 1 . CYS 15 15 30740 1 . SER 16 16 30740 1 . ASN 17 17 30740 1 . VAL 18 18 30740 1 . ALA 19 19 30740 1 . VAL 20 20 30740 1 . GLY 21 21 30740 1 . VAL 22 22 30740 1 . GLY 23 23 30740 1 . GLY 24 24 30740 1 . LYS 25 25 30740 1 . SER 26 26 30740 1 . LYS 27 27 30740 1 . LYS 28 28 30740 1 . PHE 29 29 30740 1 . GLY 30 30 30740 1 . GLU 31 31 30740 1 . GLY 32 32 30740 1 . ASN 33 33 30740 1 . PHE 34 34 30740 1 . ARG 35 35 30740 1 . TRP 36 36 30740 1 . ALA 37 37 30740 1 . ILE 38 38 30740 1 . ARG 39 39 30740 1 . MET 40 40 30740 1 . ALA 41 41 30740 1 . ASN 42 42 30740 1 . VAL 43 43 30740 1 . SER 44 44 30740 1 . THR 45 45 30740 1 . GLY 46 46 30740 1 . ARG 47 47 30740 1 . GLU 48 48 30740 1 . PRO 49 49 30740 1 . GLY 50 50 30740 1 . ASP 51 51 30740 1 . ILE 52 52 30740 1 . PRO 53 53 30740 1 . GLU 54 54 30740 1 . THR 55 55 30740 1 . LEU 56 56 30740 1 . ASP 57 57 30740 1 . GLN 58 58 30740 1 . LEU 59 59 30740 1 . ARG 60 60 30740 1 . LEU 61 61 30740 1 . VAL 62 62 30740 1 . ILE 63 63 30740 1 . CYS 64 64 30740 1 . ASP 65 65 30740 1 . LEU 66 66 30740 1 . GLN 67 67 30740 1 . GLU 68 68 30740 1 . ARG 69 69 30740 1 . ARG 70 70 30740 1 . GLU 71 71 30740 1 . LYS 72 72 30740 1 . PHE 73 73 30740 1 . GLY 74 74 30740 1 . SER 75 75 30740 1 . SER 76 76 30740 1 . LYS 77 77 30740 1 . GLU 78 78 30740 1 . ILE 79 79 30740 1 . ASP 80 80 30740 1 . MET 81 81 30740 1 . ALA 82 82 30740 1 . ILE 83 83 30740 1 . VAL 84 84 30740 1 . THR 85 85 30740 1 . LEU 86 86 30740 1 . LYS 87 87 30740 1 . VAL 88 88 30740 1 . PHE 89 89 30740 1 . ALA 90 90 30740 1 . VAL 91 91 30740 1 . ALA 92 92 30740 1 . GLY 93 93 30740 1 . LEU 94 94 30740 1 . LEU 95 95 30740 1 . ASN 96 96 30740 1 . MET 97 97 30740 1 . THR 98 98 30740 1 . VAL 99 99 30740 1 . SER 100 100 30740 1 . THR 101 101 30740 1 . ALA 102 102 30740 1 . ALA 103 103 30740 1 . ALA 104 104 30740 1 . ALA 105 105 30740 1 . GLU 106 106 30740 1 . ASN 107 107 30740 1 . MET 108 108 30740 1 . TYR 109 109 30740 1 . SER 110 110 30740 1 . GLN 111 111 30740 1 . MET 112 112 30740 1 . GLY 113 113 30740 1 . LEU 114 114 30740 1 . ASP 115 115 30740 1 . THR 116 116 30740 1 . ARG 117 117 30740 1 . PRO 118 118 30740 1 . HIS 119 119 30740 1 . HIS 120 120 30740 1 . HIS 121 121 30740 1 . HIS 122 122 30740 1 . HIS 123 123 30740 1 . HIS 124 124 30740 1 . HIS 125 125 30740 1 . HIS 126 126 30740 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30740 _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 . 11673 organism . 'Feline immunodeficiency virus' FIV . . Viruses . Lentivirus FIV . . . . . . . . . . . GAG . 30740 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 30740 _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 . . . . . . . . . . 30740 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30740 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L ammonium chloride, 300 uM [U-13C] Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30740 1 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30740 1 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30740 1 4 glucose '[U-99% 13C]' . . . . . . 4 . . g/L . . . . 30740 1 5 'ammonium chloride' 'natural abundance' . . . . . . 1 . . g/L . . . . 30740 1 6 'Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein' [U-13C] . . 1 $entity_1 . . 300 . . uM . . . . 30740 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30740 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 300 uM Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30740 2 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30740 2 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30740 2 4 'Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein' 'natural abundance' . . 1 $entity_1 . . 300 . . uM . . . . 30740 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30740 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-13C; U-15N] Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein, 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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30740 3 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30740 3 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30740 3 4 glucose '[U-99% 13C]' . . . . . . 4 . . g/L . . . . 30740 3 5 'ammonium chloride' '[U-99% 15N]' . . . . . . 1 . . g/L . . . . 30740 3 6 'Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30740 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30740 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 4 g/L glucose, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-15N] Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein, 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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30740 4 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30740 4 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30740 4 4 glucose 'natural abundance' . . . . . . 4 . . g/L . . . . 30740 4 5 'ammonium chloride' '[U-99% 15N]' . . . . . . 1 . . g/L . . . . 30740 4 6 'Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein' [U-15N] . . 1 $entity_1 . . 300 . . uM . . . . 30740 4 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 30740 _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' 5 . mM 30740 1 pH 8 . pH 30740 1 pressure 1 . atm 30740 1 temperature 298 . K 30740 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 30740 _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' 5 . mM 30740 2 pH 8 . pD 30740 2 pressure 1 . atm 30740 2 temperature 298 . K 30740 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 30740 _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' 5 . mM 30740 3 pH 5 . pH 30740 3 pressure 1 . atm 30740 3 temperature 298 . K 30740 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 30740 _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' 5 . mM 30740 4 pH 5 . pD 30740 4 pressure 1 . atm 30740 4 temperature 298 . K 30740 4 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30740 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30740 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30740 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30740 _Software.ID 2 _Software.Type . _Software.Name NMRFx _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30740 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30740 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30740 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30740 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30740 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30740 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30740 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30740 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30740 _Software.ID 5 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30740 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30740 5 . 'data analysis' 30740 5 . 'peak picking' 30740 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30740 _Software.ID 6 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30740 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30740 6 . 'structure calculation' 30740 6 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 30740 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30740 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 30740 _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 DMX . 600 . . . 30740 1 2 NMR_spectrometer_2 Bruker DMX . 500 . . . 30740 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 30740 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30740 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 7 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 8 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 9 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 10 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 11 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 12 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30740 1 15 '4D HSQC-NOESY-HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 16 '4D HMQC-NOESY-HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 17 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 1 18 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30740 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 30740 _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 TMS 'methyl carbons' . . . . ppm 0 external indirect 1.0 . . . . . 30740 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 30740 1 N 15 urea nitrogen . . . . ppm 0 external indirect 1.0 . . . . . 30740 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 30740 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 30740 1 2 '2D 1H-1H NOESY' . . . 30740 1 3 '2D 1H-15N HSQC' . . . 30740 1 4 '2D 1H-15N HSQC' . . . 30740 1 5 '3D CBCA(CO)NH' . . . 30740 1 6 '3D CBCA(CO)NH' . . . 30740 1 7 '3D HNCACB' . . . 30740 1 8 '3D HNCACB' . . . 30740 1 9 '3D HNCO' . . . 30740 1 10 '3D HNCO' . . . 30740 1 11 '3D HN(CA)CO' . . . 30740 1 12 '3D HN(CA)CO' . . . 30740 1 13 '3D 1H-15N NOESY' . . . 30740 1 14 '3D 1H-15N NOESY' . . . 30740 1 15 '4D HSQC-NOESY-HMQC' . . . 30740 1 16 '4D HMQC-NOESY-HMQC' . . . 30740 1 17 '2D 1H-13C HMQC' . . . 30740 1 18 '2D 1H-13C HMQC' . . . 30740 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 GLY H H 1 8.6778 0.0000 . 1 . . . . A 2 GLY H1 . 30740 1 2 . 1 . 1 1 1 GLY N N 15 110.3802 0.0000 . 1 . . . . A 2 GLY N . 30740 1 3 . 1 . 1 2 2 ASN H H 1 8.8106 0.0000 . 1 . . . . A 3 ASN H . 30740 1 4 . 1 . 1 2 2 ASN HD21 H 1 6.9474 0.0000 . 2 . . . . A 3 ASN HD21 . 30740 1 5 . 1 . 1 2 2 ASN HD22 H 1 7.6962 0.0000 . 2 . . . . A 3 ASN HD22 . 30740 1 6 . 1 . 1 2 2 ASN C C 13 173.0510 0.0000 . 1 . . . . A 3 ASN C . 30740 1 7 . 1 . 1 2 2 ASN CA C 13 53.3839 0.0000 . 1 . . . . A 3 ASN CA . 30740 1 8 . 1 . 1 2 2 ASN CB C 13 40.3620 0.0000 . 1 . . . . A 3 ASN CB . 30740 1 9 . 1 . 1 2 2 ASN N N 15 118.1673 0.0000 . 1 . . . . A 3 ASN N . 30740 1 10 . 1 . 1 2 2 ASN ND2 N 15 112.9616 0.0000 . 1 . . . . A 3 ASN ND2 . 30740 1 11 . 1 . 1 3 3 LEU H H 1 8.2199 0.0000 . 1 . . . . A 4 LEU H . 30740 1 12 . 1 . 1 3 3 LEU HA H 1 4.1303 0.0000 . 1 . . . . A 4 LEU HA . 30740 1 13 . 1 . 1 3 3 LEU HB2 H 1 1.7722 0.0000 . 2 . . . . A 4 LEU HB2 . 30740 1 14 . 1 . 1 3 3 LEU HG H 1 1.6448 0.0000 . 1 . . . . A 4 LEU HG . 30740 1 15 . 1 . 1 3 3 LEU C C 13 175.0054 0.0000 . 1 . . . . A 4 LEU C . 30740 1 16 . 1 . 1 3 3 LEU CA C 13 56.5312 0.0000 . 1 . . . . A 4 LEU CA . 30740 1 17 . 1 . 1 3 3 LEU CB C 13 42.8017 0.0000 . 1 . . . . A 4 LEU CB . 30740 1 18 . 1 . 1 3 3 LEU CG C 13 27.6345 0.0000 . 1 . . . . A 4 LEU CG . 30740 1 19 . 1 . 1 3 3 LEU N N 15 122.1230 0.0000 . 1 . . . . A 4 LEU N . 30740 1 20 . 1 . 1 4 4 LYS H H 1 8.6212 0.0000 . 1 . . . . A 5 LYS H . 30740 1 21 . 1 . 1 4 4 LYS HA H 1 4.1212 0.0000 . 1 . . . . A 5 LYS HA . 30740 1 22 . 1 . 1 4 4 LYS C C 13 175.4204 0.0000 . 1 . . . . A 5 LYS C . 30740 1 23 . 1 . 1 4 4 LYS CA C 13 57.0428 0.0000 . 1 . . . . A 5 LYS CA . 30740 1 24 . 1 . 1 4 4 LYS CB C 13 33.1513 0.0000 . 1 . . . . A 5 LYS CB . 30740 1 25 . 1 . 1 4 4 LYS N N 15 121.8326 0.0000 . 1 . . . . A 5 LYS N . 30740 1 26 . 1 . 1 5 5 SER H H 1 8.3509 0.0000 . 1 . . . . A 6 SER H . 30740 1 27 . 1 . 1 5 5 SER HA H 1 4.3493 0.0000 . 1 . . . . A 6 SER HA . 30740 1 28 . 1 . 1 5 5 SER HB2 H 1 4.0719 0.0000 . 2 . . . . A 6 SER HB2 . 30740 1 29 . 1 . 1 5 5 SER C C 13 173.8043 0.0000 . 1 . . . . A 6 SER C . 30740 1 30 . 1 . 1 5 5 SER CA C 13 60.5587 0.0000 . 1 . . . . A 6 SER CA . 30740 1 31 . 1 . 1 5 5 SER CB C 13 64.3428 0.0000 . 1 . . . . A 6 SER CB . 30740 1 32 . 1 . 1 5 5 SER N N 15 116.9723 0.0000 . 1 . . . . A 6 SER N . 30740 1 33 . 1 . 1 6 6 ARG H H 1 8.7596 0.0000 . 1 . . . . A 7 ARG H . 30740 1 34 . 1 . 1 6 6 ARG HA H 1 4.1258 0.0000 . 1 . . . . A 7 ARG HA . 30740 1 35 . 1 . 1 6 6 ARG HB2 H 1 1.9305 0.0000 . 2 . . . . A 7 ARG HB2 . 30740 1 36 . 1 . 1 6 6 ARG C C 13 175.8457 0.0000 . 1 . . . . A 7 ARG C . 30740 1 37 . 1 . 1 6 6 ARG CA C 13 59.3599 0.0000 . 1 . . . . A 7 ARG CA . 30740 1 38 . 1 . 1 6 6 ARG CB C 13 30.6366 0.0000 . 1 . . . . A 7 ARG CB . 30740 1 39 . 1 . 1 6 6 ARG N N 15 122.0910 0.0000 . 1 . . . . A 7 ARG N . 30740 1 40 . 1 . 1 7 7 ASP H H 1 8.0071 0.0000 . 1 . . . . A 8 ASP H . 30740 1 41 . 1 . 1 7 7 ASP HA H 1 4.1560 0.0000 . 1 . . . . A 8 ASP HA . 30740 1 42 . 1 . 1 7 7 ASP C C 13 176.4173 0.0000 . 1 . . . . A 8 ASP C . 30740 1 43 . 1 . 1 7 7 ASP CA C 13 57.1742 0.0000 . 1 . . . . A 8 ASP CA . 30740 1 44 . 1 . 1 7 7 ASP CB C 13 41.2490 0.0000 . 1 . . . . A 8 ASP CB . 30740 1 45 . 1 . 1 7 7 ASP N N 15 119.0422 0.0000 . 1 . . . . A 8 ASP N . 30740 1 46 . 1 . 1 8 8 TRP H H 1 8.3120 0.0000 . 1 . . . . A 9 TRP H . 30740 1 47 . 1 . 1 8 8 TRP HA H 1 4.4529 0.0000 . 1 . . . . A 9 TRP HA . 30740 1 48 . 1 . 1 8 8 TRP HD1 H 1 7.2212 0.0000 . 1 . . . . A 9 TRP HD1 . 30740 1 49 . 1 . 1 8 8 TRP HE1 H 1 10.4449 0.0000 . 1 . . . . A 9 TRP HE1 . 30740 1 50 . 1 . 1 8 8 TRP HE3 H 1 7.6350 0.0000 . 1 . . . . A 9 TRP HE3 . 30740 1 51 . 1 . 1 8 8 TRP HZ2 H 1 7.2613 0.0000 . 1 . . . . A 9 TRP HZ2 . 30740 1 52 . 1 . 1 8 8 TRP HZ3 H 1 6.9988 0.0000 . 1 . . . . A 9 TRP HZ3 . 30740 1 53 . 1 . 1 8 8 TRP HH2 H 1 6.7161 0.0000 . 1 . . . . A 9 TRP HH2 . 30740 1 54 . 1 . 1 8 8 TRP C C 13 174.6990 0.0000 . 1 . . . . A 9 TRP C . 30740 1 55 . 1 . 1 8 8 TRP CA C 13 61.2612 0.0000 . 1 . . . . A 9 TRP CA . 30740 1 56 . 1 . 1 8 8 TRP CB C 13 29.8908 0.0000 . 1 . . . . A 9 TRP CB . 30740 1 57 . 1 . 1 8 8 TRP CD1 C 13 129.1751 0.0000 . 1 . . . . A 9 TRP CD1 . 30740 1 58 . 1 . 1 8 8 TRP CZ2 C 13 113.9422 0.0000 . 1 . . . . A 9 TRP CZ2 . 30740 1 59 . 1 . 1 8 8 TRP CH2 C 13 123.6934 0.0000 . 1 . . . . A 9 TRP CH2 . 30740 1 60 . 1 . 1 8 8 TRP N N 15 122.8495 0.0000 . 1 . . . . A 9 TRP N . 30740 1 61 . 1 . 1 8 8 TRP NE1 N 15 129.7833 0.0000 . 1 . . . . A 9 TRP NE1 . 30740 1 62 . 1 . 1 9 9 LYS H H 1 8.3089 0.0000 . 1 . . . . A 10 LYS H . 30740 1 63 . 1 . 1 9 9 LYS HA H 1 3.8190 0.0000 . 1 . . . . A 10 LYS HA . 30740 1 64 . 1 . 1 9 9 LYS HB2 H 1 2.0129 0.0000 . 2 . . . . A 10 LYS HB2 . 30740 1 65 . 1 . 1 9 9 LYS HB3 H 1 1.8831 0.0000 . 2 . . . . A 10 LYS HB3 . 30740 1 66 . 1 . 1 9 9 LYS HG2 H 1 1.5589 0.0000 . 2 . . . . A 10 LYS HG2 . 30740 1 67 . 1 . 1 9 9 LYS C C 13 178.1221 0.0000 . 1 . . . . A 10 LYS C . 30740 1 68 . 1 . 1 9 9 LYS CA C 13 60.6713 0.0000 . 1 . . . . A 10 LYS CA . 30740 1 69 . 1 . 1 9 9 LYS CB C 13 32.7857 0.0000 . 1 . . . . A 10 LYS CB . 30740 1 70 . 1 . 1 9 9 LYS CG C 13 26.2101 0.0000 . 1 . . . . A 10 LYS CG . 30740 1 71 . 1 . 1 9 9 LYS N N 15 116.7403 0.0000 . 1 . . . . A 10 LYS N . 30740 1 72 . 1 . 1 10 10 MET H H 1 8.1611 0.0000 . 1 . . . . A 11 MET H . 30740 1 73 . 1 . 1 10 10 MET HA H 1 4.2662 0.0000 . 1 . . . . A 11 MET HA . 30740 1 74 . 1 . 1 10 10 MET C C 13 176.0898 0.0000 . 1 . . . . A 11 MET C . 30740 1 75 . 1 . 1 10 10 MET CA C 13 58.5241 0.0000 . 1 . . . . A 11 MET CA . 30740 1 76 . 1 . 1 10 10 MET CB C 13 32.5991 0.0000 . 1 . . . . A 11 MET CB . 30740 1 77 . 1 . 1 10 10 MET CE C 13 17.8624 0.0000 . 1 . . . . A 11 MET CE . 30740 1 78 . 1 . 1 10 10 MET N N 15 117.7056 0.0000 . 1 . . . . A 11 MET N . 30740 1 79 . 1 . 1 11 11 ALA H H 1 7.9156 0.0000 . 1 . . . . A 12 ALA H . 30740 1 80 . 1 . 1 11 11 ALA HA H 1 3.8530 0.0000 . 1 . . . . A 12 ALA HA . 30740 1 81 . 1 . 1 11 11 ALA C C 13 177.6095 0.0000 . 1 . . . . A 12 ALA C . 30740 1 82 . 1 . 1 11 11 ALA CA C 13 55.9283 0.0000 . 1 . . . . A 12 ALA CA . 30740 1 83 . 1 . 1 11 11 ALA CB C 13 18.5094 0.0000 . 1 . . . . A 12 ALA CB . 30740 1 84 . 1 . 1 11 11 ALA N N 15 122.3886 0.0000 . 1 . . . . A 12 ALA N . 30740 1 85 . 1 . 1 12 12 ILE H H 1 8.2472 0.0000 . 1 . . . . A 13 ILE H . 30740 1 86 . 1 . 1 12 12 ILE HA H 1 3.2619 0.0000 . 1 . . . . A 13 ILE HA . 30740 1 87 . 1 . 1 12 12 ILE HB H 1 1.9570 0.0000 . 1 . . . . A 13 ILE HB . 30740 1 88 . 1 . 1 12 12 ILE HG12 H 1 0.7322 0.0000 . 2 . . . . A 13 ILE HG12 . 30740 1 89 . 1 . 1 12 12 ILE C C 13 177.1811 0.0000 . 1 . . . . A 13 ILE C . 30740 1 90 . 1 . 1 12 12 ILE CA C 13 63.5042 0.0000 . 1 . . . . A 13 ILE CA . 30740 1 91 . 1 . 1 12 12 ILE CB C 13 36.1887 0.0000 . 1 . . . . A 13 ILE CB . 30740 1 92 . 1 . 1 12 12 ILE CG1 C 13 27.3618 0.0000 . 1 . . . . A 13 ILE CG1 . 30740 1 93 . 1 . 1 12 12 ILE CG2 C 13 18.3459 0.0000 . 1 . . . . A 13 ILE CG2 . 30740 1 94 . 1 . 1 12 12 ILE CD1 C 13 11.1246 0.0000 . 1 . . . . A 13 ILE CD1 . 30740 1 95 . 1 . 1 12 12 ILE N N 15 117.3636 0.0000 . 1 . . . . A 13 ILE N . 30740 1 96 . 1 . 1 13 13 LYS H H 1 7.8711 0.0000 . 1 . . . . A 14 LYS H . 30740 1 97 . 1 . 1 13 13 LYS HA H 1 3.9815 0.0000 . 1 . . . . A 14 LYS HA . 30740 1 98 . 1 . 1 13 13 LYS C C 13 178.2808 0.0000 . 1 . . . . A 14 LYS C . 30740 1 99 . 1 . 1 13 13 LYS CA C 13 60.5041 0.0000 . 1 . . . . A 14 LYS CA . 30740 1 100 . 1 . 1 13 13 LYS CB C 13 32.4437 0.0000 . 1 . . . . A 14 LYS CB . 30740 1 101 . 1 . 1 13 13 LYS CG C 13 26.0401 0.0000 . 1 . . . . A 14 LYS CG . 30740 1 102 . 1 . 1 13 13 LYS CD C 13 29.4808 0.0000 . 1 . . . . A 14 LYS CD . 30740 1 103 . 1 . 1 13 13 LYS CE C 13 42.3082 0.0000 . 1 . . . . A 14 LYS CE . 30740 1 104 . 1 . 1 13 13 LYS N N 15 122.1055 0.0000 . 1 . . . . A 14 LYS N . 30740 1 105 . 1 . 1 14 14 ARG H H 1 7.8240 0.0000 . 1 . . . . A 15 ARG H . 30740 1 106 . 1 . 1 14 14 ARG HA H 1 4.1120 0.0000 . 1 . . . . A 15 ARG HA . 30740 1 107 . 1 . 1 14 14 ARG HE H 1 7.1139 0.0000 . 1 . . . . A 15 ARG HE . 30740 1 108 . 1 . 1 14 14 ARG C C 13 177.5756 0.0000 . 1 . . . . A 15 ARG C . 30740 1 109 . 1 . 1 14 14 ARG CA C 13 60.2371 0.0000 . 1 . . . . A 15 ARG CA . 30740 1 110 . 1 . 1 14 14 ARG CB C 13 32.0360 0.0000 . 1 . . . . A 15 ARG CB . 30740 1 111 . 1 . 1 14 14 ARG CG C 13 25.9896 0.0000 . 1 . . . . A 15 ARG CG . 30740 1 112 . 1 . 1 14 14 ARG CD C 13 44.2472 0.0000 . 1 . . . . A 15 ARG CD . 30740 1 113 . 1 . 1 14 14 ARG N N 15 118.7204 0.0000 . 1 . . . . A 15 ARG N . 30740 1 114 . 1 . 1 15 15 CYS H H 1 7.7942 0.0000 . 1 . . . . A 16 CYS H . 30740 1 115 . 1 . 1 15 15 CYS HA H 1 4.0621 0.0000 . 1 . . . . A 16 CYS HA . 30740 1 116 . 1 . 1 15 15 CYS C C 13 173.4688 0.0000 . 1 . . . . A 16 CYS C . 30740 1 117 . 1 . 1 15 15 CYS CA C 13 62.7722 0.0000 . 1 . . . . A 16 CYS CA . 30740 1 118 . 1 . 1 15 15 CYS CB C 13 29.2067 0.0000 . 1 . . . . A 16 CYS CB . 30740 1 119 . 1 . 1 15 15 CYS N N 15 115.8294 0.0000 . 1 . . . . A 16 CYS N . 30740 1 120 . 1 . 1 16 16 SER H H 1 7.7431 0.0000 . 1 . . . . A 17 SER H . 30740 1 121 . 1 . 1 16 16 SER HA H 1 4.8207 0.0000 . 1 . . . . A 17 SER HA . 30740 1 122 . 1 . 1 16 16 SER C C 13 171.4244 0.0000 . 1 . . . . A 17 SER C . 30740 1 123 . 1 . 1 16 16 SER CA C 13 61.3478 0.0000 . 1 . . . . A 17 SER CA . 30740 1 124 . 1 . 1 16 16 SER CB C 13 64.1061 0.0000 . 1 . . . . A 17 SER CB . 30740 1 125 . 1 . 1 16 16 SER N N 15 113.4625 0.0000 . 1 . . . . A 17 SER N . 30740 1 126 . 1 . 1 17 17 ASN H H 1 7.5711 0.0000 . 1 . . . . A 18 ASN H . 30740 1 127 . 1 . 1 17 17 ASN HA H 1 4.4416 0.0000 . 1 . . . . A 18 ASN HA . 30740 1 128 . 1 . 1 17 17 ASN HB2 H 1 3.0653 0.0000 . 2 . . . . A 18 ASN HB2 . 30740 1 129 . 1 . 1 17 17 ASN HB3 H 1 2.7334 0.0000 . 2 . . . . A 18 ASN HB3 . 30740 1 130 . 1 . 1 17 17 ASN HD21 H 1 7.0149 0.0000 . 2 . . . . A 18 ASN HD21 . 30740 1 131 . 1 . 1 17 17 ASN HD22 H 1 7.6313 0.0000 . 2 . . . . A 18 ASN HD22 . 30740 1 132 . 1 . 1 17 17 ASN C C 13 172.8542 0.0000 . 1 . . . . A 18 ASN C . 30740 1 133 . 1 . 1 17 17 ASN CA C 13 53.6288 0.0000 . 1 . . . . A 18 ASN CA . 30740 1 134 . 1 . 1 17 17 ASN CB C 13 40.4420 0.0000 . 1 . . . . A 18 ASN CB . 30740 1 135 . 1 . 1 17 17 ASN N N 15 115.9748 0.0000 . 1 . . . . A 18 ASN N . 30740 1 136 . 1 . 1 17 17 ASN ND2 N 15 113.9109 0.0000 . 1 . . . . A 18 ASN ND2 . 30740 1 137 . 1 . 1 18 18 VAL H H 1 7.9294 0.0000 . 1 . . . . A 19 VAL H . 30740 1 138 . 1 . 1 18 18 VAL HA H 1 3.8846 0.0000 . 1 . . . . A 19 VAL HA . 30740 1 139 . 1 . 1 18 18 VAL HB H 1 2.4949 0.0000 . 1 . . . . A 19 VAL HB . 30740 1 140 . 1 . 1 18 18 VAL C C 13 172.4448 0.0000 . 1 . . . . A 19 VAL C . 30740 1 141 . 1 . 1 18 18 VAL CA C 13 63.7556 0.0000 . 1 . . . . A 19 VAL CA . 30740 1 142 . 1 . 1 18 18 VAL CB C 13 32.5485 0.0000 . 1 . . . . A 19 VAL CB . 30740 1 143 . 1 . 1 18 18 VAL CG1 C 13 22.1127 0.0000 . 2 . . . . A 19 VAL CG1 . 30740 1 144 . 1 . 1 18 18 VAL CG2 C 13 21.3196 0.0000 . 2 . . . . A 19 VAL CG2 . 30740 1 145 . 1 . 1 18 18 VAL N N 15 122.2381 0.0000 . 1 . . . . A 19 VAL N . 30740 1 146 . 1 . 1 19 19 ALA H H 1 8.2440 0.0000 . 1 . . . . A 20 ALA H . 30740 1 147 . 1 . 1 19 19 ALA HA H 1 4.8375 0.0000 . 1 . . . . A 20 ALA HA . 30740 1 148 . 1 . 1 19 19 ALA C C 13 175.2961 0.0000 . 1 . . . . A 20 ALA C . 30740 1 149 . 1 . 1 19 19 ALA CA C 13 52.6623 0.0000 . 1 . . . . A 20 ALA CA . 30740 1 150 . 1 . 1 19 19 ALA CB C 13 20.8832 0.0000 . 1 . . . . A 20 ALA CB . 30740 1 151 . 1 . 1 19 19 ALA N N 15 129.0820 0.0000 . 1 . . . . A 20 ALA N . 30740 1 152 . 1 . 1 20 20 VAL H H 1 8.4013 0.0000 . 1 . . . . A 21 VAL H . 30740 1 153 . 1 . 1 20 20 VAL HA H 1 3.7802 0.0000 . 1 . . . . A 21 VAL HA . 30740 1 154 . 1 . 1 20 20 VAL HB H 1 1.6605 0.0000 . 1 . . . . A 21 VAL HB . 30740 1 155 . 1 . 1 20 20 VAL C C 13 174.4095 0.0000 . 1 . . . . A 21 VAL C . 30740 1 156 . 1 . 1 20 20 VAL CA C 13 64.2636 0.0000 . 1 . . . . A 21 VAL CA . 30740 1 157 . 1 . 1 20 20 VAL CB C 13 32.9092 0.0000 . 1 . . . . A 21 VAL CB . 30740 1 158 . 1 . 1 20 20 VAL CG1 C 13 20.5427 0.0000 . 2 . . . . A 21 VAL CG1 . 30740 1 159 . 1 . 1 20 20 VAL CG2 C 13 20.0595 0.0000 . 2 . . . . A 21 VAL CG2 . 30740 1 160 . 1 . 1 20 20 VAL N N 15 119.1201 0.0000 . 1 . . . . A 21 VAL N . 30740 1 161 . 1 . 1 21 21 GLY H H 1 8.1769 0.0000 . 1 . . . . A 22 GLY H . 30740 1 162 . 1 . 1 21 21 GLY C C 13 171.2576 0.0000 . 1 . . . . A 22 GLY C . 30740 1 163 . 1 . 1 21 21 GLY CA C 13 45.2292 0.0000 . 1 . . . . A 22 GLY CA . 30740 1 164 . 1 . 1 21 21 GLY N N 15 108.4834 0.0000 . 1 . . . . A 22 GLY N . 30740 1 165 . 1 . 1 22 22 VAL H H 1 8.0384 0.0000 . 1 . . . . A 23 VAL H . 30740 1 166 . 1 . 1 22 22 VAL HA H 1 3.9647 0.0000 . 1 . . . . A 23 VAL HA . 30740 1 167 . 1 . 1 22 22 VAL HB H 1 2.1463 0.0000 . 1 . . . . A 23 VAL HB . 30740 1 168 . 1 . 1 22 22 VAL C C 13 175.0906 0.0000 . 1 . . . . A 23 VAL C . 30740 1 169 . 1 . 1 22 22 VAL CA C 13 62.4735 0.0000 . 1 . . . . A 23 VAL CA . 30740 1 170 . 1 . 1 22 22 VAL CB C 13 33.6837 0.0000 . 1 . . . . A 23 VAL CB . 30740 1 171 . 1 . 1 22 22 VAL N N 15 117.0706 0.0000 . 1 . . . . A 23 VAL N . 30740 1 172 . 1 . 1 23 23 GLY H H 1 8.6785 0.0000 . 1 . . . . A 24 GLY H . 30740 1 173 . 1 . 1 23 23 GLY C C 13 173.2250 0.0000 . 1 . . . . A 24 GLY C . 30740 1 174 . 1 . 1 23 23 GLY CA C 13 45.9774 0.0000 . 1 . . . . A 24 GLY CA . 30740 1 175 . 1 . 1 23 23 GLY N N 15 112.6301 0.0000 . 1 . . . . A 24 GLY N . 30740 1 176 . 1 . 1 24 24 GLY H H 1 8.5866 0.0000 . 1 . . . . A 25 GLY H . 30740 1 177 . 1 . 1 24 24 GLY C C 13 172.6585 0.0000 . 1 . . . . A 25 GLY C . 30740 1 178 . 1 . 1 24 24 GLY CA C 13 46.3861 0.0000 . 1 . . . . A 25 GLY CA . 30740 1 179 . 1 . 1 24 24 GLY N N 15 109.4844 0.0000 . 1 . . . . A 25 GLY N . 30740 1 180 . 1 . 1 25 25 LYS H H 1 8.2404 0.0000 . 1 . . . . A 26 LYS H . 30740 1 181 . 1 . 1 25 25 LYS HA H 1 4.0529 0.0000 . 1 . . . . A 26 LYS HA . 30740 1 182 . 1 . 1 25 25 LYS C C 13 174.2930 0.0000 . 1 . . . . A 26 LYS C . 30740 1 183 . 1 . 1 25 25 LYS CA C 13 56.5233 0.0000 . 1 . . . . A 26 LYS CA . 30740 1 184 . 1 . 1 25 25 LYS CB C 13 32.8870 0.0000 . 1 . . . . A 26 LYS CB . 30740 1 185 . 1 . 1 25 25 LYS N N 15 119.8783 0.0000 . 1 . . . . A 26 LYS N . 30740 1 186 . 1 . 1 26 26 SER H H 1 7.8246 0.0000 . 1 . . . . A 27 SER H . 30740 1 187 . 1 . 1 26 26 SER HA H 1 4.5106 0.0000 . 1 . . . . A 27 SER HA . 30740 1 188 . 1 . 1 26 26 SER C C 13 172.4712 0.0000 . 1 . . . . A 27 SER C . 30740 1 189 . 1 . 1 26 26 SER CA C 13 58.1090 0.0000 . 1 . . . . A 27 SER CA . 30740 1 190 . 1 . 1 26 26 SER CB C 13 64.8031 0.0000 . 1 . . . . A 27 SER CB . 30740 1 191 . 1 . 1 26 26 SER N N 15 114.3634 0.0000 . 1 . . . . A 27 SER N . 30740 1 192 . 1 . 1 27 27 LYS H H 1 8.3112 0.0000 . 1 . . . . A 28 LYS H . 30740 1 193 . 1 . 1 27 27 LYS HA H 1 4.5622 0.0000 . 1 . . . . A 28 LYS HA . 30740 1 194 . 1 . 1 27 27 LYS C C 13 173.7045 0.0000 . 1 . . . . A 28 LYS C . 30740 1 195 . 1 . 1 27 27 LYS CA C 13 56.9310 0.0000 . 1 . . . . A 28 LYS CA . 30740 1 196 . 1 . 1 27 27 LYS CB C 13 34.0551 0.0000 . 1 . . . . A 28 LYS CB . 30740 1 197 . 1 . 1 27 27 LYS N N 15 123.3261 0.0000 . 1 . . . . A 28 LYS N . 30740 1 198 . 1 . 1 28 28 LYS H H 1 8.4939 0.0000 . 1 . . . . A 29 LYS H . 30740 1 199 . 1 . 1 28 28 LYS HA H 1 4.1883 0.0000 . 1 . . . . A 29 LYS HA . 30740 1 200 . 1 . 1 28 28 LYS C C 13 175.8481 0.0000 . 1 . . . . A 29 LYS C . 30740 1 201 . 1 . 1 28 28 LYS CA C 13 55.2084 0.0000 . 1 . . . . A 29 LYS CA . 30740 1 202 . 1 . 1 28 28 LYS CB C 13 34.9768 0.0000 . 1 . . . . A 29 LYS CB . 30740 1 203 . 1 . 1 28 28 LYS CG C 13 25.4002 0.0000 . 1 . . . . A 29 LYS CG . 30740 1 204 . 1 . 1 28 28 LYS CD C 13 29.3596 0.0000 . 1 . . . . A 29 LYS CD . 30740 1 205 . 1 . 1 28 28 LYS N N 15 120.8239 0.0000 . 1 . . . . A 29 LYS N . 30740 1 206 . 1 . 1 29 29 PHE H H 1 8.1941 0.0000 . 1 . . . . A 30 PHE H . 30740 1 207 . 1 . 1 29 29 PHE HA H 1 4.0288 0.0000 . 1 . . . . A 30 PHE HA . 30740 1 208 . 1 . 1 29 29 PHE HB2 H 1 3.1008 0.0000 . 2 . . . . A 30 PHE HB2 . 30740 1 209 . 1 . 1 29 29 PHE HB3 H 1 3.0351 0.0000 . 2 . . . . A 30 PHE HB3 . 30740 1 210 . 1 . 1 29 29 PHE HZ H 1 7.1740 0.0000 . 1 . . . . A 30 PHE HZ . 30740 1 211 . 1 . 1 29 29 PHE C C 13 173.5880 0.0000 . 1 . . . . A 30 PHE C . 30740 1 212 . 1 . 1 29 29 PHE CA C 13 61.3142 0.0000 . 1 . . . . A 30 PHE CA . 30740 1 213 . 1 . 1 29 29 PHE CB C 13 41.7354 0.0000 . 1 . . . . A 30 PHE CB . 30740 1 214 . 1 . 1 29 29 PHE N N 15 119.5387 0.0000 . 1 . . . . A 30 PHE N . 30740 1 215 . 1 . 1 30 30 GLY H H 1 8.4332 0.0000 . 1 . . . . A 31 GLY H . 30740 1 216 . 1 . 1 30 30 GLY C C 13 172.2888 0.0000 . 1 . . . . A 31 GLY C . 30740 1 217 . 1 . 1 30 30 GLY CA C 13 44.0515 0.0000 . 1 . . . . A 31 GLY CA . 30740 1 218 . 1 . 1 30 30 GLY N N 15 106.9207 0.0000 . 1 . . . . A 31 GLY N . 30740 1 219 . 1 . 1 31 31 GLU H H 1 9.1211 0.0000 . 1 . . . . A 32 GLU H . 30740 1 220 . 1 . 1 31 31 GLU HA H 1 4.1084 0.0000 . 1 . . . . A 32 GLU HA . 30740 1 221 . 1 . 1 31 31 GLU C C 13 176.7873 0.0000 . 1 . . . . A 32 GLU C . 30740 1 222 . 1 . 1 31 31 GLU CA C 13 61.6499 0.0000 . 1 . . . . A 32 GLU CA . 30740 1 223 . 1 . 1 31 31 GLU CB C 13 30.4301 0.0000 . 1 . . . . A 32 GLU CB . 30740 1 224 . 1 . 1 31 31 GLU N N 15 120.1209 0.0000 . 1 . . . . A 32 GLU N . 30740 1 225 . 1 . 1 32 32 GLY H H 1 9.2722 0.0000 . 1 . . . . A 33 GLY H . 30740 1 226 . 1 . 1 32 32 GLY C C 13 175.1606 0.0000 . 1 . . . . A 33 GLY C . 30740 1 227 . 1 . 1 32 32 GLY N N 15 104.9595 0.0000 . 1 . . . . A 33 GLY N . 30740 1 228 . 1 . 1 33 33 ASN H H 1 7.9818 0.0000 . 1 . . . . A 34 ASN H . 30740 1 229 . 1 . 1 33 33 ASN HA H 1 4.1141 0.0000 . 1 . . . . A 34 ASN HA . 30740 1 230 . 1 . 1 33 33 ASN HD21 H 1 7.0748 0.0000 . 2 . . . . A 34 ASN HD21 . 30740 1 231 . 1 . 1 33 33 ASN HD22 H 1 7.9308 0.0000 . 2 . . . . A 34 ASN HD22 . 30740 1 232 . 1 . 1 33 33 ASN C C 13 175.0772 0.0000 . 1 . . . . A 34 ASN C . 30740 1 233 . 1 . 1 33 33 ASN CA C 13 58.3720 0.0000 . 1 . . . . A 34 ASN CA . 30740 1 234 . 1 . 1 33 33 ASN CB C 13 39.5193 0.0000 . 1 . . . . A 34 ASN CB . 30740 1 235 . 1 . 1 33 33 ASN N N 15 118.2783 0.0000 . 1 . . . . A 34 ASN N . 30740 1 236 . 1 . 1 33 33 ASN ND2 N 15 111.6375 0.0000 . 1 . . . . A 34 ASN ND2 . 30740 1 237 . 1 . 1 34 34 PHE H H 1 7.2902 0.0000 . 1 . . . . A 35 PHE H . 30740 1 238 . 1 . 1 34 34 PHE HA H 1 3.7630 0.0000 . 1 . . . . A 35 PHE HA . 30740 1 239 . 1 . 1 34 34 PHE HB2 H 1 2.9259 0.0000 . 2 . . . . A 35 PHE HB2 . 30740 1 240 . 1 . 1 34 34 PHE HB3 H 1 2.8738 0.0000 . 2 . . . . A 35 PHE HB3 . 30740 1 241 . 1 . 1 34 34 PHE HZ H 1 6.6881 0.0000 . 1 . . . . A 35 PHE HZ . 30740 1 242 . 1 . 1 34 34 PHE C C 13 175.1311 0.0000 . 1 . . . . A 35 PHE C . 30740 1 243 . 1 . 1 34 34 PHE CA C 13 63.1326 0.0000 . 1 . . . . A 35 PHE CA . 30740 1 244 . 1 . 1 34 34 PHE CB C 13 39.6573 0.0000 . 1 . . . . A 35 PHE CB . 30740 1 245 . 1 . 1 34 34 PHE N N 15 117.3485 0.0000 . 1 . . . . A 35 PHE N . 30740 1 246 . 1 . 1 35 35 ARG H H 1 8.5505 0.0000 . 1 . . . . A 36 ARG H . 30740 1 247 . 1 . 1 35 35 ARG HA H 1 4.1236 0.0000 . 1 . . . . A 36 ARG HA . 30740 1 248 . 1 . 1 35 35 ARG HG2 H 1 1.9621 0.0000 . 2 . . . . A 36 ARG HG2 . 30740 1 249 . 1 . 1 35 35 ARG C C 13 176.9062 0.0000 . 1 . . . . A 36 ARG C . 30740 1 250 . 1 . 1 35 35 ARG CA C 13 60.6649 0.0000 . 1 . . . . A 36 ARG CA . 30740 1 251 . 1 . 1 35 35 ARG CB C 13 30.6414 0.0000 . 1 . . . . A 36 ARG CB . 30740 1 252 . 1 . 1 35 35 ARG CG C 13 29.6192 0.0000 . 1 . . . . A 36 ARG CG . 30740 1 253 . 1 . 1 35 35 ARG CD C 13 43.8295 0.0000 . 1 . . . . A 36 ARG CD . 30740 1 254 . 1 . 1 35 35 ARG N N 15 117.8793 0.0000 . 1 . . . . A 36 ARG N . 30740 1 255 . 1 . 1 36 36 TRP H H 1 8.1980 0.0000 . 1 . . . . A 37 TRP H . 30740 1 256 . 1 . 1 36 36 TRP HA H 1 4.0543 0.0000 . 1 . . . . A 37 TRP HA . 30740 1 257 . 1 . 1 36 36 TRP HD1 H 1 7.3918 0.0000 . 1 . . . . A 37 TRP HD1 . 30740 1 258 . 1 . 1 36 36 TRP HE1 H 1 10.3847 0.0000 . 1 . . . . A 37 TRP HE1 . 30740 1 259 . 1 . 1 36 36 TRP HE3 H 1 7.8727 0.0000 . 1 . . . . A 37 TRP HE3 . 30740 1 260 . 1 . 1 36 36 TRP HZ2 H 1 7.4445 0.0000 . 1 . . . . A 37 TRP HZ2 . 30740 1 261 . 1 . 1 36 36 TRP HZ3 H 1 6.7544 0.0000 . 1 . . . . A 37 TRP HZ3 . 30740 1 262 . 1 . 1 36 36 TRP HH2 H 1 7.6235 0.0000 . 1 . . . . A 37 TRP HH2 . 30740 1 263 . 1 . 1 36 36 TRP C C 13 175.2021 0.0000 . 1 . . . . A 37 TRP C . 30740 1 264 . 1 . 1 36 36 TRP CA C 13 62.3625 0.0000 . 1 . . . . A 37 TRP CA . 30740 1 265 . 1 . 1 36 36 TRP CB C 13 28.6077 0.0000 . 1 . . . . A 37 TRP CB . 30740 1 266 . 1 . 1 36 36 TRP CD1 C 13 128.2845 0.0000 . 1 . . . . A 37 TRP CD1 . 30740 1 267 . 1 . 1 36 36 TRP CE3 C 13 121.4363 0.0000 . 1 . . . . A 37 TRP CE3 . 30740 1 268 . 1 . 1 36 36 TRP CZ2 C 13 114.5625 0.0000 . 1 . . . . A 37 TRP CZ2 . 30740 1 269 . 1 . 1 36 36 TRP CZ3 C 13 120.2175 0.0000 . 1 . . . . A 37 TRP CZ3 . 30740 1 270 . 1 . 1 36 36 TRP CH2 C 13 124.7343 0.0000 . 1 . . . . A 37 TRP CH2 . 30740 1 271 . 1 . 1 36 36 TRP N N 15 118.7364 0.0000 . 1 . . . . A 37 TRP N . 30740 1 272 . 1 . 1 36 36 TRP NE1 N 15 130.7332 0.0000 . 1 . . . . A 37 TRP NE1 . 30740 1 273 . 1 . 1 37 37 ALA H H 1 8.2812 0.0000 . 1 . . . . A 38 ALA H . 30740 1 274 . 1 . 1 37 37 ALA HA H 1 3.3044 0.0000 . 1 . . . . A 38 ALA HA . 30740 1 275 . 1 . 1 37 37 ALA C C 13 176.8339 0.0000 . 1 . . . . A 38 ALA C . 30740 1 276 . 1 . 1 37 37 ALA CA C 13 55.8500 0.0000 . 1 . . . . A 38 ALA CA . 30740 1 277 . 1 . 1 37 37 ALA CB C 13 19.8950 0.0000 . 1 . . . . A 38 ALA CB . 30740 1 278 . 1 . 1 37 37 ALA N N 15 120.5977 0.0000 . 1 . . . . A 38 ALA N . 30740 1 279 . 1 . 1 38 38 ILE H H 1 8.2699 0.0000 . 1 . . . . A 39 ILE H . 30740 1 280 . 1 . 1 38 38 ILE HA H 1 3.7050 0.0000 . 1 . . . . A 39 ILE HA . 30740 1 281 . 1 . 1 38 38 ILE HB H 1 1.7653 0.0000 . 1 . . . . A 39 ILE HB . 30740 1 282 . 1 . 1 38 38 ILE C C 13 174.3776 0.0000 . 1 . . . . A 39 ILE C . 30740 1 283 . 1 . 1 38 38 ILE CA C 13 64.2119 0.0000 . 1 . . . . A 39 ILE CA . 30740 1 284 . 1 . 1 38 38 ILE CB C 13 38.8911 0.0000 . 1 . . . . A 39 ILE CB . 30740 1 285 . 1 . 1 38 38 ILE CG2 C 13 18.9067 0.0000 . 1 . . . . A 39 ILE CG2 . 30740 1 286 . 1 . 1 38 38 ILE CD1 C 13 13.8474 0.0000 . 1 . . . . A 39 ILE CD1 . 30740 1 287 . 1 . 1 38 38 ILE N N 15 116.2998 0.0000 . 1 . . . . A 39 ILE N . 30740 1 288 . 1 . 1 39 39 ARG H H 1 7.3340 0.0000 . 1 . . . . A 40 ARG H . 30740 1 289 . 1 . 1 39 39 ARG HA H 1 4.1069 0.0000 . 1 . . . . A 40 ARG HA . 30740 1 290 . 1 . 1 39 39 ARG HE H 1 7.1931 0.0000 . 1 . . . . A 40 ARG HE . 30740 1 291 . 1 . 1 39 39 ARG C C 13 176.2574 0.0000 . 1 . . . . A 40 ARG C . 30740 1 292 . 1 . 1 39 39 ARG CA C 13 60.9264 0.0000 . 1 . . . . A 40 ARG CA . 30740 1 293 . 1 . 1 39 39 ARG CB C 13 30.1729 0.0000 . 1 . . . . A 40 ARG CB . 30740 1 294 . 1 . 1 39 39 ARG CG C 13 29.6315 0.0000 . 1 . . . . A 40 ARG CG . 30740 1 295 . 1 . 1 39 39 ARG CD C 13 43.9277 0.0000 . 1 . . . . A 40 ARG CD . 30740 1 296 . 1 . 1 39 39 ARG N N 15 119.9853 0.0000 . 1 . . . . A 40 ARG N . 30740 1 297 . 1 . 1 40 40 MET H H 1 8.0635 0.0000 . 1 . . . . A 41 MET H . 30740 1 298 . 1 . 1 40 40 MET HA H 1 4.0082 0.0000 . 1 . . . . A 41 MET HA . 30740 1 299 . 1 . 1 40 40 MET C C 13 177.3930 0.0000 . 1 . . . . A 41 MET C . 30740 1 300 . 1 . 1 40 40 MET CA C 13 58.2884 0.0000 . 1 . . . . A 41 MET CA . 30740 1 301 . 1 . 1 40 40 MET CB C 13 31.5170 0.0000 . 1 . . . . A 41 MET CB . 30740 1 302 . 1 . 1 40 40 MET CG C 13 32.4458 0.0000 . 1 . . . . A 41 MET CG . 30740 1 303 . 1 . 1 40 40 MET CE C 13 19.0497 0.0000 . 1 . . . . A 41 MET CE . 30740 1 304 . 1 . 1 40 40 MET N N 15 117.4977 0.0000 . 1 . . . . A 41 MET N . 30740 1 305 . 1 . 1 41 41 ALA H H 1 8.5070 0.0000 . 1 . . . . A 42 ALA H . 30740 1 306 . 1 . 1 41 41 ALA HA H 1 3.7967 0.0000 . 1 . . . . A 42 ALA HA . 30740 1 307 . 1 . 1 41 41 ALA C C 13 177.6673 0.0000 . 1 . . . . A 42 ALA C . 30740 1 308 . 1 . 1 41 41 ALA CA C 13 55.6562 0.0000 . 1 . . . . A 42 ALA CA . 30740 1 309 . 1 . 1 41 41 ALA CB C 13 20.2303 0.0000 . 1 . . . . A 42 ALA CB . 30740 1 310 . 1 . 1 41 41 ALA N N 15 123.6051 0.0000 . 1 . . . . A 42 ALA N . 30740 1 311 . 1 . 1 42 42 ASN H H 1 8.5943 0.0000 . 1 . . . . A 43 ASN H . 30740 1 312 . 1 . 1 42 42 ASN HA H 1 4.0995 0.0000 . 1 . . . . A 43 ASN HA . 30740 1 313 . 1 . 1 42 42 ASN HB2 H 1 2.7684 0.0000 . 2 . . . . A 43 ASN HB2 . 30740 1 314 . 1 . 1 42 42 ASN HB3 H 1 2.3835 0.0000 . 2 . . . . A 43 ASN HB3 . 30740 1 315 . 1 . 1 42 42 ASN HD21 H 1 6.2927 0.0000 . 2 . . . . A 43 ASN HD21 . 30740 1 316 . 1 . 1 42 42 ASN HD22 H 1 7.1288 0.0000 . 2 . . . . A 43 ASN HD22 . 30740 1 317 . 1 . 1 42 42 ASN C C 13 175.8984 0.0000 . 1 . . . . A 43 ASN C . 30740 1 318 . 1 . 1 42 42 ASN CA C 13 56.8020 0.0000 . 1 . . . . A 43 ASN CA . 30740 1 319 . 1 . 1 42 42 ASN CB C 13 38.4598 0.0000 . 1 . . . . A 43 ASN CB . 30740 1 320 . 1 . 1 42 42 ASN N N 15 119.3672 0.0000 . 1 . . . . A 43 ASN N . 30740 1 321 . 1 . 1 42 42 ASN ND2 N 15 109.8556 0.0000 . 1 . . . . A 43 ASN ND2 . 30740 1 322 . 1 . 1 43 43 VAL H H 1 8.5649 0.0000 . 1 . . . . A 44 VAL H . 30740 1 323 . 1 . 1 43 43 VAL HA H 1 3.9686 0.0000 . 1 . . . . A 44 VAL HA . 30740 1 324 . 1 . 1 43 43 VAL HB H 1 2.2168 0.0000 . 1 . . . . A 44 VAL HB . 30740 1 325 . 1 . 1 43 43 VAL C C 13 177.9375 0.0000 . 1 . . . . A 44 VAL C . 30740 1 326 . 1 . 1 43 43 VAL CA C 13 66.6545 0.0000 . 1 . . . . A 44 VAL CA . 30740 1 327 . 1 . 1 43 43 VAL CB C 13 32.0157 0.0000 . 1 . . . . A 44 VAL CB . 30740 1 328 . 1 . 1 43 43 VAL CG1 C 13 21.9312 0.0000 . 2 . . . . A 44 VAL CG1 . 30740 1 329 . 1 . 1 43 43 VAL CG2 C 13 21.6540 0.0000 . 2 . . . . A 44 VAL CG2 . 30740 1 330 . 1 . 1 43 43 VAL N N 15 118.5800 0.0000 . 1 . . . . A 44 VAL N . 30740 1 331 . 1 . 1 44 44 SER H H 1 8.0604 0.0000 . 1 . . . . A 45 SER H . 30740 1 332 . 1 . 1 44 44 SER HA H 1 4.1698 0.0000 . 1 . . . . A 45 SER HA . 30740 1 333 . 1 . 1 44 44 SER C C 13 172.1842 0.0000 . 1 . . . . A 45 SER C . 30740 1 334 . 1 . 1 44 44 SER CA C 13 62.0149 0.0000 . 1 . . . . A 45 SER CA . 30740 1 335 . 1 . 1 44 44 SER CB C 13 64.6360 0.0000 . 1 . . . . A 45 SER CB . 30740 1 336 . 1 . 1 44 44 SER N N 15 113.6107 0.0000 . 1 . . . . A 45 SER N . 30740 1 337 . 1 . 1 45 45 THR H H 1 7.5531 0.0000 . 1 . . . . A 46 THR H . 30740 1 338 . 1 . 1 45 45 THR HA H 1 4.3792 0.0000 . 1 . . . . A 46 THR HA . 30740 1 339 . 1 . 1 45 45 THR HB H 1 4.0590 0.0000 . 1 . . . . A 46 THR HB . 30740 1 340 . 1 . 1 45 45 THR HG21 H 1 1.1231 0.0000 . 1 . . . . A 46 THR HG21 . 30740 1 341 . 1 . 1 45 45 THR HG22 H 1 1.1231 0.0000 . 1 . . . . A 46 THR HG22 . 30740 1 342 . 1 . 1 45 45 THR HG23 H 1 1.1231 0.0000 . 1 . . . . A 46 THR HG23 . 30740 1 343 . 1 . 1 45 45 THR C C 13 172.6003 0.0000 . 1 . . . . A 46 THR C . 30740 1 344 . 1 . 1 45 45 THR CA C 13 61.4385 0.0000 . 1 . . . . A 46 THR CA . 30740 1 345 . 1 . 1 45 45 THR CB C 13 70.4234 0.0000 . 1 . . . . A 46 THR CB . 30740 1 346 . 1 . 1 45 45 THR CG2 C 13 22.0353 0.0000 . 1 . . . . A 46 THR CG2 . 30740 1 347 . 1 . 1 45 45 THR N N 15 106.2350 0.0000 . 1 . . . . A 46 THR N . 30740 1 348 . 1 . 1 46 46 GLY H H 1 7.5702 0.0000 . 1 . . . . A 47 GLY H . 30740 1 349 . 1 . 1 46 46 GLY HA2 H 1 4.1308 0.0000 . 2 . . . . A 47 GLY HA2 . 30740 1 350 . 1 . 1 46 46 GLY HA3 H 1 3.9181 0.0000 . 2 . . . . A 47 GLY HA3 . 30740 1 351 . 1 . 1 46 46 GLY C C 13 172.5297 0.0000 . 1 . . . . A 47 GLY C . 30740 1 352 . 1 . 1 46 46 GLY CA C 13 47.0973 0.0000 . 1 . . . . A 47 GLY CA . 30740 1 353 . 1 . 1 46 46 GLY N N 15 109.3933 0.0000 . 1 . . . . A 47 GLY N . 30740 1 354 . 1 . 1 47 47 ARG H H 1 8.2805 0.0000 . 1 . . . . A 48 ARG H . 30740 1 355 . 1 . 1 47 47 ARG HA H 1 4.4164 0.0000 . 1 . . . . A 48 ARG HA . 30740 1 356 . 1 . 1 47 47 ARG C C 13 173.8039 0.0000 . 1 . . . . A 48 ARG C . 30740 1 357 . 1 . 1 47 47 ARG CA C 13 55.7820 0.0000 . 1 . . . . A 48 ARG CA . 30740 1 358 . 1 . 1 47 47 ARG CB C 13 32.8933 0.0000 . 1 . . . . A 48 ARG CB . 30740 1 359 . 1 . 1 47 47 ARG CG C 13 28.9092 0.0000 . 1 . . . . A 48 ARG CG . 30740 1 360 . 1 . 1 47 47 ARG CD C 13 43.8101 0.0000 . 1 . . . . A 48 ARG CD . 30740 1 361 . 1 . 1 47 47 ARG N N 15 120.5897 0.0000 . 1 . . . . A 48 ARG N . 30740 1 362 . 1 . 1 48 48 GLU H H 1 8.6544 0.0000 . 1 . . . . A 49 GLU H . 30740 1 363 . 1 . 1 48 48 GLU HA H 1 4.4141 0.0000 . 1 . . . . A 49 GLU HA . 30740 1 364 . 1 . 1 48 48 GLU HB2 H 1 2.1104 0.0000 . 2 . . . . A 49 GLU HB2 . 30740 1 365 . 1 . 1 48 48 GLU C C 13 176.6698 0.0000 . 1 . . . . A 49 GLU C . 30740 1 366 . 1 . 1 48 48 GLU CA C 13 55.3443 0.0000 . 1 . . . . A 49 GLU CA . 30740 1 367 . 1 . 1 48 48 GLU CB C 13 29.0556 0.0000 . 1 . . . . A 49 GLU CB . 30740 1 368 . 1 . 1 48 48 GLU CG C 13 37.6704 0.0000 . 1 . . . . A 49 GLU CG . 30740 1 369 . 1 . 1 48 48 GLU N N 15 122.7793 0.0000 . 1 . . . . A 49 GLU N . 30740 1 370 . 1 . 1 49 49 PRO C C 13 176.1826 0.0000 . 1 . . . . A 50 PRO C . 30740 1 371 . 1 . 1 49 49 PRO CA C 13 66.4635 0.0000 . 1 . . . . A 50 PRO CA . 30740 1 372 . 1 . 1 49 49 PRO CB C 13 32.3526 0.0000 . 1 . . . . A 50 PRO CB . 30740 1 373 . 1 . 1 49 49 PRO CG C 13 29.4836 0.0000 . 1 . . . . A 50 PRO CG . 30740 1 374 . 1 . 1 50 50 GLY H H 1 8.3952 0.0000 . 1 . . . . A 51 GLY H . 30740 1 375 . 1 . 1 50 50 GLY HA2 H 1 4.0740 0.0000 . 2 . . . . A 51 GLY HA2 . 30740 1 376 . 1 . 1 50 50 GLY HA3 H 1 3.5858 0.0000 . 2 . . . . A 51 GLY HA3 . 30740 1 377 . 1 . 1 50 50 GLY C C 13 171.8374 0.0000 . 1 . . . . A 51 GLY C . 30740 1 378 . 1 . 1 50 50 GLY CA C 13 45.5300 0.0000 . 1 . . . . A 51 GLY CA . 30740 1 379 . 1 . 1 50 50 GLY N N 15 102.5652 0.0000 . 1 . . . . A 51 GLY N . 30740 1 380 . 1 . 1 51 51 ASP H H 1 7.2119 0.0000 . 1 . . . . A 52 ASP H . 30740 1 381 . 1 . 1 51 51 ASP HA H 1 4.4615 0.0000 . 1 . . . . A 52 ASP HA . 30740 1 382 . 1 . 1 51 51 ASP C C 13 173.7925 0.0000 . 1 . . . . A 52 ASP C . 30740 1 383 . 1 . 1 51 51 ASP CA C 13 55.1330 0.0000 . 1 . . . . A 52 ASP CA . 30740 1 384 . 1 . 1 51 51 ASP CB C 13 40.2098 0.0000 . 1 . . . . A 52 ASP CB . 30740 1 385 . 1 . 1 51 51 ASP N N 15 120.5813 0.0000 . 1 . . . . A 52 ASP N . 30740 1 386 . 1 . 1 52 52 ILE H H 1 8.1351 0.0000 . 1 . . . . A 53 ILE H . 30740 1 387 . 1 . 1 52 52 ILE HA H 1 4.4617 0.0000 . 1 . . . . A 53 ILE HA . 30740 1 388 . 1 . 1 52 52 ILE HB H 1 1.7286 0.0000 . 1 . . . . A 53 ILE HB . 30740 1 389 . 1 . 1 52 52 ILE HD11 H 1 0.7307 0.0000 . 1 . . . . A 53 ILE HD11 . 30740 1 390 . 1 . 1 52 52 ILE HD12 H 1 0.7307 0.0000 . 1 . . . . A 53 ILE HD12 . 30740 1 391 . 1 . 1 52 52 ILE HD13 H 1 0.7307 0.0000 . 1 . . . . A 53 ILE HD13 . 30740 1 392 . 1 . 1 52 52 ILE C C 13 174.2950 0.0000 . 1 . . . . A 53 ILE C . 30740 1 393 . 1 . 1 52 52 ILE CA C 13 57.6518 0.0000 . 1 . . . . A 53 ILE CA . 30740 1 394 . 1 . 1 52 52 ILE CB C 13 41.0237 0.0000 . 1 . . . . A 53 ILE CB . 30740 1 395 . 1 . 1 52 52 ILE CG1 C 13 27.0760 0.0000 . 1 . . . . A 53 ILE CG1 . 30740 1 396 . 1 . 1 52 52 ILE CG2 C 13 17.6773 0.0000 . 1 . . . . A 53 ILE CG2 . 30740 1 397 . 1 . 1 52 52 ILE CD1 C 13 13.6038 0.0000 . 1 . . . . A 53 ILE CD1 . 30740 1 398 . 1 . 1 52 52 ILE N N 15 127.3081 0.0000 . 1 . . . . A 53 ILE N . 30740 1 399 . 1 . 1 53 53 PRO HA H 1 4.2876 0.0000 . 1 . . . . A 54 PRO HA . 30740 1 400 . 1 . 1 53 53 PRO HG2 H 1 2.0011 0.0000 . 2 . . . . A 54 PRO HG2 . 30740 1 401 . 1 . 1 53 53 PRO HD3 H 1 3.6288 0.0000 . 2 . . . . A 54 PRO HD3 . 30740 1 402 . 1 . 1 53 53 PRO C C 13 173.5127 0.0000 . 1 . . . . A 54 PRO C . 30740 1 403 . 1 . 1 53 53 PRO CA C 13 63.5450 0.0000 . 1 . . . . A 54 PRO CA . 30740 1 404 . 1 . 1 53 53 PRO CB C 13 32.4139 0.0000 . 1 . . . . A 54 PRO CB . 30740 1 405 . 1 . 1 53 53 PRO CG C 13 28.2593 0.0000 . 1 . . . . A 54 PRO CG . 30740 1 406 . 1 . 1 53 53 PRO CD C 13 51.6768 0.0000 . 1 . . . . A 54 PRO CD . 30740 1 407 . 1 . 1 54 54 GLU H H 1 8.5758 0.0000 . 1 . . . . A 55 GLU H . 30740 1 408 . 1 . 1 54 54 GLU HA H 1 4.3672 0.0000 . 1 . . . . A 55 GLU HA . 30740 1 409 . 1 . 1 54 54 GLU HG2 H 1 2.5524 0.0000 . 2 . . . . A 55 GLU HG2 . 30740 1 410 . 1 . 1 54 54 GLU C C 13 174.3553 0.0000 . 1 . . . . A 55 GLU C . 30740 1 411 . 1 . 1 54 54 GLU CA C 13 57.5311 0.0000 . 1 . . . . A 55 GLU CA . 30740 1 412 . 1 . 1 54 54 GLU CB C 13 32.2608 0.0000 . 1 . . . . A 55 GLU CB . 30740 1 413 . 1 . 1 54 54 GLU CG C 13 37.6850 0.0000 . 1 . . . . A 55 GLU CG . 30740 1 414 . 1 . 1 54 54 GLU N N 15 119.3826 0.0000 . 1 . . . . A 55 GLU N . 30740 1 415 . 1 . 1 55 55 THR H H 1 7.4678 0.0000 . 1 . . . . A 56 THR H . 30740 1 416 . 1 . 1 55 55 THR HA H 1 4.0974 0.0000 . 1 . . . . A 56 THR HA . 30740 1 417 . 1 . 1 55 55 THR HB H 1 4.6464 0.0000 . 1 . . . . A 56 THR HB . 30740 1 418 . 1 . 1 55 55 THR C C 13 172.5774 0.0000 . 1 . . . . A 56 THR C . 30740 1 419 . 1 . 1 55 55 THR CA C 13 63.6908 0.0000 . 1 . . . . A 56 THR CA . 30740 1 420 . 1 . 1 55 55 THR CB C 13 73.4706 0.0000 . 1 . . . . A 56 THR CB . 30740 1 421 . 1 . 1 55 55 THR CG2 C 13 22.4689 0.0000 . 1 . . . . A 56 THR CG2 . 30740 1 422 . 1 . 1 55 55 THR N N 15 105.3716 0.0000 . 1 . . . . A 56 THR N . 30740 1 423 . 1 . 1 56 56 LEU H H 1 9.1847 0.0000 . 1 . . . . A 57 LEU H . 30740 1 424 . 1 . 1 56 56 LEU HA H 1 4.0899 0.0000 . 1 . . . . A 57 LEU HA . 30740 1 425 . 1 . 1 56 56 LEU HG H 1 1.7414 0.0000 . 1 . . . . A 57 LEU HG . 30740 1 426 . 1 . 1 56 56 LEU C C 13 176.2958 0.0000 . 1 . . . . A 57 LEU C . 30740 1 427 . 1 . 1 56 56 LEU CA C 13 58.7045 0.0000 . 1 . . . . A 57 LEU CA . 30740 1 428 . 1 . 1 56 56 LEU CB C 13 41.6128 0.0000 . 1 . . . . A 57 LEU CB . 30740 1 429 . 1 . 1 56 56 LEU CG C 13 27.7672 0.0000 . 1 . . . . A 57 LEU CG . 30740 1 430 . 1 . 1 56 56 LEU N N 15 122.8697 0.0000 . 1 . . . . A 57 LEU N . 30740 1 431 . 1 . 1 57 57 ASP H H 1 8.6375 0.0000 . 1 . . . . A 58 ASP H . 30740 1 432 . 1 . 1 57 57 ASP HA H 1 4.2948 0.0000 . 1 . . . . A 58 ASP HA . 30740 1 433 . 1 . 1 57 57 ASP C C 13 176.3385 0.0000 . 1 . . . . A 58 ASP C . 30740 1 434 . 1 . 1 57 57 ASP CA C 13 58.9366 0.0000 . 1 . . . . A 58 ASP CA . 30740 1 435 . 1 . 1 57 57 ASP CB C 13 40.7315 0.0000 . 1 . . . . A 58 ASP CB . 30740 1 436 . 1 . 1 57 57 ASP N N 15 118.3059 0.0000 . 1 . . . . A 58 ASP N . 30740 1 437 . 1 . 1 58 58 GLN H H 1 7.7020 0.0000 . 1 . . . . A 59 GLN H . 30740 1 438 . 1 . 1 58 58 GLN HA H 1 4.1060 0.0000 . 1 . . . . A 59 GLN HA . 30740 1 439 . 1 . 1 58 58 GLN HE21 H 1 7.1700 0.0000 . 2 . . . . A 59 GLN HE21 . 30740 1 440 . 1 . 1 58 58 GLN HE22 H 1 7.5313 0.0000 . 2 . . . . A 59 GLN HE22 . 30740 1 441 . 1 . 1 58 58 GLN C C 13 177.2679 0.0000 . 1 . . . . A 59 GLN C . 30740 1 442 . 1 . 1 58 58 GLN CA C 13 59.5426 0.0000 . 1 . . . . A 59 GLN CA . 30740 1 443 . 1 . 1 58 58 GLN CB C 13 29.4473 0.0000 . 1 . . . . A 59 GLN CB . 30740 1 444 . 1 . 1 58 58 GLN CG C 13 34.6190 0.0000 . 1 . . . . A 59 GLN CG . 30740 1 445 . 1 . 1 58 58 GLN N N 15 116.8135 0.0000 . 1 . . . . A 59 GLN N . 30740 1 446 . 1 . 1 58 58 GLN NE2 N 15 111.7515 0.0000 . 1 . . . . A 59 GLN NE2 . 30740 1 447 . 1 . 1 59 59 LEU H H 1 8.1858 0.0000 . 1 . . . . A 60 LEU H . 30740 1 448 . 1 . 1 59 59 LEU HA H 1 4.1270 0.0000 . 1 . . . . A 60 LEU HA . 30740 1 449 . 1 . 1 59 59 LEU HB2 H 1 2.2617 0.0000 . 2 . . . . A 60 LEU HB2 . 30740 1 450 . 1 . 1 59 59 LEU HB3 H 1 1.6055 0.0000 . 2 . . . . A 60 LEU HB3 . 30740 1 451 . 1 . 1 59 59 LEU HG H 1 2.0571 0.0000 . 1 . . . . A 60 LEU HG . 30740 1 452 . 1 . 1 59 59 LEU C C 13 175.9833 0.0000 . 1 . . . . A 60 LEU C . 30740 1 453 . 1 . 1 59 59 LEU CA C 13 58.5093 0.0000 . 1 . . . . A 60 LEU CA . 30740 1 454 . 1 . 1 59 59 LEU CB C 13 42.6049 0.0000 . 1 . . . . A 60 LEU CB . 30740 1 455 . 1 . 1 59 59 LEU CG C 13 29.2264 0.0000 . 1 . . . . A 60 LEU CG . 30740 1 456 . 1 . 1 59 59 LEU CD1 C 13 24.6850 0.0000 . 2 . . . . A 60 LEU CD1 . 30740 1 457 . 1 . 1 59 59 LEU N N 15 121.0046 0.0000 . 1 . . . . A 60 LEU N . 30740 1 458 . 1 . 1 60 60 ARG H H 1 9.2336 0.0000 . 1 . . . . A 61 ARG H . 30740 1 459 . 1 . 1 60 60 ARG HA H 1 4.1456 0.0000 . 1 . . . . A 61 ARG HA . 30740 1 460 . 1 . 1 60 60 ARG HE H 1 6.9930 0.0000 . 1 . . . . A 61 ARG HE . 30740 1 461 . 1 . 1 60 60 ARG C C 13 177.1577 0.0000 . 1 . . . . A 61 ARG C . 30740 1 462 . 1 . 1 60 60 ARG CA C 13 60.0164 0.0000 . 1 . . . . A 61 ARG CA . 30740 1 463 . 1 . 1 60 60 ARG CB C 13 35.6468 0.0000 . 1 . . . . A 61 ARG CB . 30740 1 464 . 1 . 1 60 60 ARG CG C 13 27.4201 0.0000 . 1 . . . . A 61 ARG CG . 30740 1 465 . 1 . 1 60 60 ARG CD C 13 44.3200 0.0000 . 1 . . . . A 61 ARG CD . 30740 1 466 . 1 . 1 60 60 ARG N N 15 118.1739 0.0000 . 1 . . . . A 61 ARG N . 30740 1 467 . 1 . 1 61 61 LEU H H 1 7.7164 0.0000 . 1 . . . . A 62 LEU H . 30740 1 468 . 1 . 1 61 61 LEU HA H 1 4.0140 0.0000 . 1 . . . . A 62 LEU HA . 30740 1 469 . 1 . 1 61 61 LEU C C 13 176.1553 0.0000 . 1 . . . . A 62 LEU C . 30740 1 470 . 1 . 1 61 61 LEU CA C 13 59.4326 0.0000 . 1 . . . . A 62 LEU CA . 30740 1 471 . 1 . 1 61 61 LEU CB C 13 41.9410 0.0000 . 1 . . . . A 62 LEU CB . 30740 1 472 . 1 . 1 61 61 LEU CG C 13 27.6042 0.0000 . 1 . . . . A 62 LEU CG . 30740 1 473 . 1 . 1 61 61 LEU N N 15 118.3811 0.0000 . 1 . . . . A 62 LEU N . 30740 1 474 . 1 . 1 62 62 VAL H H 1 7.4344 0.0000 . 1 . . . . A 63 VAL H . 30740 1 475 . 1 . 1 62 62 VAL HA H 1 3.6566 0.0000 . 1 . . . . A 63 VAL HA . 30740 1 476 . 1 . 1 62 62 VAL HB H 1 2.3705 0.0000 . 1 . . . . A 63 VAL HB . 30740 1 477 . 1 . 1 62 62 VAL C C 13 175.8824 0.0000 . 1 . . . . A 63 VAL C . 30740 1 478 . 1 . 1 62 62 VAL CA C 13 67.8018 0.0000 . 1 . . . . A 63 VAL CA . 30740 1 479 . 1 . 1 62 62 VAL CB C 13 32.1870 0.0000 . 1 . . . . A 63 VAL CB . 30740 1 480 . 1 . 1 62 62 VAL CG1 C 13 22.2295 0.0000 . 2 . . . . A 63 VAL CG1 . 30740 1 481 . 1 . 1 62 62 VAL N N 15 118.8789 0.0000 . 1 . . . . A 63 VAL N . 30740 1 482 . 1 . 1 63 63 ILE H H 1 8.3083 0.0000 . 1 . . . . A 64 ILE H . 30740 1 483 . 1 . 1 63 63 ILE HA H 1 3.4928 0.0000 . 1 . . . . A 64 ILE HA . 30740 1 484 . 1 . 1 63 63 ILE HB H 1 1.9754 0.0000 . 1 . . . . A 64 ILE HB . 30740 1 485 . 1 . 1 63 63 ILE C C 13 176.2978 0.0000 . 1 . . . . A 64 ILE C . 30740 1 486 . 1 . 1 63 63 ILE CA C 13 67.9124 0.0000 . 1 . . . . A 64 ILE CA . 30740 1 487 . 1 . 1 63 63 ILE CB C 13 38.1371 0.0000 . 1 . . . . A 64 ILE CB . 30740 1 488 . 1 . 1 63 63 ILE CG2 C 13 18.3323 0.0000 . 1 . . . . A 64 ILE CG2 . 30740 1 489 . 1 . 1 63 63 ILE CD1 C 13 13.8941 0.0000 . 1 . . . . A 64 ILE CD1 . 30740 1 490 . 1 . 1 63 63 ILE N N 15 119.5671 0.0000 . 1 . . . . A 64 ILE N . 30740 1 491 . 1 . 1 64 64 CYS H H 1 9.0200 0.0000 . 1 . . . . A 65 CYS H . 30740 1 492 . 1 . 1 64 64 CYS HA H 1 4.2853 0.0000 . 1 . . . . A 65 CYS HA . 30740 1 493 . 1 . 1 64 64 CYS HB2 H 1 2.9613 0.0000 . 2 . . . . A 65 CYS HB2 . 30740 1 494 . 1 . 1 64 64 CYS HB3 H 1 3.1092 0.0000 . 2 . . . . A 65 CYS HB3 . 30740 1 495 . 1 . 1 64 64 CYS C C 13 175.6217 0.0000 . 1 . . . . A 65 CYS C . 30740 1 496 . 1 . 1 64 64 CYS CA C 13 64.6932 0.0000 . 1 . . . . A 65 CYS CA . 30740 1 497 . 1 . 1 64 64 CYS CB C 13 27.0369 0.0000 . 1 . . . . A 65 CYS CB . 30740 1 498 . 1 . 1 64 64 CYS N N 15 118.4305 0.0000 . 1 . . . . A 65 CYS N . 30740 1 499 . 1 . 1 65 65 ASP H H 1 8.4813 0.0000 . 1 . . . . A 66 ASP H . 30740 1 500 . 1 . 1 65 65 ASP HA H 1 4.4583 0.0000 . 1 . . . . A 66 ASP HA . 30740 1 501 . 1 . 1 65 65 ASP HB2 H 1 3.0555 0.0000 . 2 . . . . A 66 ASP HB2 . 30740 1 502 . 1 . 1 65 65 ASP C C 13 177.4175 0.0000 . 1 . . . . A 66 ASP C . 30740 1 503 . 1 . 1 65 65 ASP CA C 13 59.2735 0.0000 . 1 . . . . A 66 ASP CA . 30740 1 504 . 1 . 1 65 65 ASP CB C 13 41.1080 0.0000 . 1 . . . . A 66 ASP CB . 30740 1 505 . 1 . 1 65 65 ASP N N 15 120.7096 0.0000 . 1 . . . . A 66 ASP N . 30740 1 506 . 1 . 1 66 66 LEU H H 1 8.6176 0.0000 . 1 . . . . A 67 LEU H . 30740 1 507 . 1 . 1 66 66 LEU HA H 1 4.0691 0.0000 . 1 . . . . A 67 LEU HA . 30740 1 508 . 1 . 1 66 66 LEU HG H 1 1.6752 0.0000 . 1 . . . . A 67 LEU HG . 30740 1 509 . 1 . 1 66 66 LEU C C 13 176.7303 0.0000 . 1 . . . . A 67 LEU C . 30740 1 510 . 1 . 1 66 66 LEU CA C 13 58.4813 0.0000 . 1 . . . . A 67 LEU CA . 30740 1 511 . 1 . 1 66 66 LEU CB C 13 43.1863 0.0000 . 1 . . . . A 67 LEU CB . 30740 1 512 . 1 . 1 66 66 LEU CG C 13 26.4551 0.0000 . 1 . . . . A 67 LEU CG . 30740 1 513 . 1 . 1 66 66 LEU CD1 C 13 26.1042 0.0000 . 2 . . . . A 67 LEU CD1 . 30740 1 514 . 1 . 1 66 66 LEU N N 15 122.4496 0.0000 . 1 . . . . A 67 LEU N . 30740 1 515 . 1 . 1 67 67 GLN H H 1 9.0217 0.0000 . 1 . . . . A 68 GLN H . 30740 1 516 . 1 . 1 67 67 GLN HA H 1 4.0284 0.0000 . 1 . . . . A 68 GLN HA . 30740 1 517 . 1 . 1 67 67 GLN HG2 H 1 2.7487 0.0000 . 2 . . . . A 68 GLN HG2 . 30740 1 518 . 1 . 1 67 67 GLN C C 13 176.8584 0.0000 . 1 . . . . A 68 GLN C . 30740 1 519 . 1 . 1 67 67 GLN CA C 13 60.3241 0.0000 . 1 . . . . A 68 GLN CA . 30740 1 520 . 1 . 1 67 67 GLN CB C 13 28.4294 0.0000 . 1 . . . . A 68 GLN CB . 30740 1 521 . 1 . 1 67 67 GLN CG C 13 36.9059 0.0000 . 1 . . . . A 68 GLN CG . 30740 1 522 . 1 . 1 67 67 GLN N N 15 119.3602 0.0000 . 1 . . . . A 68 GLN N . 30740 1 523 . 1 . 1 67 67 GLN NE2 N 15 111.2382 0.0000 . 1 . . . . A 68 GLN NE2 . 30740 1 524 . 1 . 1 68 68 GLU H H 1 8.4529 0.0000 . 1 . . . . A 69 GLU H . 30740 1 525 . 1 . 1 68 68 GLU HA H 1 4.2311 0.0000 . 1 . . . . A 69 GLU HA . 30740 1 526 . 1 . 1 68 68 GLU C C 13 177.0620 0.0000 . 1 . . . . A 69 GLU C . 30740 1 527 . 1 . 1 68 68 GLU CA C 13 60.3454 0.0000 . 1 . . . . A 69 GLU CA . 30740 1 528 . 1 . 1 68 68 GLU CB C 13 29.7781 0.0000 . 1 . . . . A 69 GLU CB . 30740 1 529 . 1 . 1 68 68 GLU CG C 13 37.5694 0.0000 . 1 . . . . A 69 GLU CG . 30740 1 530 . 1 . 1 68 68 GLU N N 15 120.2036 0.0000 . 1 . . . . A 69 GLU N . 30740 1 531 . 1 . 1 69 69 ARG H H 1 7.9000 0.0000 . 1 . . . . A 70 ARG H . 30740 1 532 . 1 . 1 69 69 ARG HA H 1 3.8806 0.0000 . 1 . . . . A 70 ARG HA . 30740 1 533 . 1 . 1 69 69 ARG HE H 1 7.5438 0.0000 . 1 . . . . A 70 ARG HE . 30740 1 534 . 1 . 1 69 69 ARG C C 13 176.3905 0.0000 . 1 . . . . A 70 ARG C . 30740 1 535 . 1 . 1 69 69 ARG CA C 13 60.0106 0.0000 . 1 . . . . A 70 ARG CA . 30740 1 536 . 1 . 1 69 69 ARG CB C 13 29.9852 0.0000 . 1 . . . . A 70 ARG CB . 30740 1 537 . 1 . 1 69 69 ARG CG C 13 27.4978 0.0000 . 1 . . . . A 70 ARG CG . 30740 1 538 . 1 . 1 69 69 ARG CD C 13 43.9711 0.0000 . 1 . . . . A 70 ARG CD . 30740 1 539 . 1 . 1 69 69 ARG N N 15 119.5610 0.0000 . 1 . . . . A 70 ARG N . 30740 1 540 . 1 . 1 70 70 ARG H H 1 8.2486 0.0000 . 1 . . . . A 71 ARG H . 30740 1 541 . 1 . 1 70 70 ARG HA H 1 4.2473 0.0000 . 1 . . . . A 71 ARG HA . 30740 1 542 . 1 . 1 70 70 ARG HE H 1 7.9100 0.0000 . 1 . . . . A 71 ARG HE . 30740 1 543 . 1 . 1 70 70 ARG C C 13 176.5971 0.0000 . 1 . . . . A 71 ARG C . 30740 1 544 . 1 . 1 70 70 ARG CA C 13 59.3384 0.0000 . 1 . . . . A 71 ARG CA . 30740 1 545 . 1 . 1 70 70 ARG CB C 13 30.6725 0.0000 . 1 . . . . A 71 ARG CB . 30740 1 546 . 1 . 1 70 70 ARG CG C 13 27.3281 0.0000 . 1 . . . . A 71 ARG CG . 30740 1 547 . 1 . 1 70 70 ARG CD C 13 44.0479 0.0000 . 1 . . . . A 71 ARG CD . 30740 1 548 . 1 . 1 70 70 ARG N N 15 120.2014 0.0000 . 1 . . . . A 71 ARG N . 30740 1 549 . 1 . 1 71 71 GLU H H 1 8.0194 0.0000 . 1 . . . . A 72 GLU H . 30740 1 550 . 1 . 1 71 71 GLU HA H 1 4.1078 0.0000 . 1 . . . . A 72 GLU HA . 30740 1 551 . 1 . 1 71 71 GLU C C 13 175.9009 0.0000 . 1 . . . . A 72 GLU C . 30740 1 552 . 1 . 1 71 71 GLU CA C 13 59.3609 0.0000 . 1 . . . . A 72 GLU CA . 30740 1 553 . 1 . 1 71 71 GLU CB C 13 30.0495 0.0000 . 1 . . . . A 72 GLU CB . 30740 1 554 . 1 . 1 71 71 GLU CG C 13 36.8953 0.0000 . 1 . . . . A 72 GLU CG . 30740 1 555 . 1 . 1 71 71 GLU N N 15 118.6803 0.0000 . 1 . . . . A 72 GLU N . 30740 1 556 . 1 . 1 72 72 LYS H H 1 7.8268 0.0000 . 1 . . . . A 73 LYS H . 30740 1 557 . 1 . 1 72 72 LYS HA H 1 4.1007 0.0000 . 1 . . . . A 73 LYS HA . 30740 1 558 . 1 . 1 72 72 LYS HB2 H 1 1.5812 0.0000 . 2 . . . . A 73 LYS HB2 . 30740 1 559 . 1 . 1 72 72 LYS HB3 H 1 1.2807 0.0000 . 2 . . . . A 73 LYS HB3 . 30740 1 560 . 1 . 1 72 72 LYS C C 13 175.9293 0.0000 . 1 . . . . A 73 LYS C . 30740 1 561 . 1 . 1 72 72 LYS CA C 13 59.0236 0.0000 . 1 . . . . A 73 LYS CA . 30740 1 562 . 1 . 1 72 72 LYS CB C 13 34.0008 0.0000 . 1 . . . . A 73 LYS CB . 30740 1 563 . 1 . 1 72 72 LYS CG C 13 24.0304 0.0000 . 1 . . . . A 73 LYS CG . 30740 1 564 . 1 . 1 72 72 LYS CD C 13 29.3940 0.0000 . 1 . . . . A 73 LYS CD . 30740 1 565 . 1 . 1 72 72 LYS CE C 13 42.6456 0.0000 . 1 . . . . A 73 LYS CE . 30740 1 566 . 1 . 1 72 72 LYS N N 15 117.1886 0.0000 . 1 . . . . A 73 LYS N . 30740 1 567 . 1 . 1 73 73 PHE H H 1 8.5160 0.0000 . 1 . . . . A 74 PHE H . 30740 1 568 . 1 . 1 73 73 PHE HA H 1 4.1588 0.0000 . 1 . . . . A 74 PHE HA . 30740 1 569 . 1 . 1 73 73 PHE HB2 H 1 3.4780 0.0000 . 2 . . . . A 74 PHE HB2 . 30740 1 570 . 1 . 1 73 73 PHE HB3 H 1 3.0392 0.0000 . 2 . . . . A 74 PHE HB3 . 30740 1 571 . 1 . 1 73 73 PHE C C 13 174.6447 0.0000 . 1 . . . . A 74 PHE C . 30740 1 572 . 1 . 1 73 73 PHE CA C 13 58.6712 0.0000 . 1 . . . . A 74 PHE CA . 30740 1 573 . 1 . 1 73 73 PHE CB C 13 40.8743 0.0000 . 1 . . . . A 74 PHE CB . 30740 1 574 . 1 . 1 73 73 PHE N N 15 114.9575 0.0000 . 1 . . . . A 74 PHE N . 30740 1 575 . 1 . 1 74 74 GLY H H 1 7.8082 0.0000 . 1 . . . . A 75 GLY H . 30740 1 576 . 1 . 1 74 74 GLY HA2 H 1 4.5737 0.0000 . 2 . . . . A 75 GLY HA2 . 30740 1 577 . 1 . 1 74 74 GLY HA3 H 1 3.9116 0.0000 . 2 . . . . A 75 GLY HA3 . 30740 1 578 . 1 . 1 74 74 GLY C C 13 171.1349 0.0000 . 1 . . . . A 75 GLY C . 30740 1 579 . 1 . 1 74 74 GLY CA C 13 45.1931 0.0000 . 1 . . . . A 75 GLY CA . 30740 1 580 . 1 . 1 74 74 GLY N N 15 109.7593 0.0000 . 1 . . . . A 75 GLY N . 30740 1 581 . 1 . 1 75 75 SER H H 1 8.4025 0.0000 . 1 . . . . A 76 SER H . 30740 1 582 . 1 . 1 75 75 SER HA H 1 4.7417 0.0000 . 1 . . . . A 76 SER HA . 30740 1 583 . 1 . 1 75 75 SER C C 13 172.4194 0.0000 . 1 . . . . A 76 SER C . 30740 1 584 . 1 . 1 75 75 SER CA C 13 58.1485 0.0000 . 1 . . . . A 76 SER CA . 30740 1 585 . 1 . 1 75 75 SER CB C 13 65.4123 0.0000 . 1 . . . . A 76 SER CB . 30740 1 586 . 1 . 1 75 75 SER N N 15 113.1625 0.0000 . 1 . . . . A 76 SER N . 30740 1 587 . 1 . 1 76 76 SER H H 1 8.0990 0.0000 . 1 . . . . A 77 SER H . 30740 1 588 . 1 . 1 76 76 SER HA H 1 4.6322 0.0000 . 1 . . . . A 77 SER HA . 30740 1 589 . 1 . 1 76 76 SER C C 13 172.3777 0.0000 . 1 . . . . A 77 SER C . 30740 1 590 . 1 . 1 76 76 SER CA C 13 57.4690 0.0000 . 1 . . . . A 77 SER CA . 30740 1 591 . 1 . 1 76 76 SER CB C 13 66.4058 0.0000 . 1 . . . . A 77 SER CB . 30740 1 592 . 1 . 1 76 76 SER N N 15 115.0843 0.0000 . 1 . . . . A 77 SER N . 30740 1 593 . 1 . 1 77 77 LYS H H 1 9.0477 0.0000 . 1 . . . . A 78 LYS H . 30740 1 594 . 1 . 1 77 77 LYS HA H 1 4.2279 0.0000 . 1 . . . . A 78 LYS HA . 30740 1 595 . 1 . 1 77 77 LYS C C 13 177.4128 0.0000 . 1 . . . . A 78 LYS C . 30740 1 596 . 1 . 1 77 77 LYS CA C 13 60.4262 0.0000 . 1 . . . . A 78 LYS CA . 30740 1 597 . 1 . 1 77 77 LYS CB C 13 32.5377 0.0000 . 1 . . . . A 78 LYS CB . 30740 1 598 . 1 . 1 77 77 LYS N N 15 122.4285 0.0000 . 1 . . . . A 78 LYS N . 30740 1 599 . 1 . 1 78 78 GLU H H 1 8.7508 0.0000 . 1 . . . . A 79 GLU H . 30740 1 600 . 1 . 1 78 78 GLU HA H 1 4.3440 0.0000 . 1 . . . . A 79 GLU HA . 30740 1 601 . 1 . 1 78 78 GLU C C 13 176.4394 0.0000 . 1 . . . . A 79 GLU C . 30740 1 602 . 1 . 1 78 78 GLU CA C 13 61.4091 0.0000 . 1 . . . . A 79 GLU CA . 30740 1 603 . 1 . 1 78 78 GLU CB C 13 30.2038 0.0000 . 1 . . . . A 79 GLU CB . 30740 1 604 . 1 . 1 78 78 GLU CG C 13 39.1495 0.0000 . 1 . . . . A 79 GLU CG . 30740 1 605 . 1 . 1 78 78 GLU N N 15 118.0357 0.0000 . 1 . . . . A 79 GLU N . 30740 1 606 . 1 . 1 79 79 ILE H H 1 7.8883 0.0000 . 1 . . . . A 80 ILE H . 30740 1 607 . 1 . 1 79 79 ILE HA H 1 3.8071 0.0000 . 1 . . . . A 80 ILE HA . 30740 1 608 . 1 . 1 79 79 ILE HB H 1 2.0184 0.0000 . 1 . . . . A 80 ILE HB . 30740 1 609 . 1 . 1 79 79 ILE C C 13 175.6103 0.0000 . 1 . . . . A 80 ILE C . 30740 1 610 . 1 . 1 79 79 ILE CA C 13 65.6899 0.0000 . 1 . . . . A 80 ILE CA . 30740 1 611 . 1 . 1 79 79 ILE CB C 13 37.7122 0.0000 . 1 . . . . A 80 ILE CB . 30740 1 612 . 1 . 1 79 79 ILE CG1 C 13 29.7478 0.0000 . 1 . . . . A 80 ILE CG1 . 30740 1 613 . 1 . 1 79 79 ILE CG2 C 13 18.4561 0.0000 . 1 . . . . A 80 ILE CG2 . 30740 1 614 . 1 . 1 79 79 ILE CD1 C 13 13.1117 0.0000 . 1 . . . . A 80 ILE CD1 . 30740 1 615 . 1 . 1 79 79 ILE N N 15 120.4398 0.0000 . 1 . . . . A 80 ILE N . 30740 1 616 . 1 . 1 80 80 ASP H H 1 8.3951 0.0000 . 1 . . . . A 81 ASP H . 30740 1 617 . 1 . 1 80 80 ASP HA H 1 4.4651 0.0000 . 1 . . . . A 81 ASP HA . 30740 1 618 . 1 . 1 80 80 ASP C C 13 177.6100 0.0000 . 1 . . . . A 81 ASP C . 30740 1 619 . 1 . 1 80 80 ASP CA C 13 58.6920 0.0000 . 1 . . . . A 81 ASP CA . 30740 1 620 . 1 . 1 80 80 ASP CB C 13 40.0844 0.0000 . 1 . . . . A 81 ASP CB . 30740 1 621 . 1 . 1 80 80 ASP N N 15 120.6782 0.0000 . 1 . . . . A 81 ASP N . 30740 1 622 . 1 . 1 81 81 MET H H 1 8.2201 0.0000 . 1 . . . . A 82 MET H . 30740 1 623 . 1 . 1 81 81 MET HA H 1 4.1775 0.0000 . 1 . . . . A 82 MET HA . 30740 1 624 . 1 . 1 81 81 MET C C 13 177.8286 0.0000 . 1 . . . . A 82 MET C . 30740 1 625 . 1 . 1 81 81 MET CA C 13 58.2799 0.0000 . 1 . . . . A 82 MET CA . 30740 1 626 . 1 . 1 81 81 MET CB C 13 33.2547 0.0000 . 1 . . . . A 82 MET CB . 30740 1 627 . 1 . 1 81 81 MET CG C 13 32.6553 0.0000 . 1 . . . . A 82 MET CG . 30740 1 628 . 1 . 1 81 81 MET CE C 13 17.7258 0.0000 . 1 . . . . A 82 MET CE . 30740 1 629 . 1 . 1 81 81 MET N N 15 118.6989 0.0000 . 1 . . . . A 82 MET N . 30740 1 630 . 1 . 1 82 82 ALA H H 1 9.0028 0.0000 . 1 . . . . A 83 ALA H . 30740 1 631 . 1 . 1 82 82 ALA HA H 1 4.1555 0.0000 . 1 . . . . A 83 ALA HA . 30740 1 632 . 1 . 1 82 82 ALA C C 13 176.7796 0.0000 . 1 . . . . A 83 ALA C . 30740 1 633 . 1 . 1 82 82 ALA CA C 13 57.1161 0.0000 . 1 . . . . A 83 ALA CA . 30740 1 634 . 1 . 1 82 82 ALA CB C 13 17.9751 0.0000 . 1 . . . . A 83 ALA CB . 30740 1 635 . 1 . 1 82 82 ALA N N 15 127.1453 0.0000 . 1 . . . . A 83 ALA N . 30740 1 636 . 1 . 1 83 83 ILE H H 1 8.4751 0.0000 . 1 . . . . A 84 ILE H . 30740 1 637 . 1 . 1 83 83 ILE HA H 1 3.4646 0.0000 . 1 . . . . A 84 ILE HA . 30740 1 638 . 1 . 1 83 83 ILE HB H 1 2.0572 0.0000 . 1 . . . . A 84 ILE HB . 30740 1 639 . 1 . 1 83 83 ILE C C 13 175.5363 0.0000 . 1 . . . . A 84 ILE C . 30740 1 640 . 1 . 1 83 83 ILE CA C 13 67.8659 0.0000 . 1 . . . . A 84 ILE CA . 30740 1 641 . 1 . 1 83 83 ILE CB C 13 38.7754 0.0000 . 1 . . . . A 84 ILE CB . 30740 1 642 . 1 . 1 83 83 ILE CG2 C 13 18.5293 0.0000 . 1 . . . . A 84 ILE CG2 . 30740 1 643 . 1 . 1 83 83 ILE CD1 C 13 15.0328 0.0000 . 1 . . . . A 84 ILE CD1 . 30740 1 644 . 1 . 1 83 83 ILE N N 15 116.7500 0.0000 . 1 . . . . A 84 ILE N . 30740 1 645 . 1 . 1 84 84 VAL H H 1 7.8457 0.0000 . 1 . . . . A 85 VAL H . 30740 1 646 . 1 . 1 84 84 VAL HA H 1 3.6285 0.0000 . 1 . . . . A 85 VAL HA . 30740 1 647 . 1 . 1 84 84 VAL HB H 1 2.3594 0.0000 . 1 . . . . A 85 VAL HB . 30740 1 648 . 1 . 1 84 84 VAL C C 13 175.5494 0.0000 . 1 . . . . A 85 VAL C . 30740 1 649 . 1 . 1 84 84 VAL CA C 13 67.8114 0.0000 . 1 . . . . A 85 VAL CA . 30740 1 650 . 1 . 1 84 84 VAL CB C 13 32.6363 0.0000 . 1 . . . . A 85 VAL CB . 30740 1 651 . 1 . 1 84 84 VAL CG1 C 13 22.6072 0.0000 . 2 . . . . A 85 VAL CG1 . 30740 1 652 . 1 . 1 84 84 VAL CG2 C 13 22.9364 0.0000 . 2 . . . . A 85 VAL CG2 . 30740 1 653 . 1 . 1 84 84 VAL N N 15 117.8248 0.0000 . 1 . . . . A 85 VAL N . 30740 1 654 . 1 . 1 85 85 THR H H 1 8.2038 0.0000 . 1 . . . . A 86 THR H . 30740 1 655 . 1 . 1 85 85 THR HA H 1 3.6473 0.0000 . 1 . . . . A 86 THR HA . 30740 1 656 . 1 . 1 85 85 THR HB H 1 3.6481 0.0000 . 1 . . . . A 86 THR HB . 30740 1 657 . 1 . 1 85 85 THR HG21 H 1 1.5271 0.0000 . 1 . . . . A 86 THR HG21 . 30740 1 658 . 1 . 1 85 85 THR HG22 H 1 1.5271 0.0000 . 1 . . . . A 86 THR HG22 . 30740 1 659 . 1 . 1 85 85 THR HG23 H 1 1.5271 0.0000 . 1 . . . . A 86 THR HG23 . 30740 1 660 . 1 . 1 85 85 THR C C 13 174.4728 0.0000 . 1 . . . . A 86 THR C . 30740 1 661 . 1 . 1 85 85 THR CA C 13 68.0427 0.0000 . 1 . . . . A 86 THR CA . 30740 1 662 . 1 . 1 85 85 THR CB C 13 69.1966 0.0000 . 1 . . . . A 86 THR CB . 30740 1 663 . 1 . 1 85 85 THR CG2 C 13 19.5955 0.0000 . 1 . . . . A 86 THR CG2 . 30740 1 664 . 1 . 1 85 85 THR N N 15 116.2586 0.0000 . 1 . . . . A 86 THR N . 30740 1 665 . 1 . 1 86 86 LEU H H 1 8.2689 0.0000 . 1 . . . . A 87 LEU H . 30740 1 666 . 1 . 1 86 86 LEU HA H 1 4.1517 0.0000 . 1 . . . . A 87 LEU HA . 30740 1 667 . 1 . 1 86 86 LEU HG H 1 2.1025 0.0000 . 1 . . . . A 87 LEU HG . 30740 1 668 . 1 . 1 86 86 LEU C C 13 176.7069 0.0000 . 1 . . . . A 87 LEU C . 30740 1 669 . 1 . 1 86 86 LEU CA C 13 58.7324 0.0000 . 1 . . . . A 87 LEU CA . 30740 1 670 . 1 . 1 86 86 LEU CB C 13 41.4737 0.0000 . 1 . . . . A 87 LEU CB . 30740 1 671 . 1 . 1 86 86 LEU CG C 13 27.6645 0.0000 . 1 . . . . A 87 LEU CG . 30740 1 672 . 1 . 1 86 86 LEU CD1 C 13 24.0135 0.0000 . 2 . . . . A 87 LEU CD1 . 30740 1 673 . 1 . 1 86 86 LEU N N 15 120.3178 0.0000 . 1 . . . . A 87 LEU N . 30740 1 674 . 1 . 1 87 87 LYS H H 1 8.0970 0.0000 . 1 . . . . A 88 LYS H . 30740 1 675 . 1 . 1 87 87 LYS HA H 1 3.7304 0.0000 . 1 . . . . A 88 LYS HA . 30740 1 676 . 1 . 1 87 87 LYS C C 13 177.0097 0.0000 . 1 . . . . A 88 LYS C . 30740 1 677 . 1 . 1 87 87 LYS CA C 13 61.3784 0.0000 . 1 . . . . A 88 LYS CA . 30740 1 678 . 1 . 1 87 87 LYS CB C 13 33.2307 0.0000 . 1 . . . . A 88 LYS CB . 30740 1 679 . 1 . 1 87 87 LYS CG C 13 23.7854 0.0000 . 1 . . . . A 88 LYS CG . 30740 1 680 . 1 . 1 87 87 LYS CD C 13 28.0390 0.0000 . 1 . . . . A 88 LYS CD . 30740 1 681 . 1 . 1 87 87 LYS CE C 13 44.2362 0.0000 . 1 . . . . A 88 LYS CE . 30740 1 682 . 1 . 1 87 87 LYS N N 15 120.4671 0.0000 . 1 . . . . A 88 LYS N . 30740 1 683 . 1 . 1 88 88 VAL H H 1 8.2103 0.0000 . 1 . . . . A 89 VAL H . 30740 1 684 . 1 . 1 88 88 VAL HA H 1 3.6853 0.0000 . 1 . . . . A 89 VAL HA . 30740 1 685 . 1 . 1 88 88 VAL HB H 1 2.3124 0.0000 . 1 . . . . A 89 VAL HB . 30740 1 686 . 1 . 1 88 88 VAL HG11 H 1 1.2760 0.0000 . 2 . . . . A 89 VAL HG11 . 30740 1 687 . 1 . 1 88 88 VAL HG12 H 1 1.2760 0.0000 . 2 . . . . A 89 VAL HG12 . 30740 1 688 . 1 . 1 88 88 VAL HG13 H 1 1.2760 0.0000 . 2 . . . . A 89 VAL HG13 . 30740 1 689 . 1 . 1 88 88 VAL C C 13 175.1883 0.0000 . 1 . . . . A 89 VAL C . 30740 1 690 . 1 . 1 88 88 VAL CA C 13 68.2724 0.0000 . 1 . . . . A 89 VAL CA . 30740 1 691 . 1 . 1 88 88 VAL CB C 13 31.6713 0.0000 . 1 . . . . A 89 VAL CB . 30740 1 692 . 1 . 1 88 88 VAL CG1 C 13 22.8888 0.0000 . 2 . . . . A 89 VAL CG1 . 30740 1 693 . 1 . 1 88 88 VAL N N 15 119.4528 0.0000 . 1 . . . . A 89 VAL N . 30740 1 694 . 1 . 1 89 89 PHE H H 1 8.2386 0.0000 . 1 . . . . A 90 PHE H . 30740 1 695 . 1 . 1 89 89 PHE HA H 1 3.9253 0.0000 . 1 . . . . A 90 PHE HA . 30740 1 696 . 1 . 1 89 89 PHE C C 13 175.2380 0.0000 . 1 . . . . A 90 PHE C . 30740 1 697 . 1 . 1 89 89 PHE CA C 13 62.2670 0.0000 . 1 . . . . A 90 PHE CA . 30740 1 698 . 1 . 1 89 89 PHE CB C 13 39.4244 0.0000 . 1 . . . . A 90 PHE CB . 30740 1 699 . 1 . 1 89 89 PHE N N 15 119.8845 0.0000 . 1 . . . . A 90 PHE N . 30740 1 700 . 1 . 1 90 90 ALA H H 1 8.4262 0.0000 . 1 . . . . A 91 ALA H . 30740 1 701 . 1 . 1 90 90 ALA HA H 1 3.7533 0.0000 . 1 . . . . A 91 ALA HA . 30740 1 702 . 1 . 1 90 90 ALA C C 13 175.3865 0.0000 . 1 . . . . A 91 ALA C . 30740 1 703 . 1 . 1 90 90 ALA CA C 13 56.6218 0.0000 . 1 . . . . A 91 ALA CA . 30740 1 704 . 1 . 1 90 90 ALA CB C 13 19.6809 0.0000 . 1 . . . . A 91 ALA CB . 30740 1 705 . 1 . 1 90 90 ALA N N 15 118.6842 0.0000 . 1 . . . . A 91 ALA N . 30740 1 706 . 1 . 1 91 91 VAL H H 1 8.1410 0.0000 . 1 . . . . A 92 VAL H . 30740 1 707 . 1 . 1 91 91 VAL HA H 1 3.7098 0.0000 . 1 . . . . A 92 VAL HA . 30740 1 708 . 1 . 1 91 91 VAL HB H 1 2.1244 0.0000 . 1 . . . . A 92 VAL HB . 30740 1 709 . 1 . 1 91 91 VAL C C 13 173.5304 0.0000 . 1 . . . . A 92 VAL C . 30740 1 710 . 1 . 1 91 91 VAL CA C 13 67.0976 0.0000 . 1 . . . . A 92 VAL CA . 30740 1 711 . 1 . 1 91 91 VAL CB C 13 34.3309 0.0000 . 1 . . . . A 92 VAL CB . 30740 1 712 . 1 . 1 91 91 VAL CG1 C 13 23.5119 0.0000 . 2 . . . . A 92 VAL CG1 . 30740 1 713 . 1 . 1 91 91 VAL N N 15 113.7842 0.0000 . 1 . . . . A 92 VAL N . 30740 1 714 . 1 . 1 92 92 ALA H H 1 8.6169 0.0000 . 1 . . . . A 93 ALA H . 30740 1 715 . 1 . 1 92 92 ALA HA H 1 4.2979 0.0000 . 1 . . . . A 93 ALA HA . 30740 1 716 . 1 . 1 92 92 ALA C C 13 176.5263 0.0000 . 1 . . . . A 93 ALA C . 30740 1 717 . 1 . 1 92 92 ALA CA C 13 53.5543 0.0000 . 1 . . . . A 93 ALA CA . 30740 1 718 . 1 . 1 92 92 ALA CB C 13 19.8650 0.0000 . 1 . . . . A 93 ALA CB . 30740 1 719 . 1 . 1 92 92 ALA N N 15 118.7012 0.0000 . 1 . . . . A 93 ALA N . 30740 1 720 . 1 . 1 93 93 GLY H H 1 6.8836 0.0000 . 1 . . . . A 94 GLY H . 30740 1 721 . 1 . 1 93 93 GLY HA2 H 1 3.7830 0.0000 . 2 . . . . A 94 GLY HA2 . 30740 1 722 . 1 . 1 93 93 GLY HA3 H 1 3.1906 0.0000 . 2 . . . . A 94 GLY HA3 . 30740 1 723 . 1 . 1 93 93 GLY C C 13 172.2483 0.0000 . 1 . . . . A 94 GLY C . 30740 1 724 . 1 . 1 93 93 GLY CA C 13 47.5955 0.0000 . 1 . . . . A 94 GLY CA . 30740 1 725 . 1 . 1 93 93 GLY N N 15 104.2263 0.0000 . 1 . . . . A 94 GLY N . 30740 1 726 . 1 . 1 94 94 LEU H H 1 7.9509 0.0000 . 1 . . . . A 95 LEU H . 30740 1 727 . 1 . 1 94 94 LEU HA H 1 4.1600 0.0000 . 1 . . . . A 95 LEU HA . 30740 1 728 . 1 . 1 94 94 LEU HB2 H 1 1.8397 0.0000 . 2 . . . . A 95 LEU HB2 . 30740 1 729 . 1 . 1 94 94 LEU HB3 H 1 1.5487 0.0000 . 2 . . . . A 95 LEU HB3 . 30740 1 730 . 1 . 1 94 94 LEU HG H 1 1.2033 0.0000 . 1 . . . . A 95 LEU HG . 30740 1 731 . 1 . 1 94 94 LEU C C 13 177.6119 0.0000 . 1 . . . . A 95 LEU C . 30740 1 732 . 1 . 1 94 94 LEU CA C 13 58.1009 0.0000 . 1 . . . . A 95 LEU CA . 30740 1 733 . 1 . 1 94 94 LEU CB C 13 41.2026 0.0000 . 1 . . . . A 95 LEU CB . 30740 1 734 . 1 . 1 94 94 LEU CG C 13 26.1833 0.0000 . 1 . . . . A 95 LEU CG . 30740 1 735 . 1 . 1 94 94 LEU N N 15 121.1741 0.0000 . 1 . . . . A 95 LEU N . 30740 1 736 . 1 . 1 95 95 LEU H H 1 7.8113 0.0000 . 1 . . . . A 96 LEU H . 30740 1 737 . 1 . 1 95 95 LEU HA H 1 4.3400 0.0000 . 1 . . . . A 96 LEU HA . 30740 1 738 . 1 . 1 95 95 LEU HB2 H 1 2.3547 0.0000 . 2 . . . . A 96 LEU HB2 . 30740 1 739 . 1 . 1 95 95 LEU HB3 H 1 1.5743 0.0000 . 2 . . . . A 96 LEU HB3 . 30740 1 740 . 1 . 1 95 95 LEU HG H 1 1.0125 0.0000 . 1 . . . . A 96 LEU HG . 30740 1 741 . 1 . 1 95 95 LEU C C 13 174.9704 0.0000 . 1 . . . . A 96 LEU C . 30740 1 742 . 1 . 1 95 95 LEU CA C 13 55.6801 0.0000 . 1 . . . . A 96 LEU CA . 30740 1 743 . 1 . 1 95 95 LEU CB C 13 42.8540 0.0000 . 1 . . . . A 96 LEU CB . 30740 1 744 . 1 . 1 95 95 LEU CG C 13 27.6344 0.0000 . 1 . . . . A 96 LEU CG . 30740 1 745 . 1 . 1 95 95 LEU N N 15 115.8423 0.0000 . 1 . . . . A 96 LEU N . 30740 1 746 . 1 . 1 96 96 ASN H H 1 6.7383 0.0000 . 1 . . . . A 97 ASN H . 30740 1 747 . 1 . 1 96 96 ASN HA H 1 4.3013 0.0000 . 1 . . . . A 97 ASN HA . 30740 1 748 . 1 . 1 96 96 ASN HB2 H 1 3.2401 0.0000 . 2 . . . . A 97 ASN HB2 . 30740 1 749 . 1 . 1 96 96 ASN HB3 H 1 2.4624 0.0000 . 2 . . . . A 97 ASN HB3 . 30740 1 750 . 1 . 1 96 96 ASN HD21 H 1 6.4803 0.0000 . 2 . . . . A 97 ASN HD21 . 30740 1 751 . 1 . 1 96 96 ASN HD22 H 1 7.3589 0.0000 . 2 . . . . A 97 ASN HD22 . 30740 1 752 . 1 . 1 96 96 ASN C C 13 172.3470 0.0000 . 1 . . . . A 97 ASN C . 30740 1 753 . 1 . 1 96 96 ASN CA C 13 54.5153 0.0000 . 1 . . . . A 97 ASN CA . 30740 1 754 . 1 . 1 96 96 ASN CB C 13 37.8781 0.0000 . 1 . . . . A 97 ASN CB . 30740 1 755 . 1 . 1 96 96 ASN N N 15 112.9666 0.0000 . 1 . . . . A 97 ASN N . 30740 1 756 . 1 . 1 96 96 ASN ND2 N 15 108.2122 0.0000 . 1 . . . . A 97 ASN ND2 . 30740 1 757 . 1 . 1 97 97 MET H H 1 8.2171 0.0000 . 1 . . . . A 98 MET H . 30740 1 758 . 1 . 1 97 97 MET HA H 1 4.3963 0.0000 . 1 . . . . A 98 MET HA . 30740 1 759 . 1 . 1 97 97 MET HB2 H 1 2.5128 0.0000 . 2 . . . . A 98 MET HB2 . 30740 1 760 . 1 . 1 97 97 MET HB3 H 1 1.7983 0.0000 . 2 . . . . A 98 MET HB3 . 30740 1 761 . 1 . 1 97 97 MET C C 13 176.5791 0.0000 . 1 . . . . A 98 MET C . 30740 1 762 . 1 . 1 97 97 MET CA C 13 55.3925 0.0000 . 1 . . . . A 98 MET CA . 30740 1 763 . 1 . 1 97 97 MET CB C 13 32.4509 0.0000 . 1 . . . . A 98 MET CB . 30740 1 764 . 1 . 1 97 97 MET CG C 13 32.9574 0.0000 . 1 . . . . A 98 MET CG . 30740 1 765 . 1 . 1 97 97 MET CE C 13 18.2430 0.0000 . 1 . . . . A 98 MET CE . 30740 1 766 . 1 . 1 97 97 MET N N 15 116.2264 0.0000 . 1 . . . . A 98 MET N . 30740 1 767 . 1 . 1 98 98 THR H H 1 8.5508 0.0000 . 1 . . . . A 99 THR H . 30740 1 768 . 1 . 1 98 98 THR HA H 1 4.7538 0.0000 . 1 . . . . A 99 THR HA . 30740 1 769 . 1 . 1 98 98 THR HB H 1 4.1286 0.0000 . 1 . . . . A 99 THR HB . 30740 1 770 . 1 . 1 98 98 THR C C 13 173.4304 0.0000 . 1 . . . . A 99 THR C . 30740 1 771 . 1 . 1 98 98 THR CA C 13 63.5311 0.0000 . 1 . . . . A 99 THR CA . 30740 1 772 . 1 . 1 98 98 THR CB C 13 69.0973 0.0000 . 1 . . . . A 99 THR CB . 30740 1 773 . 1 . 1 98 98 THR CG2 C 13 22.1114 0.0000 . 1 . . . . A 99 THR CG2 . 30740 1 774 . 1 . 1 98 98 THR N N 15 118.6309 0.0000 . 1 . . . . A 99 THR N . 30740 1 775 . 1 . 1 99 99 VAL H H 1 7.9602 0.0000 . 1 . . . . A 100 VAL H . 30740 1 776 . 1 . 1 99 99 VAL HA H 1 4.2302 0.0000 . 1 . . . . A 100 VAL HA . 30740 1 777 . 1 . 1 99 99 VAL HB H 1 2.1416 0.0000 . 1 . . . . A 100 VAL HB . 30740 1 778 . 1 . 1 99 99 VAL C C 13 173.2878 0.0000 . 1 . . . . A 100 VAL C . 30740 1 779 . 1 . 1 99 99 VAL CA C 13 60.4460 0.0000 . 1 . . . . A 100 VAL CA . 30740 1 780 . 1 . 1 99 99 VAL CB C 13 35.3505 0.0000 . 1 . . . . A 100 VAL CB . 30740 1 781 . 1 . 1 99 99 VAL CG1 C 13 22.2815 0.0000 . 2 . . . . A 100 VAL CG1 . 30740 1 782 . 1 . 1 99 99 VAL N N 15 121.3111 0.0000 . 1 . . . . A 100 VAL N . 30740 1 783 . 1 . 1 100 100 SER H H 1 9.0267 0.0000 . 1 . . . . A 101 SER H . 30740 1 784 . 1 . 1 100 100 SER HA H 1 4.4160 0.0000 . 1 . . . . A 101 SER HA . 30740 1 785 . 1 . 1 100 100 SER C C 13 173.9753 0.0000 . 1 . . . . A 101 SER C . 30740 1 786 . 1 . 1 100 100 SER CA C 13 60.4113 0.0000 . 1 . . . . A 101 SER CA . 30740 1 787 . 1 . 1 100 100 SER CB C 13 64.9352 0.0000 . 1 . . . . A 101 SER CB . 30740 1 788 . 1 . 1 100 100 SER N N 15 115.9556 0.0000 . 1 . . . . A 101 SER N . 30740 1 789 . 1 . 1 101 101 THR H H 1 7.2644 0.0000 . 1 . . . . A 102 THR H . 30740 1 790 . 1 . 1 101 101 THR HA H 1 5.5295 0.0000 . 1 . . . . A 102 THR HA . 30740 1 791 . 1 . 1 101 101 THR HB H 1 4.6247 0.0000 . 1 . . . . A 102 THR HB . 30740 1 792 . 1 . 1 101 101 THR C C 13 172.7536 0.0000 . 1 . . . . A 102 THR C . 30740 1 793 . 1 . 1 101 101 THR CA C 13 60.1328 0.0000 . 1 . . . . A 102 THR CA . 30740 1 794 . 1 . 1 101 101 THR CB C 13 74.2489 0.0000 . 1 . . . . A 102 THR CB . 30740 1 795 . 1 . 1 101 101 THR CG2 C 13 22.3924 0.0000 . 1 . . . . A 102 THR CG2 . 30740 1 796 . 1 . 1 101 101 THR N N 15 109.6021 0.0000 . 1 . . . . A 102 THR N . 30740 1 797 . 1 . 1 102 102 ALA H H 1 8.4204 0.0000 . 1 . . . . A 103 ALA H . 30740 1 798 . 1 . 1 102 102 ALA HA H 1 4.0408 0.0000 . 1 . . . . A 103 ALA HA . 30740 1 799 . 1 . 1 102 102 ALA C C 13 176.6709 0.0000 . 1 . . . . A 103 ALA C . 30740 1 800 . 1 . 1 102 102 ALA CA C 13 55.7062 0.0000 . 1 . . . . A 103 ALA CA . 30740 1 801 . 1 . 1 102 102 ALA CB C 13 19.1386 0.0000 . 1 . . . . A 103 ALA CB . 30740 1 802 . 1 . 1 102 102 ALA N N 15 123.6338 0.0000 . 1 . . . . A 103 ALA N . 30740 1 803 . 1 . 1 103 103 ALA H H 1 8.4927 0.0000 . 1 . . . . A 104 ALA H . 30740 1 804 . 1 . 1 103 103 ALA HA H 1 4.2388 0.0000 . 1 . . . . A 104 ALA HA . 30740 1 805 . 1 . 1 103 103 ALA C C 13 178.6528 0.0000 . 1 . . . . A 104 ALA C . 30740 1 806 . 1 . 1 103 103 ALA CA C 13 55.5534 0.0000 . 1 . . . . A 104 ALA CA . 30740 1 807 . 1 . 1 103 103 ALA CB C 13 18.9030 0.0000 . 1 . . . . A 104 ALA CB . 30740 1 808 . 1 . 1 103 103 ALA N N 15 119.4236 0.0000 . 1 . . . . A 104 ALA N . 30740 1 809 . 1 . 1 104 104 ALA H H 1 8.0637 0.0000 . 1 . . . . A 105 ALA H . 30740 1 810 . 1 . 1 104 104 ALA HA H 1 4.3351 0.0000 . 1 . . . . A 105 ALA HA . 30740 1 811 . 1 . 1 104 104 ALA C C 13 179.0599 0.0000 . 1 . . . . A 105 ALA C . 30740 1 812 . 1 . 1 104 104 ALA CA C 13 55.4147 0.0000 . 1 . . . . A 105 ALA CA . 30740 1 813 . 1 . 1 104 104 ALA CB C 13 19.0326 0.0000 . 1 . . . . A 105 ALA CB . 30740 1 814 . 1 . 1 104 104 ALA N N 15 120.7565 0.0000 . 1 . . . . A 105 ALA N . 30740 1 815 . 1 . 1 105 105 ALA H H 1 8.0740 0.0000 . 1 . . . . A 106 ALA H . 30740 1 816 . 1 . 1 105 105 ALA HA H 1 4.1493 0.0000 . 1 . . . . A 106 ALA HA . 30740 1 817 . 1 . 1 105 105 ALA C C 13 176.7615 0.0000 . 1 . . . . A 106 ALA C . 30740 1 818 . 1 . 1 105 105 ALA CA C 13 56.3700 0.0000 . 1 . . . . A 106 ALA CA . 30740 1 819 . 1 . 1 105 105 ALA CB C 13 19.5490 0.0000 . 1 . . . . A 106 ALA CB . 30740 1 820 . 1 . 1 105 105 ALA N N 15 121.3070 0.0000 . 1 . . . . A 106 ALA N . 30740 1 821 . 1 . 1 106 106 GLU H H 1 8.7347 0.0000 . 1 . . . . A 107 GLU H . 30740 1 822 . 1 . 1 106 106 GLU HA H 1 3.7928 0.0000 . 1 . . . . A 107 GLU HA . 30740 1 823 . 1 . 1 106 106 GLU C C 13 176.9624 0.0000 . 1 . . . . A 107 GLU C . 30740 1 824 . 1 . 1 106 106 GLU CA C 13 61.1910 0.0000 . 1 . . . . A 107 GLU CA . 30740 1 825 . 1 . 1 106 106 GLU CB C 13 30.4413 0.0000 . 1 . . . . A 107 GLU CB . 30740 1 826 . 1 . 1 106 106 GLU CG C 13 37.6639 0.0000 . 1 . . . . A 107 GLU CG . 30740 1 827 . 1 . 1 106 106 GLU N N 15 118.1648 0.0000 . 1 . . . . A 107 GLU N . 30740 1 828 . 1 . 1 107 107 ASN H H 1 8.1035 0.0000 . 1 . . . . A 108 ASN H . 30740 1 829 . 1 . 1 107 107 ASN HA H 1 4.3287 0.0000 . 1 . . . . A 108 ASN HA . 30740 1 830 . 1 . 1 107 107 ASN HD21 H 1 6.9864 0.0000 . 2 . . . . A 108 ASN HD21 . 30740 1 831 . 1 . 1 107 107 ASN HD22 H 1 7.7199 0.0000 . 2 . . . . A 108 ASN HD22 . 30740 1 832 . 1 . 1 107 107 ASN C C 13 177.5881 0.0000 . 1 . . . . A 108 ASN C . 30740 1 833 . 1 . 1 107 107 ASN CA C 13 57.0756 0.0000 . 1 . . . . A 108 ASN CA . 30740 1 834 . 1 . 1 107 107 ASN CB C 13 39.2335 0.0000 . 1 . . . . A 108 ASN CB . 30740 1 835 . 1 . 1 107 107 ASN N N 15 118.1087 0.0000 . 1 . . . . A 108 ASN N . 30740 1 836 . 1 . 1 107 107 ASN ND2 N 15 112.3429 0.0000 . 1 . . . . A 108 ASN ND2 . 30740 1 837 . 1 . 1 108 108 MET H H 1 8.4595 0.0000 . 1 . . . . A 109 MET H . 30740 1 838 . 1 . 1 108 108 MET HA H 1 4.2292 0.0000 . 1 . . . . A 109 MET HA . 30740 1 839 . 1 . 1 108 108 MET C C 13 174.9955 0.0000 . 1 . . . . A 109 MET C . 30740 1 840 . 1 . 1 108 108 MET CA C 13 59.1871 0.0000 . 1 . . . . A 109 MET CA . 30740 1 841 . 1 . 1 108 108 MET CB C 13 39.3968 0.0000 . 1 . . . . A 109 MET CB . 30740 1 842 . 1 . 1 108 108 MET CG C 13 32.9980 0.0000 . 1 . . . . A 109 MET CG . 30740 1 843 . 1 . 1 108 108 MET CE C 13 17.7982 0.0000 . 1 . . . . A 109 MET CE . 30740 1 844 . 1 . 1 108 108 MET N N 15 120.2074 0.0000 . 1 . . . . A 109 MET N . 30740 1 845 . 1 . 1 109 109 TYR H H 1 8.6582 0.0000 . 1 . . . . A 110 TYR H . 30740 1 846 . 1 . 1 109 109 TYR HA H 1 3.6322 0.0000 . 1 . . . . A 110 TYR HA . 30740 1 847 . 1 . 1 109 109 TYR HB2 H 1 3.4040 0.0000 . 2 . . . . A 110 TYR HB2 . 30740 1 848 . 1 . 1 109 109 TYR HB3 H 1 3.0384 0.0000 . 2 . . . . A 110 TYR HB3 . 30740 1 849 . 1 . 1 109 109 TYR C C 13 174.8076 0.0000 . 1 . . . . A 110 TYR C . 30740 1 850 . 1 . 1 109 109 TYR CA C 13 63.2137 0.0000 . 1 . . . . A 110 TYR CA . 30740 1 851 . 1 . 1 109 109 TYR CB C 13 39.5567 0.0000 . 1 . . . . A 110 TYR CB . 30740 1 852 . 1 . 1 109 109 TYR N N 15 120.4384 0.0000 . 1 . . . . A 110 TYR N . 30740 1 853 . 1 . 1 110 110 SER H H 1 7.4760 0.0000 . 1 . . . . A 111 SER H . 30740 1 854 . 1 . 1 110 110 SER HA H 1 4.1288 0.0000 . 1 . . . . A 111 SER HA . 30740 1 855 . 1 . 1 110 110 SER C C 13 177.2047 0.0000 . 1 . . . . A 111 SER C . 30740 1 856 . 1 . 1 110 110 SER CA C 13 61.9095 0.0000 . 1 . . . . A 111 SER CA . 30740 1 857 . 1 . 1 110 110 SER CB C 13 63.9571 0.0000 . 1 . . . . A 111 SER CB . 30740 1 858 . 1 . 1 110 110 SER N N 15 110.4464 0.0000 . 1 . . . . A 111 SER N . 30740 1 859 . 1 . 1 111 111 GLN H H 1 8.8393 0.0000 . 1 . . . . A 112 GLN H . 30740 1 860 . 1 . 1 111 111 GLN HA H 1 4.1918 0.0000 . 1 . . . . A 112 GLN HA . 30740 1 861 . 1 . 1 111 111 GLN HE21 H 1 6.7901 0.0000 . 2 . . . . A 112 GLN HE21 . 30740 1 862 . 1 . 1 111 111 GLN HE22 H 1 7.4974 0.0000 . 2 . . . . A 112 GLN HE22 . 30740 1 863 . 1 . 1 111 111 GLN C C 13 176.4358 0.0000 . 1 . . . . A 112 GLN C . 30740 1 864 . 1 . 1 111 111 GLN CA C 13 60.0463 0.0000 . 1 . . . . A 112 GLN CA . 30740 1 865 . 1 . 1 111 111 GLN CB C 13 29.0010 0.0000 . 1 . . . . A 112 GLN CB . 30740 1 866 . 1 . 1 111 111 GLN CG C 13 34.5271 0.0000 . 1 . . . . A 112 GLN CG . 30740 1 867 . 1 . 1 111 111 GLN N N 15 125.2119 0.0000 . 1 . . . . A 112 GLN N . 30740 1 868 . 1 . 1 111 111 GLN NE2 N 15 111.2123 0.0000 . 1 . . . . A 112 GLN NE2 . 30740 1 869 . 1 . 1 112 112 MET H H 1 8.0910 0.0000 . 1 . . . . A 113 MET H . 30740 1 870 . 1 . 1 112 112 MET HA H 1 4.2770 0.0000 . 1 . . . . A 113 MET HA . 30740 1 871 . 1 . 1 112 112 MET C C 13 173.9572 0.0000 . 1 . . . . A 113 MET C . 30740 1 872 . 1 . 1 112 112 MET CA C 13 57.1288 0.0000 . 1 . . . . A 113 MET CA . 30740 1 873 . 1 . 1 112 112 MET CB C 13 34.5381 0.0000 . 1 . . . . A 113 MET CB . 30740 1 874 . 1 . 1 112 112 MET CG C 13 33.4589 0.0000 . 1 . . . . A 113 MET CG . 30740 1 875 . 1 . 1 112 112 MET CE C 13 17.8014 0.0000 . 1 . . . . A 113 MET CE . 30740 1 876 . 1 . 1 112 112 MET N N 15 114.6621 0.0000 . 1 . . . . A 113 MET N . 30740 1 877 . 1 . 1 113 113 GLY H H 1 8.0220 0.0000 . 1 . . . . A 114 GLY H . 30740 1 878 . 1 . 1 113 113 GLY C C 13 173.9753 0.0000 . 1 . . . . A 114 GLY C . 30740 1 879 . 1 . 1 113 113 GLY CA C 13 46.6347 0.0000 . 1 . . . . A 114 GLY CA . 30740 1 880 . 1 . 1 113 113 GLY N N 15 107.4225 0.0000 . 1 . . . . A 114 GLY N . 30740 1 881 . 1 . 1 114 114 LEU H H 1 7.4557 0.0000 . 1 . . . . A 115 LEU H . 30740 1 882 . 1 . 1 114 114 LEU HA H 1 4.0069 0.0000 . 1 . . . . A 115 LEU HA . 30740 1 883 . 1 . 1 114 114 LEU HB2 H 1 0.5524 0.0000 . 2 . . . . A 115 LEU HB2 . 30740 1 884 . 1 . 1 114 114 LEU HG H 1 1.2831 0.0000 . 1 . . . . A 115 LEU HG . 30740 1 885 . 1 . 1 114 114 LEU C C 13 175.2780 0.0000 . 1 . . . . A 115 LEU C . 30740 1 886 . 1 . 1 114 114 LEU CA C 13 56.0460 0.0000 . 1 . . . . A 115 LEU CA . 30740 1 887 . 1 . 1 114 114 LEU CB C 13 39.1098 0.0000 . 1 . . . . A 115 LEU CB . 30740 1 888 . 1 . 1 114 114 LEU CG C 13 26.2526 0.0000 . 1 . . . . A 115 LEU CG . 30740 1 889 . 1 . 1 114 114 LEU CD1 C 13 25.7674 0.0000 . 2 . . . . A 115 LEU CD1 . 30740 1 890 . 1 . 1 114 114 LEU N N 15 114.6115 0.0000 . 1 . . . . A 115 LEU N . 30740 1 891 . 1 . 1 115 115 ASP H H 1 8.4992 0.0000 . 1 . . . . A 116 ASP H . 30740 1 892 . 1 . 1 115 115 ASP C C 13 173.8487 0.0000 . 1 . . . . A 116 ASP C . 30740 1 893 . 1 . 1 115 115 ASP CA C 13 55.7397 0.0000 . 1 . . . . A 116 ASP CA . 30740 1 894 . 1 . 1 115 115 ASP CB C 13 40.8149 0.0000 . 1 . . . . A 116 ASP CB . 30740 1 895 . 1 . 1 115 115 ASP N N 15 116.7401 0.0000 . 1 . . . . A 116 ASP N . 30740 1 896 . 1 . 1 116 116 THR H H 1 7.3524 0.0000 . 1 . . . . A 117 THR H . 30740 1 897 . 1 . 1 116 116 THR HA H 1 4.2810 0.0000 . 1 . . . . A 117 THR HA . 30740 1 898 . 1 . 1 116 116 THR HB H 1 4.0809 0.0000 . 1 . . . . A 117 THR HB . 30740 1 899 . 1 . 1 116 116 THR C C 13 171.7218 0.0000 . 1 . . . . A 117 THR C . 30740 1 900 . 1 . 1 116 116 THR CA C 13 62.1193 0.0000 . 1 . . . . A 117 THR CA . 30740 1 901 . 1 . 1 116 116 THR CB C 13 70.9240 0.0000 . 1 . . . . A 117 THR CB . 30740 1 902 . 1 . 1 116 116 THR CG2 C 13 22.0502 0.0000 . 1 . . . . A 117 THR CG2 . 30740 1 903 . 1 . 1 116 116 THR N N 15 112.0079 0.0000 . 1 . . . . A 117 THR N . 30740 1 904 . 1 . 1 117 117 ARG H H 1 8.6935 0.0000 . 1 . . . . A 118 ARG H . 30740 1 905 . 1 . 1 117 117 ARG C C 13 175.0627 0.0000 . 1 . . . . A 118 ARG C . 30740 1 906 . 1 . 1 117 117 ARG CA C 13 55.7716 0.0000 . 1 . . . . A 118 ARG CA . 30740 1 907 . 1 . 1 117 117 ARG CB C 13 30.6252 0.0000 . 1 . . . . A 118 ARG CB . 30740 1 908 . 1 . 1 117 117 ARG CG C 13 25.4615 0.0000 . 1 . . . . A 118 ARG CG . 30740 1 909 . 1 . 1 117 117 ARG CD C 13 42.4405 0.0000 . 1 . . . . A 118 ARG CD . 30740 1 910 . 1 . 1 117 117 ARG N N 15 125.2351 0.0000 . 1 . . . . A 118 ARG N . 30740 1 stop_ save_