data_30739 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30739 _Entry.Title ; Solution NMR structure of the 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 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30739 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. . . 30739 2 H. Summers H. R. . . 30739 3 L. Brown L. A. . . 30739 4 J. Marchant J. . . . 30739 5 P. Canova P. N. . . 30739 6 C. O'Hern C. T. . . 30739 7 S. Abbott S. T. . . 30739 8 C. Nyaunu C. . . . 30739 9 S. Maxwell S. . . . 30739 10 T. Johnson T. . . . 30739 11 M. Moser M. B. . . 30739 12 H. Carter H. . . . 30739 13 S. Ablan S. . . . 30739 14 E. Freed E. O. . . 30739 15 M. Summers M. F. . . 30739 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FIV . 30739 'VIRAL PROTEIN' . 30739 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30739 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 30739 '15N chemical shifts' 124 30739 '1H chemical shifts' 611 30739 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-09-29 2020-03-24 update BMRB 'update entry citation' 30739 1 . . 2020-07-20 2020-03-24 original author 'original release' 30739 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6WA4 . 30739 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30739 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32442659 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and Mechanistic Studies of the Rare Myristoylation Signal of the Feline Immunodeficiency Virus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 432 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 4076 _Citation.Page_last 4091 _Citation.Year 2020 _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. . . 30739 1 2 H. Summers H. R. . . 30739 1 3 L. Brown L. A. . . 30739 1 4 J. Marchant J. . . . 30739 1 5 P. Canova P. N. . . 30739 1 6 C. O'Hern C. T. . . 30739 1 7 S. Abbott S. T. . . 30739 1 8 C. Nyaunu C. . . . 30739 1 9 S. Maxwell S. . . . 30739 1 10 T. Johnson T. . . . 30739 1 11 M. Moser M. B. . . 30739 1 12 H. Carter H. . . . 30739 1 13 S. Ablan S. . . . 30739 1 14 E. Freed E. O. . . 30739 1 15 M. Summers M. F. . . 30739 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30739 _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 . . . . . . 30739 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30739 _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 ; GNGQGRDWKMAIKRCSNVAV 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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13988.002 _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 30739 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 . 30739 1 2 3 ASN . 30739 1 3 4 GLY . 30739 1 4 5 GLN . 30739 1 5 6 GLY . 30739 1 6 7 ARG . 30739 1 7 8 ASP . 30739 1 8 9 TRP . 30739 1 9 10 LYS . 30739 1 10 11 MET . 30739 1 11 12 ALA . 30739 1 12 13 ILE . 30739 1 13 14 LYS . 30739 1 14 15 ARG . 30739 1 15 16 CYS . 30739 1 16 17 SER . 30739 1 17 18 ASN . 30739 1 18 19 VAL . 30739 1 19 20 ALA . 30739 1 20 21 VAL . 30739 1 21 22 GLY . 30739 1 22 23 VAL . 30739 1 23 24 GLY . 30739 1 24 25 GLY . 30739 1 25 26 LYS . 30739 1 26 27 SER . 30739 1 27 28 LYS . 30739 1 28 29 LYS . 30739 1 29 30 PHE . 30739 1 30 31 GLY . 30739 1 31 32 GLU . 30739 1 32 33 GLY . 30739 1 33 34 ASN . 30739 1 34 35 PHE . 30739 1 35 36 ARG . 30739 1 36 37 TRP . 30739 1 37 38 ALA . 30739 1 38 39 ILE . 30739 1 39 40 ARG . 30739 1 40 41 MET . 30739 1 41 42 ALA . 30739 1 42 43 ASN . 30739 1 43 44 VAL . 30739 1 44 45 SER . 30739 1 45 46 THR . 30739 1 46 47 GLY . 30739 1 47 48 ARG . 30739 1 48 49 GLU . 30739 1 49 50 PRO . 30739 1 50 51 GLY . 30739 1 51 52 ASP . 30739 1 52 53 ILE . 30739 1 53 54 PRO . 30739 1 54 55 GLU . 30739 1 55 56 THR . 30739 1 56 57 LEU . 30739 1 57 58 ASP . 30739 1 58 59 GLN . 30739 1 59 60 LEU . 30739 1 60 61 ARG . 30739 1 61 62 LEU . 30739 1 62 63 VAL . 30739 1 63 64 ILE . 30739 1 64 65 CYS . 30739 1 65 66 ASP . 30739 1 66 67 LEU . 30739 1 67 68 GLN . 30739 1 68 69 GLU . 30739 1 69 70 ARG . 30739 1 70 71 ARG . 30739 1 71 72 GLU . 30739 1 72 73 LYS . 30739 1 73 74 PHE . 30739 1 74 75 GLY . 30739 1 75 76 SER . 30739 1 76 77 SER . 30739 1 77 78 LYS . 30739 1 78 79 GLU . 30739 1 79 80 ILE . 30739 1 80 81 ASP . 30739 1 81 82 MET . 30739 1 82 83 ALA . 30739 1 83 84 ILE . 30739 1 84 85 VAL . 30739 1 85 86 THR . 30739 1 86 87 LEU . 30739 1 87 88 LYS . 30739 1 88 89 VAL . 30739 1 89 90 PHE . 30739 1 90 91 ALA . 30739 1 91 92 VAL . 30739 1 92 93 ALA . 30739 1 93 94 GLY . 30739 1 94 95 LEU . 30739 1 95 96 LEU . 30739 1 96 97 ASN . 30739 1 97 98 MET . 30739 1 98 99 THR . 30739 1 99 100 VAL . 30739 1 100 101 SER . 30739 1 101 102 THR . 30739 1 102 103 ALA . 30739 1 103 104 ALA . 30739 1 104 105 ALA . 30739 1 105 106 ALA . 30739 1 106 107 GLU . 30739 1 107 108 ASN . 30739 1 108 109 MET . 30739 1 109 110 TYR . 30739 1 110 111 SER . 30739 1 111 112 GLN . 30739 1 112 113 MET . 30739 1 113 114 GLY . 30739 1 114 115 LEU . 30739 1 115 116 ASP . 30739 1 116 117 THR . 30739 1 117 118 ARG . 30739 1 118 119 PRO . 30739 1 119 120 HIS . 30739 1 120 121 HIS . 30739 1 121 122 HIS . 30739 1 122 123 HIS . 30739 1 123 124 HIS . 30739 1 124 125 HIS . 30739 1 125 126 HIS . 30739 1 126 127 HIS . 30739 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 30739 1 . ASN 2 2 30739 1 . GLY 3 3 30739 1 . GLN 4 4 30739 1 . GLY 5 5 30739 1 . ARG 6 6 30739 1 . ASP 7 7 30739 1 . TRP 8 8 30739 1 . LYS 9 9 30739 1 . MET 10 10 30739 1 . ALA 11 11 30739 1 . ILE 12 12 30739 1 . LYS 13 13 30739 1 . ARG 14 14 30739 1 . CYS 15 15 30739 1 . SER 16 16 30739 1 . ASN 17 17 30739 1 . VAL 18 18 30739 1 . ALA 19 19 30739 1 . VAL 20 20 30739 1 . GLY 21 21 30739 1 . VAL 22 22 30739 1 . GLY 23 23 30739 1 . GLY 24 24 30739 1 . LYS 25 25 30739 1 . SER 26 26 30739 1 . LYS 27 27 30739 1 . LYS 28 28 30739 1 . PHE 29 29 30739 1 . GLY 30 30 30739 1 . GLU 31 31 30739 1 . GLY 32 32 30739 1 . ASN 33 33 30739 1 . PHE 34 34 30739 1 . ARG 35 35 30739 1 . TRP 36 36 30739 1 . ALA 37 37 30739 1 . ILE 38 38 30739 1 . ARG 39 39 30739 1 . MET 40 40 30739 1 . ALA 41 41 30739 1 . ASN 42 42 30739 1 . VAL 43 43 30739 1 . SER 44 44 30739 1 . THR 45 45 30739 1 . GLY 46 46 30739 1 . ARG 47 47 30739 1 . GLU 48 48 30739 1 . PRO 49 49 30739 1 . GLY 50 50 30739 1 . ASP 51 51 30739 1 . ILE 52 52 30739 1 . PRO 53 53 30739 1 . GLU 54 54 30739 1 . THR 55 55 30739 1 . LEU 56 56 30739 1 . ASP 57 57 30739 1 . GLN 58 58 30739 1 . LEU 59 59 30739 1 . ARG 60 60 30739 1 . LEU 61 61 30739 1 . VAL 62 62 30739 1 . ILE 63 63 30739 1 . CYS 64 64 30739 1 . ASP 65 65 30739 1 . LEU 66 66 30739 1 . GLN 67 67 30739 1 . GLU 68 68 30739 1 . ARG 69 69 30739 1 . ARG 70 70 30739 1 . GLU 71 71 30739 1 . LYS 72 72 30739 1 . PHE 73 73 30739 1 . GLY 74 74 30739 1 . SER 75 75 30739 1 . SER 76 76 30739 1 . LYS 77 77 30739 1 . GLU 78 78 30739 1 . ILE 79 79 30739 1 . ASP 80 80 30739 1 . MET 81 81 30739 1 . ALA 82 82 30739 1 . ILE 83 83 30739 1 . VAL 84 84 30739 1 . THR 85 85 30739 1 . LEU 86 86 30739 1 . LYS 87 87 30739 1 . VAL 88 88 30739 1 . PHE 89 89 30739 1 . ALA 90 90 30739 1 . VAL 91 91 30739 1 . ALA 92 92 30739 1 . GLY 93 93 30739 1 . LEU 94 94 30739 1 . LEU 95 95 30739 1 . ASN 96 96 30739 1 . MET 97 97 30739 1 . THR 98 98 30739 1 . VAL 99 99 30739 1 . SER 100 100 30739 1 . THR 101 101 30739 1 . ALA 102 102 30739 1 . ALA 103 103 30739 1 . ALA 104 104 30739 1 . ALA 105 105 30739 1 . GLU 106 106 30739 1 . ASN 107 107 30739 1 . MET 108 108 30739 1 . TYR 109 109 30739 1 . SER 110 110 30739 1 . GLN 111 111 30739 1 . MET 112 112 30739 1 . GLY 113 113 30739 1 . LEU 114 114 30739 1 . ASP 115 115 30739 1 . THR 116 116 30739 1 . ARG 117 117 30739 1 . PRO 118 118 30739 1 . HIS 119 119 30739 1 . HIS 120 120 30739 1 . HIS 121 121 30739 1 . HIS 122 122 30739 1 . HIS 123 123 30739 1 . HIS 124 124 30739 1 . HIS 125 125 30739 1 . HIS 126 126 30739 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 30739 _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 . 30739 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 30739 _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 . . . . . . . . . . 30739 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30739 _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 glucose, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-15N] Unmyristoylated 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 . . . . 30739 1 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30739 1 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30739 1 4 glucose 'natural abundance' . . . . . . 4 . . g/L . . . . 30739 1 5 'ammonium chloride' '[U-99% 15N]' . . . . . . 1 . . g/L . . . . 30739 1 6 'Unmyristoylated Feline Immunodeficiency Virus Matrix Protein' [U-15N] . . 1 $entity_1 . . 300 . . uM . . . . 30739 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30739 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 10 mM [U-98% 2H] DTT, 5 mM sodium chloride, 300 uM Unmyristoylated 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 . . . . 30739 2 2 DTT '[U-98% 2H]' . . . . . . 10 . . mM . . . . 30739 2 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30739 2 4 'Unmyristoylated Feline Immunodeficiency Virus Matrix Protein' 'natural abundance' . . 1 $entity_1 . . 300 . . uM . . . . 30739 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30739 _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 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 . . . . 30739 3 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30739 3 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30739 3 4 glucose '[U-99% 13C]' . . . . . . 4 . . g/L . . . . 30739 3 5 'ammonium chloride' '[U-99% 15N]' . . . . . . 1 . . g/L . . . . 30739 3 6 'Unmyristoylated Feline Immunodeficiency Virus Matrix Protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30739 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30739 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 10 mM [U-98% 2H] DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L ammonium chloride, 300 uM [U-13C] Unmyristoylated 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 . . . . 30739 4 2 DTT '[U-98% 2H]' . . . . . . 10 . . mM . . . . 30739 4 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30739 4 4 glucose '[U-99% 13C]' . . . . . . 4 . . g/L . . . . 30739 4 5 'ammonium chloride' 'natural abundance' . . . . . . 1 . . g/L . . . . 30739 4 6 'Unmyristoylated Feline Immunodeficiency Virus Matrix Protein' [U-13C] . . 1 $entity_1 . . 300 . . uM . . . . 30739 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 30739 _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 30739 1 pH 8 . pH 30739 1 pressure 1 . atm 30739 1 temperature 298 . K 30739 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 30739 _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 30739 2 pH 8 . pD 30739 2 pressure 1 . atm 30739 2 temperature 298 . K 30739 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 30739 _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 30739 3 pH 5 . pH 30739 3 pressure 1 . atm 30739 3 temperature 298 . K 30739 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 30739 _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 30739 4 pH 5 . pD 30739 4 pressure 1 . atm 30739 4 temperature 298 . K 30739 4 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30739 _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' . . 30739 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30739 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30739 _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' . . 30739 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30739 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30739 _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' . . 30739 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30739 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30739 _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' . . 30739 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30739 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30739 _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' . . 30739 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30739 5 'data analysis' . 30739 5 'peak picking' . 30739 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30739 _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' . . 30739 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30739 6 'structure calculation' . 30739 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 30739 _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 30739 _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 30739 _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 . . . 30739 1 2 NMR_spectrometer_2 Bruker DMX . 500 . . . 30739 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 30739 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 6 '3D HNCO' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 7 '3D HNCO' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 8 '3D HNCACB' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 9 '3D HNCACB' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30739 1 12 '2D 1H-13 HMQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 13 '4D HMQC-NOESY-HMQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 14 '4D HSQC-NOESY-HMQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30739 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 17 '3D HN(CA)CO' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 1 18 '3D HN(CA)CO' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30739 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 30739 _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 . . . . . 30739 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 30739 1 N 15 urea nitrogen . . . . ppm 0 external indirect 1.0 . . . . . 30739 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 30739 _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' . . . 30739 1 2 '2D 1H-1H NOESY' . . . 30739 1 3 '2D 1H-15N HSQC' . . . 30739 1 4 '2D 1H-15N HSQC' . . . 30739 1 5 '3D CBCA(CO)NH' . . . 30739 1 6 '3D HNCO' . . . 30739 1 7 '3D HNCO' . . . 30739 1 8 '3D HNCACB' . . . 30739 1 9 '3D HNCACB' . . . 30739 1 10 '3D CBCA(CO)NH' . . . 30739 1 11 '2D 1H-15N HSQC' . . . 30739 1 12 '2D 1H-13 HMQC' . . . 30739 1 13 '4D HMQC-NOESY-HMQC' . . . 30739 1 14 '4D HSQC-NOESY-HMQC' . . . 30739 1 15 '3D 1H-15N NOESY' . . . 30739 1 16 '3D 1H-15N NOESY' . . . 30739 1 17 '3D HN(CA)CO' . . . 30739 1 18 '3D HN(CA)CO' . . . 30739 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 HA2 H 1 3.8867 0.0000 . 2 . . . . A 2 GLY HA2 . 30739 1 2 . 1 . 1 1 1 GLY C C 13 170.3992 0.0000 . 1 . . . . A 2 GLY C . 30739 1 3 . 1 . 1 1 1 GLY CA C 13 45.6882 0.0000 . 1 . . . . A 2 GLY CA . 30739 1 4 . 1 . 1 2 2 ASN H H 1 8.8140 0.0000 . 1 . . . . A 3 ASN H . 30739 1 5 . 1 . 1 2 2 ASN HA H 1 4.4190 0.0000 . 1 . . . . A 3 ASN HA . 30739 1 6 . 1 . 1 2 2 ASN HB2 H 1 2.9830 0.0000 . 2 . . . . A 3 ASN HB2 . 30739 1 7 . 1 . 1 2 2 ASN C C 13 176.1201 0.0000 . 1 . . . . A 3 ASN C . 30739 1 8 . 1 . 1 2 2 ASN CA C 13 54.5721 0.0000 . 1 . . . . A 3 ASN CA . 30739 1 9 . 1 . 1 2 2 ASN CB C 13 40.7970 0.0000 . 1 . . . . A 3 ASN CB . 30739 1 10 . 1 . 1 2 2 ASN N N 15 118.2965 0.0000 . 1 . . . . A 3 ASN N . 30739 1 11 . 1 . 1 3 3 GLY H H 1 8.0623 0.0000 . 1 . . . . A 4 GLY H . 30739 1 12 . 1 . 1 3 3 GLY HA2 H 1 4.0259 0.0000 . 2 . . . . A 4 GLY HA2 . 30739 1 13 . 1 . 1 3 3 GLY C C 13 173.7700 0.0000 . 1 . . . . A 4 GLY C . 30739 1 14 . 1 . 1 3 3 GLY CA C 13 47.4006 0.0000 . 1 . . . . A 4 GLY CA . 30739 1 15 . 1 . 1 3 3 GLY N N 15 110.9324 0.0000 . 1 . . . . A 4 GLY N . 30739 1 16 . 1 . 1 4 4 GLN H H 1 8.0834 0.0000 . 1 . . . . A 5 GLN H . 30739 1 17 . 1 . 1 4 4 GLN HA H 1 4.4144 0.0000 . 1 . . . . A 5 GLN HA . 30739 1 18 . 1 . 1 4 4 GLN HB2 H 1 2.1978 0.0000 . 2 . . . . A 5 GLN HB2 . 30739 1 19 . 1 . 1 4 4 GLN HB3 H 1 1.8664 0.0000 . 2 . . . . A 5 GLN HB3 . 30739 1 20 . 1 . 1 4 4 GLN HG2 H 1 2.4377 0.0000 . 2 . . . . A 5 GLN HG2 . 30739 1 21 . 1 . 1 4 4 GLN HG3 H 1 2.0150 0.0000 . 2 . . . . A 5 GLN HG3 . 30739 1 22 . 1 . 1 4 4 GLN HE21 H 1 6.8000 0.0000 . 2 . . . . A 5 GLN HE21 . 30739 1 23 . 1 . 1 4 4 GLN HE22 H 1 7.4426 0.0000 . 2 . . . . A 5 GLN HE22 . 30739 1 24 . 1 . 1 4 4 GLN C C 13 176.5470 0.0000 . 1 . . . . A 5 GLN C . 30739 1 25 . 1 . 1 4 4 GLN CA C 13 56.8080 0.0000 . 1 . . . . A 5 GLN CA . 30739 1 26 . 1 . 1 4 4 GLN CB C 13 30.0889 0.0000 . 1 . . . . A 5 GLN CB . 30739 1 27 . 1 . 1 4 4 GLN CG C 13 33.1164 0.0000 . 1 . . . . A 5 GLN CG . 30739 1 28 . 1 . 1 4 4 GLN N N 15 117.8191 0.0000 . 1 . . . . A 5 GLN N . 30739 1 29 . 1 . 1 4 4 GLN NE2 N 15 112.1156 0.0000 . 1 . . . . A 5 GLN NE2 . 30739 1 30 . 1 . 1 5 5 GLY H H 1 8.6206 0.0000 . 1 . . . . A 6 GLY H . 30739 1 31 . 1 . 1 5 5 GLY HA2 H 1 4.2201 0.0000 . 2 . . . . A 6 GLY HA2 . 30739 1 32 . 1 . 1 5 5 GLY C C 13 174.5340 0.0000 . 1 . . . . A 6 GLY C . 30739 1 33 . 1 . 1 5 5 GLY CA C 13 45.9971 0.0000 . 1 . . . . A 6 GLY CA . 30739 1 34 . 1 . 1 5 5 GLY N N 15 109.6096 0.0000 . 1 . . . . A 6 GLY N . 30739 1 35 . 1 . 1 6 6 ARG H H 1 8.4642 0.0000 . 1 . . . . A 7 ARG H . 30739 1 36 . 1 . 1 6 6 ARG HA H 1 4.1863 0.0000 . 1 . . . . A 7 ARG HA . 30739 1 37 . 1 . 1 6 6 ARG HB2 H 1 2.1391 0.0000 . 2 . . . . A 7 ARG HB2 . 30739 1 38 . 1 . 1 6 6 ARG HB3 H 1 2.0667 0.0000 . 2 . . . . A 7 ARG HB3 . 30739 1 39 . 1 . 1 6 6 ARG HG3 H 1 1.8174 0.0000 . 2 . . . . A 7 ARG HG3 . 30739 1 40 . 1 . 1 6 6 ARG HD2 H 1 3.4201 0.0000 . 2 . . . . A 7 ARG HD2 . 30739 1 41 . 1 . 1 6 6 ARG C C 13 177.5363 0.0000 . 1 . . . . A 7 ARG C . 30739 1 42 . 1 . 1 6 6 ARG CA C 13 58.9651 0.0000 . 1 . . . . A 7 ARG CA . 30739 1 43 . 1 . 1 6 6 ARG CB C 13 30.9171 0.0000 . 1 . . . . A 7 ARG CB . 30739 1 44 . 1 . 1 6 6 ARG CG C 13 27.5014 0.0000 . 1 . . . . A 7 ARG CG . 30739 1 45 . 1 . 1 6 6 ARG CD C 13 45.6255 0.0000 . 1 . . . . A 7 ARG CD . 30739 1 46 . 1 . 1 6 6 ARG N N 15 120.6764 0.0000 . 1 . . . . A 7 ARG N . 30739 1 47 . 1 . 1 7 7 ASP H H 1 8.5489 0.0000 . 1 . . . . A 8 ASP H . 30739 1 48 . 1 . 1 7 7 ASP HA H 1 4.1549 0.0000 . 1 . . . . A 8 ASP HA . 30739 1 49 . 1 . 1 7 7 ASP C C 13 178.0489 0.0000 . 1 . . . . A 8 ASP C . 30739 1 50 . 1 . 1 7 7 ASP CA C 13 56.9127 0.0000 . 1 . . . . A 8 ASP CA . 30739 1 51 . 1 . 1 7 7 ASP CB C 13 40.9930 0.0000 . 1 . . . . A 8 ASP CB . 30739 1 52 . 1 . 1 7 7 ASP N N 15 119.7285 0.0000 . 1 . . . . A 8 ASP N . 30739 1 53 . 1 . 1 8 8 TRP H H 1 8.2666 0.0000 . 1 . . . . A 9 TRP H . 30739 1 54 . 1 . 1 8 8 TRP HA H 1 3.8034 0.0000 . 1 . . . . A 9 TRP HA . 30739 1 55 . 1 . 1 8 8 TRP HB2 H 1 3.3910 0.0000 . 2 . . . . A 9 TRP HB2 . 30739 1 56 . 1 . 1 8 8 TRP HD1 H 1 7.1805 0.0000 . 1 . . . . A 9 TRP HD1 . 30739 1 57 . 1 . 1 8 8 TRP HE1 H 1 10.2836 0.0000 . 1 . . . . A 9 TRP HE1 . 30739 1 58 . 1 . 1 8 8 TRP HE3 H 1 6.9120 0.0000 . 1 . . . . A 9 TRP HE3 . 30739 1 59 . 1 . 1 8 8 TRP HZ2 H 1 7.2968 0.0000 . 1 . . . . A 9 TRP HZ2 . 30739 1 60 . 1 . 1 8 8 TRP HZ3 H 1 7.4354 0.0000 . 1 . . . . A 9 TRP HZ3 . 30739 1 61 . 1 . 1 8 8 TRP HH2 H 1 6.7642 0.0000 . 1 . . . . A 9 TRP HH2 . 30739 1 62 . 1 . 1 8 8 TRP C C 13 176.7724 0.0000 . 1 . . . . A 9 TRP C . 30739 1 63 . 1 . 1 8 8 TRP CA C 13 61.1301 0.0000 . 1 . . . . A 9 TRP CA . 30739 1 64 . 1 . 1 8 8 TRP CB C 13 29.6763 0.0000 . 1 . . . . A 9 TRP CB . 30739 1 65 . 1 . 1 8 8 TRP CD1 C 13 127.8740 0.0000 . 1 . . . . A 9 TRP CD1 . 30739 1 66 . 1 . 1 8 8 TRP CE3 C 13 120.4560 0.0000 . 1 . . . . A 9 TRP CE3 . 30739 1 67 . 1 . 1 8 8 TRP CZ2 C 13 114.6820 0.0000 . 1 . . . . A 9 TRP CZ2 . 30739 1 68 . 1 . 1 8 8 TRP CZ3 C 13 114.9889 0.0000 . 1 . . . . A 9 TRP CZ3 . 30739 1 69 . 1 . 1 8 8 TRP CH2 C 13 124.2886 0.0000 . 1 . . . . A 9 TRP CH2 . 30739 1 70 . 1 . 1 8 8 TRP N N 15 123.5220 0.0000 . 1 . . . . A 9 TRP N . 30739 1 71 . 1 . 1 8 8 TRP NE1 N 15 129.5393 0.0000 . 1 . . . . A 9 TRP NE1 . 30739 1 72 . 1 . 1 9 9 LYS H H 1 8.1843 0.0000 . 1 . . . . A 10 LYS H . 30739 1 73 . 1 . 1 9 9 LYS HA H 1 3.8034 0.0000 . 1 . . . . A 10 LYS HA . 30739 1 74 . 1 . 1 9 9 LYS HB2 H 1 1.9764 0.0000 . 2 . . . . A 10 LYS HB2 . 30739 1 75 . 1 . 1 9 9 LYS HG2 H 1 1.5901 0.0000 . 2 . . . . A 10 LYS HG2 . 30739 1 76 . 1 . 1 9 9 LYS HD2 H 1 1.8149 0.0000 . 2 . . . . A 10 LYS HD2 . 30739 1 77 . 1 . 1 9 9 LYS HE2 H 1 3.0450 0.0000 . 2 . . . . A 10 LYS HE2 . 30739 1 78 . 1 . 1 9 9 LYS C C 13 180.1231 0.0000 . 1 . . . . A 10 LYS C . 30739 1 79 . 1 . 1 9 9 LYS CA C 13 60.7625 0.0000 . 1 . . . . A 10 LYS CA . 30739 1 80 . 1 . 1 9 9 LYS CB C 13 32.7470 0.0000 . 1 . . . . A 10 LYS CB . 30739 1 81 . 1 . 1 9 9 LYS CG C 13 25.9533 0.0000 . 1 . . . . A 10 LYS CG . 30739 1 82 . 1 . 1 9 9 LYS CD C 13 29.7837 0.0000 . 1 . . . . A 10 LYS CD . 30739 1 83 . 1 . 1 9 9 LYS CE C 13 42.3131 0.0000 . 1 . . . . A 10 LYS CE . 30739 1 84 . 1 . 1 9 9 LYS N N 15 116.9711 0.0000 . 1 . . . . A 10 LYS N . 30739 1 85 . 1 . 1 10 10 MET H H 1 8.2556 0.0000 . 1 . . . . A 11 MET H . 30739 1 86 . 1 . 1 10 10 MET HA H 1 4.1418 0.0000 . 1 . . . . A 11 MET HA . 30739 1 87 . 1 . 1 10 10 MET HB2 H 1 2.0744 0.0000 . 2 . . . . A 11 MET HB2 . 30739 1 88 . 1 . 1 10 10 MET C C 13 178.1143 0.0000 . 1 . . . . A 11 MET C . 30739 1 89 . 1 . 1 10 10 MET CA C 13 58.3611 0.0000 . 1 . . . . A 11 MET CA . 30739 1 90 . 1 . 1 10 10 MET CB C 13 32.7450 0.0000 . 1 . . . . A 11 MET CB . 30739 1 91 . 1 . 1 10 10 MET N N 15 118.1373 0.0000 . 1 . . . . A 11 MET N . 30739 1 92 . 1 . 1 11 11 ALA H H 1 7.9513 0.0000 . 1 . . . . A 12 ALA H . 30739 1 93 . 1 . 1 11 11 ALA HA H 1 3.8837 0.0000 . 1 . . . . A 12 ALA HA . 30739 1 94 . 1 . 1 11 11 ALA HB1 H 1 1.0172 0.0000 . 1 . . . . A 12 ALA HB1 . 30739 1 95 . 1 . 1 11 11 ALA HB2 H 1 1.0172 0.0000 . 1 . . . . A 12 ALA HB2 . 30739 1 96 . 1 . 1 11 11 ALA HB3 H 1 1.0172 0.0000 . 1 . . . . A 12 ALA HB3 . 30739 1 97 . 1 . 1 11 11 ALA C C 13 179.4712 0.0000 . 1 . . . . A 12 ALA C . 30739 1 98 . 1 . 1 11 11 ALA CA C 13 55.8956 0.0000 . 1 . . . . A 12 ALA CA . 30739 1 99 . 1 . 1 11 11 ALA CB C 13 18.5237 0.0000 . 1 . . . . A 12 ALA CB . 30739 1 100 . 1 . 1 11 11 ALA N N 15 122.6838 0.0000 . 1 . . . . A 12 ALA N . 30739 1 101 . 1 . 1 12 12 ILE H H 1 8.2080 0.0000 . 1 . . . . A 13 ILE H . 30739 1 102 . 1 . 1 12 12 ILE HA H 1 3.3047 0.0000 . 1 . . . . A 13 ILE HA . 30739 1 103 . 1 . 1 12 12 ILE HB H 1 1.9109 0.0000 . 1 . . . . A 13 ILE HB . 30739 1 104 . 1 . 1 12 12 ILE HG12 H 1 0.8808 0.0000 . 2 . . . . A 13 ILE HG12 . 30739 1 105 . 1 . 1 12 12 ILE HG21 H 1 0.8128 0.0000 . 1 . . . . A 13 ILE HG21 . 30739 1 106 . 1 . 1 12 12 ILE HG22 H 1 0.8128 0.0000 . 1 . . . . A 13 ILE HG22 . 30739 1 107 . 1 . 1 12 12 ILE HG23 H 1 0.8128 0.0000 . 1 . . . . A 13 ILE HG23 . 30739 1 108 . 1 . 1 12 12 ILE HD11 H 1 0.1893 0.0000 . 1 . . . . A 13 ILE HD11 . 30739 1 109 . 1 . 1 12 12 ILE HD12 H 1 0.1893 0.0000 . 1 . . . . A 13 ILE HD12 . 30739 1 110 . 1 . 1 12 12 ILE HD13 H 1 0.1893 0.0000 . 1 . . . . A 13 ILE HD13 . 30739 1 111 . 1 . 1 12 12 ILE C C 13 179.1039 0.0000 . 1 . . . . A 13 ILE C . 30739 1 112 . 1 . 1 12 12 ILE CA C 13 63.5306 0.0000 . 1 . . . . A 13 ILE CA . 30739 1 113 . 1 . 1 12 12 ILE CB C 13 36.2528 0.0000 . 1 . . . . A 13 ILE CB . 30739 1 114 . 1 . 1 12 12 ILE CG1 C 13 27.9662 0.0000 . 1 . . . . A 13 ILE CG1 . 30739 1 115 . 1 . 1 12 12 ILE CG2 C 13 17.8609 0.0000 . 1 . . . . A 13 ILE CG2 . 30739 1 116 . 1 . 1 12 12 ILE CD1 C 13 11.4763 0.0000 . 1 . . . . A 13 ILE CD1 . 30739 1 117 . 1 . 1 12 12 ILE N N 15 117.4310 0.0000 . 1 . . . . A 13 ILE N . 30739 1 118 . 1 . 1 13 13 LYS H H 1 7.8361 0.0000 . 1 . . . . A 14 LYS H . 30739 1 119 . 1 . 1 13 13 LYS HA H 1 4.2257 0.0000 . 1 . . . . A 14 LYS HA . 30739 1 120 . 1 . 1 13 13 LYS HB2 H 1 2.0674 0.0000 . 2 . . . . A 14 LYS HB2 . 30739 1 121 . 1 . 1 13 13 LYS HG2 H 1 1.6025 0.0000 . 2 . . . . A 14 LYS HG2 . 30739 1 122 . 1 . 1 13 13 LYS HD2 H 1 1.8257 0.0000 . 2 . . . . A 14 LYS HD2 . 30739 1 123 . 1 . 1 13 13 LYS HE2 H 1 3.2403 0.0000 . 2 . . . . A 14 LYS HE2 . 30739 1 124 . 1 . 1 13 13 LYS C C 13 180.1971 0.0000 . 1 . . . . A 14 LYS C . 30739 1 125 . 1 . 1 13 13 LYS CA C 13 60.2977 0.0000 . 1 . . . . A 14 LYS CA . 30739 1 126 . 1 . 1 13 13 LYS CB C 13 32.5877 0.0000 . 1 . . . . A 14 LYS CB . 30739 1 127 . 1 . 1 13 13 LYS CG C 13 25.6780 0.0000 . 1 . . . . A 14 LYS CG . 30739 1 128 . 1 . 1 13 13 LYS CD C 13 30.0140 0.0000 . 1 . . . . A 14 LYS CD . 30739 1 129 . 1 . 1 13 13 LYS CE C 13 43.7679 0.0000 . 1 . . . . A 14 LYS CE . 30739 1 130 . 1 . 1 13 13 LYS N N 15 122.0144 0.0000 . 1 . . . . A 14 LYS N . 30739 1 131 . 1 . 1 14 14 ARG H H 1 7.9019 0.0000 . 1 . . . . A 15 ARG H . 30739 1 132 . 1 . 1 14 14 ARG HA H 1 4.1050 0.0000 . 1 . . . . A 15 ARG HA . 30739 1 133 . 1 . 1 14 14 ARG HB2 H 1 2.0492 0.0000 . 2 . . . . A 15 ARG HB2 . 30739 1 134 . 1 . 1 14 14 ARG HG2 H 1 1.6025 0.0000 . 2 . . . . A 15 ARG HG2 . 30739 1 135 . 1 . 1 14 14 ARG HD2 H 1 3.2740 0.0000 . 2 . . . . A 15 ARG HD2 . 30739 1 136 . 1 . 1 14 14 ARG HE H 1 7.1113 0.0000 . 1 . . . . A 15 ARG HE . 30739 1 137 . 1 . 1 14 14 ARG C C 13 179.3890 0.0000 . 1 . . . . A 15 ARG C . 30739 1 138 . 1 . 1 14 14 ARG CA C 13 60.1856 0.0000 . 1 . . . . A 15 ARG CA . 30739 1 139 . 1 . 1 14 14 ARG CB C 13 31.8951 0.0000 . 1 . . . . A 15 ARG CB . 30739 1 140 . 1 . 1 14 14 ARG CG C 13 28.5313 0.0000 . 1 . . . . A 15 ARG CG . 30739 1 141 . 1 . 1 14 14 ARG CD C 13 45.1318 0.0000 . 1 . . . . A 15 ARG CD . 30739 1 142 . 1 . 1 14 14 ARG N N 15 118.8812 0.0000 . 1 . . . . A 15 ARG N . 30739 1 143 . 1 . 1 15 15 CYS H H 1 7.7814 0.0000 . 1 . . . . A 16 CYS H . 30739 1 144 . 1 . 1 15 15 CYS HA H 1 4.0430 0.0000 . 1 . . . . A 16 CYS HA . 30739 1 145 . 1 . 1 15 15 CYS HB2 H 1 2.7254 0.0000 . 2 . . . . A 16 CYS HB2 . 30739 1 146 . 1 . 1 15 15 CYS C C 13 175.4005 0.0000 . 1 . . . . A 16 CYS C . 30739 1 147 . 1 . 1 15 15 CYS CA C 13 62.7390 0.0000 . 1 . . . . A 16 CYS CA . 30739 1 148 . 1 . 1 15 15 CYS CB C 13 29.1596 0.0000 . 1 . . . . A 16 CYS CB . 30739 1 149 . 1 . 1 15 15 CYS N N 15 116.0321 0.0000 . 1 . . . . A 16 CYS N . 30739 1 150 . 1 . 1 16 16 SER H H 1 7.7288 0.0000 . 1 . . . . A 17 SER H . 30739 1 151 . 1 . 1 16 16 SER HA H 1 4.9285 0.0000 . 1 . . . . A 17 SER HA . 30739 1 152 . 1 . 1 16 16 SER HB2 H 1 4.2406 0.0000 . 2 . . . . A 17 SER HB2 . 30739 1 153 . 1 . 1 16 16 SER C C 13 173.4268 0.0000 . 1 . . . . A 17 SER C . 30739 1 154 . 1 . 1 16 16 SER CA C 13 61.1990 0.0000 . 1 . . . . A 17 SER CA . 30739 1 155 . 1 . 1 16 16 SER CB C 13 64.0688 0.0000 . 1 . . . . A 17 SER CB . 30739 1 156 . 1 . 1 16 16 SER N N 15 113.5602 0.0000 . 1 . . . . A 17 SER N . 30739 1 157 . 1 . 1 17 17 ASN H H 1 7.5803 0.0000 . 1 . . . . A 18 ASN H . 30739 1 158 . 1 . 1 17 17 ASN HA H 1 5.0755 0.0000 . 1 . . . . A 18 ASN HA . 30739 1 159 . 1 . 1 17 17 ASN HB2 H 1 3.0012 0.0000 . 2 . . . . A 18 ASN HB2 . 30739 1 160 . 1 . 1 17 17 ASN HD21 H 1 7.3176 0.0000 . 2 . . . . A 18 ASN HD21 . 30739 1 161 . 1 . 1 17 17 ASN HD22 H 1 7.3172 0.0000 . 2 . . . . A 18 ASN HD22 . 30739 1 162 . 1 . 1 17 17 ASN C C 13 174.8247 0.0000 . 1 . . . . A 18 ASN C . 30739 1 163 . 1 . 1 17 17 ASN CA C 13 53.7022 0.0000 . 1 . . . . A 18 ASN CA . 30739 1 164 . 1 . 1 17 17 ASN CB C 13 40.3475 0.0000 . 1 . . . . A 18 ASN CB . 30739 1 165 . 1 . 1 17 17 ASN N N 15 116.0574 0.0000 . 1 . . . . A 18 ASN N . 30739 1 166 . 1 . 1 17 17 ASN ND2 N 15 113.7345 0.0000 . 1 . . . . A 18 ASN ND2 . 30739 1 167 . 1 . 1 18 18 VAL H H 1 7.9221 0.0000 . 1 . . . . A 19 VAL H . 30739 1 168 . 1 . 1 18 18 VAL HA H 1 3.8917 0.0000 . 1 . . . . A 19 VAL HA . 30739 1 169 . 1 . 1 18 18 VAL HB H 1 2.5332 0.0000 . 1 . . . . A 19 VAL HB . 30739 1 170 . 1 . 1 18 18 VAL HG11 H 1 1.0209 0.0000 . 2 . . . . A 19 VAL HG11 . 30739 1 171 . 1 . 1 18 18 VAL HG12 H 1 1.0209 0.0000 . 2 . . . . A 19 VAL HG12 . 30739 1 172 . 1 . 1 18 18 VAL HG13 H 1 1.0209 0.0000 . 2 . . . . A 19 VAL HG13 . 30739 1 173 . 1 . 1 18 18 VAL HG21 H 1 0.9208 0.0000 . 2 . . . . A 19 VAL HG21 . 30739 1 174 . 1 . 1 18 18 VAL HG22 H 1 0.9208 0.0000 . 2 . . . . A 19 VAL HG22 . 30739 1 175 . 1 . 1 18 18 VAL HG23 H 1 0.9208 0.0000 . 2 . . . . A 19 VAL HG23 . 30739 1 176 . 1 . 1 18 18 VAL C C 13 174.3818 0.0000 . 1 . . . . A 19 VAL C . 30739 1 177 . 1 . 1 18 18 VAL CA C 13 63.7103 0.0000 . 1 . . . . A 19 VAL CA . 30739 1 178 . 1 . 1 18 18 VAL CB C 13 32.5768 0.0000 . 1 . . . . A 19 VAL CB . 30739 1 179 . 1 . 1 18 18 VAL CG1 C 13 21.6181 0.0000 . 2 . . . . A 19 VAL CG1 . 30739 1 180 . 1 . 1 18 18 VAL CG2 C 13 22.0423 0.0000 . 2 . . . . A 19 VAL CG2 . 30739 1 181 . 1 . 1 18 18 VAL N N 15 122.2531 0.0000 . 1 . . . . A 19 VAL N . 30739 1 182 . 1 . 1 19 19 ALA H H 1 8.2199 0.0000 . 1 . . . . A 20 ALA H . 30739 1 183 . 1 . 1 19 19 ALA HA H 1 4.8271 0.0000 . 1 . . . . A 20 ALA HA . 30739 1 184 . 1 . 1 19 19 ALA HB1 H 1 1.6184 0.0000 . 1 . . . . A 20 ALA HB1 . 30739 1 185 . 1 . 1 19 19 ALA HB2 H 1 1.6184 0.0000 . 1 . . . . A 20 ALA HB2 . 30739 1 186 . 1 . 1 19 19 ALA HB3 H 1 1.6184 0.0000 . 1 . . . . A 20 ALA HB3 . 30739 1 187 . 1 . 1 19 19 ALA C C 13 177.2359 0.0000 . 1 . . . . A 20 ALA C . 30739 1 188 . 1 . 1 19 19 ALA CA C 13 52.6133 0.0000 . 1 . . . . A 20 ALA CA . 30739 1 189 . 1 . 1 19 19 ALA CB C 13 20.8487 0.0000 . 1 . . . . A 20 ALA CB . 30739 1 190 . 1 . 1 19 19 ALA N N 15 129.1398 0.0000 . 1 . . . . A 20 ALA N . 30739 1 191 . 1 . 1 20 20 VAL H H 1 8.4024 0.0000 . 1 . . . . A 21 VAL H . 30739 1 192 . 1 . 1 20 20 VAL HA H 1 3.8672 0.0000 . 1 . . . . A 21 VAL HA . 30739 1 193 . 1 . 1 20 20 VAL HB H 1 1.6954 0.0000 . 1 . . . . A 21 VAL HB . 30739 1 194 . 1 . 1 20 20 VAL HG11 H 1 0.3180 0.0000 . 2 . . . . A 21 VAL HG11 . 30739 1 195 . 1 . 1 20 20 VAL HG12 H 1 0.3180 0.0000 . 2 . . . . A 21 VAL HG12 . 30739 1 196 . 1 . 1 20 20 VAL HG13 H 1 0.3180 0.0000 . 2 . . . . A 21 VAL HG13 . 30739 1 197 . 1 . 1 20 20 VAL C C 13 176.3051 0.0000 . 1 . . . . A 21 VAL C . 30739 1 198 . 1 . 1 20 20 VAL CA C 13 64.1477 0.0000 . 1 . . . . A 21 VAL CA . 30739 1 199 . 1 . 1 20 20 VAL CB C 13 32.8141 0.0000 . 1 . . . . A 21 VAL CB . 30739 1 200 . 1 . 1 20 20 VAL CG1 C 13 20.7458 0.0000 . 2 . . . . A 21 VAL CG1 . 30739 1 201 . 1 . 1 20 20 VAL N N 15 119.2838 0.0000 . 1 . . . . A 21 VAL N . 30739 1 202 . 1 . 1 21 21 GLY H H 1 8.1787 0.0000 . 1 . . . . A 22 GLY H . 30739 1 203 . 1 . 1 21 21 GLY HA2 H 1 3.8426 0.0000 . 2 . . . . A 22 GLY HA2 . 30739 1 204 . 1 . 1 21 21 GLY C C 13 173.2196 0.0000 . 1 . . . . A 22 GLY C . 30739 1 205 . 1 . 1 21 21 GLY CA C 13 45.2281 0.0000 . 1 . . . . A 22 GLY CA . 30739 1 206 . 1 . 1 21 21 GLY N N 15 108.7013 0.0000 . 1 . . . . A 22 GLY N . 30739 1 207 . 1 . 1 22 22 VAL H H 1 8.0353 0.0000 . 1 . . . . A 23 VAL H . 30739 1 208 . 1 . 1 22 22 VAL HA H 1 3.8960 0.0000 . 1 . . . . A 23 VAL HA . 30739 1 209 . 1 . 1 22 22 VAL HB H 1 2.0295 0.0000 . 1 . . . . A 23 VAL HB . 30739 1 210 . 1 . 1 22 22 VAL C C 13 177.0375 0.0000 . 1 . . . . A 23 VAL C . 30739 1 211 . 1 . 1 22 22 VAL CA C 13 62.4416 0.0000 . 1 . . . . A 23 VAL CA . 30739 1 212 . 1 . 1 22 22 VAL CB C 13 33.6441 0.0000 . 1 . . . . A 23 VAL CB . 30739 1 213 . 1 . 1 22 22 VAL N N 15 117.2481 0.0000 . 1 . . . . A 23 VAL N . 30739 1 214 . 1 . 1 23 23 GLY H H 1 8.6737 0.0000 . 1 . . . . A 24 GLY H . 30739 1 215 . 1 . 1 23 23 GLY C C 13 175.1820 0.0000 . 1 . . . . A 24 GLY C . 30739 1 216 . 1 . 1 23 23 GLY CA C 13 46.0196 0.0000 . 1 . . . . A 24 GLY CA . 30739 1 217 . 1 . 1 23 23 GLY N N 15 112.7910 0.0000 . 1 . . . . A 24 GLY N . 30739 1 218 . 1 . 1 24 24 GLY H H 1 8.5761 0.0000 . 1 . . . . A 25 GLY H . 30739 1 219 . 1 . 1 24 24 GLY HA2 H 1 4.0110 0.0000 . 2 . . . . A 25 GLY HA2 . 30739 1 220 . 1 . 1 24 24 GLY C C 13 174.5976 0.0000 . 1 . . . . A 25 GLY C . 30739 1 221 . 1 . 1 24 24 GLY CA C 13 46.3441 0.0000 . 1 . . . . A 25 GLY CA . 30739 1 222 . 1 . 1 24 24 GLY N N 15 109.5491 0.0000 . 1 . . . . A 25 GLY N . 30739 1 223 . 1 . 1 25 25 LYS H H 1 8.2275 0.0000 . 1 . . . . A 26 LYS H . 30739 1 224 . 1 . 1 25 25 LYS HA H 1 4.5419 0.0000 . 1 . . . . A 26 LYS HA . 30739 1 225 . 1 . 1 25 25 LYS HB2 H 1 1.9014 0.0000 . 2 . . . . A 26 LYS HB2 . 30739 1 226 . 1 . 1 25 25 LYS HG2 H 1 1.8883 0.0000 . 2 . . . . A 26 LYS HG2 . 30739 1 227 . 1 . 1 25 25 LYS HD2 H 1 1.8207 0.0000 . 2 . . . . A 26 LYS HD2 . 30739 1 228 . 1 . 1 25 25 LYS C C 13 176.2377 0.0000 . 1 . . . . A 26 LYS C . 30739 1 229 . 1 . 1 25 25 LYS CA C 13 56.5517 0.0000 . 1 . . . . A 26 LYS CA . 30739 1 230 . 1 . 1 25 25 LYS CB C 13 33.0106 0.0000 . 1 . . . . A 26 LYS CB . 30739 1 231 . 1 . 1 25 25 LYS CG C 13 24.2064 0.0000 . 1 . . . . A 26 LYS CG . 30739 1 232 . 1 . 1 25 25 LYS CD C 13 29.6168 0.0000 . 1 . . . . A 26 LYS CD . 30739 1 233 . 1 . 1 25 25 LYS N N 15 119.9212 0.0000 . 1 . . . . A 26 LYS N . 30739 1 234 . 1 . 1 26 26 SER H H 1 7.8310 0.0000 . 1 . . . . A 27 SER H . 30739 1 235 . 1 . 1 26 26 SER HA H 1 4.5002 0.0000 . 1 . . . . A 27 SER HA . 30739 1 236 . 1 . 1 26 26 SER C C 13 174.4124 0.0000 . 1 . . . . A 27 SER C . 30739 1 237 . 1 . 1 26 26 SER CA C 13 58.9136 0.0000 . 1 . . . . A 27 SER CA . 30739 1 238 . 1 . 1 26 26 SER CB C 13 64.7370 0.0000 . 1 . . . . A 27 SER CB . 30739 1 239 . 1 . 1 26 26 SER N N 15 114.5137 0.0000 . 1 . . . . A 27 SER N . 30739 1 240 . 1 . 1 27 27 LYS H H 1 8.2971 0.0000 . 1 . . . . A 28 LYS H . 30739 1 241 . 1 . 1 27 27 LYS HA H 1 4.5070 0.0000 . 1 . . . . A 28 LYS HA . 30739 1 242 . 1 . 1 27 27 LYS HG2 H 1 1.5492 0.0000 . 2 . . . . A 28 LYS HG2 . 30739 1 243 . 1 . 1 27 27 LYS HE3 H 1 3.0055 0.0000 . 2 . . . . A 28 LYS HE3 . 30739 1 244 . 1 . 1 27 27 LYS C C 13 175.6449 0.0000 . 1 . . . . A 28 LYS C . 30739 1 245 . 1 . 1 27 27 LYS CA C 13 56.8885 0.0000 . 1 . . . . A 28 LYS CA . 30739 1 246 . 1 . 1 27 27 LYS CB C 13 34.0971 0.0000 . 1 . . . . A 28 LYS CB . 30739 1 247 . 1 . 1 27 27 LYS CG C 13 26.7930 0.0000 . 1 . . . . A 28 LYS CG . 30739 1 248 . 1 . 1 27 27 LYS CE C 13 39.1735 0.0000 . 1 . . . . A 28 LYS CE . 30739 1 249 . 1 . 1 27 27 LYS N N 15 123.4195 0.0000 . 1 . . . . A 28 LYS N . 30739 1 250 . 1 . 1 28 28 LYS H H 1 8.4687 0.0000 . 1 . . . . A 29 LYS H . 30739 1 251 . 1 . 1 28 28 LYS HA H 1 5.0008 0.0000 . 1 . . . . A 29 LYS HA . 30739 1 252 . 1 . 1 28 28 LYS HB2 H 1 2.2904 0.0000 . 2 . . . . A 29 LYS HB2 . 30739 1 253 . 1 . 1 28 28 LYS HB3 H 1 2.3087 0.0000 . 2 . . . . A 29 LYS HB3 . 30739 1 254 . 1 . 1 28 28 LYS HG2 H 1 1.6309 0.0000 . 2 . . . . A 29 LYS HG2 . 30739 1 255 . 1 . 1 28 28 LYS HD2 H 1 1.6103 0.0000 . 2 . . . . A 29 LYS HD2 . 30739 1 256 . 1 . 1 28 28 LYS C C 13 177.7539 0.0000 . 1 . . . . A 29 LYS C . 30739 1 257 . 1 . 1 28 28 LYS CA C 13 55.2039 0.0000 . 1 . . . . A 29 LYS CA . 30739 1 258 . 1 . 1 28 28 LYS CB C 13 34.9613 0.0000 . 1 . . . . A 29 LYS CB . 30739 1 259 . 1 . 1 28 28 LYS CG C 13 27.0683 0.0000 . 1 . . . . A 29 LYS CG . 30739 1 260 . 1 . 1 28 28 LYS CD C 13 28.6401 0.0000 . 1 . . . . A 29 LYS CD . 30739 1 261 . 1 . 1 28 28 LYS N N 15 121.0069 0.0000 . 1 . . . . A 29 LYS N . 30739 1 262 . 1 . 1 29 29 PHE H H 1 8.1901 0.0000 . 1 . . . . A 30 PHE H . 30739 1 263 . 1 . 1 29 29 PHE HA H 1 4.0540 0.0000 . 1 . . . . A 30 PHE HA . 30739 1 264 . 1 . 1 29 29 PHE HB2 H 1 3.2216 0.0000 . 2 . . . . A 30 PHE HB2 . 30739 1 265 . 1 . 1 29 29 PHE HD1 H 1 7.1148 0.0000 . 3 . . . . A 30 PHE HD1 . 30739 1 266 . 1 . 1 29 29 PHE HD2 H 1 7.1456 0.0000 . 3 . . . . A 30 PHE HD2 . 30739 1 267 . 1 . 1 29 29 PHE HE1 H 1 6.6695 0.0000 . 3 . . . . A 30 PHE HE1 . 30739 1 268 . 1 . 1 29 29 PHE HZ H 1 7.1929 0.0000 . 1 . . . . A 30 PHE HZ . 30739 1 269 . 1 . 1 29 29 PHE C C 13 175.4966 0.0000 . 1 . . . . A 30 PHE C . 30739 1 270 . 1 . 1 29 29 PHE CA C 13 61.1286 0.0000 . 1 . . . . A 30 PHE CA . 30739 1 271 . 1 . 1 29 29 PHE CB C 13 41.6150 0.0000 . 1 . . . . A 30 PHE CB . 30739 1 272 . 1 . 1 29 29 PHE CD1 C 13 132.6103 0.0000 . 3 . . . . A 30 PHE CD1 . 30739 1 273 . 1 . 1 29 29 PHE CD2 C 13 132.6736 0.0000 . 3 . . . . A 30 PHE CD2 . 30739 1 274 . 1 . 1 29 29 PHE CE1 C 13 131.0795 0.0000 . 3 . . . . A 30 PHE CE1 . 30739 1 275 . 1 . 1 29 29 PHE CZ C 13 129.4354 0.0000 . 1 . . . . A 30 PHE CZ . 30739 1 276 . 1 . 1 29 29 PHE N N 15 119.8928 0.0000 . 1 . . . . A 30 PHE N . 30739 1 277 . 1 . 1 30 30 GLY H H 1 8.3870 0.0000 . 1 . . . . A 31 GLY H . 30739 1 278 . 1 . 1 30 30 GLY HA2 H 1 4.0015 0.0000 . 2 . . . . A 31 GLY HA2 . 30739 1 279 . 1 . 1 30 30 GLY C C 13 174.2226 0.0000 . 1 . . . . A 31 GLY C . 30739 1 280 . 1 . 1 30 30 GLY CA C 13 44.0949 0.0000 . 1 . . . . A 31 GLY CA . 30739 1 281 . 1 . 1 30 30 GLY N N 15 107.1037 0.0000 . 1 . . . . A 31 GLY N . 30739 1 282 . 1 . 1 31 31 GLU H H 1 9.0927 0.0000 . 1 . . . . A 32 GLU H . 30739 1 283 . 1 . 1 31 31 GLU HA H 1 4.0567 0.0000 . 1 . . . . A 32 GLU HA . 30739 1 284 . 1 . 1 31 31 GLU HB2 H 1 2.5225 0.0000 . 2 . . . . A 32 GLU HB2 . 30739 1 285 . 1 . 1 31 31 GLU C C 13 178.6965 0.0000 . 1 . . . . A 32 GLU C . 30739 1 286 . 1 . 1 31 31 GLU CA C 13 61.5745 0.0000 . 1 . . . . A 32 GLU CA . 30739 1 287 . 1 . 1 31 31 GLU CB C 13 30.4368 0.0000 . 1 . . . . A 32 GLU CB . 30739 1 288 . 1 . 1 31 31 GLU N N 15 120.2825 0.0000 . 1 . . . . A 32 GLU N . 30739 1 289 . 1 . 1 32 32 GLY H H 1 9.2146 0.0000 . 1 . . . . A 33 GLY H . 30739 1 290 . 1 . 1 32 32 GLY C C 13 177.1322 0.0000 . 1 . . . . A 33 GLY C . 30739 1 291 . 1 . 1 32 32 GLY CA C 13 47.7782 0.0000 . 1 . . . . A 33 GLY CA . 30739 1 292 . 1 . 1 33 33 ASN H H 1 7.9794 0.0000 . 1 . . . . A 34 ASN H . 30739 1 293 . 1 . 1 33 33 ASN HA H 1 4.0947 0.0000 . 1 . . . . A 34 ASN HA . 30739 1 294 . 1 . 1 33 33 ASN HB2 H 1 2.4177 0.0000 . 2 . . . . A 34 ASN HB2 . 30739 1 295 . 1 . 1 33 33 ASN HD21 H 1 7.0502 0.0000 . 2 . . . . A 34 ASN HD21 . 30739 1 296 . 1 . 1 33 33 ASN HD22 H 1 7.9005 0.0000 . 2 . . . . A 34 ASN HD22 . 30739 1 297 . 1 . 1 33 33 ASN C C 13 177.0831 0.0000 . 1 . . . . A 34 ASN C . 30739 1 298 . 1 . 1 33 33 ASN CA C 13 58.1861 0.0000 . 1 . . . . A 34 ASN CA . 30739 1 299 . 1 . 1 33 33 ASN CB C 13 39.4340 0.0000 . 1 . . . . A 34 ASN CB . 30739 1 300 . 1 . 1 33 33 ASN N N 15 118.4763 0.0000 . 1 . . . . A 34 ASN N . 30739 1 301 . 1 . 1 33 33 ASN ND2 N 15 111.6738 0.0000 . 1 . . . . A 34 ASN ND2 . 30739 1 302 . 1 . 1 34 34 PHE H H 1 7.2992 0.0000 . 1 . . . . A 35 PHE H . 30739 1 303 . 1 . 1 34 34 PHE HA H 1 4.1134 0.0000 . 1 . . . . A 35 PHE HA . 30739 1 304 . 1 . 1 34 34 PHE HB2 H 1 2.8823 0.0000 . 2 . . . . A 35 PHE HB2 . 30739 1 305 . 1 . 1 34 34 PHE HD1 H 1 7.0884 0.0000 . 3 . . . . A 35 PHE HD1 . 30739 1 306 . 1 . 1 34 34 PHE HD2 H 1 7.0990 0.0000 . 3 . . . . A 35 PHE HD2 . 30739 1 307 . 1 . 1 34 34 PHE C C 13 177.0713 0.0000 . 1 . . . . A 35 PHE C . 30739 1 308 . 1 . 1 34 34 PHE CA C 13 62.9904 0.0000 . 1 . . . . A 35 PHE CA . 30739 1 309 . 1 . 1 34 34 PHE CB C 13 39.4809 0.0000 . 1 . . . . A 35 PHE CB . 30739 1 310 . 1 . 1 34 34 PHE CD1 C 13 132.6220 0.0000 . 3 . . . . A 35 PHE CD1 . 30739 1 311 . 1 . 1 34 34 PHE CD2 C 13 132.6872 0.0000 . 3 . . . . A 35 PHE CD2 . 30739 1 312 . 1 . 1 34 34 PHE N N 15 117.5288 0.0000 . 1 . . . . A 35 PHE N . 30739 1 313 . 1 . 1 35 35 ARG H H 1 8.4897 0.0000 . 1 . . . . A 36 ARG H . 30739 1 314 . 1 . 1 35 35 ARG HA H 1 4.0296 0.0000 . 1 . . . . A 36 ARG HA . 30739 1 315 . 1 . 1 35 35 ARG HB2 H 1 2.0808 0.0000 . 2 . . . . A 36 ARG HB2 . 30739 1 316 . 1 . 1 35 35 ARG HG2 H 1 1.7822 0.0000 . 2 . . . . A 36 ARG HG2 . 30739 1 317 . 1 . 1 35 35 ARG HD2 H 1 3.3230 0.0000 . 2 . . . . A 36 ARG HD2 . 30739 1 318 . 1 . 1 35 35 ARG C C 13 178.9474 0.0000 . 1 . . . . A 36 ARG C . 30739 1 319 . 1 . 1 35 35 ARG CA C 13 60.7244 0.0000 . 1 . . . . A 36 ARG CA . 30739 1 320 . 1 . 1 35 35 ARG CB C 13 30.4085 0.0000 . 1 . . . . A 36 ARG CB . 30739 1 321 . 1 . 1 35 35 ARG CG C 13 30.0219 0.0000 . 1 . . . . A 36 ARG CG . 30739 1 322 . 1 . 1 35 35 ARG CD C 13 43.9912 0.0000 . 1 . . . . A 36 ARG CD . 30739 1 323 . 1 . 1 35 35 ARG N N 15 117.7736 0.0000 . 1 . . . . A 36 ARG N . 30739 1 324 . 1 . 1 36 36 TRP H H 1 8.2153 0.0000 . 1 . . . . A 37 TRP H . 30739 1 325 . 1 . 1 36 36 TRP HA H 1 4.3463 0.0000 . 1 . . . . A 37 TRP HA . 30739 1 326 . 1 . 1 36 36 TRP HB2 H 1 3.1918 0.0000 . 2 . . . . A 37 TRP HB2 . 30739 1 327 . 1 . 1 36 36 TRP HD1 H 1 7.4189 0.0000 . 1 . . . . A 37 TRP HD1 . 30739 1 328 . 1 . 1 36 36 TRP HE1 H 1 10.3728 0.0000 . 1 . . . . A 37 TRP HE1 . 30739 1 329 . 1 . 1 36 36 TRP HE3 H 1 7.8566 0.0000 . 1 . . . . A 37 TRP HE3 . 30739 1 330 . 1 . 1 36 36 TRP HZ2 H 1 7.4506 0.0000 . 1 . . . . A 37 TRP HZ2 . 30739 1 331 . 1 . 1 36 36 TRP HZ3 H 1 6.7268 0.0000 . 1 . . . . A 37 TRP HZ3 . 30739 1 332 . 1 . 1 36 36 TRP HH2 H 1 7.6214 0.0000 . 1 . . . . A 37 TRP HH2 . 30739 1 333 . 1 . 1 36 36 TRP C C 13 177.0864 0.0000 . 1 . . . . A 37 TRP C . 30739 1 334 . 1 . 1 36 36 TRP CA C 13 62.3567 0.0000 . 1 . . . . A 37 TRP CA . 30739 1 335 . 1 . 1 36 36 TRP CB C 13 28.5700 0.0000 . 1 . . . . A 37 TRP CB . 30739 1 336 . 1 . 1 36 36 TRP CD1 C 13 128.7620 0.0000 . 1 . . . . A 37 TRP CD1 . 30739 1 337 . 1 . 1 36 36 TRP CE3 C 13 121.8434 0.0000 . 1 . . . . A 37 TRP CE3 . 30739 1 338 . 1 . 1 36 36 TRP CZ2 C 13 114.8021 0.0000 . 1 . . . . A 37 TRP CZ2 . 30739 1 339 . 1 . 1 36 36 TRP CZ3 C 13 120.0759 0.0000 . 1 . . . . A 37 TRP CZ3 . 30739 1 340 . 1 . 1 36 36 TRP CH2 C 13 125.5365 0.0000 . 1 . . . . A 37 TRP CH2 . 30739 1 341 . 1 . 1 36 36 TRP N N 15 119.2994 0.0000 . 1 . . . . A 37 TRP N . 30739 1 342 . 1 . 1 36 36 TRP NE1 N 15 130.8122 0.0000 . 1 . . . . A 37 TRP NE1 . 30739 1 343 . 1 . 1 37 37 ALA H H 1 8.2564 0.0000 . 1 . . . . A 38 ALA H . 30739 1 344 . 1 . 1 37 37 ALA HA H 1 3.1173 0.0000 . 1 . . . . A 38 ALA HA . 30739 1 345 . 1 . 1 37 37 ALA HB1 H 1 1.6557 0.0000 . 1 . . . . A 38 ALA HB1 . 30739 1 346 . 1 . 1 37 37 ALA HB2 H 1 1.6557 0.0000 . 1 . . . . A 38 ALA HB2 . 30739 1 347 . 1 . 1 37 37 ALA HB3 H 1 1.6557 0.0000 . 1 . . . . A 38 ALA HB3 . 30739 1 348 . 1 . 1 37 37 ALA C C 13 178.7753 0.0000 . 1 . . . . A 38 ALA C . 30739 1 349 . 1 . 1 37 37 ALA CA C 13 55.9753 0.0000 . 1 . . . . A 38 ALA CA . 30739 1 350 . 1 . 1 37 37 ALA CB C 13 19.8475 0.0000 . 1 . . . . A 38 ALA CB . 30739 1 351 . 1 . 1 37 37 ALA N N 15 120.8123 0.0000 . 1 . . . . A 38 ALA N . 30739 1 352 . 1 . 1 38 38 ILE H H 1 8.2668 0.0000 . 1 . . . . A 39 ILE H . 30739 1 353 . 1 . 1 38 38 ILE HA H 1 3.6928 0.0000 . 1 . . . . A 39 ILE HA . 30739 1 354 . 1 . 1 38 38 ILE HB H 1 1.7563 0.0000 . 1 . . . . A 39 ILE HB . 30739 1 355 . 1 . 1 38 38 ILE HG12 H 1 1.8080 0.0000 . 2 . . . . A 39 ILE HG12 . 30739 1 356 . 1 . 1 38 38 ILE HG21 H 1 1.0078 0.0000 . 1 . . . . A 39 ILE HG21 . 30739 1 357 . 1 . 1 38 38 ILE HG22 H 1 1.0078 0.0000 . 1 . . . . A 39 ILE HG22 . 30739 1 358 . 1 . 1 38 38 ILE HG23 H 1 1.0078 0.0000 . 1 . . . . A 39 ILE HG23 . 30739 1 359 . 1 . 1 38 38 ILE HD11 H 1 0.7691 0.0000 . 1 . . . . A 39 ILE HD11 . 30739 1 360 . 1 . 1 38 38 ILE HD12 H 1 0.7691 0.0000 . 1 . . . . A 39 ILE HD12 . 30739 1 361 . 1 . 1 38 38 ILE HD13 H 1 0.7691 0.0000 . 1 . . . . A 39 ILE HD13 . 30739 1 362 . 1 . 1 38 38 ILE C C 13 176.3639 0.0000 . 1 . . . . A 39 ILE C . 30739 1 363 . 1 . 1 38 38 ILE CA C 13 64.3866 0.0000 . 1 . . . . A 39 ILE CA . 30739 1 364 . 1 . 1 38 38 ILE CB C 13 39.0402 0.0000 . 1 . . . . A 39 ILE CB . 30739 1 365 . 1 . 1 38 38 ILE CG1 C 13 31.2828 0.0000 . 1 . . . . A 39 ILE CG1 . 30739 1 366 . 1 . 1 38 38 ILE CG2 C 13 19.3797 0.0000 . 1 . . . . A 39 ILE CG2 . 30739 1 367 . 1 . 1 38 38 ILE CD1 C 13 14.2301 0.0000 . 1 . . . . A 39 ILE CD1 . 30739 1 368 . 1 . 1 38 38 ILE N N 15 116.5249 0.0000 . 1 . . . . A 39 ILE N . 30739 1 369 . 1 . 1 39 39 ARG H H 1 7.3357 0.0000 . 1 . . . . A 40 ARG H . 30739 1 370 . 1 . 1 39 39 ARG HA H 1 4.1020 0.0000 . 1 . . . . A 40 ARG HA . 30739 1 371 . 1 . 1 39 39 ARG HB2 H 1 1.8635 0.0000 . 2 . . . . A 40 ARG HB2 . 30739 1 372 . 1 . 1 39 39 ARG HG2 H 1 1.8430 0.0000 . 2 . . . . A 40 ARG HG2 . 30739 1 373 . 1 . 1 39 39 ARG HD2 H 1 3.2380 0.0000 . 2 . . . . A 40 ARG HD2 . 30739 1 374 . 1 . 1 39 39 ARG C C 13 178.1826 0.0000 . 1 . . . . A 40 ARG C . 30739 1 375 . 1 . 1 39 39 ARG CA C 13 60.9819 0.0000 . 1 . . . . A 40 ARG CA . 30739 1 376 . 1 . 1 39 39 ARG CB C 13 30.1805 0.0000 . 1 . . . . A 40 ARG CB . 30739 1 377 . 1 . 1 39 39 ARG CG C 13 30.4079 0.0000 . 1 . . . . A 40 ARG CG . 30739 1 378 . 1 . 1 39 39 ARG CD C 13 43.9350 0.0000 . 1 . . . . A 40 ARG CD . 30739 1 379 . 1 . 1 39 39 ARG N N 15 120.0294 0.0000 . 1 . . . . A 40 ARG N . 30739 1 380 . 1 . 1 40 40 MET H H 1 8.0541 0.0000 . 1 . . . . A 41 MET H . 30739 1 381 . 1 . 1 40 40 MET HA H 1 4.1899 0.0000 . 1 . . . . A 41 MET HA . 30739 1 382 . 1 . 1 40 40 MET HB2 H 1 2.1189 0.0000 . 2 . . . . A 41 MET HB2 . 30739 1 383 . 1 . 1 40 40 MET HG2 H 1 2.1355 0.0000 . 2 . . . . A 41 MET HG2 . 30739 1 384 . 1 . 1 40 40 MET HE1 H 1 1.6636 0.0000 . 1 . . . . A 41 MET HE1 . 30739 1 385 . 1 . 1 40 40 MET HE2 H 1 1.6636 0.0000 . 1 . . . . A 41 MET HE2 . 30739 1 386 . 1 . 1 40 40 MET HE3 H 1 1.6636 0.0000 . 1 . . . . A 41 MET HE3 . 30739 1 387 . 1 . 1 40 40 MET C C 13 179.3227 0.0000 . 1 . . . . A 41 MET C . 30739 1 388 . 1 . 1 40 40 MET CA C 13 58.0632 0.0000 . 1 . . . . A 41 MET CA . 30739 1 389 . 1 . 1 40 40 MET CB C 13 31.4471 0.0000 . 1 . . . . A 41 MET CB . 30739 1 390 . 1 . 1 40 40 MET CG C 13 31.1145 0.0000 . 1 . . . . A 41 MET CG . 30739 1 391 . 1 . 1 40 40 MET CE C 13 19.0495 0.0000 . 1 . . . . A 41 MET CE . 30739 1 392 . 1 . 1 40 40 MET N N 15 117.6260 0.0000 . 1 . . . . A 41 MET N . 30739 1 393 . 1 . 1 41 41 ALA H H 1 8.5193 0.0000 . 1 . . . . A 42 ALA H . 30739 1 394 . 1 . 1 41 41 ALA HA H 1 3.8265 0.0000 . 1 . . . . A 42 ALA HA . 30739 1 395 . 1 . 1 41 41 ALA HB1 H 1 1.3706 0.0000 . 1 . . . . A 42 ALA HB1 . 30739 1 396 . 1 . 1 41 41 ALA HB2 H 1 1.3706 0.0000 . 1 . . . . A 42 ALA HB2 . 30739 1 397 . 1 . 1 41 41 ALA HB3 H 1 1.3706 0.0000 . 1 . . . . A 42 ALA HB3 . 30739 1 398 . 1 . 1 41 41 ALA C C 13 179.6383 0.0000 . 1 . . . . A 42 ALA C . 30739 1 399 . 1 . 1 41 41 ALA CA C 13 55.6609 0.0000 . 1 . . . . A 42 ALA CA . 30739 1 400 . 1 . 1 41 41 ALA CB C 13 20.2907 0.0000 . 1 . . . . A 42 ALA CB . 30739 1 401 . 1 . 1 41 41 ALA N N 15 123.6848 0.0000 . 1 . . . . A 42 ALA N . 30739 1 402 . 1 . 1 42 42 ASN H H 1 8.5817 0.0000 . 1 . . . . A 43 ASN H . 30739 1 403 . 1 . 1 42 42 ASN HA H 1 4.3499 0.0000 . 1 . . . . A 43 ASN HA . 30739 1 404 . 1 . 1 42 42 ASN HB2 H 1 2.9188 0.0000 . 2 . . . . A 43 ASN HB2 . 30739 1 405 . 1 . 1 42 42 ASN HB3 H 1 2.4354 0.0000 . 2 . . . . A 43 ASN HB3 . 30739 1 406 . 1 . 1 42 42 ASN HD21 H 1 6.2917 0.0000 . 2 . . . . A 43 ASN HD21 . 30739 1 407 . 1 . 1 42 42 ASN HD22 H 1 7.1621 0.0000 . 2 . . . . A 43 ASN HD22 . 30739 1 408 . 1 . 1 42 42 ASN C C 13 177.8452 0.0000 . 1 . . . . A 43 ASN C . 30739 1 409 . 1 . 1 42 42 ASN CA C 13 56.5754 0.0000 . 1 . . . . A 43 ASN CA . 30739 1 410 . 1 . 1 42 42 ASN CB C 13 38.4428 0.0000 . 1 . . . . A 43 ASN CB . 30739 1 411 . 1 . 1 42 42 ASN N N 15 119.5483 0.0000 . 1 . . . . A 43 ASN N . 30739 1 412 . 1 . 1 42 42 ASN ND2 N 15 109.9038 0.0000 . 1 . . . . A 43 ASN ND2 . 30739 1 413 . 1 . 1 43 43 VAL H H 1 8.5200 0.0000 . 1 . . . . A 44 VAL H . 30739 1 414 . 1 . 1 43 43 VAL HA H 1 3.9802 0.0000 . 1 . . . . A 44 VAL HA . 30739 1 415 . 1 . 1 43 43 VAL HB H 1 2.2209 0.0000 . 1 . . . . A 44 VAL HB . 30739 1 416 . 1 . 1 43 43 VAL HG11 H 1 1.0985 0.0000 . 2 . . . . A 44 VAL HG11 . 30739 1 417 . 1 . 1 43 43 VAL HG12 H 1 1.0985 0.0000 . 2 . . . . A 44 VAL HG12 . 30739 1 418 . 1 . 1 43 43 VAL HG13 H 1 1.0985 0.0000 . 2 . . . . A 44 VAL HG13 . 30739 1 419 . 1 . 1 43 43 VAL HG21 H 1 1.1317 0.0000 . 2 . . . . A 44 VAL HG21 . 30739 1 420 . 1 . 1 43 43 VAL HG22 H 1 1.1317 0.0000 . 2 . . . . A 44 VAL HG22 . 30739 1 421 . 1 . 1 43 43 VAL HG23 H 1 1.1317 0.0000 . 2 . . . . A 44 VAL HG23 . 30739 1 422 . 1 . 1 43 43 VAL C C 13 179.8378 0.0000 . 1 . . . . A 44 VAL C . 30739 1 423 . 1 . 1 43 43 VAL CA C 13 66.6799 0.0000 . 1 . . . . A 44 VAL CA . 30739 1 424 . 1 . 1 43 43 VAL CB C 13 31.9938 0.0000 . 1 . . . . A 44 VAL CB . 30739 1 425 . 1 . 1 43 43 VAL CG1 C 13 22.6152 0.0000 . 2 . . . . A 44 VAL CG1 . 30739 1 426 . 1 . 1 43 43 VAL N N 15 118.5949 0.0000 . 1 . . . . A 44 VAL N . 30739 1 427 . 1 . 1 44 44 SER H H 1 8.0307 0.0000 . 1 . . . . A 45 SER H . 30739 1 428 . 1 . 1 44 44 SER HA H 1 4.4136 0.0000 . 1 . . . . A 45 SER HA . 30739 1 429 . 1 . 1 44 44 SER HB2 H 1 3.8764 0.0000 . 2 . . . . A 45 SER HB2 . 30739 1 430 . 1 . 1 44 44 SER HB3 H 1 3.8359 0.0000 . 2 . . . . A 45 SER HB3 . 30739 1 431 . 1 . 1 44 44 SER C C 13 174.1229 0.0000 . 1 . . . . A 45 SER C . 30739 1 432 . 1 . 1 44 44 SER CA C 13 61.6626 0.0000 . 1 . . . . A 45 SER CA . 30739 1 433 . 1 . 1 44 44 SER CB C 13 64.5531 0.0000 . 1 . . . . A 45 SER CB . 30739 1 434 . 1 . 1 44 44 SER N N 15 113.6996 0.0000 . 1 . . . . A 45 SER N . 30739 1 435 . 1 . 1 45 45 THR H H 1 7.5512 0.0000 . 1 . . . . A 46 THR H . 30739 1 436 . 1 . 1 45 45 THR HA H 1 4.5444 0.0000 . 1 . . . . A 46 THR HA . 30739 1 437 . 1 . 1 45 45 THR HB H 1 4.0467 0.0000 . 1 . . . . A 46 THR HB . 30739 1 438 . 1 . 1 45 45 THR HG21 H 1 1.1297 0.0000 . 1 . . . . A 46 THR HG21 . 30739 1 439 . 1 . 1 45 45 THR HG22 H 1 1.1297 0.0000 . 1 . . . . A 46 THR HG22 . 30739 1 440 . 1 . 1 45 45 THR HG23 H 1 1.1297 0.0000 . 1 . . . . A 46 THR HG23 . 30739 1 441 . 1 . 1 45 45 THR C C 13 174.5394 0.0000 . 1 . . . . A 46 THR C . 30739 1 442 . 1 . 1 45 45 THR CA C 13 62.1880 0.0000 . 1 . . . . A 46 THR CA . 30739 1 443 . 1 . 1 45 45 THR CB C 13 70.4185 0.0000 . 1 . . . . A 46 THR CB . 30739 1 444 . 1 . 1 45 45 THR CG2 C 13 22.5204 0.0000 . 1 . . . . A 46 THR CG2 . 30739 1 445 . 1 . 1 45 45 THR N N 15 106.3331 0.0000 . 1 . . . . A 46 THR N . 30739 1 446 . 1 . 1 46 46 GLY H H 1 7.5691 0.0000 . 1 . . . . A 47 GLY H . 30739 1 447 . 1 . 1 46 46 GLY HA2 H 1 4.1054 0.0000 . 2 . . . . A 47 GLY HA2 . 30739 1 448 . 1 . 1 46 46 GLY HA3 H 1 3.9419 0.0000 . 2 . . . . A 47 GLY HA3 . 30739 1 449 . 1 . 1 46 46 GLY C C 13 174.4864 0.0000 . 1 . . . . A 47 GLY C . 30739 1 450 . 1 . 1 46 46 GLY CA C 13 47.0295 0.0000 . 1 . . . . A 47 GLY CA . 30739 1 451 . 1 . 1 46 46 GLY N N 15 109.4747 0.0000 . 1 . . . . A 47 GLY N . 30739 1 452 . 1 . 1 47 47 ARG H H 1 8.2656 0.0000 . 1 . . . . A 48 ARG H . 30739 1 453 . 1 . 1 47 47 ARG HA H 1 4.3912 0.0000 . 1 . . . . A 48 ARG HA . 30739 1 454 . 1 . 1 47 47 ARG HB2 H 1 1.8016 0.0000 . 2 . . . . A 48 ARG HB2 . 30739 1 455 . 1 . 1 47 47 ARG HG2 H 1 1.8603 0.0000 . 2 . . . . A 48 ARG HG2 . 30739 1 456 . 1 . 1 47 47 ARG HD2 H 1 3.1495 0.0000 . 2 . . . . A 48 ARG HD2 . 30739 1 457 . 1 . 1 47 47 ARG C C 13 175.7729 0.0000 . 1 . . . . A 48 ARG C . 30739 1 458 . 1 . 1 47 47 ARG CA C 13 55.7067 0.0000 . 1 . . . . A 48 ARG CA . 30739 1 459 . 1 . 1 47 47 ARG CB C 13 32.8847 0.0000 . 1 . . . . A 48 ARG CB . 30739 1 460 . 1 . 1 47 47 ARG CG C 13 29.4946 0.0000 . 1 . . . . A 48 ARG CG . 30739 1 461 . 1 . 1 47 47 ARG CD C 13 44.1992 0.0000 . 1 . . . . A 48 ARG CD . 30739 1 462 . 1 . 1 47 47 ARG N N 15 120.7897 0.0000 . 1 . . . . A 48 ARG N . 30739 1 463 . 1 . 1 48 48 GLU H H 1 8.6509 0.0000 . 1 . . . . A 49 GLU H . 30739 1 464 . 1 . 1 48 48 GLU HA H 1 4.3637 0.0000 . 1 . . . . A 49 GLU HA . 30739 1 465 . 1 . 1 48 48 GLU HB2 H 1 2.0577 0.0000 . 2 . . . . A 49 GLU HB2 . 30739 1 466 . 1 . 1 48 48 GLU HG2 H 1 2.3756 0.0000 . 2 . . . . A 49 GLU HG2 . 30739 1 467 . 1 . 1 48 48 GLU C C 13 176.6780 0.0000 . 1 . . . . A 49 GLU C . 30739 1 468 . 1 . 1 48 48 GLU CA C 13 55.3167 0.0000 . 1 . . . . A 49 GLU CA . 30739 1 469 . 1 . 1 48 48 GLU CB C 13 29.1185 0.0000 . 1 . . . . A 49 GLU CB . 30739 1 470 . 1 . 1 48 48 GLU CG C 13 37.2764 0.0000 . 1 . . . . A 49 GLU CG . 30739 1 471 . 1 . 1 48 48 GLU N N 15 122.7292 0.0000 . 1 . . . . A 49 GLU N . 30739 1 472 . 1 . 1 49 49 PRO HA H 1 4.0066 0.0000 . 1 . . . . A 50 PRO HA . 30739 1 473 . 1 . 1 49 49 PRO HB2 H 1 2.0791 0.0000 . 2 . . . . A 50 PRO HB2 . 30739 1 474 . 1 . 1 49 49 PRO HG2 H 1 2.0107 0.0000 . 2 . . . . A 50 PRO HG2 . 30739 1 475 . 1 . 1 49 49 PRO HD2 H 1 3.8243 0.0000 . 2 . . . . A 50 PRO HD2 . 30739 1 476 . 1 . 1 49 49 PRO C C 13 178.0861 0.0000 . 1 . . . . A 50 PRO C . 30739 1 477 . 1 . 1 49 49 PRO CA C 13 66.2491 0.0000 . 1 . . . . A 50 PRO CA . 30739 1 478 . 1 . 1 49 49 PRO CB C 13 32.0302 0.0000 . 1 . . . . A 50 PRO CB . 30739 1 479 . 1 . 1 49 49 PRO CG C 13 28.1839 0.0000 . 1 . . . . A 50 PRO CG . 30739 1 480 . 1 . 1 49 49 PRO CD C 13 50.6590 0.0000 . 1 . . . . A 50 PRO CD . 30739 1 481 . 1 . 1 50 50 GLY H H 1 8.3840 0.0000 . 1 . . . . A 51 GLY H . 30739 1 482 . 1 . 1 50 50 GLY HA2 H 1 4.0855 0.0000 . 2 . . . . A 51 GLY HA2 . 30739 1 483 . 1 . 1 50 50 GLY HA3 H 1 3.6151 0.0000 . 2 . . . . A 51 GLY HA3 . 30739 1 484 . 1 . 1 50 50 GLY C C 13 173.7816 0.0000 . 1 . . . . A 51 GLY C . 30739 1 485 . 1 . 1 50 50 GLY CA C 13 45.5217 0.0000 . 1 . . . . A 51 GLY CA . 30739 1 486 . 1 . 1 50 50 GLY N N 15 102.6699 0.0000 . 1 . . . . A 51 GLY N . 30739 1 487 . 1 . 1 51 51 ASP H H 1 7.1785 0.0000 . 1 . . . . A 52 ASP H . 30739 1 488 . 1 . 1 51 51 ASP HA H 1 4.4222 0.0000 . 1 . . . . A 52 ASP HA . 30739 1 489 . 1 . 1 51 51 ASP HB2 H 1 2.6434 0.0000 . 2 . . . . A 52 ASP HB2 . 30739 1 490 . 1 . 1 51 51 ASP C C 13 175.6281 0.0000 . 1 . . . . A 52 ASP C . 30739 1 491 . 1 . 1 51 51 ASP CA C 13 55.1668 0.0000 . 1 . . . . A 52 ASP CA . 30739 1 492 . 1 . 1 51 51 ASP CB C 13 41.1988 0.0000 . 1 . . . . A 52 ASP CB . 30739 1 493 . 1 . 1 51 51 ASP N N 15 120.5494 0.0000 . 1 . . . . A 52 ASP N . 30739 1 494 . 1 . 1 52 52 ILE H H 1 8.3407 0.0000 . 1 . . . . A 53 ILE H . 30739 1 495 . 1 . 1 52 52 ILE HA H 1 4.4703 0.0000 . 1 . . . . A 53 ILE HA . 30739 1 496 . 1 . 1 52 52 ILE HB H 1 1.8326 0.0000 . 1 . . . . A 53 ILE HB . 30739 1 497 . 1 . 1 52 52 ILE HG12 H 1 1.1931 0.0000 . 2 . . . . A 53 ILE HG12 . 30739 1 498 . 1 . 1 52 52 ILE HG21 H 1 0.6560 0.0000 . 1 . . . . A 53 ILE HG21 . 30739 1 499 . 1 . 1 52 52 ILE HG22 H 1 0.6560 0.0000 . 1 . . . . A 53 ILE HG22 . 30739 1 500 . 1 . 1 52 52 ILE HG23 H 1 0.6560 0.0000 . 1 . . . . A 53 ILE HG23 . 30739 1 501 . 1 . 1 52 52 ILE HD11 H 1 0.3512 0.0000 . 1 . . . . A 53 ILE HD11 . 30739 1 502 . 1 . 1 52 52 ILE HD12 H 1 0.3512 0.0000 . 1 . . . . A 53 ILE HD12 . 30739 1 503 . 1 . 1 52 52 ILE HD13 H 1 0.3512 0.0000 . 1 . . . . A 53 ILE HD13 . 30739 1 504 . 1 . 1 52 52 ILE C C 13 174.4536 0.0000 . 1 . . . . A 53 ILE C . 30739 1 505 . 1 . 1 52 52 ILE CA C 13 57.7908 0.0000 . 1 . . . . A 53 ILE CA . 30739 1 506 . 1 . 1 52 52 ILE CB C 13 39.3753 0.0000 . 1 . . . . A 53 ILE CB . 30739 1 507 . 1 . 1 52 52 ILE CG1 C 13 27.4095 0.0000 . 1 . . . . A 53 ILE CG1 . 30739 1 508 . 1 . 1 52 52 ILE CG2 C 13 17.4176 0.0000 . 1 . . . . A 53 ILE CG2 . 30739 1 509 . 1 . 1 52 52 ILE CD1 C 13 12.0554 0.0000 . 1 . . . . A 53 ILE CD1 . 30739 1 510 . 1 . 1 52 52 ILE N N 15 127.9217 0.0000 . 1 . . . . A 53 ILE N . 30739 1 511 . 1 . 1 53 53 PRO HA H 1 4.6666 0.0000 . 1 . . . . A 54 PRO HA . 30739 1 512 . 1 . 1 53 53 PRO HB2 H 1 2.1514 0.0000 . 2 . . . . A 54 PRO HB2 . 30739 1 513 . 1 . 1 53 53 PRO HG2 H 1 2.1695 0.0000 . 2 . . . . A 54 PRO HG2 . 30739 1 514 . 1 . 1 53 53 PRO HD2 H 1 3.7767 0.0000 . 2 . . . . A 54 PRO HD2 . 30739 1 515 . 1 . 1 53 53 PRO HD3 H 1 3.6612 0.0000 . 2 . . . . A 54 PRO HD3 . 30739 1 516 . 1 . 1 53 53 PRO C C 13 175.5385 0.0000 . 1 . . . . A 54 PRO C . 30739 1 517 . 1 . 1 53 53 PRO CA C 13 63.5644 0.0000 . 1 . . . . A 54 PRO CA . 30739 1 518 . 1 . 1 53 53 PRO CB C 13 32.1775 0.0000 . 1 . . . . A 54 PRO CB . 30739 1 519 . 1 . 1 53 53 PRO CG C 13 29.3336 0.0000 . 1 . . . . A 54 PRO CG . 30739 1 520 . 1 . 1 53 53 PRO CD C 13 51.4167 0.0000 . 1 . . . . A 54 PRO CD . 30739 1 521 . 1 . 1 54 54 GLU H H 1 8.6525 0.0000 . 1 . . . . A 55 GLU H . 30739 1 522 . 1 . 1 54 54 GLU HA H 1 4.5784 0.0000 . 1 . . . . A 55 GLU HA . 30739 1 523 . 1 . 1 54 54 GLU HB2 H 1 2.2071 0.0000 . 2 . . . . A 55 GLU HB2 . 30739 1 524 . 1 . 1 54 54 GLU HG2 H 1 2.5140 0.0000 . 2 . . . . A 55 GLU HG2 . 30739 1 525 . 1 . 1 54 54 GLU C C 13 176.4053 0.0000 . 1 . . . . A 55 GLU C . 30739 1 526 . 1 . 1 54 54 GLU CA C 13 57.6757 0.0000 . 1 . . . . A 55 GLU CA . 30739 1 527 . 1 . 1 54 54 GLU CB C 13 32.6042 0.0000 . 1 . . . . A 55 GLU CB . 30739 1 528 . 1 . 1 54 54 GLU CG C 13 37.9799 0.0000 . 1 . . . . A 55 GLU CG . 30739 1 529 . 1 . 1 54 54 GLU N N 15 120.2666 0.0000 . 1 . . . . A 55 GLU N . 30739 1 530 . 1 . 1 55 55 THR H H 1 7.5708 0.0000 . 1 . . . . A 56 THR H . 30739 1 531 . 1 . 1 55 55 THR HA H 1 4.7995 0.0000 . 1 . . . . A 56 THR HA . 30739 1 532 . 1 . 1 55 55 THR HB H 1 4.8028 0.0000 . 1 . . . . A 56 THR HB . 30739 1 533 . 1 . 1 55 55 THR HG21 H 1 1.1999 0.0000 . 1 . . . . A 56 THR HG21 . 30739 1 534 . 1 . 1 55 55 THR HG22 H 1 1.1999 0.0000 . 1 . . . . A 56 THR HG22 . 30739 1 535 . 1 . 1 55 55 THR HG23 H 1 1.1999 0.0000 . 1 . . . . A 56 THR HG23 . 30739 1 536 . 1 . 1 55 55 THR C C 13 174.5138 0.0000 . 1 . . . . A 56 THR C . 30739 1 537 . 1 . 1 55 55 THR CA C 13 58.7422 0.0000 . 1 . . . . A 56 THR CA . 30739 1 538 . 1 . 1 55 55 THR CB C 13 73.1871 0.0000 . 1 . . . . A 56 THR CB . 30739 1 539 . 1 . 1 55 55 THR CG2 C 13 22.5118 0.0000 . 1 . . . . A 56 THR CG2 . 30739 1 540 . 1 . 1 55 55 THR N N 15 106.0862 0.0000 . 1 . . . . A 56 THR N . 30739 1 541 . 1 . 1 56 56 LEU H H 1 9.1758 0.0000 . 1 . . . . A 57 LEU H . 30739 1 542 . 1 . 1 56 56 LEU HA H 1 4.3736 0.0000 . 1 . . . . A 57 LEU HA . 30739 1 543 . 1 . 1 56 56 LEU HB2 H 1 1.7818 0.0000 . 2 . . . . A 57 LEU HB2 . 30739 1 544 . 1 . 1 56 56 LEU HG H 1 1.2505 0.0000 . 1 . . . . A 57 LEU HG . 30739 1 545 . 1 . 1 56 56 LEU HD11 H 1 0.8969 0.0000 . 2 . . . . A 57 LEU HD11 . 30739 1 546 . 1 . 1 56 56 LEU HD12 H 1 0.8969 0.0000 . 2 . . . . A 57 LEU HD12 . 30739 1 547 . 1 . 1 56 56 LEU HD13 H 1 0.8969 0.0000 . 2 . . . . A 57 LEU HD13 . 30739 1 548 . 1 . 1 56 56 LEU C C 13 178.2248 0.0000 . 1 . . . . A 57 LEU C . 30739 1 549 . 1 . 1 56 56 LEU CA C 13 58.5735 0.0000 . 1 . . . . A 57 LEU CA . 30739 1 550 . 1 . 1 56 56 LEU CB C 13 41.6966 0.0000 . 1 . . . . A 57 LEU CB . 30739 1 551 . 1 . 1 56 56 LEU CG C 13 26.1505 0.0000 . 1 . . . . A 57 LEU CG . 30739 1 552 . 1 . 1 56 56 LEU CD1 C 13 25.5535 0.0000 . 2 . . . . A 57 LEU CD1 . 30739 1 553 . 1 . 1 56 56 LEU N N 15 123.0314 0.0000 . 1 . . . . A 57 LEU N . 30739 1 554 . 1 . 1 57 57 ASP H H 1 8.6554 0.0000 . 1 . . . . A 58 ASP H . 30739 1 555 . 1 . 1 57 57 ASP HA H 1 4.1885 0.0000 . 1 . . . . A 58 ASP HA . 30739 1 556 . 1 . 1 57 57 ASP HB2 H 1 2.6259 0.0000 . 2 . . . . A 58 ASP HB2 . 30739 1 557 . 1 . 1 57 57 ASP C C 13 178.3118 0.0000 . 1 . . . . A 58 ASP C . 30739 1 558 . 1 . 1 57 57 ASP CA C 13 58.7217 0.0000 . 1 . . . . A 58 ASP CA . 30739 1 559 . 1 . 1 57 57 ASP CB C 13 40.7191 0.0000 . 1 . . . . A 58 ASP CB . 30739 1 560 . 1 . 1 57 57 ASP CG C 13 178.3422 0.0000 . 1 . . . . A 58 ASP CG . 30739 1 561 . 1 . 1 57 57 ASP N N 15 118.3041 0.0000 . 1 . . . . A 58 ASP N . 30739 1 562 . 1 . 1 58 58 GLN H H 1 7.6356 0.0000 . 1 . . . . A 59 GLN H . 30739 1 563 . 1 . 1 58 58 GLN HA H 1 4.0786 0.0000 . 1 . . . . A 59 GLN HA . 30739 1 564 . 1 . 1 58 58 GLN HB2 H 1 2.2809 0.0000 . 2 . . . . A 59 GLN HB2 . 30739 1 565 . 1 . 1 58 58 GLN HG2 H 1 2.4823 0.0000 . 2 . . . . A 59 GLN HG2 . 30739 1 566 . 1 . 1 58 58 GLN HE21 H 1 7.1624 0.0000 . 2 . . . . A 59 GLN HE21 . 30739 1 567 . 1 . 1 58 58 GLN HE22 H 1 7.5134 0.0000 . 2 . . . . A 59 GLN HE22 . 30739 1 568 . 1 . 1 58 58 GLN C C 13 179.2360 0.0000 . 1 . . . . A 59 GLN C . 30739 1 569 . 1 . 1 58 58 GLN CA C 13 59.4578 0.0000 . 1 . . . . A 59 GLN CA . 30739 1 570 . 1 . 1 58 58 GLN CB C 13 29.5324 0.0000 . 1 . . . . A 59 GLN CB . 30739 1 571 . 1 . 1 58 58 GLN CG C 13 34.5366 0.0000 . 1 . . . . A 59 GLN CG . 30739 1 572 . 1 . 1 58 58 GLN N N 15 116.8015 0.0000 . 1 . . . . A 59 GLN N . 30739 1 573 . 1 . 1 58 58 GLN NE2 N 15 111.7834 0.0000 . 1 . . . . A 59 GLN NE2 . 30739 1 574 . 1 . 1 59 59 LEU H H 1 8.2119 0.0000 . 1 . . . . A 60 LEU H . 30739 1 575 . 1 . 1 59 59 LEU HA H 1 4.1805 0.0000 . 1 . . . . A 60 LEU HA . 30739 1 576 . 1 . 1 59 59 LEU HB2 H 1 2.2572 0.0000 . 2 . . . . A 60 LEU HB2 . 30739 1 577 . 1 . 1 59 59 LEU HB3 H 1 1.6078 0.0000 . 2 . . . . A 60 LEU HB3 . 30739 1 578 . 1 . 1 59 59 LEU HG H 1 2.0348 0.0000 . 1 . . . . A 60 LEU HG . 30739 1 579 . 1 . 1 59 59 LEU HD11 H 1 1.0574 0.0000 . 2 . . . . A 60 LEU HD11 . 30739 1 580 . 1 . 1 59 59 LEU HD12 H 1 1.0574 0.0000 . 2 . . . . A 60 LEU HD12 . 30739 1 581 . 1 . 1 59 59 LEU HD13 H 1 1.0574 0.0000 . 2 . . . . A 60 LEU HD13 . 30739 1 582 . 1 . 1 59 59 LEU HD21 H 1 0.7635 0.0000 . 2 . . . . A 60 LEU HD21 . 30739 1 583 . 1 . 1 59 59 LEU HD22 H 1 0.7635 0.0000 . 2 . . . . A 60 LEU HD22 . 30739 1 584 . 1 . 1 59 59 LEU HD23 H 1 0.7635 0.0000 . 2 . . . . A 60 LEU HD23 . 30739 1 585 . 1 . 1 59 59 LEU C C 13 177.9443 0.0000 . 1 . . . . A 60 LEU C . 30739 1 586 . 1 . 1 59 59 LEU CA C 13 58.4906 0.0000 . 1 . . . . A 60 LEU CA . 30739 1 587 . 1 . 1 59 59 LEU CB C 13 42.7772 0.0000 . 1 . . . . A 60 LEU CB . 30739 1 588 . 1 . 1 59 59 LEU CG C 13 27.6868 0.0000 . 1 . . . . A 60 LEU CG . 30739 1 589 . 1 . 1 59 59 LEU CD1 C 13 24.5062 0.0000 . 2 . . . . A 60 LEU CD1 . 30739 1 590 . 1 . 1 59 59 LEU CD2 C 13 26.0752 0.0000 . 2 . . . . A 60 LEU CD2 . 30739 1 591 . 1 . 1 59 59 LEU N N 15 120.9051 0.0000 . 1 . . . . A 60 LEU N . 30739 1 592 . 1 . 1 60 60 ARG H H 1 9.2358 0.0000 . 1 . . . . A 61 ARG H . 30739 1 593 . 1 . 1 60 60 ARG HA H 1 4.1727 0.0000 . 1 . . . . A 61 ARG HA . 30739 1 594 . 1 . 1 60 60 ARG HB2 H 1 2.0335 0.0000 . 2 . . . . A 61 ARG HB2 . 30739 1 595 . 1 . 1 60 60 ARG HG2 H 1 2.1546 0.0000 . 2 . . . . A 61 ARG HG2 . 30739 1 596 . 1 . 1 60 60 ARG HD2 H 1 3.2413 0.0000 . 2 . . . . A 61 ARG HD2 . 30739 1 597 . 1 . 1 60 60 ARG C C 13 179.0975 0.0000 . 1 . . . . A 61 ARG C . 30739 1 598 . 1 . 1 60 60 ARG CA C 13 59.8514 0.0000 . 1 . . . . A 61 ARG CA . 30739 1 599 . 1 . 1 60 60 ARG CB C 13 32.1724 0.0000 . 1 . . . . A 61 ARG CB . 30739 1 600 . 1 . 1 60 60 ARG CG C 13 26.3670 0.0000 . 1 . . . . A 61 ARG CG . 30739 1 601 . 1 . 1 60 60 ARG CD C 13 46.3656 0.0000 . 1 . . . . A 61 ARG CD . 30739 1 602 . 1 . 1 60 60 ARG N N 15 118.0685 0.0000 . 1 . . . . A 61 ARG N . 30739 1 603 . 1 . 1 61 61 LEU H H 1 7.6843 0.0000 . 1 . . . . A 62 LEU H . 30739 1 604 . 1 . 1 61 61 LEU HA H 1 4.0384 0.0000 . 1 . . . . A 62 LEU HA . 30739 1 605 . 1 . 1 61 61 LEU HB2 H 1 1.5732 0.0000 . 2 . . . . A 62 LEU HB2 . 30739 1 606 . 1 . 1 61 61 LEU HB3 H 1 1.6292 0.0000 . 2 . . . . A 62 LEU HB3 . 30739 1 607 . 1 . 1 61 61 LEU HG H 1 1.8770 0.0000 . 1 . . . . A 62 LEU HG . 30739 1 608 . 1 . 1 61 61 LEU HD11 H 1 1.0093 0.0000 . 2 . . . . A 62 LEU HD11 . 30739 1 609 . 1 . 1 61 61 LEU HD12 H 1 1.0093 0.0000 . 2 . . . . A 62 LEU HD12 . 30739 1 610 . 1 . 1 61 61 LEU HD13 H 1 1.0093 0.0000 . 2 . . . . A 62 LEU HD13 . 30739 1 611 . 1 . 1 61 61 LEU C C 13 178.1159 0.0000 . 1 . . . . A 62 LEU C . 30739 1 612 . 1 . 1 61 61 LEU CA C 13 59.4123 0.0000 . 1 . . . . A 62 LEU CA . 30739 1 613 . 1 . 1 61 61 LEU CB C 13 41.8545 0.0000 . 1 . . . . A 62 LEU CB . 30739 1 614 . 1 . 1 61 61 LEU CG C 13 27.5402 0.0000 . 1 . . . . A 62 LEU CG . 30739 1 615 . 1 . 1 61 61 LEU CD1 C 13 25.2693 0.0000 . 2 . . . . A 62 LEU CD1 . 30739 1 616 . 1 . 1 61 61 LEU N N 15 118.4500 0.0000 . 1 . . . . A 62 LEU N . 30739 1 617 . 1 . 1 62 62 VAL H H 1 7.4234 0.0000 . 1 . . . . A 63 VAL H . 30739 1 618 . 1 . 1 62 62 VAL HA H 1 3.6145 0.0000 . 1 . . . . A 63 VAL HA . 30739 1 619 . 1 . 1 62 62 VAL HB H 1 2.3811 0.0000 . 1 . . . . A 63 VAL HB . 30739 1 620 . 1 . 1 62 62 VAL HG11 H 1 1.0607 0.0000 . 2 . . . . A 63 VAL HG11 . 30739 1 621 . 1 . 1 62 62 VAL HG12 H 1 1.0607 0.0000 . 2 . . . . A 63 VAL HG12 . 30739 1 622 . 1 . 1 62 62 VAL HG13 H 1 1.0607 0.0000 . 2 . . . . A 63 VAL HG13 . 30739 1 623 . 1 . 1 62 62 VAL C C 13 177.8304 0.0000 . 1 . . . . A 63 VAL C . 30739 1 624 . 1 . 1 62 62 VAL CA C 13 67.6109 0.0000 . 1 . . . . A 63 VAL CA . 30739 1 625 . 1 . 1 62 62 VAL CB C 13 32.2599 0.0000 . 1 . . . . A 63 VAL CB . 30739 1 626 . 1 . 1 62 62 VAL CG1 C 13 22.8206 0.0000 . 2 . . . . A 63 VAL CG1 . 30739 1 627 . 1 . 1 62 62 VAL N N 15 118.9208 0.0000 . 1 . . . . A 63 VAL N . 30739 1 628 . 1 . 1 63 63 ILE H H 1 8.3269 0.0000 . 1 . . . . A 64 ILE H . 30739 1 629 . 1 . 1 63 63 ILE HA H 1 3.6167 0.0000 . 1 . . . . A 64 ILE HA . 30739 1 630 . 1 . 1 63 63 ILE HB H 1 2.0902 0.0000 . 1 . . . . A 64 ILE HB . 30739 1 631 . 1 . 1 63 63 ILE HG21 H 1 0.9285 0.0000 . 1 . . . . A 64 ILE HG21 . 30739 1 632 . 1 . 1 63 63 ILE HG22 H 1 0.9285 0.0000 . 1 . . . . A 64 ILE HG22 . 30739 1 633 . 1 . 1 63 63 ILE HG23 H 1 0.9285 0.0000 . 1 . . . . A 64 ILE HG23 . 30739 1 634 . 1 . 1 63 63 ILE HD11 H 1 0.8027 0.0000 . 1 . . . . A 64 ILE HD11 . 30739 1 635 . 1 . 1 63 63 ILE HD12 H 1 0.8027 0.0000 . 1 . . . . A 64 ILE HD12 . 30739 1 636 . 1 . 1 63 63 ILE HD13 H 1 0.8027 0.0000 . 1 . . . . A 64 ILE HD13 . 30739 1 637 . 1 . 1 63 63 ILE C C 13 178.2415 0.0000 . 1 . . . . A 64 ILE C . 30739 1 638 . 1 . 1 63 63 ILE CA C 13 67.8578 0.0000 . 1 . . . . A 64 ILE CA . 30739 1 639 . 1 . 1 63 63 ILE CB C 13 38.2417 0.0000 . 1 . . . . A 64 ILE CB . 30739 1 640 . 1 . 1 63 63 ILE CG1 C 13 23.7540 0.0000 . 1 . . . . A 64 ILE CG1 . 30739 1 641 . 1 . 1 63 63 ILE CG2 C 13 18.8225 0.0000 . 1 . . . . A 64 ILE CG2 . 30739 1 642 . 1 . 1 63 63 ILE CD1 C 13 14.2438 0.0000 . 1 . . . . A 64 ILE CD1 . 30739 1 643 . 1 . 1 63 63 ILE N N 15 119.6695 0.0000 . 1 . . . . A 64 ILE N . 30739 1 644 . 1 . 1 64 64 CYS H H 1 8.9939 0.0000 . 1 . . . . A 65 CYS H . 30739 1 645 . 1 . 1 64 64 CYS HA H 1 4.3543 0.0000 . 1 . . . . A 65 CYS HA . 30739 1 646 . 1 . 1 64 64 CYS HB2 H 1 3.1060 0.0000 . 2 . . . . A 65 CYS HB2 . 30739 1 647 . 1 . 1 64 64 CYS C C 13 177.5382 0.0000 . 1 . . . . A 65 CYS C . 30739 1 648 . 1 . 1 64 64 CYS CA C 13 64.6915 0.0000 . 1 . . . . A 65 CYS CA . 30739 1 649 . 1 . 1 64 64 CYS CB C 13 27.0510 0.0000 . 1 . . . . A 65 CYS CB . 30739 1 650 . 1 . 1 64 64 CYS N N 15 118.4986 0.0000 . 1 . . . . A 65 CYS N . 30739 1 651 . 1 . 1 65 65 ASP H H 1 8.4758 0.0000 . 1 . . . . A 66 ASP H . 30739 1 652 . 1 . 1 65 65 ASP HA H 1 4.2557 0.0000 . 1 . . . . A 66 ASP HA . 30739 1 653 . 1 . 1 65 65 ASP HB2 H 1 3.0743 0.0000 . 2 . . . . A 66 ASP HB2 . 30739 1 654 . 1 . 1 65 65 ASP C C 13 179.3466 0.0000 . 1 . . . . A 66 ASP C . 30739 1 655 . 1 . 1 65 65 ASP CA C 13 58.5743 0.0000 . 1 . . . . A 66 ASP CA . 30739 1 656 . 1 . 1 65 65 ASP CB C 13 41.0569 0.0000 . 1 . . . . A 66 ASP CB . 30739 1 657 . 1 . 1 65 65 ASP N N 15 120.9942 0.0000 . 1 . . . . A 66 ASP N . 30739 1 658 . 1 . 1 66 66 LEU H H 1 8.6332 0.0000 . 1 . . . . A 67 LEU H . 30739 1 659 . 1 . 1 66 66 LEU HA H 1 4.0779 0.0000 . 1 . . . . A 67 LEU HA . 30739 1 660 . 1 . 1 66 66 LEU HB2 H 1 1.7448 0.0000 . 2 . . . . A 67 LEU HB2 . 30739 1 661 . 1 . 1 66 66 LEU HG H 1 1.8019 0.0000 . 1 . . . . A 67 LEU HG . 30739 1 662 . 1 . 1 66 66 LEU HD11 H 1 0.9446 0.0000 . 2 . . . . A 67 LEU HD11 . 30739 1 663 . 1 . 1 66 66 LEU HD12 H 1 0.9446 0.0000 . 2 . . . . A 67 LEU HD12 . 30739 1 664 . 1 . 1 66 66 LEU HD13 H 1 0.9446 0.0000 . 2 . . . . A 67 LEU HD13 . 30739 1 665 . 1 . 1 66 66 LEU C C 13 178.6837 0.0000 . 1 . . . . A 67 LEU C . 30739 1 666 . 1 . 1 66 66 LEU CA C 13 58.3666 0.0000 . 1 . . . . A 67 LEU CA . 30739 1 667 . 1 . 1 66 66 LEU CB C 13 43.1553 0.0000 . 1 . . . . A 67 LEU CB . 30739 1 668 . 1 . 1 66 66 LEU CG C 13 26.8473 0.0000 . 1 . . . . A 67 LEU CG . 30739 1 669 . 1 . 1 66 66 LEU CD1 C 13 25.9288 0.0000 . 2 . . . . A 67 LEU CD1 . 30739 1 670 . 1 . 1 66 66 LEU N N 15 122.5772 0.0000 . 1 . . . . A 67 LEU N . 30739 1 671 . 1 . 1 67 67 GLN H H 1 9.0235 0.0000 . 1 . . . . A 68 GLN H . 30739 1 672 . 1 . 1 67 67 GLN HA H 1 4.0712 0.0000 . 1 . . . . A 68 GLN HA . 30739 1 673 . 1 . 1 67 67 GLN HB2 H 1 2.3877 0.0000 . 2 . . . . A 68 GLN HB2 . 30739 1 674 . 1 . 1 67 67 GLN HB3 H 1 2.3349 0.0000 . 2 . . . . A 68 GLN HB3 . 30739 1 675 . 1 . 1 67 67 GLN HG2 H 1 2.7112 0.0000 . 2 . . . . A 68 GLN HG2 . 30739 1 676 . 1 . 1 67 67 GLN HG3 H 1 2.4066 0.0000 . 2 . . . . A 68 GLN HG3 . 30739 1 677 . 1 . 1 67 67 GLN HE22 H 1 7.5880 0.0000 . 2 . . . . A 68 GLN HE22 . 30739 1 678 . 1 . 1 67 67 GLN C C 13 178.7880 0.0000 . 1 . . . . A 68 GLN C . 30739 1 679 . 1 . 1 67 67 GLN CA C 13 60.7928 0.0000 . 1 . . . . A 68 GLN CA . 30739 1 680 . 1 . 1 67 67 GLN CB C 13 28.3165 0.0000 . 1 . . . . A 68 GLN CB . 30739 1 681 . 1 . 1 67 67 GLN CG C 13 36.1756 0.0000 . 1 . . . . A 68 GLN CG . 30739 1 682 . 1 . 1 67 67 GLN N N 15 119.4255 0.0000 . 1 . . . . A 68 GLN N . 30739 1 683 . 1 . 1 67 67 GLN NE2 N 15 111.1170 0.0000 . 1 . . . . A 68 GLN NE2 . 30739 1 684 . 1 . 1 68 68 GLU H H 1 8.4635 0.0000 . 1 . . . . A 69 GLU H . 30739 1 685 . 1 . 1 68 68 GLU HA H 1 4.2749 0.0000 . 1 . . . . A 69 GLU HA . 30739 1 686 . 1 . 1 68 68 GLU HB2 H 1 2.2127 0.0000 . 2 . . . . A 69 GLU HB2 . 30739 1 687 . 1 . 1 68 68 GLU HG2 H 1 2.3976 0.0000 . 2 . . . . A 69 GLU HG2 . 30739 1 688 . 1 . 1 68 68 GLU HG3 H 1 2.0412 0.0000 . 2 . . . . A 69 GLU HG3 . 30739 1 689 . 1 . 1 68 68 GLU C C 13 179.0141 0.0000 . 1 . . . . A 69 GLU C . 30739 1 690 . 1 . 1 68 68 GLU CA C 13 60.1460 0.0000 . 1 . . . . A 69 GLU CA . 30739 1 691 . 1 . 1 68 68 GLU CB C 13 29.8778 0.0000 . 1 . . . . A 69 GLU CB . 30739 1 692 . 1 . 1 68 68 GLU CG C 13 37.4563 0.0000 . 1 . . . . A 69 GLU CG . 30739 1 693 . 1 . 1 68 68 GLU N N 15 120.6706 0.0000 . 1 . . . . A 69 GLU N . 30739 1 694 . 1 . 1 69 69 ARG H H 1 7.8965 0.0000 . 1 . . . . A 70 ARG H . 30739 1 695 . 1 . 1 69 69 ARG HA H 1 4.2611 0.0000 . 1 . . . . A 70 ARG HA . 30739 1 696 . 1 . 1 69 69 ARG HB2 H 1 2.0970 0.0000 . 2 . . . . A 70 ARG HB2 . 30739 1 697 . 1 . 1 69 69 ARG HG2 H 1 1.7864 0.0000 . 2 . . . . A 70 ARG HG2 . 30739 1 698 . 1 . 1 69 69 ARG HD2 H 1 3.2470 0.0000 . 2 . . . . A 70 ARG HD2 . 30739 1 699 . 1 . 1 69 69 ARG C C 13 178.3491 0.0000 . 1 . . . . A 70 ARG C . 30739 1 700 . 1 . 1 69 69 ARG CA C 13 60.0373 0.0000 . 1 . . . . A 70 ARG CA . 30739 1 701 . 1 . 1 69 69 ARG CB C 13 30.0686 0.0000 . 1 . . . . A 70 ARG CB . 30739 1 702 . 1 . 1 69 69 ARG CG C 13 27.7801 0.0000 . 1 . . . . A 70 ARG CG . 30739 1 703 . 1 . 1 69 69 ARG CD C 13 44.3817 0.0000 . 1 . . . . A 70 ARG CD . 30739 1 704 . 1 . 1 69 69 ARG N N 15 119.6194 0.0000 . 1 . . . . A 70 ARG N . 30739 1 705 . 1 . 1 70 70 ARG H H 1 8.2441 0.0000 . 1 . . . . A 71 ARG H . 30739 1 706 . 1 . 1 70 70 ARG HA H 1 4.1744 0.0000 . 1 . . . . A 71 ARG HA . 30739 1 707 . 1 . 1 70 70 ARG HB2 H 1 2.0974 0.0000 . 2 . . . . A 71 ARG HB2 . 30739 1 708 . 1 . 1 70 70 ARG HG2 H 1 1.7481 0.0000 . 2 . . . . A 71 ARG HG2 . 30739 1 709 . 1 . 1 70 70 ARG HD2 H 1 3.1581 0.0000 . 2 . . . . A 71 ARG HD2 . 30739 1 710 . 1 . 1 70 70 ARG C C 13 178.5658 0.0000 . 1 . . . . A 71 ARG C . 30739 1 711 . 1 . 1 70 70 ARG CA C 13 59.3432 0.0000 . 1 . . . . A 71 ARG CA . 30739 1 712 . 1 . 1 70 70 ARG CB C 13 30.7771 0.0000 . 1 . . . . A 71 ARG CB . 30739 1 713 . 1 . 1 70 70 ARG CG C 13 26.8160 0.0000 . 1 . . . . A 71 ARG CG . 30739 1 714 . 1 . 1 70 70 ARG CD C 13 44.8917 0.0000 . 1 . . . . A 71 ARG CD . 30739 1 715 . 1 . 1 70 70 ARG N N 15 120.2748 0.0000 . 1 . . . . A 71 ARG N . 30739 1 716 . 1 . 1 71 71 GLU H H 1 8.0098 0.0000 . 1 . . . . A 72 GLU H . 30739 1 717 . 1 . 1 71 71 GLU HA H 1 4.1077 0.0000 . 1 . . . . A 72 GLU HA . 30739 1 718 . 1 . 1 71 71 GLU HB2 H 1 2.2092 0.0000 . 2 . . . . A 72 GLU HB2 . 30739 1 719 . 1 . 1 71 71 GLU HG2 H 1 2.3451 0.0000 . 2 . . . . A 72 GLU HG2 . 30739 1 720 . 1 . 1 71 71 GLU C C 13 177.8461 0.0000 . 1 . . . . A 72 GLU C . 30739 1 721 . 1 . 1 71 71 GLU CA C 13 59.3348 0.0000 . 1 . . . . A 72 GLU CA . 30739 1 722 . 1 . 1 71 71 GLU CB C 13 30.1408 0.0000 . 1 . . . . A 72 GLU CB . 30739 1 723 . 1 . 1 71 71 GLU CG C 13 37.4246 0.0000 . 1 . . . . A 72 GLU CG . 30739 1 724 . 1 . 1 71 71 GLU N N 15 118.7768 0.0000 . 1 . . . . A 72 GLU N . 30739 1 725 . 1 . 1 72 72 LYS H H 1 7.8134 0.0000 . 1 . . . . A 73 LYS H . 30739 1 726 . 1 . 1 72 72 LYS HA H 1 4.1390 0.0000 . 1 . . . . A 73 LYS HA . 30739 1 727 . 1 . 1 72 72 LYS HB2 H 1 1.5815 0.0000 . 2 . . . . A 73 LYS HB2 . 30739 1 728 . 1 . 1 72 72 LYS HG2 H 1 1.2074 0.0000 . 2 . . . . A 73 LYS HG2 . 30739 1 729 . 1 . 1 72 72 LYS HD2 H 1 1.6329 0.0000 . 2 . . . . A 73 LYS HD2 . 30739 1 730 . 1 . 1 72 72 LYS HE2 H 1 2.9240 0.0000 . 2 . . . . A 73 LYS HE2 . 30739 1 731 . 1 . 1 72 72 LYS C C 13 177.9704 0.0000 . 1 . . . . A 73 LYS C . 30739 1 732 . 1 . 1 72 72 LYS CA C 13 59.0074 0.0000 . 1 . . . . A 73 LYS CA . 30739 1 733 . 1 . 1 72 72 LYS CB C 13 34.0729 0.0000 . 1 . . . . A 73 LYS CB . 30739 1 734 . 1 . 1 72 72 LYS CG C 13 25.0252 0.0000 . 1 . . . . A 73 LYS CG . 30739 1 735 . 1 . 1 72 72 LYS CD C 13 28.8915 0.0000 . 1 . . . . A 73 LYS CD . 30739 1 736 . 1 . 1 72 72 LYS CE C 13 42.4080 0.0000 . 1 . . . . A 73 LYS CE . 30739 1 737 . 1 . 1 72 72 LYS N N 15 117.2113 0.0000 . 1 . . . . A 73 LYS N . 30739 1 738 . 1 . 1 73 73 PHE H H 1 8.5167 0.0000 . 1 . . . . A 74 PHE H . 30739 1 739 . 1 . 1 73 73 PHE HA H 1 4.8941 0.0000 . 1 . . . . A 74 PHE HA . 30739 1 740 . 1 . 1 73 73 PHE HB2 H 1 3.4765 0.0000 . 2 . . . . A 74 PHE HB2 . 30739 1 741 . 1 . 1 73 73 PHE HB3 H 1 3.0556 0.0000 . 2 . . . . A 74 PHE HB3 . 30739 1 742 . 1 . 1 73 73 PHE HD1 H 1 7.4827 0.0000 . 3 . . . . A 74 PHE HD1 . 30739 1 743 . 1 . 1 73 73 PHE C C 13 176.6113 0.0000 . 1 . . . . A 74 PHE C . 30739 1 744 . 1 . 1 73 73 PHE CA C 13 58.7328 0.0000 . 1 . . . . A 74 PHE CA . 30739 1 745 . 1 . 1 73 73 PHE CB C 13 41.0090 0.0000 . 1 . . . . A 74 PHE CB . 30739 1 746 . 1 . 1 73 73 PHE CD1 C 13 131.9063 0.0000 . 3 . . . . A 74 PHE CD1 . 30739 1 747 . 1 . 1 73 73 PHE N N 15 114.9922 0.0000 . 1 . . . . A 74 PHE N . 30739 1 748 . 1 . 1 74 74 GLY H H 1 7.7978 0.0000 . 1 . . . . A 75 GLY H . 30739 1 749 . 1 . 1 74 74 GLY HA2 H 1 3.9517 0.0000 . 2 . . . . A 75 GLY HA2 . 30739 1 750 . 1 . 1 74 74 GLY C C 13 173.0773 0.0000 . 1 . . . . A 75 GLY C . 30739 1 751 . 1 . 1 74 74 GLY CA C 13 45.1164 0.0000 . 1 . . . . A 75 GLY CA . 30739 1 752 . 1 . 1 74 74 GLY N N 15 109.8581 0.0000 . 1 . . . . A 75 GLY N . 30739 1 753 . 1 . 1 75 75 SER H H 1 8.3981 0.0000 . 1 . . . . A 76 SER H . 30739 1 754 . 1 . 1 75 75 SER HA H 1 4.6051 0.0000 . 1 . . . . A 76 SER HA . 30739 1 755 . 1 . 1 75 75 SER HB2 H 1 3.9181 0.0000 . 2 . . . . A 76 SER HB2 . 30739 1 756 . 1 . 1 75 75 SER C C 13 174.3520 0.0000 . 1 . . . . A 76 SER C . 30739 1 757 . 1 . 1 75 75 SER CA C 13 57.8973 0.0000 . 1 . . . . A 76 SER CA . 30739 1 758 . 1 . 1 75 75 SER CB C 13 65.3541 0.0000 . 1 . . . . A 76 SER CB . 30739 1 759 . 1 . 1 75 75 SER N N 15 113.1554 0.0000 . 1 . . . . A 76 SER N . 30739 1 760 . 1 . 1 76 76 SER H H 1 8.1095 0.0000 . 1 . . . . A 77 SER H . 30739 1 761 . 1 . 1 76 76 SER HA H 1 4.6444 0.0000 . 1 . . . . A 77 SER HA . 30739 1 762 . 1 . 1 76 76 SER HB2 H 1 3.9229 0.0000 . 2 . . . . A 77 SER HB2 . 30739 1 763 . 1 . 1 76 76 SER C C 13 174.3173 0.0000 . 1 . . . . A 77 SER C . 30739 1 764 . 1 . 1 76 76 SER CA C 13 57.5771 0.0000 . 1 . . . . A 77 SER CA . 30739 1 765 . 1 . 1 76 76 SER CB C 13 66.4774 0.0000 . 1 . . . . A 77 SER CB . 30739 1 766 . 1 . 1 76 76 SER N N 15 115.0483 0.0000 . 1 . . . . A 77 SER N . 30739 1 767 . 1 . 1 77 77 LYS H H 1 9.0482 0.0000 . 1 . . . . A 78 LYS H . 30739 1 768 . 1 . 1 77 77 LYS HA H 1 4.3163 0.0000 . 1 . . . . A 78 LYS HA . 30739 1 769 . 1 . 1 77 77 LYS HB2 H 1 1.9365 0.0000 . 2 . . . . A 78 LYS HB2 . 30739 1 770 . 1 . 1 77 77 LYS HG2 H 1 1.6317 0.0000 . 2 . . . . A 78 LYS HG2 . 30739 1 771 . 1 . 1 77 77 LYS HD2 H 1 1.8111 0.0000 . 2 . . . . A 78 LYS HD2 . 30739 1 772 . 1 . 1 77 77 LYS HE2 H 1 3.2411 0.0000 . 2 . . . . A 78 LYS HE2 . 30739 1 773 . 1 . 1 77 77 LYS C C 13 179.3493 0.0000 . 1 . . . . A 78 LYS C . 30739 1 774 . 1 . 1 77 77 LYS CA C 13 60.2978 0.0000 . 1 . . . . A 78 LYS CA . 30739 1 775 . 1 . 1 77 77 LYS CB C 13 32.4710 0.0000 . 1 . . . . A 78 LYS CB . 30739 1 776 . 1 . 1 77 77 LYS CG C 13 25.6599 0.0000 . 1 . . . . A 78 LYS CG . 30739 1 777 . 1 . 1 77 77 LYS CD C 13 28.8394 0.0000 . 1 . . . . A 78 LYS CD . 30739 1 778 . 1 . 1 77 77 LYS CE C 13 44.2959 0.0000 . 1 . . . . A 78 LYS CE . 30739 1 779 . 1 . 1 77 77 LYS N N 15 122.4296 0.0000 . 1 . . . . A 78 LYS N . 30739 1 780 . 1 . 1 78 78 GLU H H 1 8.7581 0.0000 . 1 . . . . A 79 GLU H . 30739 1 781 . 1 . 1 78 78 GLU HA H 1 4.3145 0.0000 . 1 . . . . A 79 GLU HA . 30739 1 782 . 1 . 1 78 78 GLU HB2 H 1 2.2845 0.0000 . 2 . . . . A 79 GLU HB2 . 30739 1 783 . 1 . 1 78 78 GLU HG2 H 1 2.5815 0.0000 . 2 . . . . A 79 GLU HG2 . 30739 1 784 . 1 . 1 78 78 GLU C C 13 178.3992 0.0000 . 1 . . . . A 79 GLU C . 30739 1 785 . 1 . 1 78 78 GLU CA C 13 61.5584 0.0000 . 1 . . . . A 79 GLU CA . 30739 1 786 . 1 . 1 78 78 GLU CB C 13 30.1690 0.0000 . 1 . . . . A 79 GLU CB . 30739 1 787 . 1 . 1 78 78 GLU CG C 13 38.3655 0.0000 . 1 . . . . A 79 GLU CG . 30739 1 788 . 1 . 1 78 78 GLU N N 15 118.0923 0.0000 . 1 . . . . A 79 GLU N . 30739 1 789 . 1 . 1 79 79 ILE H H 1 7.8749 0.0000 . 1 . . . . A 80 ILE H . 30739 1 790 . 1 . 1 79 79 ILE HA H 1 3.8036 0.0000 . 1 . . . . A 80 ILE HA . 30739 1 791 . 1 . 1 79 79 ILE HB H 1 2.0374 0.0000 . 1 . . . . A 80 ILE HB . 30739 1 792 . 1 . 1 79 79 ILE HG12 H 1 1.5396 0.0000 . 2 . . . . A 80 ILE HG12 . 30739 1 793 . 1 . 1 79 79 ILE HG21 H 1 1.0491 0.0000 . 1 . . . . A 80 ILE HG21 . 30739 1 794 . 1 . 1 79 79 ILE HG22 H 1 1.0491 0.0000 . 1 . . . . A 80 ILE HG22 . 30739 1 795 . 1 . 1 79 79 ILE HG23 H 1 1.0491 0.0000 . 1 . . . . A 80 ILE HG23 . 30739 1 796 . 1 . 1 79 79 ILE HD11 H 1 0.9111 0.0000 . 1 . . . . A 80 ILE HD11 . 30739 1 797 . 1 . 1 79 79 ILE HD12 H 1 0.9111 0.0000 . 1 . . . . A 80 ILE HD12 . 30739 1 798 . 1 . 1 79 79 ILE HD13 H 1 0.9111 0.0000 . 1 . . . . A 80 ILE HD13 . 30739 1 799 . 1 . 1 79 79 ILE C C 13 177.5657 0.0000 . 1 . . . . A 80 ILE C . 30739 1 800 . 1 . 1 79 79 ILE CA C 13 65.5917 0.0000 . 1 . . . . A 80 ILE CA . 30739 1 801 . 1 . 1 79 79 ILE CB C 13 37.6362 0.0000 . 1 . . . . A 80 ILE CB . 30739 1 802 . 1 . 1 79 79 ILE CG1 C 13 28.2556 0.0000 . 1 . . . . A 80 ILE CG1 . 30739 1 803 . 1 . 1 79 79 ILE CG2 C 13 18.2635 0.0000 . 1 . . . . A 80 ILE CG2 . 30739 1 804 . 1 . 1 79 79 ILE CD1 C 13 13.1675 0.0000 . 1 . . . . A 80 ILE CD1 . 30739 1 805 . 1 . 1 79 79 ILE N N 15 120.5630 0.0000 . 1 . . . . A 80 ILE N . 30739 1 806 . 1 . 1 80 80 ASP H H 1 8.3981 0.0000 . 1 . . . . A 81 ASP H . 30739 1 807 . 1 . 1 80 80 ASP HA H 1 4.4548 0.0000 . 1 . . . . A 81 ASP HA . 30739 1 808 . 1 . 1 80 80 ASP HB2 H 1 2.8115 0.0000 . 2 . . . . A 81 ASP HB2 . 30739 1 809 . 1 . 1 80 80 ASP C C 13 179.5667 0.0000 . 1 . . . . A 81 ASP C . 30739 1 810 . 1 . 1 80 80 ASP CA C 13 58.6257 0.0000 . 1 . . . . A 81 ASP CA . 30739 1 811 . 1 . 1 80 80 ASP CB C 13 40.1029 0.0000 . 1 . . . . A 81 ASP CB . 30739 1 812 . 1 . 1 80 80 ASP N N 15 120.7547 0.0000 . 1 . . . . A 81 ASP N . 30739 1 813 . 1 . 1 81 81 MET H H 1 8.2085 0.0000 . 1 . . . . A 82 MET H . 30739 1 814 . 1 . 1 81 81 MET HA H 1 4.5310 0.0000 . 1 . . . . A 82 MET HA . 30739 1 815 . 1 . 1 81 81 MET HB2 H 1 2.4966 0.0000 . 2 . . . . A 82 MET HB2 . 30739 1 816 . 1 . 1 81 81 MET HG2 H 1 2.5945 0.0000 . 2 . . . . A 82 MET HG2 . 30739 1 817 . 1 . 1 81 81 MET HE1 H 1 2.1224 0.0000 . 1 . . . . A 82 MET HE1 . 30739 1 818 . 1 . 1 81 81 MET HE2 H 1 2.1224 0.0000 . 1 . . . . A 82 MET HE2 . 30739 1 819 . 1 . 1 81 81 MET HE3 H 1 2.1224 0.0000 . 1 . . . . A 82 MET HE3 . 30739 1 820 . 1 . 1 81 81 MET C C 13 179.7538 0.0000 . 1 . . . . A 82 MET C . 30739 1 821 . 1 . 1 81 81 MET CA C 13 58.1798 0.0000 . 1 . . . . A 82 MET CA . 30739 1 822 . 1 . 1 81 81 MET CB C 13 32.8544 0.0000 . 1 . . . . A 82 MET CB . 30739 1 823 . 1 . 1 81 81 MET CG C 13 33.4153 0.0000 . 1 . . . . A 82 MET CG . 30739 1 824 . 1 . 1 81 81 MET CE C 13 18.8834 0.0000 . 1 . . . . A 82 MET CE . 30739 1 825 . 1 . 1 81 81 MET N N 15 118.7783 0.0000 . 1 . . . . A 82 MET N . 30739 1 826 . 1 . 1 82 82 ALA H H 1 8.9898 0.0000 . 1 . . . . A 83 ALA H . 30739 1 827 . 1 . 1 82 82 ALA HA H 1 4.1814 0.0000 . 1 . . . . A 83 ALA HA . 30739 1 828 . 1 . 1 82 82 ALA HB1 H 1 1.5000 0.0000 . 1 . . . . A 83 ALA HB1 . 30739 1 829 . 1 . 1 82 82 ALA HB2 H 1 1.5000 0.0000 . 1 . . . . A 83 ALA HB2 . 30739 1 830 . 1 . 1 82 82 ALA HB3 H 1 1.5000 0.0000 . 1 . . . . A 83 ALA HB3 . 30739 1 831 . 1 . 1 82 82 ALA C C 13 178.7347 0.0000 . 1 . . . . A 83 ALA C . 30739 1 832 . 1 . 1 82 82 ALA CA C 13 57.0336 0.0000 . 1 . . . . A 83 ALA CA . 30739 1 833 . 1 . 1 82 82 ALA CB C 13 17.9412 0.0000 . 1 . . . . A 83 ALA CB . 30739 1 834 . 1 . 1 82 82 ALA N N 15 127.1915 0.0000 . 1 . . . . A 83 ALA N . 30739 1 835 . 1 . 1 83 83 ILE H H 1 8.4828 0.0000 . 1 . . . . A 84 ILE H . 30739 1 836 . 1 . 1 83 83 ILE HA H 1 3.4642 0.0000 . 1 . . . . A 84 ILE HA . 30739 1 837 . 1 . 1 83 83 ILE HB H 1 2.0112 0.0000 . 1 . . . . A 84 ILE HB . 30739 1 838 . 1 . 1 83 83 ILE HG21 H 1 1.0095 0.0000 . 1 . . . . A 84 ILE HG21 . 30739 1 839 . 1 . 1 83 83 ILE HG22 H 1 1.0095 0.0000 . 1 . . . . A 84 ILE HG22 . 30739 1 840 . 1 . 1 83 83 ILE HG23 H 1 1.0095 0.0000 . 1 . . . . A 84 ILE HG23 . 30739 1 841 . 1 . 1 83 83 ILE HD11 H 1 0.9338 0.0000 . 1 . . . . A 84 ILE HD11 . 30739 1 842 . 1 . 1 83 83 ILE HD12 H 1 0.9338 0.0000 . 1 . . . . A 84 ILE HD12 . 30739 1 843 . 1 . 1 83 83 ILE HD13 H 1 0.9338 0.0000 . 1 . . . . A 84 ILE HD13 . 30739 1 844 . 1 . 1 83 83 ILE C C 13 177.4745 0.0000 . 1 . . . . A 84 ILE C . 30739 1 845 . 1 . 1 83 83 ILE CA C 13 67.8346 0.0000 . 1 . . . . A 84 ILE CA . 30739 1 846 . 1 . 1 83 83 ILE CB C 13 36.6843 0.0000 . 1 . . . . A 84 ILE CB . 30739 1 847 . 1 . 1 83 83 ILE CG2 C 13 18.8818 0.0000 . 1 . . . . A 84 ILE CG2 . 30739 1 848 . 1 . 1 83 83 ILE CD1 C 13 15.1098 0.0000 . 1 . . . . A 84 ILE CD1 . 30739 1 849 . 1 . 1 83 83 ILE N N 15 116.8299 0.0000 . 1 . . . . A 84 ILE N . 30739 1 850 . 1 . 1 84 84 VAL H H 1 7.8282 0.0000 . 1 . . . . A 85 VAL H . 30739 1 851 . 1 . 1 84 84 VAL HA H 1 3.5622 0.0000 . 1 . . . . A 85 VAL HA . 30739 1 852 . 1 . 1 84 84 VAL HB H 1 2.3377 0.0000 . 1 . . . . A 85 VAL HB . 30739 1 853 . 1 . 1 84 84 VAL HG11 H 1 1.2655 0.0000 . 2 . . . . A 85 VAL HG11 . 30739 1 854 . 1 . 1 84 84 VAL HG12 H 1 1.2655 0.0000 . 2 . . . . A 85 VAL HG12 . 30739 1 855 . 1 . 1 84 84 VAL HG13 H 1 1.2655 0.0000 . 2 . . . . A 85 VAL HG13 . 30739 1 856 . 1 . 1 84 84 VAL HG21 H 1 1.1770 0.0000 . 2 . . . . A 85 VAL HG21 . 30739 1 857 . 1 . 1 84 84 VAL HG22 H 1 1.1770 0.0000 . 2 . . . . A 85 VAL HG22 . 30739 1 858 . 1 . 1 84 84 VAL HG23 H 1 1.1770 0.0000 . 2 . . . . A 85 VAL HG23 . 30739 1 859 . 1 . 1 84 84 VAL C C 13 177.4153 0.0000 . 1 . . . . A 85 VAL C . 30739 1 860 . 1 . 1 84 84 VAL CA C 13 67.7474 0.0000 . 1 . . . . A 85 VAL CA . 30739 1 861 . 1 . 1 84 84 VAL CB C 13 32.4347 0.0000 . 1 . . . . A 85 VAL CB . 30739 1 862 . 1 . 1 84 84 VAL CG1 C 13 21.9164 0.0000 . 2 . . . . A 85 VAL CG1 . 30739 1 863 . 1 . 1 84 84 VAL CG2 C 13 23.5480 0.0000 . 2 . . . . A 85 VAL CG2 . 30739 1 864 . 1 . 1 84 84 VAL N N 15 117.9181 0.0000 . 1 . . . . A 85 VAL N . 30739 1 865 . 1 . 1 85 85 THR H H 1 8.2126 0.0000 . 1 . . . . A 86 THR H . 30739 1 866 . 1 . 1 85 85 THR HA H 1 3.6665 0.0000 . 1 . . . . A 86 THR HA . 30739 1 867 . 1 . 1 85 85 THR HB H 1 4.4258 0.0000 . 1 . . . . A 86 THR HB . 30739 1 868 . 1 . 1 85 85 THR HG21 H 1 1.7059 0.0000 . 1 . . . . A 86 THR HG21 . 30739 1 869 . 1 . 1 85 85 THR HG22 H 1 1.7059 0.0000 . 1 . . . . A 86 THR HG22 . 30739 1 870 . 1 . 1 85 85 THR HG23 H 1 1.7059 0.0000 . 1 . . . . A 86 THR HG23 . 30739 1 871 . 1 . 1 85 85 THR C C 13 176.3851 0.0000 . 1 . . . . A 86 THR C . 30739 1 872 . 1 . 1 85 85 THR CA C 13 67.9082 0.0000 . 1 . . . . A 86 THR CA . 30739 1 873 . 1 . 1 85 85 THR CB C 13 69.2216 0.0000 . 1 . . . . A 86 THR CB . 30739 1 874 . 1 . 1 85 85 THR CG2 C 13 20.0685 0.0000 . 1 . . . . A 86 THR CG2 . 30739 1 875 . 1 . 1 85 85 THR N N 15 116.5154 0.0000 . 1 . . . . A 86 THR N . 30739 1 876 . 1 . 1 86 86 LEU H H 1 8.2163 0.0000 . 1 . . . . A 87 LEU H . 30739 1 877 . 1 . 1 86 86 LEU HA H 1 4.3627 0.0000 . 1 . . . . A 87 LEU HA . 30739 1 878 . 1 . 1 86 86 LEU HB2 H 1 2.1506 0.0000 . 2 . . . . A 87 LEU HB2 . 30739 1 879 . 1 . 1 86 86 LEU HG H 1 2.0894 0.0000 . 1 . . . . A 87 LEU HG . 30739 1 880 . 1 . 1 86 86 LEU HD11 H 1 1.1569 0.0000 . 2 . . . . A 87 LEU HD11 . 30739 1 881 . 1 . 1 86 86 LEU HD12 H 1 1.1569 0.0000 . 2 . . . . A 87 LEU HD12 . 30739 1 882 . 1 . 1 86 86 LEU HD13 H 1 1.1569 0.0000 . 2 . . . . A 87 LEU HD13 . 30739 1 883 . 1 . 1 86 86 LEU C C 13 178.6506 0.0000 . 1 . . . . A 87 LEU C . 30739 1 884 . 1 . 1 86 86 LEU CA C 13 58.8210 0.0000 . 1 . . . . A 87 LEU CA . 30739 1 885 . 1 . 1 86 86 LEU CB C 13 41.4053 0.0000 . 1 . . . . A 87 LEU CB . 30739 1 886 . 1 . 1 86 86 LEU CG C 13 27.7603 0.0000 . 1 . . . . A 87 LEU CG . 30739 1 887 . 1 . 1 86 86 LEU CD1 C 13 24.7670 0.0000 . 2 . . . . A 87 LEU CD1 . 30739 1 888 . 1 . 1 86 86 LEU N N 15 120.2460 0.0000 . 1 . . . . A 87 LEU N . 30739 1 889 . 1 . 1 87 87 LYS H H 1 8.0849 0.0000 . 1 . . . . A 88 LYS H . 30739 1 890 . 1 . 1 87 87 LYS HA H 1 3.9604 0.0000 . 1 . . . . A 88 LYS HA . 30739 1 891 . 1 . 1 87 87 LYS HB2 H 1 2.0154 0.0000 . 2 . . . . A 88 LYS HB2 . 30739 1 892 . 1 . 1 87 87 LYS HG2 H 1 1.4940 0.0000 . 2 . . . . A 88 LYS HG2 . 30739 1 893 . 1 . 1 87 87 LYS HD2 H 1 1.8808 0.0000 . 2 . . . . A 88 LYS HD2 . 30739 1 894 . 1 . 1 87 87 LYS HE2 H 1 3.0463 0.0000 . 2 . . . . A 88 LYS HE2 . 30739 1 895 . 1 . 1 87 87 LYS C C 13 178.9577 0.0000 . 1 . . . . A 88 LYS C . 30739 1 896 . 1 . 1 87 87 LYS CA C 13 61.3121 0.0000 . 1 . . . . A 88 LYS CA . 30739 1 897 . 1 . 1 87 87 LYS CB C 13 33.2407 0.0000 . 1 . . . . A 88 LYS CB . 30739 1 898 . 1 . 1 87 87 LYS CG C 13 26.2460 0.0000 . 1 . . . . A 88 LYS CG . 30739 1 899 . 1 . 1 87 87 LYS CD C 13 28.7352 0.0000 . 1 . . . . A 88 LYS CD . 30739 1 900 . 1 . 1 87 87 LYS CE C 13 42.4067 0.0000 . 1 . . . . A 88 LYS CE . 30739 1 901 . 1 . 1 87 87 LYS N N 15 120.4887 0.0000 . 1 . . . . A 88 LYS N . 30739 1 902 . 1 . 1 88 88 VAL H H 1 8.2132 0.0000 . 1 . . . . A 89 VAL H . 30739 1 903 . 1 . 1 88 88 VAL HA H 1 3.6692 0.0000 . 1 . . . . A 89 VAL HA . 30739 1 904 . 1 . 1 88 88 VAL HB H 1 2.8293 0.0000 . 1 . . . . A 89 VAL HB . 30739 1 905 . 1 . 1 88 88 VAL HG11 H 1 1.3068 0.0000 . 2 . . . . A 89 VAL HG11 . 30739 1 906 . 1 . 1 88 88 VAL HG12 H 1 1.3068 0.0000 . 2 . . . . A 89 VAL HG12 . 30739 1 907 . 1 . 1 88 88 VAL HG13 H 1 1.3068 0.0000 . 2 . . . . A 89 VAL HG13 . 30739 1 908 . 1 . 1 88 88 VAL C C 13 177.1235 0.0000 . 1 . . . . A 89 VAL C . 30739 1 909 . 1 . 1 88 88 VAL CA C 13 68.3071 0.0000 . 1 . . . . A 89 VAL CA . 30739 1 910 . 1 . 1 88 88 VAL CB C 13 31.7935 0.0000 . 1 . . . . A 89 VAL CB . 30739 1 911 . 1 . 1 88 88 VAL CG1 C 13 22.7854 0.0000 . 2 . . . . A 89 VAL CG1 . 30739 1 912 . 1 . 1 88 88 VAL N N 15 119.4961 0.0000 . 1 . . . . A 89 VAL N . 30739 1 913 . 1 . 1 89 89 PHE H H 1 8.1885 0.0000 . 1 . . . . A 90 PHE H . 30739 1 914 . 1 . 1 89 89 PHE HA H 1 4.0989 0.0000 . 1 . . . . A 90 PHE HA . 30739 1 915 . 1 . 1 89 89 PHE HB2 H 1 3.2986 0.0000 . 2 . . . . A 90 PHE HB2 . 30739 1 916 . 1 . 1 89 89 PHE HD1 H 1 6.6923 0.0000 . 3 . . . . A 90 PHE HD1 . 30739 1 917 . 1 . 1 89 89 PHE HE1 H 1 6.6925 0.0000 . 3 . . . . A 90 PHE HE1 . 30739 1 918 . 1 . 1 89 89 PHE C C 13 177.2508 0.0000 . 1 . . . . A 90 PHE C . 30739 1 919 . 1 . 1 89 89 PHE CA C 13 61.9784 0.0000 . 1 . . . . A 90 PHE CA . 30739 1 920 . 1 . 1 89 89 PHE CB C 13 39.2357 0.0000 . 1 . . . . A 90 PHE CB . 30739 1 921 . 1 . 1 89 89 PHE CD1 C 13 131.1676 0.0000 . 3 . . . . A 90 PHE CD1 . 30739 1 922 . 1 . 1 89 89 PHE CE1 C 13 131.4668 0.0000 . 3 . . . . A 90 PHE CE1 . 30739 1 923 . 1 . 1 89 89 PHE N N 15 119.8912 0.0000 . 1 . . . . A 90 PHE N . 30739 1 924 . 1 . 1 90 90 ALA H H 1 8.4068 0.0000 . 1 . . . . A 91 ALA H . 30739 1 925 . 1 . 1 90 90 ALA HA H 1 3.7641 0.0000 . 1 . . . . A 91 ALA HA . 30739 1 926 . 1 . 1 90 90 ALA HB1 H 1 1.7382 0.0000 . 1 . . . . A 91 ALA HB1 . 30739 1 927 . 1 . 1 90 90 ALA HB2 H 1 1.7382 0.0000 . 1 . . . . A 91 ALA HB2 . 30739 1 928 . 1 . 1 90 90 ALA HB3 H 1 1.7382 0.0000 . 1 . . . . A 91 ALA HB3 . 30739 1 929 . 1 . 1 90 90 ALA C C 13 177.2714 0.0000 . 1 . . . . A 91 ALA C . 30739 1 930 . 1 . 1 90 90 ALA CA C 13 56.5646 0.0000 . 1 . . . . A 91 ALA CA . 30739 1 931 . 1 . 1 90 90 ALA CB C 13 19.7214 0.0000 . 1 . . . . A 91 ALA CB . 30739 1 932 . 1 . 1 90 90 ALA N N 15 118.8941 0.0000 . 1 . . . . A 91 ALA N . 30739 1 933 . 1 . 1 91 91 VAL H H 1 8.0966 0.0000 . 1 . . . . A 92 VAL H . 30739 1 934 . 1 . 1 91 91 VAL HA H 1 3.6410 0.0000 . 1 . . . . A 92 VAL HA . 30739 1 935 . 1 . 1 91 91 VAL HB H 1 2.1259 0.0000 . 1 . . . . A 92 VAL HB . 30739 1 936 . 1 . 1 91 91 VAL HG11 H 1 1.3898 0.0000 . 2 . . . . A 92 VAL HG11 . 30739 1 937 . 1 . 1 91 91 VAL HG12 H 1 1.3898 0.0000 . 2 . . . . A 92 VAL HG12 . 30739 1 938 . 1 . 1 91 91 VAL HG13 H 1 1.3898 0.0000 . 2 . . . . A 92 VAL HG13 . 30739 1 939 . 1 . 1 91 91 VAL C C 13 175.4892 0.0000 . 1 . . . . A 92 VAL C . 30739 1 940 . 1 . 1 91 91 VAL CA C 13 67.0224 0.0000 . 1 . . . . A 92 VAL CA . 30739 1 941 . 1 . 1 91 91 VAL CB C 13 34.3719 0.0000 . 1 . . . . A 92 VAL CB . 30739 1 942 . 1 . 1 91 91 VAL CG1 C 13 23.3790 0.0000 . 2 . . . . A 92 VAL CG1 . 30739 1 943 . 1 . 1 91 91 VAL N N 15 113.7605 0.0000 . 1 . . . . A 92 VAL N . 30739 1 944 . 1 . 1 92 92 ALA H H 1 8.6103 0.0000 . 1 . . . . A 93 ALA H . 30739 1 945 . 1 . 1 92 92 ALA HA H 1 4.7468 0.0000 . 1 . . . . A 93 ALA HA . 30739 1 946 . 1 . 1 92 92 ALA HB1 H 1 1.3751 0.0000 . 1 . . . . A 93 ALA HB1 . 30739 1 947 . 1 . 1 92 92 ALA HB2 H 1 1.3751 0.0000 . 1 . . . . A 93 ALA HB2 . 30739 1 948 . 1 . 1 92 92 ALA HB3 H 1 1.3751 0.0000 . 1 . . . . A 93 ALA HB3 . 30739 1 949 . 1 . 1 92 92 ALA C C 13 178.4844 0.0000 . 1 . . . . A 93 ALA C . 30739 1 950 . 1 . 1 92 92 ALA CA C 13 53.5211 0.0000 . 1 . . . . A 93 ALA CA . 30739 1 951 . 1 . 1 92 92 ALA CB C 13 19.8723 0.0000 . 1 . . . . A 93 ALA CB . 30739 1 952 . 1 . 1 92 92 ALA N N 15 118.7864 0.0000 . 1 . . . . A 93 ALA N . 30739 1 953 . 1 . 1 93 93 GLY H H 1 6.8897 0.0000 . 1 . . . . A 94 GLY H . 30739 1 954 . 1 . 1 93 93 GLY HA2 H 1 3.8083 0.0000 . 2 . . . . A 94 GLY HA2 . 30739 1 955 . 1 . 1 93 93 GLY HA3 H 1 3.1893 0.0000 . 2 . . . . A 94 GLY HA3 . 30739 1 956 . 1 . 1 93 93 GLY C C 13 174.2183 0.0000 . 1 . . . . A 94 GLY C . 30739 1 957 . 1 . 1 93 93 GLY CA C 13 47.5331 0.0000 . 1 . . . . A 94 GLY CA . 30739 1 958 . 1 . 1 93 93 GLY N N 15 104.3180 0.0000 . 1 . . . . A 94 GLY N . 30739 1 959 . 1 . 1 94 94 LEU H H 1 7.9774 0.0000 . 1 . . . . A 95 LEU H . 30739 1 960 . 1 . 1 94 94 LEU HA H 1 4.0569 0.0000 . 1 . . . . A 95 LEU HA . 30739 1 961 . 1 . 1 94 94 LEU HB2 H 1 2.0721 0.0000 . 2 . . . . A 95 LEU HB2 . 30739 1 962 . 1 . 1 94 94 LEU HB3 H 1 1.3980 0.0000 . 2 . . . . A 95 LEU HB3 . 30739 1 963 . 1 . 1 94 94 LEU HG H 1 1.1465 0.0000 . 1 . . . . A 95 LEU HG . 30739 1 964 . 1 . 1 94 94 LEU HD11 H 1 0.5876 0.0000 . 2 . . . . A 95 LEU HD11 . 30739 1 965 . 1 . 1 94 94 LEU HD12 H 1 0.5876 0.0000 . 2 . . . . A 95 LEU HD12 . 30739 1 966 . 1 . 1 94 94 LEU HD13 H 1 0.5876 0.0000 . 2 . . . . A 95 LEU HD13 . 30739 1 967 . 1 . 1 94 94 LEU C C 13 179.4850 0.0000 . 1 . . . . A 95 LEU C . 30739 1 968 . 1 . 1 94 94 LEU CA C 13 58.1237 0.0000 . 1 . . . . A 95 LEU CA . 30739 1 969 . 1 . 1 94 94 LEU CB C 13 41.1642 0.0000 . 1 . . . . A 95 LEU CB . 30739 1 970 . 1 . 1 94 94 LEU CG C 13 28.1555 0.0000 . 1 . . . . A 95 LEU CG . 30739 1 971 . 1 . 1 94 94 LEU CD1 C 13 22.2792 0.0000 . 2 . . . . A 95 LEU CD1 . 30739 1 972 . 1 . 1 94 94 LEU N N 15 121.6463 0.0000 . 1 . . . . A 95 LEU N . 30739 1 973 . 1 . 1 95 95 LEU H H 1 7.7832 0.0000 . 1 . . . . A 96 LEU H . 30739 1 974 . 1 . 1 95 95 LEU HA H 1 4.3585 0.0000 . 1 . . . . A 96 LEU HA . 30739 1 975 . 1 . 1 95 95 LEU HB2 H 1 2.4034 0.0000 . 2 . . . . A 96 LEU HB2 . 30739 1 976 . 1 . 1 95 95 LEU HB3 H 1 1.5312 0.0000 . 2 . . . . A 96 LEU HB3 . 30739 1 977 . 1 . 1 95 95 LEU HG H 1 1.6462 0.0000 . 1 . . . . A 96 LEU HG . 30739 1 978 . 1 . 1 95 95 LEU HD11 H 1 0.9357 0.0000 . 2 . . . . A 96 LEU HD11 . 30739 1 979 . 1 . 1 95 95 LEU HD12 H 1 0.9357 0.0000 . 2 . . . . A 96 LEU HD12 . 30739 1 980 . 1 . 1 95 95 LEU HD13 H 1 0.9357 0.0000 . 2 . . . . A 96 LEU HD13 . 30739 1 981 . 1 . 1 95 95 LEU C C 13 176.8974 0.0000 . 1 . . . . A 96 LEU C . 30739 1 982 . 1 . 1 95 95 LEU CA C 13 55.6360 0.0000 . 1 . . . . A 96 LEU CA . 30739 1 983 . 1 . 1 95 95 LEU CB C 13 42.7598 0.0000 . 1 . . . . A 96 LEU CB . 30739 1 984 . 1 . 1 95 95 LEU CG C 13 28.0013 0.0000 . 1 . . . . A 96 LEU CG . 30739 1 985 . 1 . 1 95 95 LEU CD1 C 13 23.7641 0.0000 . 2 . . . . A 96 LEU CD1 . 30739 1 986 . 1 . 1 95 95 LEU N N 15 115.7366 0.0000 . 1 . . . . A 96 LEU N . 30739 1 987 . 1 . 1 96 96 ASN H H 1 6.7327 0.0000 . 1 . . . . A 97 ASN H . 30739 1 988 . 1 . 1 96 96 ASN HA H 1 4.3283 0.0000 . 1 . . . . A 97 ASN HA . 30739 1 989 . 1 . 1 96 96 ASN HB2 H 1 3.2261 0.0000 . 2 . . . . A 97 ASN HB2 . 30739 1 990 . 1 . 1 96 96 ASN HB3 H 1 2.2321 0.0000 . 2 . . . . A 97 ASN HB3 . 30739 1 991 . 1 . 1 96 96 ASN HD21 H 1 6.4710 0.0000 . 2 . . . . A 97 ASN HD21 . 30739 1 992 . 1 . 1 96 96 ASN HD22 H 1 7.3445 0.0000 . 2 . . . . A 97 ASN HD22 . 30739 1 993 . 1 . 1 96 96 ASN C C 13 174.2342 0.0000 . 1 . . . . A 97 ASN C . 30739 1 994 . 1 . 1 96 96 ASN CA C 13 54.2841 0.0000 . 1 . . . . A 97 ASN CA . 30739 1 995 . 1 . 1 96 96 ASN CB C 13 37.8490 0.0000 . 1 . . . . A 97 ASN CB . 30739 1 996 . 1 . 1 96 96 ASN N N 15 113.0828 0.0000 . 1 . . . . A 97 ASN N . 30739 1 997 . 1 . 1 96 96 ASN ND2 N 15 108.3035 0.0000 . 1 . . . . A 97 ASN ND2 . 30739 1 998 . 1 . 1 97 97 MET H H 1 8.2011 0.0000 . 1 . . . . A 98 MET H . 30739 1 999 . 1 . 1 97 97 MET HA H 1 4.6554 0.0000 . 1 . . . . A 98 MET HA . 30739 1 1000 . 1 . 1 97 97 MET HB2 H 1 2.4546 0.0000 . 2 . . . . A 98 MET HB2 . 30739 1 1001 . 1 . 1 97 97 MET HB3 H 1 1.8518 0.0000 . 2 . . . . A 98 MET HB3 . 30739 1 1002 . 1 . 1 97 97 MET HG2 H 1 2.4433 0.0000 . 2 . . . . A 98 MET HG2 . 30739 1 1003 . 1 . 1 97 97 MET HE1 H 1 2.2088 0.0000 . 1 . . . . A 98 MET HE1 . 30739 1 1004 . 1 . 1 97 97 MET HE2 H 1 2.2088 0.0000 . 1 . . . . A 98 MET HE2 . 30739 1 1005 . 1 . 1 97 97 MET HE3 H 1 2.2088 0.0000 . 1 . . . . A 98 MET HE3 . 30739 1 1006 . 1 . 1 97 97 MET C C 13 176.5368 0.0000 . 1 . . . . A 98 MET C . 30739 1 1007 . 1 . 1 97 97 MET CA C 13 55.4543 0.0000 . 1 . . . . A 98 MET CA . 30739 1 1008 . 1 . 1 97 97 MET CB C 13 32.6361 0.0000 . 1 . . . . A 98 MET CB . 30739 1 1009 . 1 . 1 97 97 MET CG C 13 33.5043 0.0000 . 1 . . . . A 98 MET CG . 30739 1 1010 . 1 . 1 97 97 MET CE C 13 18.8710 0.0000 . 1 . . . . A 98 MET CE . 30739 1 1011 . 1 . 1 97 97 MET N N 15 116.3297 0.0000 . 1 . . . . A 98 MET N . 30739 1 1012 . 1 . 1 98 98 THR H H 1 8.5569 0.0000 . 1 . . . . A 99 THR H . 30739 1 1013 . 1 . 1 98 98 THR HA H 1 4.3022 0.0000 . 1 . . . . A 99 THR HA . 30739 1 1014 . 1 . 1 98 98 THR HB H 1 4.2328 0.0000 . 1 . . . . A 99 THR HB . 30739 1 1015 . 1 . 1 98 98 THR HG21 H 1 1.2217 0.0000 . 1 . . . . A 99 THR HG21 . 30739 1 1016 . 1 . 1 98 98 THR HG22 H 1 1.2217 0.0000 . 1 . . . . A 99 THR HG22 . 30739 1 1017 . 1 . 1 98 98 THR HG23 H 1 1.2217 0.0000 . 1 . . . . A 99 THR HG23 . 30739 1 1018 . 1 . 1 98 98 THR C C 13 174.2234 0.0000 . 1 . . . . A 99 THR C . 30739 1 1019 . 1 . 1 98 98 THR CA C 13 63.5491 0.0000 . 1 . . . . A 99 THR CA . 30739 1 1020 . 1 . 1 98 98 THR CB C 13 69.0228 0.0000 . 1 . . . . A 99 THR CB . 30739 1 1021 . 1 . 1 98 98 THR CG2 C 13 21.3196 0.0000 . 1 . . . . A 99 THR CG2 . 30739 1 1022 . 1 . 1 98 98 THR N N 15 118.6338 0.0000 . 1 . . . . A 99 THR N . 30739 1 1023 . 1 . 1 99 99 VAL H H 1 7.9574 0.0000 . 1 . . . . A 100 VAL H . 30739 1 1024 . 1 . 1 99 99 VAL HA H 1 4.6200 0.0000 . 1 . . . . A 100 VAL HA . 30739 1 1025 . 1 . 1 99 99 VAL HB H 1 2.2035 0.0000 . 1 . . . . A 100 VAL HB . 30739 1 1026 . 1 . 1 99 99 VAL HG11 H 1 1.1809 0.0000 . 2 . . . . A 100 VAL HG11 . 30739 1 1027 . 1 . 1 99 99 VAL HG12 H 1 1.1809 0.0000 . 2 . . . . A 100 VAL HG12 . 30739 1 1028 . 1 . 1 99 99 VAL HG13 H 1 1.1809 0.0000 . 2 . . . . A 100 VAL HG13 . 30739 1 1029 . 1 . 1 99 99 VAL HG21 H 1 0.9752 0.0000 . 2 . . . . A 100 VAL HG21 . 30739 1 1030 . 1 . 1 99 99 VAL HG22 H 1 0.9752 0.0000 . 2 . . . . A 100 VAL HG22 . 30739 1 1031 . 1 . 1 99 99 VAL HG23 H 1 0.9752 0.0000 . 2 . . . . A 100 VAL HG23 . 30739 1 1032 . 1 . 1 99 99 VAL C C 13 175.2057 0.0000 . 1 . . . . A 100 VAL C . 30739 1 1033 . 1 . 1 99 99 VAL CA C 13 60.3133 0.0000 . 1 . . . . A 100 VAL CA . 30739 1 1034 . 1 . 1 99 99 VAL CB C 13 35.3685 0.0000 . 1 . . . . A 100 VAL CB . 30739 1 1035 . 1 . 1 99 99 VAL CG1 C 13 21.8295 0.0000 . 2 . . . . A 100 VAL CG1 . 30739 1 1036 . 1 . 1 99 99 VAL CG2 C 13 21.0272 0.0000 . 2 . . . . A 100 VAL CG2 . 30739 1 1037 . 1 . 1 99 99 VAL N N 15 121.4768 0.0000 . 1 . . . . A 100 VAL N . 30739 1 1038 . 1 . 1 100 100 SER H H 1 9.0192 0.0000 . 1 . . . . A 101 SER H . 30739 1 1039 . 1 . 1 100 100 SER HA H 1 4.6657 0.0000 . 1 . . . . A 101 SER HA . 30739 1 1040 . 1 . 1 100 100 SER HB2 H 1 4.1287 0.0000 . 2 . . . . A 101 SER HB2 . 30739 1 1041 . 1 . 1 100 100 SER C C 13 175.8830 0.0000 . 1 . . . . A 101 SER C . 30739 1 1042 . 1 . 1 100 100 SER CA C 13 60.4283 0.0000 . 1 . . . . A 101 SER CA . 30739 1 1043 . 1 . 1 100 100 SER CB C 13 64.9741 0.0000 . 1 . . . . A 101 SER CB . 30739 1 1044 . 1 . 1 100 100 SER N N 15 116.0438 0.0000 . 1 . . . . A 101 SER N . 30739 1 1045 . 1 . 1 101 101 THR H H 1 7.2588 0.0000 . 1 . . . . A 102 THR H . 30739 1 1046 . 1 . 1 101 101 THR HA H 1 5.5508 0.0000 . 1 . . . . A 102 THR HA . 30739 1 1047 . 1 . 1 101 101 THR HB H 1 4.7124 0.0000 . 1 . . . . A 102 THR HB . 30739 1 1048 . 1 . 1 101 101 THR HG21 H 1 0.9409 0.0000 . 1 . . . . A 102 THR HG21 . 30739 1 1049 . 1 . 1 101 101 THR HG22 H 1 0.9409 0.0000 . 1 . . . . A 102 THR HG22 . 30739 1 1050 . 1 . 1 101 101 THR HG23 H 1 0.9409 0.0000 . 1 . . . . A 102 THR HG23 . 30739 1 1051 . 1 . 1 101 101 THR C C 13 174.6778 0.0000 . 1 . . . . A 102 THR C . 30739 1 1052 . 1 . 1 101 101 THR CA C 13 60.0414 0.0000 . 1 . . . . A 102 THR CA . 30739 1 1053 . 1 . 1 101 101 THR CB C 13 74.1696 0.0000 . 1 . . . . A 102 THR CB . 30739 1 1054 . 1 . 1 101 101 THR CG2 C 13 22.0246 0.0000 . 1 . . . . A 102 THR CG2 . 30739 1 1055 . 1 . 1 101 101 THR N N 15 109.6770 0.0000 . 1 . . . . A 102 THR N . 30739 1 1056 . 1 . 1 102 102 ALA H H 1 8.4266 0.0000 . 1 . . . . A 103 ALA H . 30739 1 1057 . 1 . 1 102 102 ALA HA H 1 4.0455 0.0000 . 1 . . . . A 103 ALA HA . 30739 1 1058 . 1 . 1 102 102 ALA HB1 H 1 1.7020 0.0000 . 1 . . . . A 103 ALA HB1 . 30739 1 1059 . 1 . 1 102 102 ALA HB2 H 1 1.7020 0.0000 . 1 . . . . A 103 ALA HB2 . 30739 1 1060 . 1 . 1 102 102 ALA HB3 H 1 1.7020 0.0000 . 1 . . . . A 103 ALA HB3 . 30739 1 1061 . 1 . 1 102 102 ALA C C 13 178.6208 0.0000 . 1 . . . . A 103 ALA C . 30739 1 1062 . 1 . 1 102 102 ALA CA C 13 55.6285 0.0000 . 1 . . . . A 103 ALA CA . 30739 1 1063 . 1 . 1 102 102 ALA CB C 13 19.1796 0.0000 . 1 . . . . A 103 ALA CB . 30739 1 1064 . 1 . 1 102 102 ALA N N 15 123.7582 0.0000 . 1 . . . . A 103 ALA N . 30739 1 1065 . 1 . 1 103 103 ALA H H 1 8.4875 0.0000 . 1 . . . . A 104 ALA H . 30739 1 1066 . 1 . 1 103 103 ALA HA H 1 4.3314 0.0000 . 1 . . . . A 104 ALA HA . 30739 1 1067 . 1 . 1 103 103 ALA HB1 H 1 1.4803 0.0000 . 1 . . . . A 104 ALA HB1 . 30739 1 1068 . 1 . 1 103 103 ALA HB2 H 1 1.4803 0.0000 . 1 . . . . A 104 ALA HB2 . 30739 1 1069 . 1 . 1 103 103 ALA HB3 H 1 1.4803 0.0000 . 1 . . . . A 104 ALA HB3 . 30739 1 1070 . 1 . 1 103 103 ALA C C 13 180.5934 0.0000 . 1 . . . . A 104 ALA C . 30739 1 1071 . 1 . 1 103 103 ALA CA C 13 55.4550 0.0000 . 1 . . . . A 104 ALA CA . 30739 1 1072 . 1 . 1 103 103 ALA CB C 13 18.7278 0.0000 . 1 . . . . A 104 ALA CB . 30739 1 1073 . 1 . 1 103 103 ALA N N 15 119.5111 0.0000 . 1 . . . . A 104 ALA N . 30739 1 1074 . 1 . 1 104 104 ALA H H 1 8.0391 0.0000 . 1 . . . . A 105 ALA H . 30739 1 1075 . 1 . 1 104 104 ALA HA H 1 4.3664 0.0000 . 1 . . . . A 105 ALA HA . 30739 1 1076 . 1 . 1 104 104 ALA HB1 H 1 1.6722 0.0000 . 1 . . . . A 105 ALA HB1 . 30739 1 1077 . 1 . 1 104 104 ALA HB2 H 1 1.6722 0.0000 . 1 . . . . A 105 ALA HB2 . 30739 1 1078 . 1 . 1 104 104 ALA HB3 H 1 1.6722 0.0000 . 1 . . . . A 105 ALA HB3 . 30739 1 1079 . 1 . 1 104 104 ALA C C 13 180.9876 0.0000 . 1 . . . . A 105 ALA C . 30739 1 1080 . 1 . 1 104 104 ALA CA C 13 55.4057 0.0000 . 1 . . . . A 105 ALA CA . 30739 1 1081 . 1 . 1 104 104 ALA CB C 13 18.9868 0.0000 . 1 . . . . A 105 ALA CB . 30739 1 1082 . 1 . 1 104 104 ALA N N 15 120.8049 0.0000 . 1 . . . . A 105 ALA N . 30739 1 1083 . 1 . 1 105 105 ALA H H 1 8.0512 0.0000 . 1 . . . . A 106 ALA H . 30739 1 1084 . 1 . 1 105 105 ALA HA H 1 4.2370 0.0000 . 1 . . . . A 106 ALA HA . 30739 1 1085 . 1 . 1 105 105 ALA HB1 H 1 1.5617 0.0000 . 1 . . . . A 106 ALA HB1 . 30739 1 1086 . 1 . 1 105 105 ALA HB2 H 1 1.5617 0.0000 . 1 . . . . A 106 ALA HB2 . 30739 1 1087 . 1 . 1 105 105 ALA HB3 H 1 1.5617 0.0000 . 1 . . . . A 106 ALA HB3 . 30739 1 1088 . 1 . 1 105 105 ALA C C 13 178.6743 0.0000 . 1 . . . . A 106 ALA C . 30739 1 1089 . 1 . 1 105 105 ALA CA C 13 56.2963 0.0000 . 1 . . . . A 106 ALA CA . 30739 1 1090 . 1 . 1 105 105 ALA CB C 13 19.5551 0.0000 . 1 . . . . A 106 ALA CB . 30739 1 1091 . 1 . 1 105 105 ALA N N 15 121.3527 0.0000 . 1 . . . . A 106 ALA N . 30739 1 1092 . 1 . 1 106 106 GLU H H 1 8.7175 0.0000 . 1 . . . . A 107 GLU H . 30739 1 1093 . 1 . 1 106 106 GLU HA H 1 4.1913 0.0000 . 1 . . . . A 107 GLU HA . 30739 1 1094 . 1 . 1 106 106 GLU HB2 H 1 2.1558 0.0000 . 2 . . . . A 107 GLU HB2 . 30739 1 1095 . 1 . 1 106 106 GLU HG2 H 1 2.3731 0.0000 . 2 . . . . A 107 GLU HG2 . 30739 1 1096 . 1 . 1 106 106 GLU HG3 H 1 2.3179 0.0000 . 2 . . . . A 107 GLU HG3 . 30739 1 1097 . 1 . 1 106 106 GLU C C 13 178.8869 0.0000 . 1 . . . . A 107 GLU C . 30739 1 1098 . 1 . 1 106 106 GLU CA C 13 61.1350 0.0000 . 1 . . . . A 107 GLU CA . 30739 1 1099 . 1 . 1 106 106 GLU CB C 13 30.6323 0.0000 . 1 . . . . A 107 GLU CB . 30739 1 1100 . 1 . 1 106 106 GLU CG C 13 38.2290 0.0000 . 1 . . . . A 107 GLU CG . 30739 1 1101 . 1 . 1 106 106 GLU N N 15 118.2641 0.0000 . 1 . . . . A 107 GLU N . 30739 1 1102 . 1 . 1 107 107 ASN H H 1 8.0831 0.0000 . 1 . . . . A 108 ASN H . 30739 1 1103 . 1 . 1 107 107 ASN HA H 1 4.6420 0.0000 . 1 . . . . A 108 ASN HA . 30739 1 1104 . 1 . 1 107 107 ASN HB2 H 1 3.0534 0.0000 . 2 . . . . A 108 ASN HB2 . 30739 1 1105 . 1 . 1 107 107 ASN HD21 H 1 6.9783 0.0000 . 2 . . . . A 108 ASN HD21 . 30739 1 1106 . 1 . 1 107 107 ASN HD22 H 1 7.7113 0.0000 . 2 . . . . A 108 ASN HD22 . 30739 1 1107 . 1 . 1 107 107 ASN C C 13 177.5878 0.0000 . 1 . . . . A 108 ASN C . 30739 1 1108 . 1 . 1 107 107 ASN CA C 13 57.1392 0.0000 . 1 . . . . A 108 ASN CA . 30739 1 1109 . 1 . 1 107 107 ASN CB C 13 39.2302 0.0000 . 1 . . . . A 108 ASN CB . 30739 1 1110 . 1 . 1 107 107 ASN N N 15 118.1752 0.0000 . 1 . . . . A 108 ASN N . 30739 1 1111 . 1 . 1 107 107 ASN ND2 N 15 112.4325 0.0000 . 1 . . . . A 108 ASN ND2 . 30739 1 1112 . 1 . 1 108 108 MET H H 1 8.4374 0.0000 . 1 . . . . A 109 MET H . 30739 1 1113 . 1 . 1 108 108 MET HA H 1 4.3638 0.0000 . 1 . . . . A 109 MET HA . 30739 1 1114 . 1 . 1 108 108 MET HB2 H 1 2.0848 0.0000 . 2 . . . . A 109 MET HB2 . 30739 1 1115 . 1 . 1 108 108 MET HE1 H 1 2.1189 0.0000 . 1 . . . . A 109 MET HE1 . 30739 1 1116 . 1 . 1 108 108 MET HE2 H 1 2.1189 0.0000 . 1 . . . . A 109 MET HE2 . 30739 1 1117 . 1 . 1 108 108 MET HE3 H 1 2.1189 0.0000 . 1 . . . . A 109 MET HE3 . 30739 1 1118 . 1 . 1 108 108 MET C C 13 176.9460 0.0000 . 1 . . . . A 109 MET C . 30739 1 1119 . 1 . 1 108 108 MET CA C 13 59.1983 0.0000 . 1 . . . . A 109 MET CA . 30739 1 1120 . 1 . 1 108 108 MET CB C 13 33.5295 0.0000 . 1 . . . . A 109 MET CB . 30739 1 1121 . 1 . 1 108 108 MET CE C 13 17.9391 0.0000 . 1 . . . . A 109 MET CE . 30739 1 1122 . 1 . 1 108 108 MET N N 15 120.2972 0.0000 . 1 . . . . A 109 MET N . 30739 1 1123 . 1 . 1 109 109 TYR H H 1 8.6465 0.0000 . 1 . . . . A 110 TYR H . 30739 1 1124 . 1 . 1 109 109 TYR HB2 H 1 3.3798 0.0000 . 2 . . . . A 110 TYR HB2 . 30739 1 1125 . 1 . 1 109 109 TYR HD1 H 1 7.0050 0.0000 . 3 . . . . A 110 TYR HD1 . 30739 1 1126 . 1 . 1 109 109 TYR HE1 H 1 6.4283 0.0000 . 3 . . . . A 110 TYR HE1 . 30739 1 1127 . 1 . 1 109 109 TYR C C 13 176.7372 0.0000 . 1 . . . . A 110 TYR C . 30739 1 1128 . 1 . 1 109 109 TYR CA C 13 63.3733 0.0000 . 1 . . . . A 110 TYR CA . 30739 1 1129 . 1 . 1 109 109 TYR CB C 13 39.5243 0.0000 . 1 . . . . A 110 TYR CB . 30739 1 1130 . 1 . 1 109 109 TYR CD1 C 13 134.2475 0.0000 . 3 . . . . A 110 TYR CD1 . 30739 1 1131 . 1 . 1 109 109 TYR CE1 C 13 118.5673 0.0000 . 3 . . . . A 110 TYR CE1 . 30739 1 1132 . 1 . 1 109 109 TYR N N 15 120.5135 0.0000 . 1 . . . . A 110 TYR N . 30739 1 1133 . 1 . 1 110 110 SER H H 1 7.4531 0.0000 . 1 . . . . A 111 SER H . 30739 1 1134 . 1 . 1 110 110 SER HA H 1 4.5942 0.0000 . 1 . . . . A 111 SER HA . 30739 1 1135 . 1 . 1 110 110 SER HB2 H 1 4.1488 0.0000 . 2 . . . . A 111 SER HB2 . 30739 1 1136 . 1 . 1 110 110 SER C C 13 179.1407 0.0000 . 1 . . . . A 111 SER C . 30739 1 1137 . 1 . 1 110 110 SER CA C 13 61.8082 0.0000 . 1 . . . . A 111 SER CA . 30739 1 1138 . 1 . 1 110 110 SER CB C 13 63.8781 0.0000 . 1 . . . . A 111 SER CB . 30739 1 1139 . 1 . 1 110 110 SER N N 15 110.5237 0.0000 . 1 . . . . A 111 SER N . 30739 1 1140 . 1 . 1 111 111 GLN H H 1 8.8155 0.0000 . 1 . . . . A 112 GLN H . 30739 1 1141 . 1 . 1 111 111 GLN HA H 1 4.1269 0.0000 . 1 . . . . A 112 GLN HA . 30739 1 1142 . 1 . 1 111 111 GLN HB2 H 1 2.2838 0.0000 . 2 . . . . A 112 GLN HB2 . 30739 1 1143 . 1 . 1 111 111 GLN HG2 H 1 2.6159 0.0000 . 2 . . . . A 112 GLN HG2 . 30739 1 1144 . 1 . 1 111 111 GLN HE21 H 1 6.7975 0.0000 . 2 . . . . A 112 GLN HE21 . 30739 1 1145 . 1 . 1 111 111 GLN HE22 H 1 7.4890 0.0000 . 2 . . . . A 112 GLN HE22 . 30739 1 1146 . 1 . 1 111 111 GLN C C 13 178.3555 0.0000 . 1 . . . . A 112 GLN C . 30739 1 1147 . 1 . 1 111 111 GLN CA C 13 59.8834 0.0000 . 1 . . . . A 112 GLN CA . 30739 1 1148 . 1 . 1 111 111 GLN CB C 13 28.9768 0.0000 . 1 . . . . A 112 GLN CB . 30739 1 1149 . 1 . 1 111 111 GLN CG C 13 34.4342 0.0000 . 1 . . . . A 112 GLN CG . 30739 1 1150 . 1 . 1 111 111 GLN N N 15 125.3002 0.0000 . 1 . . . . A 112 GLN N . 30739 1 1151 . 1 . 1 111 111 GLN NE2 N 15 111.2931 0.0000 . 1 . . . . A 112 GLN NE2 . 30739 1 1152 . 1 . 1 112 112 MET HA H 1 4.3487 0.0000 . 1 . . . . A 113 MET HA . 30739 1 1153 . 1 . 1 112 112 MET HB2 H 1 2.3369 0.0000 . 2 . . . . A 113 MET HB2 . 30739 1 1154 . 1 . 1 112 112 MET HG2 H 1 2.7095 0.0000 . 2 . . . . A 113 MET HG2 . 30739 1 1155 . 1 . 1 112 112 MET HE1 H 1 2.0942 0.0000 . 1 . . . . A 113 MET HE1 . 30739 1 1156 . 1 . 1 112 112 MET HE2 H 1 2.0942 0.0000 . 1 . . . . A 113 MET HE2 . 30739 1 1157 . 1 . 1 112 112 MET HE3 H 1 2.0942 0.0000 . 1 . . . . A 113 MET HE3 . 30739 1 1158 . 1 . 1 112 112 MET C C 13 175.8596 0.0000 . 1 . . . . A 113 MET C . 30739 1 1159 . 1 . 1 112 112 MET CA C 13 57.2073 0.0000 . 1 . . . . A 113 MET CA . 30739 1 1160 . 1 . 1 112 112 MET CB C 13 34.5236 0.0000 . 1 . . . . A 113 MET CB . 30739 1 1161 . 1 . 1 112 112 MET CG C 13 33.8614 0.0000 . 1 . . . . A 113 MET CG . 30739 1 1162 . 1 . 1 112 112 MET CE C 13 17.7226 0.0000 . 1 . . . . A 113 MET CE . 30739 1 1163 . 1 . 1 112 112 MET N N 15 114.7215 0.0000 . 1 . . . . A 113 MET N . 30739 1 1164 . 1 . 1 113 113 GLY H H 1 8.0081 0.0000 . 1 . . . . A 114 GLY H . 30739 1 1165 . 1 . 1 113 113 GLY HA2 H 1 4.0544 0.0000 . 2 . . . . A 114 GLY HA2 . 30739 1 1166 . 1 . 1 113 113 GLY C C 13 175.8738 0.0000 . 1 . . . . A 114 GLY C . 30739 1 1167 . 1 . 1 113 113 GLY CA C 13 46.6117 0.0000 . 1 . . . . A 114 GLY CA . 30739 1 1168 . 1 . 1 113 113 GLY N N 15 107.4684 0.0000 . 1 . . . . A 114 GLY N . 30739 1 1169 . 1 . 1 114 114 LEU H H 1 7.4406 0.0000 . 1 . . . . A 115 LEU H . 30739 1 1170 . 1 . 1 114 114 LEU HA H 1 3.8835 0.0000 . 1 . . . . A 115 LEU HA . 30739 1 1171 . 1 . 1 114 114 LEU HB2 H 1 0.5945 0.0000 . 2 . . . . A 115 LEU HB2 . 30739 1 1172 . 1 . 1 114 114 LEU HG H 1 1.3282 0.0000 . 1 . . . . A 115 LEU HG . 30739 1 1173 . 1 . 1 114 114 LEU HD11 H 1 0.6707 0.0000 . 2 . . . . A 115 LEU HD11 . 30739 1 1174 . 1 . 1 114 114 LEU HD12 H 1 0.6707 0.0000 . 2 . . . . A 115 LEU HD12 . 30739 1 1175 . 1 . 1 114 114 LEU HD13 H 1 0.6707 0.0000 . 2 . . . . A 115 LEU HD13 . 30739 1 1176 . 1 . 1 114 114 LEU C C 13 177.1956 0.0000 . 1 . . . . A 115 LEU C . 30739 1 1177 . 1 . 1 114 114 LEU CA C 13 56.0082 0.0000 . 1 . . . . A 115 LEU CA . 30739 1 1178 . 1 . 1 114 114 LEU CB C 13 38.9863 0.0000 . 1 . . . . A 115 LEU CB . 30739 1 1179 . 1 . 1 114 114 LEU CG C 13 27.1161 0.0000 . 1 . . . . A 115 LEU CG . 30739 1 1180 . 1 . 1 114 114 LEU CD1 C 13 26.6736 0.0000 . 2 . . . . A 115 LEU CD1 . 30739 1 1181 . 1 . 1 114 114 LEU N N 15 114.7502 0.0000 . 1 . . . . A 115 LEU N . 30739 1 1182 . 1 . 1 115 115 ASP H H 1 8.4524 0.0000 . 1 . . . . A 116 ASP H . 30739 1 1183 . 1 . 1 115 115 ASP HA H 1 4.7104 0.0000 . 1 . . . . A 116 ASP HA . 30739 1 1184 . 1 . 1 115 115 ASP HB2 H 1 2.7521 0.0000 . 2 . . . . A 116 ASP HB2 . 30739 1 1185 . 1 . 1 115 115 ASP C C 13 175.8322 0.0000 . 1 . . . . A 116 ASP C . 30739 1 1186 . 1 . 1 115 115 ASP CA C 13 55.7442 0.0000 . 1 . . . . A 116 ASP CA . 30739 1 1187 . 1 . 1 115 115 ASP CB C 13 40.8092 0.0000 . 1 . . . . A 116 ASP CB . 30739 1 1188 . 1 . 1 115 115 ASP N N 15 116.7410 0.0000 . 1 . . . . A 116 ASP N . 30739 1 1189 . 1 . 1 116 116 THR H H 1 7.3405 0.0000 . 1 . . . . A 117 THR H . 30739 1 1190 . 1 . 1 116 116 THR HA H 1 4.2595 0.0000 . 1 . . . . A 117 THR HA . 30739 1 1191 . 1 . 1 116 116 THR HB H 1 4.1525 0.0000 . 1 . . . . A 117 THR HB . 30739 1 1192 . 1 . 1 116 116 THR HG21 H 1 1.1894 0.0000 . 1 . . . . A 117 THR HG21 . 30739 1 1193 . 1 . 1 116 116 THR HG22 H 1 1.1894 0.0000 . 1 . . . . A 117 THR HG22 . 30739 1 1194 . 1 . 1 116 116 THR HG23 H 1 1.1894 0.0000 . 1 . . . . A 117 THR HG23 . 30739 1 1195 . 1 . 1 116 116 THR C C 13 173.6826 0.0000 . 1 . . . . A 117 THR C . 30739 1 1196 . 1 . 1 116 116 THR CA C 13 59.9682 0.0000 . 1 . . . . A 117 THR CA . 30739 1 1197 . 1 . 1 116 116 THR CB C 13 70.8321 0.0000 . 1 . . . . A 117 THR CB . 30739 1 1198 . 1 . 1 116 116 THR CG2 C 13 22.7144 0.0000 . 1 . . . . A 117 THR CG2 . 30739 1 1199 . 1 . 1 116 116 THR N N 15 112.0768 0.0000 . 1 . . . . A 117 THR N . 30739 1 1200 . 1 . 1 117 117 ARG H H 1 8.6902 0.0000 . 1 . . . . A 118 ARG H . 30739 1 1201 . 1 . 1 117 117 ARG HB2 H 1 1.9007 0.0000 . 2 . . . . A 118 ARG HB2 . 30739 1 1202 . 1 . 1 117 117 ARG HD2 H 1 3.2946 0.0000 . 2 . . . . A 118 ARG HD2 . 30739 1 1203 . 1 . 1 117 117 ARG C C 13 175.0496 0.0000 . 1 . . . . A 118 ARG C . 30739 1 1204 . 1 . 1 117 117 ARG CA C 13 55.7684 0.0000 . 1 . . . . A 118 ARG CA . 30739 1 1205 . 1 . 1 117 117 ARG CB C 13 30.6462 0.0000 . 1 . . . . A 118 ARG CB . 30739 1 1206 . 1 . 1 117 117 ARG CD C 13 44.2781 0.0000 . 1 . . . . A 118 ARG CD . 30739 1 1207 . 1 . 1 117 117 ARG N N 15 125.3254 0.0000 . 1 . . . . A 118 ARG N . 30739 1 stop_ save_