data_27472 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27472 _Entry.Title ; NMR 1H,13C,15N resonance assignment of the G12C mutant of human K-Ras bound to GppNHp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-05-03 _Entry.Accession_date 2018-05-03 _Entry.Last_release_date 2018-05-03 _Entry.Original_release_date 2018-05-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Alok Sharma . K. . . 27472 2 Seung-Joo Lee . . . . 27472 3 Alan Rigby . C. . . 27472 4 Sharon Townson . A. . . 27472 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27472 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 27472 '15N chemical shifts' 126 27472 '1H chemical shifts' 532 27472 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 . . 2019-04-12 2018-05-03 update BMRB 'update entry citation' 27472 1 . . 2019-02-27 2018-05-03 original author 'original release' 27472 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27472 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30798456 _Citation.Full_citation . _Citation.Title ; NMR 1H,13C, 15N resonance assignment of the G12C mutant of human K-Ras bound to GppNHp ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 227 _Citation.Page_last 231 _Citation.Year 2019 _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 Alok Sharma . . . . 27472 1 2 Seung-Joo Lee . . . . 27472 1 3 Minyun Zhou . . . . 27472 1 4 Alan Rigby . . . . 27472 1 5 Sharon Townson . . . . 27472 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27472 _Assembly.ID 1 _Assembly.Name K-Ras4B _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 'Ras Family Protein' _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 'GTPase KRAS' 1 $K-RAS4B A . yes native no no . . . 27472 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_K-RAS4B _Entity.Sf_category entity _Entity.Sf_framecode K-RAS4B _Entity.Entry_ID 27472 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name K-RAS4B _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTEYKLVVVGACGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHHYREQI KRVKDSEDVPMVLVGNKCDL PSRTVDTKQAQDLARSYGIP FIETSAKTRQGVDDAFYTLV REIRKHKEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 169 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27472 1 2 2 THR . 27472 1 3 3 GLU . 27472 1 4 4 TYR . 27472 1 5 5 LYS . 27472 1 6 6 LEU . 27472 1 7 7 VAL . 27472 1 8 8 VAL . 27472 1 9 9 VAL . 27472 1 10 10 GLY . 27472 1 11 11 ALA . 27472 1 12 12 CYS . 27472 1 13 13 GLY . 27472 1 14 14 VAL . 27472 1 15 15 GLY . 27472 1 16 16 LYS . 27472 1 17 17 SER . 27472 1 18 18 ALA . 27472 1 19 19 LEU . 27472 1 20 20 THR . 27472 1 21 21 ILE . 27472 1 22 22 GLN . 27472 1 23 23 LEU . 27472 1 24 24 ILE . 27472 1 25 25 GLN . 27472 1 26 26 ASN . 27472 1 27 27 HIS . 27472 1 28 28 PHE . 27472 1 29 29 VAL . 27472 1 30 30 ASP . 27472 1 31 31 GLU . 27472 1 32 32 TYR . 27472 1 33 33 ASP . 27472 1 34 34 PRO . 27472 1 35 35 THR . 27472 1 36 36 ILE . 27472 1 37 37 GLU . 27472 1 38 38 ASP . 27472 1 39 39 SER . 27472 1 40 40 TYR . 27472 1 41 41 ARG . 27472 1 42 42 LYS . 27472 1 43 43 GLN . 27472 1 44 44 VAL . 27472 1 45 45 VAL . 27472 1 46 46 ILE . 27472 1 47 47 ASP . 27472 1 48 48 GLY . 27472 1 49 49 GLU . 27472 1 50 50 THR . 27472 1 51 51 CYS . 27472 1 52 52 LEU . 27472 1 53 53 LEU . 27472 1 54 54 ASP . 27472 1 55 55 ILE . 27472 1 56 56 LEU . 27472 1 57 57 ASP . 27472 1 58 58 THR . 27472 1 59 59 ALA . 27472 1 60 60 GLY . 27472 1 61 61 GLN . 27472 1 62 62 GLU . 27472 1 63 63 GLU . 27472 1 64 64 TYR . 27472 1 65 65 SER . 27472 1 66 66 ALA . 27472 1 67 67 MET . 27472 1 68 68 ARG . 27472 1 69 69 ASP . 27472 1 70 70 GLN . 27472 1 71 71 TYR . 27472 1 72 72 MET . 27472 1 73 73 ARG . 27472 1 74 74 THR . 27472 1 75 75 GLY . 27472 1 76 76 GLU . 27472 1 77 77 GLY . 27472 1 78 78 PHE . 27472 1 79 79 LEU . 27472 1 80 80 CYS . 27472 1 81 81 VAL . 27472 1 82 82 PHE . 27472 1 83 83 ALA . 27472 1 84 84 ILE . 27472 1 85 85 ASN . 27472 1 86 86 ASN . 27472 1 87 87 THR . 27472 1 88 88 LYS . 27472 1 89 89 SER . 27472 1 90 90 PHE . 27472 1 91 91 GLU . 27472 1 92 92 ASP . 27472 1 93 93 ILE . 27472 1 94 94 HIS . 27472 1 95 95 HIS . 27472 1 96 96 TYR . 27472 1 97 97 ARG . 27472 1 98 98 GLU . 27472 1 99 99 GLN . 27472 1 100 100 ILE . 27472 1 101 101 LYS . 27472 1 102 102 ARG . 27472 1 103 103 VAL . 27472 1 104 104 LYS . 27472 1 105 105 ASP . 27472 1 106 106 SER . 27472 1 107 107 GLU . 27472 1 108 108 ASP . 27472 1 109 109 VAL . 27472 1 110 110 PRO . 27472 1 111 111 MET . 27472 1 112 112 VAL . 27472 1 113 113 LEU . 27472 1 114 114 VAL . 27472 1 115 115 GLY . 27472 1 116 116 ASN . 27472 1 117 117 LYS . 27472 1 118 118 CYS . 27472 1 119 119 ASP . 27472 1 120 120 LEU . 27472 1 121 121 PRO . 27472 1 122 122 SER . 27472 1 123 123 ARG . 27472 1 124 124 THR . 27472 1 125 125 VAL . 27472 1 126 126 ASP . 27472 1 127 127 THR . 27472 1 128 128 LYS . 27472 1 129 129 GLN . 27472 1 130 130 ALA . 27472 1 131 131 GLN . 27472 1 132 132 ASP . 27472 1 133 133 LEU . 27472 1 134 134 ALA . 27472 1 135 135 ARG . 27472 1 136 136 SER . 27472 1 137 137 TYR . 27472 1 138 138 GLY . 27472 1 139 139 ILE . 27472 1 140 140 PRO . 27472 1 141 141 PHE . 27472 1 142 142 ILE . 27472 1 143 143 GLU . 27472 1 144 144 THR . 27472 1 145 145 SER . 27472 1 146 146 ALA . 27472 1 147 147 LYS . 27472 1 148 148 THR . 27472 1 149 149 ARG . 27472 1 150 150 GLN . 27472 1 151 151 GLY . 27472 1 152 152 VAL . 27472 1 153 153 ASP . 27472 1 154 154 ASP . 27472 1 155 155 ALA . 27472 1 156 156 PHE . 27472 1 157 157 TYR . 27472 1 158 158 THR . 27472 1 159 159 LEU . 27472 1 160 160 VAL . 27472 1 161 161 ARG . 27472 1 162 162 GLU . 27472 1 163 163 ILE . 27472 1 164 164 ARG . 27472 1 165 165 LYS . 27472 1 166 166 HIS . 27472 1 167 167 LYS . 27472 1 168 168 GLU . 27472 1 169 169 LYS . 27472 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27472 1 . THR 2 2 27472 1 . GLU 3 3 27472 1 . TYR 4 4 27472 1 . LYS 5 5 27472 1 . LEU 6 6 27472 1 . VAL 7 7 27472 1 . VAL 8 8 27472 1 . VAL 9 9 27472 1 . GLY 10 10 27472 1 . ALA 11 11 27472 1 . CYS 12 12 27472 1 . GLY 13 13 27472 1 . VAL 14 14 27472 1 . GLY 15 15 27472 1 . LYS 16 16 27472 1 . SER 17 17 27472 1 . ALA 18 18 27472 1 . LEU 19 19 27472 1 . THR 20 20 27472 1 . ILE 21 21 27472 1 . GLN 22 22 27472 1 . LEU 23 23 27472 1 . ILE 24 24 27472 1 . GLN 25 25 27472 1 . ASN 26 26 27472 1 . HIS 27 27 27472 1 . PHE 28 28 27472 1 . VAL 29 29 27472 1 . ASP 30 30 27472 1 . GLU 31 31 27472 1 . TYR 32 32 27472 1 . ASP 33 33 27472 1 . PRO 34 34 27472 1 . THR 35 35 27472 1 . ILE 36 36 27472 1 . GLU 37 37 27472 1 . ASP 38 38 27472 1 . SER 39 39 27472 1 . TYR 40 40 27472 1 . ARG 41 41 27472 1 . LYS 42 42 27472 1 . GLN 43 43 27472 1 . VAL 44 44 27472 1 . VAL 45 45 27472 1 . ILE 46 46 27472 1 . ASP 47 47 27472 1 . GLY 48 48 27472 1 . GLU 49 49 27472 1 . THR 50 50 27472 1 . CYS 51 51 27472 1 . LEU 52 52 27472 1 . LEU 53 53 27472 1 . ASP 54 54 27472 1 . ILE 55 55 27472 1 . LEU 56 56 27472 1 . ASP 57 57 27472 1 . THR 58 58 27472 1 . ALA 59 59 27472 1 . GLY 60 60 27472 1 . GLN 61 61 27472 1 . GLU 62 62 27472 1 . GLU 63 63 27472 1 . TYR 64 64 27472 1 . SER 65 65 27472 1 . ALA 66 66 27472 1 . MET 67 67 27472 1 . ARG 68 68 27472 1 . ASP 69 69 27472 1 . GLN 70 70 27472 1 . TYR 71 71 27472 1 . MET 72 72 27472 1 . ARG 73 73 27472 1 . THR 74 74 27472 1 . GLY 75 75 27472 1 . GLU 76 76 27472 1 . GLY 77 77 27472 1 . PHE 78 78 27472 1 . LEU 79 79 27472 1 . CYS 80 80 27472 1 . VAL 81 81 27472 1 . PHE 82 82 27472 1 . ALA 83 83 27472 1 . ILE 84 84 27472 1 . ASN 85 85 27472 1 . ASN 86 86 27472 1 . THR 87 87 27472 1 . LYS 88 88 27472 1 . SER 89 89 27472 1 . PHE 90 90 27472 1 . GLU 91 91 27472 1 . ASP 92 92 27472 1 . ILE 93 93 27472 1 . HIS 94 94 27472 1 . HIS 95 95 27472 1 . TYR 96 96 27472 1 . ARG 97 97 27472 1 . GLU 98 98 27472 1 . GLN 99 99 27472 1 . ILE 100 100 27472 1 . LYS 101 101 27472 1 . ARG 102 102 27472 1 . VAL 103 103 27472 1 . LYS 104 104 27472 1 . ASP 105 105 27472 1 . SER 106 106 27472 1 . GLU 107 107 27472 1 . ASP 108 108 27472 1 . VAL 109 109 27472 1 . PRO 110 110 27472 1 . MET 111 111 27472 1 . VAL 112 112 27472 1 . LEU 113 113 27472 1 . VAL 114 114 27472 1 . GLY 115 115 27472 1 . ASN 116 116 27472 1 . LYS 117 117 27472 1 . CYS 118 118 27472 1 . ASP 119 119 27472 1 . LEU 120 120 27472 1 . PRO 121 121 27472 1 . SER 122 122 27472 1 . ARG 123 123 27472 1 . THR 124 124 27472 1 . VAL 125 125 27472 1 . ASP 126 126 27472 1 . THR 127 127 27472 1 . LYS 128 128 27472 1 . GLN 129 129 27472 1 . ALA 130 130 27472 1 . GLN 131 131 27472 1 . ASP 132 132 27472 1 . LEU 133 133 27472 1 . ALA 134 134 27472 1 . ARG 135 135 27472 1 . SER 136 136 27472 1 . TYR 137 137 27472 1 . GLY 138 138 27472 1 . ILE 139 139 27472 1 . PRO 140 140 27472 1 . PHE 141 141 27472 1 . ILE 142 142 27472 1 . GLU 143 143 27472 1 . THR 144 144 27472 1 . SER 145 145 27472 1 . ALA 146 146 27472 1 . LYS 147 147 27472 1 . THR 148 148 27472 1 . ARG 149 149 27472 1 . GLN 150 150 27472 1 . GLY 151 151 27472 1 . VAL 152 152 27472 1 . ASP 153 153 27472 1 . ASP 154 154 27472 1 . ALA 155 155 27472 1 . PHE 156 156 27472 1 . TYR 157 157 27472 1 . THR 158 158 27472 1 . LEU 159 159 27472 1 . VAL 160 160 27472 1 . ARG 161 161 27472 1 . GLU 162 162 27472 1 . ILE 163 163 27472 1 . ARG 164 164 27472 1 . LYS 165 165 27472 1 . HIS 166 166 27472 1 . LYS 167 167 27472 1 . GLU 168 168 27472 1 . LYS 169 169 27472 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 27472 _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 $K-RAS4B . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27472 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 27472 _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 $K-RAS4B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27472 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27472 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 K-RAS4B '[U-99% 13C; U-99% 15N; U-95% 2H]' . . 1 $K-RAS4B . . 1 . . mM 0.1 . . . 27472 1 2 K-RAS4B '[U-99% 13C; U-99% 15N]' . . 1 $K-RAS4B . . 1 . . mM 0.1 . . . 27472 1 3 D2O [U-2H] . . . . . . 7 . . % 0.5 . . . 27472 1 4 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 27472 1 5 TRIS [U-2H] . . . . . . 50 . . mM 1 . . . 27472 1 6 TCEP [U-2H] . . . . . . 1 . . mM 0.05 . . . 27472 1 7 MgCl2 'natural abundance' . . . . . . 1 . . mM 0.001 . . . 27472 1 8 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.05 . . . 27472 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27472 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 27472 1 pH 7 . pH 27472 1 pressure 1 . atm 27472 1 temperature 298 . K 27472 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27472 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 2017.048.14.32 _Software.DOI . _Software.Details 'NMR data processing and spectrum visualization' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN http://www.ccpn.ac.uk/v2-software/software/analysis http://www.ccpn.ac.uk/v2-software/software/analysis 27472 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' https://www.ibbr.umd.edu/nmrpipe/install.html https://www.ibbr.umd.edu/nmrpipe/install.html 27472 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27472 1 processing 27472 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27472 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27472 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Bruker Avance . 800 . . . 27472 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 27472 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27472 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27472 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27472 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27472 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27472 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27472 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27472 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27472 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27472 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27472 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27472 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27472 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27472 _Assigned_chem_shift_list.ID 1 _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 $chemical_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-15N HSQC' . . . 27472 1 2 '3D HNCACB' . . . 27472 1 3 '3D CBCA(CO)NH' . . . 27472 1 4 '3D HNCA' . . . 27472 1 5 '3D HN(CO)CA' . . . 27472 1 6 '3D HNCO' . . . 27472 1 7 '3D 1H-15N TOCSY' . . . 27472 1 8 '3D C(CO)NH' . . . 27472 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 175.25 0.12 . 1 . . . . . 1 MET C . 27472 1 2 . 1 1 1 1 MET CA C 13 55.35 0.3 . 1 . . . . . 1 MET CA . 27472 1 3 . 1 1 1 1 MET CB C 13 33.78 0.3 . 1 . . . . . 1 MET CB . 27472 1 4 . 1 1 1 1 MET CG C 13 30.34 0.3 . 1 . . . . . 1 MET CG . 27472 1 5 . 1 1 2 2 THR H H 1 8.686 0.01 . 1 . . . . . 2 THR H . 27472 1 6 . 1 1 2 2 THR HA H 1 4.043 0.01 . 1 . . . . . 2 THR HA . 27472 1 7 . 1 1 2 2 THR HB H 1 3.891 0.01 . 1 . . . . . 2 THR HB . 27472 1 8 . 1 1 2 2 THR HG21 H 1 0.751 0.01 . 1 . . . . . 2 THR HG1 . 27472 1 9 . 1 1 2 2 THR HG22 H 1 0.751 0.01 . 1 . . . . . 2 THR HG1 . 27472 1 10 . 1 1 2 2 THR HG23 H 1 0.751 0.01 . 1 . . . . . 2 THR HG1 . 27472 1 11 . 1 1 2 2 THR C C 13 171.97 0.12 . 1 . . . . . 2 THR C . 27472 1 12 . 1 1 2 2 THR CA C 13 62.98 0.3 . 1 . . . . . 2 THR CA . 27472 1 13 . 1 1 2 2 THR CB C 13 69.50 0.3 . 1 . . . . . 2 THR CB . 27472 1 14 . 1 1 2 2 THR N N 15 123.91 0.25 . 1 . . . . . 2 THR N . 27472 1 15 . 1 1 3 3 GLU H H 1 8.266 0.01 . 1 . . . . . 3 GLU H . 27472 1 16 . 1 1 3 3 GLU HA H 1 5.299 0.01 . 1 . . . . . 3 GLU HA . 27472 1 17 . 1 1 3 3 GLU HB2 H 1 1.838 0.01 . 2 . . . . . 3 GLU HB2 . 27472 1 18 . 1 1 3 3 GLU HB3 H 1 1.838 0.01 . 2 . . . . . 3 GLU HB3 . 27472 1 19 . 1 1 3 3 GLU HG2 H 1 2.007 0.01 . 2 . . . . . 3 GLU HG2 . 27472 1 20 . 1 1 3 3 GLU HG3 H 1 2.007 0.01 . 2 . . . . . 3 GLU HG3 . 27472 1 21 . 1 1 3 3 GLU C C 13 175.05 0.12 . 1 . . . . . 3 GLU C . 27472 1 22 . 1 1 3 3 GLU CA C 13 53.75 0.3 . 1 . . . . . 3 GLU CA . 27472 1 23 . 1 1 3 3 GLU CB C 13 31.49 0.3 . 1 . . . . . 3 GLU CB . 27472 1 24 . 1 1 3 3 GLU CG C 13 35.40 0.3 . 1 . . . . . 3 GLU CG . 27472 1 25 . 1 1 3 3 GLU N N 15 127.30 0.25 . 1 . . . . . 3 GLU N . 27472 1 26 . 1 1 4 4 TYR H H 1 8.661 0.01 . 1 . . . . . 4 TYR H . 27472 1 27 . 1 1 4 4 TYR HA H 1 5.066 0.01 . 1 . . . . . 4 TYR HA . 27472 1 28 . 1 1 4 4 TYR HB2 H 1 2.658 0.01 . 2 . . . . . 4 TYR HB2 . 27472 1 29 . 1 1 4 4 TYR HB3 H 1 2.658 0.01 . 2 . . . . . 4 TYR HB3 . 27472 1 30 . 1 1 4 4 TYR C C 13 174.89 0.12 . 1 . . . . . 4 TYR C . 27472 1 31 . 1 1 4 4 TYR CA C 13 56.45 0.3 . 1 . . . . . 4 TYR CA . 27472 1 32 . 1 1 4 4 TYR CB C 13 41.52 0.3 . 1 . . . . . 4 TYR CB . 27472 1 33 . 1 1 4 4 TYR N N 15 122.69 0.25 . 1 . . . . . 4 TYR N . 27472 1 34 . 1 1 5 5 LYS H H 1 9.064 0.01 . 1 . . . . . 5 LYS H . 27472 1 35 . 1 1 5 5 LYS HA H 1 5.167 0.01 . 1 . . . . . 5 LYS HA . 27472 1 36 . 1 1 5 5 LYS HB2 H 1 1.940 0.01 . 2 . . . . . 5 LYS HB2 . 27472 1 37 . 1 1 5 5 LYS HB3 H 1 1.940 0.01 . 2 . . . . . 5 LYS HB3 . 27472 1 38 . 1 1 5 5 LYS C C 13 174.60 0.12 . 1 . . . . . 5 LYS C . 27472 1 39 . 1 1 5 5 LYS CA C 13 55.11 0.3 . 1 . . . . . 5 LYS CA . 27472 1 40 . 1 1 5 5 LYS CB C 13 31.79 0.3 . 1 . . . . . 5 LYS CB . 27472 1 41 . 1 1 5 5 LYS CG C 13 23.88 0.3 . 1 . . . . . 5 LYS CG . 27472 1 42 . 1 1 5 5 LYS CD C 13 28.47 0.3 . 1 . . . . . 5 LYS CD . 27472 1 43 . 1 1 5 5 LYS N N 15 123.90 0.25 . 1 . . . . . 5 LYS N . 27472 1 44 . 1 1 6 6 LEU H H 1 9.196 0.01 . 1 . . . . . 6 LEU H . 27472 1 45 . 1 1 6 6 LEU HA H 1 4.895 0.01 . 1 . . . . . 6 LEU HA . 27472 1 46 . 1 1 6 6 LEU HB2 H 1 1.854 0.01 . 2 . . . . . 6 LEU HB2 . 27472 1 47 . 1 1 6 6 LEU HB3 H 1 1.854 0.01 . 2 . . . . . 6 LEU HB3 . 27472 1 48 . 1 1 6 6 LEU HG H 1 1.184 0.01 . 1 . . . . . 6 LEU HG . 27472 1 49 . 1 1 6 6 LEU C C 13 175.52 0.12 . 1 . . . . . 6 LEU C . 27472 1 50 . 1 1 6 6 LEU CA C 13 52.72 0.3 . 1 . . . . . 6 LEU CA . 27472 1 51 . 1 1 6 6 LEU CB C 13 42.87 0.3 . 1 . . . . . 6 LEU CB . 27472 1 52 . 1 1 6 6 LEU N N 15 126.66 0.25 . 1 . . . . . 6 LEU N . 27472 1 53 . 1 1 7 7 VAL H H 1 8.066 0.01 . 1 . . . . . 7 VAL H . 27472 1 54 . 1 1 7 7 VAL C C 13 174.53 0.12 . 1 . . . . . 7 VAL C . 27472 1 55 . 1 1 7 7 VAL CA C 13 60.30 0.3 . 1 . . . . . 7 VAL CA . 27472 1 56 . 1 1 7 7 VAL CB C 13 33.72 0.3 . 1 . . . . . 7 VAL CB . 27472 1 57 . 1 1 7 7 VAL N N 15 122.41 0.25 . 1 . . . . . 7 VAL N . 27472 1 58 . 1 1 8 8 VAL H H 1 8.760 0.01 . 1 . . . . . 8 VAL H . 27472 1 59 . 1 1 8 8 VAL HA H 1 4.700 0.01 . 1 . . . . . 8 VAL HA . 27472 1 60 . 1 1 8 8 VAL HB H 1 2.350 0.01 . 1 . . . . . 8 VAL HB . 27472 1 61 . 1 1 8 8 VAL HG11 H 1 0.948 0.01 . 2 . . . . . 8 VAL MG1 . 27472 1 62 . 1 1 8 8 VAL HG12 H 1 0.948 0.01 . 2 . . . . . 8 VAL MG1 . 27472 1 63 . 1 1 8 8 VAL HG13 H 1 0.948 0.01 . 2 . . . . . 8 VAL MG1 . 27472 1 64 . 1 1 8 8 VAL HG21 H 1 0.948 0.01 . 2 . . . . . 8 VAL MG2 . 27472 1 65 . 1 1 8 8 VAL HG22 H 1 0.948 0.01 . 2 . . . . . 8 VAL MG2 . 27472 1 66 . 1 1 8 8 VAL HG23 H 1 0.948 0.01 . 2 . . . . . 8 VAL MG2 . 27472 1 67 . 1 1 8 8 VAL C C 13 175.23 0.12 . 1 . . . . . 8 VAL C . 27472 1 68 . 1 1 8 8 VAL CA C 13 61.60 0.3 . 1 . . . . . 8 VAL CA . 27472 1 69 . 1 1 8 8 VAL CB C 13 32.03 0.3 . 1 . . . . . 8 VAL CB . 27472 1 70 . 1 1 8 8 VAL CG1 C 13 21.25 0.3 . 2 . . . . . 8 VAL CG1 . 27472 1 71 . 1 1 8 8 VAL CG2 C 13 21.25 0.3 . 2 . . . . . 8 VAL CG2 . 27472 1 72 . 1 1 8 8 VAL N N 15 129.58 0.25 . 1 . . . . . 8 VAL N . 27472 1 73 . 1 1 9 9 VAL H H 1 9.011 0.01 . 1 . . . . . 9 VAL H . 27472 1 74 . 1 1 9 9 VAL HA H 1 4.627 0.01 . 1 . . . . . 9 VAL HA . 27472 1 75 . 1 1 9 9 VAL HB H 1 2.091 0.01 . 1 . . . . . 9 VAL HB . 27472 1 76 . 1 1 9 9 VAL C C 13 173.25 0.12 . 1 . . . . . 9 VAL C . 27472 1 77 . 1 1 9 9 VAL CA C 13 58.66 0.3 . 1 . . . . . 9 VAL CA . 27472 1 78 . 1 1 9 9 VAL CB C 13 35.02 0.3 . 1 . . . . . 9 VAL CB . 27472 1 79 . 1 1 9 9 VAL N N 15 120.44 0.25 . 1 . . . . . 9 VAL N . 27472 1 80 . 1 1 10 10 GLY C C 13 172.69 0.12 . 1 . . . . . 10 GLY C . 27472 1 81 . 1 1 10 10 GLY CA C 13 43.39 0.3 . 1 . . . . . 10 GLY CA . 27472 1 82 . 1 1 11 11 ALA H H 1 8.944 0.01 . 1 . . . . . 11 ALA H . 27472 1 83 . 1 1 11 11 ALA HA H 1 3.497 0.01 . 1 . . . . . 11 ALA HA . 27472 1 84 . 1 1 11 11 ALA HB1 H 1 1.656 0.01 . 1 . . . . . 11 ALA MB . 27472 1 85 . 1 1 11 11 ALA HB2 H 1 1.656 0.01 . 1 . . . . . 11 ALA MB . 27472 1 86 . 1 1 11 11 ALA HB3 H 1 1.656 0.01 . 1 . . . . . 11 ALA MB . 27472 1 87 . 1 1 11 11 ALA C C 13 177.43 0.12 . 1 . . . . . 11 ALA C . 27472 1 88 . 1 1 11 11 ALA CA C 13 52.02 0.3 . 1 . . . . . 11 ALA CA . 27472 1 89 . 1 1 11 11 ALA CB C 13 19.42 0.3 . 1 . . . . . 11 ALA CB . 27472 1 90 . 1 1 11 11 ALA N N 15 121.69 0.25 . 1 . . . . . 11 ALA N . 27472 1 91 . 1 1 13 13 GLY C C 13 173.99 0.12 . 1 . . . . . 13 GLY C . 27472 1 92 . 1 1 13 13 GLY CA C 13 45.46 0.3 . 1 . . . . . 13 GLY CA . 27472 1 93 . 1 1 14 14 VAL H H 1 7.383 0.01 . 1 . . . . . 14 VAL H . 27472 1 94 . 1 1 14 14 VAL HA H 1 3.994 0.01 . 1 . . . . . 14 VAL HA . 27472 1 95 . 1 1 14 14 VAL HB H 1 1.864 0.01 . 1 . . . . . 14 VAL HB . 27472 1 96 . 1 1 14 14 VAL C C 13 174.60 0.12 . 1 . . . . . 14 VAL C . 27472 1 97 . 1 1 14 14 VAL CA C 13 62.51 0.3 . 1 . . . . . 14 VAL CA . 27472 1 98 . 1 1 14 14 VAL CB C 13 31.62 0.3 . 1 . . . . . 14 VAL CB . 27472 1 99 . 1 1 14 14 VAL N N 15 112.95 0.25 . 1 . . . . . 14 VAL N . 27472 1 100 . 1 1 15 15 GLY H H 1 8.213 0.01 . 1 . . . . . 15 GLY H . 27472 1 101 . 1 1 15 15 GLY HA2 H 1 4.259 0.01 . 2 . . . . . 15 GLY HA2 . 27472 1 102 . 1 1 15 15 GLY HA3 H 1 4.259 0.01 . 2 . . . . . 15 GLY HA3 . 27472 1 103 . 1 1 15 15 GLY CA C 13 45.47 0.3 . 1 . . . . . 15 GLY CA . 27472 1 104 . 1 1 15 15 GLY N N 15 108.30 0.25 . 1 . . . . . 15 GLY N . 27472 1 105 . 1 1 16 16 LYS C C 13 179.07 0.12 . 1 . . . . . 16 LYS C . 27472 1 106 . 1 1 16 16 LYS CA C 13 60.73 0.3 . 1 . . . . . 16 LYS CA . 27472 1 107 . 1 1 16 16 LYS CB C 13 29.46 0.3 . 1 . . . . . 16 LYS CB . 27472 1 108 . 1 1 16 16 LYS CG C 13 22.42 0.3 . 1 . . . . . 16 LYS CG . 27472 1 109 . 1 1 16 16 LYS CD C 13 28.97 0.3 . 1 . . . . . 16 LYS CD . 27472 1 110 . 1 1 17 17 SER H H 1 9.358 0.01 . 1 . . . . . 17 SER H . 27472 1 111 . 1 1 17 17 SER CA C 13 60.86 0.3 . 1 . . . . . 17 SER CA . 27472 1 112 . 1 1 17 17 SER N N 15 120.58 0.25 . 1 . . . . . 17 SER N . 27472 1 113 . 1 1 18 18 ALA H H 1 9.383 0.01 . 1 . . . . . 18 ALA H . 27472 1 114 . 1 1 18 18 ALA C C 13 182.31 0.12 . 1 . . . . . 18 ALA C . 27472 1 115 . 1 1 18 18 ALA CA C 13 53.92 0.3 . 1 . . . . . 18 ALA CA . 27472 1 116 . 1 1 18 18 ALA CB C 13 17.99 0.3 . 1 . . . . . 18 ALA CB . 27472 1 117 . 1 1 18 18 ALA N N 15 126.76 0.25 . 1 . . . . . 18 ALA N . 27472 1 118 . 1 1 19 19 LEU H H 1 8.745 0.01 . 1 . . . . . 19 LEU H . 27472 1 119 . 1 1 19 19 LEU HA H 1 3.885 0.01 . 1 . . . . . 19 LEU HA . 27472 1 120 . 1 1 19 19 LEU HB2 H 1 2.290 0.01 . 2 . . . . . 19 LEU HB2 . 27472 1 121 . 1 1 19 19 LEU HB3 H 1 2.290 0.01 . 2 . . . . . 19 LEU HB3 . 27472 1 122 . 1 1 19 19 LEU C C 13 177.59 0.12 . 1 . . . . . 19 LEU C . 27472 1 123 . 1 1 19 19 LEU CA C 13 58.35 0.3 . 1 . . . . . 19 LEU CA . 27472 1 124 . 1 1 19 19 LEU CB C 13 42.72 0.3 . 1 . . . . . 19 LEU CB . 27472 1 125 . 1 1 19 19 LEU CG C 13 25.74 0.3 . 1 . . . . . 19 LEU CG . 27472 1 126 . 1 1 19 19 LEU CD1 C 13 23.75 0.3 . 2 . . . . . 19 LEU CD1 . 27472 1 127 . 1 1 19 19 LEU CD2 C 13 23.75 0.3 . 2 . . . . . 19 LEU CD2 . 27472 1 128 . 1 1 19 19 LEU N N 15 120.59 0.25 . 1 . . . . . 19 LEU N . 27472 1 129 . 1 1 20 20 THR H H 1 7.557 0.01 . 1 . . . . . 20 THR H . 27472 1 130 . 1 1 20 20 THR HA H 1 3.424 0.01 . 1 . . . . . 20 THR HA . 27472 1 131 . 1 1 20 20 THR HB H 1 2.185 0.01 . 1 . . . . . 20 THR HB . 27472 1 132 . 1 1 20 20 THR HG21 H 1 0.584 0.01 . 1 . . . . . 20 THR HG1 . 27472 1 133 . 1 1 20 20 THR HG22 H 1 0.584 0.01 . 1 . . . . . 20 THR HG1 . 27472 1 134 . 1 1 20 20 THR HG23 H 1 0.584 0.01 . 1 . . . . . 20 THR HG1 . 27472 1 135 . 1 1 20 20 THR CA C 13 67.59 0.3 . 1 . . . . . 20 THR CA . 27472 1 136 . 1 1 20 20 THR CB C 13 66.60 0.3 . 1 . . . . . 20 THR CB . 27472 1 137 . 1 1 20 20 THR N N 15 117.66 0.25 . 1 . . . . . 20 THR N . 27472 1 138 . 1 1 22 22 GLN HB2 H 1 1.795 0.01 . 2 . . . . . 22 GLN HB2 . 27472 1 139 . 1 1 22 22 GLN HB3 H 1 1.795 0.01 . 2 . . . . . 22 GLN HB3 . 27472 1 140 . 1 1 22 22 GLN C C 13 177.08 0.12 . 1 . . . . . 22 GLN C . 27472 1 141 . 1 1 22 22 GLN CA C 13 58.86 0.3 . 1 . . . . . 22 GLN CA . 27472 1 142 . 1 1 22 22 GLN CB C 13 28.70 0.3 . 1 . . . . . 22 GLN CB . 27472 1 143 . 1 1 22 22 GLN CG C 13 32.42 0.3 . 1 . . . . . 22 GLN CG . 27472 1 144 . 1 1 23 23 LEU H H 1 7.567 0.01 . 1 . . . . . 23 LEU H . 27472 1 145 . 1 1 23 23 LEU C C 13 178.33 0.12 . 1 . . . . . 23 LEU C . 27472 1 146 . 1 1 23 23 LEU CA C 13 57.77 0.3 . 1 . . . . . 23 LEU CA . 27472 1 147 . 1 1 23 23 LEU CB C 13 40.52 0.3 . 1 . . . . . 23 LEU CB . 27472 1 148 . 1 1 23 23 LEU CG C 13 25.11 0.3 . 1 . . . . . 23 LEU CG . 27472 1 149 . 1 1 23 23 LEU CD1 C 13 25.11 0.3 . 2 . . . . . 23 LEU CD1 . 27472 1 150 . 1 1 23 23 LEU CD2 C 13 25.11 0.3 . 2 . . . . . 23 LEU CD2 . 27472 1 151 . 1 1 23 23 LEU N N 15 121.10 0.25 . 1 . . . . . 23 LEU N . 27472 1 152 . 1 1 24 24 ILE H H 1 8.049 0.01 . 1 . . . . . 24 ILE H . 27472 1 153 . 1 1 24 24 ILE HA H 1 3.709 0.01 . 1 . . . . . 24 ILE HA . 27472 1 154 . 1 1 24 24 ILE HB H 1 1.766 0.01 . 1 . . . . . 24 ILE HB . 27472 1 155 . 1 1 24 24 ILE HG12 H 1 0.992 0.01 . 2 . . . . . 24 ILE HG12 . 27472 1 156 . 1 1 24 24 ILE HG13 H 1 0.253 0.01 . 2 . . . . . 24 ILE HG13 . 27472 1 157 . 1 1 24 24 ILE C C 13 177.60 0.12 . 1 . . . . . 24 ILE C . 27472 1 158 . 1 1 24 24 ILE CA C 13 61.58 0.3 . 1 . . . . . 24 ILE CA . 27472 1 159 . 1 1 24 24 ILE CB C 13 37.27 0.3 . 1 . . . . . 24 ILE CB . 27472 1 160 . 1 1 24 24 ILE CG1 C 13 25.06 0.3 . 1 . . . . . 24 ILE CG1 . 27472 1 161 . 1 1 24 24 ILE CG2 C 13 16.79 0.3 . 1 . . . . . 24 ILE CG2 . 27472 1 162 . 1 1 24 24 ILE N N 15 114.24 0.01 . 1 . . . . . 24 ILE N . 27472 1 163 . 1 1 25 25 GLN H H 1 8.824 0.01 . 1 . . . . . 25 GLN H . 27472 1 164 . 1 1 25 25 GLN HA H 1 4.582 0.01 . 1 . . . . . 25 GLN HA . 27472 1 165 . 1 1 25 25 GLN HB2 H 1 1.885 0.01 . 2 . . . . . 25 GLN HB2 . 27472 1 166 . 1 1 25 25 GLN HB3 H 1 1.885 0.01 . 2 . . . . . 25 GLN HB3 . 27472 1 167 . 1 1 25 25 GLN C C 13 176.40 0.12 . 1 . . . . . 25 GLN C . 27472 1 168 . 1 1 25 25 GLN CA C 13 54.74 0.3 . 1 . . . . . 25 GLN CA . 27472 1 169 . 1 1 25 25 GLN CB C 13 30.20 0.3 . 1 . . . . . 25 GLN CB . 27472 1 170 . 1 1 25 25 GLN CG C 13 32.99 0.3 . 1 . . . . . 25 GLN CG . 27472 1 171 . 1 1 25 25 GLN N N 15 116.40 0.25 . 1 . . . . . 25 GLN N . 27472 1 172 . 1 1 26 26 ASN H H 1 7.955 0.01 . 1 . . . . . 26 ASN H . 27472 1 173 . 1 1 26 26 ASN HA H 1 4.841 0.01 . 1 . . . . . 26 ASN HA . 27472 1 174 . 1 1 26 26 ASN HB2 H 1 2.821 0.01 . 2 . . . . . 26 ASN HB2 . 27472 1 175 . 1 1 26 26 ASN HB3 H 1 3.111 0.01 . 2 . . . . . 26 ASN HB3 . 27472 1 176 . 1 1 26 26 ASN C C 13 174.21 0.12 . 1 . . . . . 26 ASN C . 27472 1 177 . 1 1 26 26 ASN CA C 13 54.18 0.3 . 1 . . . . . 26 ASN CA . 27472 1 178 . 1 1 26 26 ASN CB C 13 37.26 0.3 . 1 . . . . . 26 ASN CB . 27472 1 179 . 1 1 26 26 ASN N N 15 117.30 0.25 . 1 . . . . . 26 ASN N . 27472 1 180 . 1 1 27 27 HIS H H 1 6.658 0.01 . 1 . . . . . 27 HIS H . 27472 1 181 . 1 1 27 27 HIS C C 13 172.33 0.12 . 1 . . . . . 27 HIS C . 27472 1 182 . 1 1 27 27 HIS CA C 13 53.97 0.3 . 1 . . . . . 27 HIS CA . 27472 1 183 . 1 1 27 27 HIS CB C 13 31.78 0.3 . 1 . . . . . 27 HIS CB . 27472 1 184 . 1 1 27 27 HIS N N 15 112.32 0.25 . 1 . . . . . 27 HIS N . 27472 1 185 . 1 1 28 28 PHE H H 1 8.568 0.01 . 1 . . . . . 28 PHE H . 27472 1 186 . 1 1 28 28 PHE C C 13 174.42 0.12 . 1 . . . . . 28 PHE C . 27472 1 187 . 1 1 28 28 PHE CA C 13 55.00 0.3 . 1 . . . . . 28 PHE CA . 27472 1 188 . 1 1 28 28 PHE CB C 13 40.00 0.3 . 1 . . . . . 28 PHE CB . 27472 1 189 . 1 1 28 28 PHE N N 15 123.24 0.25 . 1 . . . . . 28 PHE N . 27472 1 190 . 1 1 42 42 LYS C C 13 173.69 0.12 . 1 . . . . . 42 LYS C . 27472 1 191 . 1 1 42 42 LYS CA C 13 55.15 0.3 . 1 . . . . . 42 LYS CA . 27472 1 192 . 1 1 42 42 LYS CB C 13 37.57 0.3 . 1 . . . . . 42 LYS CB . 27472 1 193 . 1 1 42 42 LYS CG C 13 24.16 0.3 . 1 . . . . . 42 LYS CG . 27472 1 194 . 1 1 42 42 LYS CD C 13 29.36 0.3 . 1 . . . . . 42 LYS CD . 27472 1 195 . 1 1 43 43 GLN H H 1 8.812 0.01 . 1 . . . . . 43 GLN H . 27472 1 196 . 1 1 43 43 GLN HA H 1 5.317 0.01 . 1 . . . . . 43 GLN HA . 27472 1 197 . 1 1 43 43 GLN HB2 H 1 1.965 0.01 . 2 . . . . . 43 GLN HB2 . 27472 1 198 . 1 1 43 43 GLN HB3 H 1 1.965 0.01 . 2 . . . . . 43 GLN HB3 . 27472 1 199 . 1 1 43 43 GLN HG2 H 1 2.204 0.01 . 2 . . . . . 43 GLN HG2 . 27472 1 200 . 1 1 43 43 GLN HG3 H 1 2.204 0.01 . 2 . . . . . 43 GLN HG3 . 27472 1 201 . 1 1 43 43 GLN C C 13 175.24 0.12 . 1 . . . . . 43 GLN C . 27472 1 202 . 1 1 43 43 GLN CA C 13 55.15 0.3 . 1 . . . . . 43 GLN CA . 27472 1 203 . 1 1 43 43 GLN CB C 13 29.45 0.3 . 1 . . . . . 43 GLN CB . 27472 1 204 . 1 1 43 43 GLN CG C 13 33.82 0.3 . 1 . . . . . 43 GLN CG . 27472 1 205 . 1 1 43 43 GLN N N 15 129.36 0.25 . 1 . . . . . 43 GLN N . 27472 1 206 . 1 1 44 44 VAL H H 1 8.982 0.01 . 1 . . . . . 44 VAL H . 27472 1 207 . 1 1 44 44 VAL HA H 1 3.520 0.01 . 1 . . . . . 44 VAL HA . 27472 1 208 . 1 1 44 44 VAL HG11 H 1 0.435 0.01 . 2 . . . . . 44 VAL MG1 . 27472 1 209 . 1 1 44 44 VAL HG12 H 1 0.435 0.01 . 2 . . . . . 44 VAL MG1 . 27472 1 210 . 1 1 44 44 VAL HG13 H 1 0.435 0.01 . 2 . . . . . 44 VAL MG1 . 27472 1 211 . 1 1 44 44 VAL HG21 H 1 0.833 0.01 . 2 . . . . . 44 VAL MG2 . 27472 1 212 . 1 1 44 44 VAL HG22 H 1 0.833 0.01 . 2 . . . . . 44 VAL MG2 . 27472 1 213 . 1 1 44 44 VAL HG23 H 1 0.833 0.01 . 2 . . . . . 44 VAL MG2 . 27472 1 214 . 1 1 44 44 VAL C C 13 173.19 0.12 . 1 . . . . . 44 VAL C . 27472 1 215 . 1 1 44 44 VAL CA C 13 59.34 0.3 . 1 . . . . . 44 VAL CA . 27472 1 216 . 1 1 44 44 VAL CB C 13 35.74 0.3 . 1 . . . . . 44 VAL CB . 27472 1 217 . 1 1 44 44 VAL CG1 C 13 20.75 0.3 . 2 . . . . . 44 VAL CG1 . 27472 1 218 . 1 1 44 44 VAL CG2 C 13 18.91 0.3 . 2 . . . . . 44 VAL CG2 . 27472 1 219 . 1 1 44 44 VAL N N 15 122.01 0.25 . 1 . . . . . 44 VAL N . 27472 1 220 . 1 1 45 45 VAL H H 1 8.046 0.01 . 1 . . . . . 45 VAL H . 27472 1 221 . 1 1 45 45 VAL HA H 1 4.659 0.01 . 1 . . . . . 45 VAL HA . 27472 1 222 . 1 1 45 45 VAL HB H 1 1.868 0.01 . 1 . . . . . 45 VAL HB . 27472 1 223 . 1 1 45 45 VAL HG11 H 1 0.890 0.01 . 2 . . . . . 45 VAL MG1 . 27472 1 224 . 1 1 45 45 VAL HG12 H 1 0.890 0.01 . 2 . . . . . 45 VAL MG1 . 27472 1 225 . 1 1 45 45 VAL HG13 H 1 0.890 0.01 . 2 . . . . . 45 VAL MG1 . 27472 1 226 . 1 1 45 45 VAL HG21 H 1 0.890 0.01 . 2 . . . . . 45 VAL MG2 . 27472 1 227 . 1 1 45 45 VAL HG22 H 1 0.890 0.01 . 2 . . . . . 45 VAL MG2 . 27472 1 228 . 1 1 45 45 VAL HG23 H 1 0.890 0.01 . 2 . . . . . 45 VAL MG2 . 27472 1 229 . 1 1 45 45 VAL C C 13 175.67 0.12 . 1 . . . . . 45 VAL C . 27472 1 230 . 1 1 45 45 VAL CA C 13 61.22 0.3 . 1 . . . . . 45 VAL CA . 27472 1 231 . 1 1 45 45 VAL CB C 13 31.79 0.3 . 1 . . . . . 45 VAL CB . 27472 1 232 . 1 1 45 45 VAL CG2 C 13 19.90 0.3 . 1 . . . . . 45 VAL CG2 . 27472 1 233 . 1 1 45 45 VAL N N 15 122.42 0.25 . 1 . . . . . 45 VAL N . 27472 1 234 . 1 1 46 46 ILE H H 1 8.263 0.01 . 1 . . . . . 46 ILE H . 27472 1 235 . 1 1 46 46 ILE HA H 1 3.968 0.01 . 1 . . . . . 46 ILE HA . 27472 1 236 . 1 1 46 46 ILE HB H 1 1.392 0.01 . 1 . . . . . 46 ILE HB . 27472 1 237 . 1 1 46 46 ILE HG12 H 1 0.538 0.01 . 2 . . . . . 46 ILE HG12 . 27472 1 238 . 1 1 46 46 ILE HG13 H 1 0.538 0.01 . 2 . . . . . 46 ILE HG13 . 27472 1 239 . 1 1 46 46 ILE C C 13 176.52 0.12 . 1 . . . . . 46 ILE C . 27472 1 240 . 1 1 46 46 ILE CA C 13 59.89 0.3 . 1 . . . . . 46 ILE CA . 27472 1 241 . 1 1 46 46 ILE CB C 13 39.58 0.3 . 1 . . . . . 46 ILE CB . 27472 1 242 . 1 1 46 46 ILE CG1 C 13 25.04 0.3 . 1 . . . . . 46 ILE CG1 . 27472 1 243 . 1 1 46 46 ILE CG2 C 13 15.36 0.3 . 1 . . . . . 46 ILE CG2 . 27472 1 244 . 1 1 46 46 ILE CD1 C 13 15.36 0.3 . 1 . . . . . 46 ILE CD1 . 27472 1 245 . 1 1 46 46 ILE N N 15 126.41 0.25 . 1 . . . . . 46 ILE N . 27472 1 246 . 1 1 47 47 ASP H H 1 9.442 0.01 . 1 . . . . . 47 ASP H . 27472 1 247 . 1 1 47 47 ASP C C 13 176.23 0.12 . 1 . . . . . 47 ASP C . 27472 1 248 . 1 1 47 47 ASP CA C 13 54.89 0.3 . 1 . . . . . 47 ASP CA . 27472 1 249 . 1 1 47 47 ASP CB C 13 39.51 0.3 . 1 . . . . . 47 ASP CB . 27472 1 250 . 1 1 47 47 ASP N N 15 130.52 0.25 . 1 . . . . . 47 ASP N . 27472 1 251 . 1 1 48 48 GLY H H 1 8.212 0.01 . 1 . . . . . 48 GLY H . 27472 1 252 . 1 1 48 48 GLY HA2 H 1 4.13 0.01 . 2 . . . . . 48 GLY HA2 . 27472 1 253 . 1 1 48 48 GLY HA3 H 1 3.453 0.01 . 2 . . . . . 48 GLY HA3 . 27472 1 254 . 1 1 48 48 GLY C C 13 173.14 0.12 . 1 . . . . . 48 GLY C . 27472 1 255 . 1 1 48 48 GLY CA C 13 44.85 0.3 . 1 . . . . . 48 GLY CA . 27472 1 256 . 1 1 48 48 GLY N N 15 103.76 0.25 . 1 . . . . . 48 GLY N . 27472 1 257 . 1 1 49 49 GLU H H 1 7.639 0.01 . 1 . . . . . 49 GLU H . 27472 1 258 . 1 1 49 49 GLU HA H 1 4.625 0.01 . 1 . . . . . 49 GLU HA . 27472 1 259 . 1 1 49 49 GLU HB2 H 1 2.094 0.01 . 2 . . . . . 49 GLU HB2 . 27472 1 260 . 1 1 49 49 GLU HB3 H 1 2.094 0.01 . 2 . . . . . 49 GLU HB3 . 27472 1 261 . 1 1 49 49 GLU HG2 H 1 1.825 0.01 . 2 . . . . . 49 GLU HG2 . 27472 1 262 . 1 1 49 49 GLU HG3 H 1 1.825 0.01 . 2 . . . . . 49 GLU HG3 . 27472 1 263 . 1 1 49 49 GLU C C 13 175.60 0.12 . 1 . . . . . 49 GLU C . 27472 1 264 . 1 1 49 49 GLU CA C 13 54.28 0.3 . 1 . . . . . 49 GLU CA . 27472 1 265 . 1 1 49 49 GLU CB C 13 31.44 0.3 . 1 . . . . . 49 GLU CB . 27472 1 266 . 1 1 49 49 GLU CG C 13 35.45 0.3 . 1 . . . . . 49 GLU CG . 27472 1 267 . 1 1 49 49 GLU N N 15 123.11 0.25 . 1 . . . . . 49 GLU N . 27472 1 268 . 1 1 50 50 THR H H 1 8.894 0.01 . 1 . . . . . 50 THR H . 27472 1 269 . 1 1 50 50 THR HA H 1 4.604 0.01 . 1 . . . . . 50 THR HA . 27472 1 270 . 1 1 50 50 THR HB H 1 4.121 0.01 . 1 . . . . . 50 THR HB . 27472 1 271 . 1 1 50 50 THR HG21 H 1 1.191 0.01 . 1 . . . . . 50 THR HG1 . 27472 1 272 . 1 1 50 50 THR HG22 H 1 1.191 0.01 . 1 . . . . . 50 THR HG1 . 27472 1 273 . 1 1 50 50 THR HG23 H 1 1.191 0.01 . 1 . . . . . 50 THR HG1 . 27472 1 274 . 1 1 50 50 THR C C 13 173.55 0.12 . 1 . . . . . 50 THR C . 27472 1 275 . 1 1 50 50 THR CA C 13 63.38 0.3 . 1 . . . . . 50 THR CA . 27472 1 276 . 1 1 50 50 THR CB C 13 68.34 0.3 . 1 . . . . . 50 THR CB . 27472 1 277 . 1 1 50 50 THR CG2 C 13 21.26 0.3 . 1 . . . . . 50 THR CG2 . 27472 1 278 . 1 1 50 50 THR N N 15 125.90 0.25 . 1 . . . . . 50 THR N . 27472 1 279 . 1 1 51 51 CYS H H 1 9.322 0.01 . 1 . . . . . 51 CYS H . 27472 1 280 . 1 1 51 51 CYS HA H 1 5.149 0.01 . 1 . . . . . 51 CYS HA . 27472 1 281 . 1 1 51 51 CYS HB2 H 1 2.873 0.01 . 2 . . . . . 51 CYS HB2 . 27472 1 282 . 1 1 51 51 CYS HB3 H 1 2.873 0.01 . 2 . . . . . 51 CYS HB3 . 27472 1 283 . 1 1 51 51 CYS C C 13 171.35 0.12 . 1 . . . . . 51 CYS C . 27472 1 284 . 1 1 51 51 CYS CA C 13 56.20 0.3 . 1 . . . . . 51 CYS CA . 27472 1 285 . 1 1 51 51 CYS CB C 13 31.37 0.3 . 1 . . . . . 51 CYS CB . 27472 1 286 . 1 1 51 51 CYS N N 15 125.35 0.25 . 1 . . . . . 51 CYS N . 27472 1 287 . 1 1 52 52 LEU H H 1 8.750 0.01 . 1 . . . . . 52 LEU H . 27472 1 288 . 1 1 52 52 LEU HA H 1 4.905 0.01 . 1 . . . . . 52 LEU HA . 27472 1 289 . 1 1 52 52 LEU HB2 H 1 1.555 0.01 . 2 . . . . . 52 LEU HB2 . 27472 1 290 . 1 1 52 52 LEU HB3 H 1 1.555 0.01 . 2 . . . . . 52 LEU HB3 . 27472 1 291 . 1 1 52 52 LEU C C 13 174.97 0.12 . 1 . . . . . 52 LEU C . 27472 1 292 . 1 1 52 52 LEU CA C 13 52.99 0.3 . 1 . . . . . 52 LEU CA . 27472 1 293 . 1 1 52 52 LEU CB C 13 43.52 0.3 . 1 . . . . . 52 LEU CB . 27472 1 294 . 1 1 52 52 LEU CG C 13 26.26 0.3 . 1 . . . . . 52 LEU CG . 27472 1 295 . 1 1 52 52 LEU CD1 C 13 23.39 0.3 . 2 . . . . . 52 LEU CD1 . 27472 1 296 . 1 1 52 52 LEU CD2 C 13 23.39 0.3 . 2 . . . . . 52 LEU CD2 . 27472 1 297 . 1 1 52 52 LEU N N 15 122.96 0.25 . 1 . . . . . 52 LEU N . 27472 1 298 . 1 1 53 53 LEU H H 1 9.067 0.01 . 1 . . . . . 53 LEU H . 27472 1 299 . 1 1 53 53 LEU HA H 1 4.849 0.01 . 1 . . . . . 53 LEU HA . 27472 1 300 . 1 1 53 53 LEU HB2 H 1 1.416 0.01 . 2 . . . . . 53 LEU HB2 . 27472 1 301 . 1 1 53 53 LEU HB3 H 1 1.416 0.01 . 2 . . . . . 53 LEU HB3 . 27472 1 302 . 1 1 53 53 LEU HG H 1 1.176 0.01 . 1 . . . . . 53 LEU HG . 27472 1 303 . 1 1 53 53 LEU C C 13 174.55 0.12 . 1 . . . . . 53 LEU C . 27472 1 304 . 1 1 53 53 LEU CA C 13 53.18 0.3 . 1 . . . . . 53 LEU CA . 27472 1 305 . 1 1 53 53 LEU CB C 13 43.53 0.3 . 1 . . . . . 53 LEU CB . 27472 1 306 . 1 1 53 53 LEU N N 15 123.90 0.25 . 1 . . . . . 53 LEU N . 27472 1 307 . 1 1 54 54 ASP H H 1 9.087 0.01 . 1 . . . . . 54 ASP H . 27472 1 308 . 1 1 54 54 ASP CA C 13 53.07 0.3 . 1 . . . . . 54 ASP CA . 27472 1 309 . 1 1 54 54 ASP CB C 13 41.43 0.3 . 1 . . . . . 54 ASP CB . 27472 1 310 . 1 1 54 54 ASP N N 15 123.80 0.25 . 1 . . . . . 54 ASP N . 27472 1 311 . 1 1 55 55 ILE H H 1 9.111 0.01 . 1 . . . . . 55 ILE H . 27472 1 312 . 1 1 55 55 ILE C C 13 174.42 0.12 . 1 . . . . . 55 ILE C . 27472 1 313 . 1 1 55 55 ILE CA C 13 59.92 0.3 . 1 . . . . . 55 ILE CA . 27472 1 314 . 1 1 55 55 ILE CB C 13 40.59 0.3 . 1 . . . . . 55 ILE CB . 27472 1 315 . 1 1 55 55 ILE N N 15 124.21 0.25 . 1 . . . . . 55 ILE N . 27472 1 316 . 1 1 56 56 LEU H H 1 8.834 0.01 . 1 . . . . . 56 LEU H . 27472 1 317 . 1 1 56 56 LEU HA H 1 4.842 0.01 . 1 . . . . . 56 LEU HA . 27472 1 318 . 1 1 56 56 LEU HB2 H 1 1.451 0.01 . 2 . . . . . 56 LEU HB2 . 27472 1 319 . 1 1 56 56 LEU HB3 H 1 1.451 0.01 . 2 . . . . . 56 LEU HB3 . 27472 1 320 . 1 1 56 56 LEU C C 13 171.91 0.12 . 1 . . . . . 56 LEU C . 27472 1 321 . 1 1 56 56 LEU CA C 13 53.49 0.3 . 1 . . . . . 56 LEU CA . 27472 1 322 . 1 1 56 56 LEU CB C 13 43.16 0.3 . 1 . . . . . 56 LEU CB . 27472 1 323 . 1 1 56 56 LEU N N 15 130.50 0.25 . 1 . . . . . 56 LEU N . 27472 1 324 . 1 1 73 73 ARG CA C 13 59.06 0.3 . 1 . . . . . 73 ARG CA . 27472 1 325 . 1 1 73 73 ARG CB C 13 29.90 0.3 . 1 . . . . . 73 ARG CB . 27472 1 326 . 1 1 73 73 ARG CG C 13 27.43 0.3 . 1 . . . . . 73 ARG CG . 27472 1 327 . 1 1 73 73 ARG CD C 13 42.92 0.3 . 1 . . . . . 73 ARG CD . 27472 1 328 . 1 1 74 74 THR H H 1 7.579 0.01 . 1 . . . . . 74 THR H . 27472 1 329 . 1 1 74 74 THR HA H 1 4.578 0.01 . 1 . . . . . 74 THR HA . 27472 1 330 . 1 1 74 74 THR HB H 1 4.218 0.01 . 1 . . . . . 74 THR HB . 27472 1 331 . 1 1 74 74 THR HG21 H 1 1.296 0.01 . 1 . . . . . 74 THR HG1 . 27472 1 332 . 1 1 74 74 THR HG22 H 1 1.296 0.01 . 1 . . . . . 74 THR HG1 . 27472 1 333 . 1 1 74 74 THR HG23 H 1 1.296 0.01 . 1 . . . . . 74 THR HG1 . 27472 1 334 . 1 1 74 74 THR C C 13 175.91 0.12 . 1 . . . . . 74 THR C . 27472 1 335 . 1 1 74 74 THR CA C 13 62.65 0.3 . 1 . . . . . 74 THR CA . 27472 1 336 . 1 1 74 74 THR CB C 13 69.77 0.3 . 1 . . . . . 74 THR CB . 27472 1 337 . 1 1 74 74 THR CG2 C 13 21.19 0.3 . 1 . . . . . 74 THR CG2 . 27472 1 338 . 1 1 74 74 THR N N 15 109.04 0.25 . 1 . . . . . 74 THR N . 27472 1 339 . 1 1 75 75 GLY H H 1 7.777 0.01 . 1 . . . . . 75 GLY H . 27472 1 340 . 1 1 75 75 GLY HA2 H 1 3.572 0.01 . 2 . . . . . 75 GLY HA2 . 27472 1 341 . 1 1 75 75 GLY HA3 H 1 3.233 0.01 . 2 . . . . . 75 GLY HA3 . 27472 1 342 . 1 1 75 75 GLY C C 13 172.36 0.12 . 1 . . . . . 75 GLY C . 27472 1 343 . 1 1 75 75 GLY CA C 13 46.06 0.3 . 1 . . . . . 75 GLY CA . 27472 1 344 . 1 1 75 75 GLY N N 15 108.35 0.25 . 1 . . . . . 75 GLY N . 27472 1 345 . 1 1 76 76 GLU C C 13 176.60 0.12 . 1 . . . . . 76 GLU C . 27472 1 346 . 1 1 76 76 GLU CA C 13 56.18 0.3 . 1 . . . . . 76 GLU CA . 27472 1 347 . 1 1 76 76 GLU CB C 13 31.75 0.3 . 1 . . . . . 76 GLU CB . 27472 1 348 . 1 1 76 76 GLU CG C 13 37.22 0.3 . 1 . . . . . 76 GLU CG . 27472 1 349 . 1 1 77 77 GLY H H 1 7.140 0.01 . 1 . . . . . 77 GLY H . 27472 1 350 . 1 1 77 77 GLY HA2 H 1 4.93 0.01 . 2 . . . . . 77 GLY HA2 . 27472 1 351 . 1 1 77 77 GLY HA3 H 1 3.135 0.01 . 2 . . . . . 77 GLY HA3 . 27472 1 352 . 1 1 77 77 GLY C C 13 170.80 0.12 . 1 . . . . . 77 GLY C . 27472 1 353 . 1 1 77 77 GLY CA C 13 44.86 0.3 . 1 . . . . . 77 GLY CA . 27472 1 354 . 1 1 77 77 GLY N N 15 133.52 0.25 . 1 . . . . . 77 GLY N . 27472 1 355 . 1 1 78 78 PHE H H 1 8.135 0.01 . 1 . . . . . 78 PHE H . 27472 1 356 . 1 1 78 78 PHE HA H 1 5.455 0.01 . 1 . . . . . 78 PHE HA . 27472 1 357 . 1 1 78 78 PHE HB2 H 1 2.654 0.01 . 2 . . . . . 78 PHE HB2 . 27472 1 358 . 1 1 78 78 PHE HB3 H 1 2.654 0.01 . 2 . . . . . 78 PHE HB3 . 27472 1 359 . 1 1 78 78 PHE C C 13 175.04 0.12 . 1 . . . . . 78 PHE C . 27472 1 360 . 1 1 78 78 PHE CA C 13 56.65 0.3 . 1 . . . . . 78 PHE CA . 27472 1 361 . 1 1 78 78 PHE CB C 13 42.62 0.3 . 1 . . . . . 78 PHE CB . 27472 1 362 . 1 1 78 78 PHE N N 15 121.58 0.25 . 1 . . . . . 78 PHE N . 27472 1 363 . 1 1 79 79 LEU H H 1 9.26 0.01 . 1 . . . . . 79 LEU H . 27472 1 364 . 1 1 79 79 LEU HA H 1 4.658 0.01 . 1 . . . . . 79 LEU HA . 27472 1 365 . 1 1 79 79 LEU HB2 H 1 1.723 0.01 . 2 . . . . . 79 LEU HB2 . 27472 1 366 . 1 1 79 79 LEU HB3 H 1 1.723 0.01 . 2 . . . . . 79 LEU HB3 . 27472 1 367 . 1 1 79 79 LEU HG H 1 1.124 0.01 . 1 . . . . . 79 LEU HG . 27472 1 368 . 1 1 79 79 LEU C C 13 175.52 0.12 . 1 . . . . . 79 LEU C . 27472 1 369 . 1 1 79 79 LEU CA C 13 53.38 0.3 . 1 . . . . . 79 LEU CA . 27472 1 370 . 1 1 79 79 LEU CB C 13 42.41 0.3 . 1 . . . . . 79 LEU CB . 27472 1 371 . 1 1 79 79 LEU N N 15 127.40 0.25 . 1 . . . . . 79 LEU N . 27472 1 372 . 1 1 80 80 CYS H H 1 8.709 0.01 . 1 . . . . . 80 CYS H . 27472 1 373 . 1 1 80 80 CYS HA H 1 4.745 0.01 . 1 . . . . . 80 CYS HA . 27472 1 374 . 1 1 80 80 CYS HB2 H 1 3.001 0.01 . 2 . . . . . 80 CYS HB2 . 27472 1 375 . 1 1 80 80 CYS HB3 H 1 2.705 0.01 . 2 . . . . . 80 CYS HB3 . 27472 1 376 . 1 1 80 80 CYS C C 13 172.80 0.12 . 1 . . . . . 80 CYS C . 27472 1 377 . 1 1 80 80 CYS CA C 13 57.32 0.3 . 1 . . . . . 80 CYS CA . 27472 1 378 . 1 1 80 80 CYS CB C 13 27.44 0.3 . 1 . . . . . 80 CYS CB . 27472 1 379 . 1 1 80 80 CYS N N 15 125.06 0.25 . 1 . . . . . 80 CYS N . 27472 1 380 . 1 1 81 81 VAL H H 1 8.982 0.01 . 1 . . . . . 81 VAL H . 27472 1 381 . 1 1 81 81 VAL HA H 1 4.962 0.01 . 1 . . . . . 81 VAL HA . 27472 1 382 . 1 1 81 81 VAL HB H 1 1.796 0.01 . 1 . . . . . 81 VAL HB . 27472 1 383 . 1 1 81 81 VAL HG11 H 1 0.667 0.01 . 2 . . . . . 81 VAL MG1 . 27472 1 384 . 1 1 81 81 VAL HG12 H 1 0.667 0.01 . 2 . . . . . 81 VAL MG1 . 27472 1 385 . 1 1 81 81 VAL HG13 H 1 0.667 0.01 . 2 . . . . . 81 VAL MG1 . 27472 1 386 . 1 1 81 81 VAL HG21 H 1 0.667 0.01 . 2 . . . . . 81 VAL MG2 . 27472 1 387 . 1 1 81 81 VAL HG22 H 1 0.667 0.01 . 2 . . . . . 81 VAL MG2 . 27472 1 388 . 1 1 81 81 VAL HG23 H 1 0.667 0.01 . 2 . . . . . 81 VAL MG2 . 27472 1 389 . 1 1 81 81 VAL C C 13 175.21 0.12 . 1 . . . . . 81 VAL C . 27472 1 390 . 1 1 81 81 VAL CA C 13 60.94 0.3 . 1 . . . . . 81 VAL CA . 27472 1 391 . 1 1 81 81 VAL CB C 13 32.97 0.3 . 1 . . . . . 81 VAL CB . 27472 1 392 . 1 1 81 81 VAL CG1 C 13 21.26 0.3 . 2 . . . . . 81 VAL CG1 . 27472 1 393 . 1 1 81 81 VAL CG2 C 13 21.26 0.3 . 2 . . . . . 81 VAL CG2 . 27472 1 394 . 1 1 81 81 VAL N N 15 126.59 0.25 . 1 . . . . . 81 VAL N . 27472 1 395 . 1 1 82 82 PHE H H 1 9.239 0.01 . 1 . . . . . 82 PHE H . 27472 1 396 . 1 1 82 82 PHE HA H 1 5.016 0.01 . 1 . . . . . 82 PHE HA . 27472 1 397 . 1 1 82 82 PHE HB2 H 1 3.257 0.01 . 2 . . . . . 82 PHE HB2 . 27472 1 398 . 1 1 82 82 PHE HB3 H 1 3.257 0.01 . 2 . . . . . 82 PHE HB3 . 27472 1 399 . 1 1 82 82 PHE C C 13 171.24 0.12 . 1 . . . . . 82 PHE C . 27472 1 400 . 1 1 82 82 PHE CA C 13 54.94 0.3 . 1 . . . . . 82 PHE CA . 27472 1 401 . 1 1 82 82 PHE CB C 13 40.47 0.3 . 1 . . . . . 82 PHE CB . 27472 1 402 . 1 1 82 82 PHE N N 15 123.92 0.25 . 1 . . . . . 82 PHE N . 27472 1 403 . 1 1 83 83 ALA H H 1 8.692 0.01 . 1 . . . . . 83 ALA H . 27472 1 404 . 1 1 83 83 ALA HA H 1 5.091 0.01 . 1 . . . . . 83 ALA HA . 27472 1 405 . 1 1 83 83 ALA HB1 H 1 1.499 0.01 . 1 . . . . . 83 ALA MB . 27472 1 406 . 1 1 83 83 ALA HB2 H 1 1.499 0.01 . 1 . . . . . 83 ALA MB . 27472 1 407 . 1 1 83 83 ALA HB3 H 1 1.499 0.01 . 1 . . . . . 83 ALA MB . 27472 1 408 . 1 1 83 83 ALA C C 13 179.22 0.12 . 1 . . . . . 83 ALA C . 27472 1 409 . 1 1 83 83 ALA CA C 13 49.38 0.3 . 1 . . . . . 83 ALA CA . 27472 1 410 . 1 1 83 83 ALA CB C 13 21.41 0.3 . 1 . . . . . 83 ALA CB . 27472 1 411 . 1 1 83 83 ALA N N 15 121.73 0.25 . 1 . . . . . 83 ALA N . 27472 1 412 . 1 1 84 84 ILE H H 1 8.447 0.01 . 1 . . . . . 84 ILE H . 27472 1 413 . 1 1 84 84 ILE HA H 1 4.036 0.01 . 1 . . . . . 84 ILE HA . 27472 1 414 . 1 1 84 84 ILE HB H 1 1.775 0.01 . 1 . . . . . 84 ILE HB . 27472 1 415 . 1 1 84 84 ILE C C 13 174.06 0.12 . 1 . . . . . 84 ILE C . 27472 1 416 . 1 1 84 84 ILE CA C 13 62.83 0.3 . 1 . . . . . 84 ILE CA . 27472 1 417 . 1 1 84 84 ILE CB C 13 38.06 0.3 . 1 . . . . . 84 ILE CB . 27472 1 418 . 1 1 84 84 ILE CG1 C 13 26.43 0.3 . 1 . . . . . 84 ILE CG1 . 27472 1 419 . 1 1 84 84 ILE CG2 C 13 19.51 0.3 . 1 . . . . . 84 ILE CG2 . 27472 1 420 . 1 1 84 84 ILE CD1 C 13 14.32 0.3 . 1 . . . . . 84 ILE CD1 . 27472 1 421 . 1 1 84 84 ILE N N 15 113.99 0.25 . 1 . . . . . 84 ILE N . 27472 1 422 . 1 1 85 85 ASN H H 1 7.826 0.01 . 1 . . . . . 85 ASN H . 27472 1 423 . 1 1 85 85 ASN HA H 1 5.037 0.01 . 1 . . . . . 85 ASN HA . 27472 1 424 . 1 1 85 85 ASN C C 13 174.67 0.12 . 1 . . . . . 85 ASN C . 27472 1 425 . 1 1 85 85 ASN CA C 13 51.78 0.3 . 1 . . . . . 85 ASN CA . 27472 1 426 . 1 1 85 85 ASN CB C 13 38.07 0.3 . 1 . . . . . 85 ASN CB . 27472 1 427 . 1 1 85 85 ASN N N 15 117.20 0.25 . 1 . . . . . 85 ASN N . 27472 1 428 . 1 1 86 86 ASN H H 1 7.803 0.01 . 1 . . . . . 86 ASN H . 27472 1 429 . 1 1 86 86 ASN HA H 1 5.094 0.01 . 1 . . . . . 86 ASN HA . 27472 1 430 . 1 1 86 86 ASN HB2 H 1 3.211 0.01 . 2 . . . . . 86 ASN HB2 . 27472 1 431 . 1 1 86 86 ASN HB3 H 1 2.490 0.01 . 2 . . . . . 86 ASN HB3 . 27472 1 432 . 1 1 86 86 ASN C C 13 175.15 0.12 . 1 . . . . . 86 ASN C . 27472 1 433 . 1 1 86 86 ASN CA C 13 51.49 0.3 . 1 . . . . . 86 ASN CA . 27472 1 434 . 1 1 86 86 ASN CB C 13 39.18 0.3 . 1 . . . . . 86 ASN CB . 27472 1 435 . 1 1 86 86 ASN N N 15 119.52 0.25 . 1 . . . . . 86 ASN N . 27472 1 436 . 1 1 87 87 THR H H 1 9.179 0.01 . 1 . . . . . 87 THR H . 27472 1 437 . 1 1 87 87 THR HA H 1 5.088 0.01 . 1 . . . . . 87 THR HA . 27472 1 438 . 1 1 87 87 THR HB H 1 4.716 0.01 . 1 . . . . . 87 THR HB . 27472 1 439 . 1 1 87 87 THR C C 13 176.25 0.12 . 1 . . . . . 87 THR C . 27472 1 440 . 1 1 87 87 THR CA C 13 66.38 0.3 . 1 . . . . . 87 THR CA . 27472 1 441 . 1 1 87 87 THR CB C 13 68.55 0.3 . 1 . . . . . 87 THR CB . 27472 1 442 . 1 1 87 87 THR CG2 C 13 21.93 0.3 . 1 . . . . . 87 THR CG2 . 27472 1 443 . 1 1 87 87 THR N N 15 124.65 0.25 . 1 . . . . . 87 THR N . 27472 1 444 . 1 1 88 88 LYS H H 1 8.381 0.01 . 1 . . . . . 88 LYS H . 27472 1 445 . 1 1 88 88 LYS HA H 1 4.191 0.01 . 1 . . . . . 88 LYS HA . 27472 1 446 . 1 1 88 88 LYS HB2 H 1 2.077 0.01 . 2 . . . . . 88 LYS HB2 . 27472 1 447 . 1 1 88 88 LYS HG2 H 1 1.634 0.01 . 2 . . . . . 88 LYS HG2 . 27472 1 448 . 1 1 88 88 LYS C C 13 178.11 0.12 . 1 . . . . . 88 LYS C . 27472 1 449 . 1 1 88 88 LYS CA C 13 59.09 0.3 . 1 . . . . . 88 LYS CA . 27472 1 450 . 1 1 88 88 LYS CB C 13 30.96 0.3 . 1 . . . . . 88 LYS CB . 27472 1 451 . 1 1 88 88 LYS CG C 13 23.79 0.3 . 1 . . . . . 88 LYS CG . 27472 1 452 . 1 1 88 88 LYS CD C 13 27.62 0.3 . 1 . . . . . 88 LYS CD . 27472 1 453 . 1 1 88 88 LYS CE C 13 41.62 0.3 . 1 . . . . . 88 LYS CE . 27472 1 454 . 1 1 88 88 LYS N N 15 124.61 0.25 . 1 . . . . . 88 LYS N . 27472 1 455 . 1 1 89 89 SER H H 1 7.923 0.01 . 1 . . . . . 89 SER H . 27472 1 456 . 1 1 89 89 SER HA H 1 4.244 0.01 . 1 . . . . . 89 SER HA . 27472 1 457 . 1 1 89 89 SER HB2 H 1 3.521 0.01 . 2 . . . . . 89 SER HB2 . 27472 1 458 . 1 1 89 89 SER C C 13 175.95 0.12 . 1 . . . . . 89 SER C . 27472 1 459 . 1 1 89 89 SER CA C 13 61.26 0.3 . 1 . . . . . 89 SER CA . 27472 1 460 . 1 1 89 89 SER CB C 13 63.77 0.3 . 1 . . . . . 89 SER CB . 27472 1 461 . 1 1 89 89 SER N N 15 114.79 0.25 . 1 . . . . . 89 SER N . 27472 1 462 . 1 1 90 90 PHE H H 1 7.374 0.01 . 1 . . . . . 90 PHE H . 27472 1 463 . 1 1 90 90 PHE HA H 1 4.053 0.01 . 1 . . . . . 90 PHE HA . 27472 1 464 . 1 1 90 90 PHE HB2 H 1 3.293 0.01 . 2 . . . . . 90 PHE HB2 . 27472 1 465 . 1 1 90 90 PHE HB3 H 1 3.293 0.01 . 2 . . . . . 90 PHE HB3 . 27472 1 466 . 1 1 90 90 PHE C C 13 177.36 0.12 . 1 . . . . . 90 PHE C . 27472 1 467 . 1 1 90 90 PHE CA C 13 59.49 0.3 . 1 . . . . . 90 PHE CA . 27472 1 468 . 1 1 90 90 PHE CB C 13 39.85 0.3 . 1 . . . . . 90 PHE CB . 27472 1 469 . 1 1 90 90 PHE N N 15 125.27 0.25 . 1 . . . . . 90 PHE N . 27472 1 470 . 1 1 91 91 GLU H H 1 8.317 0.01 . 1 . . . . . 91 GLU H . 27472 1 471 . 1 1 91 91 GLU HA H 1 3.798 0.01 . 1 . . . . . 91 GLU HA . 27472 1 472 . 1 1 91 91 GLU HB2 H 1 1.885 0.01 . 2 . . . . . 91 GLU HB2 . 27472 1 473 . 1 1 91 91 GLU HB3 H 1 1.885 0.01 . 2 . . . . . 91 GLU HB3 . 27472 1 474 . 1 1 91 91 GLU C C 13 176.14 0.12 . 1 . . . . . 91 GLU C . 27472 1 475 . 1 1 91 91 GLU CA C 13 58.62 0.3 . 1 . . . . . 91 GLU CA . 27472 1 476 . 1 1 91 91 GLU CB C 13 28.88 0.3 . 1 . . . . . 91 GLU CB . 27472 1 477 . 1 1 91 91 GLU CG C 13 35.70 0.3 . 1 . . . . . 91 GLU CG . 27472 1 478 . 1 1 91 91 GLU N N 15 122.09 0.25 . 1 . . . . . 91 GLU N . 27472 1 479 . 1 1 92 92 ASP H H 1 8.483 0.01 . 1 . . . . . 92 ASP H . 27472 1 480 . 1 1 92 92 ASP HA H 1 4.514 0.01 . 1 . . . . . 92 ASP HA . 27472 1 481 . 1 1 92 92 ASP HB2 H 1 2.956 0.01 . 2 . . . . . 92 ASP HB2 . 27472 1 482 . 1 1 92 92 ASP HB3 H 1 2.956 0.01 . 2 . . . . . 92 ASP HB3 . 27472 1 483 . 1 1 92 92 ASP C C 13 178.17 0.12 . 1 . . . . . 92 ASP C . 27472 1 484 . 1 1 92 92 ASP CA C 13 55.80 0.3 . 1 . . . . . 92 ASP CA . 27472 1 485 . 1 1 92 92 ASP CB C 13 41.30 0.3 . 1 . . . . . 92 ASP CB . 27472 1 486 . 1 1 92 92 ASP N N 15 117.40 0.25 . 1 . . . . . 92 ASP N . 27472 1 487 . 1 1 93 93 ILE H H 1 7.531 0.01 . 1 . . . . . 93 ILE H . 27472 1 488 . 1 1 93 93 ILE HA H 1 3.976 0.01 . 1 . . . . . 93 ILE HA . 27472 1 489 . 1 1 93 93 ILE HB H 1 1.822 0.01 . 1 . . . . . 93 ILE HB . 27472 1 490 . 1 1 93 93 ILE HG12 H 1 1.421 0.01 . 2 . . . . . 93 ILE HG12 . 27472 1 491 . 1 1 93 93 ILE HG13 H 1 1.421 0.01 . 2 . . . . . 93 ILE HG13 . 27472 1 492 . 1 1 93 93 ILE HD11 H 1 0.954 0.01 . 1 . . . . . 93 ILE MD . 27472 1 493 . 1 1 93 93 ILE HD12 H 1 0.954 0.01 . 1 . . . . . 93 ILE MD . 27472 1 494 . 1 1 93 93 ILE HD13 H 1 0.954 0.01 . 1 . . . . . 93 ILE MD . 27472 1 495 . 1 1 93 93 ILE CA C 13 62.01 0.3 . 1 . . . . . 93 ILE CA . 27472 1 496 . 1 1 93 93 ILE CB C 13 34.45 0.3 . 1 . . . . . 93 ILE CB . 27472 1 497 . 1 1 93 93 ILE N N 15 121.11 0.25 . 1 . . . . . 93 ILE N . 27472 1 498 . 1 1 94 94 HIS C C 13 176.88 0.12 . 1 . . . . . 94 HIS C . 27472 1 499 . 1 1 94 94 HIS CA C 13 58.96 0.3 . 1 . . . . . 94 HIS CA . 27472 1 500 . 1 1 94 94 HIS CB C 13 29.06 0.3 . 1 . . . . . 94 HIS CB . 27472 1 501 . 1 1 95 95 HIS H H 1 7.217 0.01 . 1 . . . . . 95 HIS H . 27472 1 502 . 1 1 95 95 HIS HA H 1 4.283 0.01 . 1 . . . . . 95 HIS HA . 27472 1 503 . 1 1 95 95 HIS HB2 H 1 3.037 0.01 . 2 . . . . . 95 HIS HB2 . 27472 1 504 . 1 1 95 95 HIS HB3 H 1 3.037 0.01 . 2 . . . . . 95 HIS HB3 . 27472 1 505 . 1 1 95 95 HIS C C 13 177.47 0.12 . 1 . . . . . 95 HIS C . 27472 1 506 . 1 1 95 95 HIS CA C 13 57.64 0.3 . 1 . . . . . 95 HIS CA . 27472 1 507 . 1 1 95 95 HIS CB C 13 28.36 0.3 . 1 . . . . . 95 HIS CB . 27472 1 508 . 1 1 95 95 HIS N N 15 117.21 0.25 . 1 . . . . . 95 HIS N . 27472 1 509 . 1 1 96 96 TYR H H 1 7.585 0.01 . 1 . . . . . 96 TYR H . 27472 1 510 . 1 1 96 96 TYR HA H 1 4.001 0.01 . 1 . . . . . 96 TYR HA . 27472 1 511 . 1 1 96 96 TYR HB2 H 1 2.943 0.01 . 2 . . . . . 96 TYR HB2 . 27472 1 512 . 1 1 96 96 TYR HB3 H 1 2.943 0.01 . 2 . . . . . 96 TYR HB3 . 27472 1 513 . 1 1 96 96 TYR C C 13 174.65 0.12 . 1 . . . . . 96 TYR C . 27472 1 514 . 1 1 96 96 TYR CA C 13 62.65 0.3 . 1 . . . . . 96 TYR CA . 27472 1 515 . 1 1 96 96 TYR CB C 13 37.71 0.3 . 1 . . . . . 96 TYR CB . 27472 1 516 . 1 1 96 96 TYR N N 15 119.23 0.25 . 1 . . . . . 96 TYR N . 27472 1 517 . 1 1 97 97 ARG H H 1 8.265 0.01 . 1 . . . . . 97 ARG H . 27472 1 518 . 1 1 97 97 ARG C C 13 177.27 0.12 . 1 . . . . . 97 ARG C . 27472 1 519 . 1 1 97 97 ARG CA C 13 59.50 0.3 . 1 . . . . . 97 ARG CA . 27472 1 520 . 1 1 97 97 ARG CB C 13 28.64 0.3 . 1 . . . . . 97 ARG CB . 27472 1 521 . 1 1 97 97 ARG N N 15 118.40 0.25 . 1 . . . . . 97 ARG N . 27472 1 522 . 1 1 98 98 GLU H H 1 7.681 0.01 . 1 . . . . . 98 GLU H . 27472 1 523 . 1 1 98 98 GLU CA C 13 58.51 0.3 . 1 . . . . . 98 GLU CA . 27472 1 524 . 1 1 98 98 GLU CB C 13 28.75 0.3 . 1 . . . . . 98 GLU CB . 27472 1 525 . 1 1 98 98 GLU N N 15 117.09 0.25 . 1 . . . . . 98 GLU N . 27472 1 526 . 1 1 99 99 GLN H H 1 7.745 0.01 . 1 . . . . . 99 GLN H . 27472 1 527 . 1 1 99 99 GLN HA H 1 3.905 0.01 . 1 . . . . . 99 GLN HA . 27472 1 528 . 1 1 99 99 GLN HB2 H 1 2.045 0.01 . 2 . . . . . 99 GLN HB2 . 27472 1 529 . 1 1 99 99 GLN HB3 H 1 2.045 0.01 . 2 . . . . . 99 GLN HB3 . 27472 1 530 . 1 1 99 99 GLN CA C 13 58.35 0.3 . 1 . . . . . 99 GLN CA . 27472 1 531 . 1 1 99 99 GLN CB C 13 27.81 0.3 . 1 . . . . . 99 GLN CB . 27472 1 532 . 1 1 99 99 GLN N N 15 120.13 0.25 . 1 . . . . . 99 GLN N . 27472 1 533 . 1 1 100 100 ILE H H 1 7.934 0.01 . 1 . . . . . 100 ILE H . 27472 1 534 . 1 1 100 100 ILE HA H 1 3.252 0.01 . 1 . . . . . 100 ILE HA . 27472 1 535 . 1 1 100 100 ILE HB H 1 2.397 0.01 . 1 . . . . . 100 ILE HB . 27472 1 536 . 1 1 100 100 ILE CA C 13 65.23 0.3 . 1 . . . . . 100 ILE CA . 27472 1 537 . 1 1 100 100 ILE CB C 13 37.68 0.3 . 1 . . . . . 100 ILE CB . 27472 1 538 . 1 1 100 100 ILE CG1 C 13 28.78 0.3 . 1 . . . . . 100 ILE CG1 . 27472 1 539 . 1 1 100 100 ILE CG2 C 13 17.40 0.3 . 1 . . . . . 100 ILE CG2 . 27472 1 540 . 1 1 100 100 ILE CD1 C 13 14.76 0.3 . 1 . . . . . 100 ILE CD1 . 27472 1 541 . 1 1 100 100 ILE N N 15 120.33 0.25 . 1 . . . . . 100 ILE N . 27472 1 542 . 1 1 101 101 LYS H H 1 7.691 0.01 . 1 . . . . . 101 LYS H . 27472 1 543 . 1 1 101 101 LYS HA H 1 4.048 0.01 . 1 . . . . . 101 LYS HA . 27472 1 544 . 1 1 101 101 LYS CA C 13 59.25 0.3 . 1 . . . . . 101 LYS CA . 27472 1 545 . 1 1 101 101 LYS CB C 13 31.78 0.3 . 1 . . . . . 101 LYS CB . 27472 1 546 . 1 1 101 101 LYS CG C 13 23.82 0.3 . 1 . . . . . 101 LYS CG . 27472 1 547 . 1 1 101 101 LYS CD C 13 28.87 0.3 . 1 . . . . . 101 LYS CD . 27472 1 548 . 1 1 101 101 LYS CE C 13 40.73 0.3 . 1 . . . . . 101 LYS CE . 27472 1 549 . 1 1 101 101 LYS N N 15 117.45 0.25 . 1 . . . . . 101 LYS N . 27472 1 550 . 1 1 102 102 ARG H H 1 7.620 0.01 . 1 . . . . . 102 ARG H . 27472 1 551 . 1 1 102 102 ARG HA H 1 4.089 0.01 . 1 . . . . . 102 ARG HA . 27472 1 552 . 1 1 102 102 ARG HB2 H 1 1.931 0.01 . 2 . . . . . 102 ARG HB2 . 27472 1 553 . 1 1 102 102 ARG HB3 H 1 1.931 0.01 . 2 . . . . . 102 ARG HB3 . 27472 1 554 . 1 1 102 102 ARG HG2 H 1 1.623 0.01 . 2 . . . . . 102 ARG HG2 . 27472 1 555 . 1 1 102 102 ARG HG3 H 1 1.623 0.01 . 2 . . . . . 102 ARG HG3 . 27472 1 556 . 1 1 102 102 ARG HD2 H 1 2.913 0.01 . 2 . . . . . 102 ARG HD2 . 27472 1 557 . 1 1 102 102 ARG HD3 H 1 2.913 0.01 . 2 . . . . . 102 ARG HD3 . 27472 1 558 . 1 1 102 102 ARG CA C 13 58.62 0.3 . 1 . . . . . 102 ARG CA . 27472 1 559 . 1 1 102 102 ARG CB C 13 29.55 0.3 . 1 . . . . . 102 ARG CB . 27472 1 560 . 1 1 102 102 ARG CG C 13 26.07 0.3 . 1 . . . . . 102 ARG CG . 27472 1 561 . 1 1 102 102 ARG CD C 13 42.47 0.3 . 1 . . . . . 102 ARG CD . 27472 1 562 . 1 1 102 102 ARG N N 15 118.43 0.25 . 1 . . . . . 102 ARG N . 27472 1 563 . 1 1 103 103 VAL H H 1 8.182 0.01 . 1 . . . . . 103 VAL H . 27472 1 564 . 1 1 103 103 VAL HA H 1 3.774 0.01 . 1 . . . . . 103 VAL HA . 27472 1 565 . 1 1 103 103 VAL HB H 1 2.006 0.01 . 1 . . . . . 103 VAL HB . 27472 1 566 . 1 1 103 103 VAL HG11 H 1 0.932 0.01 . 2 . . . . . 103 VAL MG1 . 27472 1 567 . 1 1 103 103 VAL HG12 H 1 0.932 0.01 . 2 . . . . . 103 VAL MG1 . 27472 1 568 . 1 1 103 103 VAL HG13 H 1 0.932 0.01 . 2 . . . . . 103 VAL MG1 . 27472 1 569 . 1 1 103 103 VAL HG21 H 1 0.932 0.01 . 2 . . . . . 103 VAL MG2 . 27472 1 570 . 1 1 103 103 VAL HG22 H 1 0.932 0.01 . 2 . . . . . 103 VAL MG2 . 27472 1 571 . 1 1 103 103 VAL HG23 H 1 0.932 0.01 . 2 . . . . . 103 VAL MG2 . 27472 1 572 . 1 1 103 103 VAL C C 13 175.85 0.12 . 1 . . . . . 103 VAL C . 27472 1 573 . 1 1 103 103 VAL CA C 13 64.97 0.3 . 1 . . . . . 103 VAL CA . 27472 1 574 . 1 1 103 103 VAL CB C 13 31.40 0.3 . 1 . . . . . 103 VAL CB . 27472 1 575 . 1 1 103 103 VAL CG1 C 13 21.16 0.3 . 2 . . . . . 103 VAL CG1 . 27472 1 576 . 1 1 103 103 VAL N N 15 119.00 0.25 . 1 . . . . . 103 VAL N . 27472 1 577 . 1 1 104 104 LYS H H 1 8.029 0.01 . 1 . . . . . 104 LYS H . 27472 1 578 . 1 1 104 104 LYS HA H 1 4.234 0.01 . 1 . . . . . 104 LYS HA . 27472 1 579 . 1 1 104 104 LYS HB2 H 1 1.803 0.01 . 2 . . . . . 104 LYS HB2 . 27472 1 580 . 1 1 104 104 LYS HB3 H 1 1.803 0.01 . 2 . . . . . 104 LYS HB3 . 27472 1 581 . 1 1 104 104 LYS C C 13 176.03 0.12 . 1 . . . . . 104 LYS C . 27472 1 582 . 1 1 104 104 LYS CA C 13 54.92 0.3 . 1 . . . . . 104 LYS CA . 27472 1 583 . 1 1 104 104 LYS CB C 13 31.05 0.3 . 1 . . . . . 104 LYS CB . 27472 1 584 . 1 1 104 104 LYS CG C 13 23.04 0.3 . 1 . . . . . 104 LYS CG . 27472 1 585 . 1 1 104 104 LYS CD C 13 27.15 0.3 . 1 . . . . . 104 LYS CD . 27472 1 586 . 1 1 104 104 LYS CE C 13 41.17 0.3 . 1 . . . . . 104 LYS CE . 27472 1 587 . 1 1 104 104 LYS N N 15 116.49 0.25 . 1 . . . . . 104 LYS N . 27472 1 588 . 1 1 105 105 ASP H H 1 7.861 0.01 . 1 . . . . . 105 ASP H . 27472 1 589 . 1 1 105 105 ASP HA H 1 4.329 0.01 . 1 . . . . . 105 ASP HA . 27472 1 590 . 1 1 105 105 ASP HB2 H 1 2.355 0.01 . 2 . . . . . 105 ASP HB2 . 27472 1 591 . 1 1 105 105 ASP HB3 H 1 3.141 0.01 . 2 . . . . . 105 ASP HB3 . 27472 1 592 . 1 1 105 105 ASP C C 13 174.62 0.12 . 1 . . . . . 105 ASP C . 27472 1 593 . 1 1 105 105 ASP CA C 13 54.28 0.3 . 1 . . . . . 105 ASP CA . 27472 1 594 . 1 1 105 105 ASP CB C 13 39.69 0.3 . 1 . . . . . 105 ASP CB . 27472 1 595 . 1 1 105 105 ASP N N 15 121.17 0.25 . 1 . . . . . 105 ASP N . 27472 1 596 . 1 1 106 106 SER H H 1 7.502 0.01 . 1 . . . . . 106 SER H . 27472 1 597 . 1 1 106 106 SER HA H 1 4.561 0.01 . 1 . . . . . 106 SER HA . 27472 1 598 . 1 1 106 106 SER HB2 H 1 3.264 0.01 . 2 . . . . . 106 SER HB2 . 27472 1 599 . 1 1 106 106 SER HB3 H 1 3.790 0.01 . 2 . . . . . 106 SER HB3 . 27472 1 600 . 1 1 106 106 SER C C 13 173.41 0.12 . 1 . . . . . 106 SER C . 27472 1 601 . 1 1 106 106 SER CA C 13 56.69 0.3 . 1 . . . . . 106 SER CA . 27472 1 602 . 1 1 106 106 SER CB C 13 64.96 0.3 . 1 . . . . . 106 SER CB . 27472 1 603 . 1 1 106 106 SER N N 15 109.61 0.25 . 1 . . . . . 106 SER N . 27472 1 604 . 1 1 107 107 GLU H H 1 8.365 0.01 . 1 . . . . . 107 GLU H . 27472 1 605 . 1 1 107 107 GLU HA H 1 4.279 0.01 . 1 . . . . . 107 GLU HA . 27472 1 606 . 1 1 107 107 GLU HB2 H 1 1.917 0.01 . 2 . . . . . 107 GLU HB2 . 27472 1 607 . 1 1 107 107 GLU HB3 H 1 1.917 0.01 . 2 . . . . . 107 GLU HB3 . 27472 1 608 . 1 1 107 107 GLU HG2 H 1 2.202 0.01 . 2 . . . . . 107 GLU HG2 . 27472 1 609 . 1 1 107 107 GLU HG3 H 1 2.202 0.01 . 2 . . . . . 107 GLU HG3 . 27472 1 610 . 1 1 107 107 GLU C C 13 176.13 0.12 . 1 . . . . . 107 GLU C . 27472 1 611 . 1 1 107 107 GLU CA C 13 56.02 0.3 . 1 . . . . . 107 GLU CA . 27472 1 612 . 1 1 107 107 GLU CB C 13 30.12 0.3 . 1 . . . . . 107 GLU CB . 27472 1 613 . 1 1 107 107 GLU CG C 13 35.52 0.3 . 1 . . . . . 107 GLU CG . 27472 1 614 . 1 1 107 107 GLU N N 15 121.44 0.25 . 1 . . . . . 107 GLU N . 27472 1 615 . 1 1 108 108 ASP H H 1 8.356 0.01 . 1 . . . . . 108 ASP H . 27472 1 616 . 1 1 108 108 ASP HA H 1 4.863 0.01 . 1 . . . . . 108 ASP HA . 27472 1 617 . 1 1 108 108 ASP HB2 H 1 2.765 0.01 . 2 . . . . . 108 ASP HB2 . 27472 1 618 . 1 1 108 108 ASP HB3 H 1 2.566 0.01 . 2 . . . . . 108 ASP HB3 . 27472 1 619 . 1 1 108 108 ASP C C 13 174.31 0.12 . 1 . . . . . 108 ASP C . 27472 1 620 . 1 1 108 108 ASP CA C 13 52.69 0.3 . 1 . . . . . 108 ASP CA . 27472 1 621 . 1 1 108 108 ASP CB C 13 41.12 0.3 . 1 . . . . . 108 ASP CB . 27472 1 622 . 1 1 108 108 ASP N N 15 121.44 0.25 . 1 . . . . . 108 ASP N . 27472 1 623 . 1 1 109 109 VAL H H 1 7.553 0.01 . 1 . . . . . 109 VAL H . 27472 1 624 . 1 1 109 109 VAL HA H 1 4.274 0.01 . 1 . . . . . 109 VAL HA . 27472 1 625 . 1 1 109 109 VAL HB H 1 1.728 0.01 . 1 . . . . . 109 VAL HB . 27472 1 626 . 1 1 109 109 VAL HG11 H 1 0.977 0.01 . 2 . . . . . 109 VAL MG1 . 27472 1 627 . 1 1 109 109 VAL HG12 H 1 0.977 0.01 . 2 . . . . . 109 VAL MG1 . 27472 1 628 . 1 1 109 109 VAL HG13 H 1 0.977 0.01 . 2 . . . . . 109 VAL MG1 . 27472 1 629 . 1 1 109 109 VAL HG21 H 1 0.759 0.01 . 2 . . . . . 109 VAL MG2 . 27472 1 630 . 1 1 109 109 VAL HG22 H 1 0.759 0.01 . 2 . . . . . 109 VAL MG2 . 27472 1 631 . 1 1 109 109 VAL HG23 H 1 0.759 0.01 . 2 . . . . . 109 VAL MG2 . 27472 1 632 . 1 1 109 109 VAL C C 13 174.06 0.12 . 1 . . . . . 109 VAL C . 27472 1 633 . 1 1 109 109 VAL CA C 13 58.53 0.3 . 1 . . . . . 109 VAL CA . 27472 1 634 . 1 1 109 109 VAL CB C 13 34.47 0.3 . 1 . . . . . 109 VAL CB . 27472 1 635 . 1 1 109 109 VAL N N 15 122.58 0.25 . 1 . . . . . 109 VAL N . 27472 1 636 . 1 1 110 110 PRO C C 13 176.03 0.12 . 1 . . . . . 110 PRO C . 27472 1 637 . 1 1 110 110 PRO CA C 13 63.25 0.3 . 1 . . . . . 110 PRO CA . 27472 1 638 . 1 1 110 110 PRO CB C 13 31.81 0.3 . 1 . . . . . 110 PRO CB . 27472 1 639 . 1 1 110 110 PRO CG C 13 27.69 0.3 . 1 . . . . . 110 PRO CG . 27472 1 640 . 1 1 110 110 PRO CD C 13 50.39 0.3 . 1 . . . . . 110 PRO CD . 27472 1 641 . 1 1 111 111 MET H H 1 8.254 0.01 . 1 . . . . . 111 MET H . 27472 1 642 . 1 1 111 111 MET HA H 1 5.725 0.01 . 1 . . . . . 111 MET HA . 27472 1 643 . 1 1 111 111 MET HB2 H 1 2.139 0.01 . 2 . . . . . 111 MET HB2 . 27472 1 644 . 1 1 111 111 MET HB3 H 1 2.139 0.01 . 2 . . . . . 111 MET HB3 . 27472 1 645 . 1 1 111 111 MET C C 13 173.67 0.12 . 1 . . . . . 111 MET C . 27472 1 646 . 1 1 111 111 MET CA C 13 54.72 0.3 . 1 . . . . . 111 MET CA . 27472 1 647 . 1 1 111 111 MET CB C 13 37.64 0.3 . 1 . . . . . 111 MET CB . 27472 1 648 . 1 1 111 111 MET CG C 13 31.86 0.3 . 1 . . . . . 111 MET CG . 27472 1 649 . 1 1 111 111 MET N N 15 123.46 0.25 . 1 . . . . . 111 MET N . 27472 1 650 . 1 1 112 112 VAL H H 1 8.044 0.01 . 1 . . . . . 112 VAL H . 27472 1 651 . 1 1 112 112 VAL HA H 1 5.179 0.01 . 1 . . . . . 112 VAL HA . 27472 1 652 . 1 1 112 112 VAL HB H 1 1.489 0.01 . 1 . . . . . 112 VAL HB . 27472 1 653 . 1 1 112 112 VAL C C 13 173.32 0.12 . 1 . . . . . 112 VAL C . 27472 1 654 . 1 1 112 112 VAL CA C 13 60.55 0.3 . 1 . . . . . 112 VAL CA . 27472 1 655 . 1 1 112 112 VAL CB C 13 36.81 0.3 . 1 . . . . . 112 VAL CB . 27472 1 656 . 1 1 112 112 VAL CG1 C 13 21.74 0.3 . 2 . . . . . 112 VAL CG1 . 27472 1 657 . 1 1 112 112 VAL CG2 C 13 20.22 0.3 . 2 . . . . . 112 VAL CG2 . 27472 1 658 . 1 1 112 112 VAL N N 15 118.49 0.25 . 1 . . . . . 112 VAL N . 27472 1 659 . 1 1 113 113 LEU H H 1 8.898 0.01 . 1 . . . . . 113 LEU H . 27472 1 660 . 1 1 113 113 LEU C C 13 173.38 0.12 . 1 . . . . . 113 LEU C . 27472 1 661 . 1 1 113 113 LEU CA C 13 53.42 0.3 . 1 . . . . . 113 LEU CA . 27472 1 662 . 1 1 113 113 LEU CB C 13 43.48 0.3 . 1 . . . . . 113 LEU CB . 27472 1 663 . 1 1 113 113 LEU CG C 13 26.60 0.3 . 1 . . . . . 113 LEU CG . 27472 1 664 . 1 1 113 113 LEU CD1 C 13 24.70 0.3 . 2 . . . . . 113 LEU CD1 . 27472 1 665 . 1 1 113 113 LEU CD2 C 13 24.70 0.3 . 2 . . . . . 113 LEU CD2 . 27472 1 666 . 1 1 113 113 LEU N N 15 129.14 0.25 . 1 . . . . . 113 LEU N . 27472 1 667 . 1 1 114 114 VAL H H 1 9.129 0.01 . 1 . . . . . 114 VAL H . 27472 1 668 . 1 1 114 114 VAL HA H 1 5.069 0.01 . 1 . . . . . 114 VAL HA . 27472 1 669 . 1 1 114 114 VAL HB H 1 1.707 0.01 . 1 . . . . . 114 VAL HB . 27472 1 670 . 1 1 114 114 VAL HG11 H 1 0.686 0.01 . 2 . . . . . 114 VAL MG1 . 27472 1 671 . 1 1 114 114 VAL HG12 H 1 0.686 0.01 . 2 . . . . . 114 VAL MG1 . 27472 1 672 . 1 1 114 114 VAL HG13 H 1 0.686 0.01 . 2 . . . . . 114 VAL MG1 . 27472 1 673 . 1 1 114 114 VAL HG21 H 1 0.686 0.01 . 2 . . . . . 114 VAL MG2 . 27472 1 674 . 1 1 114 114 VAL HG22 H 1 0.686 0.01 . 2 . . . . . 114 VAL MG2 . 27472 1 675 . 1 1 114 114 VAL HG23 H 1 0.686 0.01 . 2 . . . . . 114 VAL MG2 . 27472 1 676 . 1 1 114 114 VAL C C 13 173.85 0.12 . 1 . . . . . 114 VAL C . 27472 1 677 . 1 1 114 114 VAL CA C 13 59.72 0.3 . 1 . . . . . 114 VAL CA . 27472 1 678 . 1 1 114 114 VAL CB C 13 34.53 0.3 . 1 . . . . . 114 VAL CB . 27472 1 679 . 1 1 114 114 VAL CG1 C 13 22.27 0.3 . 2 . . . . . 114 VAL CG1 . 27472 1 680 . 1 1 114 114 VAL CG2 C 13 22.27 0.3 . 2 . . . . . 114 VAL CG2 . 27472 1 681 . 1 1 114 114 VAL N N 15 128.41 0.25 . 1 . . . . . 114 VAL N . 27472 1 682 . 1 1 115 115 GLY H H 1 8.133 0.01 . 1 . . . . . 115 GLY H . 27472 1 683 . 1 1 115 115 GLY HA2 H 1 2.414 0.01 . 2 . . . . . 115 GLY HA2 . 27472 1 684 . 1 1 115 115 GLY HA3 H 1 2.911 0.01 . 2 . . . . . 115 GLY HA3 . 27472 1 685 . 1 1 115 115 GLY C C 13 170.99 0.12 . 1 . . . . . 115 GLY C . 27472 1 686 . 1 1 115 115 GLY CA C 13 45.22 0.3 . 1 . . . . . 115 GLY CA . 27472 1 687 . 1 1 115 115 GLY N N 15 113.68 0.25 . 1 . . . . . 115 GLY N . 27472 1 688 . 1 1 116 116 ASN H H 1 8.726 0.01 . 1 . . . . . 116 ASN H . 27472 1 689 . 1 1 116 116 ASN HA H 1 5.616 0.01 . 1 . . . . . 116 ASN HA . 27472 1 690 . 1 1 116 116 ASN HB2 H 1 2.556 0.01 . 2 . . . . . 116 ASN HB2 . 27472 1 691 . 1 1 116 116 ASN HB3 H 1 2.556 0.01 . 2 . . . . . 116 ASN HB3 . 27472 1 692 . 1 1 116 116 ASN C C 13 174.58 0.12 . 1 . . . . . 116 ASN C . 27472 1 693 . 1 1 116 116 ASN CA C 13 51.28 0.3 . 1 . . . . . 116 ASN CA . 27472 1 694 . 1 1 116 116 ASN CB C 13 41.21 0.3 . 1 . . . . . 116 ASN CB . 27472 1 695 . 1 1 116 116 ASN N N 15 121.78 0.25 . 1 . . . . . 116 ASN N . 27472 1 696 . 1 1 117 117 LYS H H 1 7.238 0.01 . 1 . . . . . 117 LYS H . 27472 1 697 . 1 1 117 117 LYS C C 13 177.40 0.12 . 1 . . . . . 117 LYS C . 27472 1 698 . 1 1 117 117 LYS CA C 13 57.03 0.3 . 1 . . . . . 117 LYS CA . 27472 1 699 . 1 1 117 117 LYS CB C 13 29.29 0.3 . 1 . . . . . 117 LYS CB . 27472 1 700 . 1 1 117 117 LYS CG C 13 24.86 0.3 . 1 . . . . . 117 LYS CG . 27472 1 701 . 1 1 117 117 LYS N N 15 112.41 0.25 . 1 . . . . . 117 LYS N . 27472 1 702 . 1 1 118 118 CYS H H 1 8.565 0.01 . 1 . . . . . 118 CYS H . 27472 1 703 . 1 1 118 118 CYS HA H 1 4.273 0.01 . 1 . . . . . 118 CYS HA . 27472 1 704 . 1 1 118 118 CYS HB2 H 1 3.087 0.01 . 2 . . . . . 118 CYS HB2 . 27472 1 705 . 1 1 118 118 CYS HB3 H 1 3.087 0.01 . 2 . . . . . 118 CYS HB3 . 27472 1 706 . 1 1 118 118 CYS C C 13 173.31 0.12 . 1 . . . . . 118 CYS C . 27472 1 707 . 1 1 118 118 CYS CA C 13 60.85 0.3 . 1 . . . . . 118 CYS CA . 27472 1 708 . 1 1 118 118 CYS CB C 13 26.46 0.3 . 1 . . . . . 118 CYS CB . 27472 1 709 . 1 1 118 118 CYS N N 15 114.27 0.25 . 1 . . . . . 118 CYS N . 27472 1 710 . 1 1 119 119 ASP H H 1 8.480 0.01 . 1 . . . . . 119 ASP H . 27472 1 711 . 1 1 119 119 ASP HA H 1 4.501 0.01 . 1 . . . . . 119 ASP HA . 27472 1 712 . 1 1 119 119 ASP HB2 H 1 2.965 0.01 . 2 . . . . . 119 ASP HB2 . 27472 1 713 . 1 1 119 119 ASP HB3 H 1 2.965 0.01 . 2 . . . . . 119 ASP HB3 . 27472 1 714 . 1 1 119 119 ASP C C 13 175.60 0.12 . 1 . . . . . 119 ASP C . 27472 1 715 . 1 1 119 119 ASP CA C 13 53.66 0.3 . 1 . . . . . 119 ASP CA . 27472 1 716 . 1 1 119 119 ASP CB C 13 41.39 0.3 . 1 . . . . . 119 ASP CB . 27472 1 717 . 1 1 119 119 ASP N N 15 117.05 0.25 . 1 . . . . . 119 ASP N . 27472 1 718 . 1 1 120 120 LEU H H 1 7.730 0.01 . 1 . . . . . 120 LEU H . 27472 1 719 . 1 1 120 120 LEU HA H 1 4.505 0.01 . 1 . . . . . 120 LEU HA . 27472 1 720 . 1 1 120 120 LEU HB2 H 1 1.964 0.01 . 2 . . . . . 120 LEU HB2 . 27472 1 721 . 1 1 120 120 LEU HB3 H 1 1.964 0.01 . 2 . . . . . 120 LEU HB3 . 27472 1 722 . 1 1 120 120 LEU HG H 1 1.431 0.01 . 1 . . . . . 120 LEU HG . 27472 1 723 . 1 1 120 120 LEU HD11 H 1 0.130 0.01 . 2 . . . . . 120 LEU MD1 . 27472 1 724 . 1 1 120 120 LEU HD12 H 1 0.130 0.01 . 2 . . . . . 120 LEU MD1 . 27472 1 725 . 1 1 120 120 LEU HD13 H 1 0.130 0.01 . 2 . . . . . 120 LEU MD1 . 27472 1 726 . 1 1 120 120 LEU HD21 H 1 0.130 0.01 . 2 . . . . . 120 LEU MD2 . 27472 1 727 . 1 1 120 120 LEU HD22 H 1 0.130 0.01 . 2 . . . . . 120 LEU MD2 . 27472 1 728 . 1 1 120 120 LEU HD23 H 1 0.130 0.01 . 2 . . . . . 120 LEU MD2 . 27472 1 729 . 1 1 120 120 LEU C C 13 176.24 0.12 . 1 . . . . . 120 LEU C . 27472 1 730 . 1 1 120 120 LEU CA C 13 52.67 0.3 . 1 . . . . . 120 LEU CA . 27472 1 731 . 1 1 120 120 LEU CB C 13 41.25 0.3 . 1 . . . . . 120 LEU CB . 27472 1 732 . 1 1 120 120 LEU N N 15 121.96 0.25 . 1 . . . . . 120 LEU N . 27472 1 733 . 1 1 121 121 PRO C C 13 177.13 0.12 . 1 . . . . . 121 PRO C . 27472 1 734 . 1 1 121 121 PRO CA C 13 63.07 0.3 . 1 . . . . . 121 PRO CA . 27472 1 735 . 1 1 121 121 PRO CB C 13 31.37 0.3 . 1 . . . . . 121 PRO CB . 27472 1 736 . 1 1 121 121 PRO CG C 13 26.02 0.3 . 1 . . . . . 121 PRO CG . 27472 1 737 . 1 1 121 121 PRO CD C 13 49.52 0.3 . 1 . . . . . 121 PRO CD . 27472 1 738 . 1 1 122 122 SER H H 1 7.226 0.01 . 1 . . . . . 122 SER H . 27472 1 739 . 1 1 122 122 SER HA H 1 4.54 0.01 . 1 . . . . . 122 SER HA . 27472 1 740 . 1 1 122 122 SER HB2 H 1 3.937 0.01 . 2 . . . . . 122 SER HB2 . 27472 1 741 . 1 1 122 122 SER HB3 H 1 3.937 0.01 . 2 . . . . . 122 SER HB3 . 27472 1 742 . 1 1 122 122 SER C C 13 172.79 0.12 . 1 . . . . . 122 SER C . 27472 1 743 . 1 1 122 122 SER CA C 13 56.02 0.3 . 1 . . . . . 122 SER CA . 27472 1 744 . 1 1 122 122 SER CB C 13 62.45 0.3 . 1 . . . . . 122 SER CB . 27472 1 745 . 1 1 122 122 SER N N 15 113.53 0.25 . 1 . . . . . 122 SER N . 27472 1 746 . 1 1 123 123 ARG H H 1 7.774 0.01 . 1 . . . . . 123 ARG H . 27472 1 747 . 1 1 123 123 ARG HA H 1 4.117 0.01 . 1 . . . . . 123 ARG HA . 27472 1 748 . 1 1 123 123 ARG HB2 H 1 1.693 0.01 . 2 . . . . . 123 ARG HB2 . 27472 1 749 . 1 1 123 123 ARG HB3 H 1 1.693 0.01 . 2 . . . . . 123 ARG HB3 . 27472 1 750 . 1 1 123 123 ARG C C 13 176.17 0.12 . 1 . . . . . 123 ARG C . 27472 1 751 . 1 1 123 123 ARG CA C 13 55.56 0.3 . 1 . . . . . 123 ARG CA . 27472 1 752 . 1 1 123 123 ARG CB C 13 31.92 0.3 . 1 . . . . . 123 ARG CB . 27472 1 753 . 1 1 123 123 ARG CG C 13 25.82 0.3 . 1 . . . . . 123 ARG CG . 27472 1 754 . 1 1 123 123 ARG CD C 13 43.40 0.3 . 1 . . . . . 123 ARG CD . 27472 1 755 . 1 1 123 123 ARG N N 15 120.76 0.25 . 1 . . . . . 123 ARG N . 27472 1 756 . 1 1 124 124 THR H H 1 9.001 0.01 . 1 . . . . . 124 THR H . 27472 1 757 . 1 1 124 124 THR HA H 1 4.536 0.01 . 1 . . . . . 124 THR HA . 27472 1 758 . 1 1 124 124 THR CA C 13 61.41 0.3 . 1 . . . . . 124 THR CA . 27472 1 759 . 1 1 124 124 THR CB C 13 69.28 0.3 . 1 . . . . . 124 THR CB . 27472 1 760 . 1 1 124 124 THR CG2 C 13 21.66 0.3 . 1 . . . . . 124 THR CG2 . 27472 1 761 . 1 1 124 124 THR N N 15 115.02 0.25 . 1 . . . . . 124 THR N . 27472 1 762 . 1 1 125 125 VAL H H 1 7.506 0.01 . 1 . . . . . 125 VAL H . 27472 1 763 . 1 1 125 125 VAL HA H 1 3.992 0.01 . 1 . . . . . 125 VAL HA . 27472 1 764 . 1 1 125 125 VAL HB H 1 1.828 0.01 . 1 . . . . . 125 VAL HB . 27472 1 765 . 1 1 125 125 VAL HG11 H 1 0.705 0.01 . 2 . . . . . 125 VAL MG1 . 27472 1 766 . 1 1 125 125 VAL HG12 H 1 0.705 0.01 . 2 . . . . . 125 VAL MG1 . 27472 1 767 . 1 1 125 125 VAL HG13 H 1 0.705 0.01 . 2 . . . . . 125 VAL MG1 . 27472 1 768 . 1 1 125 125 VAL HG21 H 1 -0.109 0.01 . 2 . . . . . 125 VAL MG2 . 27472 1 769 . 1 1 125 125 VAL HG22 H 1 -0.109 0.01 . 2 . . . . . 125 VAL MG2 . 27472 1 770 . 1 1 125 125 VAL HG23 H 1 -0.109 0.01 . 2 . . . . . 125 VAL MG2 . 27472 1 771 . 1 1 125 125 VAL C C 13 175.14 0.12 . 1 . . . . . 125 VAL C . 27472 1 772 . 1 1 125 125 VAL CA C 13 60.99 0.3 . 1 . . . . . 125 VAL CA . 27472 1 773 . 1 1 125 125 VAL CB C 13 32.73 0.3 . 1 . . . . . 125 VAL CB . 27472 1 774 . 1 1 125 125 VAL CG1 C 13 20.23 0.3 . 2 . . . . . 125 VAL CG1 . 27472 1 775 . 1 1 125 125 VAL CG2 C 13 21.74 0.3 . 2 . . . . . 125 VAL CG2 . 27472 1 776 . 1 1 125 125 VAL N N 15 124.59 0.25 . 1 . . . . . 125 VAL N . 27472 1 777 . 1 1 126 126 ASP H H 1 8.509 0.01 . 1 . . . . . 126 ASP H . 27472 1 778 . 1 1 126 126 ASP HA H 1 4.539 0.01 . 1 . . . . . 126 ASP HA . 27472 1 779 . 1 1 126 126 ASP HB2 H 1 2.695 0.01 . 2 . . . . . 126 ASP HB2 . 27472 1 780 . 1 1 126 126 ASP HB3 H 1 2.695 0.01 . 2 . . . . . 126 ASP HB3 . 27472 1 781 . 1 1 126 126 ASP C C 13 176.61 0.12 . 1 . . . . . 126 ASP C . 27472 1 782 . 1 1 126 126 ASP CA C 13 53.79 0.3 . 1 . . . . . 126 ASP CA . 27472 1 783 . 1 1 126 126 ASP CB C 13 42.19 0.3 . 1 . . . . . 126 ASP CB . 27472 1 784 . 1 1 126 126 ASP N N 15 128.64 0.25 . 1 . . . . . 126 ASP N . 27472 1 785 . 1 1 127 127 THR H H 1 8.654 0.01 . 1 . . . . . 127 THR H . 27472 1 786 . 1 1 127 127 THR HA H 1 5.071 0.01 . 1 . . . . . 127 THR HA . 27472 1 787 . 1 1 127 127 THR C C 13 175.72 0.12 . 1 . . . . . 127 THR C . 27472 1 788 . 1 1 127 127 THR CA C 13 66.75 0.3 . 1 . . . . . 127 THR CA . 27472 1 789 . 1 1 127 127 THR CB C 13 69.15 0.3 . 1 . . . . . 127 THR CB . 27472 1 790 . 1 1 127 127 THR CG2 C 13 21.42 0.3 . 1 . . . . . 127 THR CG2 . 27472 1 791 . 1 1 127 127 THR N N 15 121.82 0.25 . 1 . . . . . 127 THR N . 27472 1 792 . 1 1 128 128 LYS H H 1 8.317 0.01 . 1 . . . . . 128 LYS H . 27472 1 793 . 1 1 128 128 LYS HA H 1 4.021 0.01 . 1 . . . . . 128 LYS HA . 27472 1 794 . 1 1 128 128 LYS HB2 H 1 1.813 0.01 . 2 . . . . . 128 LYS HB2 . 27472 1 795 . 1 1 128 128 LYS HB3 H 1 1.813 0.01 . 2 . . . . . 128 LYS HB3 . 27472 1 796 . 1 1 128 128 LYS C C 13 178.44 0.12 . 1 . . . . . 128 LYS C . 27472 1 797 . 1 1 128 128 LYS CA C 13 59.01 0.3 . 1 . . . . . 128 LYS CA . 27472 1 798 . 1 1 128 128 LYS CB C 13 31.42 0.3 . 1 . . . . . 128 LYS CB . 27472 1 799 . 1 1 128 128 LYS CG C 13 23.86 0.3 . 1 . . . . . 128 LYS CG . 27472 1 800 . 1 1 128 128 LYS CD C 13 27.77 0.3 . 1 . . . . . 128 LYS CD . 27472 1 801 . 1 1 128 128 LYS N N 15 120.85 0.25 . 1 . . . . . 128 LYS N . 27472 1 802 . 1 1 129 129 GLN H H 1 7.291 0.01 . 1 . . . . . 129 GLN H . 27472 1 803 . 1 1 129 129 GLN HB2 H 1 2.036 0.01 . 2 . . . . . 129 GLN HB2 . 27472 1 804 . 1 1 129 129 GLN HB3 H 1 2.036 0.01 . 2 . . . . . 129 GLN HB3 . 27472 1 805 . 1 1 129 129 GLN C C 13 179.38 0.12 . 1 . . . . . 129 GLN C . 27472 1 806 . 1 1 129 129 GLN CA C 13 58.12 0.3 . 1 . . . . . 129 GLN CA . 27472 1 807 . 1 1 129 129 GLN CB C 13 28.52 0.3 . 1 . . . . . 129 GLN CB . 27472 1 808 . 1 1 129 129 GLN CG C 13 33.83 0.3 . 1 . . . . . 129 GLN CG . 27472 1 809 . 1 1 129 129 GLN N N 15 117.79 0.25 . 1 . . . . . 129 GLN N . 27472 1 810 . 1 1 130 130 ALA H H 1 7.005 0.01 . 1 . . . . . 130 ALA H . 27472 1 811 . 1 1 130 130 ALA HA H 1 3.887 0.01 . 1 . . . . . 130 ALA HA . 27472 1 812 . 1 1 130 130 ALA HB1 H 1 0.712 0.01 . 1 . . . . . 130 ALA MB . 27472 1 813 . 1 1 130 130 ALA HB2 H 1 0.712 0.01 . 1 . . . . . 130 ALA MB . 27472 1 814 . 1 1 130 130 ALA HB3 H 1 0.712 0.01 . 1 . . . . . 130 ALA MB . 27472 1 815 . 1 1 130 130 ALA C C 13 178.05 0.12 . 1 . . . . . 130 ALA C . 27472 1 816 . 1 1 130 130 ALA CA C 13 54.39 0.3 . 1 . . . . . 130 ALA CA . 27472 1 817 . 1 1 130 130 ALA CB C 13 18.47 0.3 . 1 . . . . . 130 ALA CB . 27472 1 818 . 1 1 130 130 ALA N N 15 122.78 0.25 . 1 . . . . . 130 ALA N . 27472 1 819 . 1 1 131 131 GLN H H 1 8.347 0.01 . 1 . . . . . 131 GLN H . 27472 1 820 . 1 1 131 131 GLN HA H 1 3.727 0.01 . 1 . . . . . 131 GLN HA . 27472 1 821 . 1 1 131 131 GLN HB2 H 1 2.231 0.01 . 2 . . . . . 131 GLN HB2 . 27472 1 822 . 1 1 131 131 GLN C C 13 179.52 0.12 . 1 . . . . . 131 GLN C . 27472 1 823 . 1 1 131 131 GLN CA C 13 58.52 0.3 . 1 . . . . . 131 GLN CA . 27472 1 824 . 1 1 131 131 GLN CB C 13 28.23 0.3 . 1 . . . . . 131 GLN CB . 27472 1 825 . 1 1 131 131 GLN CG C 13 33.88 0.3 . 1 . . . . . 131 GLN CG . 27472 1 826 . 1 1 131 131 GLN N N 15 118.29 0.25 . 1 . . . . . 131 GLN N . 27472 1 827 . 1 1 132 132 ASP H H 1 8.442 0.01 . 1 . . . . . 132 ASP H . 27472 1 828 . 1 1 132 132 ASP HA H 1 4.357 0.01 . 1 . . . . . 132 ASP HA . 27472 1 829 . 1 1 132 132 ASP HB2 H 1 2.746 0.01 . 2 . . . . . 132 ASP HB2 . 27472 1 830 . 1 1 132 132 ASP HB3 H 1 2.582 0.01 . 2 . . . . . 132 ASP HB3 . 27472 1 831 . 1 1 132 132 ASP C C 13 178.90 0.12 . 1 . . . . . 132 ASP C . 27472 1 832 . 1 1 132 132 ASP CA C 13 56.80 0.3 . 1 . . . . . 132 ASP CA . 27472 1 833 . 1 1 132 132 ASP CB C 13 39.70 0.3 . 1 . . . . . 132 ASP CB . 27472 1 834 . 1 1 132 132 ASP N N 15 120.69 0.25 . 1 . . . . . 132 ASP N . 27472 1 835 . 1 1 133 133 LEU H H 1 7.462 0.01 . 1 . . . . . 133 LEU H . 27472 1 836 . 1 1 133 133 LEU HA H 1 3.873 0.01 . 1 . . . . . 133 LEU HA . 27472 1 837 . 1 1 133 133 LEU HB2 H 1 1.749 0.01 . 2 . . . . . 133 LEU HB2 . 27472 1 838 . 1 1 133 133 LEU HB3 H 1 1.749 0.01 . 2 . . . . . 133 LEU HB3 . 27472 1 839 . 1 1 133 133 LEU HD11 H 1 -0.072 0.01 . 2 . . . . . 133 LEU MD1 . 27472 1 840 . 1 1 133 133 LEU HD12 H 1 -0.072 0.01 . 2 . . . . . 133 LEU MD1 . 27472 1 841 . 1 1 133 133 LEU HD13 H 1 -0.072 0.01 . 2 . . . . . 133 LEU MD1 . 27472 1 842 . 1 1 133 133 LEU HD21 H 1 -0.072 0.01 . 2 . . . . . 133 LEU MD2 . 27472 1 843 . 1 1 133 133 LEU HD22 H 1 -0.072 0.01 . 2 . . . . . 133 LEU MD2 . 27472 1 844 . 1 1 133 133 LEU HD23 H 1 -0.072 0.01 . 2 . . . . . 133 LEU MD2 . 27472 1 845 . 1 1 133 133 LEU C C 13 179.06 0.12 . 1 . . . . . 133 LEU C . 27472 1 846 . 1 1 133 133 LEU CA C 13 57.24 0.3 . 1 . . . . . 133 LEU CA . 27472 1 847 . 1 1 133 133 LEU CB C 13 41.17 0.3 . 1 . . . . . 133 LEU CB . 27472 1 848 . 1 1 133 133 LEU CG C 13 25.21 0.3 . 1 . . . . . 133 LEU CG . 27472 1 849 . 1 1 133 133 LEU CD1 C 13 21.89 0.3 . 2 . . . . . 133 LEU CD1 . 27472 1 850 . 1 1 133 133 LEU N N 15 123.96 0.25 . 1 . . . . . 133 LEU N . 27472 1 851 . 1 1 134 134 ALA H H 1 8.170 0.01 . 1 . . . . . 134 ALA H . 27472 1 852 . 1 1 134 134 ALA HA H 1 4.674 0.01 . 1 . . . . . 134 ALA HA . 27472 1 853 . 1 1 134 134 ALA HB1 H 1 1.761 0.01 . 1 . . . . . 134 ALA MB . 27472 1 854 . 1 1 134 134 ALA HB2 H 1 1.761 0.01 . 1 . . . . . 134 ALA MB . 27472 1 855 . 1 1 134 134 ALA HB3 H 1 1.761 0.01 . 1 . . . . . 134 ALA MB . 27472 1 856 . 1 1 134 134 ALA C C 13 179.87 0.12 . 1 . . . . . 134 ALA C . 27472 1 857 . 1 1 134 134 ALA CA C 13 55.36 0.3 . 1 . . . . . 134 ALA CA . 27472 1 858 . 1 1 134 134 ALA CB C 13 17.97 0.3 . 1 . . . . . 134 ALA CB . 27472 1 859 . 1 1 134 134 ALA N N 15 121.82 0.25 . 1 . . . . . 134 ALA N . 27472 1 860 . 1 1 135 135 ARG H H 1 8.389 0.01 . 1 . . . . . 135 ARG H . 27472 1 861 . 1 1 135 135 ARG HA H 1 4.194 0.01 . 1 . . . . . 135 ARG HA . 27472 1 862 . 1 1 135 135 ARG HB2 H 1 1.985 0.01 . 2 . . . . . 135 ARG HB2 . 27472 1 863 . 1 1 135 135 ARG HB3 H 1 1.985 0.01 . 2 . . . . . 135 ARG HB3 . 27472 1 864 . 1 1 135 135 ARG C C 13 180.08 0.12 . 1 . . . . . 135 ARG C . 27472 1 865 . 1 1 135 135 ARG CA C 13 58.96 0.3 . 1 . . . . . 135 ARG CA . 27472 1 866 . 1 1 135 135 ARG CB C 13 29.42 0.3 . 1 . . . . . 135 ARG CB . 27472 1 867 . 1 1 135 135 ARG CG C 13 26.78 0.3 . 1 . . . . . 135 ARG CG . 27472 1 868 . 1 1 135 135 ARG CD C 13 42.51 0.3 . 1 . . . . . 135 ARG CD . 27472 1 869 . 1 1 135 135 ARG N N 15 118.65 0.25 . 1 . . . . . 135 ARG N . 27472 1 870 . 1 1 136 136 SER H H 1 7.888 0.01 . 1 . . . . . 136 SER H . 27472 1 871 . 1 1 136 136 SER HA H 1 4.282 0.01 . 1 . . . . . 136 SER HA . 27472 1 872 . 1 1 136 136 SER HB2 H 1 3.951 0.01 . 2 . . . . . 136 SER HB2 . 27472 1 873 . 1 1 136 136 SER HB3 H 1 3.951 0.01 . 2 . . . . . 136 SER HB3 . 27472 1 874 . 1 1 136 136 SER C C 13 177.48 0.12 . 1 . . . . . 136 SER C . 27472 1 875 . 1 1 136 136 SER CA C 13 61.07 0.3 . 1 . . . . . 136 SER CA . 27472 1 876 . 1 1 136 136 SER CB C 13 62.73 0.3 . 1 . . . . . 136 SER CB . 27472 1 877 . 1 1 136 136 SER N N 15 118.01 0.25 . 1 . . . . . 136 SER N . 27472 1 878 . 1 1 137 137 TYR H H 1 7.543 0.01 . 1 . . . . . 137 TYR H . 27472 1 879 . 1 1 137 137 TYR HA H 1 4.923 0.01 . 1 . . . . . 137 TYR HA . 27472 1 880 . 1 1 137 137 TYR HB2 H 1 3.090 0.01 . 2 . . . . . 137 TYR HB2 . 27472 1 881 . 1 1 137 137 TYR HB3 H 1 3.090 0.01 . 2 . . . . . 137 TYR HB3 . 27472 1 882 . 1 1 137 137 TYR C C 13 176.18 0.12 . 1 . . . . . 137 TYR C . 27472 1 883 . 1 1 137 137 TYR CA C 13 54.34 0.3 . 1 . . . . . 137 TYR CA . 27472 1 884 . 1 1 137 137 TYR CB C 13 38.50 0.3 . 1 . . . . . 137 TYR CB . 27472 1 885 . 1 1 137 137 TYR N N 15 120.19 0.25 . 1 . . . . . 137 TYR N . 27472 1 886 . 1 1 138 138 GLY H H 1 8.210 0.01 . 1 . . . . . 138 GLY H . 27472 1 887 . 1 1 138 138 GLY HA2 H 1 4.015 0.01 . 2 . . . . . 138 GLY HA2 . 27472 1 888 . 1 1 138 138 GLY HA3 H 1 4.190 0.01 . 2 . . . . . 138 GLY HA3 . 27472 1 889 . 1 1 138 138 GLY C C 13 175.22 0.12 . 1 . . . . . 138 GLY C . 27472 1 890 . 1 1 138 138 GLY CA C 13 46.04 0.3 . 1 . . . . . 138 GLY CA . 27472 1 891 . 1 1 138 138 GLY N N 15 111.36 0.25 . 1 . . . . . 138 GLY N . 27472 1 892 . 1 1 139 139 ILE H H 1 7.971 0.01 . 1 . . . . . 139 ILE H . 27472 1 893 . 1 1 139 139 ILE HA H 1 5.251 0.01 . 1 . . . . . 139 ILE HA . 27472 1 894 . 1 1 139 139 ILE HB H 1 2.056 0.01 . 1 . . . . . 139 ILE HB . 27472 1 895 . 1 1 139 139 ILE HD11 H 1 0.517 0.01 . 1 . . . . . 139 ILE MD . 27472 1 896 . 1 1 139 139 ILE HD12 H 1 0.517 0.01 . 1 . . . . . 139 ILE MD . 27472 1 897 . 1 1 139 139 ILE HD13 H 1 0.517 0.01 . 1 . . . . . 139 ILE MD . 27472 1 898 . 1 1 139 139 ILE C C 13 172.91 0.12 . 1 . . . . . 139 ILE C . 27472 1 899 . 1 1 139 139 ILE CA C 13 58.19 0.3 . 1 . . . . . 139 ILE CA . 27472 1 900 . 1 1 139 139 ILE CB C 13 38.39 0.3 . 1 . . . . . 139 ILE CB . 27472 1 901 . 1 1 139 139 ILE N N 15 113.49 0.25 . 1 . . . . . 139 ILE N . 27472 1 902 . 1 1 140 140 PRO CA C 13 61.94 0.3 . 1 . . . . . 140 PRO CA . 27472 1 903 . 1 1 140 140 PRO CB C 13 32.73 0.3 . 1 . . . . . 140 PRO CB . 27472 1 904 . 1 1 140 140 PRO CG C 13 27.21 0.3 . 1 . . . . . 140 PRO CG . 27472 1 905 . 1 1 140 140 PRO CD C 13 50.00 0.3 . 1 . . . . . 140 PRO CD . 27472 1 906 . 1 1 141 141 PHE H H 1 8.206 0.01 . 1 . . . . . 141 PHE H . 27472 1 907 . 1 1 141 141 PHE HA H 1 6.142 0.01 . 1 . . . . . 141 PHE HA . 27472 1 908 . 1 1 141 141 PHE HB2 H 1 3.104 0.01 . 2 . . . . . 141 PHE HB2 . 27472 1 909 . 1 1 141 141 PHE HB3 H 1 2.812 0.01 . 2 . . . . . 141 PHE HB3 . 27472 1 910 . 1 1 141 141 PHE C C 13 173.76 0.12 . 1 . . . . . 141 PHE C . 27472 1 911 . 1 1 141 141 PHE CA C 13 54.35 0.3 . 1 . . . . . 141 PHE CA . 27472 1 912 . 1 1 141 141 PHE CB C 13 42.05 0.3 . 1 . . . . . 141 PHE CB . 27472 1 913 . 1 1 141 141 PHE N N 15 120.54 0.25 . 1 . . . . . 141 PHE N . 27472 1 914 . 1 1 142 142 ILE H H 1 8.324 0.01 . 1 . . . . . 142 ILE H . 27472 1 915 . 1 1 142 142 ILE HA H 1 3.899 0.01 . 1 . . . . . 142 ILE HA . 27472 1 916 . 1 1 142 142 ILE HB H 1 1.361 0.01 . 1 . . . . . 142 ILE HB . 27472 1 917 . 1 1 142 142 ILE HG12 H 1 1.067 0.01 . 2 . . . . . 142 ILE HG12 . 27472 1 918 . 1 1 142 142 ILE HG13 H 1 1.067 0.01 . 2 . . . . . 142 ILE HG13 . 27472 1 919 . 1 1 142 142 ILE HD11 H 1 0.672 0.01 . 1 . . . . . 142 ILE MD . 27472 1 920 . 1 1 142 142 ILE HD12 H 1 0.672 0.01 . 1 . . . . . 142 ILE MD . 27472 1 921 . 1 1 142 142 ILE HD13 H 1 0.672 0.01 . 1 . . . . . 142 ILE MD . 27472 1 922 . 1 1 142 142 ILE C C 13 172.81 0.12 . 1 . . . . . 142 ILE C . 27472 1 923 . 1 1 142 142 ILE CA C 13 58.92 0.3 . 1 . . . . . 142 ILE CA . 27472 1 924 . 1 1 142 142 ILE CB C 13 41.93 0.3 . 1 . . . . . 142 ILE CB . 27472 1 925 . 1 1 142 142 ILE CG1 C 13 27.21 0.3 . 1 . . . . . 142 ILE CG1 . 27472 1 926 . 1 1 142 142 ILE CG2 C 13 16.32 0.3 . 1 . . . . . 142 ILE CG2 . 27472 1 927 . 1 1 142 142 ILE CD1 C 13 13.03 0.3 . 1 . . . . . 142 ILE CD1 . 27472 1 928 . 1 1 142 142 ILE N N 15 130.26 0.25 . 1 . . . . . 142 ILE N . 27472 1 929 . 1 1 143 143 GLU H H 1 7.734 0.01 . 1 . . . . . 143 GLU H . 27472 1 930 . 1 1 143 143 GLU HA H 1 4.710 0.01 . 1 . . . . . 143 GLU HA . 27472 1 931 . 1 1 143 143 GLU HB2 H 1 2.174 0.01 . 2 . . . . . 143 GLU HB2 . 27472 1 932 . 1 1 143 143 GLU HB3 H 1 2.174 0.01 . 2 . . . . . 143 GLU HB3 . 27472 1 933 . 1 1 143 143 GLU HG2 H 1 1.694 0.01 . 2 . . . . . 143 GLU HG2 . 27472 1 934 . 1 1 143 143 GLU HG3 H 1 1.694 0.01 . 2 . . . . . 143 GLU HG3 . 27472 1 935 . 1 1 143 143 GLU C C 13 176.20 0.12 . 1 . . . . . 143 GLU C . 27472 1 936 . 1 1 143 143 GLU CA C 13 55.11 0.3 . 1 . . . . . 143 GLU CA . 27472 1 937 . 1 1 143 143 GLU CB C 13 30.30 0.3 . 1 . . . . . 143 GLU CB . 27472 1 938 . 1 1 143 143 GLU CG C 13 38.37 0.3 . 1 . . . . . 143 GLU CG . 27472 1 939 . 1 1 143 143 GLU N N 15 125.46 0.25 . 1 . . . . . 143 GLU N . 27472 1 940 . 1 1 144 144 THR H H 1 8.733 0.01 . 1 . . . . . 144 THR H . 27472 1 941 . 1 1 144 144 THR HA H 1 5.045 0.01 . 1 . . . . . 144 THR HA . 27472 1 942 . 1 1 144 144 THR C C 13 176.52 0.12 . 1 . . . . . 144 THR C . 27472 1 943 . 1 1 144 144 THR CA C 13 59.41 0.3 . 1 . . . . . 144 THR CA . 27472 1 944 . 1 1 144 144 THR CB C 13 73.75 0.3 . 1 . . . . . 144 THR CB . 27472 1 945 . 1 1 144 144 THR CG2 C 13 21.18 0.3 . 1 . . . . . 144 THR CG2 . 27472 1 946 . 1 1 144 144 THR N N 15 112.82 0.25 . 1 . . . . . 144 THR N . 27472 1 947 . 1 1 145 145 SER H H 1 8.658 0.01 . 1 . . . . . 145 SER H . 27472 1 948 . 1 1 145 145 SER HA H 1 4.855 0.01 . 1 . . . . . 145 SER HA . 27472 1 949 . 1 1 145 145 SER HB2 H 1 4.037 0.01 . 2 . . . . . 145 SER HB2 . 27472 1 950 . 1 1 145 145 SER HB3 H 1 4.037 0.01 . 2 . . . . . 145 SER HB3 . 27472 1 951 . 1 1 145 145 SER C C 13 175.69 0.12 . 1 . . . . . 145 SER C . 27472 1 952 . 1 1 145 145 SER CA C 13 57.16 0.3 . 1 . . . . . 145 SER CA . 27472 1 953 . 1 1 145 145 SER CB C 13 64.65 0.3 . 1 . . . . . 145 SER CB . 27472 1 954 . 1 1 145 145 SER N N 15 112.59 0.25 . 1 . . . . . 145 SER N . 27472 1 955 . 1 1 146 146 ALA H H 1 9.077 0.01 . 1 . . . . . 146 ALA H . 27472 1 956 . 1 1 146 146 ALA HA H 1 3.899 0.01 . 1 . . . . . 146 ALA HA . 27472 1 957 . 1 1 146 146 ALA HB1 H 1 1.562 0.01 . 1 . . . . . 146 ALA MB . 27472 1 958 . 1 1 146 146 ALA HB2 H 1 1.562 0.01 . 1 . . . . . 146 ALA MB . 27472 1 959 . 1 1 146 146 ALA HB3 H 1 1.562 0.01 . 1 . . . . . 146 ALA MB . 27472 1 960 . 1 1 146 146 ALA CA C 13 54.09 0.3 . 1 . . . . . 146 ALA CA . 27472 1 961 . 1 1 146 146 ALA CB C 13 18.21 0.3 . 1 . . . . . 146 ALA CB . 27472 1 962 . 1 1 146 146 ALA N N 15 132.52 0.25 . 1 . . . . . 146 ALA N . 27472 1 963 . 1 1 147 147 LYS H H 1 6.938 0.01 . 1 . . . . . 147 LYS H . 27472 1 964 . 1 1 147 147 LYS HA H 1 2.455 0.01 . 1 . . . . . 147 LYS HA . 27472 1 965 . 1 1 147 147 LYS C C 13 176.98 0.12 . 1 . . . . . 147 LYS C . 27472 1 966 . 1 1 147 147 LYS CA C 13 57.88 0.3 . 1 . . . . . 147 LYS CA . 27472 1 967 . 1 1 147 147 LYS CB C 13 33.26 0.3 . 1 . . . . . 147 LYS CB . 27472 1 968 . 1 1 147 147 LYS CG C 13 23.78 0.3 . 1 . . . . . 147 LYS CG . 27472 1 969 . 1 1 147 147 LYS CD C 13 28.64 0.3 . 1 . . . . . 147 LYS CD . 27472 1 970 . 1 1 147 147 LYS CE C 13 41.38 0.3 . 1 . . . . . 147 LYS CE . 27472 1 971 . 1 1 147 147 LYS N N 15 116.72 0.25 . 1 . . . . . 147 LYS N . 27472 1 972 . 1 1 148 148 THR H H 1 7.599 0.01 . 1 . . . . . 148 THR H . 27472 1 973 . 1 1 148 148 THR HA H 1 4.129 0.01 . 1 . . . . . 148 THR HA . 27472 1 974 . 1 1 148 148 THR CA C 13 61.10 0.3 . 1 . . . . . 148 THR CA . 27472 1 975 . 1 1 148 148 THR CB C 13 69.67 0.3 . 1 . . . . . 148 THR CB . 27472 1 976 . 1 1 148 148 THR CG2 C 13 20.46 0.3 . 1 . . . . . 148 THR CG2 . 27472 1 977 . 1 1 148 148 THR N N 15 106.66 0.25 . 1 . . . . . 148 THR N . 27472 1 978 . 1 1 149 149 ARG H H 1 7.690 0.01 . 1 . . . . . 149 ARG H . 27472 1 979 . 1 1 149 149 ARG HA H 1 4.111 0.01 . 1 . . . . . 149 ARG HA . 27472 1 980 . 1 1 149 149 ARG HB2 H 1 1.810 0.01 . 2 . . . . . 149 ARG HB2 . 27472 1 981 . 1 1 149 149 ARG HB3 H 1 1.810 0.01 . 2 . . . . . 149 ARG HB3 . 27472 1 982 . 1 1 149 149 ARG CA C 13 58.35 0.3 . 1 . . . . . 149 ARG CA . 27472 1 983 . 1 1 149 149 ARG CB C 13 30.23 0.3 . 1 . . . . . 149 ARG CB . 27472 1 984 . 1 1 149 149 ARG CG C 13 31.61 0.3 . 1 . . . . . 149 ARG CG . 27472 1 985 . 1 1 149 149 ARG CD C 13 42.51 0.3 . 1 . . . . . 149 ARG CD . 27472 1 986 . 1 1 149 149 ARG N N 15 119.94 0.25 . 1 . . . . . 149 ARG N . 27472 1 987 . 1 1 150 150 GLN H H 1 7.731 0.01 . 1 . . . . . 150 GLN H . 27472 1 988 . 1 1 150 150 GLN HA H 1 4.084 0.01 . 1 . . . . . 150 GLN HA . 27472 1 989 . 1 1 150 150 GLN HB2 H 1 1.816 0.01 . 2 . . . . . 150 GLN HB2 . 27472 1 990 . 1 1 150 150 GLN HB3 H 1 1.816 0.01 . 2 . . . . . 150 GLN HB3 . 27472 1 991 . 1 1 150 150 GLN HG2 H 1 1.597 0.01 . 2 . . . . . 150 GLN HG2 . 27472 1 992 . 1 1 150 150 GLN HG3 H 1 1.597 0.01 . 2 . . . . . 150 GLN HG3 . 27472 1 993 . 1 1 150 150 GLN C C 13 177.07 0.12 . 1 . . . . . 150 GLN C . 27472 1 994 . 1 1 150 150 GLN CA C 13 56.95 0.3 . 1 . . . . . 150 GLN CA . 27472 1 995 . 1 1 150 150 GLN CB C 13 28.31 0.3 . 1 . . . . . 150 GLN CB . 27472 1 996 . 1 1 150 150 GLN CG C 13 32.07 0.3 . 1 . . . . . 150 GLN CG . 27472 1 997 . 1 1 150 150 GLN N N 15 124.61 0.25 . 1 . . . . . 150 GLN N . 27472 1 998 . 1 1 151 151 GLY H H 1 8.844 0.01 . 1 . . . . . 151 GLY H . 27472 1 999 . 1 1 151 151 GLY HA2 H 1 4.061 0.01 . 2 . . . . . 151 GLY HA2 . 27472 1 1000 . 1 1 151 151 GLY HA3 H 1 3.823 0.01 . 2 . . . . . 151 GLY HA3 . 27472 1 1001 . 1 1 151 151 GLY C C 13 173.48 0.12 . 1 . . . . . 151 GLY C . 27472 1 1002 . 1 1 151 151 GLY CA C 13 46.46 0.3 . 1 . . . . . 151 GLY CA . 27472 1 1003 . 1 1 151 151 GLY N N 15 115.61 0.25 . 1 . . . . . 151 GLY N . 27472 1 1004 . 1 1 152 152 VAL H H 1 6.950 0.01 . 1 . . . . . 152 VAL H . 27472 1 1005 . 1 1 152 152 VAL HA H 1 3.222 0.01 . 1 . . . . . 152 VAL HA . 27472 1 1006 . 1 1 152 152 VAL HB H 1 1.814 0.01 . 1 . . . . . 152 VAL HB . 27472 1 1007 . 1 1 152 152 VAL C C 13 176.63 0.12 . 1 . . . . . 152 VAL C . 27472 1 1008 . 1 1 152 152 VAL CA C 13 67.73 0.3 . 1 . . . . . 152 VAL CA . 27472 1 1009 . 1 1 152 152 VAL CB C 13 31.44 0.3 . 1 . . . . . 152 VAL CB . 27472 1 1010 . 1 1 152 152 VAL CG1 C 13 19.97 0.3 . 2 . . . . . 152 VAL CG1 . 27472 1 1011 . 1 1 152 152 VAL CG2 C 13 23.13 0.3 . 2 . . . . . 152 VAL CG2 . 27472 1 1012 . 1 1 152 152 VAL N N 15 120.86 0.25 . 1 . . . . . 152 VAL N . 27472 1 1013 . 1 1 153 153 ASP H H 1 7.854 0.01 . 1 . . . . . 153 ASP H . 27472 1 1014 . 1 1 153 153 ASP HA H 1 3.829 0.01 . 1 . . . . . 153 ASP HA . 27472 1 1015 . 1 1 153 153 ASP HB2 H 1 2.220 0.01 . 2 . . . . . 153 ASP HB2 . 27472 1 1016 . 1 1 153 153 ASP HB3 H 1 1.978 0.01 . 2 . . . . . 153 ASP HB3 . 27472 1 1017 . 1 1 153 153 ASP C C 13 177.25 0.12 . 1 . . . . . 153 ASP C . 27472 1 1018 . 1 1 153 153 ASP CA C 13 56.98 0.3 . 1 . . . . . 153 ASP CA . 27472 1 1019 . 1 1 153 153 ASP CB C 13 39.25 0.3 . 1 . . . . . 153 ASP CB . 27472 1 1020 . 1 1 153 153 ASP N N 15 117.36 0.25 . 1 . . . . . 153 ASP N . 27472 1 1021 . 1 1 154 154 ASP H H 1 7.974 0.01 . 1 . . . . . 154 ASP H . 27472 1 1022 . 1 1 154 154 ASP HA H 1 4.155 0.01 . 1 . . . . . 154 ASP HA . 27472 1 1023 . 1 1 154 154 ASP HB2 H 1 2.453 0.01 . 2 . . . . . 154 ASP HB2 . 27472 1 1024 . 1 1 154 154 ASP HB3 H 1 2.453 0.01 . 2 . . . . . 154 ASP HB3 . 27472 1 1025 . 1 1 154 154 ASP C C 13 179.35 0.12 . 1 . . . . . 154 ASP C . 27472 1 1026 . 1 1 154 154 ASP CA C 13 56.68 0.3 . 1 . . . . . 154 ASP CA . 27472 1 1027 . 1 1 154 154 ASP CB C 13 40.00 0.3 . 1 . . . . . 154 ASP CB . 27472 1 1028 . 1 1 154 154 ASP N N 15 116.42 0.25 . 1 . . . . . 154 ASP N . 27472 1 1029 . 1 1 155 155 ALA H H 1 8.537 0.01 . 1 . . . . . 155 ALA H . 27472 1 1030 . 1 1 155 155 ALA HA H 1 3.741 0.01 . 1 . . . . . 155 ALA HA . 27472 1 1031 . 1 1 155 155 ALA HB1 H 1 1.149 0.01 . 1 . . . . . 155 ALA MB . 27472 1 1032 . 1 1 155 155 ALA HB2 H 1 1.149 0.01 . 1 . . . . . 155 ALA MB . 27472 1 1033 . 1 1 155 155 ALA HB3 H 1 1.149 0.01 . 1 . . . . . 155 ALA MB . 27472 1 1034 . 1 1 155 155 ALA C C 13 177.81 0.12 . 1 . . . . . 155 ALA C . 27472 1 1035 . 1 1 155 155 ALA CA C 13 55.78 0.3 . 1 . . . . . 155 ALA CA . 27472 1 1036 . 1 1 155 155 ALA CB C 13 16.95 0.3 . 1 . . . . . 155 ALA CB . 27472 1 1037 . 1 1 155 155 ALA N N 15 124.98 0.25 . 1 . . . . . 155 ALA N . 27472 1 1038 . 1 1 156 156 PHE H H 1 7.138 0.01 . 1 . . . . . 156 PHE H . 27472 1 1039 . 1 1 156 156 PHE HA H 1 3.923 0.01 . 1 . . . . . 156 PHE HA . 27472 1 1040 . 1 1 156 156 PHE HB2 H 1 2.870 0.01 . 2 . . . . . 156 PHE HB2 . 27472 1 1041 . 1 1 156 156 PHE HB3 H 1 2.870 0.01 . 2 . . . . . 156 PHE HB3 . 27472 1 1042 . 1 1 156 156 PHE C C 13 178.13 0.12 . 1 . . . . . 156 PHE C . 27472 1 1043 . 1 1 156 156 PHE CA C 13 62.53 0.3 . 1 . . . . . 156 PHE CA . 27472 1 1044 . 1 1 156 156 PHE CB C 13 39.07 0.3 . 1 . . . . . 156 PHE CB . 27472 1 1045 . 1 1 156 156 PHE N N 15 113.14 0.25 . 1 . . . . . 156 PHE N . 27472 1 1046 . 1 1 157 157 TYR H H 1 9.423 0.01 . 1 . . . . . 157 TYR H . 27472 1 1047 . 1 1 157 157 TYR HA H 1 4.328 0.01 . 1 . . . . . 157 TYR HA . 27472 1 1048 . 1 1 157 157 TYR HB2 H 1 3.289 0.01 . 2 . . . . . 157 TYR HB2 . 27472 1 1049 . 1 1 157 157 TYR HB3 H 1 3.289 0.01 . 2 . . . . . 157 TYR HB3 . 27472 1 1050 . 1 1 157 157 TYR C C 13 179.05 0.12 . 1 . . . . . 157 TYR C . 27472 1 1051 . 1 1 157 157 TYR CA C 13 58.22 0.3 . 1 . . . . . 157 TYR CA . 27472 1 1052 . 1 1 157 157 TYR CB C 13 35.22 0.3 . 1 . . . . . 157 TYR CB . 27472 1 1053 . 1 1 157 157 TYR N N 15 119.73 0.25 . 1 . . . . . 157 TYR N . 27472 1 1054 . 1 1 158 158 THR H H 1 8.524 0.01 . 1 . . . . . 158 THR H . 27472 1 1055 . 1 1 158 158 THR HA H 1 3.911 0.01 . 1 . . . . . 158 THR HA . 27472 1 1056 . 1 1 158 158 THR HB H 1 4.212 0.01 . 1 . . . . . 158 THR HB . 27472 1 1057 . 1 1 158 158 THR C C 13 175.83 0.12 . 1 . . . . . 158 THR C . 27472 1 1058 . 1 1 158 158 THR CA C 13 67.23 0.3 . 1 . . . . . 158 THR CA . 27472 1 1059 . 1 1 158 158 THR CB C 13 68.25 0.3 . 1 . . . . . 158 THR CB . 27472 1 1060 . 1 1 158 158 THR N N 15 116.81 0.25 . 1 . . . . . 158 THR N . 27472 1 1061 . 1 1 159 159 LEU H H 1 7.219 0.01 . 1 . . . . . 159 LEU H . 27472 1 1062 . 1 1 159 159 LEU HA H 1 3.913 0.01 . 1 . . . . . 159 LEU HA . 27472 1 1063 . 1 1 159 159 LEU HB2 H 1 2.159 0.01 . 2 . . . . . 159 LEU HB2 . 27472 1 1064 . 1 1 159 159 LEU HB3 H 1 2.159 0.01 . 2 . . . . . 159 LEU HB3 . 27472 1 1065 . 1 1 159 159 LEU HG H 1 1.440 0.01 . 1 . . . . . 159 LEU HG . 27472 1 1066 . 1 1 159 159 LEU C C 13 177.77 0.12 . 1 . . . . . 159 LEU C . 27472 1 1067 . 1 1 159 159 LEU CA C 13 57.52 0.3 . 1 . . . . . 159 LEU CA . 27472 1 1068 . 1 1 159 159 LEU CB C 13 39.70 0.3 . 1 . . . . . 159 LEU CB . 27472 1 1069 . 1 1 159 159 LEU CD1 C 13 25.75 0.3 . 2 . . . . . 159 LEU CD1 . 27472 1 1070 . 1 1 159 159 LEU CD2 C 13 25.75 0.3 . 2 . . . . . 159 LEU CD2 . 27472 1 1071 . 1 1 159 159 LEU N N 15 122.25 0.25 . 1 . . . . . 159 LEU N . 27472 1 1072 . 1 1 160 160 VAL H H 1 7.578 0.01 . 1 . . . . . 160 VAL H . 27472 1 1073 . 1 1 160 160 VAL HA H 1 3.489 0.01 . 1 . . . . . 160 VAL HA . 27472 1 1074 . 1 1 160 160 VAL HB H 1 1.881 0.01 . 1 . . . . . 160 VAL HB . 27472 1 1075 . 1 1 160 160 VAL C C 13 177.48 0.12 . 1 . . . . . 160 VAL C . 27472 1 1076 . 1 1 160 160 VAL CA C 13 67.00 0.3 . 1 . . . . . 160 VAL CA . 27472 1 1077 . 1 1 160 160 VAL CB C 13 30.28 0.3 . 1 . . . . . 160 VAL CB . 27472 1 1078 . 1 1 160 160 VAL CG1 C 13 22.91 0.3 . 2 . . . . . 160 VAL CG1 . 27472 1 1079 . 1 1 160 160 VAL CG2 C 13 18.79 0.3 . 2 . . . . . 160 VAL CG2 . 27472 1 1080 . 1 1 160 160 VAL N N 15 120.01 0.25 . 1 . . . . . 160 VAL N . 27472 1 1081 . 1 1 161 161 ARG H H 1 8.018 0.01 . 1 . . . . . 161 ARG H . 27472 1 1082 . 1 1 161 161 ARG HA H 1 3.768 0.01 . 1 . . . . . 161 ARG HA . 27472 1 1083 . 1 1 161 161 ARG HB2 H 1 1.918 0.01 . 2 . . . . . 161 ARG HB2 . 27472 1 1084 . 1 1 161 161 ARG HB3 H 1 1.918 0.01 . 2 . . . . . 161 ARG HB3 . 27472 1 1085 . 1 1 161 161 ARG C C 13 179.62 0.12 . 1 . . . . . 161 ARG C . 27472 1 1086 . 1 1 161 161 ARG CA C 13 60.26 0.3 . 1 . . . . . 161 ARG CA . 27472 1 1087 . 1 1 161 161 ARG CB C 13 29.02 0.3 . 1 . . . . . 161 ARG CB . 27472 1 1088 . 1 1 161 161 ARG CD C 13 42.88 0.3 . 1 . . . . . 161 ARG CD . 27472 1 1089 . 1 1 161 161 ARG N N 15 118.93 0.25 . 1 . . . . . 161 ARG N . 27472 1 1090 . 1 1 162 162 GLU H H 1 8.225 0.01 . 1 . . . . . 162 GLU H . 27472 1 1091 . 1 1 162 162 GLU HA H 1 4.114 0.01 . 1 . . . . . 162 GLU HA . 27472 1 1092 . 1 1 162 162 GLU HB2 H 1 2.233 0.01 . 2 . . . . . 162 GLU HB2 . 27472 1 1093 . 1 1 162 162 GLU HB3 H 1 2.233 0.01 . 2 . . . . . 162 GLU HB3 . 27472 1 1094 . 1 1 162 162 GLU HG2 H 1 2.437 0.01 . 2 . . . . . 162 GLU HG2 . 27472 1 1095 . 1 1 162 162 GLU HG3 H 1 2.437 0.01 . 2 . . . . . 162 GLU HG3 . 27472 1 1096 . 1 1 162 162 GLU C C 13 179.70 0.12 . 1 . . . . . 162 GLU C . 27472 1 1097 . 1 1 162 162 GLU CA C 13 58.45 0.3 . 1 . . . . . 162 GLU CA . 27472 1 1098 . 1 1 162 162 GLU CB C 13 29.91 0.3 . 1 . . . . . 162 GLU CB . 27472 1 1099 . 1 1 162 162 GLU CG C 13 36.07 0.3 . 1 . . . . . 162 GLU CG . 27472 1 1100 . 1 1 162 162 GLU N N 15 119.59 0.25 . 1 . . . . . 162 GLU N . 27472 1 1101 . 1 1 163 163 ILE H H 1 8.322 0.01 . 1 . . . . . 163 ILE H . 27472 1 1102 . 1 1 163 163 ILE C C 13 178.82 0.12 . 1 . . . . . 163 ILE C . 27472 1 1103 . 1 1 163 163 ILE CA C 13 65.79 0.3 . 1 . . . . . 163 ILE CA . 27472 1 1104 . 1 1 163 163 ILE CB C 13 37.73 0.3 . 1 . . . . . 163 ILE CB . 27472 1 1105 . 1 1 163 163 ILE CG1 C 13 27.30 0.3 . 1 . . . . . 163 ILE CG1 . 27472 1 1106 . 1 1 163 163 ILE CG2 C 13 17.35 0.3 . 1 . . . . . 163 ILE CG2 . 27472 1 1107 . 1 1 163 163 ILE CD1 C 13 14.83 0.3 . 1 . . . . . 163 ILE CD1 . 27472 1 1108 . 1 1 163 163 ILE N N 15 123.57 0.25 . 1 . . . . . 163 ILE N . 27472 1 1109 . 1 1 164 164 ARG H H 1 8.585 0.01 . 1 . . . . . 164 ARG H . 27472 1 1110 . 1 1 164 164 ARG HA H 1 4.021 0.01 . 1 . . . . . 164 ARG HA . 27472 1 1111 . 1 1 164 164 ARG HB2 H 1 2.050 0.01 . 2 . . . . . 164 ARG HB2 . 27472 1 1112 . 1 1 164 164 ARG HB3 H 1 2.050 0.01 . 2 . . . . . 164 ARG HB3 . 27472 1 1113 . 1 1 164 164 ARG HG2 H 1 1.615 0.01 . 2 . . . . . 164 ARG HG2 . 27472 1 1114 . 1 1 164 164 ARG HG3 H 1 1.615 0.01 . 2 . . . . . 164 ARG HG3 . 27472 1 1115 . 1 1 164 164 ARG C C 13 178.90 0.12 . 1 . . . . . 164 ARG C . 27472 1 1116 . 1 1 164 164 ARG CA C 13 59.79 0.3 . 1 . . . . . 164 ARG CA . 27472 1 1117 . 1 1 164 164 ARG CB C 13 30.27 0.3 . 1 . . . . . 164 ARG CB . 27472 1 1118 . 1 1 164 164 ARG CG C 13 26.31 0.3 . 1 . . . . . 164 ARG CG . 27472 1 1119 . 1 1 164 164 ARG CD C 13 43.72 0.3 . 1 . . . . . 164 ARG CD . 27472 1 1120 . 1 1 164 164 ARG N N 15 120.08 0.25 . 1 . . . . . 164 ARG N . 27472 1 1121 . 1 1 165 165 LYS H H 1 7.756 0.01 . 1 . . . . . 165 LYS H . 27472 1 1122 . 1 1 165 165 LYS HA H 1 4.474 0.01 . 1 . . . . . 165 LYS HA . 27472 1 1123 . 1 1 165 165 LYS C C 13 178.11 0.12 . 1 . . . . . 165 LYS C . 27472 1 1124 . 1 1 165 165 LYS CA C 13 58.51 0.3 . 1 . . . . . 165 LYS CA . 27472 1 1125 . 1 1 165 165 LYS CB C 13 32.20 0.3 . 1 . . . . . 165 LYS CB . 27472 1 1126 . 1 1 165 165 LYS CG C 13 23.92 0.3 . 1 . . . . . 165 LYS CG . 27472 1 1127 . 1 1 165 165 LYS CD C 13 28.61 0.3 . 1 . . . . . 165 LYS CD . 27472 1 1128 . 1 1 165 165 LYS CE C 13 41.15 0.3 . 1 . . . . . 165 LYS CE . 27472 1 1129 . 1 1 165 165 LYS N N 15 117.36 0.25 . 1 . . . . . 165 LYS N . 27472 1 1130 . 1 1 166 166 HIS H H 1 7.726 0.01 . 1 . . . . . 166 HIS H . 27472 1 1131 . 1 1 166 166 HIS HA H 1 3.462 0.01 . 1 . . . . . 166 HIS HA . 27472 1 1132 . 1 1 166 166 HIS C C 13 175.26 0.12 . 1 . . . . . 166 HIS C . 27472 1 1133 . 1 1 166 166 HIS CA C 13 57.25 0.3 . 1 . . . . . 166 HIS CA . 27472 1 1134 . 1 1 166 166 HIS CB C 13 29.06 0.3 . 1 . . . . . 166 HIS CB . 27472 1 1135 . 1 1 166 166 HIS N N 15 117.09 0.25 . 1 . . . . . 166 HIS N . 27472 1 1136 . 1 1 167 167 LYS H H 1 7.907 0.01 . 1 . . . . . 167 LYS H . 27472 1 1137 . 1 1 167 167 LYS HA H 1 4.305 0.01 . 1 . . . . . 167 LYS HA . 27472 1 1138 . 1 1 167 167 LYS HB2 H 1 1.996 0.01 . 2 . . . . . 167 LYS HB2 . 27472 1 1139 . 1 1 167 167 LYS HB3 H 1 1.996 0.01 . 2 . . . . . 167 LYS HB3 . 27472 1 1140 . 1 1 167 167 LYS HG2 H 1 1.584 0.01 . 2 . . . . . 167 LYS HG2 . 27472 1 1141 . 1 1 167 167 LYS HG3 H 1 1.584 0.01 . 2 . . . . . 167 LYS HG3 . 27472 1 1142 . 1 1 167 167 LYS HD2 H 1 1.776 0.01 . 2 . . . . . 167 LYS HD2 . 27472 1 1143 . 1 1 167 167 LYS HD3 H 1 1.776 0.01 . 2 . . . . . 167 LYS HD3 . 27472 1 1144 . 1 1 167 167 LYS C C 13 176.78 0.12 . 1 . . . . . 167 LYS C . 27472 1 1145 . 1 1 167 167 LYS CA C 13 56.85 0.3 . 1 . . . . . 167 LYS CA . 27472 1 1146 . 1 1 167 167 LYS CB C 13 32.92 0.3 . 1 . . . . . 167 LYS CB . 27472 1 1147 . 1 1 167 167 LYS N N 15 120.09 0.25 . 1 . . . . . 167 LYS N . 27472 1 1148 . 1 1 168 168 GLU H H 1 7.974 0.01 . 1 . . . . . 168 GLU H . 27472 1 1149 . 1 1 168 168 GLU C C 13 175.53 0.12 . 1 . . . . . 168 GLU C . 27472 1 1150 . 1 1 168 168 GLU CA C 13 56.23 0.3 . 1 . . . . . 168 GLU CA . 27472 1 1151 . 1 1 168 168 GLU CB C 13 29.67 0.3 . 1 . . . . . 168 GLU CB . 27472 1 1152 . 1 1 168 168 GLU CG C 13 35.44 0.3 . 1 . . . . . 168 GLU CG . 27472 1 1153 . 1 1 168 168 GLU N N 15 120.90 0.25 . 1 . . . . . 168 GLU N . 27472 1 1154 . 1 1 169 169 LYS H H 1 7.609 0.01 . 1 . . . . . 169 LYS H . 27472 1 1155 . 1 1 169 169 LYS HA H 1 4.145 0.01 . 1 . . . . . 169 LYS HA . 27472 1 1156 . 1 1 169 169 LYS HB2 H 1 1.804 0.01 . 2 . . . . . 169 LYS HB2 . 27472 1 1157 . 1 1 169 169 LYS HB3 H 1 1.804 0.01 . 2 . . . . . 169 LYS HB3 . 27472 1 1158 . 1 1 169 169 LYS HG2 H 1 1.482 0.01 . 2 . . . . . 169 LYS HG2 . 27472 1 1159 . 1 1 169 169 LYS HG3 H 1 1.482 0.01 . 2 . . . . . 169 LYS HG3 . 27472 1 1160 . 1 1 169 169 LYS C C 13 180.44 0.12 . 1 . . . . . 169 LYS C . 27472 1 1161 . 1 1 169 169 LYS CA C 13 57.63 0.3 . 1 . . . . . 169 LYS CA . 27472 1 1162 . 1 1 169 169 LYS CB C 13 33.05 0.3 . 1 . . . . . 169 LYS CB . 27472 1 1163 . 1 1 169 169 LYS N N 15 127.00 0.25 . 1 . . . . . 169 LYS N . 27472 1 stop_ save_