data_27387 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27387 _Entry.Title ; NMR 1H,13C,15N resonance assignment of the G12C mutant of human K-Ras bound to GDP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-24 _Entry.Accession_date 2018-01-24 _Entry.Last_release_date 2018-01-24 _Entry.Original_release_date 2018-01-24 _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 . . . . 27387 2 Seung-Joo Lee . . . . 27387 3 Alan Rigby . . . . 27387 4 Sharon Townson . . . . 27387 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27387 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 646 27387 '15N chemical shifts' 164 27387 '1H chemical shifts' 164 27387 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 . . 2018-09-25 2018-01-24 update BMRB 'update entry citation' 27387 1 . . 2018-05-08 2018-01-24 original author 'original release' 27387 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27387 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29721757 _Citation.Full_citation . _Citation.Title ; NMR 1H,13C, 15N backbone and 13C side chain resonance assignment of the G12C mutant of human K-Ras bound to GDP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _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 269 _Citation.Page_last 272 _Citation.Year 2018 _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 . . . . 27387 1 2 Seung-Joo Lee . . . . 27387 1 3 Alan Rigby . . . . 27387 1 4 Sharon Townson . . . . 27387 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cell Proliferation' 27387 1 HSQC 27387 1 NMR 27387 1 'Ras family' 27387 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27387 _Assembly.ID 1 _Assembly.Name K-Ras4B _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20000 _Assembly.Enzyme_commission_number . _Assembly.Details K-Ras4B-GDP _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 $Ras_family_protein A . yes native no no . . . 27387 1 2 GDP 2 $entity_GDP B . no native no no . . . 27387 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ras_family_protein _Entity.Sf_category entity _Entity.Sf_framecode Ras_family_protein _Entity.Entry_ID 27387 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ras_family_protein _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 ; SMTEYKLVVVGACGVGKSAL TIQLIQNHFVDEYDPTIEDS YRKQVVIDGETCLLDILDTA GQEEYSAMRDQYMRTGEGFL CVFAINNTKSFEDIHHYREQ IKRVKDSEDVPMVLVGNKCD LPSRTVDTKQAQDLARSYGI PFIETSAKTRQGVDDAFYTL VREIRKHKEK ; _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 170 _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 0 SER . 27387 1 2 1 MET . 27387 1 3 2 THR . 27387 1 4 3 GLU . 27387 1 5 4 TYR . 27387 1 6 5 LYS . 27387 1 7 6 LEU . 27387 1 8 7 VAL . 27387 1 9 8 VAL . 27387 1 10 9 VAL . 27387 1 11 10 GLY . 27387 1 12 11 ALA . 27387 1 13 12 CYS . 27387 1 14 13 GLY . 27387 1 15 14 VAL . 27387 1 16 15 GLY . 27387 1 17 16 LYS . 27387 1 18 17 SER . 27387 1 19 18 ALA . 27387 1 20 19 LEU . 27387 1 21 20 THR . 27387 1 22 21 ILE . 27387 1 23 22 GLN . 27387 1 24 23 LEU . 27387 1 25 24 ILE . 27387 1 26 25 GLN . 27387 1 27 26 ASN . 27387 1 28 27 HIS . 27387 1 29 28 PHE . 27387 1 30 29 VAL . 27387 1 31 30 ASP . 27387 1 32 31 GLU . 27387 1 33 32 TYR . 27387 1 34 33 ASP . 27387 1 35 34 PRO . 27387 1 36 35 THR . 27387 1 37 36 ILE . 27387 1 38 37 GLU . 27387 1 39 38 ASP . 27387 1 40 39 SER . 27387 1 41 40 TYR . 27387 1 42 41 ARG . 27387 1 43 42 LYS . 27387 1 44 43 GLN . 27387 1 45 44 VAL . 27387 1 46 45 VAL . 27387 1 47 46 ILE . 27387 1 48 47 ASP . 27387 1 49 48 GLY . 27387 1 50 49 GLU . 27387 1 51 50 THR . 27387 1 52 51 CYS . 27387 1 53 52 LEU . 27387 1 54 53 LEU . 27387 1 55 54 ASP . 27387 1 56 55 ILE . 27387 1 57 56 LEU . 27387 1 58 57 ASP . 27387 1 59 58 THR . 27387 1 60 59 ALA . 27387 1 61 60 GLY . 27387 1 62 61 GLN . 27387 1 63 62 GLU . 27387 1 64 63 GLU . 27387 1 65 64 TYR . 27387 1 66 65 SER . 27387 1 67 66 ALA . 27387 1 68 67 MET . 27387 1 69 68 ARG . 27387 1 70 69 ASP . 27387 1 71 70 GLN . 27387 1 72 71 TYR . 27387 1 73 72 MET . 27387 1 74 73 ARG . 27387 1 75 74 THR . 27387 1 76 75 GLY . 27387 1 77 76 GLU . 27387 1 78 77 GLY . 27387 1 79 78 PHE . 27387 1 80 79 LEU . 27387 1 81 80 CYS . 27387 1 82 81 VAL . 27387 1 83 82 PHE . 27387 1 84 83 ALA . 27387 1 85 84 ILE . 27387 1 86 85 ASN . 27387 1 87 86 ASN . 27387 1 88 87 THR . 27387 1 89 88 LYS . 27387 1 90 89 SER . 27387 1 91 90 PHE . 27387 1 92 91 GLU . 27387 1 93 92 ASP . 27387 1 94 93 ILE . 27387 1 95 94 HIS . 27387 1 96 95 HIS . 27387 1 97 96 TYR . 27387 1 98 97 ARG . 27387 1 99 98 GLU . 27387 1 100 99 GLN . 27387 1 101 100 ILE . 27387 1 102 101 LYS . 27387 1 103 102 ARG . 27387 1 104 103 VAL . 27387 1 105 104 LYS . 27387 1 106 105 ASP . 27387 1 107 106 SER . 27387 1 108 107 GLU . 27387 1 109 108 ASP . 27387 1 110 109 VAL . 27387 1 111 110 PRO . 27387 1 112 111 MET . 27387 1 113 112 VAL . 27387 1 114 113 LEU . 27387 1 115 114 VAL . 27387 1 116 115 GLY . 27387 1 117 116 ASN . 27387 1 118 117 LYS . 27387 1 119 118 CYS . 27387 1 120 119 ASP . 27387 1 121 120 LEU . 27387 1 122 121 PRO . 27387 1 123 122 SER . 27387 1 124 123 ARG . 27387 1 125 124 THR . 27387 1 126 125 VAL . 27387 1 127 126 ASP . 27387 1 128 127 THR . 27387 1 129 128 LYS . 27387 1 130 129 GLN . 27387 1 131 130 ALA . 27387 1 132 131 GLN . 27387 1 133 132 ASP . 27387 1 134 133 LEU . 27387 1 135 134 ALA . 27387 1 136 135 ARG . 27387 1 137 136 SER . 27387 1 138 137 TYR . 27387 1 139 138 GLY . 27387 1 140 139 ILE . 27387 1 141 140 PRO . 27387 1 142 141 PHE . 27387 1 143 142 ILE . 27387 1 144 143 GLU . 27387 1 145 144 THR . 27387 1 146 145 SER . 27387 1 147 146 ALA . 27387 1 148 147 LYS . 27387 1 149 148 THR . 27387 1 150 149 ARG . 27387 1 151 150 GLN . 27387 1 152 151 GLY . 27387 1 153 152 VAL . 27387 1 154 153 ASP . 27387 1 155 154 ASP . 27387 1 156 155 ALA . 27387 1 157 156 PHE . 27387 1 158 157 TYR . 27387 1 159 158 THR . 27387 1 160 159 LEU . 27387 1 161 160 VAL . 27387 1 162 161 ARG . 27387 1 163 162 GLU . 27387 1 164 163 ILE . 27387 1 165 164 ARG . 27387 1 166 165 LYS . 27387 1 167 166 HIS . 27387 1 168 167 LYS . 27387 1 169 168 GLU . 27387 1 170 169 LYS . 27387 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 . SER 1 1 27387 1 . MET 2 2 27387 1 . THR 3 3 27387 1 . GLU 4 4 27387 1 . TYR 5 5 27387 1 . LYS 6 6 27387 1 . LEU 7 7 27387 1 . VAL 8 8 27387 1 . VAL 9 9 27387 1 . VAL 10 10 27387 1 . GLY 11 11 27387 1 . ALA 12 12 27387 1 . CYS 13 13 27387 1 . GLY 14 14 27387 1 . VAL 15 15 27387 1 . GLY 16 16 27387 1 . LYS 17 17 27387 1 . SER 18 18 27387 1 . ALA 19 19 27387 1 . LEU 20 20 27387 1 . THR 21 21 27387 1 . ILE 22 22 27387 1 . GLN 23 23 27387 1 . LEU 24 24 27387 1 . ILE 25 25 27387 1 . GLN 26 26 27387 1 . ASN 27 27 27387 1 . HIS 28 28 27387 1 . PHE 29 29 27387 1 . VAL 30 30 27387 1 . ASP 31 31 27387 1 . GLU 32 32 27387 1 . TYR 33 33 27387 1 . ASP 34 34 27387 1 . PRO 35 35 27387 1 . THR 36 36 27387 1 . ILE 37 37 27387 1 . GLU 38 38 27387 1 . ASP 39 39 27387 1 . SER 40 40 27387 1 . TYR 41 41 27387 1 . ARG 42 42 27387 1 . LYS 43 43 27387 1 . GLN 44 44 27387 1 . VAL 45 45 27387 1 . VAL 46 46 27387 1 . ILE 47 47 27387 1 . ASP 48 48 27387 1 . GLY 49 49 27387 1 . GLU 50 50 27387 1 . THR 51 51 27387 1 . CYS 52 52 27387 1 . LEU 53 53 27387 1 . LEU 54 54 27387 1 . ASP 55 55 27387 1 . ILE 56 56 27387 1 . LEU 57 57 27387 1 . ASP 58 58 27387 1 . THR 59 59 27387 1 . ALA 60 60 27387 1 . GLY 61 61 27387 1 . GLN 62 62 27387 1 . GLU 63 63 27387 1 . GLU 64 64 27387 1 . TYR 65 65 27387 1 . SER 66 66 27387 1 . ALA 67 67 27387 1 . MET 68 68 27387 1 . ARG 69 69 27387 1 . ASP 70 70 27387 1 . GLN 71 71 27387 1 . TYR 72 72 27387 1 . MET 73 73 27387 1 . ARG 74 74 27387 1 . THR 75 75 27387 1 . GLY 76 76 27387 1 . GLU 77 77 27387 1 . GLY 78 78 27387 1 . PHE 79 79 27387 1 . LEU 80 80 27387 1 . CYS 81 81 27387 1 . VAL 82 82 27387 1 . PHE 83 83 27387 1 . ALA 84 84 27387 1 . ILE 85 85 27387 1 . ASN 86 86 27387 1 . ASN 87 87 27387 1 . THR 88 88 27387 1 . LYS 89 89 27387 1 . SER 90 90 27387 1 . PHE 91 91 27387 1 . GLU 92 92 27387 1 . ASP 93 93 27387 1 . ILE 94 94 27387 1 . HIS 95 95 27387 1 . HIS 96 96 27387 1 . TYR 97 97 27387 1 . ARG 98 98 27387 1 . GLU 99 99 27387 1 . GLN 100 100 27387 1 . ILE 101 101 27387 1 . LYS 102 102 27387 1 . ARG 103 103 27387 1 . VAL 104 104 27387 1 . LYS 105 105 27387 1 . ASP 106 106 27387 1 . SER 107 107 27387 1 . GLU 108 108 27387 1 . ASP 109 109 27387 1 . VAL 110 110 27387 1 . PRO 111 111 27387 1 . MET 112 112 27387 1 . VAL 113 113 27387 1 . LEU 114 114 27387 1 . VAL 115 115 27387 1 . GLY 116 116 27387 1 . ASN 117 117 27387 1 . LYS 118 118 27387 1 . CYS 119 119 27387 1 . ASP 120 120 27387 1 . LEU 121 121 27387 1 . PRO 122 122 27387 1 . SER 123 123 27387 1 . ARG 124 124 27387 1 . THR 125 125 27387 1 . VAL 126 126 27387 1 . ASP 127 127 27387 1 . THR 128 128 27387 1 . LYS 129 129 27387 1 . GLN 130 130 27387 1 . ALA 131 131 27387 1 . GLN 132 132 27387 1 . ASP 133 133 27387 1 . LEU 134 134 27387 1 . ALA 135 135 27387 1 . ARG 136 136 27387 1 . SER 137 137 27387 1 . TYR 138 138 27387 1 . GLY 139 139 27387 1 . ILE 140 140 27387 1 . PRO 141 141 27387 1 . PHE 142 142 27387 1 . ILE 143 143 27387 1 . GLU 144 144 27387 1 . THR 145 145 27387 1 . SER 146 146 27387 1 . ALA 147 147 27387 1 . LYS 148 148 27387 1 . THR 149 149 27387 1 . ARG 150 150 27387 1 . GLN 151 151 27387 1 . GLY 152 152 27387 1 . VAL 153 153 27387 1 . ASP 154 154 27387 1 . ASP 155 155 27387 1 . ALA 156 156 27387 1 . PHE 157 157 27387 1 . TYR 158 158 27387 1 . THR 159 159 27387 1 . LEU 160 160 27387 1 . VAL 161 161 27387 1 . ARG 162 162 27387 1 . GLU 163 163 27387 1 . ILE 164 164 27387 1 . ARG 165 165 27387 1 . LYS 166 166 27387 1 . HIS 167 167 27387 1 . LYS 168 168 27387 1 . GLU 169 169 27387 1 . LYS 170 170 27387 1 stop_ save_ save_entity_GDP _Entity.Sf_category entity _Entity.Sf_framecode entity_GDP _Entity.Entry_ID 27387 _Entity.ID 2 _Entity.BMRB_code GDP _Entity.Name GUANOSINE-5'-DIPHOSPHATE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 443.201 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GUANOSINE-5'-DIPHOSPHATE BMRB 27387 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID GUANOSINE-5'-DIPHOSPHATE BMRB 27387 2 GDP 'Three letter code' 27387 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GDP $chem_comp_GDP 27387 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27387 _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 $Ras_family_protein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27387 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 27387 _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 $Ras_family_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27387 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GDP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GDP _Chem_comp.Entry_ID 27387 _Chem_comp.ID GDP _Chem_comp.Provenance PDB _Chem_comp.Name GUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code GDP _Chem_comp.PDB_code GDP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-05-13 _Chem_comp.Modified_date 2014-05-13 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GDP _Chem_comp.Number_atoms_all 43 _Chem_comp.Number_atoms_nh 28 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O11 P2' _Chem_comp.Formula_weight 443.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EK0 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 27387 GDP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.385 27387 GDP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.385 27387 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 12.01 27387 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 27387 GDP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.6 27387 GDP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 27387 GDP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 27387 GDP "guanosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 27387 GDP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB PB PB PB . P . . N 0 . . . 1 no no . . . . 13.635 . 17.027 . 28.402 . -5.743 -1.471 0.475 1 . 27387 GDP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 14.317 . 18.299 . 28.131 . -6.829 -0.831 -0.300 2 . 27387 GDP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 14.465 . 15.868 . 28.851 . -6.293 -1.885 1.930 3 . 27387 GDP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 12.657 . 17.014 . 29.609 . -5.234 -2.787 -0.301 4 . 27387 GDP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 13.031 . 16.438 . 26.904 . -4.519 -0.438 0.638 5 . 27387 GDP PA PA PA PA . P . . N 0 . . . 1 no no . . . . 12.164 . 17.382 . 25.843 . -3.821 0.633 -0.340 6 . 27387 GDP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 11.308 . 16.310 . 25.239 . -3.718 0.063 -1.702 7 . 27387 GDP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 11.654 . 18.737 . 26.082 . -4.708 1.976 -0.386 8 . 27387 GDP O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 13.417 . 17.470 . 24.852 . -2.348 0.981 0.208 9 . 27387 GDP C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 14.543 . 18.324 . 25.037 . -1.434 1.823 -0.497 10 . 27387 GDP C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 15.043 . 18.710 . 23.648 . -0.133 1.943 0.299 11 . 27387 GDP O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 15.183 . 17.536 . 22.793 . 0.533 0.670 0.344 12 . 27387 GDP C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 13.926 . 19.400 . 22.829 . 0.820 2.933 -0.399 13 . 27387 GDP O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 14.002 . 20.787 . 23.226 . 1.125 4.028 0.467 14 . 27387 GDP C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . 14.511 . 19.303 . 21.406 . 2.091 2.098 -0.686 15 . 27387 GDP O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 15.627 . 20.165 . 21.220 . 3.271 2.861 -0.428 16 . 27387 GDP C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . 15.015 . 17.874 . 21.438 . 1.952 0.935 0.329 17 . 27387 GDP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 13.968 . 16.928 . 20.922 . 2.691 -0.243 -0.132 18 . 27387 GDP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 13.129 . 16.056 . 21.555 . 2.200 -1.252 -0.908 19 . 27387 GDP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 12.358 . 15.405 . 20.737 . 3.131 -2.134 -1.125 20 . 27387 GDP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 12.701 . 15.869 . 19.474 . 4.272 -1.746 -0.504 21 . 27387 GDP C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 12.214 . 15.545 . 18.183 . 5.571 -2.295 -0.396 22 . 27387 GDP O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 11.326 . 14.728 . 17.882 . 5.850 -3.350 -0.939 23 . 27387 GDP N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 12.870 . 16.282 . 17.187 . 6.495 -1.620 0.324 24 . 27387 GDP C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 13.858 . 17.205 . 17.402 . 6.171 -0.441 0.927 25 . 27387 GDP N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 14.348 . 17.795 . 16.316 . 7.130 0.222 1.651 26 . 27387 GDP N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 14.329 . 17.524 . 18.614 . 4.968 0.079 0.834 27 . 27387 GDP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 13.701 . 16.819 . 19.565 . 4.003 -0.529 0.133 28 . 27387 GDP HOB2 HOB2 HOB2 HOB2 . H . . N 0 . . . 0 no no . . . . 15.376 . 16.131 . 28.902 . -7.033 -2.508 1.908 29 . 27387 GDP HOB3 HOB3 HOB3 HOB3 . H . . N 0 . . . 0 no no . . . . 12.643 . 17.873 . 30.015 . -4.521 -3.259 0.151 30 . 27387 GDP HOA2 HOA2 HOA2 HOA2 . H . . N 0 . . . 0 no no . . . . 10.749 . 18.789 . 25.799 . -4.818 2.404 0.474 31 . 27387 GDP H5' H5' H5' H5'1 . H . . N 0 . . . 1 no no . . . . 14.247 . 19.224 . 25.596 . -1.222 1.390 -1.475 32 . 27387 GDP H5'' H5'' H5'' H5'2 . H . . N 0 . . . 0 no no . . . . 15.333 . 17.793 . 25.589 . -1.874 2.811 -0.625 33 . 27387 GDP H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 15.955 . 19.324 . 23.692 . -0.349 2.285 1.312 34 . 27387 GDP H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 12.939 . 18.927 . 22.938 . 0.380 3.294 -1.329 35 . 27387 GDP HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 no yes . . . . 13.340 . 21.286 . 22.762 . 1.722 4.683 0.078 36 . 27387 GDP H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 13.729 . 19.439 . 20.644 . 2.088 1.724 -1.710 37 . 27387 GDP HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . 15.954 . 20.073 . 20.333 . 3.357 3.652 -0.979 38 . 27387 GDP H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 15.948 . 17.778 . 20.863 . 2.295 1.244 1.316 39 . 27387 GDP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 13.109 . 15.921 . 22.626 . 1.190 -1.310 -1.285 40 . 27387 GDP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 12.593 . 16.120 . 16.240 . 7.392 -1.977 0.412 41 . 27387 GDP HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 no no . . . . 15.071 . 18.480 . 16.402 . 8.023 -0.150 1.728 42 . 27387 GDP HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 no no . . . . 13.993 . 17.554 . 15.413 . 6.915 1.062 2.086 43 . 27387 GDP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 27387 GDP 2 . SING PB O2B no N 2 . 27387 GDP 3 . SING PB O3B no N 3 . 27387 GDP 4 . SING PB O3A no N 4 . 27387 GDP 5 . SING O2B HOB2 no N 5 . 27387 GDP 6 . SING O3B HOB3 no N 6 . 27387 GDP 7 . SING O3A PA no N 7 . 27387 GDP 8 . DOUB PA O1A no N 8 . 27387 GDP 9 . SING PA O2A no N 9 . 27387 GDP 10 . SING PA O5' no N 10 . 27387 GDP 11 . SING O2A HOA2 no N 11 . 27387 GDP 12 . SING O5' C5' no N 12 . 27387 GDP 13 . SING C5' C4' no N 13 . 27387 GDP 14 . SING C5' H5' no N 14 . 27387 GDP 15 . SING C5' H5'' no N 15 . 27387 GDP 16 . SING C4' O4' no N 16 . 27387 GDP 17 . SING C4' C3' no N 17 . 27387 GDP 18 . SING C4' H4' no N 18 . 27387 GDP 19 . SING O4' C1' no N 19 . 27387 GDP 20 . SING C3' O3' no N 20 . 27387 GDP 21 . SING C3' C2' no N 21 . 27387 GDP 22 . SING C3' H3' no N 22 . 27387 GDP 23 . SING O3' HO3' no N 23 . 27387 GDP 24 . SING C2' O2' no N 24 . 27387 GDP 25 . SING C2' C1' no N 25 . 27387 GDP 26 . SING C2' H2' no N 26 . 27387 GDP 27 . SING O2' HO2' no N 27 . 27387 GDP 28 . SING C1' N9 no N 28 . 27387 GDP 29 . SING C1' H1' no N 29 . 27387 GDP 30 . SING N9 C8 yes N 30 . 27387 GDP 31 . SING N9 C4 yes N 31 . 27387 GDP 32 . DOUB C8 N7 yes N 32 . 27387 GDP 33 . SING C8 H8 no N 33 . 27387 GDP 34 . SING N7 C5 yes N 34 . 27387 GDP 35 . SING C5 C6 no N 35 . 27387 GDP 36 . DOUB C5 C4 yes N 36 . 27387 GDP 37 . DOUB C6 O6 no N 37 . 27387 GDP 38 . SING C6 N1 no N 38 . 27387 GDP 39 . SING N1 C2 no N 39 . 27387 GDP 40 . SING N1 HN1 no N 40 . 27387 GDP 41 . SING C2 N2 no N 41 . 27387 GDP 42 . DOUB C2 N3 no N 42 . 27387 GDP 43 . SING N2 HN21 no N 43 . 27387 GDP 44 . SING N2 HN22 no N 44 . 27387 GDP 45 . SING N3 C4 no N 45 . 27387 GDP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27387 _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]' . . 1 $Ras_family_protein . . 0.55 0.5 0.6 mM . . . . 27387 1 2 D2O [U-2H] . . . . . . 7 . . % . . . . 27387 1 3 TRIS [U-2H] . . . . . . 50 . . mM . . . . 27387 1 4 TCEP [U-2H] . . . . . . 1 . . mM . . . . 27387 1 5 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 27387 1 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27387 1 7 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27387 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 27387 _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 27387 1 pH 7 . pH 27387 1 pressure 1 . atm 27387 1 temperature 298 . K 27387 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27387 _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 27387 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' https://www.ibbr.umd.edu/nmrpipe/install.html https://www.ibbr.umd.edu/nmrpipe/install.html 27387 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27387 1 'data analysis' 27387 1 'peak picking' 27387 1 processing 27387 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 27387 _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 27387 _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 . . . 27387 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 27387 _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 . . . . . . . . . . . . . . . . 27387 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27387 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27387 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27387 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27387 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27387 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27387 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27387 1 9 HN(CA)CO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27387 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 27387 _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 internal indirect 0.251449530 . . . . . 27387 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 27387 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 27387 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 27387 _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' . . . 27387 1 2 '2D 1H-13C HSQC' . . . 27387 1 3 '3D HNCACB' . . . 27387 1 4 '3D CBCA(CO)NH' . . . 27387 1 5 '3D HNCA' . . . 27387 1 6 '3D HN(CO)CA' . . . 27387 1 7 '3D HNCO' . . . 27387 1 8 '3D C(CO)NH' . . . 27387 1 9 HN(CA)CO . . . 27387 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 2 2 MET C C 13 175.22 . . . . . . . . 1 MET C . 27387 1 2 . 1 1 2 2 MET CA C 13 55.6 . . . . . . . . 1 MET CA . 27387 1 3 . 1 1 2 2 MET CB C 13 34.05 . . . . . . . . 1 MET CB . 27387 1 4 . 1 1 2 2 MET CG C 13 30.4 . . 1 . . . . . 1 MET CG . 27387 1 5 . 1 1 3 3 THR H H 1 8.673 . . . . . . . . 2 THR H . 27387 1 6 . 1 1 3 3 THR C C 13 172.11 . . . . . . . . 2 THR C . 27387 1 7 . 1 1 3 3 THR CA C 13 63.57 . . . . . . . . 2 THR CA . 27387 1 8 . 1 1 3 3 THR CB C 13 69.55 . . . . . . . . 2 THR CB . 27387 1 9 . 1 1 3 3 THR CG2 C 13 21.19 . . 1 . . . . . 2 THR CG2 . 27387 1 10 . 1 1 3 3 THR N N 15 123.68 . . . . . . . . 2 THR N . 27387 1 11 . 1 1 4 4 GLU H H 1 8.262 . . . . . . . . 3 GLU H . 27387 1 12 . 1 1 4 4 GLU C C 13 175.16 . . . . . . . . 3 GLU C . 27387 1 13 . 1 1 4 4 GLU CA C 13 54.01 . . . . . . . . 3 GLU CA . 27387 1 14 . 1 1 4 4 GLU CB C 13 31.86 . . . . . . . . 3 GLU CB . 27387 1 15 . 1 1 4 4 GLU CG C 13 35.73 . . 1 . . . . . 3 GLU CG . 27387 1 16 . 1 1 4 4 GLU N N 15 126.81 . . . . . . . . 3 GLU N . 27387 1 17 . 1 1 5 5 TYR H H 1 8.688 . . . . . . . . 4 TYR H . 27387 1 18 . 1 1 5 5 TYR C C 13 174.47 . . . . . . . . 4 TYR C . 27387 1 19 . 1 1 5 5 TYR CA C 13 56.71 . . . . . . . . 4 TYR CA . 27387 1 20 . 1 1 5 5 TYR CB C 13 41.68 . . . . . . . . 4 TYR CB . 27387 1 21 . 1 1 5 5 TYR N N 15 121.8 . . . . . . . . 4 TYR N . 27387 1 22 . 1 1 6 6 LYS H H 1 9.061 . . . . . . . . 5 LYS H . 27387 1 23 . 1 1 6 6 LYS C C 13 175.38 . . . . . . . . 5 LYS C . 27387 1 24 . 1 1 6 6 LYS CA C 13 55.41 . . . . . . . . 5 LYS CA . 27387 1 25 . 1 1 6 6 LYS CB C 13 32.99 . . . . . . . . 5 LYS CB . 27387 1 26 . 1 1 6 6 LYS CG C 13 24.26 . . 1 . . . . . 5 LYS CG . 27387 1 27 . 1 1 6 6 LYS CD C 13 28.38 . . 1 . . . . . 5 LYS CD . 27387 1 28 . 1 1 6 6 LYS N N 15 124.55 . . . . . . . . 5 LYS N . 27387 1 29 . 1 1 7 7 LEU H H 1 9.478 . . . . . . . . 6 LEU H . 27387 1 30 . 1 1 7 7 LEU C C 13 175.59 . . . . . . . . 6 LEU C . 27387 1 31 . 1 1 7 7 LEU CA C 13 52.61 . . . . . . . . 6 LEU CA . 27387 1 32 . 1 1 7 7 LEU CB C 13 44.21 . . . . . . . . 6 LEU CB . 27387 1 33 . 1 1 7 7 LEU CG C 13 26.32 . . 1 . . . . . 6 LEU CG . 27387 1 34 . 1 1 7 7 LEU CD1 C 13 24.56 . . . . . . . . 6 LEU CD1 . 27387 1 35 . 1 1 7 7 LEU CD2 C 13 24.56 . . . . . . . . 6 LEU CD2 . 27387 1 36 . 1 1 7 7 LEU N N 15 126.67 . . . . . . . . 6 LEU N . 27387 1 37 . 1 1 8 8 VAL H H 1 7.84 . . . . . . . . 7 VAL H . 27387 1 38 . 1 1 8 8 VAL C C 13 174.18 . . . . . . . . 7 VAL C . 27387 1 39 . 1 1 8 8 VAL CA C 13 61.15 . . . . . . . . 7 VAL CA . 27387 1 40 . 1 1 8 8 VAL CB C 13 34.27 . . . . . . . . 7 VAL CB . 27387 1 41 . 1 1 8 8 VAL CG1 C 13 21.4 . . . . . . . . 7 VAL CG1 . 27387 1 42 . 1 1 8 8 VAL CG2 C 13 21.4 . . . . . . . . 7 VAL CG2 . 27387 1 43 . 1 1 8 8 VAL N N 15 120.13 . . . . . . . . 7 VAL N . 27387 1 44 . 1 1 9 9 VAL H H 1 8.941 . . . . . . . . 8 VAL H . 27387 1 45 . 1 1 9 9 VAL C C 13 175.52 . . . . . . . . 8 VAL C . 27387 1 46 . 1 1 9 9 VAL CA C 13 62.15 . . . . . . . . 8 VAL CA . 27387 1 47 . 1 1 9 9 VAL CB C 13 32.41 . . . . . . . . 8 VAL CB . 27387 1 48 . 1 1 9 9 VAL CG1 C 13 21.34 . . . . . . . . 8 VAL CG1 . 27387 1 49 . 1 1 9 9 VAL CG2 C 13 19.53 . . . . . . . . 8 VAL CG2 . 27387 1 50 . 1 1 9 9 VAL N N 15 129.05 . . . . . . . . 8 VAL N . 27387 1 51 . 1 1 10 10 VAL H H 1 9.124 . . . . . . . . 9 VAL H . 27387 1 52 . 1 1 10 10 VAL C C 13 172.85 . . . . . . . . 9 VAL C . 27387 1 53 . 1 1 10 10 VAL CA C 13 59.3 . . . . . . . . 9 VAL CA . 27387 1 54 . 1 1 10 10 VAL CB C 13 35.4 . . . . . . . . 9 VAL CB . 27387 1 55 . 1 1 10 10 VAL CG1 C 13 21.41 . . . . . . . . 9 VAL CG1 . 27387 1 56 . 1 1 10 10 VAL CG2 C 13 19.71 . . . . . . . . 9 VAL CG2 . 27387 1 57 . 1 1 10 10 VAL N N 15 120.67 . . . . . . . . 9 VAL N . 27387 1 58 . 1 1 11 11 GLY H H 1 7.08 . . . . . . . . 10 GLY H . 27387 1 59 . 1 1 11 11 GLY C C 13 172.85 . . . . . . . . 10 GLY C . 27387 1 60 . 1 1 11 11 GLY CA C 13 43.7 . . . . . . . . 10 GLY CA . 27387 1 61 . 1 1 11 11 GLY N N 15 107.62 . . . . . . . . 10 GLY N . 27387 1 62 . 1 1 12 12 ALA H H 1 9.133 . . . . . . . . 11 ALA H . 27387 1 63 . 1 1 12 12 ALA C C 13 176.71 . . . . . . . . 11 ALA C . 27387 1 64 . 1 1 12 12 ALA CA C 13 52.71 . . . . . . . . 11 ALA CA . 27387 1 65 . 1 1 12 12 ALA CB C 13 18.99 . . . . . . . . 11 ALA CB . 27387 1 66 . 1 1 12 12 ALA N N 15 124.06 . . . . . . . . 11 ALA N . 27387 1 67 . 1 1 13 13 CYS H H 1 8.576 . . . . . . . . 12 CYS H . 27387 1 68 . 1 1 13 13 CYS C C 13 176.93 . . . . . . . . 12 CYS C . 27387 1 69 . 1 1 13 13 CYS CA C 13 61.3 . . . . . . . . 12 CYS CA . 27387 1 70 . 1 1 13 13 CYS CB C 13 26.6 . . . . . . . . 12 CYS CB . 27387 1 71 . 1 1 13 13 CYS N N 15 120.02 . . . . . . . . 12 CYS N . 27387 1 72 . 1 1 14 14 GLY H H 1 11.021 . . . . . . . . 13 GLY H . 27387 1 73 . 1 1 14 14 GLY C C 13 175.28 . . . . . . . . 13 GLY C . 27387 1 74 . 1 1 14 14 GLY CA C 13 45.71 . . . . . . . . 13 GLY CA . 27387 1 75 . 1 1 14 14 GLY N N 15 119.59 . . . . . . . . 13 GLY N . 27387 1 76 . 1 1 15 15 VAL H H 1 7.707 . . . . . . . . 14 VAL H . 27387 1 77 . 1 1 15 15 VAL C C 13 174.46 . . . . . . . . 14 VAL C . 27387 1 78 . 1 1 15 15 VAL CA C 13 62.86 . . . . . . . . 14 VAL CA . 27387 1 79 . 1 1 15 15 VAL CB C 13 32.23 . . . . . . . . 14 VAL CB . 27387 1 80 . 1 1 15 15 VAL CG1 C 13 26.15 . . . . . . . . 14 VAL CG1 . 27387 1 81 . 1 1 15 15 VAL CG2 C 13 26.15 . . . . . . . . 14 VAL CG2 . 27387 1 82 . 1 1 15 15 VAL N N 15 113.87 . . . . . . . . 14 VAL N . 27387 1 83 . 1 1 16 16 GLY H H 1 8.562 . . . . . . . . 15 GLY H . 27387 1 84 . 1 1 16 16 GLY C C 13 173.8 . . . . . . . . 15 GLY C . 27387 1 85 . 1 1 16 16 GLY CA C 13 46.25 . . . . . . . . 15 GLY CA . 27387 1 86 . 1 1 16 16 GLY N N 15 109.71 . . . . . . . . 15 GLY N . 27387 1 87 . 1 1 17 17 LYS H H 1 10.62 . . . . . . . . 16 LYS H . 27387 1 88 . 1 1 17 17 LYS C C 13 179.8 . . . . . . . . 16 LYS C . 27387 1 89 . 1 1 17 17 LYS CA C 13 61.21 . . . . . . . . 16 LYS CA . 27387 1 90 . 1 1 17 17 LYS CB C 13 29.61 . . . . . . . . 16 LYS CB . 27387 1 91 . 1 1 17 17 LYS CG C 13 22.93 . . 1 . . . . . 16 LYS CG . 27387 1 92 . 1 1 17 17 LYS N N 15 125.57 . . . . . . . . 16 LYS N . 27387 1 93 . 1 1 18 18 SER H H 1 9.352 . . . . . . . . 17 SER H . 27387 1 94 . 1 1 18 18 SER C C 13 175.72 . . . . . . . . 17 SER C . 27387 1 95 . 1 1 18 18 SER CA C 13 61.07 . . . . . . . . 17 SER CA . 27387 1 96 . 1 1 18 18 SER N N 15 120.66 . . . . . . . . 17 SER N . 27387 1 97 . 1 1 19 19 ALA H H 1 9.372 . . . . . . . . 18 ALA H . 27387 1 98 . 1 1 19 19 ALA C C 13 182.11 . . . . . . . . 18 ALA C . 27387 1 99 . 1 1 19 19 ALA CA C 13 54.36 . . . . . . . . 18 ALA CA . 27387 1 100 . 1 1 19 19 ALA CB C 13 18.51 . . . . . . . . 18 ALA CB . 27387 1 101 . 1 1 19 19 ALA N N 15 125.29 . . . . . . . . 18 ALA N . 27387 1 102 . 1 1 20 20 LEU H H 1 8.981 . . . . . . . . 19 LEU H . 27387 1 103 . 1 1 20 20 LEU C C 13 177.63 . . . . . . . . 19 LEU C . 27387 1 104 . 1 1 20 20 LEU CA C 13 58.77 . . . . . . . . 19 LEU CA . 27387 1 105 . 1 1 20 20 LEU CB C 13 43.24 . . . . . . . . 19 LEU CB . 27387 1 106 . 1 1 20 20 LEU CG C 13 26.05 . . 1 . . . . . 19 LEU CG . 27387 1 107 . 1 1 20 20 LEU CD1 C 13 23.97 . . . . . . . . 19 LEU CD1 . 27387 1 108 . 1 1 20 20 LEU CD2 C 13 23.97 . . . . . . . . 19 LEU CD2 . 27387 1 109 . 1 1 20 20 LEU N N 15 120.45 . . . . . . . . 19 LEU N . 27387 1 110 . 1 1 21 21 THR H H 1 7.696 . . . . . . . . 20 THR H . 27387 1 111 . 1 1 21 21 THR C C 13 175.94 . . . . . . . . 20 THR C . 27387 1 112 . 1 1 21 21 THR CA C 13 68.32 . . . . . . . . 20 THR CA . 27387 1 113 . 1 1 21 21 THR CB C 13 66.98 . . . . . . . . 20 THR CB . 27387 1 114 . 1 1 21 21 THR CG2 C 13 21.49 . . 1 . . . . . 20 THR CG2 . 27387 1 115 . 1 1 21 21 THR N N 15 116.92 . . . . . . . . 20 THR N . 27387 1 116 . 1 1 22 22 ILE H H 1 8.835 . . . . . . . . 21 ILE H . 27387 1 117 . 1 1 22 22 ILE C C 13 179.15 . . . . . . . . 21 ILE C . 27387 1 118 . 1 1 22 22 ILE CA C 13 64.8 . . . . . . . . 21 ILE CA . 27387 1 119 . 1 1 22 22 ILE CB C 13 36.3 . . . . . . . . 21 ILE CB . 27387 1 120 . 1 1 22 22 ILE CG1 C 13 28.8 . . 1 . . . . . 21 ILE CG1 . 27387 1 121 . 1 1 22 22 ILE CG2 C 13 17.01 . . 1 . . . . . 21 ILE CG2 . 27387 1 122 . 1 1 22 22 ILE N N 15 120.75 . . . . . . . . 21 ILE N . 27387 1 123 . 1 1 23 23 GLN H H 1 7.788 . . . . . . . . 22 GLN H . 27387 1 124 . 1 1 23 23 GLN C C 13 179.36 . . . . . . . . 22 GLN C . 27387 1 125 . 1 1 23 23 GLN CA C 13 59.18 . . . . . . . . 22 GLN CA . 27387 1 126 . 1 1 23 23 GLN CB C 13 29.43 . . . . . . . . 22 GLN CB . 27387 1 127 . 1 1 23 23 GLN CG C 13 32.45 . . 1 . . . . . 22 GLN CG . 27387 1 128 . 1 1 23 23 GLN N N 15 120.92 . . . . . . . . 22 GLN N . 27387 1 129 . 1 1 24 24 LEU H H 1 7.581 . . . . . . . . 23 LEU H . 27387 1 130 . 1 1 24 24 LEU C C 13 178.27 . . . . . . . . 23 LEU C . 27387 1 131 . 1 1 24 24 LEU CA C 13 58.05 . . . . . . . . 23 LEU CA . 27387 1 132 . 1 1 24 24 LEU CB C 13 40.74 . . . . . . . . 23 LEU CB . 27387 1 133 . 1 1 24 24 LEU CG C 13 25.16 . . 1 . . . . . 23 LEU CG . 27387 1 134 . 1 1 24 24 LEU CD1 C 13 23.44 . . . . . . . . 23 LEU CD1 . 27387 1 135 . 1 1 24 24 LEU CD2 C 13 23.44 . . . . . . . . 23 LEU CD2 . 27387 1 136 . 1 1 24 24 LEU N N 15 120.75 . . . . . . . . 23 LEU N . 27387 1 137 . 1 1 25 25 ILE H H 1 7.987 . . . . . . . . 24 ILE H . 27387 1 138 . 1 1 25 25 ILE C C 13 177.64 . . . . . . . . 24 ILE C . 27387 1 139 . 1 1 25 25 ILE CA C 13 62.29 . . . . . . . . 24 ILE CA . 27387 1 140 . 1 1 25 25 ILE CB C 13 37.31 . . . . . . . . 24 ILE CB . 27387 1 141 . 1 1 25 25 ILE CG1 C 13 25.26 . . 1 . . . . . 24 ILE CG1 . 27387 1 142 . 1 1 25 25 ILE CG2 C 13 16.71 . . 1 . . . . . 24 ILE CG2 . 27387 1 143 . 1 1 25 25 ILE N N 15 114.03 . . . . . . . . 24 ILE N . 27387 1 144 . 1 1 26 26 GLN H H 1 8.928 . . . . . . . . 25 GLN H . 27387 1 145 . 1 1 26 26 GLN C C 13 176.43 . . . . . . . . 25 GLN C . 27387 1 146 . 1 1 26 26 GLN CA C 13 55.2 . . . . . . . . 25 GLN CA . 27387 1 147 . 1 1 26 26 GLN CB C 13 30.25 . . . . . . . . 25 GLN CB . 27387 1 148 . 1 1 26 26 GLN CG C 13 32.87 . . 1 . . . . . 25 GLN CG . 27387 1 149 . 1 1 26 26 GLN N N 15 115.86 . . . . . . . . 25 GLN N . 27387 1 150 . 1 1 27 27 ASN H H 1 7.922 . . . . . . . . 26 ASN H . 27387 1 151 . 1 1 27 27 ASN C C 13 174.17 . . . . . . . . 26 ASN C . 27387 1 152 . 1 1 27 27 ASN CA C 13 54.58 . . . . . . . . 26 ASN CA . 27387 1 153 . 1 1 27 27 ASN CB C 13 37.23 . . . . . . . . 26 ASN CB . 27387 1 154 . 1 1 27 27 ASN N N 15 116.45 . . . . . . . . 26 ASN N . 27387 1 155 . 1 1 28 28 HIS H H 1 6.67 . . . . . . . . 27 HIS H . 27387 1 156 . 1 1 28 28 HIS C C 13 176.27 . . . . . . . . 27 HIS C . 27387 1 157 . 1 1 28 28 HIS CA C 13 54.29 . . . . . . . . 27 HIS CA . 27387 1 158 . 1 1 28 28 HIS CB C 13 31.82 . . . . . . . . 27 HIS CB . 27387 1 159 . 1 1 28 28 HIS N N 15 110.36 . . . . . . . . 27 HIS N . 27387 1 160 . 1 1 29 29 PHE H H 1 8.613 . . . . . . . . 28 PHE H . 27387 1 161 . 1 1 29 29 PHE C C 13 174.68 . . . . . . . . 28 PHE C . 27387 1 162 . 1 1 29 29 PHE CA C 13 55.09 . . . . . . . . 28 PHE CA . 27387 1 163 . 1 1 29 29 PHE CB C 13 39.34 . . . . . . . . 28 PHE CB . 27387 1 164 . 1 1 29 29 PHE N N 15 122.5 . . . . . . . . 28 PHE N . 27387 1 165 . 1 1 30 30 VAL H H 1 7.622 . . . . . . . . 29 VAL H . 27387 1 166 . 1 1 30 30 VAL C C 13 175.04 . . . . . . . . 29 VAL C . 27387 1 167 . 1 1 30 30 VAL CA C 13 59.49 . . . . . . . . 29 VAL CA . 27387 1 168 . 1 1 30 30 VAL CB C 13 31.53 . . . . . . . . 29 VAL CB . 27387 1 169 . 1 1 30 30 VAL CG1 C 13 21.29 . . . . . . . . 29 VAL CG1 . 27387 1 170 . 1 1 30 30 VAL CG2 C 13 18.66 . . . . . . . . 29 VAL CG2 . 27387 1 171 . 1 1 30 30 VAL N N 15 126.5 . . . . . . . . 29 VAL N . 27387 1 172 . 1 1 31 31 ASP H H 1 7.762 . . . . . . . . 30 ASP H . 27387 1 173 . 1 1 31 31 ASP C C 13 178.2 . . . . . . . . 30 ASP C . 27387 1 174 . 1 1 31 31 ASP CA C 13 54.52 . . . . . . . . 30 ASP CA . 27387 1 175 . 1 1 31 31 ASP CB C 13 40.98 . . . . . . . . 30 ASP CB . 27387 1 176 . 1 1 31 31 ASP N N 15 122.36 . . . . . . . . 30 ASP N . 27387 1 177 . 1 1 32 32 GLU H H 1 7.584 . . . . . . . . 31 GLU H . 27387 1 178 . 1 1 32 32 GLU C C 13 174.27 . . . . . . . . 31 GLU C . 27387 1 179 . 1 1 32 32 GLU CA C 13 55.32 . . . . . . . . 31 GLU CA . 27387 1 180 . 1 1 32 32 GLU CB C 13 30.1 . . . . . . . . 31 GLU CB . 27387 1 181 . 1 1 32 32 GLU N N 15 119.03 . . . . . . . . 31 GLU N . 27387 1 182 . 1 1 33 33 TYR H H 1 8.792 . . . . . . . . 32 TYR H . 27387 1 183 . 1 1 33 33 TYR C C 13 175.34 . . . . . . . . 32 TYR C . 27387 1 184 . 1 1 33 33 TYR CA C 13 58.85 . . . . . . . . 32 TYR CA . 27387 1 185 . 1 1 33 33 TYR CB C 13 39.13 . . . . . . . . 32 TYR CB . 27387 1 186 . 1 1 33 33 TYR N N 15 126.17 . . . . . . . . 32 TYR N . 27387 1 187 . 1 1 34 34 ASP H H 1 7.788 . . . . . . . . 33 ASP H . 27387 1 188 . 1 1 34 34 ASP CA C 13 52.62 . . . . . . . . 33 ASP CA . 27387 1 189 . 1 1 34 34 ASP CB C 13 41.71 . . . . . . . . 33 ASP CB . 27387 1 190 . 1 1 34 34 ASP N N 15 128.89 . . . . . . . . 33 ASP N . 27387 1 191 . 1 1 35 35 PRO C C 13 178.77 . . . . . . . . 34 PRO C . 27387 1 192 . 1 1 35 35 PRO CA C 13 63.89 . . . . . . . . 34 PRO CA . 27387 1 193 . 1 1 35 35 PRO CB C 13 33.41 . . . . . . . . 34 PRO CB . 27387 1 194 . 1 1 36 36 THR H H 1 8.991 . . . . . . . . 35 THR H . 27387 1 195 . 1 1 36 36 THR C C 13 174.63 . . . . . . . . 35 THR C . 27387 1 196 . 1 1 36 36 THR CA C 13 62.16 . . . . . . . . 35 THR CA . 27387 1 197 . 1 1 36 36 THR CB C 13 70.24 . . . . . . . . 35 THR CB . 27387 1 198 . 1 1 36 36 THR CG2 C 13 26.19 . . 1 . . . . . 35 THR CG2 . 27387 1 199 . 1 1 36 36 THR N N 15 109.53 . . . . . . . . 35 THR N . 27387 1 200 . 1 1 37 37 ILE H H 1 6.701 . . . . . . . . 36 ILE H . 27387 1 201 . 1 1 37 37 ILE C C 13 174.75 . . . . . . . . 36 ILE C . 27387 1 202 . 1 1 37 37 ILE CA C 13 62.3 . . . . . . . . 36 ILE CA . 27387 1 203 . 1 1 37 37 ILE CB C 13 38.16 . . . . . . . . 36 ILE CB . 27387 1 204 . 1 1 37 37 ILE CG1 C 13 26.82 . . 1 . . . . . 36 ILE CG1 . 27387 1 205 . 1 1 37 37 ILE CG2 C 13 16.75 . . 1 . . . . . 36 ILE CG2 . 27387 1 206 . 1 1 37 37 ILE N N 15 120.83 . . . . . . . . 36 ILE N . 27387 1 207 . 1 1 38 38 GLU H H 1 8.395 . . . . . . . . 37 GLU H . 27387 1 208 . 1 1 38 38 GLU C C 13 174.12 . . . . . . . . 37 GLU C . 27387 1 209 . 1 1 38 38 GLU CA C 13 54.33 . . . . . . . . 37 GLU CA . 27387 1 210 . 1 1 38 38 GLU CB C 13 32.81 . . . . . . . . 37 GLU CB . 27387 1 211 . 1 1 38 38 GLU CG C 13 36.34 . . 1 . . . . . 37 GLU CG . 27387 1 212 . 1 1 38 38 GLU N N 15 132.82 . . . . . . . . 37 GLU N . 27387 1 213 . 1 1 39 39 ASP H H 1 8.112 . . . . . . . . 38 ASP H . 27387 1 214 . 1 1 39 39 ASP C C 13 173.23 . . . . . . . . 38 ASP C . 27387 1 215 . 1 1 39 39 ASP CA C 13 52.53 . . . . . . . . 38 ASP CA . 27387 1 216 . 1 1 39 39 ASP CB C 13 43.76 . . . . . . . . 38 ASP CB . 27387 1 217 . 1 1 39 39 ASP N N 15 124.89 . . . . . . . . 38 ASP N . 27387 1 218 . 1 1 40 40 SER H H 1 8.383 . . . . . . . . 39 SER H . 27387 1 219 . 1 1 40 40 SER C C 13 173.93 . . . . . . . . 39 SER C . 27387 1 220 . 1 1 40 40 SER CA C 13 55.74 . . . . . . . . 39 SER CA . 27387 1 221 . 1 1 40 40 SER CB C 13 66.14 . . . . . . . . 39 SER CB . 27387 1 222 . 1 1 40 40 SER N N 15 114.07 . . . . . . . . 39 SER N . 27387 1 223 . 1 1 41 41 TYR H H 1 9.029 . . . . . . . . 40 TYR H . 27387 1 224 . 1 1 41 41 TYR C C 13 174.34 . . . . . . . . 40 TYR C . 27387 1 225 . 1 1 41 41 TYR CA C 13 56.87 . . . . . . . . 40 TYR CA . 27387 1 226 . 1 1 41 41 TYR CB C 13 43.49 . . . . . . . . 40 TYR CB . 27387 1 227 . 1 1 41 41 TYR N N 15 121.61 . . . . . . . . 40 TYR N . 27387 1 228 . 1 1 42 42 ARG H H 1 8.352 . . . . . . . . 41 ARG H . 27387 1 229 . 1 1 42 42 ARG C C 13 176.36 . . . . . . . . 41 ARG C . 27387 1 230 . 1 1 42 42 ARG CA C 13 54.17 . . . . . . . . 41 ARG CA . 27387 1 231 . 1 1 42 42 ARG CB C 13 34.02 . . . . . . . . 41 ARG CB . 27387 1 232 . 1 1 42 42 ARG CG C 13 27.01 . . 1 . . . . . 41 ARG CG . 27387 1 233 . 1 1 42 42 ARG CD C 13 42.53 . . 1 . . . . . 41 ARG CD . 27387 1 234 . 1 1 42 42 ARG N N 15 120.15 . . . . . . . . 41 ARG N . 27387 1 235 . 1 1 43 43 LYS H H 1 8.568 . . . . . . . . 42 LYS H . 27387 1 236 . 1 1 43 43 LYS C C 13 173.75 . . . . . . . . 42 LYS C . 27387 1 237 . 1 1 43 43 LYS CA C 13 55.54 . . . . . . . . 42 LYS CA . 27387 1 238 . 1 1 43 43 LYS CB C 13 37.94 . . . . . . . . 42 LYS CB . 27387 1 239 . 1 1 43 43 LYS CG C 13 24.33 . . 1 . . . . . 42 LYS CG . 27387 1 240 . 1 1 43 43 LYS CD C 13 29.42 . . 1 . . . . . 42 LYS CD . 27387 1 241 . 1 1 43 43 LYS CE C 13 41.50 . . 1 . . . . . 42 LYS CE . 27387 1 242 . 1 1 43 43 LYS N N 15 121.82 . . . . . . . . 42 LYS N . 27387 1 243 . 1 1 44 44 GLN H H 1 8.763 . . . . . . . . 43 GLN H . 27387 1 244 . 1 1 44 44 GLN C C 13 175.29 . . . . . . . . 43 GLN C . 27387 1 245 . 1 1 44 44 GLN CA C 13 55.28 . . . . . . . . 43 GLN CA . 27387 1 246 . 1 1 44 44 GLN CB C 13 29.74 . . . . . . . . 43 GLN CB . 27387 1 247 . 1 1 44 44 GLN CG C 13 33.73 . . 1 . . . . . 43 GLN CG . 27387 1 248 . 1 1 44 44 GLN N N 15 128.85 . . . . . . . . 43 GLN N . 27387 1 249 . 1 1 45 45 VAL H H 1 9.033 . . . . . . . . 44 VAL H . 27387 1 250 . 1 1 45 45 VAL C C 13 173.15 . . . . . . . . 44 VAL C . 27387 1 251 . 1 1 45 45 VAL CA C 13 59.57 . . . . . . . . 44 VAL CA . 27387 1 252 . 1 1 45 45 VAL CB C 13 36.09 . . . . . . . . 44 VAL CB . 27387 1 253 . 1 1 45 45 VAL CG1 C 13 21.00 . . . . . . . . 44 VAL CG1 . 27387 1 254 . 1 1 45 45 VAL CG2 C 13 19.09 . . . . . . . . 44 VAL CG2 . 27387 1 255 . 1 1 45 45 VAL N N 15 121.6 . . . . . . . . 44 VAL N . 27387 1 256 . 1 1 46 46 VAL H H 1 8.034 . . . . . . . . 45 VAL H . 27387 1 257 . 1 1 46 46 VAL C C 13 175.62 . . . . . . . . 45 VAL C . 27387 1 258 . 1 1 46 46 VAL CA C 13 61.6 . . . . . . . . 45 VAL CA . 27387 1 259 . 1 1 46 46 VAL CB C 13 32.28 . . . . . . . . 45 VAL CB . 27387 1 260 . 1 1 46 46 VAL CG2 C 13 20.07 . . . . . . . . 45 VAL CG2 . 27387 1 261 . 1 1 46 46 VAL N N 15 121.91 . . . . . . . . 45 VAL N . 27387 1 262 . 1 1 47 47 ILE H H 1 8.219 . . . . . . . . 46 ILE H . 27387 1 263 . 1 1 47 47 ILE C C 13 176.59 . . . . . . . . 46 ILE C . 27387 1 264 . 1 1 47 47 ILE CA C 13 60.26 . . . . . . . . 46 ILE CA . 27387 1 265 . 1 1 47 47 ILE CB C 13 39.9 . . . . . . . . 46 ILE CB . 27387 1 266 . 1 1 47 47 ILE CG1 C 13 25.33 . . 1 . . . . . 46 ILE CG1 . 27387 1 267 . 1 1 47 47 ILE CG2 C 13 15.4 . . 1 . . . . . 46 ILE CG2 . 27387 1 268 . 1 1 47 47 ILE CD1 C 13 15.4 . . 1 . . . . . 46 ILE CD1 . 27387 1 269 . 1 1 47 47 ILE N N 15 125.79 . . . . . . . . 46 ILE N . 27387 1 270 . 1 1 48 48 ASP H H 1 9.442 . . . . . . . . 47 ASP H . 27387 1 271 . 1 1 48 48 ASP C C 13 176.19 . . . . . . . . 47 ASP C . 27387 1 272 . 1 1 48 48 ASP CA C 13 55.35 . . . . . . . . 47 ASP CA . 27387 1 273 . 1 1 48 48 ASP CB C 13 39.52 . . . . . . . . 47 ASP CB . 27387 1 274 . 1 1 48 48 ASP N N 15 130.24 . . . . . . . . 47 ASP N . 27387 1 275 . 1 1 49 49 GLY H H 1 8.21 . . . . . . . . 48 GLY H . 27387 1 276 . 1 1 49 49 GLY C C 13 173.17 . . . . . . . . 48 GLY C . 27387 1 277 . 1 1 49 49 GLY CA C 13 45.33 . . . . . . . . 48 GLY CA . 27387 1 278 . 1 1 49 49 GLY N N 15 103.34 . . . . . . . . 48 GLY N . 27387 1 279 . 1 1 50 50 GLU H H 1 7.625 . . . . . . . . 49 GLU H . 27387 1 280 . 1 1 50 50 GLU C C 13 175.63 . . . . . . . . 49 GLU C . 27387 1 281 . 1 1 50 50 GLU CA C 13 54.69 . . . . . . . . 49 GLU CA . 27387 1 282 . 1 1 50 50 GLU CB C 13 31.78 . . . . . . . . 49 GLU CB . 27387 1 283 . 1 1 50 50 GLU CG C 13 35.41 . . 1 . . . . . 49 GLU CG . 27387 1 284 . 1 1 50 50 GLU N N 15 122.65 . . . . . . . . 49 GLU N . 27387 1 285 . 1 1 51 51 THR H H 1 8.881 . . . . . . . . 50 THR H . 27387 1 286 . 1 1 51 51 THR C C 13 173.53 . . . . . . . . 50 THR C . 27387 1 287 . 1 1 51 51 THR CA C 13 63.78 . . . . . . . . 50 THR CA . 27387 1 288 . 1 1 51 51 THR CB C 13 68.37 . . . . . . . . 50 THR CB . 27387 1 289 . 1 1 51 51 THR CG2 C 13 21.24 . . 1 . . . . . 50 THR CG2 . 27387 1 290 . 1 1 51 51 THR N N 15 125.77 . . . . . . . . 50 THR N . 27387 1 291 . 1 1 52 52 CYS H H 1 9.32 . . . . . . . . 51 CYS H . 27387 1 292 . 1 1 52 52 CYS C C 13 171.31 . . . . . . . . 51 CYS C . 27387 1 293 . 1 1 52 52 CYS CA C 13 56.42 . . . . . . . . 51 CYS CA . 27387 1 294 . 1 1 52 52 CYS CB C 13 31.28 . . . . . . . . 51 CYS CB . 27387 1 295 . 1 1 52 52 CYS N N 15 124.76 . . . . . . . . 51 CYS N . 27387 1 296 . 1 1 53 53 LEU H H 1 8.728 . . . . . . . . 52 LEU H . 27387 1 297 . 1 1 53 53 LEU C C 13 175.08 . . . . . . . . 52 LEU C . 27387 1 298 . 1 1 53 53 LEU CA C 13 53.29 . . . . . . . . 52 LEU CA . 27387 1 299 . 1 1 53 53 LEU CB C 13 44.21 . . . . . . . . 52 LEU CB . 27387 1 300 . 1 1 53 53 LEU CG C 13 26.59 . . 1 . . . . . 52 LEU CG . 27387 1 301 . 1 1 53 53 LEU CD1 C 13 23.74 . . . . . . . . 52 LEU CD1 . 27387 1 302 . 1 1 53 53 LEU CD2 C 13 23.74 . . . . . . . . 52 LEU CD2 . 27387 1 303 . 1 1 53 53 LEU N N 15 122.54 . . . . . . . . 52 LEU N . 27387 1 304 . 1 1 54 54 LEU H H 1 8.995 . . . . . . . . 53 LEU H . 27387 1 305 . 1 1 54 54 LEU C C 13 174.41 . . . . . . . . 53 LEU C . 27387 1 306 . 1 1 54 54 LEU CA C 13 53.63 . . . . . . . . 53 LEU CA . 27387 1 307 . 1 1 54 54 LEU CB C 13 42.07 . . . . . . . . 53 LEU CB . 27387 1 308 . 1 1 54 54 LEU CG C 13 26.06 . . 1 . . . . . 53 LEU CG . 27387 1 309 . 1 1 54 54 LEU CD1 C 13 24.72 . . . . . . . . 53 LEU CD1 . 27387 1 310 . 1 1 54 54 LEU CD2 C 13 23.07 . . . . . . . . 53 LEU CD2 . 27387 1 311 . 1 1 54 54 LEU N N 15 123.76 . . . . . . . . 53 LEU N . 27387 1 312 . 1 1 55 55 ASP H H 1 8.641 . . . . . . . . 54 ASP H . 27387 1 313 . 1 1 55 55 ASP C C 13 174.96 . . . . . . . . 54 ASP C . 27387 1 314 . 1 1 55 55 ASP CA C 13 52.95 . . . . . . . . 54 ASP CA . 27387 1 315 . 1 1 55 55 ASP CB C 13 42.18 . . . . . . . . 54 ASP CB . 27387 1 316 . 1 1 55 55 ASP N N 15 125.48 . . . . . . . . 54 ASP N . 27387 1 317 . 1 1 56 56 ILE H H 1 9.155 . . . . . . . . 55 ILE H . 27387 1 318 . 1 1 56 56 ILE C C 13 174.99 . . . . . . . . 55 ILE C . 27387 1 319 . 1 1 56 56 ILE CA C 13 60.04 . . . . . . . . 55 ILE CA . 27387 1 320 . 1 1 56 56 ILE CB C 13 41.97 . . . . . . . . 55 ILE CB . 27387 1 321 . 1 1 56 56 ILE CG1 C 13 27.21 . . 1 . . . . . 55 ILE CG1 . 27387 1 322 . 1 1 56 56 ILE CG2 C 13 18.28 . . 1 . . . . . 55 ILE CG2 . 27387 1 323 . 1 1 56 56 ILE CD1 C 13 14.87 . . 1 . . . . . 55 ILE CD1 . 27387 1 324 . 1 1 56 56 ILE N N 15 123.87 . . . . . . . . 55 ILE N . 27387 1 325 . 1 1 57 57 LEU H H 1 8.622 . . . . . . . . 56 LEU H . 27387 1 326 . 1 1 57 57 LEU C C 13 173.74 . . . . . . . . 56 LEU C . 27387 1 327 . 1 1 57 57 LEU CA C 13 54.03 . . . . . . . . 56 LEU CA . 27387 1 328 . 1 1 57 57 LEU CB C 13 42.56 . . . . . . . . 56 LEU CB . 27387 1 329 . 1 1 57 57 LEU CG C 13 26.11 . . 1 . . . . . 56 LEU CG . 27387 1 330 . 1 1 57 57 LEU CD1 C 13 22.16 . . . . . . . . 56 LEU CD1 . 27387 1 331 . 1 1 57 57 LEU N N 15 127.53 . . . . . . . . 56 LEU N . 27387 1 332 . 1 1 58 58 ASP H H 1 8.439 . . . . . . . . 57 ASP H . 27387 1 333 . 1 1 58 58 ASP C C 13 175.44 . . . . . . . . 57 ASP C . 27387 1 334 . 1 1 58 58 ASP CA C 13 53.1 . . . . . . . . 57 ASP CA . 27387 1 335 . 1 1 58 58 ASP CB C 13 41.44 . . . . . . . . 57 ASP CB . 27387 1 336 . 1 1 58 58 ASP N N 15 129.39 . . . . . . . . 57 ASP N . 27387 1 337 . 1 1 59 59 THR H H 1 6.651 . . . . . . . . 58 THR H . 27387 1 338 . 1 1 59 59 THR C C 13 173.38 . . . . . . . . 58 THR C . 27387 1 339 . 1 1 59 59 THR CA C 13 61.64 . . . . . . . . 58 THR CA . 27387 1 340 . 1 1 59 59 THR CB C 13 72.08 . . . . . . . . 58 THR CB . 27387 1 341 . 1 1 59 59 THR CG2 C 13 22.03 . . 1 . . . . . 58 THR CG2 . 27387 1 342 . 1 1 59 59 THR N N 15 109.81 . . . . . . . . 58 THR N . 27387 1 343 . 1 1 60 60 ALA H H 1 9.032 . . . . . . . . 59 ALA H . 27387 1 344 . 1 1 60 60 ALA C C 13 177.93 . . . . . . . . 59 ALA C . 27387 1 345 . 1 1 60 60 ALA CA C 13 51.79 . . . . . . . . 59 ALA CA . 27387 1 346 . 1 1 60 60 ALA CB C 13 21.09 . . . . . . . . 59 ALA CB . 27387 1 347 . 1 1 60 60 ALA N N 15 121.12 . . . . . . . . 59 ALA N . 27387 1 348 . 1 1 61 61 GLY H H 1 8.385 . . . . . . . . 60 GLY H . 27387 1 349 . 1 1 61 61 GLY C C 13 175.08 . . . . . . . . 60 GLY C . 27387 1 350 . 1 1 61 61 GLY CA C 13 46.04 . . . . . . . . 60 GLY CA . 27387 1 351 . 1 1 61 61 GLY N N 15 107.97 . . . . . . . . 60 GLY N . 27387 1 352 . 1 1 62 62 GLN H H 1 8.545 . . . . . . . . 61 GLN H . 27387 1 353 . 1 1 62 62 GLN C C 13 176.41 . . . . . . . . 61 GLN C . 27387 1 354 . 1 1 62 62 GLN CA C 13 56.31 . . . . . . . . 61 GLN CA . 27387 1 355 . 1 1 62 62 GLN CB C 13 29.47 . . . . . . . . 61 GLN CB . 27387 1 356 . 1 1 62 62 GLN CG C 13 33.24 . . 1 . . . . . 61 GLN CG . 27387 1 357 . 1 1 62 62 GLN N N 15 119.19 . . . . . . . . 61 GLN N . 27387 1 358 . 1 1 63 63 GLU H H 1 8.655 . . . . . . . . 62 GLU H . 27387 1 359 . 1 1 63 63 GLU C C 13 176.77 . . . . . . . . 62 GLU C . 27387 1 360 . 1 1 63 63 GLU CA C 13 57.48 . . . . . . . . 62 GLU CA . 27387 1 361 . 1 1 63 63 GLU CB C 13 29.55 . . . . . . . . 62 GLU CB . 27387 1 362 . 1 1 63 63 GLU CG C 13 35.55 . . 1 . . . . . 62 GLU CG . 27387 1 363 . 1 1 63 63 GLU N N 15 120.69 . . . . . . . . 62 GLU N . 27387 1 364 . 1 1 64 64 GLU H H 1 8.264 . . . . . . . . 63 GLU H . 27387 1 365 . 1 1 64 64 GLU C C 13 175.92 . . . . . . . . 63 GLU C . 27387 1 366 . 1 1 64 64 GLU CA C 13 56.71 . . . . . . . . 63 GLU CA . 27387 1 367 . 1 1 64 64 GLU CB C 13 30.12 . . . . . . . . 63 GLU CB . 27387 1 368 . 1 1 64 64 GLU CG C 13 35.23 . . 1 . . . . . 63 GLU CG . 27387 1 369 . 1 1 64 64 GLU N N 15 120.26 . . . . . . . . 63 GLU N . 27387 1 370 . 1 1 65 65 TYR H H 1 8.214 . . . . . . . . 64 TYR H . 27387 1 371 . 1 1 65 65 TYR C C 13 175.66 . . . . . . . . 64 TYR C . 27387 1 372 . 1 1 65 65 TYR CA C 13 58.14 . . . . . . . . 64 TYR CA . 27387 1 373 . 1 1 65 65 TYR CB C 13 38.4 . . . . . . . . 64 TYR CB . 27387 1 374 . 1 1 65 65 TYR N N 15 120.91 . . . . . . . . 64 TYR N . 27387 1 375 . 1 1 66 66 SER H H 1 7.792 . . . . . . . . 65 SER H . 27387 1 376 . 1 1 66 66 SER C C 13 174.32 . . . . . . . . 65 SER C . 27387 1 377 . 1 1 66 66 SER CA C 13 56.8 . . . . . . . . 65 SER CA . 27387 1 378 . 1 1 66 66 SER CB C 13 64.17 . . . . . . . . 65 SER CB . 27387 1 379 . 1 1 66 66 SER N N 15 119.69 . . . . . . . . 65 SER N . 27387 1 380 . 1 1 67 67 ALA H H 1 8.732 . . . . . . . . 66 ALA H . 27387 1 381 . 1 1 67 67 ALA C C 13 180.19 . . . . . . . . 66 ALA C . 27387 1 382 . 1 1 67 67 ALA CA C 13 54.85 . . . . . . . . 66 ALA CA . 27387 1 383 . 1 1 67 67 ALA CB C 13 18.17 . . . . . . . . 66 ALA CB . 27387 1 384 . 1 1 67 67 ALA N N 15 129.15 . . . . . . . . 66 ALA N . 27387 1 385 . 1 1 68 68 MET H H 1 8.222 . . . . . . . . 67 MET H . 27387 1 386 . 1 1 68 68 MET C C 13 177.63 . . . . . . . . 67 MET C . 27387 1 387 . 1 1 68 68 MET CA C 13 57.83 . . . . . . . . 67 MET CA . 27387 1 388 . 1 1 68 68 MET CB C 13 32.58 . . . . . . . . 67 MET CB . 27387 1 389 . 1 1 68 68 MET CG C 13 31.26 . . 1 . . . . . 67 MET CG . 27387 1 390 . 1 1 68 68 MET N N 15 117.75 . . . . . . . . 67 MET N . 27387 1 391 . 1 1 69 69 ARG H H 1 7.815 . . . . . . . . 68 ARG H . 27387 1 392 . 1 1 69 69 ARG C C 13 178.04 . . . . . . . . 68 ARG C . 27387 1 393 . 1 1 69 69 ARG CA C 13 59.05 . . . . . . . . 68 ARG CA . 27387 1 394 . 1 1 69 69 ARG CB C 13 29.56 . . . . . . . . 68 ARG CB . 27387 1 395 . 1 1 69 69 ARG CG C 13 26.76 . . 1 . . . . . 68 ARG CG . 27387 1 396 . 1 1 69 69 ARG CD C 13 42.44 . . 1 . . . . . 68 ARG CD . 27387 1 397 . 1 1 69 69 ARG N N 15 120.87 . . . . . . . . 68 ARG N . 27387 1 398 . 1 1 70 70 ASP H H 1 8.072 . . . . . . . . 69 ASP H . 27387 1 399 . 1 1 70 70 ASP C C 13 178.12 . . . . . . . . 69 ASP C . 27387 1 400 . 1 1 70 70 ASP CA C 13 57.67 . . . . . . . . 69 ASP CA . 27387 1 401 . 1 1 70 70 ASP CB C 13 40.9 . . . . . . . . 69 ASP CB . 27387 1 402 . 1 1 70 70 ASP N N 15 118.7 . . . . . . . . 69 ASP N . 27387 1 403 . 1 1 71 71 GLN H H 1 7.772 . . . . . . . . 70 GLN H . 27387 1 404 . 1 1 71 71 GLN C C 13 179.45 . . . . . . . . 70 GLN C . 27387 1 405 . 1 1 71 71 GLN CA C 13 59.41 . . . . . . . . 70 GLN CA . 27387 1 406 . 1 1 71 71 GLN CB C 13 28.14 . . . . . . . . 70 GLN CB . 27387 1 407 . 1 1 71 71 GLN CG C 13 32.63 . . 1 . . . . . 70 GLN CG . 27387 1 408 . 1 1 71 71 GLN N N 15 117.55 . . . . . . . . 70 GLN N . 27387 1 409 . 1 1 72 72 TYR H H 1 8.165 . . . . . . . . 71 TYR H . 27387 1 410 . 1 1 72 72 TYR C C 13 178.6 . . . . . . . . 71 TYR C . 27387 1 411 . 1 1 72 72 TYR CA C 13 60.95 . . . . . . . . 71 TYR CA . 27387 1 412 . 1 1 72 72 TYR CB C 13 37.99 . . . . . . . . 71 TYR CB . 27387 1 413 . 1 1 72 72 TYR N N 15 119.75 . . . . . . . . 71 TYR N . 27387 1 414 . 1 1 73 73 MET H H 1 8.485 . . . . . . . . 72 MET H . 27387 1 415 . 1 1 73 73 MET C C 13 177.09 . . . . . . . . 72 MET C . 27387 1 416 . 1 1 73 73 MET CA C 13 58.4 . . . . . . . . 72 MET CA . 27387 1 417 . 1 1 73 73 MET CB C 13 31.62 . . . . . . . . 72 MET CB . 27387 1 418 . 1 1 73 73 MET CG C 13 32.74 . . 1 . . . . . 72 MET CG . 27387 1 419 . 1 1 73 73 MET N N 15 118.99 . . . . . . . . 72 MET N . 27387 1 420 . 1 1 74 74 ARG H H 1 7.9 . . . . . . . . 73 ARG H . 27387 1 421 . 1 1 74 74 ARG C C 13 179.03 . . . . . . . . 73 ARG C . 27387 1 422 . 1 1 74 74 ARG CA C 13 59.61 . . . . . . . . 73 ARG CA . 27387 1 423 . 1 1 74 74 ARG CB C 13 30.65 . . . . . . . . 73 ARG CB . 27387 1 424 . 1 1 74 74 ARG CG C 13 27.92 . . 1 . . . . . 73 ARG CG . 27387 1 425 . 1 1 74 74 ARG CD C 13 42.44 . . 1 . . . . . 73 ARG CD . 27387 1 426 . 1 1 74 74 ARG N N 15 115.81 . . . . . . . . 73 ARG N . 27387 1 427 . 1 1 75 75 THR H H 1 7.842 . . . . . . . . 74 THR H . 27387 1 428 . 1 1 75 75 THR C C 13 175.61 . . . . . . . . 74 THR C . 27387 1 429 . 1 1 75 75 THR CA C 13 62.41 . . . . . . . . 74 THR CA . 27387 1 430 . 1 1 75 75 THR CB C 13 70.01 . . . . . . . . 74 THR CB . 27387 1 431 . 1 1 75 75 THR CG2 C 13 20.98 . . 1 . . . . . 74 THR CG2 . 27387 1 432 . 1 1 75 75 THR N N 15 107.93 . . . . . . . . 74 THR N . 27387 1 433 . 1 1 76 76 GLY H H 1 7.916 . . . . . . . . 75 GLY H . 27387 1 434 . 1 1 76 76 GLY C C 13 172.78 . . . . . . . . 75 GLY C . 27387 1 435 . 1 1 76 76 GLY CA C 13 46.12 . . . . . . . . 75 GLY CA . 27387 1 436 . 1 1 76 76 GLY N N 15 111.16 . . . . . . . . 75 GLY N . 27387 1 437 . 1 1 77 77 GLU H H 1 8.848 . . . . . . . . 76 GLU H . 27387 1 438 . 1 1 77 77 GLU C C 13 176.53 . . . . . . . . 76 GLU C . 27387 1 439 . 1 1 77 77 GLU CA C 13 56.79 . . . . . . . . 76 GLU CA . 27387 1 440 . 1 1 77 77 GLU CB C 13 32.48 . . . . . . . . 76 GLU CB . 27387 1 441 . 1 1 77 77 GLU CG C 13 37.62 . . 1 . . . . . 76 GLU CG . 27387 1 442 . 1 1 77 77 GLU N N 15 121.88 . . . . . . . . 76 GLU N . 27387 1 443 . 1 1 78 78 GLY H H 1 7.11 . . . . . . . . 77 GLY H . 27387 1 444 . 1 1 78 78 GLY C C 13 170.63 . . . . . . . . 77 GLY C . 27387 1 445 . 1 1 78 78 GLY CA C 13 45.68 . . . . . . . . 77 GLY CA . 27387 1 446 . 1 1 78 78 GLY N N 15 132.9 . . . . . . . . 77 GLY N . 27387 1 447 . 1 1 79 79 PHE H H 1 8.108 . . . . . . . . 78 PHE H . 27387 1 448 . 1 1 79 79 PHE C C 13 173.65 . . . . . . . . 78 PHE C . 27387 1 449 . 1 1 79 79 PHE CA C 13 56.88 . . . . . . . . 78 PHE CA . 27387 1 450 . 1 1 79 79 PHE CB C 13 42.77 . . . . . . . . 78 PHE CB . 27387 1 451 . 1 1 79 79 PHE N N 15 121.32 . . . . . . . . 78 PHE N . 27387 1 452 . 1 1 80 80 LEU H H 1 9.149 . . . . . . . . 79 LEU H . 27387 1 453 . 1 1 80 80 LEU C C 13 174.8 . . . . . . . . 79 LEU C . 27387 1 454 . 1 1 80 80 LEU CA C 13 53.94 . . . . . . . . 79 LEU CA . 27387 1 455 . 1 1 80 80 LEU CB C 13 43.35 . . . . . . . . 79 LEU CB . 27387 1 456 . 1 1 80 80 LEU CG C 13 26.34 . . 1 . . . . . 79 LEU CG . 27387 1 457 . 1 1 80 80 LEU CD1 C 13 24.41 . . . . . . . . 79 LEU CD1 . 27387 1 458 . 1 1 80 80 LEU CD2 C 13 24.41 . . . . . . . . 79 LEU CD2 . 27387 1 459 . 1 1 80 80 LEU N N 15 126.7 . . . . . . . . 79 LEU N . 27387 1 460 . 1 1 81 81 CYS H H 1 8.675 . . . . . . . . 80 CYS H . 27387 1 461 . 1 1 81 81 CYS C C 13 172.8 . . . . . . . . 80 CYS C . 27387 1 462 . 1 1 81 81 CYS CA C 13 57.71 . . . . . . . . 80 CYS CA . 27387 1 463 . 1 1 81 81 CYS CB C 13 27.64 . . . . . . . . 80 CYS CB . 27387 1 464 . 1 1 81 81 CYS N N 15 124.64 . . . . . . . . 80 CYS N . 27387 1 465 . 1 1 82 82 VAL H H 1 8.909 . . . . . . . . 81 VAL H . 27387 1 466 . 1 1 82 82 VAL C C 13 175.01 . . . . . . . . 81 VAL C . 27387 1 467 . 1 1 82 82 VAL CA C 13 61.33 . . . . . . . . 81 VAL CA . 27387 1 468 . 1 1 82 82 VAL CB C 13 33.42 . . . . . . . . 81 VAL CB . 27387 1 469 . 1 1 82 82 VAL CG1 C 13 21.53 . . . . . . . . 81 VAL CG1 . 27387 1 470 . 1 1 82 82 VAL CG2 C 13 21.53 . . . . . . . . 81 VAL CG2 . 27387 1 471 . 1 1 82 82 VAL N N 15 126.15 . . . . . . . . 81 VAL N . 27387 1 472 . 1 1 83 83 PHE H H 1 9.231 . . . . . . . . 82 PHE H . 27387 1 473 . 1 1 83 83 PHE C C 13 171.25 . . . . . . . . 82 PHE C . 27387 1 474 . 1 1 83 83 PHE CA C 13 55.23 . . . . . . . . 82 PHE CA . 27387 1 475 . 1 1 83 83 PHE CB C 13 40.8 . . . . . . . . 82 PHE CB . 27387 1 476 . 1 1 83 83 PHE N N 15 123.66 . . . . . . . . 82 PHE N . 27387 1 477 . 1 1 84 84 ALA H H 1 8.723 . . . . . . . . 83 ALA H . 27387 1 478 . 1 1 84 84 ALA C C 13 179.3 . . . . . . . . 83 ALA C . 27387 1 479 . 1 1 84 84 ALA CA C 13 49.79 . . . . . . . . 83 ALA CA . 27387 1 480 . 1 1 84 84 ALA CB C 13 21.55 . . . . . . . . 83 ALA CB . 27387 1 481 . 1 1 84 84 ALA N N 15 121.55 . . . . . . . . 83 ALA N . 27387 1 482 . 1 1 85 85 ILE H H 1 8.425 . . . . . . . . 84 ILE H . 27387 1 483 . 1 1 85 85 ILE C C 13 174.1 . . . . . . . . 84 ILE C . 27387 1 484 . 1 1 85 85 ILE CA C 13 63.33 . . . . . . . . 84 ILE CA . 27387 1 485 . 1 1 85 85 ILE CB C 13 38.32 . . . . . . . . 84 ILE CB . 27387 1 486 . 1 1 85 85 ILE CG1 C 13 26.54 . . 1 . . . . . 84 ILE CG1 . 27387 1 487 . 1 1 85 85 ILE CG2 C 13 19.38 . . 1 . . . . . 84 ILE CG2 . 27387 1 488 . 1 1 85 85 ILE CD1 C 13 14.59 . . 1 . . . . . 84 ILE CD1 . 27387 1 489 . 1 1 85 85 ILE N N 15 113.64 . . . . . . . . 84 ILE N . 27387 1 490 . 1 1 86 86 ASN H H 1 7.831 . . . . . . . . 85 ASN H . 27387 1 491 . 1 1 86 86 ASN C C 13 174.68 . . . . . . . . 85 ASN C . 27387 1 492 . 1 1 86 86 ASN CA C 13 52.04 . . . . . . . . 85 ASN CA . 27387 1 493 . 1 1 86 86 ASN CB C 13 38 . . . . . . . . 85 ASN CB . 27387 1 494 . 1 1 86 86 ASN N N 15 117.03 . . . . . . . . 85 ASN N . 27387 1 495 . 1 1 87 87 ASN H H 1 7.822 . . . . . . . . 86 ASN H . 27387 1 496 . 1 1 87 87 ASN C C 13 174.97 . . . . . . . . 86 ASN C . 27387 1 497 . 1 1 87 87 ASN CA C 13 52.28 . . . . . . . . 86 ASN CA . 27387 1 498 . 1 1 87 87 ASN CB C 13 39.64 . . . . . . . . 86 ASN CB . 27387 1 499 . 1 1 87 87 ASN N N 15 119.35 . . . . . . . . 86 ASN N . 27387 1 500 . 1 1 88 88 THR H H 1 9.158 . . . . . . . . 87 THR H . 27387 1 501 . 1 1 88 88 THR C C 13 176.17 . . . . . . . . 87 THR C . 27387 1 502 . 1 1 88 88 THR CA C 13 66.81 . . . . . . . . 87 THR CA . 27387 1 503 . 1 1 88 88 THR CB C 13 68.39 . . . . . . . . 87 THR CB . 27387 1 504 . 1 1 88 88 THR CG2 C 13 21.90 . . 1 . . . . . 87 THR CG2 . 27387 1 505 . 1 1 88 88 THR N N 15 124.53 . . . . . . . . 87 THR N . 27387 1 506 . 1 1 89 89 LYS H H 1 8.387 . . . . . . . . 88 LYS H . 27387 1 507 . 1 1 89 89 LYS C C 13 178.12 . . . . . . . . 88 LYS C . 27387 1 508 . 1 1 89 89 LYS CA C 13 59.5 . . . . . . . . 88 LYS CA . 27387 1 509 . 1 1 89 89 LYS CB C 13 31.25 . . . . . . . . 88 LYS CB . 27387 1 510 . 1 1 89 89 LYS CG C 13 24.05 . . 1 . . . . . 88 LYS CG . 27387 1 511 . 1 1 89 89 LYS CD C 13 27.67 . . 1 . . . . . 88 LYS CD . 27387 1 512 . 1 1 89 89 LYS CE C 13 40.21 . . 1 . . . . . 88 LYS CE . 27387 1 513 . 1 1 89 89 LYS N N 15 124.16 . . . . . . . . 88 LYS N . 27387 1 514 . 1 1 90 90 SER H H 1 8.07 . . . . . . . . 89 SER H . 27387 1 515 . 1 1 90 90 SER C C 13 175.85 . . . . . . . . 89 SER C . 27387 1 516 . 1 1 90 90 SER CA C 13 61.75 . . . . . . . . 89 SER CA . 27387 1 517 . 1 1 90 90 SER CB C 13 63.7 . . . . . . . . 89 SER CB . 27387 1 518 . 1 1 90 90 SER N N 15 114.44 . . . . . . . . 89 SER N . 27387 1 519 . 1 1 91 91 PHE H H 1 7.365 . . . . . . . . 90 PHE H . 27387 1 520 . 1 1 91 91 PHE C C 13 177.33 . . . . . . . . 90 PHE C . 27387 1 521 . 1 1 91 91 PHE CA C 13 59.86 . . . . . . . . 90 PHE CA . 27387 1 522 . 1 1 91 91 PHE CB C 13 40.21 . . . . . . . . 90 PHE CB . 27387 1 523 . 1 1 91 91 PHE N N 15 124.71 . . . . . . . . 90 PHE N . 27387 1 524 . 1 1 92 92 GLU H H 1 8.41 . . . . . . . . 91 GLU H . 27387 1 525 . 1 1 92 92 GLU C C 13 179.58 . . . . . . . . 91 GLU C . 27387 1 526 . 1 1 92 92 GLU CA C 13 59.12 . . . . . . . . 91 GLU CA . 27387 1 527 . 1 1 92 92 GLU CB C 13 29.1 . . . . . . . . 91 GLU CB . 27387 1 528 . 1 1 92 92 GLU CG C 13 35.78 . . 1 . . . . . 91 GLU CG . 27387 1 529 . 1 1 92 92 GLU N N 15 121.86 . . . . . . . . 91 GLU N . 27387 1 530 . 1 1 93 93 ASP H H 1 8.379 . . . . . . . . 92 ASP H . 27387 1 531 . 1 1 93 93 ASP C C 13 177.73 . . . . . . . . 92 ASP C . 27387 1 532 . 1 1 93 93 ASP CA C 13 56.05 . . . . . . . . 92 ASP CA . 27387 1 533 . 1 1 93 93 ASP CB C 13 41.29 . . . . . . . . 92 ASP CB . 27387 1 534 . 1 1 93 93 ASP N N 15 116.87 . . . . . . . . 92 ASP N . 27387 1 535 . 1 1 94 94 ILE H H 1 7.569 . . . . . . . . 93 ILE H . 27387 1 536 . 1 1 94 94 ILE C C 13 177.55 . . . . . . . . 93 ILE C . 27387 1 537 . 1 1 94 94 ILE CA C 13 62.66 . . . . . . . . 93 ILE CA . 27387 1 538 . 1 1 94 94 ILE CB C 13 34.22 . . . . . . . . 93 ILE CB . 27387 1 539 . 1 1 94 94 ILE CG2 C 13 16.99 . . 1 . . . . . 93 ILE CG2 . 27387 1 540 . 1 1 94 94 ILE N N 15 120.74 . . . . . . . . 93 ILE N . 27387 1 541 . 1 1 95 95 HIS H H 1 7.815 . . . . . . . . 94 HIS H . 27387 1 542 . 1 1 95 95 HIS C C 13 177.14 . . . . . . . . 94 HIS C . 27387 1 543 . 1 1 95 95 HIS CA C 13 59.75 . . . . . . . . 94 HIS CA . 27387 1 544 . 1 1 95 95 HIS CB C 13 29.62 . . . . . . . . 94 HIS CB . 27387 1 545 . 1 1 95 95 HIS N N 15 116.56 . . . . . . . . 94 HIS N . 27387 1 546 . 1 1 96 96 HIS H H 1 7.233 . . . . . . . . 95 HIS H . 27387 1 547 . 1 1 96 96 HIS C C 13 178.15 . . . . . . . . 95 HIS C . 27387 1 548 . 1 1 96 96 HIS CA C 13 58.34 . . . . . . . . 95 HIS CA . 27387 1 549 . 1 1 96 96 HIS CB C 13 28.65 . . . . . . . . 95 HIS CB . 27387 1 550 . 1 1 96 96 HIS N N 15 117.22 . . . . . . . . 95 HIS N . 27387 1 551 . 1 1 97 97 TYR H H 1 7.549 . . . . . . . . 96 TYR H . 27387 1 552 . 1 1 97 97 TYR CA C 13 62.87 . . . . . . . . 96 TYR CA . 27387 1 553 . 1 1 97 97 TYR CB C 13 37.7 . . . . . . . . 96 TYR CB . 27387 1 554 . 1 1 97 97 TYR N N 15 118.82 . . . . . . . . 96 TYR N . 27387 1 555 . 1 1 98 98 ARG H H 1 8.374 . . . . . . . . 97 ARG H . 27387 1 556 . 1 1 98 98 ARG C C 13 177.17 . . . . . . . . 97 ARG C . 27387 1 557 . 1 1 98 98 ARG CA C 13 59.94 . . . . . . . . 97 ARG CA . 27387 1 558 . 1 1 98 98 ARG CB C 13 28.75 . . . . . . . . 97 ARG CB . 27387 1 559 . 1 1 98 98 ARG N N 15 118.59 . . . . . . . . 97 ARG N . 27387 1 560 . 1 1 99 99 GLU H H 1 7.815 . . . . . . . . 98 GLU H . 27387 1 561 . 1 1 99 99 GLU C C 13 178.9 . . . . . . . . 98 GLU C . 27387 1 562 . 1 1 99 99 GLU CA C 13 59.06 . . . . . . . . 98 GLU CA . 27387 1 563 . 1 1 99 99 GLU CB C 13 28.92 . . . . . . . . 98 GLU CB . 27387 1 564 . 1 1 99 99 GLU CG C 13 32.77 . . 1 . . . . . 98 GLU CG . 27387 1 565 . 1 1 99 99 GLU N N 15 117.55 . . . . . . . . 98 GLU N . 27387 1 566 . 1 1 100 100 GLN H H 1 7.724 . . . . . . . . 99 GLN H . 27387 1 567 . 1 1 100 100 GLN C C 13 177.9 . . . . . . . . 99 GLN C . 27387 1 568 . 1 1 100 100 GLN CA C 13 59.02 . . . . . . . . 99 GLN CA . 27387 1 569 . 1 1 100 100 GLN CB C 13 28.47 . . . . . . . . 99 GLN CB . 27387 1 570 . 1 1 100 100 GLN CG C 13 35.28 . . 1 . . . . . 99 GLN CG . 27387 1 571 . 1 1 100 100 GLN N N 15 119.81 . . . . . . . . 99 GLN N . 27387 1 572 . 1 1 101 101 ILE H H 1 7.717 . . . . . . . . 100 ILE H . 27387 1 573 . 1 1 101 101 ILE C C 13 177.2 . . . . . . . . 100 ILE C . 27387 1 574 . 1 1 101 101 ILE CA C 13 65.3 . . . . . . . . 100 ILE CA . 27387 1 575 . 1 1 101 101 ILE CB C 13 37.89 . . . . . . . . 100 ILE CB . 27387 1 576 . 1 1 101 101 ILE CG1 C 13 28.75 . . 1 . . . . . 100 ILE CG1 . 27387 1 577 . 1 1 101 101 ILE CG2 C 13 16.97 . . 1 . . . . . 100 ILE CG2 . 27387 1 578 . 1 1 101 101 ILE CD1 C 13 14.92 . . 1 . . . . . 100 ILE CD1 . 27387 1 579 . 1 1 101 101 ILE N N 15 119.36 . . . . . . . . 100 ILE N . 27387 1 580 . 1 1 102 102 LYS H H 1 7.77 . . . . . . . . 101 LYS H . 27387 1 581 . 1 1 102 102 LYS C C 13 179.33 . . . . . . . . 101 LYS C . 27387 1 582 . 1 1 102 102 LYS CA C 13 59.57 . . . . . . . . 101 LYS CA . 27387 1 583 . 1 1 102 102 LYS CB C 13 32.09 . . . . . . . . 101 LYS CB . 27387 1 584 . 1 1 102 102 LYS CG C 13 24.07 . . 1 . . . . . 101 LYS CG . 27387 1 585 . 1 1 102 102 LYS CD C 13 29.00 . . 1 . . . . . 101 LYS CD . 27387 1 586 . 1 1 102 102 LYS CE C 13 42.17 . . 1 . . . . . 101 LYS CE . 27387 1 587 . 1 1 102 102 LYS N N 15 117.55 . . . . . . . . 101 LYS N . 27387 1 588 . 1 1 103 103 ARG H H 1 7.67 . . . . . . . . 102 ARG H . 27387 1 589 . 1 1 103 103 ARG C C 13 179.41 . . . . . . . . 102 ARG C . 27387 1 590 . 1 1 103 103 ARG CA C 13 58.9 . . . . . . . . 102 ARG CA . 27387 1 591 . 1 1 103 103 ARG CB C 13 29.98 . . . . . . . . 102 ARG CB . 27387 1 592 . 1 1 103 103 ARG CG C 13 26.43 . . 1 . . . . . 102 ARG CG . 27387 1 593 . 1 1 103 103 ARG CD C 13 42.28 . . 1 . . . . . 102 ARG CD . 27387 1 594 . 1 1 103 103 ARG N N 15 117.57 . . . . . . . . 102 ARG N . 27387 1 595 . 1 1 104 104 VAL H H 1 7.928 . . . . . . . . 103 VAL H . 27387 1 596 . 1 1 104 104 VAL C C 13 177.69 . . . . . . . . 103 VAL C . 27387 1 597 . 1 1 104 104 VAL CA C 13 65.17 . . . . . . . . 103 VAL CA . 27387 1 598 . 1 1 104 104 VAL CB C 13 31.75 . . . . . . . . 103 VAL CB . 27387 1 599 . 1 1 104 104 VAL CG1 C 13 21.22 . . . . . . . . 103 VAL CG1 . 27387 1 600 . 1 1 104 104 VAL N N 15 117.99 . . . . . . . . 103 VAL N . 27387 1 601 . 1 1 105 105 LYS H H 1 7.93 . . . . . . . . 104 LYS H . 27387 1 602 . 1 1 105 105 LYS C C 13 176.09 . . . . . . . . 104 LYS C . 27387 1 603 . 1 1 105 105 LYS CA C 13 54.86 . . . . . . . . 104 LYS CA . 27387 1 604 . 1 1 105 105 LYS CB C 13 31.24 . . . . . . . . 104 LYS CB . 27387 1 605 . 1 1 105 105 LYS CG C 13 23.46 . . 1 . . . . . 104 LYS CG . 27387 1 606 . 1 1 105 105 LYS CD C 13 27.03 . . 1 . . . . . 104 LYS CD . 27387 1 607 . 1 1 105 105 LYS CE C 13 41.39 . . 1 . . . . . 104 LYS CE . 27387 1 608 . 1 1 105 105 LYS N N 15 116.57 . . . . . . . . 104 LYS N . 27387 1 609 . 1 1 106 106 ASP H H 1 7.927 . . . . . . . . 105 ASP H . 27387 1 610 . 1 1 106 106 ASP C C 13 174.72 . . . . . . . . 105 ASP C . 27387 1 611 . 1 1 106 106 ASP CA C 13 54.61 . . . . . . . . 105 ASP CA . 27387 1 612 . 1 1 106 106 ASP CB C 13 39.87 . . . . . . . . 105 ASP CB . 27387 1 613 . 1 1 106 106 ASP N N 15 120.68 . . . . . . . . 105 ASP N . 27387 1 614 . 1 1 107 107 SER H H 1 7.475 . . . . . . . . 106 SER H . 27387 1 615 . 1 1 107 107 SER C C 13 173.33 . . . . . . . . 106 SER C . 27387 1 616 . 1 1 107 107 SER CA C 13 57.18 . . . . . . . . 106 SER CA . 27387 1 617 . 1 1 107 107 SER CB C 13 65.08 . . . . . . . . 106 SER CB . 27387 1 618 . 1 1 107 107 SER N N 15 109.16 . . . . . . . . 106 SER N . 27387 1 619 . 1 1 108 108 GLU H H 1 8.331 . . . . . . . . 107 GLU H . 27387 1 620 . 1 1 108 108 GLU C C 13 176.18 . . . . . . . . 107 GLU C . 27387 1 621 . 1 1 108 108 GLU CA C 13 56.27 . . . . . . . . 107 GLU CA . 27387 1 622 . 1 1 108 108 GLU CB C 13 30.45 . . . . . . . . 107 GLU CB . 27387 1 623 . 1 1 108 108 GLU CG C 13 35.43 . . 1 . . . . . 107 GLU CG . 27387 1 624 . 1 1 108 108 GLU N N 15 121.17 . . . . . . . . 107 GLU N . 27387 1 625 . 1 1 109 109 ASP H H 1 8.38 . . . . . . . . 108 ASP H . 27387 1 626 . 1 1 109 109 ASP C C 13 174.32 . . . . . . . . 108 ASP C . 27387 1 627 . 1 1 109 109 ASP CA C 13 53.04 . . . . . . . . 108 ASP CA . 27387 1 628 . 1 1 109 109 ASP CB C 13 40.97 . . . . . . . . 108 ASP CB . 27387 1 629 . 1 1 109 109 ASP N N 15 121.29 . . . . . . . . 108 ASP N . 27387 1 630 . 1 1 110 110 VAL H H 1 7.507 . . . . . . . . 109 VAL H . 27387 1 631 . 1 1 110 110 VAL CA C 13 58.86 . . . . . . . . 109 VAL CA . 27387 1 632 . 1 1 110 110 VAL CB C 13 34.82 . . . . . . . . 109 VAL CB . 27387 1 633 . 1 1 110 110 VAL N N 15 122 . . . . . . . . 109 VAL N . 27387 1 634 . 1 1 111 111 PRO C C 13 175.86 . . . . . . . . 110 PRO C . 27387 1 635 . 1 1 111 111 PRO CA C 13 63.85 . . . . . . . . 110 PRO CA . 27387 1 636 . 1 1 111 111 PRO CB C 13 32.03 . . . . . . . . 110 PRO CB . 27387 1 637 . 1 1 111 111 PRO CG C 13 27.76 . . 1 . . . . . 110 PRO CG . 27387 1 638 . 1 1 111 111 PRO CD C 13 51.19 . . 1 . . . . . 110 PRO CD . 27387 1 639 . 1 1 112 112 MET H H 1 8.14 . . . . . . . . 111 MET H . 27387 1 640 . 1 1 112 112 MET C C 13 173.78 . . . . . . . . 111 MET C . 27387 1 641 . 1 1 112 112 MET CA C 13 55 . . . . . . . . 111 MET CA . 27387 1 642 . 1 1 112 112 MET CB C 13 38.02 . . . . . . . . 111 MET CB . 27387 1 643 . 1 1 112 112 MET CG C 13 31.91 . . 1 . . . . . 111 MET CG . 27387 1 644 . 1 1 112 112 MET N N 15 123.04 . . . . . . . . 111 MET N . 27387 1 645 . 1 1 113 113 VAL H H 1 7.941 . . . . . . . . 112 VAL H . 27387 1 646 . 1 1 113 113 VAL C C 13 173.31 . . . . . . . . 112 VAL C . 27387 1 647 . 1 1 113 113 VAL CA C 13 61.03 . . . . . . . . 112 VAL CA . 27387 1 648 . 1 1 113 113 VAL CB C 13 37.4 . . . . . . . . 112 VAL CB . 27387 1 649 . 1 1 113 113 VAL CG1 C 13 21.93 . . . . . . . . 112 VAL CG1 . 27387 1 650 . 1 1 113 113 VAL CG2 C 13 20.47 . . . . . . . . 112 VAL CG2 . 27387 1 651 . 1 1 113 113 VAL N N 15 117.93 . . . . . . . . 112 VAL N . 27387 1 652 . 1 1 114 114 LEU H H 1 8.879 . . . . . . . . 113 LEU H . 27387 1 653 . 1 1 114 114 LEU C C 13 173.67 . . . . . . . . 113 LEU C . 27387 1 654 . 1 1 114 114 LEU CA C 13 54.11 . . . . . . . . 113 LEU CA . 27387 1 655 . 1 1 114 114 LEU CB C 13 43.98 . . . . . . . . 113 LEU CB . 27387 1 656 . 1 1 114 114 LEU CG C 13 26.94 . . 1 . . . . . 113 LEU CG . 27387 1 657 . 1 1 114 114 LEU CD1 C 13 24.42 . . . . . . . . 113 LEU CD1 . 27387 1 658 . 1 1 114 114 LEU CD2 C 13 24.42 . . . . . . . . 113 LEU CD2 . 27387 1 659 . 1 1 114 114 LEU N N 15 128.83 . . . . . . . . 113 LEU N . 27387 1 660 . 1 1 115 115 VAL H H 1 9.15 . . . . . . . . 114 VAL H . 27387 1 661 . 1 1 115 115 VAL C C 13 173.88 . . . . . . . . 114 VAL C . 27387 1 662 . 1 1 115 115 VAL CA C 13 60.17 . . . . . . . . 114 VAL CA . 27387 1 663 . 1 1 115 115 VAL CB C 13 35.04 . . . . . . . . 114 VAL CB . 27387 1 664 . 1 1 115 115 VAL N N 15 128.14 . . . . . . . . 114 VAL N . 27387 1 665 . 1 1 116 116 GLY H H 1 8.156 . . . . . . . . 115 GLY H . 27387 1 666 . 1 1 116 116 GLY C C 13 171.12 . . . . . . . . 115 GLY C . 27387 1 667 . 1 1 116 116 GLY CA C 13 45.68 . . . . . . . . 115 GLY CA . 27387 1 668 . 1 1 116 116 GLY N N 15 113.47 . . . . . . . . 115 GLY N . 27387 1 669 . 1 1 117 117 ASN H H 1 8.75 . . . . . . . . 116 ASN H . 27387 1 670 . 1 1 117 117 ASN C C 13 174.7 . . . . . . . . 116 ASN C . 27387 1 671 . 1 1 117 117 ASN CA C 13 51.56 . . . . . . . . 116 ASN CA . 27387 1 672 . 1 1 117 117 ASN CB C 13 41.23 . . . . . . . . 116 ASN CB . 27387 1 673 . 1 1 117 117 ASN N N 15 121.46 . . . . . . . . 116 ASN N . 27387 1 674 . 1 1 118 118 LYS H H 1 7.271 . . . . . . . . 117 LYS H . 27387 1 675 . 1 1 118 118 LYS C C 13 177.36 . . . . . . . . 117 LYS C . 27387 1 676 . 1 1 118 118 LYS CA C 13 57.31 . . . . . . . . 117 LYS CA . 27387 1 677 . 1 1 118 118 LYS CB C 13 29.85 . . . . . . . . 117 LYS CB . 27387 1 678 . 1 1 118 118 LYS CG C 13 25.16 . . 1 . . . . . 117 LYS CG . 27387 1 679 . 1 1 118 118 LYS N N 15 112.24 . . . . . . . . 117 LYS N . 27387 1 680 . 1 1 119 119 CYS H H 1 8.622 . . . . . . . . 118 CYS H . 27387 1 681 . 1 1 119 119 CYS C C 13 173.32 . . . . . . . . 118 CYS C . 27387 1 682 . 1 1 119 119 CYS CA C 13 61.15 . . . . . . . . 118 CYS CA . 27387 1 683 . 1 1 119 119 CYS CB C 13 26.39 . . . . . . . . 118 CYS CB . 27387 1 684 . 1 1 119 119 CYS N N 15 114.16 . . . . . . . . 118 CYS N . 27387 1 685 . 1 1 120 120 ASP H H 1 8.541 . . . . . . . . 119 ASP H . 27387 1 686 . 1 1 120 120 ASP C C 13 175.67 . . . . . . . . 119 ASP C . 27387 1 687 . 1 1 120 120 ASP CA C 13 53.92 . . . . . . . . 119 ASP CA . 27387 1 688 . 1 1 120 120 ASP CB C 13 41.51 . . . . . . . . 119 ASP CB . 27387 1 689 . 1 1 120 120 ASP N N 15 116.93 . . . . . . . . 119 ASP N . 27387 1 690 . 1 1 121 121 LEU H H 1 7.741 . . . . . . . . 120 LEU H . 27387 1 691 . 1 1 121 121 LEU CA C 13 53.04 . . . . . . . . 120 LEU CA . 27387 1 692 . 1 1 121 121 LEU CB C 13 41.68 . . . . . . . . 120 LEU CB . 27387 1 693 . 1 1 121 121 LEU N N 15 121.57 . . . . . . . . 120 LEU N . 27387 1 694 . 1 1 122 122 PRO C C 13 177.03 . . . . . . . . 121 PRO C . 27387 1 695 . 1 1 122 122 PRO CA C 13 63.4 . . . . . . . . 121 PRO CA . 27387 1 696 . 1 1 122 122 PRO CB C 13 31.72 . . . . . . . . 121 PRO CB . 27387 1 697 . 1 1 122 122 PRO CG C 13 26.05 . . 1 . . . . . 121 PRO CG . 27387 1 698 . 1 1 122 122 PRO CD C 13 49.39 . . 1 . . . . . 121 PRO CD . 27387 1 699 . 1 1 123 123 SER H H 1 7.199 . . . . . . . . 122 SER H . 27387 1 700 . 1 1 123 123 SER C C 13 172.68 . . . . . . . . 122 SER C . 27387 1 701 . 1 1 123 123 SER CA C 13 56.41 . . . . . . . . 122 SER CA . 27387 1 702 . 1 1 123 123 SER CB C 13 62.58 . . . . . . . . 122 SER CB . 27387 1 703 . 1 1 123 123 SER N N 15 113.13 . . . . . . . . 122 SER N . 27387 1 704 . 1 1 124 124 ARG H H 1 7.811 . . . . . . . . 123 ARG H . 27387 1 705 . 1 1 124 124 ARG C C 13 175.20 . . . . . . . . 123 ARG C . 27387 1 706 . 1 1 124 124 ARG CA C 13 56.0 . . . . . . . . 123 ARG CA . 27387 1 707 . 1 1 124 124 ARG CB C 13 30.44 . . . . . . . . 123 ARG CB . 27387 1 708 . 1 1 124 124 ARG CG C 13 25.72 . . 1 . . . . . 123 ARG CG . 27387 1 709 . 1 1 124 124 ARG CD C 13 43.17 . . 1 . . . . . 123 ARG CD . 27387 1 710 . 1 1 124 124 ARG N N 15 120.18 . . . . . . . . 123 ARG N . 27387 1 711 . 1 1 125 125 THR H H 1 8.964 . . . . . . . . 124 THR H . 27387 1 712 . 1 1 125 125 THR C C 13 174.19 . . . . . . . . 124 THR C . 27387 1 713 . 1 1 125 125 THR CA C 13 61.5 . . . . . . . . 124 THR CA . 27387 1 714 . 1 1 125 125 THR CB C 13 68.24 . . . . . . . . 124 THR CB . 27387 1 715 . 1 1 125 125 THR CG2 C 13 21.67 . . 1 . . . . . 124 THR CG2 . 27387 1 716 . 1 1 125 125 THR N N 15 114.16 . . . . . . . . 124 THR N . 27387 1 717 . 1 1 126 126 VAL H H 1 7.494 . . . . . . . . 125 VAL H . 27387 1 718 . 1 1 126 126 VAL C C 13 175.21 . . . . . . . . 125 VAL C . 27387 1 719 . 1 1 126 126 VAL CA C 13 61.41 . . . . . . . . 125 VAL CA . 27387 1 720 . 1 1 126 126 VAL CB C 13 32.96 . . . . . . . . 125 VAL CB . 27387 1 721 . 1 1 126 126 VAL CG1 C 13 18.98 . . . . . . . . 125 VAL CG1 . 27387 1 722 . 1 1 126 126 VAL CG2 C 13 18.98 . . . . . . . . 125 VAL CG2 . 27387 1 723 . 1 1 126 126 VAL N N 15 124.2 . . . . . . . . 125 VAL N . 27387 1 724 . 1 1 127 127 ASP H H 1 8.522 . . . . . . . . 126 ASP H . 27387 1 725 . 1 1 127 127 ASP C C 13 176.62 . . . . . . . . 126 ASP C . 27387 1 726 . 1 1 127 127 ASP CA C 13 54.2 . . . . . . . . 126 ASP CA . 27387 1 727 . 1 1 127 127 ASP CB C 13 42.16 . . . . . . . . 126 ASP CB . 27387 1 728 . 1 1 127 127 ASP N N 15 128.38 . . . . . . . . 126 ASP N . 27387 1 729 . 1 1 128 128 THR H H 1 8.662 . . . . . . . . 127 THR H . 27387 1 730 . 1 1 128 128 THR C C 13 175.7 . . . . . . . . 127 THR C . 27387 1 731 . 1 1 128 128 THR CA C 13 67.28 . . . . . . . . 127 THR CA . 27387 1 732 . 1 1 128 128 THR CB C 13 69.06 . . . . . . . . 127 THR CB . 27387 1 733 . 1 1 128 128 THR CG2 C 13 21.39 . . 1 . . . . . 127 THR CG2 . 27387 1 734 . 1 1 128 128 THR N N 15 121.34 . . . . . . . . 127 THR N . 27387 1 735 . 1 1 129 129 LYS H H 1 8.316 . . . . . . . . 128 LYS H . 27387 1 736 . 1 1 129 129 LYS C C 13 178.34 . . . . . . . . 128 LYS C . 27387 1 737 . 1 1 129 129 LYS CA C 13 59.41 . . . . . . . . 128 LYS CA . 27387 1 738 . 1 1 129 129 LYS CB C 13 31.94 . . . . . . . . 128 LYS CB . 27387 1 739 . 1 1 129 129 LYS CG C 13 24.13 . . 1 . . . . . 128 LYS CG . 27387 1 740 . 1 1 129 129 LYS CD C 13 27.92 . . 1 . . . . . 128 LYS CD . 27387 1 741 . 1 1 129 129 LYS CE C 13 41.34 . . 1 . . . . . 128 LYS CE . 27387 1 742 . 1 1 129 129 LYS N N 15 120.39 . . . . . . . . 128 LYS N . 27387 1 743 . 1 1 130 130 GLN H H 1 7.285 . . . . . . . . 129 GLN H . 27387 1 744 . 1 1 130 130 GLN C C 13 179.39 . . . . . . . . 129 GLN C . 27387 1 745 . 1 1 130 130 GLN CA C 13 58.55 . . . . . . . . 129 GLN CA . 27387 1 746 . 1 1 130 130 GLN CB C 13 28.67 . . . . . . . . 129 GLN CB . 27387 1 747 . 1 1 130 130 GLN CG C 13 33.67 . . 1 . . . . . 129 GLN CG . 27387 1 748 . 1 1 130 130 GLN N N 15 117.51 . . . . . . . . 129 GLN N . 27387 1 749 . 1 1 131 131 ALA H H 1 7.035 . . . . . . . . 130 ALA H . 27387 1 750 . 1 1 131 131 ALA C C 13 178.08 . . . . . . . . 130 ALA C . 27387 1 751 . 1 1 131 131 ALA CA C 13 55.08 . . . . . . . . 130 ALA CA . 27387 1 752 . 1 1 131 131 ALA CB C 13 18.6 . . . . . . . . 130 ALA CB . 27387 1 753 . 1 1 131 131 ALA N N 15 122.44 . . . . . . . . 130 ALA N . 27387 1 754 . 1 1 132 132 GLN H H 1 8.368 . . . . . . . . 131 GLN H . 27387 1 755 . 1 1 132 132 GLN C C 13 179.51 . . . . . . . . 131 GLN C . 27387 1 756 . 1 1 132 132 GLN CA C 13 58.95 . . . . . . . . 131 GLN CA . 27387 1 757 . 1 1 132 132 GLN CB C 13 28.44 . . . . . . . . 131 GLN CB . 27387 1 758 . 1 1 132 132 GLN CG C 13 33.74 . . 1 . . . . . 131 GLN CG . 27387 1 759 . 1 1 132 132 GLN N N 15 117.8 . . . . . . . . 131 GLN N . 27387 1 760 . 1 1 133 133 ASP H H 1 8.458 . . . . . . . . 132 ASP H . 27387 1 761 . 1 1 133 133 ASP C C 13 178.96 . . . . . . . . 132 ASP C . 27387 1 762 . 1 1 133 133 ASP CA C 13 57.22 . . . . . . . . 132 ASP CA . 27387 1 763 . 1 1 133 133 ASP CB C 13 39.72 . . . . . . . . 132 ASP CB . 27387 1 764 . 1 1 133 133 ASP N N 15 120.39 . . . . . . . . 132 ASP N . 27387 1 765 . 1 1 134 134 LEU H H 1 7.461 . . . . . . . . 133 LEU H . 27387 1 766 . 1 1 134 134 LEU C C 13 179.01 . . . . . . . . 133 LEU C . 27387 1 767 . 1 1 134 134 LEU CA C 13 57.76 . . . . . . . . 133 LEU CA . 27387 1 768 . 1 1 134 134 LEU CB C 13 41.66 . . . . . . . . 133 LEU CB . 27387 1 769 . 1 1 134 134 LEU CG C 13 25.58 . . 1 . . . . . 133 LEU CG . 27387 1 770 . 1 1 134 134 LEU CD1 C 13 22.05 . . . . . . . . 133 LEU CD1 . 27387 1 771 . 1 1 134 134 LEU N N 15 123.54 . . . . . . . . 133 LEU N . 27387 1 772 . 1 1 135 135 ALA H H 1 8.184 . . . . . . . . 134 ALA H . 27387 1 773 . 1 1 135 135 ALA C C 13 179.9 . . . . . . . . 134 ALA C . 27387 1 774 . 1 1 135 135 ALA CA C 13 55.87 . . . . . . . . 134 ALA CA . 27387 1 775 . 1 1 135 135 ALA CB C 13 18.22 . . . . . . . . 134 ALA CB . 27387 1 776 . 1 1 135 135 ALA N N 15 121.6 . . . . . . . . 134 ALA N . 27387 1 777 . 1 1 136 136 ARG H H 1 8.419 . . . . . . . . 135 ARG H . 27387 1 778 . 1 1 136 136 ARG C C 13 180.05 . . . . . . . . 135 ARG C . 27387 1 779 . 1 1 136 136 ARG CA C 13 59.39 . . . . . . . . 135 ARG CA . 27387 1 780 . 1 1 136 136 ARG CB C 13 29.67 . . . . . . . . 135 ARG CB . 27387 1 781 . 1 1 136 136 ARG CG C 13 26.13 . . 1 . . . . . 135 ARG CG . 27387 1 782 . 1 1 136 136 ARG CD C 13 42.16 . . 1 . . . . . 135 ARG CD . 27387 1 783 . 1 1 136 136 ARG N N 15 118.26 . . . . . . . . 135 ARG N . 27387 1 784 . 1 1 137 137 SER H H 1 7.876 . . . . . . . . 136 SER H . 27387 1 785 . 1 1 137 137 SER C C 13 176.16 . . . . . . . . 136 SER C . 27387 1 786 . 1 1 137 137 SER CA C 13 61.48 . . . . . . . . 136 SER CA . 27387 1 787 . 1 1 137 137 SER CB C 13 62.57 . . . . . . . . 136 SER CB . 27387 1 788 . 1 1 137 137 SER N N 15 117.62 . . . . . . . . 136 SER N . 27387 1 789 . 1 1 138 138 TYR H H 1 7.508 . . . . . . . . 137 TYR H . 27387 1 790 . 1 1 138 138 TYR C C 13 176.24 . . . . . . . . 137 TYR C . 27387 1 791 . 1 1 138 138 TYR CA C 13 54.76 . . . . . . . . 137 TYR CA . 27387 1 792 . 1 1 138 138 TYR CB C 13 38.76 . . . . . . . . 137 TYR CB . 27387 1 793 . 1 1 138 138 TYR N N 15 119.78 . . . . . . . . 137 TYR N . 27387 1 794 . 1 1 139 139 GLY H H 1 8.219 . . . . . . . . 138 GLY H . 27387 1 795 . 1 1 139 139 GLY C C 13 175.22 . . . . . . . . 138 GLY C . 27387 1 796 . 1 1 139 139 GLY CA C 13 46.44 . . . . . . . . 138 GLY CA . 27387 1 797 . 1 1 139 139 GLY N N 15 110.98 . . . . . . . . 138 GLY N . 27387 1 798 . 1 1 140 140 ILE H H 1 7.972 . . . . . . . . 139 ILE H . 27387 1 799 . 1 1 140 140 ILE CA C 13 58.44 . . . . . . . . 139 ILE CA . 27387 1 800 . 1 1 140 140 ILE CB C 13 38.51 . . . . . . . . 139 ILE CB . 27387 1 801 . 1 1 140 140 ILE N N 15 112.97 . . . . . . . . 139 ILE N . 27387 1 802 . 1 1 141 141 PRO C C 13 174.66 . . . . . . . . 140 PRO C . 27387 1 803 . 1 1 141 141 PRO CA C 13 62.32 . . . . . . . . 140 PRO CA . 27387 1 804 . 1 1 141 141 PRO CB C 13 32.99 . . . . . . . . 140 PRO CB . 27387 1 805 . 1 1 141 141 PRO CG C 13 27.44 . . 1 . . . . . 140 PRO CG . 27387 1 806 . 1 1 141 141 PRO CD C 13 49.54 . . 1 . . . . . 140 PRO CD . 27387 1 807 . 1 1 142 142 PHE H H 1 8.224 . . . . . . . . 141 PHE H . 27387 1 808 . 1 1 142 142 PHE C C 13 173.77 . . . . . . . . 141 PHE C . 27387 1 809 . 1 1 142 142 PHE CA C 13 54.71 . . . . . . . . 141 PHE CA . 27387 1 810 . 1 1 142 142 PHE CB C 13 42.26 . . . . . . . . 141 PHE CB . 27387 1 811 . 1 1 142 142 PHE N N 15 120.11 . . . . . . . . 141 PHE N . 27387 1 812 . 1 1 143 143 ILE H H 1 8.338 . . . . . . . . 142 ILE H . 27387 1 813 . 1 1 143 143 ILE C C 13 172.79 . . . . . . . . 142 ILE C . 27387 1 814 . 1 1 143 143 ILE CA C 13 59.23 . . . . . . . . 142 ILE CA . 27387 1 815 . 1 1 143 143 ILE CB C 13 42.44 . . . . . . . . 142 ILE CB . 27387 1 816 . 1 1 143 143 ILE CG1 C 13 27.56 . . 1 . . . . . 142 ILE CG1 . 27387 1 817 . 1 1 143 143 ILE CG2 C 13 16.34 . . 1 . . . . . 142 ILE CG2 . 27387 1 818 . 1 1 143 143 ILE CD1 C 13 12.96 . . 1 . . . . . 142 ILE CD1 . 27387 1 819 . 1 1 143 143 ILE N N 15 129.9 . . . . . . . . 142 ILE N . 27387 1 820 . 1 1 144 144 GLU H H 1 7.725 . . . . . . . . 143 GLU H . 27387 1 821 . 1 1 144 144 GLU C C 13 176.22 . . . . . . . . 143 GLU C . 27387 1 822 . 1 1 144 144 GLU CA C 13 55.36 . . . . . . . . 143 GLU CA . 27387 1 823 . 1 1 144 144 GLU CB C 13 30.78 . . . . . . . . 143 GLU CB . 27387 1 824 . 1 1 144 144 GLU CG C 13 38.23 . . 1 . . . . . 143 GLU CG . 27387 1 825 . 1 1 144 144 GLU N N 15 125.1 . . . . . . . . 143 GLU N . 27387 1 826 . 1 1 145 145 THR H H 1 8.704 . . . . . . . . 144 THR H . 27387 1 827 . 1 1 145 145 THR C C 13 176.27 . . . . . . . . 144 THR C . 27387 1 828 . 1 1 145 145 THR CA C 13 59.66 . . . . . . . . 144 THR CA . 27387 1 829 . 1 1 145 145 THR CB C 13 73.85 . . . . . . . . 144 THR CB . 27387 1 830 . 1 1 145 145 THR CG2 C 13 21.38 . . 1 . . . . . 144 THR CG2 . 27387 1 831 . 1 1 145 145 THR N N 15 112.01 . . . . . . . . 144 THR N . 27387 1 832 . 1 1 146 146 SER H H 1 8.733 . . . . . . . . 145 SER H . 27387 1 833 . 1 1 146 146 SER C C 13 175.69 . . . . . . . . 145 SER C . 27387 1 834 . 1 1 146 146 SER CA C 13 57.39 . . . . . . . . 145 SER CA . 27387 1 835 . 1 1 146 146 SER CB C 13 64.68 . . . . . . . . 145 SER CB . 27387 1 836 . 1 1 146 146 SER N N 15 112.52 . . . . . . . . 145 SER N . 27387 1 837 . 1 1 147 147 ALA H H 1 9.094 . . . . . . . . 146 ALA H . 27387 1 838 . 1 1 147 147 ALA C C 13 175.85 . . . . . . . . 146 ALA C . 27387 1 839 . 1 1 147 147 ALA CA C 13 54.61 . . . . . . . . 146 ALA CA . 27387 1 840 . 1 1 147 147 ALA CB C 13 18.47 . . . . . . . . 146 ALA CB . 27387 1 841 . 1 1 147 147 ALA N N 15 132.41 . . . . . . . . 146 ALA N . 27387 1 842 . 1 1 148 148 LYS H H 1 6.949 . . . . . . . . 147 LYS H . 27387 1 843 . 1 1 148 148 LYS C C 13 177.04 . . . . . . . . 147 LYS C . 27387 1 844 . 1 1 148 148 LYS CA C 13 58.33 . . . . . . . . 147 LYS CA . 27387 1 845 . 1 1 148 148 LYS CB C 13 33.76 . . . . . . . . 147 LYS CB . 27387 1 846 . 1 1 148 148 LYS CG C 13 24.03 . . 1 . . . . . 147 LYS CG . 27387 1 847 . 1 1 148 148 LYS CD C 13 28.81 . . 1 . . . . . 147 LYS CD . 27387 1 848 . 1 1 148 148 LYS N N 15 116.24 . . . . . . . . 147 LYS N . 27387 1 849 . 1 1 149 149 THR H H 1 7.631 . . . . . . . . 148 THR H . 27387 1 850 . 1 1 149 149 THR C C 13 175.85 . . . . . . . . 148 THR C . 27387 1 851 . 1 1 149 149 THR CA C 13 61.35 . . . . . . . . 148 THR CA . 27387 1 852 . 1 1 149 149 THR CB C 13 69.67 . . . . . . . . 148 THR CB . 27387 1 853 . 1 1 149 149 THR CG2 C 13 20.43 . . 1 . . . . . 148 THR CG2 . 27387 1 854 . 1 1 149 149 THR N N 15 106.45 . . . . . . . . 148 THR N . 27387 1 855 . 1 1 150 150 ARG H H 1 7.737 . . . . . . . . 149 ARG H . 27387 1 856 . 1 1 150 150 ARG C C 13 175.81 . . . . . . . . 149 ARG C . 27387 1 857 . 1 1 150 150 ARG CA C 13 58.96 . . . . . . . . 149 ARG CA . 27387 1 858 . 1 1 150 150 ARG CB C 13 30.64 . . . . . . . . 149 ARG CB . 27387 1 859 . 1 1 150 150 ARG CG C 13 32.00 . . 1 . . . . . 149 ARG CG . 27387 1 860 . 1 1 150 150 ARG CD C 13 42.35 . . 1 . . . . . 149 ARG CD . 27387 1 861 . 1 1 150 150 ARG N N 15 119.75 . . . . . . . . 149 ARG N . 27387 1 862 . 1 1 151 151 GLN H H 1 7.738 . . . . . . . . 150 GLN H . 27387 1 863 . 1 1 151 151 GLN C C 13 177.08 . . . . . . . . 150 GLN C . 27387 1 864 . 1 1 151 151 GLN CA C 13 57.27 . . . . . . . . 150 GLN CA . 27387 1 865 . 1 1 151 151 GLN CB C 13 28.48 . . . . . . . . 150 GLN CB . 27387 1 866 . 1 1 151 151 GLN CG C 13 31.95 . . 1 . . . . . 150 GLN CG . 27387 1 867 . 1 1 151 151 GLN N N 15 124.27 . . . . . . . . 150 GLN N . 27387 1 868 . 1 1 152 152 GLY H H 1 8.852 . . . . . . . . 151 GLY H . 27387 1 869 . 1 1 152 152 GLY C C 13 173.5 . . . . . . . . 151 GLY C . 27387 1 870 . 1 1 152 152 GLY CA C 13 46.87 . . . . . . . . 151 GLY CA . 27387 1 871 . 1 1 152 152 GLY N N 15 115.37 . . . . . . . . 151 GLY N . 27387 1 872 . 1 1 153 153 VAL H H 1 6.956 . . . . . . . . 152 VAL H . 27387 1 873 . 1 1 153 153 VAL C C 13 176.63 . . . . . . . . 152 VAL C . 27387 1 874 . 1 1 153 153 VAL CA C 13 68.23 . . . . . . . . 152 VAL CA . 27387 1 875 . 1 1 153 153 VAL CB C 13 31.6 . . . . . . . . 152 VAL CB . 27387 1 876 . 1 1 153 153 VAL N N 15 120.55 . . . . . . . . 152 VAL N . 27387 1 877 . 1 1 154 154 ASP H H 1 7.871 . . . . . . . . 153 ASP H . 27387 1 878 . 1 1 154 154 ASP C C 13 177.24 . . . . . . . . 153 ASP C . 27387 1 879 . 1 1 154 154 ASP CA C 13 57.43 . . . . . . . . 153 ASP CA . 27387 1 880 . 1 1 154 154 ASP CB C 13 39.25 . . . . . . . . 153 ASP CB . 27387 1 881 . 1 1 154 154 ASP N N 15 117.1 . . . . . . . . 153 ASP N . 27387 1 882 . 1 1 155 155 ASP H H 1 7.967 . . . . . . . . 154 ASP H . 27387 1 883 . 1 1 155 155 ASP C C 13 179.41 . . . . . . . . 154 ASP C . 27387 1 884 . 1 1 155 155 ASP CA C 13 57.1 . . . . . . . . 154 ASP CA . 27387 1 885 . 1 1 155 155 ASP CB C 13 40.07 . . . . . . . . 154 ASP CB . 27387 1 886 . 1 1 155 155 ASP N N 15 116.29 . . . . . . . . 154 ASP N . 27387 1 887 . 1 1 156 156 ALA H H 1 8.545 . . . . . . . . 155 ALA H . 27387 1 888 . 1 1 156 156 ALA C C 13 177.84 . . . . . . . . 155 ALA C . 27387 1 889 . 1 1 156 156 ALA CA C 13 56.3 . . . . . . . . 155 ALA CA . 27387 1 890 . 1 1 156 156 ALA CB C 13 17.24 . . . . . . . . 155 ALA CB . 27387 1 891 . 1 1 156 156 ALA N N 15 124.83 . . . . . . . . 155 ALA N . 27387 1 892 . 1 1 157 157 PHE H H 1 7.141 . . . . . . . . 156 PHE H . 27387 1 893 . 1 1 157 157 PHE C C 13 178.14 . . . . . . . . 156 PHE C . 27387 1 894 . 1 1 157 157 PHE CA C 13 62.94 . . . . . . . . 156 PHE CA . 27387 1 895 . 1 1 157 157 PHE CB C 13 39.36 . . . . . . . . 156 PHE CB . 27387 1 896 . 1 1 157 157 PHE N N 15 112.85 . . . . . . . . 156 PHE N . 27387 1 897 . 1 1 158 158 TYR H H 1 9.52 . . . . . . . . 157 TYR H . 27387 1 898 . 1 1 158 158 TYR C C 13 179.05 . . . . . . . . 157 TYR C . 27387 1 899 . 1 1 158 158 TYR CA C 13 58.65 . . . . . . . . 157 TYR CA . 27387 1 900 . 1 1 158 158 TYR CB C 13 35.36 . . . . . . . . 157 TYR CB . 27387 1 901 . 1 1 158 158 TYR N N 15 119.56 . . . . . . . . 157 TYR N . 27387 1 902 . 1 1 159 159 THR H H 1 8.535 . . . . . . . . 158 THR H . 27387 1 903 . 1 1 159 159 THR C C 13 175.72 . . . . . . . . 158 THR C . 27387 1 904 . 1 1 159 159 THR CA C 13 67.56 . . . . . . . . 158 THR CA . 27387 1 905 . 1 1 159 159 THR CG2 C 13 20.51 . . 1 . . . . . 158 THR CG2 . 27387 1 906 . 1 1 159 159 THR N N 15 116.51 . . . . . . . . 158 THR N . 27387 1 907 . 1 1 160 160 LEU H H 1 7.195 . . . . . . . . 159 LEU H . 27387 1 908 . 1 1 160 160 LEU C C 13 177.66 . . . . . . . . 159 LEU C . 27387 1 909 . 1 1 160 160 LEU CA C 13 57.99 . . . . . . . . 159 LEU CA . 27387 1 910 . 1 1 160 160 LEU CB C 13 40.29 . . . . . . . . 159 LEU CB . 27387 1 911 . 1 1 160 160 LEU CD1 C 13 26.1 . . . . . . . . 159 LEU CD1 . 27387 1 912 . 1 1 160 160 LEU CD2 C 13 26.1 . . . . . . . . 159 LEU CD2 . 27387 1 913 . 1 1 160 160 LEU N N 15 121.84 . . . . . . . . 159 LEU N . 27387 1 914 . 1 1 161 161 VAL H H 1 7.591 . . . . . . . . 160 VAL H . 27387 1 915 . 1 1 161 161 VAL C C 13 177.59 . . . . . . . . 160 VAL C . 27387 1 916 . 1 1 161 161 VAL CA C 13 67.58 . . . . . . . . 160 VAL CA . 27387 1 917 . 1 1 161 161 VAL CB C 13 30.8 . . . . . . . . 160 VAL CB . 27387 1 918 . 1 1 161 161 VAL CG1 C 13 22.86 . . . . . . . . 160 VAL CG1 . 27387 1 919 . 1 1 161 161 VAL CG2 C 13 19.06 . . . . . . . . 160 VAL CG2 . 27387 1 920 . 1 1 161 161 VAL N N 15 119.55 . . . . . . . . 160 VAL N . 27387 1 921 . 1 1 162 162 ARG H H 1 8.135 . . . . . . . . 161 ARG H . 27387 1 922 . 1 1 162 162 ARG C C 13 179.71 . . . . . . . . 161 ARG C . 27387 1 923 . 1 1 162 162 ARG CA C 13 60.86 . . . . . . . . 161 ARG CA . 27387 1 924 . 1 1 162 162 ARG CB C 13 29.44 . . . . . . . . 161 ARG CB . 27387 1 925 . 1 1 162 162 ARG CG C 13 28.52 . . 1 . . . . . 161 ARG CG . 27387 1 926 . 1 1 162 162 ARG CD C 13 42.84 . . 1 . . . . . 161 ARG CD . 27387 1 927 . 1 1 162 162 ARG N N 15 119.07 . . . . . . . . 161 ARG N . 27387 1 928 . 1 1 163 163 GLU H H 1 8.235 . . . . . . . . 162 GLU H . 27387 1 929 . 1 1 163 163 GLU C C 13 179.68 . . . . . . . . 162 GLU C . 27387 1 930 . 1 1 163 163 GLU CA C 13 58.98 . . . . . . . . 162 GLU CA . 27387 1 931 . 1 1 163 163 GLU CB C 13 30.14 . . . . . . . . 162 GLU CB . 27387 1 932 . 1 1 163 163 GLU CG C 13 36.10 . . 1 . . . . . 162 GLU CG . 27387 1 933 . 1 1 163 163 GLU N N 15 119.52 . . . . . . . . 162 GLU N . 27387 1 934 . 1 1 164 164 ILE H H 1 8.285 . . . . . . . . 163 ILE H . 27387 1 935 . 1 1 164 164 ILE C C 13 178.7 . . . . . . . . 163 ILE C . 27387 1 936 . 1 1 164 164 ILE CA C 13 66.28 . . . . . . . . 163 ILE CA . 27387 1 937 . 1 1 164 164 ILE CB C 13 37.92 . . . . . . . . 163 ILE CB . 27387 1 938 . 1 1 164 164 ILE CG2 C 13 17.34 . . 1 . . . . . 163 ILE CG2 . 27387 1 939 . 1 1 164 164 ILE N N 15 123.22 . . . . . . . . 163 ILE N . 27387 1 940 . 1 1 165 165 ARG H H 1 8.521 . . . . . . . . 164 ARG H . 27387 1 941 . 1 1 165 165 ARG C C 13 178.98 . . . . . . . . 164 ARG C . 27387 1 942 . 1 1 165 165 ARG CA C 13 60.16 . . . . . . . . 164 ARG CA . 27387 1 943 . 1 1 165 165 ARG CB C 13 30.58 . . . . . . . . 164 ARG CB . 27387 1 944 . 1 1 165 165 ARG N N 15 119.46 . . . . . . . . 164 ARG N . 27387 1 945 . 1 1 166 166 LYS H H 1 7.746 . . . . . . . . 165 LYS H . 27387 1 946 . 1 1 166 166 LYS C C 13 178.39 . . . . . . . . 165 LYS C . 27387 1 947 . 1 1 166 166 LYS CA C 13 58.84 . . . . . . . . 165 LYS CA . 27387 1 948 . 1 1 166 166 LYS CB C 13 32.61 . . . . . . . . 165 LYS CB . 27387 1 949 . 1 1 166 166 LYS CG C 13 24.04 . . 1 . . . . . 165 LYS CG . 27387 1 950 . 1 1 166 166 LYS CD C 13 26.05 . . 1 . . . . . 165 LYS CD . 27387 1 951 . 1 1 166 166 LYS CE C 13 42.09 . . 1 . . . . . 165 LYS CE . 27387 1 952 . 1 1 166 166 LYS N N 15 117.17 . . . . . . . . 165 LYS N . 27387 1 953 . 1 1 167 167 HIS H H 1 7.748 . . . . . . . . 166 HIS H . 27387 1 954 . 1 1 167 167 HIS C C 13 175.94 . . . . . . . . 166 HIS C . 27387 1 955 . 1 1 167 167 HIS CA C 13 57.82 . . . . . . . . 166 HIS CA . 27387 1 956 . 1 1 167 167 HIS CB C 13 29.31 . . . . . . . . 166 HIS CB . 27387 1 957 . 1 1 167 167 HIS N N 15 117.08 . . . . . . . . 166 HIS N . 27387 1 958 . 1 1 168 168 LYS H H 1 7.904 . . . . . . . . 167 LYS H . 27387 1 959 . 1 1 168 168 LYS C C 13 175.62 . . . . . . . . 167 LYS C . 27387 1 960 . 1 1 168 168 LYS CA C 13 57.34 . . . . . . . . 167 LYS CA . 27387 1 961 . 1 1 168 168 LYS CB C 13 33.24 . . . . . . . . 167 LYS CB . 27387 1 962 . 1 1 168 168 LYS CG C 13 24.52 . . 1 . . . . . 167 LYS CG . 27387 1 963 . 1 1 168 168 LYS CD C 13 28.78 . . 1 . . . . . 167 LYS CD . 27387 1 964 . 1 1 168 168 LYS CE C 13 41.15 . . 1 . . . . . 167 LYS CE . 27387 1 965 . 1 1 168 168 LYS N N 15 119.44 . . . . . . . . 167 LYS N . 27387 1 966 . 1 1 169 169 GLU H H 1 7.843 . . . . . . . . 168 GLU H . 27387 1 967 . 1 1 169 169 GLU C C 13 175.59 . . . . . . . . 168 GLU C . 27387 1 968 . 1 1 169 169 GLU CA C 13 56.67 . . . . . . . . 168 GLU CA . 27387 1 969 . 1 1 169 169 GLU CB C 13 30.02 . . . . . . . . 168 GLU CB . 27387 1 970 . 1 1 169 169 GLU N N 15 120.12 . . . . . . . . 168 GLU N . 27387 1 971 . 1 1 170 170 LYS H H 1 7.59 . . . . . . . . 169 LYS H . 27387 1 972 . 1 1 170 170 LYS CA C 13 57.96 . . . . . . . . 169 LYS CA . 27387 1 973 . 1 1 170 170 LYS CB C 13 33.47 . . . . . . . . 169 LYS CB . 27387 1 974 . 1 1 170 170 LYS N N 15 126.56 . . . . . . . . 169 LYS N . 27387 1 stop_ save_