data_51943 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51943 _Entry.Title ; Solution State NMR Chemical Shift Assignments for Yeast Peroxiredoxin Tsa1 mutated S78D - Backbone 1H, 13C, and 15N and ILV methyl groups ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-04-26 _Entry.Accession_date 2023-04-26 _Entry.Last_release_date 2023-04-26 _Entry.Original_release_date 2023-04-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Laura Troussicot . . . 0000-0001-8297-8886 51943 2 Alicia Vallet . . . 0009-0007-9312-3796 51943 3 Mikael Molin . . . 0000-0002-3903-8503 51943 4 Bjorn Burmann . M. . 0000-0002-3135-7964 51943 5 Paul Schanda . . . 0000-0002-9350-7606 51943 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51943 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 578 51943 '15N chemical shifts' 147 51943 '1H chemical shifts' 429 51943 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-05-25 . original BMRB . 51943 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51943 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37140345 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Disulfide-Bond-Induced Structural Frustration and Dynamic Disorder in a Peroxiredoxin from MAS NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 145 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-5126 _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 10700 _Citation.Page_last 10711 _Citation.Year 2023 _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 Laura Troussicot . . . . 51943 1 2 Alicia Vallet . . . . 51943 1 3 Mikael Molin . . . . 51943 1 4 Bjorn Burmann . M. . . 51943 1 5 Paul Schanda . . . . 51943 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51943 _Assembly.ID 1 _Assembly.Name 'Dimeric Tsa1-S78D' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 43168 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Tsa1-S78D 1 $entity_1 . . yes native no no . . . 51943 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 171 171 SG . . . 47 CYS SG . . . 170 CYS SG 51943 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51943 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVAQVQKQAPTFKKTAVVDG VFDEVSLDKYKGKYVVLAFI PLAFTFVCPTEIIAFSEAAK KFEEQGAQVLFASTDSEYDL LAWTNIPRKEGGLGPINIPL LADTNHSLSRDYGVLIEEEG VALRGLFIIDPKGVIRHITI NDLPVGRNVDEALRLVEAFQ WTDKNGTVLPCNWTPGAATI KPTVEDSKEYFEAANK ; _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 196 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 MET . 51943 1 2 1 VAL . 51943 1 3 2 ALA . 51943 1 4 3 GLN . 51943 1 5 4 VAL . 51943 1 6 5 GLN . 51943 1 7 6 LYS . 51943 1 8 7 GLN . 51943 1 9 8 ALA . 51943 1 10 9 PRO . 51943 1 11 10 THR . 51943 1 12 11 PHE . 51943 1 13 12 LYS . 51943 1 14 13 LYS . 51943 1 15 14 THR . 51943 1 16 15 ALA . 51943 1 17 16 VAL . 51943 1 18 17 VAL . 51943 1 19 18 ASP . 51943 1 20 19 GLY . 51943 1 21 20 VAL . 51943 1 22 21 PHE . 51943 1 23 22 ASP . 51943 1 24 23 GLU . 51943 1 25 24 VAL . 51943 1 26 25 SER . 51943 1 27 26 LEU . 51943 1 28 27 ASP . 51943 1 29 28 LYS . 51943 1 30 29 TYR . 51943 1 31 30 LYS . 51943 1 32 31 GLY . 51943 1 33 32 LYS . 51943 1 34 33 TYR . 51943 1 35 34 VAL . 51943 1 36 35 VAL . 51943 1 37 36 LEU . 51943 1 38 37 ALA . 51943 1 39 38 PHE . 51943 1 40 39 ILE . 51943 1 41 40 PRO . 51943 1 42 41 LEU . 51943 1 43 42 ALA . 51943 1 44 43 PHE . 51943 1 45 44 THR . 51943 1 46 45 PHE . 51943 1 47 46 VAL . 51943 1 48 47 CYS . 51943 1 49 48 PRO . 51943 1 50 49 THR . 51943 1 51 50 GLU . 51943 1 52 51 ILE . 51943 1 53 52 ILE . 51943 1 54 53 ALA . 51943 1 55 54 PHE . 51943 1 56 55 SER . 51943 1 57 56 GLU . 51943 1 58 57 ALA . 51943 1 59 58 ALA . 51943 1 60 59 LYS . 51943 1 61 60 LYS . 51943 1 62 61 PHE . 51943 1 63 62 GLU . 51943 1 64 63 GLU . 51943 1 65 64 GLN . 51943 1 66 65 GLY . 51943 1 67 66 ALA . 51943 1 68 67 GLN . 51943 1 69 68 VAL . 51943 1 70 69 LEU . 51943 1 71 70 PHE . 51943 1 72 71 ALA . 51943 1 73 72 SER . 51943 1 74 73 THR . 51943 1 75 74 ASP . 51943 1 76 75 SER . 51943 1 77 76 GLU . 51943 1 78 77 TYR . 51943 1 79 78 ASP . 51943 1 80 79 LEU . 51943 1 81 80 LEU . 51943 1 82 81 ALA . 51943 1 83 82 TRP . 51943 1 84 83 THR . 51943 1 85 84 ASN . 51943 1 86 85 ILE . 51943 1 87 86 PRO . 51943 1 88 87 ARG . 51943 1 89 88 LYS . 51943 1 90 89 GLU . 51943 1 91 90 GLY . 51943 1 92 91 GLY . 51943 1 93 92 LEU . 51943 1 94 93 GLY . 51943 1 95 94 PRO . 51943 1 96 95 ILE . 51943 1 97 96 ASN . 51943 1 98 97 ILE . 51943 1 99 98 PRO . 51943 1 100 99 LEU . 51943 1 101 100 LEU . 51943 1 102 101 ALA . 51943 1 103 102 ASP . 51943 1 104 103 THR . 51943 1 105 104 ASN . 51943 1 106 105 HIS . 51943 1 107 106 SER . 51943 1 108 107 LEU . 51943 1 109 108 SER . 51943 1 110 109 ARG . 51943 1 111 110 ASP . 51943 1 112 111 TYR . 51943 1 113 112 GLY . 51943 1 114 113 VAL . 51943 1 115 114 LEU . 51943 1 116 115 ILE . 51943 1 117 116 GLU . 51943 1 118 117 GLU . 51943 1 119 118 GLU . 51943 1 120 119 GLY . 51943 1 121 120 VAL . 51943 1 122 121 ALA . 51943 1 123 122 LEU . 51943 1 124 123 ARG . 51943 1 125 124 GLY . 51943 1 126 125 LEU . 51943 1 127 126 PHE . 51943 1 128 127 ILE . 51943 1 129 128 ILE . 51943 1 130 129 ASP . 51943 1 131 130 PRO . 51943 1 132 131 LYS . 51943 1 133 132 GLY . 51943 1 134 133 VAL . 51943 1 135 134 ILE . 51943 1 136 135 ARG . 51943 1 137 136 HIS . 51943 1 138 137 ILE . 51943 1 139 138 THR . 51943 1 140 139 ILE . 51943 1 141 140 ASN . 51943 1 142 141 ASP . 51943 1 143 142 LEU . 51943 1 144 143 PRO . 51943 1 145 144 VAL . 51943 1 146 145 GLY . 51943 1 147 146 ARG . 51943 1 148 147 ASN . 51943 1 149 148 VAL . 51943 1 150 149 ASP . 51943 1 151 150 GLU . 51943 1 152 151 ALA . 51943 1 153 152 LEU . 51943 1 154 153 ARG . 51943 1 155 154 LEU . 51943 1 156 155 VAL . 51943 1 157 156 GLU . 51943 1 158 157 ALA . 51943 1 159 158 PHE . 51943 1 160 159 GLN . 51943 1 161 160 TRP . 51943 1 162 161 THR . 51943 1 163 162 ASP . 51943 1 164 163 LYS . 51943 1 165 164 ASN . 51943 1 166 165 GLY . 51943 1 167 166 THR . 51943 1 168 167 VAL . 51943 1 169 168 LEU . 51943 1 170 169 PRO . 51943 1 171 170 CYS . 51943 1 172 171 ASN . 51943 1 173 172 TRP . 51943 1 174 173 THR . 51943 1 175 174 PRO . 51943 1 176 175 GLY . 51943 1 177 176 ALA . 51943 1 178 177 ALA . 51943 1 179 178 THR . 51943 1 180 179 ILE . 51943 1 181 180 LYS . 51943 1 182 181 PRO . 51943 1 183 182 THR . 51943 1 184 183 VAL . 51943 1 185 184 GLU . 51943 1 186 185 ASP . 51943 1 187 186 SER . 51943 1 188 187 LYS . 51943 1 189 188 GLU . 51943 1 190 189 TYR . 51943 1 191 190 PHE . 51943 1 192 191 GLU . 51943 1 193 192 ALA . 51943 1 194 193 ALA . 51943 1 195 194 ASN . 51943 1 196 195 LYS . 51943 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51943 1 . VAL 2 2 51943 1 . ALA 3 3 51943 1 . GLN 4 4 51943 1 . VAL 5 5 51943 1 . GLN 6 6 51943 1 . LYS 7 7 51943 1 . GLN 8 8 51943 1 . ALA 9 9 51943 1 . PRO 10 10 51943 1 . THR 11 11 51943 1 . PHE 12 12 51943 1 . LYS 13 13 51943 1 . LYS 14 14 51943 1 . THR 15 15 51943 1 . ALA 16 16 51943 1 . VAL 17 17 51943 1 . VAL 18 18 51943 1 . ASP 19 19 51943 1 . GLY 20 20 51943 1 . VAL 21 21 51943 1 . PHE 22 22 51943 1 . ASP 23 23 51943 1 . GLU 24 24 51943 1 . VAL 25 25 51943 1 . SER 26 26 51943 1 . LEU 27 27 51943 1 . ASP 28 28 51943 1 . LYS 29 29 51943 1 . TYR 30 30 51943 1 . LYS 31 31 51943 1 . GLY 32 32 51943 1 . LYS 33 33 51943 1 . TYR 34 34 51943 1 . VAL 35 35 51943 1 . VAL 36 36 51943 1 . LEU 37 37 51943 1 . ALA 38 38 51943 1 . PHE 39 39 51943 1 . ILE 40 40 51943 1 . PRO 41 41 51943 1 . LEU 42 42 51943 1 . ALA 43 43 51943 1 . PHE 44 44 51943 1 . THR 45 45 51943 1 . PHE 46 46 51943 1 . VAL 47 47 51943 1 . CYS 48 48 51943 1 . PRO 49 49 51943 1 . THR 50 50 51943 1 . GLU 51 51 51943 1 . ILE 52 52 51943 1 . ILE 53 53 51943 1 . ALA 54 54 51943 1 . PHE 55 55 51943 1 . SER 56 56 51943 1 . GLU 57 57 51943 1 . ALA 58 58 51943 1 . ALA 59 59 51943 1 . LYS 60 60 51943 1 . LYS 61 61 51943 1 . PHE 62 62 51943 1 . GLU 63 63 51943 1 . GLU 64 64 51943 1 . GLN 65 65 51943 1 . GLY 66 66 51943 1 . ALA 67 67 51943 1 . GLN 68 68 51943 1 . VAL 69 69 51943 1 . LEU 70 70 51943 1 . PHE 71 71 51943 1 . ALA 72 72 51943 1 . SER 73 73 51943 1 . THR 74 74 51943 1 . ASP 75 75 51943 1 . SER 76 76 51943 1 . GLU 77 77 51943 1 . TYR 78 78 51943 1 . ASP 79 79 51943 1 . LEU 80 80 51943 1 . LEU 81 81 51943 1 . ALA 82 82 51943 1 . TRP 83 83 51943 1 . THR 84 84 51943 1 . ASN 85 85 51943 1 . ILE 86 86 51943 1 . PRO 87 87 51943 1 . ARG 88 88 51943 1 . LYS 89 89 51943 1 . GLU 90 90 51943 1 . GLY 91 91 51943 1 . GLY 92 92 51943 1 . LEU 93 93 51943 1 . GLY 94 94 51943 1 . PRO 95 95 51943 1 . ILE 96 96 51943 1 . ASN 97 97 51943 1 . ILE 98 98 51943 1 . PRO 99 99 51943 1 . LEU 100 100 51943 1 . LEU 101 101 51943 1 . ALA 102 102 51943 1 . ASP 103 103 51943 1 . THR 104 104 51943 1 . ASN 105 105 51943 1 . HIS 106 106 51943 1 . SER 107 107 51943 1 . LEU 108 108 51943 1 . SER 109 109 51943 1 . ARG 110 110 51943 1 . ASP 111 111 51943 1 . TYR 112 112 51943 1 . GLY 113 113 51943 1 . VAL 114 114 51943 1 . LEU 115 115 51943 1 . ILE 116 116 51943 1 . GLU 117 117 51943 1 . GLU 118 118 51943 1 . GLU 119 119 51943 1 . GLY 120 120 51943 1 . VAL 121 121 51943 1 . ALA 122 122 51943 1 . LEU 123 123 51943 1 . ARG 124 124 51943 1 . GLY 125 125 51943 1 . LEU 126 126 51943 1 . PHE 127 127 51943 1 . ILE 128 128 51943 1 . ILE 129 129 51943 1 . ASP 130 130 51943 1 . PRO 131 131 51943 1 . LYS 132 132 51943 1 . GLY 133 133 51943 1 . VAL 134 134 51943 1 . ILE 135 135 51943 1 . ARG 136 136 51943 1 . HIS 137 137 51943 1 . ILE 138 138 51943 1 . THR 139 139 51943 1 . ILE 140 140 51943 1 . ASN 141 141 51943 1 . ASP 142 142 51943 1 . LEU 143 143 51943 1 . PRO 144 144 51943 1 . VAL 145 145 51943 1 . GLY 146 146 51943 1 . ARG 147 147 51943 1 . ASN 148 148 51943 1 . VAL 149 149 51943 1 . ASP 150 150 51943 1 . GLU 151 151 51943 1 . ALA 152 152 51943 1 . LEU 153 153 51943 1 . ARG 154 154 51943 1 . LEU 155 155 51943 1 . VAL 156 156 51943 1 . GLU 157 157 51943 1 . ALA 158 158 51943 1 . PHE 159 159 51943 1 . GLN 160 160 51943 1 . TRP 161 161 51943 1 . THR 162 162 51943 1 . ASP 163 163 51943 1 . LYS 164 164 51943 1 . ASN 165 165 51943 1 . GLY 166 166 51943 1 . THR 167 167 51943 1 . VAL 168 168 51943 1 . LEU 169 169 51943 1 . PRO 170 170 51943 1 . CYS 171 171 51943 1 . ASN 172 172 51943 1 . TRP 173 173 51943 1 . THR 174 174 51943 1 . PRO 175 175 51943 1 . GLY 176 176 51943 1 . ALA 177 177 51943 1 . ALA 178 178 51943 1 . THR 179 179 51943 1 . ILE 180 180 51943 1 . LYS 181 181 51943 1 . PRO 182 182 51943 1 . THR 183 183 51943 1 . VAL 184 184 51943 1 . GLU 185 185 51943 1 . ASP 186 186 51943 1 . SER 187 187 51943 1 . LYS 188 188 51943 1 . GLU 189 189 51943 1 . TYR 190 190 51943 1 . PHE 191 191 51943 1 . GLU 192 192 51943 1 . ALA 193 193 51943 1 . ALA 194 194 51943 1 . ASN 195 195 51943 1 . LYS 196 196 51943 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51943 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 51943 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51943 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET19b-Tsa1 . . . 51943 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51943 _Sample.ID 1 _Sample.Name 'Native mutant Tsa1-S78D' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tsa1-S78D '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.625 0.5 0.75 mM . . . . 51943 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51943 _Sample.ID 2 _Sample.Name 'Native Mutant Tsa1-S78D-ILV' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tsa1-S78D-ILV '[U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val]' . . 1 $entity_1 . . 0.55 0.5 0.6 mM . . . . 51943 2 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 51943 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Native Conditions' _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' 0.05 . M 51943 1 pH 7.4 . pH 51943 1 pressure 1 . atm 51943 1 temperature 310 . K 51943 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51943 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51943 1 'data analysis' . 51943 1 'peak picking' . 51943 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51943 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51943 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51943 _Software.ID 3 _Software.Type . _Software.Name MddNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51943 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51943 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker_700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51943 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Bruker_800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51943 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51943 1 2 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51943 1 3 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51943 1 4 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51943 1 5 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51943 1 6 '3D HN(CO)CACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51943 1 7 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51943 1 8 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51943 1 9 '3D HBHA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51943 1 10 '3D HCCH-TOCSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51943 1 11 '2D 1H-13C HMQC' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51943 1 12 '3D 1H-13C NOESY' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51943 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51943 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water 'methyl carbons' . . . . ppm 4.7 na indirect 0.251449530 . . . . . 51943 1 H 1 water 'methyl protons' . . . . ppm 4.7 internal direct 1.000000000 . . . . . 51943 1 N 15 water nitrogen . . . . ppm 4.7 na indirect 0.101329118 . . . . . 51943 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51943 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assignment Tsa1-S78D : Backbone and ILV methyls' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51943 1 2 '3D HNCO' . . . 51943 1 3 '3D HNCA' . . . 51943 1 4 '3D HNCACB' . . . 51943 1 5 '3D HN(CA)CO' . . . 51943 1 6 '3D HN(CO)CACB' . . . 51943 1 7 '3D HN(CO)CA' . . . 51943 1 8 '3D CBCA(CO)NH' . . . 51943 1 9 '3D HBHA(CO)NH' . . . 51943 1 10 '3D HCCH-TOCSY' . . . 51943 1 11 '2D 1H-13C HMQC' . . . 51943 1 12 '3D 1H-13C NOESY' . . . 51943 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51943 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 175.016 0.3 . 1 . . . . . 0 MET C . 51943 1 2 . 1 . 1 1 1 MET CA C 13 54.858 0.3 . 1 . . . . . 0 MET CA . 51943 1 3 . 1 . 1 1 1 MET CB C 13 32.592 0.3 . 1 . . . . . 0 MET CB . 51943 1 4 . 1 . 1 2 2 VAL H H 1 7.781 0.020 . 1 . . . . . 1 VAL H . 51943 1 5 . 1 . 1 2 2 VAL HG11 H 1 0.203 0.020 . 2 . . . . . 1 VAL HG1 . 51943 1 6 . 1 . 1 2 2 VAL HG12 H 1 0.203 0.020 . 2 . . . . . 1 VAL HG1 . 51943 1 7 . 1 . 1 2 2 VAL HG13 H 1 0.203 0.020 . 2 . . . . . 1 VAL HG1 . 51943 1 8 . 1 . 1 2 2 VAL HG21 H 1 0.643 0.020 . 2 . . . . . 1 VAL HG2 . 51943 1 9 . 1 . 1 2 2 VAL HG22 H 1 0.643 0.020 . 2 . . . . . 1 VAL HG2 . 51943 1 10 . 1 . 1 2 2 VAL HG23 H 1 0.643 0.020 . 2 . . . . . 1 VAL HG2 . 51943 1 11 . 1 . 1 2 2 VAL C C 13 175.525 0.3 . 1 . . . . . 1 VAL C . 51943 1 12 . 1 . 1 2 2 VAL CA C 13 59.978 0.3 . 1 . . . . . 1 VAL CA . 51943 1 13 . 1 . 1 2 2 VAL CB C 13 32.937 0.3 . 1 . . . . . 1 VAL CB . 51943 1 14 . 1 . 1 2 2 VAL CG1 C 13 18.023 0.3 . 1 . . . . . 1 VAL CG1 . 51943 1 15 . 1 . 1 2 2 VAL CG2 C 13 20.844 0.3 . 1 . . . . . 1 VAL CG2 . 51943 1 16 . 1 . 1 2 2 VAL N N 15 119.294 0.3 . 1 . . . . . 1 VAL N . 51943 1 17 . 1 . 1 3 3 ALA H H 1 7.555 0.020 . 1 . . . . . 2 ALA H . 51943 1 18 . 1 . 1 3 3 ALA HB1 H 1 1.406 0.020 . 1 . . . . . 2 ALA HB . 51943 1 19 . 1 . 1 3 3 ALA HB2 H 1 1.406 0.020 . 1 . . . . . 2 ALA HB . 51943 1 20 . 1 . 1 3 3 ALA HB3 H 1 1.406 0.020 . 1 . . . . . 2 ALA HB . 51943 1 21 . 1 . 1 3 3 ALA C C 13 175.784 0.3 . 1 . . . . . 2 ALA C . 51943 1 22 . 1 . 1 3 3 ALA CA C 13 51.662 0.3 . 1 . . . . . 2 ALA CA . 51943 1 23 . 1 . 1 3 3 ALA CB C 13 18.556 0.3 . 1 . . . . . 2 ALA CB . 51943 1 24 . 1 . 1 3 3 ALA N N 15 125.414 0.3 . 1 . . . . . 2 ALA N . 51943 1 25 . 1 . 1 4 4 GLN H H 1 8.218 0.020 . 1 . . . . . 3 GLN H . 51943 1 26 . 1 . 1 4 4 GLN C C 13 174.561 0.3 . 1 . . . . . 3 GLN C . 51943 1 27 . 1 . 1 4 4 GLN CA C 13 53.875 0.3 . 1 . . . . . 3 GLN CA . 51943 1 28 . 1 . 1 4 4 GLN CB C 13 32.646 0.3 . 1 . . . . . 3 GLN CB . 51943 1 29 . 1 . 1 4 4 GLN N N 15 122.093 0.3 . 1 . . . . . 3 GLN N . 51943 1 30 . 1 . 1 5 5 VAL H H 1 8.761 0.020 . 1 . . . . . 4 VAL H . 51943 1 31 . 1 . 1 5 5 VAL HA H 1 3.627 0.020 . 1 . . . . . 4 VAL HA . 51943 1 32 . 1 . 1 5 5 VAL HB H 1 2.288 0.020 . 1 . . . . . 4 VAL HB . 51943 1 33 . 1 . 1 5 5 VAL HG11 H 1 0.876 0.020 . 2 . . . . . 4 VAL HG1 . 51943 1 34 . 1 . 1 5 5 VAL HG12 H 1 0.876 0.020 . 2 . . . . . 4 VAL HG1 . 51943 1 35 . 1 . 1 5 5 VAL HG13 H 1 0.876 0.020 . 2 . . . . . 4 VAL HG1 . 51943 1 36 . 1 . 1 5 5 VAL HG21 H 1 0.921 0.020 . 2 . . . . . 4 VAL HG2 . 51943 1 37 . 1 . 1 5 5 VAL HG22 H 1 0.921 0.020 . 2 . . . . . 4 VAL HG2 . 51943 1 38 . 1 . 1 5 5 VAL HG23 H 1 0.921 0.020 . 2 . . . . . 4 VAL HG2 . 51943 1 39 . 1 . 1 5 5 VAL C C 13 175.266 0.3 . 1 . . . . . 4 VAL C . 51943 1 40 . 1 . 1 5 5 VAL CA C 13 63.889 0.3 . 1 . . . . . 4 VAL CA . 51943 1 41 . 1 . 1 5 5 VAL CB C 13 29.719 0.3 . 1 . . . . . 4 VAL CB . 51943 1 42 . 1 . 1 5 5 VAL CG1 C 13 18.454 0.3 . 1 . . . . . 4 VAL CG1 . 51943 1 43 . 1 . 1 5 5 VAL CG2 C 13 20.978 0.3 . 1 . . . . . 4 VAL CG2 . 51943 1 44 . 1 . 1 5 5 VAL N N 15 123.914 0.3 . 1 . . . . . 4 VAL N . 51943 1 45 . 1 . 1 6 6 GLN H H 1 9.176 0.020 . 1 . . . . . 5 GLN H . 51943 1 46 . 1 . 1 6 6 GLN C C 13 174.648 0.3 . 1 . . . . . 5 GLN C . 51943 1 47 . 1 . 1 6 6 GLN CA C 13 57.941 0.3 . 1 . . . . . 5 GLN CA . 51943 1 48 . 1 . 1 6 6 GLN CB C 13 24.739 0.3 . 1 . . . . . 5 GLN CB . 51943 1 49 . 1 . 1 6 6 GLN N N 15 116.002 0.3 . 1 . . . . . 5 GLN N . 51943 1 50 . 1 . 1 7 7 LYS H H 1 7.745 0.020 . 1 . . . . . 6 LYS H . 51943 1 51 . 1 . 1 7 7 LYS C C 13 176.331 0.3 . 1 . . . . . 6 LYS C . 51943 1 52 . 1 . 1 7 7 LYS CA C 13 53.217 0.3 . 1 . . . . . 6 LYS CA . 51943 1 53 . 1 . 1 7 7 LYS CB C 13 33.905 0.3 . 1 . . . . . 6 LYS CB . 51943 1 54 . 1 . 1 7 7 LYS N N 15 118.070 0.3 . 1 . . . . . 6 LYS N . 51943 1 55 . 1 . 1 8 8 GLN H H 1 8.419 0.020 . 1 . . . . . 7 GLN H . 51943 1 56 . 1 . 1 8 8 GLN C C 13 176.906 0.3 . 1 . . . . . 7 GLN C . 51943 1 57 . 1 . 1 8 8 GLN CA C 13 55.876 0.3 . 1 . . . . . 7 GLN CA . 51943 1 58 . 1 . 1 8 8 GLN CB C 13 27.858 0.3 . 1 . . . . . 7 GLN CB . 51943 1 59 . 1 . 1 8 8 GLN N N 15 120.751 0.3 . 1 . . . . . 7 GLN N . 51943 1 60 . 1 . 1 9 9 ALA H H 1 9.283 0.020 . 1 . . . . . 8 ALA H . 51943 1 61 . 1 . 1 9 9 ALA HB1 H 1 1.530 0.020 . 1 . . . . . 8 ALA HB . 51943 1 62 . 1 . 1 9 9 ALA HB2 H 1 1.530 0.020 . 1 . . . . . 8 ALA HB . 51943 1 63 . 1 . 1 9 9 ALA HB3 H 1 1.530 0.020 . 1 . . . . . 8 ALA HB . 51943 1 64 . 1 . 1 9 9 ALA C C 13 175.770 0.3 . 1 . . . . . 8 ALA C . 51943 1 65 . 1 . 1 9 9 ALA CA C 13 49.995 0.3 . 1 . . . . . 8 ALA CA . 51943 1 66 . 1 . 1 9 9 ALA CB C 13 17.257 0.3 . 1 . . . . . 8 ALA CB . 51943 1 67 . 1 . 1 9 9 ALA N N 15 131.197 0.3 . 1 . . . . . 8 ALA N . 51943 1 68 . 1 . 1 10 10 PRO C C 13 176.837 0.3 . 1 . . . . . 9 PRO C . 51943 1 69 . 1 . 1 10 10 PRO CA C 13 62.807 0.3 . 1 . . . . . 9 PRO CA . 51943 1 70 . 1 . 1 10 10 PRO CB C 13 30.383 0.3 . 1 . . . . . 9 PRO CB . 51943 1 71 . 1 . 1 11 11 THR H H 1 7.984 0.020 . 1 . . . . . 10 THR H . 51943 1 72 . 1 . 1 11 11 THR C C 13 173.860 0.3 . 1 . . . . . 10 THR C . 51943 1 73 . 1 . 1 11 11 THR CA C 13 61.392 0.3 . 1 . . . . . 10 THR CA . 51943 1 74 . 1 . 1 11 11 THR CB C 13 69.063 0.3 . 1 . . . . . 10 THR CB . 51943 1 75 . 1 . 1 11 11 THR N N 15 117.045 0.3 . 1 . . . . . 10 THR N . 51943 1 76 . 1 . 1 12 12 PHE H H 1 7.068 0.020 . 1 . . . . . 11 PHE H . 51943 1 77 . 1 . 1 12 12 PHE C C 13 173.657 0.3 . 1 . . . . . 11 PHE C . 51943 1 78 . 1 . 1 12 12 PHE CA C 13 55.556 0.3 . 1 . . . . . 11 PHE CA . 51943 1 79 . 1 . 1 12 12 PHE CB C 13 41.340 0.3 . 1 . . . . . 11 PHE CB . 51943 1 80 . 1 . 1 12 12 PHE N N 15 113.959 0.3 . 1 . . . . . 11 PHE N . 51943 1 81 . 1 . 1 13 13 LYS H H 1 8.515 0.020 . 1 . . . . . 12 LYS H . 51943 1 82 . 1 . 1 13 13 LYS C C 13 175.745 0.3 . 1 . . . . . 12 LYS C . 51943 1 83 . 1 . 1 13 13 LYS CA C 13 56.499 0.3 . 1 . . . . . 12 LYS CA . 51943 1 84 . 1 . 1 13 13 LYS CB C 13 32.949 0.3 . 1 . . . . . 12 LYS CB . 51943 1 85 . 1 . 1 13 13 LYS N N 15 121.756 0.3 . 1 . . . . . 12 LYS N . 51943 1 86 . 1 . 1 14 14 LYS H H 1 8.856 0.020 . 1 . . . . . 13 LYS H . 51943 1 87 . 1 . 1 14 14 LYS C C 13 175.241 0.3 . 1 . . . . . 13 LYS C . 51943 1 88 . 1 . 1 14 14 LYS CA C 13 52.137 0.3 . 1 . . . . . 13 LYS CA . 51943 1 89 . 1 . 1 14 14 LYS CB C 13 36.695 0.3 . 1 . . . . . 13 LYS CB . 51943 1 90 . 1 . 1 14 14 LYS N N 15 124.629 0.3 . 1 . . . . . 13 LYS N . 51943 1 91 . 1 . 1 15 15 THR H H 1 8.938 0.020 . 1 . . . . . 14 THR H . 51943 1 92 . 1 . 1 15 15 THR HB H 1 4.274 0.020 . 1 . . . . . 14 THR HB . 51943 1 93 . 1 . 1 15 15 THR C C 13 171.918 0.3 . 1 . . . . . 14 THR C . 51943 1 94 . 1 . 1 15 15 THR CA C 13 63.862 0.3 . 1 . . . . . 14 THR CA . 51943 1 95 . 1 . 1 15 15 THR CB C 13 67.974 0.3 . 1 . . . . . 14 THR CB . 51943 1 96 . 1 . 1 15 15 THR N N 15 120.882 0.3 . 1 . . . . . 14 THR N . 51943 1 97 . 1 . 1 16 16 ALA H H 1 9.091 0.020 . 1 . . . . . 15 ALA H . 51943 1 98 . 1 . 1 16 16 ALA HB1 H 1 1.455 0.020 . 1 . . . . . 15 ALA HB . 51943 1 99 . 1 . 1 16 16 ALA HB2 H 1 1.455 0.020 . 1 . . . . . 15 ALA HB . 51943 1 100 . 1 . 1 16 16 ALA HB3 H 1 1.455 0.020 . 1 . . . . . 15 ALA HB . 51943 1 101 . 1 . 1 16 16 ALA C C 13 176.076 0.3 . 1 . . . . . 15 ALA C . 51943 1 102 . 1 . 1 16 16 ALA CA C 13 48.779 0.3 . 1 . . . . . 15 ALA CA . 51943 1 103 . 1 . 1 16 16 ALA CB C 13 23.719 0.3 . 1 . . . . . 15 ALA CB . 51943 1 104 . 1 . 1 16 16 ALA N N 15 128.078 0.3 . 1 . . . . . 15 ALA N . 51943 1 105 . 1 . 1 17 17 VAL H H 1 8.888 0.020 . 1 . . . . . 16 VAL H . 51943 1 106 . 1 . 1 17 17 VAL HG11 H 1 0.877 0.020 . 2 . . . . . 16 VAL HG1 . 51943 1 107 . 1 . 1 17 17 VAL HG12 H 1 0.877 0.020 . 2 . . . . . 16 VAL HG1 . 51943 1 108 . 1 . 1 17 17 VAL HG13 H 1 0.877 0.020 . 2 . . . . . 16 VAL HG1 . 51943 1 109 . 1 . 1 17 17 VAL HG21 H 1 1.129 0.020 . 2 . . . . . 16 VAL HG2 . 51943 1 110 . 1 . 1 17 17 VAL HG22 H 1 1.129 0.020 . 2 . . . . . 16 VAL HG2 . 51943 1 111 . 1 . 1 17 17 VAL HG23 H 1 1.129 0.020 . 2 . . . . . 16 VAL HG2 . 51943 1 112 . 1 . 1 17 17 VAL C C 13 176.766 0.3 . 1 . . . . . 16 VAL C . 51943 1 113 . 1 . 1 17 17 VAL CA C 13 61.647 0.3 . 1 . . . . . 16 VAL CA . 51943 1 114 . 1 . 1 17 17 VAL CB C 13 31.299 0.3 . 1 . . . . . 16 VAL CB . 51943 1 115 . 1 . 1 17 17 VAL CG1 C 13 21.122 0.3 . 1 . . . . . 16 VAL CG1 . 51943 1 116 . 1 . 1 17 17 VAL CG2 C 13 22.130 0.3 . 1 . . . . . 16 VAL CG2 . 51943 1 117 . 1 . 1 17 17 VAL N N 15 120.244 0.3 . 1 . . . . . 16 VAL N . 51943 1 118 . 1 . 1 18 18 VAL H H 1 9.259 0.020 . 1 . . . . . 17 VAL H . 51943 1 119 . 1 . 1 18 18 VAL HG11 H 1 1.068 0.020 . 2 . . . . . 17 VAL HG1 . 51943 1 120 . 1 . 1 18 18 VAL HG12 H 1 1.068 0.020 . 2 . . . . . 17 VAL HG1 . 51943 1 121 . 1 . 1 18 18 VAL HG13 H 1 1.068 0.020 . 2 . . . . . 17 VAL HG1 . 51943 1 122 . 1 . 1 18 18 VAL HG21 H 1 0.973 0.020 . 2 . . . . . 17 VAL HG2 . 51943 1 123 . 1 . 1 18 18 VAL HG22 H 1 0.973 0.020 . 2 . . . . . 17 VAL HG2 . 51943 1 124 . 1 . 1 18 18 VAL HG23 H 1 0.973 0.020 . 2 . . . . . 17 VAL HG2 . 51943 1 125 . 1 . 1 18 18 VAL C C 13 174.971 0.3 . 1 . . . . . 17 VAL C . 51943 1 126 . 1 . 1 18 18 VAL CA C 13 60.991 0.3 . 1 . . . . . 17 VAL CA . 51943 1 127 . 1 . 1 18 18 VAL CB C 13 33.186 0.3 . 1 . . . . . 17 VAL CB . 51943 1 128 . 1 . 1 18 18 VAL CG1 C 13 21.062 0.3 . 1 . . . . . 17 VAL CG1 . 51943 1 129 . 1 . 1 18 18 VAL CG2 C 13 21.694 0.3 . 1 . . . . . 17 VAL CG2 . 51943 1 130 . 1 . 1 18 18 VAL N N 15 130.204 0.3 . 1 . . . . . 17 VAL N . 51943 1 131 . 1 . 1 19 19 ASP H H 1 9.141 0.020 . 1 . . . . . 18 ASP H . 51943 1 132 . 1 . 1 19 19 ASP C C 13 176.363 0.3 . 1 . . . . . 18 ASP C . 51943 1 133 . 1 . 1 19 19 ASP CA C 13 54.964 0.3 . 1 . . . . . 18 ASP CA . 51943 1 134 . 1 . 1 19 19 ASP CB C 13 39.138 0.3 . 1 . . . . . 18 ASP CB . 51943 1 135 . 1 . 1 19 19 ASP N N 15 128.187 0.3 . 1 . . . . . 18 ASP N . 51943 1 136 . 1 . 1 20 20 GLY H H 1 8.058 0.020 . 1 . . . . . 19 GLY H . 51943 1 137 . 1 . 1 20 20 GLY C C 13 172.841 0.3 . 1 . . . . . 19 GLY C . 51943 1 138 . 1 . 1 20 20 GLY CA C 13 45.139 0.3 . 1 . . . . . 19 GLY CA . 51943 1 139 . 1 . 1 20 20 GLY N N 15 102.106 0.3 . 1 . . . . . 19 GLY N . 51943 1 140 . 1 . 1 21 21 VAL H H 1 7.596 0.020 . 1 . . . . . 20 VAL H . 51943 1 141 . 1 . 1 21 21 VAL HG11 H 1 1.017 0.020 . 2 . . . . . 20 VAL HG1 . 51943 1 142 . 1 . 1 21 21 VAL HG12 H 1 1.017 0.020 . 2 . . . . . 20 VAL HG1 . 51943 1 143 . 1 . 1 21 21 VAL HG13 H 1 1.017 0.020 . 2 . . . . . 20 VAL HG1 . 51943 1 144 . 1 . 1 21 21 VAL HG21 H 1 1.096 0.020 . 2 . . . . . 20 VAL HG2 . 51943 1 145 . 1 . 1 21 21 VAL HG22 H 1 1.096 0.020 . 2 . . . . . 20 VAL HG2 . 51943 1 146 . 1 . 1 21 21 VAL HG23 H 1 1.096 0.020 . 2 . . . . . 20 VAL HG2 . 51943 1 147 . 1 . 1 21 21 VAL C C 13 174.004 0.3 . 1 . . . . . 20 VAL C . 51943 1 148 . 1 . 1 21 21 VAL CA C 13 58.578 0.3 . 1 . . . . . 20 VAL CA . 51943 1 149 . 1 . 1 21 21 VAL CB C 13 34.239 0.3 . 1 . . . . . 20 VAL CB . 51943 1 150 . 1 . 1 21 21 VAL CG1 C 13 19.309 0.3 . 1 . . . . . 20 VAL CG1 . 51943 1 151 . 1 . 1 21 21 VAL CG2 C 13 20.899 0.3 . 1 . . . . . 20 VAL CG2 . 51943 1 152 . 1 . 1 21 21 VAL N N 15 115.733 0.3 . 1 . . . . . 20 VAL N . 51943 1 153 . 1 . 1 22 22 PHE H H 1 7.789 0.020 . 1 . . . . . 21 PHE H . 51943 1 154 . 1 . 1 22 22 PHE C C 13 176.261 0.3 . 1 . . . . . 21 PHE C . 51943 1 155 . 1 . 1 22 22 PHE CA C 13 53.896 0.3 . 1 . . . . . 21 PHE CA . 51943 1 156 . 1 . 1 22 22 PHE CB C 13 38.029 0.3 . 1 . . . . . 21 PHE CB . 51943 1 157 . 1 . 1 22 22 PHE N N 15 118.543 0.3 . 1 . . . . . 21 PHE N . 51943 1 158 . 1 . 1 23 23 ASP H H 1 9.317 0.020 . 1 . . . . . 22 ASP H . 51943 1 159 . 1 . 1 23 23 ASP C C 13 174.692 0.3 . 1 . . . . . 22 ASP C . 51943 1 160 . 1 . 1 23 23 ASP CA C 13 52.167 0.3 . 1 . . . . . 22 ASP CA . 51943 1 161 . 1 . 1 23 23 ASP CB C 13 44.274 0.3 . 1 . . . . . 22 ASP CB . 51943 1 162 . 1 . 1 23 23 ASP N N 15 123.755 0.3 . 1 . . . . . 22 ASP N . 51943 1 163 . 1 . 1 24 24 GLU H H 1 8.726 0.020 . 1 . . . . . 23 GLU H . 51943 1 164 . 1 . 1 24 24 GLU C C 13 176.080 0.3 . 1 . . . . . 23 GLU C . 51943 1 165 . 1 . 1 24 24 GLU CA C 13 55.484 0.3 . 1 . . . . . 23 GLU CA . 51943 1 166 . 1 . 1 24 24 GLU CB C 13 30.886 0.3 . 1 . . . . . 23 GLU CB . 51943 1 167 . 1 . 1 24 24 GLU N N 15 123.368 0.3 . 1 . . . . . 23 GLU N . 51943 1 168 . 1 . 1 25 25 VAL H H 1 9.148 0.020 . 1 . . . . . 24 VAL H . 51943 1 169 . 1 . 1 25 25 VAL HB H 1 2.288 0.020 . 1 . . . . . 24 VAL HB . 51943 1 170 . 1 . 1 25 25 VAL HG11 H 1 0.931 0.020 . 2 . . . . . 24 VAL HG1 . 51943 1 171 . 1 . 1 25 25 VAL HG12 H 1 0.931 0.020 . 2 . . . . . 24 VAL HG1 . 51943 1 172 . 1 . 1 25 25 VAL HG13 H 1 0.931 0.020 . 2 . . . . . 24 VAL HG1 . 51943 1 173 . 1 . 1 25 25 VAL HG21 H 1 1.077 0.020 . 2 . . . . . 24 VAL HG2 . 51943 1 174 . 1 . 1 25 25 VAL HG22 H 1 1.077 0.020 . 2 . . . . . 24 VAL HG2 . 51943 1 175 . 1 . 1 25 25 VAL HG23 H 1 1.077 0.020 . 2 . . . . . 24 VAL HG2 . 51943 1 176 . 1 . 1 25 25 VAL C C 13 173.162 0.3 . 1 . . . . . 24 VAL C . 51943 1 177 . 1 . 1 25 25 VAL CA C 13 60.759 0.3 . 1 . . . . . 24 VAL CA . 51943 1 178 . 1 . 1 25 25 VAL CB C 13 34.002 0.3 . 1 . . . . . 24 VAL CB . 51943 1 179 . 1 . 1 25 25 VAL CG1 C 13 20.676 0.3 . 1 . . . . . 24 VAL CG1 . 51943 1 180 . 1 . 1 25 25 VAL CG2 C 13 21.879 0.3 . 1 . . . . . 24 VAL CG2 . 51943 1 181 . 1 . 1 25 25 VAL N N 15 123.158 0.3 . 1 . . . . . 24 VAL N . 51943 1 182 . 1 . 1 26 26 SER H H 1 7.004 0.020 . 1 . . . . . 25 SER H . 51943 1 183 . 1 . 1 26 26 SER C C 13 174.479 0.3 . 1 . . . . . 25 SER C . 51943 1 184 . 1 . 1 26 26 SER CA C 13 55.056 0.3 . 1 . . . . . 25 SER CA . 51943 1 185 . 1 . 1 26 26 SER CB C 13 65.411 0.3 . 1 . . . . . 25 SER CB . 51943 1 186 . 1 . 1 26 26 SER N N 15 116.545 0.3 . 1 . . . . . 25 SER N . 51943 1 187 . 1 . 1 27 27 LEU H H 1 7.439 0.020 . 1 . . . . . 26 LEU H . 51943 1 188 . 1 . 1 27 27 LEU HD11 H 1 0.902 0.020 . 2 . . . . . 26 LEU HD1 . 51943 1 189 . 1 . 1 27 27 LEU HD12 H 1 0.902 0.020 . 2 . . . . . 26 LEU HD1 . 51943 1 190 . 1 . 1 27 27 LEU HD13 H 1 0.902 0.020 . 2 . . . . . 26 LEU HD1 . 51943 1 191 . 1 . 1 27 27 LEU HD21 H 1 0.950 0.020 . 2 . . . . . 26 LEU HD2 . 51943 1 192 . 1 . 1 27 27 LEU HD22 H 1 0.950 0.020 . 2 . . . . . 26 LEU HD2 . 51943 1 193 . 1 . 1 27 27 LEU HD23 H 1 0.950 0.020 . 2 . . . . . 26 LEU HD2 . 51943 1 194 . 1 . 1 27 27 LEU C C 13 179.126 0.3 . 1 . . . . . 26 LEU C . 51943 1 195 . 1 . 1 27 27 LEU CA C 13 57.301 0.3 . 1 . . . . . 26 LEU CA . 51943 1 196 . 1 . 1 27 27 LEU CB C 13 39.037 0.3 . 1 . . . . . 26 LEU CB . 51943 1 197 . 1 . 1 27 27 LEU CD1 C 13 24.387 0.3 . 1 . . . . . 26 LEU CD1 . 51943 1 198 . 1 . 1 27 27 LEU CD2 C 13 23.069 0.3 . 1 . . . . . 26 LEU CD2 . 51943 1 199 . 1 . 1 27 27 LEU N N 15 122.002 0.3 . 1 . . . . . 26 LEU N . 51943 1 200 . 1 . 1 28 28 ASP H H 1 7.855 0.020 . 1 . . . . . 27 ASP H . 51943 1 201 . 1 . 1 28 28 ASP C C 13 177.465 0.3 . 1 . . . . . 27 ASP C . 51943 1 202 . 1 . 1 28 28 ASP CA C 13 55.650 0.3 . 1 . . . . . 27 ASP CA . 51943 1 203 . 1 . 1 28 28 ASP CB C 13 39.348 0.3 . 1 . . . . . 27 ASP CB . 51943 1 204 . 1 . 1 28 28 ASP N N 15 116.233 0.3 . 1 . . . . . 27 ASP N . 51943 1 205 . 1 . 1 29 29 LYS H H 1 7.164 0.020 . 1 . . . . . 28 LYS H . 51943 1 206 . 1 . 1 29 29 LYS C C 13 176.956 0.3 . 1 . . . . . 28 LYS C . 51943 1 207 . 1 . 1 29 29 LYS CA C 13 57.327 0.3 . 1 . . . . . 28 LYS CA . 51943 1 208 . 1 . 1 29 29 LYS CB C 13 31.314 0.3 . 1 . . . . . 28 LYS CB . 51943 1 209 . 1 . 1 29 29 LYS N N 15 120.068 0.3 . 1 . . . . . 28 LYS N . 51943 1 210 . 1 . 1 30 30 TYR H H 1 7.160 0.020 . 1 . . . . . 29 TYR H . 51943 1 211 . 1 . 1 30 30 TYR C C 13 174.435 0.3 . 1 . . . . . 29 TYR C . 51943 1 212 . 1 . 1 30 30 TYR CA C 13 55.598 0.3 . 1 . . . . . 29 TYR CA . 51943 1 213 . 1 . 1 30 30 TYR CB C 13 37.436 0.3 . 1 . . . . . 29 TYR CB . 51943 1 214 . 1 . 1 30 30 TYR N N 15 116.934 0.3 . 1 . . . . . 29 TYR N . 51943 1 215 . 1 . 1 31 31 LYS H H 1 6.854 0.020 . 1 . . . . . 30 LYS H . 51943 1 216 . 1 . 1 31 31 LYS C C 13 178.172 0.3 . 1 . . . . . 30 LYS C . 51943 1 217 . 1 . 1 31 31 LYS CA C 13 57.503 0.3 . 1 . . . . . 30 LYS CA . 51943 1 218 . 1 . 1 31 31 LYS CB C 13 31.102 0.3 . 1 . . . . . 30 LYS CB . 51943 1 219 . 1 . 1 31 31 LYS N N 15 121.001 0.3 . 1 . . . . . 30 LYS N . 51943 1 220 . 1 . 1 32 32 GLY H H 1 8.892 0.020 . 1 . . . . . 31 GLY H . 51943 1 221 . 1 . 1 32 32 GLY C C 13 173.588 0.3 . 1 . . . . . 31 GLY C . 51943 1 222 . 1 . 1 32 32 GLY CA C 13 44.816 0.3 . 1 . . . . . 31 GLY CA . 51943 1 223 . 1 . 1 32 32 GLY N N 15 113.241 0.3 . 1 . . . . . 31 GLY N . 51943 1 224 . 1 . 1 33 33 LYS H H 1 8.270 0.020 . 1 . . . . . 32 LYS H . 51943 1 225 . 1 . 1 33 33 LYS C C 13 176.497 0.3 . 1 . . . . . 32 LYS C . 51943 1 226 . 1 . 1 33 33 LYS CA C 13 54.196 0.3 . 1 . . . . . 32 LYS CA . 51943 1 227 . 1 . 1 33 33 LYS CB C 13 33.232 0.3 . 1 . . . . . 32 LYS CB . 51943 1 228 . 1 . 1 33 33 LYS N N 15 121.097 0.3 . 1 . . . . . 32 LYS N . 51943 1 229 . 1 . 1 34 34 TYR H H 1 8.134 0.020 . 1 . . . . . 33 TYR H . 51943 1 230 . 1 . 1 34 34 TYR C C 13 175.777 0.3 . 1 . . . . . 33 TYR C . 51943 1 231 . 1 . 1 34 34 TYR CA C 13 58.868 0.3 . 1 . . . . . 33 TYR CA . 51943 1 232 . 1 . 1 34 34 TYR CB C 13 39.820 0.3 . 1 . . . . . 33 TYR CB . 51943 1 233 . 1 . 1 34 34 TYR N N 15 118.098 0.3 . 1 . . . . . 33 TYR N . 51943 1 234 . 1 . 1 35 35 VAL H H 1 8.191 0.020 . 1 . . . . . 34 VAL H . 51943 1 235 . 1 . 1 35 35 VAL HG11 H 1 0.716 0.020 . 2 . . . . . 34 VAL HG1 . 51943 1 236 . 1 . 1 35 35 VAL HG12 H 1 0.716 0.020 . 2 . . . . . 34 VAL HG1 . 51943 1 237 . 1 . 1 35 35 VAL HG13 H 1 0.716 0.020 . 2 . . . . . 34 VAL HG1 . 51943 1 238 . 1 . 1 35 35 VAL HG21 H 1 0.834 0.020 . 2 . . . . . 34 VAL HG2 . 51943 1 239 . 1 . 1 35 35 VAL HG22 H 1 0.834 0.020 . 2 . . . . . 34 VAL HG2 . 51943 1 240 . 1 . 1 35 35 VAL HG23 H 1 0.834 0.020 . 2 . . . . . 34 VAL HG2 . 51943 1 241 . 1 . 1 35 35 VAL C C 13 176.172 0.3 . 1 . . . . . 34 VAL C . 51943 1 242 . 1 . 1 35 35 VAL CA C 13 56.216 0.3 . 1 . . . . . 34 VAL CA . 51943 1 243 . 1 . 1 35 35 VAL CB C 13 29.326 0.3 . 1 . . . . . 34 VAL CB . 51943 1 244 . 1 . 1 35 35 VAL CG1 C 13 20.600 0.3 . 1 . . . . . 34 VAL CG1 . 51943 1 245 . 1 . 1 35 35 VAL CG2 C 13 21.699 0.3 . 1 . . . . . 34 VAL CG2 . 51943 1 246 . 1 . 1 35 35 VAL N N 15 121.194 0.3 . 1 . . . . . 34 VAL N . 51943 1 247 . 1 . 1 36 36 VAL H H 1 7.541 0.020 . 1 . . . . . 35 VAL H . 51943 1 248 . 1 . 1 36 36 VAL HG11 H 1 0.872 0.020 . 2 . . . . . 35 VAL HG1 . 51943 1 249 . 1 . 1 36 36 VAL HG12 H 1 0.872 0.020 . 2 . . . . . 35 VAL HG1 . 51943 1 250 . 1 . 1 36 36 VAL HG13 H 1 0.872 0.020 . 2 . . . . . 35 VAL HG1 . 51943 1 251 . 1 . 1 36 36 VAL HG21 H 1 0.709 0.020 . 2 . . . . . 35 VAL HG2 . 51943 1 252 . 1 . 1 36 36 VAL HG22 H 1 0.709 0.020 . 2 . . . . . 35 VAL HG2 . 51943 1 253 . 1 . 1 36 36 VAL HG23 H 1 0.709 0.020 . 2 . . . . . 35 VAL HG2 . 51943 1 254 . 1 . 1 36 36 VAL C C 13 180.320 0.3 . 1 . . . . . 35 VAL C . 51943 1 255 . 1 . 1 36 36 VAL CA C 13 58.555 0.3 . 1 . . . . . 35 VAL CA . 51943 1 256 . 1 . 1 36 36 VAL CB C 13 33.153 0.3 . 1 . . . . . 35 VAL CB . 51943 1 257 . 1 . 1 36 36 VAL CG1 C 13 19.603 0.3 . 1 . . . . . 35 VAL CG1 . 51943 1 258 . 1 . 1 36 36 VAL CG2 C 13 20.218 0.3 . 1 . . . . . 35 VAL CG2 . 51943 1 259 . 1 . 1 36 36 VAL N N 15 125.447 0.3 . 1 . . . . . 35 VAL N . 51943 1 260 . 1 . 1 37 37 LEU HD11 H 1 -0.022 0.020 . 2 . . . . . 36 LEU HD1 . 51943 1 261 . 1 . 1 37 37 LEU HD12 H 1 -0.022 0.020 . 2 . . . . . 36 LEU HD1 . 51943 1 262 . 1 . 1 37 37 LEU HD13 H 1 -0.022 0.020 . 2 . . . . . 36 LEU HD1 . 51943 1 263 . 1 . 1 37 37 LEU HD21 H 1 0.509 0.020 . 2 . . . . . 36 LEU HD2 . 51943 1 264 . 1 . 1 37 37 LEU HD22 H 1 0.509 0.020 . 2 . . . . . 36 LEU HD2 . 51943 1 265 . 1 . 1 37 37 LEU HD23 H 1 0.509 0.020 . 2 . . . . . 36 LEU HD2 . 51943 1 266 . 1 . 1 37 37 LEU CD1 C 13 26.072 0.3 . 1 . . . . . 36 LEU CD1 . 51943 1 267 . 1 . 1 37 37 LEU CD2 C 13 25.554 0.3 . 1 . . . . . 36 LEU CD2 . 51943 1 268 . 1 . 1 40 40 ILE HD11 H 1 0.679 0.020 . 1 . . . . . 39 ILE HD1 . 51943 1 269 . 1 . 1 40 40 ILE HD12 H 1 0.679 0.020 . 1 . . . . . 39 ILE HD1 . 51943 1 270 . 1 . 1 40 40 ILE HD13 H 1 0.679 0.020 . 1 . . . . . 39 ILE HD1 . 51943 1 271 . 1 . 1 40 40 ILE CD1 C 13 13.201 0.3 . 1 . . . . . 39 ILE CD1 . 51943 1 272 . 1 . 1 41 41 PRO C C 13 178.537 0.3 . 1 . . . . . 40 PRO C . 51943 1 273 . 1 . 1 41 41 PRO CA C 13 58.420 0.3 . 1 . . . . . 40 PRO CA . 51943 1 274 . 1 . 1 41 41 PRO CB C 13 31.775 0.3 . 1 . . . . . 40 PRO CB . 51943 1 275 . 1 . 1 42 42 LEU H H 1 8.057 0.020 . 1 . . . . . 41 LEU H . 51943 1 276 . 1 . 1 42 42 LEU HD11 H 1 1.001 0.020 . 2 . . . . . 41 LEU HD1 . 51943 1 277 . 1 . 1 42 42 LEU HD12 H 1 1.001 0.020 . 2 . . . . . 41 LEU HD1 . 51943 1 278 . 1 . 1 42 42 LEU HD13 H 1 1.001 0.020 . 2 . . . . . 41 LEU HD1 . 51943 1 279 . 1 . 1 42 42 LEU HD21 H 1 1.027 0.020 . 2 . . . . . 41 LEU HD2 . 51943 1 280 . 1 . 1 42 42 LEU HD22 H 1 1.027 0.020 . 2 . . . . . 41 LEU HD2 . 51943 1 281 . 1 . 1 42 42 LEU HD23 H 1 1.027 0.020 . 2 . . . . . 41 LEU HD2 . 51943 1 282 . 1 . 1 42 42 LEU C C 13 180.047 0.3 . 1 . . . . . 41 LEU C . 51943 1 283 . 1 . 1 42 42 LEU CA C 13 57.287 0.3 . 1 . . . . . 41 LEU CA . 51943 1 284 . 1 . 1 42 42 LEU CB C 13 40.863 0.3 . 1 . . . . . 41 LEU CB . 51943 1 285 . 1 . 1 42 42 LEU CD1 C 13 23.654 0.3 . 1 . . . . . 41 LEU CD1 . 51943 1 286 . 1 . 1 42 42 LEU CD2 C 13 25.232 0.3 . 1 . . . . . 41 LEU CD2 . 51943 1 287 . 1 . 1 42 42 LEU N N 15 118.807 0.3 . 1 . . . . . 41 LEU N . 51943 1 288 . 1 . 1 43 43 ALA H H 1 7.805 0.020 . 1 . . . . . 42 ALA H . 51943 1 289 . 1 . 1 43 43 ALA HB1 H 1 1.832 0.020 . 1 . . . . . 42 ALA HB . 51943 1 290 . 1 . 1 43 43 ALA HB2 H 1 1.832 0.020 . 1 . . . . . 42 ALA HB . 51943 1 291 . 1 . 1 43 43 ALA HB3 H 1 1.832 0.020 . 1 . . . . . 42 ALA HB . 51943 1 292 . 1 . 1 43 43 ALA C C 13 180.622 0.3 . 1 . . . . . 42 ALA C . 51943 1 293 . 1 . 1 43 43 ALA CA C 13 55.028 0.3 . 1 . . . . . 42 ALA CA . 51943 1 294 . 1 . 1 43 43 ALA CB C 13 16.726 0.3 . 1 . . . . . 42 ALA CB . 51943 1 295 . 1 . 1 43 43 ALA N N 15 122.268 0.3 . 1 . . . . . 42 ALA N . 51943 1 296 . 1 . 1 44 44 PHE H H 1 7.959 0.020 . 1 . . . . . 43 PHE H . 51943 1 297 . 1 . 1 44 44 PHE C C 13 179.530 0.3 . 1 . . . . . 43 PHE C . 51943 1 298 . 1 . 1 44 44 PHE CA C 13 57.458 0.3 . 1 . . . . . 43 PHE CA . 51943 1 299 . 1 . 1 44 44 PHE CB C 13 40.572 0.3 . 1 . . . . . 43 PHE CB . 51943 1 300 . 1 . 1 44 44 PHE N N 15 118.558 0.3 . 1 . . . . . 43 PHE N . 51943 1 301 . 1 . 1 46 46 PHE C C 13 174.528 0.3 . 1 . . . . . 45 PHE C . 51943 1 302 . 1 . 1 46 46 PHE CA C 13 51.982 0.3 . 1 . . . . . 45 PHE CA . 51943 1 303 . 1 . 1 46 46 PHE CB C 13 36.745 0.3 . 1 . . . . . 45 PHE CB . 51943 1 304 . 1 . 1 47 47 VAL H H 1 7.437 0.020 . 1 . . . . . 46 VAL H . 51943 1 305 . 1 . 1 47 47 VAL HG11 H 1 0.231 0.020 . 2 . . . . . 46 VAL HG1 . 51943 1 306 . 1 . 1 47 47 VAL HG12 H 1 0.231 0.020 . 2 . . . . . 46 VAL HG1 . 51943 1 307 . 1 . 1 47 47 VAL HG13 H 1 0.231 0.020 . 2 . . . . . 46 VAL HG1 . 51943 1 308 . 1 . 1 47 47 VAL HG21 H 1 0.697 0.020 . 2 . . . . . 46 VAL HG2 . 51943 1 309 . 1 . 1 47 47 VAL HG22 H 1 0.697 0.020 . 2 . . . . . 46 VAL HG2 . 51943 1 310 . 1 . 1 47 47 VAL HG23 H 1 0.697 0.020 . 2 . . . . . 46 VAL HG2 . 51943 1 311 . 1 . 1 47 47 VAL C C 13 175.601 0.3 . 1 . . . . . 46 VAL C . 51943 1 312 . 1 . 1 47 47 VAL CA C 13 59.384 0.3 . 1 . . . . . 46 VAL CA . 51943 1 313 . 1 . 1 47 47 VAL CB C 13 28.501 0.3 . 1 . . . . . 46 VAL CB . 51943 1 314 . 1 . 1 47 47 VAL CG1 C 13 21.086 0.3 . 1 . . . . . 46 VAL CG1 . 51943 1 315 . 1 . 1 47 47 VAL CG2 C 13 19.950 0.3 . 1 . . . . . 46 VAL CG2 . 51943 1 316 . 1 . 1 47 47 VAL N N 15 121.309 0.3 . 1 . . . . . 46 VAL N . 51943 1 317 . 1 . 1 52 52 ILE HD11 H 1 0.812 0.020 . 1 . . . . . 51 ILE HD1 . 51943 1 318 . 1 . 1 52 52 ILE HD12 H 1 0.812 0.020 . 1 . . . . . 51 ILE HD1 . 51943 1 319 . 1 . 1 52 52 ILE HD13 H 1 0.812 0.020 . 1 . . . . . 51 ILE HD1 . 51943 1 320 . 1 . 1 52 52 ILE C C 13 178.817 0.3 . 1 . . . . . 51 ILE C . 51943 1 321 . 1 . 1 52 52 ILE CA C 13 61.693 0.3 . 1 . . . . . 51 ILE CA . 51943 1 322 . 1 . 1 52 52 ILE CB C 13 37.147 0.3 . 1 . . . . . 51 ILE CB . 51943 1 323 . 1 . 1 52 52 ILE CD1 C 13 12.780 0.3 . 1 . . . . . 51 ILE CD1 . 51943 1 324 . 1 . 1 53 53 ILE H H 1 7.437 0.020 . 1 . . . . . 52 ILE H . 51943 1 325 . 1 . 1 53 53 ILE HD11 H 1 0.788 0.020 . 1 . . . . . 52 ILE HD1 . 51943 1 326 . 1 . 1 53 53 ILE HD12 H 1 0.788 0.020 . 1 . . . . . 52 ILE HD1 . 51943 1 327 . 1 . 1 53 53 ILE HD13 H 1 0.788 0.020 . 1 . . . . . 52 ILE HD1 . 51943 1 328 . 1 . 1 53 53 ILE C C 13 177.932 0.3 . 1 . . . . . 52 ILE C . 51943 1 329 . 1 . 1 53 53 ILE CA C 13 56.796 0.3 . 1 . . . . . 52 ILE CA . 51943 1 330 . 1 . 1 53 53 ILE CB C 13 39.408 0.3 . 1 . . . . . 52 ILE CB . 51943 1 331 . 1 . 1 53 53 ILE CD1 C 13 12.249 0.3 . 1 . . . . . 52 ILE CD1 . 51943 1 332 . 1 . 1 53 53 ILE N N 15 123.185 0.3 . 1 . . . . . 52 ILE N . 51943 1 333 . 1 . 1 54 54 ALA H H 1 7.968 0.020 . 1 . . . . . 53 ALA H . 51943 1 334 . 1 . 1 54 54 ALA C C 13 174.925 0.3 . 1 . . . . . 53 ALA C . 51943 1 335 . 1 . 1 54 54 ALA CA C 13 52.153 0.3 . 1 . . . . . 53 ALA CA . 51943 1 336 . 1 . 1 54 54 ALA CB C 13 18.194 0.3 . 1 . . . . . 53 ALA CB . 51943 1 337 . 1 . 1 54 54 ALA N N 15 124.316 0.3 . 1 . . . . . 53 ALA N . 51943 1 338 . 1 . 1 55 55 PHE H H 1 8.198 0.020 . 1 . . . . . 54 PHE H . 51943 1 339 . 1 . 1 55 55 PHE C C 13 177.550 0.3 . 1 . . . . . 54 PHE C . 51943 1 340 . 1 . 1 55 55 PHE CA C 13 62.191 0.3 . 1 . . . . . 54 PHE CA . 51943 1 341 . 1 . 1 55 55 PHE N N 15 122.469 0.3 . 1 . . . . . 54 PHE N . 51943 1 342 . 1 . 1 56 56 SER H H 1 8.237 0.020 . 1 . . . . . 55 SER H . 51943 1 343 . 1 . 1 56 56 SER C C 13 175.615 0.3 . 1 . . . . . 55 SER C . 51943 1 344 . 1 . 1 56 56 SER CA C 13 61.651 0.3 . 1 . . . . . 55 SER CA . 51943 1 345 . 1 . 1 56 56 SER CB C 13 62.483 0.3 . 1 . . . . . 55 SER CB . 51943 1 346 . 1 . 1 56 56 SER N N 15 113.453 0.3 . 1 . . . . . 55 SER N . 51943 1 347 . 1 . 1 57 57 GLU H H 1 9.066 0.020 . 1 . . . . . 56 GLU H . 51943 1 348 . 1 . 1 57 57 GLU C C 13 177.644 0.3 . 1 . . . . . 56 GLU C . 51943 1 349 . 1 . 1 57 57 GLU CA C 13 58.054 0.3 . 1 . . . . . 56 GLU CA . 51943 1 350 . 1 . 1 57 57 GLU CB C 13 28.807 0.3 . 1 . . . . . 56 GLU CB . 51943 1 351 . 1 . 1 57 57 GLU N N 15 119.029 0.3 . 1 . . . . . 56 GLU N . 51943 1 352 . 1 . 1 58 58 ALA H H 1 7.196 0.020 . 1 . . . . . 57 ALA H . 51943 1 353 . 1 . 1 58 58 ALA HB1 H 1 1.629 0.020 . 1 . . . . . 57 ALA HB . 51943 1 354 . 1 . 1 58 58 ALA HB2 H 1 1.629 0.020 . 1 . . . . . 57 ALA HB . 51943 1 355 . 1 . 1 58 58 ALA HB3 H 1 1.629 0.020 . 1 . . . . . 57 ALA HB . 51943 1 356 . 1 . 1 58 58 ALA C C 13 178.061 0.3 . 1 . . . . . 57 ALA C . 51943 1 357 . 1 . 1 58 58 ALA CA C 13 51.069 0.3 . 1 . . . . . 57 ALA CA . 51943 1 358 . 1 . 1 58 58 ALA CB C 13 19.482 0.3 . 1 . . . . . 57 ALA CB . 51943 1 359 . 1 . 1 58 58 ALA N N 15 120.033 0.3 . 1 . . . . . 57 ALA N . 51943 1 360 . 1 . 1 59 59 ALA H H 1 7.700 0.020 . 1 . . . . . 58 ALA H . 51943 1 361 . 1 . 1 59 59 ALA HB1 H 1 1.755 0.020 . 1 . . . . . 58 ALA HB . 51943 1 362 . 1 . 1 59 59 ALA HB2 H 1 1.755 0.020 . 1 . . . . . 58 ALA HB . 51943 1 363 . 1 . 1 59 59 ALA HB3 H 1 1.755 0.020 . 1 . . . . . 58 ALA HB . 51943 1 364 . 1 . 1 59 59 ALA C C 13 180.003 0.3 . 1 . . . . . 58 ALA C . 51943 1 365 . 1 . 1 59 59 ALA CA C 13 56.872 0.3 . 1 . . . . . 58 ALA CA . 51943 1 366 . 1 . 1 59 59 ALA CB C 13 18.242 0.3 . 1 . . . . . 58 ALA CB . 51943 1 367 . 1 . 1 59 59 ALA N N 15 124.909 0.3 . 1 . . . . . 58 ALA N . 51943 1 368 . 1 . 1 60 60 LYS C C 13 179.002 0.3 . 1 . . . . . 59 LYS C . 51943 1 369 . 1 . 1 60 60 LYS CA C 13 58.366 0.3 . 1 . . . . . 59 LYS CA . 51943 1 370 . 1 . 1 60 60 LYS CB C 13 30.887 0.3 . 1 . . . . . 59 LYS CB . 51943 1 371 . 1 . 1 61 61 LYS H H 1 7.665 0.020 . 1 . . . . . 60 LYS H . 51943 1 372 . 1 . 1 61 61 LYS C C 13 180.262 0.3 . 1 . . . . . 60 LYS C . 51943 1 373 . 1 . 1 61 61 LYS CA C 13 58.268 0.3 . 1 . . . . . 60 LYS CA . 51943 1 374 . 1 . 1 61 61 LYS CB C 13 30.693 0.3 . 1 . . . . . 60 LYS CB . 51943 1 375 . 1 . 1 61 61 LYS N N 15 119.856 0.3 . 1 . . . . . 60 LYS N . 51943 1 376 . 1 . 1 62 62 PHE H H 1 7.775 0.020 . 1 . . . . . 61 PHE H . 51943 1 377 . 1 . 1 62 62 PHE C C 13 178.651 0.3 . 1 . . . . . 61 PHE C . 51943 1 378 . 1 . 1 62 62 PHE CA C 13 62.695 0.3 . 1 . . . . . 61 PHE CA . 51943 1 379 . 1 . 1 62 62 PHE CB C 13 37.325 0.3 . 1 . . . . . 61 PHE CB . 51943 1 380 . 1 . 1 62 62 PHE N N 15 117.433 0.3 . 1 . . . . . 61 PHE N . 51943 1 381 . 1 . 1 63 63 GLU H H 1 8.585 0.020 . 1 . . . . . 62 GLU H . 51943 1 382 . 1 . 1 63 63 GLU C C 13 169.460 0.3 . 1 . . . . . 62 GLU C . 51943 1 383 . 1 . 1 63 63 GLU CA C 13 59.524 0.3 . 1 . . . . . 62 GLU CA . 51943 1 384 . 1 . 1 63 63 GLU CB C 13 28.730 0.3 . 1 . . . . . 62 GLU CB . 51943 1 385 . 1 . 1 63 63 GLU N N 15 122.291 0.3 . 1 . . . . . 62 GLU N . 51943 1 386 . 1 . 1 64 64 GLU H H 1 8.323 0.020 . 1 . . . . . 63 GLU H . 51943 1 387 . 1 . 1 64 64 GLU C C 13 177.848 0.3 . 1 . . . . . 63 GLU C . 51943 1 388 . 1 . 1 64 64 GLU CA C 13 58.473 0.3 . 1 . . . . . 63 GLU CA . 51943 1 389 . 1 . 1 64 64 GLU CB C 13 28.718 0.3 . 1 . . . . . 63 GLU CB . 51943 1 390 . 1 . 1 64 64 GLU N N 15 121.047 0.3 . 1 . . . . . 63 GLU N . 51943 1 391 . 1 . 1 65 65 GLN H H 1 7.357 0.020 . 1 . . . . . 64 GLN H . 51943 1 392 . 1 . 1 65 65 GLN C C 13 175.415 0.3 . 1 . . . . . 64 GLN C . 51943 1 393 . 1 . 1 65 65 GLN CA C 13 54.038 0.3 . 1 . . . . . 64 GLN CA . 51943 1 394 . 1 . 1 65 65 GLN CB C 13 28.136 0.3 . 1 . . . . . 64 GLN CB . 51943 1 395 . 1 . 1 65 65 GLN N N 15 116.835 0.3 . 1 . . . . . 64 GLN N . 51943 1 396 . 1 . 1 66 66 GLY H H 1 7.966 0.020 . 1 . . . . . 65 GLY H . 51943 1 397 . 1 . 1 66 66 GLY C C 13 173.990 0.3 . 1 . . . . . 65 GLY C . 51943 1 398 . 1 . 1 66 66 GLY CA C 13 46.060 0.3 . 1 . . . . . 65 GLY CA . 51943 1 399 . 1 . 1 66 66 GLY N N 15 106.476 0.3 . 1 . . . . . 65 GLY N . 51943 1 400 . 1 . 1 67 67 ALA H H 1 8.357 0.020 . 1 . . . . . 66 ALA H . 51943 1 401 . 1 . 1 67 67 ALA HB1 H 1 1.329 0.020 . 1 . . . . . 66 ALA HB . 51943 1 402 . 1 . 1 67 67 ALA HB2 H 1 1.329 0.020 . 1 . . . . . 66 ALA HB . 51943 1 403 . 1 . 1 67 67 ALA HB3 H 1 1.329 0.020 . 1 . . . . . 66 ALA HB . 51943 1 404 . 1 . 1 67 67 ALA C C 13 175.458 0.3 . 1 . . . . . 66 ALA C . 51943 1 405 . 1 . 1 67 67 ALA CA C 13 48.878 0.3 . 1 . . . . . 66 ALA CA . 51943 1 406 . 1 . 1 67 67 ALA CB C 13 22.687 0.3 . 1 . . . . . 66 ALA CB . 51943 1 407 . 1 . 1 67 67 ALA N N 15 121.462 0.3 . 1 . . . . . 66 ALA N . 51943 1 408 . 1 . 1 68 68 GLN H H 1 8.835 0.020 . 1 . . . . . 67 GLN H . 51943 1 409 . 1 . 1 68 68 GLN C C 13 174.055 0.3 . 1 . . . . . 67 GLN C . 51943 1 410 . 1 . 1 68 68 GLN CA C 13 52.665 0.3 . 1 . . . . . 67 GLN CA . 51943 1 411 . 1 . 1 68 68 GLN CB C 13 30.960 0.3 . 1 . . . . . 67 GLN CB . 51943 1 412 . 1 . 1 68 68 GLN N N 15 121.447 0.3 . 1 . . . . . 67 GLN N . 51943 1 413 . 1 . 1 69 69 VAL H H 1 8.372 0.020 . 1 . . . . . 68 VAL H . 51943 1 414 . 1 . 1 69 69 VAL HG11 H 1 0.584 0.020 . 2 . . . . . 68 VAL HG1 . 51943 1 415 . 1 . 1 69 69 VAL HG12 H 1 0.584 0.020 . 2 . . . . . 68 VAL HG1 . 51943 1 416 . 1 . 1 69 69 VAL HG13 H 1 0.584 0.020 . 2 . . . . . 68 VAL HG1 . 51943 1 417 . 1 . 1 69 69 VAL HG21 H 1 0.229 0.020 . 2 . . . . . 68 VAL HG2 . 51943 1 418 . 1 . 1 69 69 VAL HG22 H 1 0.229 0.020 . 2 . . . . . 68 VAL HG2 . 51943 1 419 . 1 . 1 69 69 VAL HG23 H 1 0.229 0.020 . 2 . . . . . 68 VAL HG2 . 51943 1 420 . 1 . 1 69 69 VAL C C 13 174.841 0.3 . 1 . . . . . 68 VAL C . 51943 1 421 . 1 . 1 69 69 VAL CA C 13 60.592 0.3 . 1 . . . . . 68 VAL CA . 51943 1 422 . 1 . 1 69 69 VAL CB C 13 31.083 0.3 . 1 . . . . . 68 VAL CB . 51943 1 423 . 1 . 1 69 69 VAL CG1 C 13 21.142 0.3 . 1 . . . . . 68 VAL CG1 . 51943 1 424 . 1 . 1 69 69 VAL CG2 C 13 20.281 0.3 . 1 . . . . . 68 VAL CG2 . 51943 1 425 . 1 . 1 69 69 VAL N N 15 128.265 0.3 . 1 . . . . . 68 VAL N . 51943 1 426 . 1 . 1 70 70 LEU H H 1 8.189 0.020 . 1 . . . . . 69 LEU H . 51943 1 427 . 1 . 1 70 70 LEU HD11 H 1 0.840 0.020 . 2 . . . . . 69 LEU HD1 . 51943 1 428 . 1 . 1 70 70 LEU HD12 H 1 0.840 0.020 . 2 . . . . . 69 LEU HD1 . 51943 1 429 . 1 . 1 70 70 LEU HD13 H 1 0.840 0.020 . 2 . . . . . 69 LEU HD1 . 51943 1 430 . 1 . 1 70 70 LEU HD21 H 1 0.710 0.020 . 2 . . . . . 69 LEU HD2 . 51943 1 431 . 1 . 1 70 70 LEU HD22 H 1 0.710 0.020 . 2 . . . . . 69 LEU HD2 . 51943 1 432 . 1 . 1 70 70 LEU HD23 H 1 0.710 0.020 . 2 . . . . . 69 LEU HD2 . 51943 1 433 . 1 . 1 70 70 LEU C C 13 175.025 0.3 . 1 . . . . . 69 LEU C . 51943 1 434 . 1 . 1 70 70 LEU CA C 13 52.760 0.3 . 1 . . . . . 69 LEU CA . 51943 1 435 . 1 . 1 70 70 LEU CB C 13 41.930 0.3 . 1 . . . . . 69 LEU CB . 51943 1 436 . 1 . 1 70 70 LEU CD1 C 13 23.263 0.3 . 1 . . . . . 69 LEU CD1 . 51943 1 437 . 1 . 1 70 70 LEU CD2 C 13 25.345 0.3 . 1 . . . . . 69 LEU CD2 . 51943 1 438 . 1 . 1 70 70 LEU N N 15 126.788 0.3 . 1 . . . . . 69 LEU N . 51943 1 439 . 1 . 1 71 71 PHE C C 13 175.385 0.3 . 1 . . . . . 70 PHE C . 51943 1 440 . 1 . 1 71 71 PHE CA C 13 56.069 0.3 . 1 . . . . . 70 PHE CA . 51943 1 441 . 1 . 1 71 71 PHE CB C 13 38.861 0.3 . 1 . . . . . 70 PHE CB . 51943 1 442 . 1 . 1 72 72 ALA H H 1 8.113 0.020 . 1 . . . . . 71 ALA H . 51943 1 443 . 1 . 1 72 72 ALA HB1 H 1 1.428 0.020 . 1 . . . . . 71 ALA HB . 51943 1 444 . 1 . 1 72 72 ALA HB2 H 1 1.428 0.020 . 1 . . . . . 71 ALA HB . 51943 1 445 . 1 . 1 72 72 ALA HB3 H 1 1.428 0.020 . 1 . . . . . 71 ALA HB . 51943 1 446 . 1 . 1 72 72 ALA C C 13 176.004 0.3 . 1 . . . . . 71 ALA C . 51943 1 447 . 1 . 1 72 72 ALA CA C 13 51.994 0.3 . 1 . . . . . 71 ALA CA . 51943 1 448 . 1 . 1 72 72 ALA CB C 13 18.331 0.3 . 1 . . . . . 71 ALA CB . 51943 1 449 . 1 . 1 72 72 ALA N N 15 123.006 0.3 . 1 . . . . . 71 ALA N . 51943 1 450 . 1 . 1 73 73 SER H H 1 7.954 0.020 . 1 . . . . . 72 SER H . 51943 1 451 . 1 . 1 73 73 SER C C 13 177.155 0.3 . 1 . . . . . 72 SER C . 51943 1 452 . 1 . 1 73 73 SER CA C 13 61.462 0.3 . 1 . . . . . 72 SER CA . 51943 1 453 . 1 . 1 73 73 SER CB C 13 69.209 0.3 . 1 . . . . . 72 SER CB . 51943 1 454 . 1 . 1 73 73 SER N N 15 113.968 0.3 . 1 . . . . . 72 SER N . 51943 1 455 . 1 . 1 74 74 THR H H 1 8.201 0.020 . 1 . . . . . 73 THR H . 51943 1 456 . 1 . 1 74 74 THR CA C 13 62.746 0.3 . 1 . . . . . 73 THR CA . 51943 1 457 . 1 . 1 74 74 THR CB C 13 69.543 0.3 . 1 . . . . . 73 THR CB . 51943 1 458 . 1 . 1 74 74 THR CG2 C 13 22.130 0.3 . 1 . . . . . 73 THR CG2 . 51943 1 459 . 1 . 1 74 74 THR N N 15 115.595 0.3 . 1 . . . . . 73 THR N . 51943 1 460 . 1 . 1 75 75 ASP C C 13 173.697 0.3 . 1 . . . . . 74 ASP C . 51943 1 461 . 1 . 1 75 75 ASP CA C 13 54.436 0.3 . 1 . . . . . 74 ASP CA . 51943 1 462 . 1 . 1 75 75 ASP CB C 13 42.419 0.3 . 1 . . . . . 74 ASP CB . 51943 1 463 . 1 . 1 76 76 SER H H 1 8.410 0.020 . 1 . . . . . 75 SER H . 51943 1 464 . 1 . 1 76 76 SER C C 13 175.905 0.3 . 1 . . . . . 75 SER C . 51943 1 465 . 1 . 1 76 76 SER CA C 13 57.111 0.3 . 1 . . . . . 75 SER CA . 51943 1 466 . 1 . 1 76 76 SER CB C 13 64.325 0.3 . 1 . . . . . 75 SER CB . 51943 1 467 . 1 . 1 76 76 SER N N 15 108.858 0.3 . 1 . . . . . 75 SER N . 51943 1 468 . 1 . 1 77 77 GLU H H 1 10.885 0.020 . 1 . . . . . 76 GLU H . 51943 1 469 . 1 . 1 77 77 GLU C C 13 177.057 0.3 . 1 . . . . . 76 GLU C . 51943 1 470 . 1 . 1 77 77 GLU CA C 13 58.741 0.3 . 1 . . . . . 76 GLU CA . 51943 1 471 . 1 . 1 77 77 GLU CB C 13 24.957 0.3 . 1 . . . . . 76 GLU CB . 51943 1 472 . 1 . 1 77 77 GLU N N 15 125.698 0.3 . 1 . . . . . 76 GLU N . 51943 1 473 . 1 . 1 78 78 TYR H H 1 7.347 0.020 . 1 . . . . . 77 TYR H . 51943 1 474 . 1 . 1 78 78 TYR C C 13 178.833 0.3 . 1 . . . . . 77 TYR C . 51943 1 475 . 1 . 1 78 78 TYR CA C 13 61.703 0.3 . 1 . . . . . 77 TYR CA . 51943 1 476 . 1 . 1 78 78 TYR CB C 13 37.107 0.3 . 1 . . . . . 77 TYR CB . 51943 1 477 . 1 . 1 78 78 TYR N N 15 119.832 0.3 . 1 . . . . . 77 TYR N . 51943 1 478 . 1 . 1 80 80 LEU HD11 H 1 0.776 0.020 . 2 . . . . . 79 LEU HD1 . 51943 1 479 . 1 . 1 80 80 LEU HD12 H 1 0.776 0.020 . 2 . . . . . 79 LEU HD1 . 51943 1 480 . 1 . 1 80 80 LEU HD13 H 1 0.776 0.020 . 2 . . . . . 79 LEU HD1 . 51943 1 481 . 1 . 1 80 80 LEU HD21 H 1 0.804 0.020 . 2 . . . . . 79 LEU HD2 . 51943 1 482 . 1 . 1 80 80 LEU HD22 H 1 0.804 0.020 . 2 . . . . . 79 LEU HD2 . 51943 1 483 . 1 . 1 80 80 LEU HD23 H 1 0.804 0.020 . 2 . . . . . 79 LEU HD2 . 51943 1 484 . 1 . 1 80 80 LEU CD1 C 13 23.906 0.3 . 1 . . . . . 79 LEU CD1 . 51943 1 485 . 1 . 1 80 80 LEU CD2 C 13 25.034 0.3 . 1 . . . . . 79 LEU CD2 . 51943 1 486 . 1 . 1 81 81 LEU HD11 H 1 0.628 0.020 . 2 . . . . . 80 LEU HD1 . 51943 1 487 . 1 . 1 81 81 LEU HD12 H 1 0.628 0.020 . 2 . . . . . 80 LEU HD1 . 51943 1 488 . 1 . 1 81 81 LEU HD13 H 1 0.628 0.020 . 2 . . . . . 80 LEU HD1 . 51943 1 489 . 1 . 1 81 81 LEU HD21 H 1 0.739 0.020 . 2 . . . . . 80 LEU HD2 . 51943 1 490 . 1 . 1 81 81 LEU HD22 H 1 0.739 0.020 . 2 . . . . . 80 LEU HD2 . 51943 1 491 . 1 . 1 81 81 LEU HD23 H 1 0.739 0.020 . 2 . . . . . 80 LEU HD2 . 51943 1 492 . 1 . 1 81 81 LEU CD1 C 13 22.627 0.3 . 1 . . . . . 80 LEU CD1 . 51943 1 493 . 1 . 1 81 81 LEU CD2 C 13 25.424 0.3 . 1 . . . . . 80 LEU CD2 . 51943 1 494 . 1 . 1 82 82 ALA C C 13 178.970 0.3 . 1 . . . . . 81 ALA C . 51943 1 495 . 1 . 1 82 82 ALA CA C 13 53.480 0.3 . 1 . . . . . 81 ALA CA . 51943 1 496 . 1 . 1 82 82 ALA CB C 13 19.728 0.3 . 1 . . . . . 81 ALA CB . 51943 1 497 . 1 . 1 83 83 TRP H H 1 8.899 0.020 . 1 . . . . . 82 TRP H . 51943 1 498 . 1 . 1 83 83 TRP C C 13 179.619 0.3 . 1 . . . . . 82 TRP C . 51943 1 499 . 1 . 1 83 83 TRP CA C 13 62.112 0.3 . 1 . . . . . 82 TRP CA . 51943 1 500 . 1 . 1 83 83 TRP CB C 13 33.477 0.3 . 1 . . . . . 82 TRP CB . 51943 1 501 . 1 . 1 83 83 TRP N N 15 125.575 0.3 . 1 . . . . . 82 TRP N . 51943 1 502 . 1 . 1 84 84 THR H H 1 7.707 0.020 . 1 . . . . . 83 THR H . 51943 1 503 . 1 . 1 84 84 THR C C 13 174.766 0.3 . 1 . . . . . 83 THR C . 51943 1 504 . 1 . 1 84 84 THR CA C 13 62.693 0.3 . 1 . . . . . 83 THR CA . 51943 1 505 . 1 . 1 84 84 THR CB C 13 69.352 0.3 . 1 . . . . . 83 THR CB . 51943 1 506 . 1 . 1 84 84 THR N N 15 108.640 0.3 . 1 . . . . . 83 THR N . 51943 1 507 . 1 . 1 85 85 ASN H H 1 7.468 0.020 . 1 . . . . . 84 ASN H . 51943 1 508 . 1 . 1 85 85 ASN C C 13 174.997 0.3 . 1 . . . . . 84 ASN C . 51943 1 509 . 1 . 1 85 85 ASN CA C 13 52.990 0.3 . 1 . . . . . 84 ASN CA . 51943 1 510 . 1 . 1 85 85 ASN CB C 13 38.952 0.3 . 1 . . . . . 84 ASN CB . 51943 1 511 . 1 . 1 85 85 ASN N N 15 119.260 0.3 . 1 . . . . . 84 ASN N . 51943 1 512 . 1 . 1 86 86 ILE H H 1 7.291 0.020 . 1 . . . . . 85 ILE H . 51943 1 513 . 1 . 1 86 86 ILE HD11 H 1 0.787 0.020 . 1 . . . . . 85 ILE HD1 . 51943 1 514 . 1 . 1 86 86 ILE HD12 H 1 0.787 0.020 . 1 . . . . . 85 ILE HD1 . 51943 1 515 . 1 . 1 86 86 ILE HD13 H 1 0.787 0.020 . 1 . . . . . 85 ILE HD1 . 51943 1 516 . 1 . 1 86 86 ILE C C 13 173.774 0.3 . 1 . . . . . 85 ILE C . 51943 1 517 . 1 . 1 86 86 ILE CA C 13 58.281 0.3 . 1 . . . . . 85 ILE CA . 51943 1 518 . 1 . 1 86 86 ILE CB C 13 38.882 0.3 . 1 . . . . . 85 ILE CB . 51943 1 519 . 1 . 1 86 86 ILE CD1 C 13 12.202 0.3 . 1 . . . . . 85 ILE CD1 . 51943 1 520 . 1 . 1 86 86 ILE N N 15 125.256 0.3 . 1 . . . . . 85 ILE N . 51943 1 521 . 1 . 1 88 88 ARG C C 13 176.362 0.3 . 1 . . . . . 87 ARG C . 51943 1 522 . 1 . 1 88 88 ARG CA C 13 58.083 0.3 . 1 . . . . . 87 ARG CA . 51943 1 523 . 1 . 1 89 89 LYS H H 1 8.153 0.020 . 1 . . . . . 88 LYS H . 51943 1 524 . 1 . 1 89 89 LYS C C 13 176.758 0.3 . 1 . . . . . 88 LYS C . 51943 1 525 . 1 . 1 89 89 LYS CA C 13 58.083 0.3 . 1 . . . . . 88 LYS CA . 51943 1 526 . 1 . 1 89 89 LYS CB C 13 30.956 0.3 . 1 . . . . . 88 LYS CB . 51943 1 527 . 1 . 1 89 89 LYS N N 15 116.646 0.3 . 1 . . . . . 88 LYS N . 51943 1 528 . 1 . 1 90 90 GLU H H 1 7.290 0.020 . 1 . . . . . 89 GLU H . 51943 1 529 . 1 . 1 90 90 GLU C C 13 175.946 0.3 . 1 . . . . . 89 GLU C . 51943 1 530 . 1 . 1 90 90 GLU CA C 13 54.613 0.3 . 1 . . . . . 89 GLU CA . 51943 1 531 . 1 . 1 90 90 GLU CB C 13 29.156 0.3 . 1 . . . . . 89 GLU CB . 51943 1 532 . 1 . 1 90 90 GLU N N 15 117.204 0.3 . 1 . . . . . 89 GLU N . 51943 1 533 . 1 . 1 91 91 GLY H H 1 7.727 0.020 . 1 . . . . . 90 GLY H . 51943 1 534 . 1 . 1 91 91 GLY C C 13 174.680 0.3 . 1 . . . . . 90 GLY C . 51943 1 535 . 1 . 1 91 91 GLY CA C 13 44.768 0.3 . 1 . . . . . 90 GLY CA . 51943 1 536 . 1 . 1 91 91 GLY N N 15 106.981 0.3 . 1 . . . . . 90 GLY N . 51943 1 537 . 1 . 1 92 92 GLY H H 1 7.621 0.020 . 1 . . . . . 91 GLY H . 51943 1 538 . 1 . 1 92 92 GLY C C 13 172.752 0.3 . 1 . . . . . 91 GLY C . 51943 1 539 . 1 . 1 92 92 GLY CA C 13 43.060 0.3 . 1 . . . . . 91 GLY CA . 51943 1 540 . 1 . 1 92 92 GLY N N 15 108.104 0.3 . 1 . . . . . 91 GLY N . 51943 1 541 . 1 . 1 93 93 LEU H H 1 7.051 0.020 . 1 . . . . . 92 LEU H . 51943 1 542 . 1 . 1 93 93 LEU HD11 H 1 0.802 0.020 . 2 . . . . . 92 LEU HD1 . 51943 1 543 . 1 . 1 93 93 LEU HD12 H 1 0.802 0.020 . 2 . . . . . 92 LEU HD1 . 51943 1 544 . 1 . 1 93 93 LEU HD13 H 1 0.802 0.020 . 2 . . . . . 92 LEU HD1 . 51943 1 545 . 1 . 1 93 93 LEU HD21 H 1 0.839 0.020 . 2 . . . . . 92 LEU HD2 . 51943 1 546 . 1 . 1 93 93 LEU HD22 H 1 0.839 0.020 . 2 . . . . . 92 LEU HD2 . 51943 1 547 . 1 . 1 93 93 LEU HD23 H 1 0.839 0.020 . 2 . . . . . 92 LEU HD2 . 51943 1 548 . 1 . 1 93 93 LEU C C 13 176.547 0.3 . 1 . . . . . 92 LEU C . 51943 1 549 . 1 . 1 93 93 LEU CA C 13 55.496 0.3 . 1 . . . . . 92 LEU CA . 51943 1 550 . 1 . 1 93 93 LEU CD1 C 13 23.702 0.3 . 1 . . . . . 92 LEU CD1 . 51943 1 551 . 1 . 1 93 93 LEU CD2 C 13 25.474 0.3 . 1 . . . . . 92 LEU CD2 . 51943 1 552 . 1 . 1 93 93 LEU N N 15 116.720 0.3 . 1 . . . . . 92 LEU N . 51943 1 553 . 1 . 1 94 94 GLY H H 1 7.886 0.020 . 1 . . . . . 93 GLY H . 51943 1 554 . 1 . 1 94 94 GLY C C 13 174.076 0.3 . 1 . . . . . 93 GLY C . 51943 1 555 . 1 . 1 94 94 GLY CA C 13 45.928 0.3 . 1 . . . . . 93 GLY CA . 51943 1 556 . 1 . 1 94 94 GLY N N 15 109.158 0.3 . 1 . . . . . 93 GLY N . 51943 1 557 . 1 . 1 95 95 PRO C C 13 176.745 0.3 . 1 . . . . . 94 PRO C . 51943 1 558 . 1 . 1 95 95 PRO CA C 13 61.885 0.3 . 1 . . . . . 94 PRO CA . 51943 1 559 . 1 . 1 95 95 PRO CB C 13 31.381 0.3 . 1 . . . . . 94 PRO CB . 51943 1 560 . 1 . 1 96 96 ILE H H 1 8.120 0.020 . 1 . . . . . 95 ILE H . 51943 1 561 . 1 . 1 96 96 ILE HD11 H 1 0.962 0.020 . 1 . . . . . 95 ILE HD1 . 51943 1 562 . 1 . 1 96 96 ILE HD12 H 1 0.962 0.020 . 1 . . . . . 95 ILE HD1 . 51943 1 563 . 1 . 1 96 96 ILE HD13 H 1 0.962 0.020 . 1 . . . . . 95 ILE HD1 . 51943 1 564 . 1 . 1 96 96 ILE C C 13 175.788 0.3 . 1 . . . . . 95 ILE C . 51943 1 565 . 1 . 1 96 96 ILE CA C 13 62.409 0.3 . 1 . . . . . 95 ILE CA . 51943 1 566 . 1 . 1 96 96 ILE CB C 13 34.937 0.3 . 1 . . . . . 95 ILE CB . 51943 1 567 . 1 . 1 96 96 ILE CD1 C 13 12.643 0.3 . 1 . . . . . 95 ILE CD1 . 51943 1 568 . 1 . 1 96 96 ILE N N 15 126.100 0.3 . 1 . . . . . 95 ILE N . 51943 1 569 . 1 . 1 97 97 ASN H H 1 8.862 0.020 . 1 . . . . . 96 ASN H . 51943 1 570 . 1 . 1 97 97 ASN C C 13 172.799 0.3 . 1 . . . . . 96 ASN C . 51943 1 571 . 1 . 1 97 97 ASN CA C 13 52.451 0.3 . 1 . . . . . 96 ASN CA . 51943 1 572 . 1 . 1 97 97 ASN CB C 13 39.896 0.3 . 1 . . . . . 96 ASN CB . 51943 1 573 . 1 . 1 97 97 ASN N N 15 128.086 0.3 . 1 . . . . . 96 ASN N . 51943 1 574 . 1 . 1 98 98 ILE H H 1 8.222 0.020 . 1 . . . . . 97 ILE H . 51943 1 575 . 1 . 1 98 98 ILE HD11 H 1 0.632 0.020 . 1 . . . . . 97 ILE HD1 . 51943 1 576 . 1 . 1 98 98 ILE HD12 H 1 0.632 0.020 . 1 . . . . . 97 ILE HD1 . 51943 1 577 . 1 . 1 98 98 ILE HD13 H 1 0.632 0.020 . 1 . . . . . 97 ILE HD1 . 51943 1 578 . 1 . 1 98 98 ILE CA C 13 62.506 0.3 . 1 . . . . . 97 ILE CA . 51943 1 579 . 1 . 1 98 98 ILE CB C 13 40.279 0.3 . 1 . . . . . 97 ILE CB . 51943 1 580 . 1 . 1 98 98 ILE CD1 C 13 14.048 0.3 . 1 . . . . . 97 ILE CD1 . 51943 1 581 . 1 . 1 98 98 ILE N N 15 115.121 0.3 . 1 . . . . . 97 ILE N . 51943 1 582 . 1 . 1 99 99 PRO C C 13 174.805 0.3 . 1 . . . . . 98 PRO C . 51943 1 583 . 1 . 1 99 99 PRO CA C 13 62.299 0.3 . 1 . . . . . 98 PRO CA . 51943 1 584 . 1 . 1 99 99 PRO CB C 13 32.317 0.3 . 1 . . . . . 98 PRO CB . 51943 1 585 . 1 . 1 100 100 LEU H H 1 7.729 0.020 . 1 . . . . . 99 LEU H . 51943 1 586 . 1 . 1 100 100 LEU HD21 H 1 0.747 0.020 . 1 . . . . . 99 LEU HD2 . 51943 1 587 . 1 . 1 100 100 LEU HD22 H 1 0.747 0.020 . 1 . . . . . 99 LEU HD2 . 51943 1 588 . 1 . 1 100 100 LEU HD23 H 1 0.747 0.020 . 1 . . . . . 99 LEU HD2 . 51943 1 589 . 1 . 1 100 100 LEU C C 13 175.241 0.3 . 1 . . . . . 99 LEU C . 51943 1 590 . 1 . 1 100 100 LEU CA C 13 52.186 0.3 . 1 . . . . . 99 LEU CA . 51943 1 591 . 1 . 1 100 100 LEU CB C 13 42.765 0.3 . 1 . . . . . 99 LEU CB . 51943 1 592 . 1 . 1 100 100 LEU CD2 C 13 24.563 0.3 . 1 . . . . . 99 LEU CD2 . 51943 1 593 . 1 . 1 100 100 LEU N N 15 122.209 0.3 . 1 . . . . . 99 LEU N . 51943 1 594 . 1 . 1 101 101 LEU H H 1 9.506 0.020 . 1 . . . . . 100 LEU H . 51943 1 595 . 1 . 1 101 101 LEU HD11 H 1 0.627 0.020 . 2 . . . . . 100 LEU HD1 . 51943 1 596 . 1 . 1 101 101 LEU HD12 H 1 0.627 0.020 . 2 . . . . . 100 LEU HD1 . 51943 1 597 . 1 . 1 101 101 LEU HD13 H 1 0.627 0.020 . 2 . . . . . 100 LEU HD1 . 51943 1 598 . 1 . 1 101 101 LEU HD21 H 1 0.512 0.020 . 2 . . . . . 100 LEU HD2 . 51943 1 599 . 1 . 1 101 101 LEU HD22 H 1 0.512 0.020 . 2 . . . . . 100 LEU HD2 . 51943 1 600 . 1 . 1 101 101 LEU HD23 H 1 0.512 0.020 . 2 . . . . . 100 LEU HD2 . 51943 1 601 . 1 . 1 101 101 LEU C C 13 174.349 0.3 . 1 . . . . . 100 LEU C . 51943 1 602 . 1 . 1 101 101 LEU CA C 13 55.395 0.3 . 1 . . . . . 100 LEU CA . 51943 1 603 . 1 . 1 101 101 LEU CB C 13 41.681 0.3 . 1 . . . . . 100 LEU CB . 51943 1 604 . 1 . 1 101 101 LEU CD1 C 13 25.164 0.3 . 1 . . . . . 100 LEU CD1 . 51943 1 605 . 1 . 1 101 101 LEU CD2 C 13 25.513 0.3 . 1 . . . . . 100 LEU CD2 . 51943 1 606 . 1 . 1 101 101 LEU N N 15 125.236 0.3 . 1 . . . . . 100 LEU N . 51943 1 607 . 1 . 1 102 102 ALA H H 1 8.454 0.020 . 1 . . . . . 101 ALA H . 51943 1 608 . 1 . 1 102 102 ALA HB1 H 1 1.424 0.020 . 1 . . . . . 101 ALA HB . 51943 1 609 . 1 . 1 102 102 ALA HB2 H 1 1.424 0.020 . 1 . . . . . 101 ALA HB . 51943 1 610 . 1 . 1 102 102 ALA HB3 H 1 1.424 0.020 . 1 . . . . . 101 ALA HB . 51943 1 611 . 1 . 1 102 102 ALA C C 13 176.680 0.3 . 1 . . . . . 101 ALA C . 51943 1 612 . 1 . 1 102 102 ALA CA C 13 50.146 0.3 . 1 . . . . . 101 ALA CA . 51943 1 613 . 1 . 1 102 102 ALA CB C 13 19.178 0.3 . 1 . . . . . 101 ALA CB . 51943 1 614 . 1 . 1 102 102 ALA N N 15 124.866 0.3 . 1 . . . . . 101 ALA N . 51943 1 615 . 1 . 1 103 103 ASP H H 1 9.554 0.020 . 1 . . . . . 102 ASP H . 51943 1 616 . 1 . 1 103 103 ASP C C 13 178.435 0.3 . 1 . . . . . 102 ASP C . 51943 1 617 . 1 . 1 103 103 ASP CA C 13 52.065 0.3 . 1 . . . . . 102 ASP CA . 51943 1 618 . 1 . 1 103 103 ASP CB C 13 40.281 0.3 . 1 . . . . . 102 ASP CB . 51943 1 619 . 1 . 1 103 103 ASP N N 15 127.620 0.3 . 1 . . . . . 102 ASP N . 51943 1 620 . 1 . 1 104 104 THR H H 1 7.721 0.020 . 1 . . . . . 103 THR H . 51943 1 621 . 1 . 1 104 104 THR HB H 1 4.262 0.020 . 1 . . . . . 103 THR HB . 51943 1 622 . 1 . 1 104 104 THR C C 13 175.802 0.3 . 1 . . . . . 103 THR C . 51943 1 623 . 1 . 1 104 104 THR CA C 13 64.460 0.3 . 1 . . . . . 103 THR CA . 51943 1 624 . 1 . 1 104 104 THR CB C 13 67.953 0.3 . 1 . . . . . 103 THR CB . 51943 1 625 . 1 . 1 104 104 THR N N 15 114.006 0.3 . 1 . . . . . 103 THR N . 51943 1 626 . 1 . 1 105 105 ASN H H 1 9.309 0.020 . 1 . . . . . 104 ASN H . 51943 1 627 . 1 . 1 105 105 ASN C C 13 177.682 0.3 . 1 . . . . . 104 ASN C . 51943 1 628 . 1 . 1 105 105 ASN CA C 13 57.351 0.3 . 1 . . . . . 104 ASN CA . 51943 1 629 . 1 . 1 105 105 ASN CB C 13 41.730 0.3 . 1 . . . . . 104 ASN CB . 51943 1 630 . 1 . 1 105 105 ASN N N 15 128.767 0.3 . 1 . . . . . 104 ASN N . 51943 1 631 . 1 . 1 106 106 HIS H H 1 8.120 0.020 . 1 . . . . . 105 HIS H . 51943 1 632 . 1 . 1 106 106 HIS C C 13 176.055 0.3 . 1 . . . . . 105 HIS C . 51943 1 633 . 1 . 1 106 106 HIS CA C 13 56.081 0.3 . 1 . . . . . 105 HIS CA . 51943 1 634 . 1 . 1 106 106 HIS CB C 13 29.462 0.3 . 1 . . . . . 105 HIS CB . 51943 1 635 . 1 . 1 106 106 HIS N N 15 122.956 0.3 . 1 . . . . . 105 HIS N . 51943 1 636 . 1 . 1 107 107 SER C C 13 175.716 0.3 . 1 . . . . . 106 SER C . 51943 1 637 . 1 . 1 107 107 SER CA C 13 61.685 0.3 . 1 . . . . . 106 SER CA . 51943 1 638 . 1 . 1 107 107 SER CB C 13 63.476 0.3 . 1 . . . . . 106 SER CB . 51943 1 639 . 1 . 1 108 108 LEU H H 1 9.252 0.020 . 1 . . . . . 107 LEU H . 51943 1 640 . 1 . 1 108 108 LEU HD11 H 1 0.002 0.020 . 2 . . . . . 107 LEU HD1 . 51943 1 641 . 1 . 1 108 108 LEU HD12 H 1 0.002 0.020 . 2 . . . . . 107 LEU HD1 . 51943 1 642 . 1 . 1 108 108 LEU HD13 H 1 0.002 0.020 . 2 . . . . . 107 LEU HD1 . 51943 1 643 . 1 . 1 108 108 LEU HD21 H 1 -0.010 0.020 . 2 . . . . . 107 LEU HD2 . 51943 1 644 . 1 . 1 108 108 LEU HD22 H 1 -0.010 0.020 . 2 . . . . . 107 LEU HD2 . 51943 1 645 . 1 . 1 108 108 LEU HD23 H 1 -0.010 0.020 . 2 . . . . . 107 LEU HD2 . 51943 1 646 . 1 . 1 108 108 LEU C C 13 178.737 0.3 . 1 . . . . . 107 LEU C . 51943 1 647 . 1 . 1 108 108 LEU CA C 13 57.362 0.3 . 1 . . . . . 107 LEU CA . 51943 1 648 . 1 . 1 108 108 LEU CB C 13 41.719 0.3 . 1 . . . . . 107 LEU CB . 51943 1 649 . 1 . 1 108 108 LEU CD1 C 13 22.147 0.3 . 1 . . . . . 107 LEU CD1 . 51943 1 650 . 1 . 1 108 108 LEU CD2 C 13 25.370 0.3 . 1 . . . . . 107 LEU CD2 . 51943 1 651 . 1 . 1 108 108 LEU N N 15 128.718 0.3 . 1 . . . . . 107 LEU N . 51943 1 652 . 1 . 1 109 109 SER H H 1 9.650 0.020 . 1 . . . . . 108 SER H . 51943 1 653 . 1 . 1 109 109 SER C C 13 176.587 0.3 . 1 . . . . . 108 SER C . 51943 1 654 . 1 . 1 109 109 SER CA C 13 61.675 0.3 . 1 . . . . . 108 SER CA . 51943 1 655 . 1 . 1 109 109 SER CB C 13 62.755 0.3 . 1 . . . . . 108 SER CB . 51943 1 656 . 1 . 1 109 109 SER N N 15 117.929 0.3 . 1 . . . . . 108 SER N . 51943 1 657 . 1 . 1 110 110 ARG H H 1 8.204 0.020 . 1 . . . . . 109 ARG H . 51943 1 658 . 1 . 1 110 110 ARG C C 13 180.435 0.3 . 1 . . . . . 109 ARG C . 51943 1 659 . 1 . 1 110 110 ARG CA C 13 58.846 0.3 . 1 . . . . . 109 ARG CA . 51943 1 660 . 1 . 1 110 110 ARG CB C 13 29.317 0.3 . 1 . . . . . 109 ARG CB . 51943 1 661 . 1 . 1 110 110 ARG N N 15 121.460 0.3 . 1 . . . . . 109 ARG N . 51943 1 662 . 1 . 1 111 111 ASP H H 1 8.264 0.020 . 1 . . . . . 110 ASP H . 51943 1 663 . 1 . 1 111 111 ASP C C 13 177.558 0.3 . 1 . . . . . 110 ASP C . 51943 1 664 . 1 . 1 111 111 ASP CA C 13 57.005 0.3 . 1 . . . . . 110 ASP CA . 51943 1 665 . 1 . 1 111 111 ASP CB C 13 39.169 0.3 . 1 . . . . . 110 ASP CB . 51943 1 666 . 1 . 1 111 111 ASP N N 15 122.915 0.3 . 1 . . . . . 110 ASP N . 51943 1 667 . 1 . 1 112 112 TYR H H 1 7.950 0.020 . 1 . . . . . 111 TYR H . 51943 1 668 . 1 . 1 112 112 TYR C C 13 175.515 0.3 . 1 . . . . . 111 TYR C . 51943 1 669 . 1 . 1 112 112 TYR CA C 13 58.677 0.3 . 1 . . . . . 111 TYR CA . 51943 1 670 . 1 . 1 112 112 TYR CB C 13 36.023 0.3 . 1 . . . . . 111 TYR CB . 51943 1 671 . 1 . 1 112 112 TYR N N 15 116.226 0.3 . 1 . . . . . 111 TYR N . 51943 1 672 . 1 . 1 113 113 GLY H H 1 7.517 0.020 . 1 . . . . . 112 GLY H . 51943 1 673 . 1 . 1 113 113 GLY C C 13 174.220 0.3 . 1 . . . . . 112 GLY C . 51943 1 674 . 1 . 1 113 113 GLY CA C 13 45.774 0.3 . 1 . . . . . 112 GLY CA . 51943 1 675 . 1 . 1 113 113 GLY N N 15 106.647 0.3 . 1 . . . . . 112 GLY N . 51943 1 676 . 1 . 1 114 114 VAL H H 1 6.761 0.020 . 1 . . . . . 113 VAL H . 51943 1 677 . 1 . 1 114 114 VAL HG11 H 1 0.972 0.020 . 2 . . . . . 113 VAL HG1 . 51943 1 678 . 1 . 1 114 114 VAL HG12 H 1 0.972 0.020 . 2 . . . . . 113 VAL HG1 . 51943 1 679 . 1 . 1 114 114 VAL HG13 H 1 0.972 0.020 . 2 . . . . . 113 VAL HG1 . 51943 1 680 . 1 . 1 114 114 VAL HG21 H 1 0.942 0.020 . 2 . . . . . 113 VAL HG2 . 51943 1 681 . 1 . 1 114 114 VAL HG22 H 1 0.942 0.020 . 2 . . . . . 113 VAL HG2 . 51943 1 682 . 1 . 1 114 114 VAL HG23 H 1 0.942 0.020 . 2 . . . . . 113 VAL HG2 . 51943 1 683 . 1 . 1 114 114 VAL C C 13 175.586 0.3 . 1 . . . . . 113 VAL C . 51943 1 684 . 1 . 1 114 114 VAL CA C 13 57.556 0.3 . 1 . . . . . 113 VAL CA . 51943 1 685 . 1 . 1 114 114 VAL CB C 13 30.804 0.3 . 1 . . . . . 113 VAL CB . 51943 1 686 . 1 . 1 114 114 VAL CG1 C 13 22.575 0.3 . 1 . . . . . 113 VAL CG1 . 51943 1 687 . 1 . 1 114 114 VAL CG2 C 13 23.108 0.3 . 1 . . . . . 113 VAL CG2 . 51943 1 688 . 1 . 1 114 114 VAL N N 15 120.359 0.3 . 1 . . . . . 113 VAL N . 51943 1 689 . 1 . 1 115 115 LEU H H 1 6.738 0.020 . 1 . . . . . 114 LEU H . 51943 1 690 . 1 . 1 115 115 LEU HD11 H 1 0.026 0.020 . 2 . . . . . 114 LEU HD1 . 51943 1 691 . 1 . 1 115 115 LEU HD12 H 1 0.026 0.020 . 2 . . . . . 114 LEU HD1 . 51943 1 692 . 1 . 1 115 115 LEU HD13 H 1 0.026 0.020 . 2 . . . . . 114 LEU HD1 . 51943 1 693 . 1 . 1 115 115 LEU HD21 H 1 0.212 0.020 . 2 . . . . . 114 LEU HD2 . 51943 1 694 . 1 . 1 115 115 LEU HD22 H 1 0.212 0.020 . 2 . . . . . 114 LEU HD2 . 51943 1 695 . 1 . 1 115 115 LEU HD23 H 1 0.212 0.020 . 2 . . . . . 114 LEU HD2 . 51943 1 696 . 1 . 1 115 115 LEU C C 13 172.746 0.3 . 1 . . . . . 114 LEU C . 51943 1 697 . 1 . 1 115 115 LEU CA C 13 53.671 0.3 . 1 . . . . . 114 LEU CA . 51943 1 698 . 1 . 1 115 115 LEU CB C 13 44.708 0.3 . 1 . . . . . 114 LEU CB . 51943 1 699 . 1 . 1 115 115 LEU CD1 C 13 24.005 0.3 . 1 . . . . . 114 LEU CD1 . 51943 1 700 . 1 . 1 115 115 LEU CD2 C 13 24.554 0.3 . 1 . . . . . 114 LEU CD2 . 51943 1 701 . 1 . 1 115 115 LEU N N 15 121.721 0.3 . 1 . . . . . 114 LEU N . 51943 1 702 . 1 . 1 116 116 ILE H H 1 8.653 0.020 . 1 . . . . . 115 ILE H . 51943 1 703 . 1 . 1 116 116 ILE HD11 H 1 0.773 0.020 . 1 . . . . . 115 ILE HD1 . 51943 1 704 . 1 . 1 116 116 ILE HD12 H 1 0.773 0.020 . 1 . . . . . 115 ILE HD1 . 51943 1 705 . 1 . 1 116 116 ILE HD13 H 1 0.773 0.020 . 1 . . . . . 115 ILE HD1 . 51943 1 706 . 1 . 1 116 116 ILE C C 13 176.910 0.3 . 1 . . . . . 115 ILE C . 51943 1 707 . 1 . 1 116 116 ILE CA C 13 59.997 0.3 . 1 . . . . . 115 ILE CA . 51943 1 708 . 1 . 1 116 116 ILE CB C 13 37.103 0.3 . 1 . . . . . 115 ILE CB . 51943 1 709 . 1 . 1 116 116 ILE CD1 C 13 12.627 0.3 . 1 . . . . . 115 ILE CD1 . 51943 1 710 . 1 . 1 116 116 ILE N N 15 127.511 0.3 . 1 . . . . . 115 ILE N . 51943 1 711 . 1 . 1 117 117 GLU H H 1 7.767 0.020 . 1 . . . . . 116 GLU H . 51943 1 712 . 1 . 1 117 117 GLU C C 13 174.997 0.3 . 1 . . . . . 116 GLU C . 51943 1 713 . 1 . 1 117 117 GLU CA C 13 54.851 0.3 . 1 . . . . . 116 GLU CA . 51943 1 714 . 1 . 1 117 117 GLU CB C 13 32.755 0.3 . 1 . . . . . 116 GLU CB . 51943 1 715 . 1 . 1 117 117 GLU N N 15 119.889 0.3 . 1 . . . . . 116 GLU N . 51943 1 716 . 1 . 1 118 118 GLU H H 1 8.224 0.020 . 1 . . . . . 117 GLU H . 51943 1 717 . 1 . 1 118 118 GLU C C 13 176.709 0.3 . 1 . . . . . 117 GLU C . 51943 1 718 . 1 . 1 118 118 GLU CA C 13 54.847 0.3 . 1 . . . . . 117 GLU CA . 51943 1 719 . 1 . 1 118 118 GLU CB C 13 31.235 0.3 . 1 . . . . . 117 GLU CB . 51943 1 720 . 1 . 1 118 118 GLU N N 15 123.467 0.3 . 1 . . . . . 117 GLU N . 51943 1 721 . 1 . 1 119 119 GLU H H 1 7.463 0.020 . 1 . . . . . 118 GLU H . 51943 1 722 . 1 . 1 119 119 GLU C C 13 175.845 0.3 . 1 . . . . . 118 GLU C . 51943 1 723 . 1 . 1 119 119 GLU CA C 13 54.622 0.3 . 1 . . . . . 118 GLU CA . 51943 1 724 . 1 . 1 119 119 GLU CB C 13 29.336 0.3 . 1 . . . . . 118 GLU CB . 51943 1 725 . 1 . 1 119 119 GLU N N 15 117.166 0.3 . 1 . . . . . 118 GLU N . 51943 1 726 . 1 . 1 120 120 GLY H H 1 7.744 0.020 . 1 . . . . . 119 GLY H . 51943 1 727 . 1 . 1 120 120 GLY C C 13 174.666 0.3 . 1 . . . . . 119 GLY C . 51943 1 728 . 1 . 1 120 120 GLY CA C 13 44.778 0.3 . 1 . . . . . 119 GLY CA . 51943 1 729 . 1 . 1 120 120 GLY N N 15 106.845 0.3 . 1 . . . . . 119 GLY N . 51943 1 730 . 1 . 1 121 121 VAL HG11 H 1 0.905 0.020 . 2 . . . . . 120 VAL HG1 . 51943 1 731 . 1 . 1 121 121 VAL HG12 H 1 0.905 0.020 . 2 . . . . . 120 VAL HG1 . 51943 1 732 . 1 . 1 121 121 VAL HG13 H 1 0.905 0.020 . 2 . . . . . 120 VAL HG1 . 51943 1 733 . 1 . 1 121 121 VAL HG21 H 1 0.870 0.020 . 2 . . . . . 120 VAL HG2 . 51943 1 734 . 1 . 1 121 121 VAL HG22 H 1 0.870 0.020 . 2 . . . . . 120 VAL HG2 . 51943 1 735 . 1 . 1 121 121 VAL HG23 H 1 0.870 0.020 . 2 . . . . . 120 VAL HG2 . 51943 1 736 . 1 . 1 121 121 VAL C C 13 174.475 0.3 . 1 . . . . . 120 VAL C . 51943 1 737 . 1 . 1 121 121 VAL CA C 13 61.748 0.3 . 1 . . . . . 120 VAL CA . 51943 1 738 . 1 . 1 121 121 VAL CB C 13 32.242 0.3 . 1 . . . . . 120 VAL CB . 51943 1 739 . 1 . 1 121 121 VAL CG1 C 13 20.461 0.3 . 1 . . . . . 120 VAL CG1 . 51943 1 740 . 1 . 1 121 121 VAL CG2 C 13 20.424 0.3 . 1 . . . . . 120 VAL CG2 . 51943 1 741 . 1 . 1 122 122 ALA H H 1 8.127 0.020 . 1 . . . . . 121 ALA H . 51943 1 742 . 1 . 1 122 122 ALA C C 13 175.169 0.3 . 1 . . . . . 121 ALA C . 51943 1 743 . 1 . 1 122 122 ALA CA C 13 52.007 0.3 . 1 . . . . . 121 ALA CA . 51943 1 744 . 1 . 1 122 122 ALA CB C 13 18.338 0.3 . 1 . . . . . 121 ALA CB . 51943 1 745 . 1 . 1 122 122 ALA N N 15 123.229 0.3 . 1 . . . . . 121 ALA N . 51943 1 746 . 1 . 1 123 123 LEU HD11 H 1 0.778 0.020 . 2 . . . . . 122 LEU HD1 . 51943 1 747 . 1 . 1 123 123 LEU HD12 H 1 0.778 0.020 . 2 . . . . . 122 LEU HD1 . 51943 1 748 . 1 . 1 123 123 LEU HD13 H 1 0.778 0.020 . 2 . . . . . 122 LEU HD1 . 51943 1 749 . 1 . 1 123 123 LEU HD21 H 1 0.768 0.020 . 2 . . . . . 122 LEU HD2 . 51943 1 750 . 1 . 1 123 123 LEU HD22 H 1 0.768 0.020 . 2 . . . . . 122 LEU HD2 . 51943 1 751 . 1 . 1 123 123 LEU HD23 H 1 0.768 0.020 . 2 . . . . . 122 LEU HD2 . 51943 1 752 . 1 . 1 123 123 LEU C C 13 173.604 0.3 . 1 . . . . . 122 LEU C . 51943 1 753 . 1 . 1 123 123 LEU CA C 13 54.052 0.3 . 1 . . . . . 122 LEU CA . 51943 1 754 . 1 . 1 123 123 LEU CB C 13 40.471 0.3 . 1 . . . . . 122 LEU CB . 51943 1 755 . 1 . 1 123 123 LEU CD1 C 13 23.145 0.3 . 1 . . . . . 122 LEU CD1 . 51943 1 756 . 1 . 1 123 123 LEU CD2 C 13 25.388 0.3 . 1 . . . . . 122 LEU CD2 . 51943 1 757 . 1 . 1 124 124 ARG H H 1 8.324 0.020 . 1 . . . . . 123 ARG H . 51943 1 758 . 1 . 1 124 124 ARG C C 13 177.642 0.3 . 1 . . . . . 123 ARG C . 51943 1 759 . 1 . 1 124 124 ARG CA C 13 54.247 0.3 . 1 . . . . . 123 ARG CA . 51943 1 760 . 1 . 1 124 124 ARG CB C 13 33.216 0.3 . 1 . . . . . 123 ARG CB . 51943 1 761 . 1 . 1 124 124 ARG N N 15 121.291 0.3 . 1 . . . . . 123 ARG N . 51943 1 762 . 1 . 1 125 125 GLY H H 1 7.296 0.020 . 1 . . . . . 124 GLY H . 51943 1 763 . 1 . 1 125 125 GLY C C 13 180.421 0.3 . 1 . . . . . 124 GLY C . 51943 1 764 . 1 . 1 125 125 GLY CA C 13 44.665 0.3 . 1 . . . . . 124 GLY CA . 51943 1 765 . 1 . 1 125 125 GLY N N 15 103.747 0.3 . 1 . . . . . 124 GLY N . 51943 1 766 . 1 . 1 126 126 LEU HD11 H 1 0.948 0.020 . 2 . . . . . 125 LEU HD1 . 51943 1 767 . 1 . 1 126 126 LEU HD12 H 1 0.948 0.020 . 2 . . . . . 125 LEU HD1 . 51943 1 768 . 1 . 1 126 126 LEU HD13 H 1 0.948 0.020 . 2 . . . . . 125 LEU HD1 . 51943 1 769 . 1 . 1 126 126 LEU HD21 H 1 0.866 0.020 . 2 . . . . . 125 LEU HD2 . 51943 1 770 . 1 . 1 126 126 LEU HD22 H 1 0.866 0.020 . 2 . . . . . 125 LEU HD2 . 51943 1 771 . 1 . 1 126 126 LEU HD23 H 1 0.866 0.020 . 2 . . . . . 125 LEU HD2 . 51943 1 772 . 1 . 1 126 126 LEU CD1 C 13 24.873 0.3 . 1 . . . . . 125 LEU CD1 . 51943 1 773 . 1 . 1 126 126 LEU CD2 C 13 24.965 0.3 . 1 . . . . . 125 LEU CD2 . 51943 1 774 . 1 . 1 128 128 ILE HD11 H 1 1.005 0.020 . 1 . . . . . 127 ILE HD1 . 51943 1 775 . 1 . 1 128 128 ILE HD12 H 1 1.005 0.020 . 1 . . . . . 127 ILE HD1 . 51943 1 776 . 1 . 1 128 128 ILE HD13 H 1 1.005 0.020 . 1 . . . . . 127 ILE HD1 . 51943 1 777 . 1 . 1 128 128 ILE CD1 C 13 13.183 0.3 . 1 . . . . . 127 ILE CD1 . 51943 1 778 . 1 . 1 129 129 ILE HD11 H 1 1.027 0.020 . 1 . . . . . 128 ILE HD1 . 51943 1 779 . 1 . 1 129 129 ILE HD12 H 1 1.027 0.020 . 1 . . . . . 128 ILE HD1 . 51943 1 780 . 1 . 1 129 129 ILE HD13 H 1 1.027 0.020 . 1 . . . . . 128 ILE HD1 . 51943 1 781 . 1 . 1 129 129 ILE CD1 C 13 14.248 0.3 . 1 . . . . . 128 ILE CD1 . 51943 1 782 . 1 . 1 131 131 PRO C C 13 177.827 0.3 . 1 . . . . . 130 PRO C . 51943 1 783 . 1 . 1 131 131 PRO CA C 13 64.249 0.3 . 1 . . . . . 130 PRO CA . 51943 1 784 . 1 . 1 131 131 PRO CB C 13 31.868 0.3 . 1 . . . . . 130 PRO CB . 51943 1 785 . 1 . 1 132 132 LYS H H 1 7.910 0.020 . 1 . . . . . 131 LYS H . 51943 1 786 . 1 . 1 132 132 LYS C C 13 176.896 0.3 . 1 . . . . . 131 LYS C . 51943 1 787 . 1 . 1 132 132 LYS CA C 13 55.197 0.3 . 1 . . . . . 131 LYS CA . 51943 1 788 . 1 . 1 132 132 LYS CB C 13 31.047 0.3 . 1 . . . . . 131 LYS CB . 51943 1 789 . 1 . 1 132 132 LYS N N 15 116.040 0.3 . 1 . . . . . 131 LYS N . 51943 1 790 . 1 . 1 133 133 GLY H H 1 8.548 0.020 . 1 . . . . . 132 GLY H . 51943 1 791 . 1 . 1 133 133 GLY C C 13 172.954 0.3 . 1 . . . . . 132 GLY C . 51943 1 792 . 1 . 1 133 133 GLY CA C 13 44.826 0.3 . 1 . . . . . 132 GLY CA . 51943 1 793 . 1 . 1 133 133 GLY N N 15 109.634 0.3 . 1 . . . . . 132 GLY N . 51943 1 794 . 1 . 1 134 134 VAL H H 1 8.238 0.020 . 1 . . . . . 133 VAL H . 51943 1 795 . 1 . 1 134 134 VAL HG11 H 1 0.585 0.020 . 2 . . . . . 133 VAL HG1 . 51943 1 796 . 1 . 1 134 134 VAL HG12 H 1 0.585 0.020 . 2 . . . . . 133 VAL HG1 . 51943 1 797 . 1 . 1 134 134 VAL HG13 H 1 0.585 0.020 . 2 . . . . . 133 VAL HG1 . 51943 1 798 . 1 . 1 134 134 VAL HG21 H 1 0.732 0.020 . 2 . . . . . 133 VAL HG2 . 51943 1 799 . 1 . 1 134 134 VAL HG22 H 1 0.732 0.020 . 2 . . . . . 133 VAL HG2 . 51943 1 800 . 1 . 1 134 134 VAL HG23 H 1 0.732 0.020 . 2 . . . . . 133 VAL HG2 . 51943 1 801 . 1 . 1 134 134 VAL C C 13 176.723 0.3 . 1 . . . . . 133 VAL C . 51943 1 802 . 1 . 1 134 134 VAL CA C 13 61.722 0.3 . 1 . . . . . 133 VAL CA . 51943 1 803 . 1 . 1 134 134 VAL CB C 13 31.420 0.3 . 1 . . . . . 133 VAL CB . 51943 1 804 . 1 . 1 134 134 VAL CG1 C 13 20.005 0.3 . 1 . . . . . 133 VAL CG1 . 51943 1 805 . 1 . 1 134 134 VAL CG2 C 13 21.917 0.3 . 1 . . . . . 133 VAL CG2 . 51943 1 806 . 1 . 1 134 134 VAL N N 15 124.134 0.3 . 1 . . . . . 133 VAL N . 51943 1 807 . 1 . 1 135 135 ILE HD11 H 1 1.071 0.020 . 1 . . . . . 134 ILE HD1 . 51943 1 808 . 1 . 1 135 135 ILE HD12 H 1 1.071 0.020 . 1 . . . . . 134 ILE HD1 . 51943 1 809 . 1 . 1 135 135 ILE HD13 H 1 1.071 0.020 . 1 . . . . . 134 ILE HD1 . 51943 1 810 . 1 . 1 135 135 ILE C C 13 176.244 0.3 . 1 . . . . . 134 ILE C . 51943 1 811 . 1 . 1 135 135 ILE CA C 13 57.752 0.3 . 1 . . . . . 134 ILE CA . 51943 1 812 . 1 . 1 135 135 ILE CB C 13 36.692 0.3 . 1 . . . . . 134 ILE CB . 51943 1 813 . 1 . 1 135 135 ILE CD1 C 13 13.951 0.3 . 1 . . . . . 134 ILE CD1 . 51943 1 814 . 1 . 1 136 136 ARG H H 1 7.634 0.020 . 1 . . . . . 135 ARG H . 51943 1 815 . 1 . 1 136 136 ARG C C 13 174.595 0.3 . 1 . . . . . 135 ARG C . 51943 1 816 . 1 . 1 136 136 ARG CA C 13 55.452 0.3 . 1 . . . . . 135 ARG CA . 51943 1 817 . 1 . 1 136 136 ARG CB C 13 26.482 0.3 . 1 . . . . . 135 ARG CB . 51943 1 818 . 1 . 1 136 136 ARG N N 15 111.972 0.3 . 1 . . . . . 135 ARG N . 51943 1 819 . 1 . 1 137 137 HIS H H 1 8.219 0.020 . 1 . . . . . 136 HIS H . 51943 1 820 . 1 . 1 137 137 HIS CA C 13 61.675 0.3 . 1 . . . . . 136 HIS CA . 51943 1 821 . 1 . 1 137 137 HIS CB C 13 26.600 0.3 . 1 . . . . . 136 HIS CB . 51943 1 822 . 1 . 1 137 137 HIS N N 15 118.347 0.3 . 1 . . . . . 136 HIS N . 51943 1 823 . 1 . 1 138 138 ILE HD11 H 1 0.883 0.020 . 1 . . . . . 137 ILE HD1 . 51943 1 824 . 1 . 1 138 138 ILE HD12 H 1 0.883 0.020 . 1 . . . . . 137 ILE HD1 . 51943 1 825 . 1 . 1 138 138 ILE HD13 H 1 0.883 0.020 . 1 . . . . . 137 ILE HD1 . 51943 1 826 . 1 . 1 138 138 ILE C C 13 176.442 0.3 . 1 . . . . . 137 ILE C . 51943 1 827 . 1 . 1 138 138 ILE CA C 13 63.254 0.3 . 1 . . . . . 137 ILE CA . 51943 1 828 . 1 . 1 138 138 ILE CB C 13 39.127 0.3 . 1 . . . . . 137 ILE CB . 51943 1 829 . 1 . 1 138 138 ILE CD1 C 13 13.460 0.3 . 1 . . . . . 137 ILE CD1 . 51943 1 830 . 1 . 1 139 139 THR H H 1 7.676 0.020 . 1 . . . . . 138 THR H . 51943 1 831 . 1 . 1 139 139 THR C C 13 179.342 0.3 . 1 . . . . . 138 THR C . 51943 1 832 . 1 . 1 139 139 THR CA C 13 62.921 0.3 . 1 . . . . . 138 THR CA . 51943 1 833 . 1 . 1 139 139 THR CB C 13 70.223 0.3 . 1 . . . . . 138 THR CB . 51943 1 834 . 1 . 1 139 139 THR N N 15 119.895 0.3 . 1 . . . . . 138 THR N . 51943 1 835 . 1 . 1 140 140 ILE H H 1 7.951 0.020 . 1 . . . . . 139 ILE H . 51943 1 836 . 1 . 1 140 140 ILE HD11 H 1 0.856 0.020 . 1 . . . . . 139 ILE HD1 . 51943 1 837 . 1 . 1 140 140 ILE HD12 H 1 0.856 0.020 . 1 . . . . . 139 ILE HD1 . 51943 1 838 . 1 . 1 140 140 ILE HD13 H 1 0.856 0.020 . 1 . . . . . 139 ILE HD1 . 51943 1 839 . 1 . 1 140 140 ILE C C 13 174.709 0.3 . 1 . . . . . 139 ILE C . 51943 1 840 . 1 . 1 140 140 ILE CA C 13 53.223 0.3 . 1 . . . . . 139 ILE CA . 51943 1 841 . 1 . 1 140 140 ILE CB C 13 33.009 0.3 . 1 . . . . . 139 ILE CB . 51943 1 842 . 1 . 1 140 140 ILE CD1 C 13 13.280 0.3 . 1 . . . . . 139 ILE CD1 . 51943 1 843 . 1 . 1 140 140 ILE N N 15 124.914 0.3 . 1 . . . . . 139 ILE N . 51943 1 844 . 1 . 1 141 141 ASN H H 1 7.793 0.020 . 1 . . . . . 140 ASN H . 51943 1 845 . 1 . 1 141 141 ASN C C 13 179.068 0.3 . 1 . . . . . 140 ASN C . 51943 1 846 . 1 . 1 141 141 ASN CA C 13 57.086 0.3 . 1 . . . . . 140 ASN CA . 51943 1 847 . 1 . 1 141 141 ASN CB C 13 39.409 0.3 . 1 . . . . . 140 ASN CB . 51943 1 848 . 1 . 1 141 141 ASN N N 15 119.092 0.3 . 1 . . . . . 140 ASN N . 51943 1 849 . 1 . 1 142 142 ASP H H 1 8.154 0.020 . 1 . . . . . 141 ASP H . 51943 1 850 . 1 . 1 142 142 ASP C C 13 176.176 0.3 . 1 . . . . . 141 ASP C . 51943 1 851 . 1 . 1 142 142 ASP CA C 13 54.123 0.3 . 1 . . . . . 141 ASP CA . 51943 1 852 . 1 . 1 142 142 ASP CB C 13 40.656 0.3 . 1 . . . . . 141 ASP CB . 51943 1 853 . 1 . 1 142 142 ASP N N 15 121.343 0.3 . 1 . . . . . 141 ASP N . 51943 1 854 . 1 . 1 143 143 LEU H H 1 8.224 0.020 . 1 . . . . . 142 LEU H . 51943 1 855 . 1 . 1 143 143 LEU HD11 H 1 0.085 0.020 . 2 . . . . . 142 LEU HD1 . 51943 1 856 . 1 . 1 143 143 LEU HD12 H 1 0.085 0.020 . 2 . . . . . 142 LEU HD1 . 51943 1 857 . 1 . 1 143 143 LEU HD13 H 1 0.085 0.020 . 2 . . . . . 142 LEU HD1 . 51943 1 858 . 1 . 1 143 143 LEU HD21 H 1 0.329 0.020 . 2 . . . . . 142 LEU HD2 . 51943 1 859 . 1 . 1 143 143 LEU HD22 H 1 0.329 0.020 . 2 . . . . . 142 LEU HD2 . 51943 1 860 . 1 . 1 143 143 LEU HD23 H 1 0.329 0.020 . 2 . . . . . 142 LEU HD2 . 51943 1 861 . 1 . 1 143 143 LEU CA C 13 54.121 0.3 . 1 . . . . . 142 LEU CA . 51943 1 862 . 1 . 1 143 143 LEU CB C 13 40.619 0.3 . 1 . . . . . 142 LEU CB . 51943 1 863 . 1 . 1 143 143 LEU CD1 C 13 22.760 0.3 . 1 . . . . . 142 LEU CD1 . 51943 1 864 . 1 . 1 143 143 LEU CD2 C 13 23.365 0.3 . 1 . . . . . 142 LEU CD2 . 51943 1 865 . 1 . 1 143 143 LEU N N 15 120.782 0.3 . 1 . . . . . 142 LEU N . 51943 1 866 . 1 . 1 144 144 PRO C C 13 176.594 0.3 . 1 . . . . . 143 PRO C . 51943 1 867 . 1 . 1 144 144 PRO CA C 13 60.995 0.3 . 1 . . . . . 143 PRO CA . 51943 1 868 . 1 . 1 144 144 PRO CB C 13 31.362 0.3 . 1 . . . . . 143 PRO CB . 51943 1 869 . 1 . 1 145 145 VAL H H 1 9.208 0.020 . 1 . . . . . 144 VAL H . 51943 1 870 . 1 . 1 145 145 VAL HG11 H 1 0.852 0.020 . 2 . . . . . 144 VAL HG1 . 51943 1 871 . 1 . 1 145 145 VAL HG12 H 1 0.852 0.020 . 2 . . . . . 144 VAL HG1 . 51943 1 872 . 1 . 1 145 145 VAL HG13 H 1 0.852 0.020 . 2 . . . . . 144 VAL HG1 . 51943 1 873 . 1 . 1 145 145 VAL HG21 H 1 0.890 0.020 . 2 . . . . . 144 VAL HG2 . 51943 1 874 . 1 . 1 145 145 VAL HG22 H 1 0.890 0.020 . 2 . . . . . 144 VAL HG2 . 51943 1 875 . 1 . 1 145 145 VAL HG23 H 1 0.890 0.020 . 2 . . . . . 144 VAL HG2 . 51943 1 876 . 1 . 1 145 145 VAL C C 13 174.896 0.3 . 1 . . . . . 144 VAL C . 51943 1 877 . 1 . 1 145 145 VAL CA C 13 61.541 0.3 . 1 . . . . . 144 VAL CA . 51943 1 878 . 1 . 1 145 145 VAL CB C 13 33.009 0.3 . 1 . . . . . 144 VAL CB . 51943 1 879 . 1 . 1 145 145 VAL CG1 C 13 19.394 0.3 . 1 . . . . . 144 VAL CG1 . 51943 1 880 . 1 . 1 145 145 VAL CG2 C 13 20.437 0.3 . 1 . . . . . 144 VAL CG2 . 51943 1 881 . 1 . 1 145 145 VAL N N 15 129.873 0.3 . 1 . . . . . 144 VAL N . 51943 1 882 . 1 . 1 146 146 GLY H H 1 8.403 0.020 . 1 . . . . . 145 GLY H . 51943 1 883 . 1 . 1 146 146 GLY CA C 13 45.117 0.3 . 1 . . . . . 145 GLY CA . 51943 1 884 . 1 . 1 146 146 GLY N N 15 106.289 0.3 . 1 . . . . . 145 GLY N . 51943 1 885 . 1 . 1 147 147 ARG C C 13 175.188 0.3 . 1 . . . . . 146 ARG C . 51943 1 886 . 1 . 1 147 147 ARG CA C 13 55.828 0.3 . 1 . . . . . 146 ARG CA . 51943 1 887 . 1 . 1 147 147 ARG CB C 13 29.848 0.3 . 1 . . . . . 146 ARG CB . 51943 1 888 . 1 . 1 148 148 ASN H H 1 7.853 0.020 . 1 . . . . . 147 ASN H . 51943 1 889 . 1 . 1 148 148 ASN C C 13 175.188 0.3 . 1 . . . . . 147 ASN C . 51943 1 890 . 1 . 1 148 148 ASN CA C 13 55.635 0.3 . 1 . . . . . 147 ASN CA . 51943 1 891 . 1 . 1 148 148 ASN CB C 13 41.649 0.3 . 1 . . . . . 147 ASN CB . 51943 1 892 . 1 . 1 148 148 ASN N N 15 127.727 0.3 . 1 . . . . . 147 ASN N . 51943 1 893 . 1 . 1 149 149 VAL H H 1 7.510 0.020 . 1 . . . . . 148 VAL H . 51943 1 894 . 1 . 1 149 149 VAL HG11 H 1 0.433 0.020 . 2 . . . . . 148 VAL HG1 . 51943 1 895 . 1 . 1 149 149 VAL HG12 H 1 0.433 0.020 . 2 . . . . . 148 VAL HG1 . 51943 1 896 . 1 . 1 149 149 VAL HG13 H 1 0.433 0.020 . 2 . . . . . 148 VAL HG1 . 51943 1 897 . 1 . 1 149 149 VAL HG21 H 1 0.865 0.020 . 2 . . . . . 148 VAL HG2 . 51943 1 898 . 1 . 1 149 149 VAL HG22 H 1 0.865 0.020 . 2 . . . . . 148 VAL HG2 . 51943 1 899 . 1 . 1 149 149 VAL HG23 H 1 0.865 0.020 . 2 . . . . . 148 VAL HG2 . 51943 1 900 . 1 . 1 149 149 VAL C C 13 178.170 0.3 . 1 . . . . . 148 VAL C . 51943 1 901 . 1 . 1 149 149 VAL CA C 13 63.305 0.3 . 1 . . . . . 148 VAL CA . 51943 1 902 . 1 . 1 149 149 VAL CB C 13 30.364 0.3 . 1 . . . . . 148 VAL CB . 51943 1 903 . 1 . 1 149 149 VAL CG1 C 13 20.603 0.3 . 1 . . . . . 148 VAL CG1 . 51943 1 904 . 1 . 1 149 149 VAL CG2 C 13 20.376 0.3 . 1 . . . . . 148 VAL CG2 . 51943 1 905 . 1 . 1 149 149 VAL N N 15 111.997 0.3 . 1 . . . . . 148 VAL N . 51943 1 906 . 1 . 1 150 150 ASP H H 1 8.143 0.020 . 1 . . . . . 149 ASP H . 51943 1 907 . 1 . 1 150 150 ASP C C 13 176.148 0.3 . 1 . . . . . 149 ASP C . 51943 1 908 . 1 . 1 150 150 ASP CA C 13 58.201 0.3 . 1 . . . . . 149 ASP CA . 51943 1 909 . 1 . 1 150 150 ASP CB C 13 40.441 0.3 . 1 . . . . . 149 ASP CB . 51943 1 910 . 1 . 1 150 150 ASP N N 15 120.554 0.3 . 1 . . . . . 149 ASP N . 51943 1 911 . 1 . 1 151 151 GLU H H 1 7.203 0.020 . 1 . . . . . 150 GLU H . 51943 1 912 . 1 . 1 151 151 GLU C C 13 178.824 0.3 . 1 . . . . . 150 GLU C . 51943 1 913 . 1 . 1 151 151 GLU CA C 13 61.256 0.3 . 1 . . . . . 150 GLU CA . 51943 1 914 . 1 . 1 151 151 GLU N N 15 119.290 0.3 . 1 . . . . . 150 GLU N . 51943 1 915 . 1 . 1 152 152 ALA C C 13 176.207 0.3 . 1 . . . . . 151 ALA C . 51943 1 916 . 1 . 1 152 152 ALA CA C 13 51.673 0.3 . 1 . . . . . 151 ALA CA . 51943 1 917 . 1 . 1 152 152 ALA CB C 13 18.386 0.3 . 1 . . . . . 151 ALA CB . 51943 1 918 . 1 . 1 153 153 LEU H H 1 8.217 0.020 . 1 . . . . . 152 LEU H . 51943 1 919 . 1 . 1 153 153 LEU C C 13 174.795 0.3 . 1 . . . . . 152 LEU C . 51943 1 920 . 1 . 1 153 153 LEU CA C 13 53.770 0.3 . 1 . . . . . 152 LEU CA . 51943 1 921 . 1 . 1 153 153 LEU CB C 13 40.752 0.3 . 1 . . . . . 152 LEU CB . 51943 1 922 . 1 . 1 153 153 LEU N N 15 122.321 0.3 . 1 . . . . . 152 LEU N . 51943 1 923 . 1 . 1 154 154 ARG H H 1 8.384 0.020 . 1 . . . . . 153 ARG H . 51943 1 924 . 1 . 1 154 154 ARG C C 13 176.191 0.3 . 1 . . . . . 153 ARG C . 51943 1 925 . 1 . 1 154 154 ARG CA C 13 56.243 0.3 . 1 . . . . . 153 ARG CA . 51943 1 926 . 1 . 1 154 154 ARG CB C 13 29.444 0.3 . 1 . . . . . 153 ARG CB . 51943 1 927 . 1 . 1 154 154 ARG N N 15 124.717 0.3 . 1 . . . . . 153 ARG N . 51943 1 928 . 1 . 1 155 155 LEU H H 1 7.949 0.020 . 1 . . . . . 154 LEU H . 51943 1 929 . 1 . 1 155 155 LEU HD11 H 1 0.514 0.020 . 2 . . . . . 154 LEU HD1 . 51943 1 930 . 1 . 1 155 155 LEU HD12 H 1 0.514 0.020 . 2 . . . . . 154 LEU HD1 . 51943 1 931 . 1 . 1 155 155 LEU HD13 H 1 0.514 0.020 . 2 . . . . . 154 LEU HD1 . 51943 1 932 . 1 . 1 155 155 LEU HD21 H 1 0.201 0.020 . 2 . . . . . 154 LEU HD2 . 51943 1 933 . 1 . 1 155 155 LEU HD22 H 1 0.201 0.020 . 2 . . . . . 154 LEU HD2 . 51943 1 934 . 1 . 1 155 155 LEU HD23 H 1 0.201 0.020 . 2 . . . . . 154 LEU HD2 . 51943 1 935 . 1 . 1 155 155 LEU C C 13 176.234 0.3 . 1 . . . . . 154 LEU C . 51943 1 936 . 1 . 1 155 155 LEU CA C 13 57.545 0.3 . 1 . . . . . 154 LEU CA . 51943 1 937 . 1 . 1 155 155 LEU CB C 13 37.911 0.3 . 1 . . . . . 154 LEU CB . 51943 1 938 . 1 . 1 155 155 LEU CD1 C 13 22.346 0.3 . 1 . . . . . 154 LEU CD1 . 51943 1 939 . 1 . 1 155 155 LEU CD2 C 13 23.887 0.3 . 1 . . . . . 154 LEU CD2 . 51943 1 940 . 1 . 1 155 155 LEU N N 15 121.198 0.3 . 1 . . . . . 154 LEU N . 51943 1 941 . 1 . 1 156 156 VAL H H 1 7.992 0.020 . 1 . . . . . 155 VAL H . 51943 1 942 . 1 . 1 156 156 VAL HG11 H 1 0.765 0.020 . 2 . . . . . 155 VAL HG1 . 51943 1 943 . 1 . 1 156 156 VAL HG12 H 1 0.765 0.020 . 2 . . . . . 155 VAL HG1 . 51943 1 944 . 1 . 1 156 156 VAL HG13 H 1 0.765 0.020 . 2 . . . . . 155 VAL HG1 . 51943 1 945 . 1 . 1 156 156 VAL HG21 H 1 1.147 0.020 . 2 . . . . . 155 VAL HG2 . 51943 1 946 . 1 . 1 156 156 VAL HG22 H 1 1.147 0.020 . 2 . . . . . 155 VAL HG2 . 51943 1 947 . 1 . 1 156 156 VAL HG23 H 1 1.147 0.020 . 2 . . . . . 155 VAL HG2 . 51943 1 948 . 1 . 1 156 156 VAL CA C 13 55.777 0.3 . 1 . . . . . 155 VAL CA . 51943 1 949 . 1 . 1 156 156 VAL CB C 13 31.611 0.3 . 1 . . . . . 155 VAL CB . 51943 1 950 . 1 . 1 156 156 VAL CG1 C 13 21.355 0.3 . 1 . . . . . 155 VAL CG1 . 51943 1 951 . 1 . 1 156 156 VAL CG2 C 13 22.573 0.3 . 1 . . . . . 155 VAL CG2 . 51943 1 952 . 1 . 1 156 156 VAL N N 15 121.237 0.3 . 1 . . . . . 155 VAL N . 51943 1 953 . 1 . 1 157 157 GLU C C 13 175.782 0.3 . 1 . . . . . 156 GLU C . 51943 1 954 . 1 . 1 157 157 GLU CA C 13 53.885 0.3 . 1 . . . . . 156 GLU CA . 51943 1 955 . 1 . 1 157 157 GLU CB C 13 32.747 0.3 . 1 . . . . . 156 GLU CB . 51943 1 956 . 1 . 1 158 158 ALA H H 1 8.259 0.020 . 1 . . . . . 157 ALA H . 51943 1 957 . 1 . 1 158 158 ALA HB1 H 1 1.316 0.020 . 1 . . . . . 157 ALA HB . 51943 1 958 . 1 . 1 158 158 ALA HB2 H 1 1.316 0.020 . 1 . . . . . 157 ALA HB . 51943 1 959 . 1 . 1 158 158 ALA HB3 H 1 1.316 0.020 . 1 . . . . . 157 ALA HB . 51943 1 960 . 1 . 1 158 158 ALA C C 13 174.594 0.3 . 1 . . . . . 157 ALA C . 51943 1 961 . 1 . 1 158 158 ALA CA C 13 51.670 0.3 . 1 . . . . . 157 ALA CA . 51943 1 962 . 1 . 1 158 158 ALA CB C 13 18.559 0.3 . 1 . . . . . 157 ALA CB . 51943 1 963 . 1 . 1 158 158 ALA N N 15 122.260 0.3 . 1 . . . . . 157 ALA N . 51943 1 964 . 1 . 1 159 159 PHE H H 1 6.774 0.020 . 1 . . . . . 158 PHE H . 51943 1 965 . 1 . 1 159 159 PHE C C 13 179.358 0.3 . 1 . . . . . 158 PHE C . 51943 1 966 . 1 . 1 159 159 PHE CA C 13 57.064 0.3 . 1 . . . . . 158 PHE CA . 51943 1 967 . 1 . 1 159 159 PHE CB C 13 38.658 0.3 . 1 . . . . . 158 PHE CB . 51943 1 968 . 1 . 1 159 159 PHE N N 15 114.329 0.3 . 1 . . . . . 158 PHE N . 51943 1 969 . 1 . 1 160 160 GLN H H 1 8.502 0.020 . 1 . . . . . 159 GLN H . 51943 1 970 . 1 . 1 160 160 GLN C C 13 179.025 0.3 . 1 . . . . . 159 GLN C . 51943 1 971 . 1 . 1 160 160 GLN CA C 13 58.854 0.3 . 1 . . . . . 159 GLN CA . 51943 1 972 . 1 . 1 160 160 GLN CB C 13 27.479 0.3 . 1 . . . . . 159 GLN CB . 51943 1 973 . 1 . 1 160 160 GLN N N 15 118.863 0.3 . 1 . . . . . 159 GLN N . 51943 1 974 . 1 . 1 161 161 TRP H H 1 8.379 0.020 . 1 . . . . . 160 TRP H . 51943 1 975 . 1 . 1 161 161 TRP C C 13 174.594 0.3 . 1 . . . . . 160 TRP C . 51943 1 976 . 1 . 1 161 161 TRP CA C 13 62.437 0.3 . 1 . . . . . 160 TRP CA . 51943 1 977 . 1 . 1 161 161 TRP CB C 13 28.753 0.3 . 1 . . . . . 160 TRP CB . 51943 1 978 . 1 . 1 161 161 TRP N N 15 122.066 0.3 . 1 . . . . . 160 TRP N . 51943 1 979 . 1 . 1 162 162 THR H H 1 8.460 0.020 . 1 . . . . . 161 THR H . 51943 1 980 . 1 . 1 162 162 THR C C 13 177.502 0.3 . 1 . . . . . 161 THR C . 51943 1 981 . 1 . 1 162 162 THR CA C 13 65.728 0.3 . 1 . . . . . 161 THR CA . 51943 1 982 . 1 . 1 162 162 THR CB C 13 68.814 0.3 . 1 . . . . . 161 THR CB . 51943 1 983 . 1 . 1 162 162 THR N N 15 115.132 0.3 . 1 . . . . . 161 THR N . 51943 1 984 . 1 . 1 163 163 ASP H H 1 8.420 0.020 . 1 . . . . . 162 ASP H . 51943 1 985 . 1 . 1 163 163 ASP C C 13 178.595 0.3 . 1 . . . . . 162 ASP C . 51943 1 986 . 1 . 1 163 163 ASP CA C 13 56.697 0.3 . 1 . . . . . 162 ASP CA . 51943 1 987 . 1 . 1 163 163 ASP CB C 13 39.487 0.3 . 1 . . . . . 162 ASP CB . 51943 1 988 . 1 . 1 163 163 ASP N N 15 124.697 0.3 . 1 . . . . . 162 ASP N . 51943 1 989 . 1 . 1 164 164 LYS H H 1 8.048 0.020 . 1 . . . . . 163 LYS H . 51943 1 990 . 1 . 1 164 164 LYS C C 13 177.991 0.3 . 1 . . . . . 163 LYS C . 51943 1 991 . 1 . 1 164 164 LYS CA C 13 57.623 0.3 . 1 . . . . . 163 LYS CA . 51943 1 992 . 1 . 1 164 164 LYS CB C 13 32.036 0.3 . 1 . . . . . 163 LYS CB . 51943 1 993 . 1 . 1 164 164 LYS N N 15 118.844 0.3 . 1 . . . . . 163 LYS N . 51943 1 994 . 1 . 1 165 165 ASN H H 1 7.848 0.020 . 1 . . . . . 164 ASN H . 51943 1 995 . 1 . 1 165 165 ASN C C 13 175.905 0.3 . 1 . . . . . 164 ASN C . 51943 1 996 . 1 . 1 165 165 ASN CA C 13 54.013 0.3 . 1 . . . . . 164 ASN CA . 51943 1 997 . 1 . 1 165 165 ASN CB C 13 38.824 0.3 . 1 . . . . . 164 ASN CB . 51943 1 998 . 1 . 1 165 165 ASN N N 15 114.352 0.3 . 1 . . . . . 164 ASN N . 51943 1 999 . 1 . 1 166 166 GLY H H 1 8.024 0.020 . 1 . . . . . 165 GLY H . 51943 1 1000 . 1 . 1 166 166 GLY C C 13 173.732 0.3 . 1 . . . . . 165 GLY C . 51943 1 1001 . 1 . 1 166 166 GLY CA C 13 46.144 0.3 . 1 . . . . . 165 GLY CA . 51943 1 1002 . 1 . 1 166 166 GLY N N 15 109.684 0.3 . 1 . . . . . 165 GLY N . 51943 1 1003 . 1 . 1 167 167 THR H H 1 7.253 0.020 . 1 . . . . . 166 THR H . 51943 1 1004 . 1 . 1 167 167 THR HB H 1 4.240 0.020 . 1 . . . . . 166 THR HB . 51943 1 1005 . 1 . 1 167 167 THR C C 13 173.128 0.3 . 1 . . . . . 166 THR C . 51943 1 1006 . 1 . 1 167 167 THR CA C 13 59.179 0.3 . 1 . . . . . 166 THR CA . 51943 1 1007 . 1 . 1 167 167 THR CB C 13 70.138 0.3 . 1 . . . . . 166 THR CB . 51943 1 1008 . 1 . 1 167 167 THR N N 15 110.335 0.3 . 1 . . . . . 166 THR N . 51943 1 1009 . 1 . 1 168 168 VAL H H 1 6.827 0.020 . 1 . . . . . 167 VAL H . 51943 1 1010 . 1 . 1 168 168 VAL HG11 H 1 0.978 0.020 . 1 . . . . . 167 VAL HG1 . 51943 1 1011 . 1 . 1 168 168 VAL HG12 H 1 0.978 0.020 . 1 . . . . . 167 VAL HG1 . 51943 1 1012 . 1 . 1 168 168 VAL HG13 H 1 0.978 0.020 . 1 . . . . . 167 VAL HG1 . 51943 1 1013 . 1 . 1 168 168 VAL C C 13 170.121 0.3 . 1 . . . . . 167 VAL C . 51943 1 1014 . 1 . 1 168 168 VAL CA C 13 57.615 0.3 . 1 . . . . . 167 VAL CA . 51943 1 1015 . 1 . 1 168 168 VAL CB C 13 31.077 0.3 . 1 . . . . . 167 VAL CB . 51943 1 1016 . 1 . 1 168 168 VAL CG1 C 13 20.932 0.3 . 1 . . . . . 167 VAL CG1 . 51943 1 1017 . 1 . 1 168 168 VAL N N 15 120.698 0.3 . 1 . . . . . 167 VAL N . 51943 1 1018 . 1 . 1 170 170 PRO C C 13 173.076 0.3 . 1 . . . . . 169 PRO C . 51943 1 1019 . 1 . 1 170 170 PRO CA C 13 59.380 0.3 . 1 . . . . . 169 PRO CA . 51943 1 1020 . 1 . 1 171 171 CYS H H 1 8.618 0.020 . 1 . . . . . 170 CYS H . 51943 1 1021 . 1 . 1 171 171 CYS C C 13 178.291 0.3 . 1 . . . . . 170 CYS C . 51943 1 1022 . 1 . 1 171 171 CYS CA C 13 60.064 0.3 . 1 . . . . . 170 CYS CA . 51943 1 1023 . 1 . 1 171 171 CYS CB C 13 42.012 0.3 . 1 . . . . . 170 CYS CB . 51943 1 1024 . 1 . 1 171 171 CYS N N 15 126.777 0.3 . 1 . . . . . 170 CYS N . 51943 1 1025 . 1 . 1 172 172 ASN H H 1 8.470 0.020 . 1 . . . . . 171 ASN H . 51943 1 1026 . 1 . 1 172 172 ASN C C 13 176.230 0.3 . 1 . . . . . 171 ASN C . 51943 1 1027 . 1 . 1 172 172 ASN CA C 13 53.066 0.3 . 1 . . . . . 171 ASN CA . 51943 1 1028 . 1 . 1 172 172 ASN CB C 13 38.972 0.3 . 1 . . . . . 171 ASN CB . 51943 1 1029 . 1 . 1 172 172 ASN N N 15 118.684 0.3 . 1 . . . . . 171 ASN N . 51943 1 1030 . 1 . 1 173 173 TRP H H 1 8.505 0.020 . 1 . . . . . 172 TRP H . 51943 1 1031 . 1 . 1 173 173 TRP C C 13 179.039 0.3 . 1 . . . . . 172 TRP C . 51943 1 1032 . 1 . 1 173 173 TRP CA C 13 58.812 0.3 . 1 . . . . . 172 TRP CA . 51943 1 1033 . 1 . 1 173 173 TRP CB C 13 27.449 0.3 . 1 . . . . . 172 TRP CB . 51943 1 1034 . 1 . 1 173 173 TRP N N 15 119.241 0.3 . 1 . . . . . 172 TRP N . 51943 1 1035 . 1 . 1 175 175 PRO C C 13 174.594 0.3 . 1 . . . . . 174 PRO C . 51943 1 1036 . 1 . 1 175 175 PRO CA C 13 63.664 0.3 . 1 . . . . . 174 PRO CA . 51943 1 1037 . 1 . 1 175 175 PRO CB C 13 35.708 0.3 . 1 . . . . . 174 PRO CB . 51943 1 1038 . 1 . 1 176 176 GLY H H 1 7.558 0.020 . 1 . . . . . 175 GLY H . 51943 1 1039 . 1 . 1 176 176 GLY C C 13 174.594 0.3 . 1 . . . . . 175 GLY C . 51943 1 1040 . 1 . 1 176 176 GLY CA C 13 44.894 0.3 . 1 . . . . . 175 GLY CA . 51943 1 1041 . 1 . 1 176 176 GLY N N 15 108.681 0.3 . 1 . . . . . 175 GLY N . 51943 1 1042 . 1 . 1 177 177 ALA H H 1 7.972 0.020 . 1 . . . . . 176 ALA H . 51943 1 1043 . 1 . 1 177 177 ALA HB1 H 1 1.415 0.020 . 1 . . . . . 176 ALA HB . 51943 1 1044 . 1 . 1 177 177 ALA HB2 H 1 1.415 0.020 . 1 . . . . . 176 ALA HB . 51943 1 1045 . 1 . 1 177 177 ALA HB3 H 1 1.415 0.020 . 1 . . . . . 176 ALA HB . 51943 1 1046 . 1 . 1 177 177 ALA C C 13 177.687 0.3 . 1 . . . . . 176 ALA C . 51943 1 1047 . 1 . 1 177 177 ALA CA C 13 52.107 0.3 . 1 . . . . . 176 ALA CA . 51943 1 1048 . 1 . 1 177 177 ALA CB C 13 18.234 0.3 . 1 . . . . . 176 ALA CB . 51943 1 1049 . 1 . 1 177 177 ALA N N 15 124.088 0.3 . 1 . . . . . 176 ALA N . 51943 1 1050 . 1 . 1 178 178 ALA H H 1 8.045 0.020 . 1 . . . . . 177 ALA H . 51943 1 1051 . 1 . 1 178 178 ALA HB1 H 1 1.602 0.020 . 1 . . . . . 177 ALA HB . 51943 1 1052 . 1 . 1 178 178 ALA HB2 H 1 1.602 0.020 . 1 . . . . . 177 ALA HB . 51943 1 1053 . 1 . 1 178 178 ALA HB3 H 1 1.602 0.020 . 1 . . . . . 177 ALA HB . 51943 1 1054 . 1 . 1 178 178 ALA C C 13 178.988 0.3 . 1 . . . . . 177 ALA C . 51943 1 1055 . 1 . 1 178 178 ALA CA C 13 55.010 0.3 . 1 . . . . . 177 ALA CA . 51943 1 1056 . 1 . 1 178 178 ALA CB C 13 17.607 0.3 . 1 . . . . . 177 ALA CB . 51943 1 1057 . 1 . 1 178 178 ALA N N 15 120.229 0.3 . 1 . . . . . 177 ALA N . 51943 1 1058 . 1 . 1 179 179 THR H H 1 8.026 0.020 . 1 . . . . . 178 THR H . 51943 1 1059 . 1 . 1 179 179 THR HB H 1 4.323 0.020 . 1 . . . . . 178 THR HB . 51943 1 1060 . 1 . 1 179 179 THR C C 13 174.407 0.3 . 1 . . . . . 178 THR C . 51943 1 1061 . 1 . 1 179 179 THR CA C 13 60.288 0.3 . 1 . . . . . 178 THR CA . 51943 1 1062 . 1 . 1 179 179 THR CB C 13 69.224 0.3 . 1 . . . . . 178 THR CB . 51943 1 1063 . 1 . 1 179 179 THR N N 15 124.133 0.3 . 1 . . . . . 178 THR N . 51943 1 1064 . 1 . 1 180 180 ILE H H 1 8.011 0.020 . 1 . . . . . 179 ILE H . 51943 1 1065 . 1 . 1 180 180 ILE HA H 1 4.199 0.020 . 1 . . . . . 179 ILE HA . 51943 1 1066 . 1 . 1 180 180 ILE HB H 1 1.865 0.020 . 1 . . . . . 179 ILE HB . 51943 1 1067 . 1 . 1 180 180 ILE HD11 H 1 0.857 0.020 . 1 . . . . . 179 ILE HD1 . 51943 1 1068 . 1 . 1 180 180 ILE HD12 H 1 0.857 0.020 . 1 . . . . . 179 ILE HD1 . 51943 1 1069 . 1 . 1 180 180 ILE HD13 H 1 0.857 0.020 . 1 . . . . . 179 ILE HD1 . 51943 1 1070 . 1 . 1 180 180 ILE C C 13 175.773 0.3 . 1 . . . . . 179 ILE C . 51943 1 1071 . 1 . 1 180 180 ILE CA C 13 60.172 0.3 . 1 . . . . . 179 ILE CA . 51943 1 1072 . 1 . 1 180 180 ILE CB C 13 37.949 0.3 . 1 . . . . . 179 ILE CB . 51943 1 1073 . 1 . 1 180 180 ILE CD1 C 13 12.089 0.3 . 1 . . . . . 179 ILE CD1 . 51943 1 1074 . 1 . 1 180 180 ILE N N 15 124.011 0.3 . 1 . . . . . 179 ILE N . 51943 1 1075 . 1 . 1 181 181 LYS H H 1 8.262 0.020 . 1 . . . . . 180 LYS H . 51943 1 1076 . 1 . 1 181 181 LYS C C 13 174.450 0.3 . 1 . . . . . 180 LYS C . 51943 1 1077 . 1 . 1 181 181 LYS CA C 13 53.529 0.3 . 1 . . . . . 180 LYS CA . 51943 1 1078 . 1 . 1 181 181 LYS CB C 13 31.543 0.3 . 1 . . . . . 180 LYS CB . 51943 1 1079 . 1 . 1 181 181 LYS N N 15 127.515 0.3 . 1 . . . . . 180 LYS N . 51943 1 1080 . 1 . 1 182 182 PRO C C 13 176.983 0.3 . 1 . . . . . 181 PRO C . 51943 1 1081 . 1 . 1 182 182 PRO CA C 13 62.657 0.3 . 1 . . . . . 181 PRO CA . 51943 1 1082 . 1 . 1 182 182 PRO CB C 13 31.055 0.3 . 1 . . . . . 181 PRO CB . 51943 1 1083 . 1 . 1 183 183 THR H H 1 8.146 0.020 . 1 . . . . . 182 THR H . 51943 1 1084 . 1 . 1 183 183 THR HB H 1 4.181 0.020 . 1 . . . . . 182 THR HB . 51943 1 1085 . 1 . 1 183 183 THR C C 13 174.435 0.3 . 1 . . . . . 182 THR C . 51943 1 1086 . 1 . 1 183 183 THR CA C 13 61.505 0.3 . 1 . . . . . 182 THR CA . 51943 1 1087 . 1 . 1 183 183 THR CB C 13 69.219 0.3 . 1 . . . . . 182 THR CB . 51943 1 1088 . 1 . 1 183 183 THR N N 15 115.637 0.3 . 1 . . . . . 182 THR N . 51943 1 1089 . 1 . 1 184 184 VAL H H 1 8.047 0.020 . 1 . . . . . 183 VAL H . 51943 1 1090 . 1 . 1 184 184 VAL HA H 1 3.726 0.020 . 1 . . . . . 183 VAL HA . 51943 1 1091 . 1 . 1 184 184 VAL HB H 1 2.210 0.020 . 1 . . . . . 183 VAL HB . 51943 1 1092 . 1 . 1 184 184 VAL HG11 H 1 0.959 0.020 . 2 . . . . . 183 VAL HG1 . 51943 1 1093 . 1 . 1 184 184 VAL HG12 H 1 0.959 0.020 . 2 . . . . . 183 VAL HG1 . 51943 1 1094 . 1 . 1 184 184 VAL HG13 H 1 0.959 0.020 . 2 . . . . . 183 VAL HG1 . 51943 1 1095 . 1 . 1 184 184 VAL HG21 H 1 0.960 0.020 . 2 . . . . . 183 VAL HG2 . 51943 1 1096 . 1 . 1 184 184 VAL HG22 H 1 0.960 0.020 . 2 . . . . . 183 VAL HG2 . 51943 1 1097 . 1 . 1 184 184 VAL HG23 H 1 0.960 0.020 . 2 . . . . . 183 VAL HG2 . 51943 1 1098 . 1 . 1 184 184 VAL C C 13 175.112 0.3 . 1 . . . . . 183 VAL C . 51943 1 1099 . 1 . 1 184 184 VAL CA C 13 61.663 0.3 . 1 . . . . . 183 VAL CA . 51943 1 1100 . 1 . 1 184 184 VAL CB C 13 31.995 0.3 . 1 . . . . . 183 VAL CB . 51943 1 1101 . 1 . 1 184 184 VAL CG1 C 13 19.797 0.3 . 1 . . . . . 183 VAL CG1 . 51943 1 1102 . 1 . 1 184 184 VAL CG2 C 13 20.558 0.3 . 1 . . . . . 183 VAL CG2 . 51943 1 1103 . 1 . 1 184 184 VAL N N 15 122.795 0.3 . 1 . . . . . 183 VAL N . 51943 1 1104 . 1 . 1 185 185 GLU H H 1 7.902 0.020 . 1 . . . . . 184 GLU H . 51943 1 1105 . 1 . 1 185 185 GLU CA C 13 57.475 0.3 . 1 . . . . . 184 GLU CA . 51943 1 1106 . 1 . 1 185 185 GLU CB C 13 30.396 0.3 . 1 . . . . . 184 GLU CB . 51943 1 1107 . 1 . 1 185 185 GLU N N 15 129.880 0.3 . 1 . . . . . 184 GLU N . 51943 1 1108 . 1 . 1 187 187 SER C C 13 177.458 0.3 . 1 . . . . . 186 SER C . 51943 1 1109 . 1 . 1 187 187 SER CA C 13 61.535 0.3 . 1 . . . . . 186 SER CA . 51943 1 1110 . 1 . 1 187 187 SER CB C 13 64.349 0.3 . 1 . . . . . 186 SER CB . 51943 1 1111 . 1 . 1 188 188 LYS H H 1 8.065 0.020 . 1 . . . . . 187 LYS H . 51943 1 1112 . 1 . 1 188 188 LYS C C 13 175.773 0.3 . 1 . . . . . 187 LYS C . 51943 1 1113 . 1 . 1 188 188 LYS CA C 13 61.535 0.3 . 1 . . . . . 187 LYS CA . 51943 1 1114 . 1 . 1 188 188 LYS CB C 13 31.954 0.3 . 1 . . . . . 187 LYS CB . 51943 1 1115 . 1 . 1 188 188 LYS N N 15 122.808 0.3 . 1 . . . . . 187 LYS N . 51943 1 1116 . 1 . 1 189 189 GLU H H 1 8.332 0.020 . 1 . . . . . 188 GLU H . 51943 1 1117 . 1 . 1 189 189 GLU C C 13 175.127 0.3 . 1 . . . . . 188 GLU C . 51943 1 1118 . 1 . 1 189 189 GLU CA C 13 55.833 0.3 . 1 . . . . . 188 GLU CA . 51943 1 1119 . 1 . 1 189 189 GLU CB C 13 29.804 0.3 . 1 . . . . . 188 GLU CB . 51943 1 1120 . 1 . 1 189 189 GLU N N 15 125.314 0.3 . 1 . . . . . 188 GLU N . 51943 1 1121 . 1 . 1 190 190 TYR H H 1 7.941 0.020 . 1 . . . . . 189 TYR H . 51943 1 1122 . 1 . 1 190 190 TYR C C 13 175.640 0.3 . 1 . . . . . 189 TYR C . 51943 1 1123 . 1 . 1 190 190 TYR CA C 13 60.434 0.3 . 1 . . . . . 189 TYR CA . 51943 1 1124 . 1 . 1 190 190 TYR CB C 13 37.895 0.3 . 1 . . . . . 189 TYR CB . 51943 1 1125 . 1 . 1 190 190 TYR N N 15 123.364 0.3 . 1 . . . . . 189 TYR N . 51943 1 1126 . 1 . 1 191 191 PHE H H 1 8.334 0.020 . 1 . . . . . 190 PHE H . 51943 1 1127 . 1 . 1 191 191 PHE C C 13 175.995 0.3 . 1 . . . . . 190 PHE C . 51943 1 1128 . 1 . 1 191 191 PHE CA C 13 54.006 0.3 . 1 . . . . . 190 PHE CA . 51943 1 1129 . 1 . 1 191 191 PHE CB C 13 40.767 0.3 . 1 . . . . . 190 PHE CB . 51943 1 1130 . 1 . 1 191 191 PHE N N 15 124.579 0.3 . 1 . . . . . 190 PHE N . 51943 1 1131 . 1 . 1 192 192 GLU C C 13 175.503 0.3 . 1 . . . . . 191 GLU C . 51943 1 1132 . 1 . 1 192 192 GLU CA C 13 60.717 0.3 . 1 . . . . . 191 GLU CA . 51943 1 1133 . 1 . 1 192 192 GLU CB C 13 29.828 0.3 . 1 . . . . . 191 GLU CB . 51943 1 1134 . 1 . 1 193 193 ALA H H 1 8.062 0.020 . 1 . . . . . 192 ALA H . 51943 1 1135 . 1 . 1 193 193 ALA C C 13 176.263 0.3 . 1 . . . . . 192 ALA C . 51943 1 1136 . 1 . 1 193 193 ALA CA C 13 51.810 0.3 . 1 . . . . . 192 ALA CA . 51943 1 1137 . 1 . 1 193 193 ALA CB C 13 18.578 0.3 . 1 . . . . . 192 ALA CB . 51943 1 1138 . 1 . 1 193 193 ALA N N 15 126.411 0.3 . 1 . . . . . 192 ALA N . 51943 1 1139 . 1 . 1 194 194 ALA H H 1 7.777 0.020 . 1 . . . . . 193 ALA H . 51943 1 1140 . 1 . 1 194 194 ALA HB1 H 1 1.308 0.020 . 1 . . . . . 193 ALA HB . 51943 1 1141 . 1 . 1 194 194 ALA HB2 H 1 1.308 0.020 . 1 . . . . . 193 ALA HB . 51943 1 1142 . 1 . 1 194 194 ALA HB3 H 1 1.308 0.020 . 1 . . . . . 193 ALA HB . 51943 1 1143 . 1 . 1 194 194 ALA C C 13 176.273 0.3 . 1 . . . . . 193 ALA C . 51943 1 1144 . 1 . 1 194 194 ALA CA C 13 53.242 0.3 . 1 . . . . . 193 ALA CA . 51943 1 1145 . 1 . 1 194 194 ALA CB C 13 19.327 0.3 . 1 . . . . . 193 ALA CB . 51943 1 1146 . 1 . 1 194 194 ALA N N 15 129.803 0.3 . 1 . . . . . 193 ALA N . 51943 1 1147 . 1 . 1 195 195 ASN C C 13 174.079 0.3 . 1 . . . . . 194 ASN C . 51943 1 1148 . 1 . 1 195 195 ASN CA C 13 52.809 0.3 . 1 . . . . . 194 ASN CA . 51943 1 1149 . 1 . 1 195 195 ASN CB C 13 38.254 0.3 . 1 . . . . . 194 ASN CB . 51943 1 1150 . 1 . 1 196 196 LYS H H 1 7.692 0.020 . 1 . . . . . 195 LYS H . 51943 1 1151 . 1 . 1 196 196 LYS C C 13 169.227 0.3 . 1 . . . . . 195 LYS C . 51943 1 1152 . 1 . 1 196 196 LYS CA C 13 57.270 0.3 . 1 . . . . . 195 LYS CA . 51943 1 1153 . 1 . 1 196 196 LYS CB C 13 32.655 0.3 . 1 . . . . . 195 LYS CB . 51943 1 1154 . 1 . 1 196 196 LYS N N 15 126.726 0.3 . 1 . . . . . 195 LYS N . 51943 1 stop_ save_