data_28095 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28095 _Entry.Title ; 1H, 15N and 13C backbone resonance assignments of wild-type substrate-free beta-phosphoglucomutase from Lactococcus lactis with a cis K145-P146 peptide bond (conformer A) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-10 _Entry.Accession_date 2020-03-10 _Entry.Last_release_date 2020-03-10 _Entry.Original_release_date 2020-03-10 _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 Nicola Baxter . J. . . 28095 2 Clare Trevitt . R. . . 28095 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 28095 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28095 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 606 28095 '15N chemical shifts' 193 28095 '1H chemical shifts' 193 28095 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 4 . . 2022-08-17 2020-03-10 update author 'update assignments' 28095 3 . . 2020-12-04 2020-03-10 update BMRB 'update entry citation' 28095 2 . . 2020-11-02 2020-03-10 update BMRB 'update entry citation' 28095 1 . . 2020-09-03 2020-03-10 original author 'original release' 28095 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28096 'binary complex; bPGM-Mg; with trans K145-P146 peptide bond' 28095 BMRB 28097 'transition state analogue complex; bPGM-P146A-Mg-MgF3-G6P TSA' 28095 BMRB 7235 'Backbone NMR assignments of wild-type substrate-free beta-phosphoglucomutase with a cis K145-P146 peptide bond' 28095 PDB 2WHE 'X-ray crystal structure of wild-type beta-phosphoglucomutase (containing a cis K145-P146 peptide bond)' 28095 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28095 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33139716 _Citation.DOI 10.1038/s41467-020-19215-9 _Citation.Full_citation . _Citation.Title ; Allomorphy as a mechanism of post-translational control of enzyme activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5538 _Citation.Page_last 5538 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Henry Wood . P. . . 28095 1 2 F Cruz-Navarrete . Aaron . . 28095 1 3 Nicola Baxter . J. . . 28095 1 4 Clare Trevitt . R. . . 28095 1 5 Angus Robertson . J. . . 28095 1 6 Samuel Dix . R. . . 28095 1 7 Andrea Hounslow . M. . . 28095 1 8 Matthew Cliff . J. . . 28095 1 9 Jonathan Waltho . P. . . 28095 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR spectroscopy' 28095 1 'X-ray crystallography' 28095 1 allomorphy 28095 1 'cis-trans proline isomerisation' 28095 1 'enzyme regulation' 28095 1 'phosphoryl transfer enzyme' 28095 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28095 _Assembly.ID 1 _Assembly.Name 'bPGM-Mg complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 24233.95 _Assembly.Enzyme_commission_number 'EC 5.4.2.6' _Assembly.Details ; This is a binary complex involving wild-type substrate-free beta-phosphoglucomutase and a catalytic Mg ion with a cis K145-P146 peptide bond. ; _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 bPGM 1 $beta-phosphoglucomutase A . yes native no no . enzyme . 28095 1 2 Mg 2 $entity_MG A . no native no no . 'catalytic Mg ion' . 28095 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 7235 . . 'solution NMR' . 'Backbone NMR assignments of wild-type substrate-free beta-phosphoglucomutase with a cis K145-P146 peptide bond' . 28095 1 yes PDB 2whe . . X-ray 1.55 'X-ray crystal structure of wild-type beta-phosphoglucomutase' . 28095 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'The wild-type enzyme catalyses the reversible interconversion of beta-glucose 1-phosphate and beta-glucose 6-phosphate' 28095 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta-phosphoglucomutase _Entity.Sf_category entity _Entity.Sf_framecode beta-phosphoglucomutase _Entity.Entry_ID 28095 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name beta-phosphoglucomutase _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 ; MFKAVLFDLNGVITDTAEYH FRAWKALAEEIGINGVDRQF NEQLKGVSREDSLQKILDLA DKKVSAEEFKELAKRKNDNY VKMIQDVSPADVYPGILQLL KDLRSNKIKIALASASKNGP FLLERMNLTGYFDAIADPAE VAASKPAPDIFIAAAHAVGV APSESIGLEDSQAGIQAIKD SGALPIGVGRPEDLGDDIVI VPDTSHYTLEFLKEVWLQKQ K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq M1-F2-K3-A4-....-K221 _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 221 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 'EC 5.4.2.6' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24209.65 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'The wild-type enzyme catalyses the reversible interconversion of beta-glucose 1-phosphate and beta-glucose 6-phosphate' 28095 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 28095 1 2 . PHE . 28095 1 3 . LYS . 28095 1 4 . ALA . 28095 1 5 . VAL . 28095 1 6 . LEU . 28095 1 7 . PHE . 28095 1 8 . ASP . 28095 1 9 . LEU . 28095 1 10 . ASN . 28095 1 11 . GLY . 28095 1 12 . VAL . 28095 1 13 . ILE . 28095 1 14 . THR . 28095 1 15 . ASP . 28095 1 16 . THR . 28095 1 17 . ALA . 28095 1 18 . GLU . 28095 1 19 . TYR . 28095 1 20 . HIS . 28095 1 21 . PHE . 28095 1 22 . ARG . 28095 1 23 . ALA . 28095 1 24 . TRP . 28095 1 25 . LYS . 28095 1 26 . ALA . 28095 1 27 . LEU . 28095 1 28 . ALA . 28095 1 29 . GLU . 28095 1 30 . GLU . 28095 1 31 . ILE . 28095 1 32 . GLY . 28095 1 33 . ILE . 28095 1 34 . ASN . 28095 1 35 . GLY . 28095 1 36 . VAL . 28095 1 37 . ASP . 28095 1 38 . ARG . 28095 1 39 . GLN . 28095 1 40 . PHE . 28095 1 41 . ASN . 28095 1 42 . GLU . 28095 1 43 . GLN . 28095 1 44 . LEU . 28095 1 45 . LYS . 28095 1 46 . GLY . 28095 1 47 . VAL . 28095 1 48 . SER . 28095 1 49 . ARG . 28095 1 50 . GLU . 28095 1 51 . ASP . 28095 1 52 . SER . 28095 1 53 . LEU . 28095 1 54 . GLN . 28095 1 55 . LYS . 28095 1 56 . ILE . 28095 1 57 . LEU . 28095 1 58 . ASP . 28095 1 59 . LEU . 28095 1 60 . ALA . 28095 1 61 . ASP . 28095 1 62 . LYS . 28095 1 63 . LYS . 28095 1 64 . VAL . 28095 1 65 . SER . 28095 1 66 . ALA . 28095 1 67 . GLU . 28095 1 68 . GLU . 28095 1 69 . PHE . 28095 1 70 . LYS . 28095 1 71 . GLU . 28095 1 72 . LEU . 28095 1 73 . ALA . 28095 1 74 . LYS . 28095 1 75 . ARG . 28095 1 76 . LYS . 28095 1 77 . ASN . 28095 1 78 . ASP . 28095 1 79 . ASN . 28095 1 80 . TYR . 28095 1 81 . VAL . 28095 1 82 . LYS . 28095 1 83 . MET . 28095 1 84 . ILE . 28095 1 85 . GLN . 28095 1 86 . ASP . 28095 1 87 . VAL . 28095 1 88 . SER . 28095 1 89 . PRO . 28095 1 90 . ALA . 28095 1 91 . ASP . 28095 1 92 . VAL . 28095 1 93 . TYR . 28095 1 94 . PRO . 28095 1 95 . GLY . 28095 1 96 . ILE . 28095 1 97 . LEU . 28095 1 98 . GLN . 28095 1 99 . LEU . 28095 1 100 . LEU . 28095 1 101 . LYS . 28095 1 102 . ASP . 28095 1 103 . LEU . 28095 1 104 . ARG . 28095 1 105 . SER . 28095 1 106 . ASN . 28095 1 107 . LYS . 28095 1 108 . ILE . 28095 1 109 . LYS . 28095 1 110 . ILE . 28095 1 111 . ALA . 28095 1 112 . LEU . 28095 1 113 . ALA . 28095 1 114 . SER . 28095 1 115 . ALA . 28095 1 116 . SER . 28095 1 117 . LYS . 28095 1 118 . ASN . 28095 1 119 . GLY . 28095 1 120 . PRO . 28095 1 121 . PHE . 28095 1 122 . LEU . 28095 1 123 . LEU . 28095 1 124 . GLU . 28095 1 125 . ARG . 28095 1 126 . MET . 28095 1 127 . ASN . 28095 1 128 . LEU . 28095 1 129 . THR . 28095 1 130 . GLY . 28095 1 131 . TYR . 28095 1 132 . PHE . 28095 1 133 . ASP . 28095 1 134 . ALA . 28095 1 135 . ILE . 28095 1 136 . ALA . 28095 1 137 . ASP . 28095 1 138 . PRO . 28095 1 139 . ALA . 28095 1 140 . GLU . 28095 1 141 . VAL . 28095 1 142 . ALA . 28095 1 143 . ALA . 28095 1 144 . SER . 28095 1 145 . LYS . 28095 1 146 . PRO . 28095 1 147 . ALA . 28095 1 148 . PRO . 28095 1 149 . ASP . 28095 1 150 . ILE . 28095 1 151 . PHE . 28095 1 152 . ILE . 28095 1 153 . ALA . 28095 1 154 . ALA . 28095 1 155 . ALA . 28095 1 156 . HIS . 28095 1 157 . ALA . 28095 1 158 . VAL . 28095 1 159 . GLY . 28095 1 160 . VAL . 28095 1 161 . ALA . 28095 1 162 . PRO . 28095 1 163 . SER . 28095 1 164 . GLU . 28095 1 165 . SER . 28095 1 166 . ILE . 28095 1 167 . GLY . 28095 1 168 . LEU . 28095 1 169 . GLU . 28095 1 170 . ASP . 28095 1 171 . SER . 28095 1 172 . GLN . 28095 1 173 . ALA . 28095 1 174 . GLY . 28095 1 175 . ILE . 28095 1 176 . GLN . 28095 1 177 . ALA . 28095 1 178 . ILE . 28095 1 179 . LYS . 28095 1 180 . ASP . 28095 1 181 . SER . 28095 1 182 . GLY . 28095 1 183 . ALA . 28095 1 184 . LEU . 28095 1 185 . PRO . 28095 1 186 . ILE . 28095 1 187 . GLY . 28095 1 188 . VAL . 28095 1 189 . GLY . 28095 1 190 . ARG . 28095 1 191 . PRO . 28095 1 192 . GLU . 28095 1 193 . ASP . 28095 1 194 . LEU . 28095 1 195 . GLY . 28095 1 196 . ASP . 28095 1 197 . ASP . 28095 1 198 . ILE . 28095 1 199 . VAL . 28095 1 200 . ILE . 28095 1 201 . VAL . 28095 1 202 . PRO . 28095 1 203 . ASP . 28095 1 204 . THR . 28095 1 205 . SER . 28095 1 206 . HIS . 28095 1 207 . TYR . 28095 1 208 . THR . 28095 1 209 . LEU . 28095 1 210 . GLU . 28095 1 211 . PHE . 28095 1 212 . LEU . 28095 1 213 . LYS . 28095 1 214 . GLU . 28095 1 215 . VAL . 28095 1 216 . TRP . 28095 1 217 . LEU . 28095 1 218 . GLN . 28095 1 219 . LYS . 28095 1 220 . GLN . 28095 1 221 . LYS . 28095 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 28095 1 . PHE 2 2 28095 1 . LYS 3 3 28095 1 . ALA 4 4 28095 1 . VAL 5 5 28095 1 . LEU 6 6 28095 1 . PHE 7 7 28095 1 . ASP 8 8 28095 1 . LEU 9 9 28095 1 . ASN 10 10 28095 1 . GLY 11 11 28095 1 . VAL 12 12 28095 1 . ILE 13 13 28095 1 . THR 14 14 28095 1 . ASP 15 15 28095 1 . THR 16 16 28095 1 . ALA 17 17 28095 1 . GLU 18 18 28095 1 . TYR 19 19 28095 1 . HIS 20 20 28095 1 . PHE 21 21 28095 1 . ARG 22 22 28095 1 . ALA 23 23 28095 1 . TRP 24 24 28095 1 . LYS 25 25 28095 1 . ALA 26 26 28095 1 . LEU 27 27 28095 1 . ALA 28 28 28095 1 . GLU 29 29 28095 1 . GLU 30 30 28095 1 . ILE 31 31 28095 1 . GLY 32 32 28095 1 . ILE 33 33 28095 1 . ASN 34 34 28095 1 . GLY 35 35 28095 1 . VAL 36 36 28095 1 . ASP 37 37 28095 1 . ARG 38 38 28095 1 . GLN 39 39 28095 1 . PHE 40 40 28095 1 . ASN 41 41 28095 1 . GLU 42 42 28095 1 . GLN 43 43 28095 1 . LEU 44 44 28095 1 . LYS 45 45 28095 1 . GLY 46 46 28095 1 . VAL 47 47 28095 1 . SER 48 48 28095 1 . ARG 49 49 28095 1 . GLU 50 50 28095 1 . ASP 51 51 28095 1 . SER 52 52 28095 1 . LEU 53 53 28095 1 . GLN 54 54 28095 1 . LYS 55 55 28095 1 . ILE 56 56 28095 1 . LEU 57 57 28095 1 . ASP 58 58 28095 1 . LEU 59 59 28095 1 . ALA 60 60 28095 1 . ASP 61 61 28095 1 . LYS 62 62 28095 1 . LYS 63 63 28095 1 . VAL 64 64 28095 1 . SER 65 65 28095 1 . ALA 66 66 28095 1 . GLU 67 67 28095 1 . GLU 68 68 28095 1 . PHE 69 69 28095 1 . LYS 70 70 28095 1 . GLU 71 71 28095 1 . LEU 72 72 28095 1 . ALA 73 73 28095 1 . LYS 74 74 28095 1 . ARG 75 75 28095 1 . LYS 76 76 28095 1 . ASN 77 77 28095 1 . ASP 78 78 28095 1 . ASN 79 79 28095 1 . TYR 80 80 28095 1 . VAL 81 81 28095 1 . LYS 82 82 28095 1 . MET 83 83 28095 1 . ILE 84 84 28095 1 . GLN 85 85 28095 1 . ASP 86 86 28095 1 . VAL 87 87 28095 1 . SER 88 88 28095 1 . PRO 89 89 28095 1 . ALA 90 90 28095 1 . ASP 91 91 28095 1 . VAL 92 92 28095 1 . TYR 93 93 28095 1 . PRO 94 94 28095 1 . GLY 95 95 28095 1 . ILE 96 96 28095 1 . LEU 97 97 28095 1 . GLN 98 98 28095 1 . LEU 99 99 28095 1 . LEU 100 100 28095 1 . LYS 101 101 28095 1 . ASP 102 102 28095 1 . LEU 103 103 28095 1 . ARG 104 104 28095 1 . SER 105 105 28095 1 . ASN 106 106 28095 1 . LYS 107 107 28095 1 . ILE 108 108 28095 1 . LYS 109 109 28095 1 . ILE 110 110 28095 1 . ALA 111 111 28095 1 . LEU 112 112 28095 1 . ALA 113 113 28095 1 . SER 114 114 28095 1 . ALA 115 115 28095 1 . SER 116 116 28095 1 . LYS 117 117 28095 1 . ASN 118 118 28095 1 . GLY 119 119 28095 1 . PRO 120 120 28095 1 . PHE 121 121 28095 1 . LEU 122 122 28095 1 . LEU 123 123 28095 1 . GLU 124 124 28095 1 . ARG 125 125 28095 1 . MET 126 126 28095 1 . ASN 127 127 28095 1 . LEU 128 128 28095 1 . THR 129 129 28095 1 . GLY 130 130 28095 1 . TYR 131 131 28095 1 . PHE 132 132 28095 1 . ASP 133 133 28095 1 . ALA 134 134 28095 1 . ILE 135 135 28095 1 . ALA 136 136 28095 1 . ASP 137 137 28095 1 . PRO 138 138 28095 1 . ALA 139 139 28095 1 . GLU 140 140 28095 1 . VAL 141 141 28095 1 . ALA 142 142 28095 1 . ALA 143 143 28095 1 . SER 144 144 28095 1 . LYS 145 145 28095 1 . PRO 146 146 28095 1 . ALA 147 147 28095 1 . PRO 148 148 28095 1 . ASP 149 149 28095 1 . ILE 150 150 28095 1 . PHE 151 151 28095 1 . ILE 152 152 28095 1 . ALA 153 153 28095 1 . ALA 154 154 28095 1 . ALA 155 155 28095 1 . HIS 156 156 28095 1 . ALA 157 157 28095 1 . VAL 158 158 28095 1 . GLY 159 159 28095 1 . VAL 160 160 28095 1 . ALA 161 161 28095 1 . PRO 162 162 28095 1 . SER 163 163 28095 1 . GLU 164 164 28095 1 . SER 165 165 28095 1 . ILE 166 166 28095 1 . GLY 167 167 28095 1 . LEU 168 168 28095 1 . GLU 169 169 28095 1 . ASP 170 170 28095 1 . SER 171 171 28095 1 . GLN 172 172 28095 1 . ALA 173 173 28095 1 . GLY 174 174 28095 1 . ILE 175 175 28095 1 . GLN 176 176 28095 1 . ALA 177 177 28095 1 . ILE 178 178 28095 1 . LYS 179 179 28095 1 . ASP 180 180 28095 1 . SER 181 181 28095 1 . GLY 182 182 28095 1 . ALA 183 183 28095 1 . LEU 184 184 28095 1 . PRO 185 185 28095 1 . ILE 186 186 28095 1 . GLY 187 187 28095 1 . VAL 188 188 28095 1 . GLY 189 189 28095 1 . ARG 190 190 28095 1 . PRO 191 191 28095 1 . GLU 192 192 28095 1 . ASP 193 193 28095 1 . LEU 194 194 28095 1 . GLY 195 195 28095 1 . ASP 196 196 28095 1 . ASP 197 197 28095 1 . ILE 198 198 28095 1 . VAL 199 199 28095 1 . ILE 200 200 28095 1 . VAL 201 201 28095 1 . PRO 202 202 28095 1 . ASP 203 203 28095 1 . THR 204 204 28095 1 . SER 205 205 28095 1 . HIS 206 206 28095 1 . TYR 207 207 28095 1 . THR 208 208 28095 1 . LEU 209 209 28095 1 . GLU 210 210 28095 1 . PHE 211 211 28095 1 . LEU 212 212 28095 1 . LYS 213 213 28095 1 . GLU 214 214 28095 1 . VAL 215 215 28095 1 . TRP 216 216 28095 1 . LEU 217 217 28095 1 . GLN 218 218 28095 1 . LYS 219 219 28095 1 . GLN 220 220 28095 1 . LYS 221 221 28095 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 28095 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name 'MAGNESIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 28095 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 28095 2 MG 'Three letter code' 28095 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MG $chem_comp_MG 28095 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28095 _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 $beta-phosphoglucomutase . 1358 organism . 'Lactococcus lactis' 'Lactococcus lactis' . . Bacteria . Lactococcus lactis . . . . . . . . . . . pgmB . 28095 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 28095 _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 $beta-phosphoglucomutase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET-22b(+) . . . 28095 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 28095 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 28095 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 28095 MG [Mg++] SMILES CACTVS 3.341 28095 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 28095 MG [Mg+2] SMILES ACDLabs 10.04 28095 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 28095 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 28095 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 28095 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 28095 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 28095 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28095 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 beta-phosphoglucomutase '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $beta-phosphoglucomutase . . 1.0 . . mM . . . . 28095 1 2 'potassium HEPES buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 28095 1 3 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 28095 1 4 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 28095 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 28095 1 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 28095 1 7 TSP [U-2H] . . . . . . 2 . . mM . . . . 28095 1 8 TRIS 'natural abundance' . . . . . . 5 . . mM . . . . 28095 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 28095 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 74 . mM 28095 1 pH 7.2 . pH 28095 1 pressure 1 . atm 28095 1 temperature 298 . K 28095 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28095 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28095 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28095 1 processing . 28095 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 28095 _Software.ID 2 _Software.Type . _Software.Name Felix _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 28095 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28095 2 'data analysis' . 28095 2 'peak picking' . 28095 2 processing . 28095 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28095 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28095 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 28095 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 28095 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28095 1 2 '3D TROSY-HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28095 1 3 '3D TROSY HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28095 1 4 '3D TROSY HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28095 1 5 '3D TROSY HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28095 1 6 '3D TROSY HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28095 1 7 '3D TROSY HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28095 1 8 '3D TROSY (H)N(COCA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28095 1 9 '3D TROSY H-(NCOCA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28095 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28095 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28095 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28095 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28095 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28095 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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' . . . 28095 1 2 '3D TROSY-HNCO' . . . 28095 1 3 '3D TROSY HN(CA)CO' . . . 28095 1 4 '3D TROSY HNCA' . . . 28095 1 5 '3D TROSY HN(CO)CA' . . . 28095 1 6 '3D TROSY HNCACB' . . . 28095 1 7 '3D TROSY HN(CO)CACB' . . . 28095 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide protons' . . . 28095 1 'TROSY offset' 'amide nitrogens' . . . 28095 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 $TOPSPIN . . 28095 1 2 $Felix . . 28095 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 13 174.643 0.050 . 1 . . . . . 1 MET C . 28095 1 2 . 1 . 1 2 2 PHE H H 1 5.292 0.005 . 1 . . . . . 2 PHE HN . 28095 1 3 . 1 . 1 2 2 PHE C C 13 173.881 0.050 . 1 . . . . . 2 PHE C . 28095 1 4 . 1 . 1 2 2 PHE CA C 13 55.837 0.050 . 1 . . . . . 2 PHE CA . 28095 1 5 . 1 . 1 2 2 PHE CB C 13 35.903 0.050 . 1 . . . . . 2 PHE CB . 28095 1 6 . 1 . 1 2 2 PHE N N 15 117.168 0.050 . 1 . . . . . 2 PHE N . 28095 1 7 . 1 . 1 3 3 LYS H H 1 8.812 0.005 . 1 . . . . . 3 LYS HN . 28095 1 8 . 1 . 1 3 3 LYS C C 13 176.665 0.050 . 1 . . . . . 3 LYS C . 28095 1 9 . 1 . 1 3 3 LYS CA C 13 55.629 0.050 . 1 . . . . . 3 LYS CA . 28095 1 10 . 1 . 1 3 3 LYS CB C 13 35.645 0.050 . 1 . . . . . 3 LYS CB . 28095 1 11 . 1 . 1 3 3 LYS N N 15 116.280 0.050 . 1 . . . . . 3 LYS N . 28095 1 12 . 1 . 1 4 4 ALA H H 1 7.680 0.005 . 1 . . . . . 4 ALA HN . 28095 1 13 . 1 . 1 4 4 ALA C C 13 175.365 0.050 . 1 . . . . . 4 ALA C . 28095 1 14 . 1 . 1 4 4 ALA CA C 13 50.730 0.050 . 1 . . . . . 4 ALA CA . 28095 1 15 . 1 . 1 4 4 ALA CB C 13 22.578 0.050 . 1 . . . . . 4 ALA CB . 28095 1 16 . 1 . 1 4 4 ALA N N 15 121.034 0.050 . 1 . . . . . 4 ALA N . 28095 1 17 . 1 . 1 5 5 VAL H H 1 8.699 0.005 . 1 . . . . . 5 VAL HN . 28095 1 18 . 1 . 1 5 5 VAL C C 13 172.768 0.050 . 1 . . . . . 5 VAL C . 28095 1 19 . 1 . 1 5 5 VAL CA C 13 61.032 0.050 . 1 . . . . . 5 VAL CA . 28095 1 20 . 1 . 1 5 5 VAL CB C 13 32.691 0.050 . 1 . . . . . 5 VAL CB . 28095 1 21 . 1 . 1 5 5 VAL N N 15 119.864 0.050 . 1 . . . . . 5 VAL N . 28095 1 22 . 1 . 1 6 6 LEU H H 1 9.318 0.005 . 1 . . . . . 6 LEU HN . 28095 1 23 . 1 . 1 6 6 LEU C C 13 175.576 0.050 . 1 . . . . . 6 LEU C . 28095 1 24 . 1 . 1 6 6 LEU CA C 13 51.761 0.050 . 1 . . . . . 6 LEU CA . 28095 1 25 . 1 . 1 6 6 LEU CB C 13 40.642 0.050 . 1 . . . . . 6 LEU CB . 28095 1 26 . 1 . 1 6 6 LEU N N 15 125.887 0.050 . 1 . . . . . 6 LEU N . 28095 1 27 . 1 . 1 7 7 PHE H H 1 9.425 0.005 . 1 . . . . . 7 PHE HN . 28095 1 28 . 1 . 1 7 7 PHE C C 13 177.315 0.050 . 1 . . . . . 7 PHE C . 28095 1 29 . 1 . 1 7 7 PHE CA C 13 59.003 0.050 . 1 . . . . . 7 PHE CA . 28095 1 30 . 1 . 1 7 7 PHE CB C 13 40.715 0.050 . 1 . . . . . 7 PHE CB . 28095 1 31 . 1 . 1 7 7 PHE N N 15 122.408 0.050 . 1 . . . . . 7 PHE N . 28095 1 32 . 1 . 1 8 8 ASP H H 1 7.203 0.005 . 1 . . . . . 8 ASP HN . 28095 1 33 . 1 . 1 8 8 ASP CA C 13 54.399 0.050 . 1 . . . . . 8 ASP CA . 28095 1 34 . 1 . 1 8 8 ASP N N 15 121.468 0.050 . 1 . . . . . 8 ASP N . 28095 1 35 . 1 . 1 11 11 GLY C C 13 171.764 0.050 . 1 . . . . . 11 GLY C . 28095 1 36 . 1 . 1 11 11 GLY CA C 13 44.804 0.050 . 1 . . . . . 11 GLY CA . 28095 1 37 . 1 . 1 12 12 VAL H H 1 7.452 0.005 . 1 . . . . . 12 VAL HN . 28095 1 38 . 1 . 1 12 12 VAL C C 13 172.726 0.050 . 1 . . . . . 12 VAL C . 28095 1 39 . 1 . 1 12 12 VAL CA C 13 64.215 0.050 . 1 . . . . . 12 VAL CA . 28095 1 40 . 1 . 1 12 12 VAL CB C 13 33.269 0.050 . 1 . . . . . 12 VAL CB . 28095 1 41 . 1 . 1 12 12 VAL N N 15 118.211 0.050 . 1 . . . . . 12 VAL N . 28095 1 42 . 1 . 1 13 13 ILE H H 1 8.067 0.005 . 1 . . . . . 13 ILE HN . 28095 1 43 . 1 . 1 13 13 ILE C C 13 175.378 0.050 . 1 . . . . . 13 ILE C . 28095 1 44 . 1 . 1 13 13 ILE CA C 13 63.538 0.050 . 1 . . . . . 13 ILE CA . 28095 1 45 . 1 . 1 13 13 ILE CB C 13 38.410 0.050 . 1 . . . . . 13 ILE CB . 28095 1 46 . 1 . 1 13 13 ILE N N 15 114.485 0.050 . 1 . . . . . 13 ILE N . 28095 1 47 . 1 . 1 14 14 THR H H 1 7.195 0.005 . 1 . . . . . 14 THR HN . 28095 1 48 . 1 . 1 14 14 THR C C 13 171.914 0.050 . 1 . . . . . 14 THR C . 28095 1 49 . 1 . 1 14 14 THR CA C 13 59.078 0.050 . 1 . . . . . 14 THR CA . 28095 1 50 . 1 . 1 14 14 THR CB C 13 67.115 0.050 . 1 . . . . . 14 THR CB . 28095 1 51 . 1 . 1 14 14 THR N N 15 109.322 0.050 . 1 . . . . . 14 THR N . 28095 1 52 . 1 . 1 15 15 ASP H H 1 8.218 0.005 . 1 . . . . . 15 ASP HN . 28095 1 53 . 1 . 1 15 15 ASP C C 13 176.715 0.050 . 1 . . . . . 15 ASP C . 28095 1 54 . 1 . 1 15 15 ASP CA C 13 53.678 0.050 . 1 . . . . . 15 ASP CA . 28095 1 55 . 1 . 1 15 15 ASP CB C 13 42.639 0.050 . 1 . . . . . 15 ASP CB . 28095 1 56 . 1 . 1 15 15 ASP N N 15 121.200 0.050 . 1 . . . . . 15 ASP N . 28095 1 57 . 1 . 1 16 16 THR H H 1 9.257 0.005 . 1 . . . . . 16 THR HN . 28095 1 58 . 1 . 1 16 16 THR C C 13 176.233 0.050 . 1 . . . . . 16 THR C . 28095 1 59 . 1 . 1 16 16 THR CA C 13 61.040 0.050 . 1 . . . . . 16 THR CA . 28095 1 60 . 1 . 1 16 16 THR CB C 13 68.709 0.050 . 1 . . . . . 16 THR CB . 28095 1 61 . 1 . 1 16 16 THR N N 15 115.201 0.050 . 1 . . . . . 16 THR N . 28095 1 62 . 1 . 1 17 17 ALA H H 1 9.002 0.005 . 1 . . . . . 17 ALA HN . 28095 1 63 . 1 . 1 17 17 ALA C C 13 180.990 0.050 . 1 . . . . . 17 ALA C . 28095 1 64 . 1 . 1 17 17 ALA CA C 13 56.222 0.050 . 1 . . . . . 17 ALA CA . 28095 1 65 . 1 . 1 17 17 ALA CB C 13 18.223 0.050 . 1 . . . . . 17 ALA CB . 28095 1 66 . 1 . 1 17 17 ALA N N 15 128.848 0.050 . 1 . . . . . 17 ALA N . 28095 1 67 . 1 . 1 18 18 GLU H H 1 9.209 0.005 . 1 . . . . . 18 GLU HN . 28095 1 68 . 1 . 1 18 18 GLU C C 13 178.238 0.050 . 1 . . . . . 18 GLU C . 28095 1 69 . 1 . 1 18 18 GLU CA C 13 58.426 0.050 . 1 . . . . . 18 GLU CA . 28095 1 70 . 1 . 1 18 18 GLU CB C 13 28.378 0.050 . 1 . . . . . 18 GLU CB . 28095 1 71 . 1 . 1 18 18 GLU N N 15 119.792 0.050 . 1 . . . . . 18 GLU N . 28095 1 72 . 1 . 1 19 19 TYR H H 1 7.330 0.005 . 1 . . . . . 19 TYR HN . 28095 1 73 . 1 . 1 19 19 TYR C C 13 178.712 0.050 . 1 . . . . . 19 TYR C . 28095 1 74 . 1 . 1 19 19 TYR CA C 13 60.867 0.050 . 1 . . . . . 19 TYR CA . 28095 1 75 . 1 . 1 19 19 TYR CB C 13 37.187 0.050 . 1 . . . . . 19 TYR CB . 28095 1 76 . 1 . 1 19 19 TYR N N 15 118.094 0.050 . 1 . . . . . 19 TYR N . 28095 1 77 . 1 . 1 20 20 HIS H H 1 8.015 0.005 . 1 . . . . . 20 HIS HN . 28095 1 78 . 1 . 1 20 20 HIS C C 13 177.338 0.050 . 1 . . . . . 20 HIS C . 28095 1 79 . 1 . 1 20 20 HIS CA C 13 61.697 0.050 . 1 . . . . . 20 HIS CA . 28095 1 80 . 1 . 1 20 20 HIS CB C 13 30.767 0.050 . 1 . . . . . 20 HIS CB . 28095 1 81 . 1 . 1 20 20 HIS N N 15 119.096 0.050 . 1 . . . . . 20 HIS N . 28095 1 82 . 1 . 1 21 21 PHE H H 1 8.394 0.005 . 1 . . . . . 21 PHE HN . 28095 1 83 . 1 . 1 21 21 PHE C C 13 176.988 0.050 . 1 . . . . . 21 PHE C . 28095 1 84 . 1 . 1 21 21 PHE CA C 13 60.217 0.050 . 1 . . . . . 21 PHE CA . 28095 1 85 . 1 . 1 21 21 PHE CB C 13 37.457 0.050 . 1 . . . . . 21 PHE CB . 28095 1 86 . 1 . 1 21 21 PHE N N 15 119.080 0.050 . 1 . . . . . 21 PHE N . 28095 1 87 . 1 . 1 22 22 ARG H H 1 8.409 0.005 . 1 . . . . . 22 ARG HN . 28095 1 88 . 1 . 1 22 22 ARG C C 13 179.560 0.050 . 1 . . . . . 22 ARG C . 28095 1 89 . 1 . 1 22 22 ARG CA C 13 59.306 0.050 . 1 . . . . . 22 ARG CA . 28095 1 90 . 1 . 1 22 22 ARG CB C 13 29.857 0.050 . 1 . . . . . 22 ARG CB . 28095 1 91 . 1 . 1 22 22 ARG N N 15 117.815 0.050 . 1 . . . . . 22 ARG N . 28095 1 92 . 1 . 1 23 23 ALA H H 1 8.188 0.005 . 1 . . . . . 23 ALA HN . 28095 1 93 . 1 . 1 23 23 ALA C C 13 179.781 0.050 . 1 . . . . . 23 ALA C . 28095 1 94 . 1 . 1 23 23 ALA CA C 13 55.263 0.050 . 1 . . . . . 23 ALA CA . 28095 1 95 . 1 . 1 23 23 ALA CB C 13 17.857 0.050 . 1 . . . . . 23 ALA CB . 28095 1 96 . 1 . 1 23 23 ALA N N 15 123.241 0.050 . 1 . . . . . 23 ALA N . 28095 1 97 . 1 . 1 24 24 TRP H H 1 8.526 0.005 . 1 . . . . . 24 TRP HN . 28095 1 98 . 1 . 1 24 24 TRP C C 13 178.644 0.050 . 1 . . . . . 24 TRP C . 28095 1 99 . 1 . 1 24 24 TRP CA C 13 59.291 0.050 . 1 . . . . . 24 TRP CA . 28095 1 100 . 1 . 1 24 24 TRP CB C 13 29.815 0.050 . 1 . . . . . 24 TRP CB . 28095 1 101 . 1 . 1 24 24 TRP N N 15 120.042 0.050 . 1 . . . . . 24 TRP N . 28095 1 102 . 1 . 1 25 25 LYS H H 1 8.837 0.005 . 1 . . . . . 25 LYS HN . 28095 1 103 . 1 . 1 25 25 LYS C C 13 178.208 0.050 . 1 . . . . . 25 LYS C . 28095 1 104 . 1 . 1 25 25 LYS CA C 13 59.595 0.050 . 1 . . . . . 25 LYS CA . 28095 1 105 . 1 . 1 25 25 LYS CB C 13 31.453 0.050 . 1 . . . . . 25 LYS CB . 28095 1 106 . 1 . 1 25 25 LYS N N 15 120.879 0.050 . 1 . . . . . 25 LYS N . 28095 1 107 . 1 . 1 26 26 ALA H H 1 7.825 0.005 . 1 . . . . . 26 ALA HN . 28095 1 108 . 1 . 1 26 26 ALA C C 13 180.692 0.050 . 1 . . . . . 26 ALA C . 28095 1 109 . 1 . 1 26 26 ALA CA C 13 54.159 0.050 . 1 . . . . . 26 ALA CA . 28095 1 110 . 1 . 1 26 26 ALA CB C 13 17.145 0.050 . 1 . . . . . 26 ALA CB . 28095 1 111 . 1 . 1 26 26 ALA N N 15 119.553 0.050 . 1 . . . . . 26 ALA N . 28095 1 112 . 1 . 1 27 27 LEU H H 1 7.473 0.005 . 1 . . . . . 27 LEU HN . 28095 1 113 . 1 . 1 27 27 LEU C C 13 178.106 0.050 . 1 . . . . . 27 LEU C . 28095 1 114 . 1 . 1 27 27 LEU CA C 13 57.087 0.050 . 1 . . . . . 27 LEU CA . 28095 1 115 . 1 . 1 27 27 LEU CB C 13 41.484 0.050 . 1 . . . . . 27 LEU CB . 28095 1 116 . 1 . 1 27 27 LEU N N 15 120.310 0.050 . 1 . . . . . 27 LEU N . 28095 1 117 . 1 . 1 28 28 ALA H H 1 8.673 0.005 . 1 . . . . . 28 ALA HN . 28095 1 118 . 1 . 1 28 28 ALA C C 13 179.743 0.050 . 1 . . . . . 28 ALA C . 28095 1 119 . 1 . 1 28 28 ALA CA C 13 55.033 0.050 . 1 . . . . . 28 ALA CA . 28095 1 120 . 1 . 1 28 28 ALA CB C 13 17.343 0.050 . 1 . . . . . 28 ALA CB . 28095 1 121 . 1 . 1 28 28 ALA N N 15 120.867 0.050 . 1 . . . . . 28 ALA N . 28095 1 122 . 1 . 1 29 29 GLU H H 1 8.288 0.005 . 1 . . . . . 29 GLU HN . 28095 1 123 . 1 . 1 29 29 GLU C C 13 180.242 0.050 . 1 . . . . . 29 GLU C . 28095 1 124 . 1 . 1 29 29 GLU CA C 13 58.742 0.050 . 1 . . . . . 29 GLU CA . 28095 1 125 . 1 . 1 29 29 GLU CB C 13 28.305 0.050 . 1 . . . . . 29 GLU CB . 28095 1 126 . 1 . 1 29 29 GLU N N 15 116.949 0.050 . 1 . . . . . 29 GLU N . 28095 1 127 . 1 . 1 30 30 GLU H H 1 7.854 0.005 . 1 . . . . . 30 GLU HN . 28095 1 128 . 1 . 1 30 30 GLU C C 13 178.794 0.050 . 1 . . . . . 30 GLU C . 28095 1 129 . 1 . 1 30 30 GLU CA C 13 58.873 0.050 . 1 . . . . . 30 GLU CA . 28095 1 130 . 1 . 1 30 30 GLU CB C 13 28.794 0.050 . 1 . . . . . 30 GLU CB . 28095 1 131 . 1 . 1 30 30 GLU N N 15 121.329 0.050 . 1 . . . . . 30 GLU N . 28095 1 132 . 1 . 1 31 31 ILE H H 1 7.670 0.005 . 1 . . . . . 31 ILE HN . 28095 1 133 . 1 . 1 31 31 ILE C C 13 175.972 0.050 . 1 . . . . . 31 ILE C . 28095 1 134 . 1 . 1 31 31 ILE CA C 13 61.013 0.050 . 1 . . . . . 31 ILE CA . 28095 1 135 . 1 . 1 31 31 ILE CB C 13 36.931 0.050 . 1 . . . . . 31 ILE CB . 28095 1 136 . 1 . 1 31 31 ILE N N 15 111.716 0.050 . 1 . . . . . 31 ILE N . 28095 1 137 . 1 . 1 32 32 GLY H H 1 7.605 0.005 . 1 . . . . . 32 GLY HN . 28095 1 138 . 1 . 1 32 32 GLY C C 13 174.563 0.050 . 1 . . . . . 32 GLY C . 28095 1 139 . 1 . 1 32 32 GLY CA C 13 45.959 0.050 . 1 . . . . . 32 GLY CA . 28095 1 140 . 1 . 1 32 32 GLY N N 15 109.548 0.050 . 1 . . . . . 32 GLY N . 28095 1 141 . 1 . 1 33 33 ILE H H 1 8.285 0.005 . 1 . . . . . 33 ILE HN . 28095 1 142 . 1 . 1 33 33 ILE C C 13 175.029 0.050 . 1 . . . . . 33 ILE C . 28095 1 143 . 1 . 1 33 33 ILE CA C 13 60.908 0.050 . 1 . . . . . 33 ILE CA . 28095 1 144 . 1 . 1 33 33 ILE CB C 13 38.312 0.050 . 1 . . . . . 33 ILE CB . 28095 1 145 . 1 . 1 33 33 ILE N N 15 122.350 0.050 . 1 . . . . . 33 ILE N . 28095 1 146 . 1 . 1 34 34 ASN H H 1 8.536 0.005 . 1 . . . . . 34 ASN HN . 28095 1 147 . 1 . 1 34 34 ASN C C 13 175.152 0.050 . 1 . . . . . 34 ASN C . 28095 1 148 . 1 . 1 34 34 ASN CA C 13 52.587 0.050 . 1 . . . . . 34 ASN CA . 28095 1 149 . 1 . 1 34 34 ASN CB C 13 39.426 0.050 . 1 . . . . . 34 ASN CB . 28095 1 150 . 1 . 1 34 34 ASN N N 15 126.047 0.050 . 1 . . . . . 34 ASN N . 28095 1 151 . 1 . 1 35 35 GLY H H 1 7.945 0.005 . 1 . . . . . 35 GLY HN . 28095 1 152 . 1 . 1 35 35 GLY C C 13 174.213 0.050 . 1 . . . . . 35 GLY C . 28095 1 153 . 1 . 1 35 35 GLY CA C 13 44.847 0.050 . 1 . . . . . 35 GLY CA . 28095 1 154 . 1 . 1 35 35 GLY N N 15 107.471 0.050 . 1 . . . . . 35 GLY N . 28095 1 155 . 1 . 1 36 36 VAL H H 1 8.454 0.005 . 1 . . . . . 36 VAL HN . 28095 1 156 . 1 . 1 36 36 VAL C C 13 174.088 0.050 . 1 . . . . . 36 VAL C . 28095 1 157 . 1 . 1 36 36 VAL CA C 13 62.471 0.050 . 1 . . . . . 36 VAL CA . 28095 1 158 . 1 . 1 36 36 VAL CB C 13 28.620 0.050 . 1 . . . . . 36 VAL CB . 28095 1 159 . 1 . 1 36 36 VAL N N 15 122.107 0.050 . 1 . . . . . 36 VAL N . 28095 1 160 . 1 . 1 37 37 ASP H H 1 7.555 0.005 . 1 . . . . . 37 ASP HN . 28095 1 161 . 1 . 1 37 37 ASP C C 13 176.525 0.050 . 1 . . . . . 37 ASP C . 28095 1 162 . 1 . 1 37 37 ASP CA C 13 51.563 0.050 . 1 . . . . . 37 ASP CA . 28095 1 163 . 1 . 1 37 37 ASP CB C 13 41.619 0.050 . 1 . . . . . 37 ASP CB . 28095 1 164 . 1 . 1 37 37 ASP N N 15 126.142 0.050 . 1 . . . . . 37 ASP N . 28095 1 165 . 1 . 1 38 38 ARG C C 13 178.634 0.050 . 1 . . . . . 38 ARG C . 28095 1 166 . 1 . 1 38 38 ARG CA C 13 59.319 0.050 . 1 . . . . . 38 ARG CA . 28095 1 167 . 1 . 1 38 38 ARG CB C 13 28.332 0.050 . 1 . . . . . 38 ARG CB . 28095 1 168 . 1 . 1 39 39 GLN H H 1 8.048 0.005 . 1 . . . . . 39 GLN HN . 28095 1 169 . 1 . 1 39 39 GLN C C 13 178.803 0.050 . 1 . . . . . 39 GLN C . 28095 1 170 . 1 . 1 39 39 GLN CA C 13 58.487 0.050 . 1 . . . . . 39 GLN CA . 28095 1 171 . 1 . 1 39 39 GLN CB C 13 27.249 0.050 . 1 . . . . . 39 GLN CB . 28095 1 172 . 1 . 1 39 39 GLN N N 15 119.685 0.050 . 1 . . . . . 39 GLN N . 28095 1 173 . 1 . 1 40 40 PHE H H 1 8.583 0.005 . 1 . . . . . 40 PHE HN . 28095 1 174 . 1 . 1 40 40 PHE C C 13 177.605 0.050 . 1 . . . . . 40 PHE C . 28095 1 175 . 1 . 1 40 40 PHE CA C 13 61.176 0.050 . 1 . . . . . 40 PHE CA . 28095 1 176 . 1 . 1 40 40 PHE CB C 13 38.812 0.050 . 1 . . . . . 40 PHE CB . 28095 1 177 . 1 . 1 40 40 PHE N N 15 123.805 0.050 . 1 . . . . . 40 PHE N . 28095 1 178 . 1 . 1 41 41 ASN H H 1 8.348 0.005 . 1 . . . . . 41 ASN HN . 28095 1 179 . 1 . 1 41 41 ASN C C 13 177.503 0.050 . 1 . . . . . 41 ASN C . 28095 1 180 . 1 . 1 41 41 ASN CA C 13 56.071 0.050 . 1 . . . . . 41 ASN CA . 28095 1 181 . 1 . 1 41 41 ASN CB C 13 39.226 0.050 . 1 . . . . . 41 ASN CB . 28095 1 182 . 1 . 1 41 41 ASN N N 15 116.002 0.050 . 1 . . . . . 41 ASN N . 28095 1 183 . 1 . 1 42 42 GLU H H 1 7.716 0.005 . 1 . . . . . 42 GLU HN . 28095 1 184 . 1 . 1 42 42 GLU C C 13 179.108 0.050 . 1 . . . . . 42 GLU C . 28095 1 185 . 1 . 1 42 42 GLU CA C 13 58.699 0.050 . 1 . . . . . 42 GLU CA . 28095 1 186 . 1 . 1 42 42 GLU CB C 13 28.395 0.050 . 1 . . . . . 42 GLU CB . 28095 1 187 . 1 . 1 42 42 GLU N N 15 119.049 0.050 . 1 . . . . . 42 GLU N . 28095 1 188 . 1 . 1 43 43 GLN H H 1 7.673 0.005 . 1 . . . . . 43 GLN HN . 28095 1 189 . 1 . 1 43 43 GLN C C 13 176.265 0.050 . 1 . . . . . 43 GLN C . 28095 1 190 . 1 . 1 43 43 GLN CA C 13 56.267 0.050 . 1 . . . . . 43 GLN CA . 28095 1 191 . 1 . 1 43 43 GLN CB C 13 27.421 0.050 . 1 . . . . . 43 GLN CB . 28095 1 192 . 1 . 1 43 43 GLN N N 15 115.930 0.050 . 1 . . . . . 43 GLN N . 28095 1 193 . 1 . 1 46 46 GLY C C 13 174.337 0.050 . 1 . . . . . 46 GLY C . 28095 1 194 . 1 . 1 46 46 GLY CA C 13 45.451 0.050 . 1 . . . . . 46 GLY CA . 28095 1 195 . 1 . 1 47 47 VAL H H 1 7.484 0.005 . 1 . . . . . 47 VAL HN . 28095 1 196 . 1 . 1 47 47 VAL C C 13 176.486 0.050 . 1 . . . . . 47 VAL C . 28095 1 197 . 1 . 1 47 47 VAL CA C 13 61.347 0.050 . 1 . . . . . 47 VAL CA . 28095 1 198 . 1 . 1 47 47 VAL CB C 13 31.628 0.050 . 1 . . . . . 47 VAL CB . 28095 1 199 . 1 . 1 47 47 VAL N N 15 120.017 0.050 . 1 . . . . . 47 VAL N . 28095 1 200 . 1 . 1 53 53 LEU C C 13 178.267 0.050 . 1 . . . . . 53 LEU C . 28095 1 201 . 1 . 1 53 53 LEU CA C 13 57.044 0.050 . 1 . . . . . 53 LEU CA . 28095 1 202 . 1 . 1 53 53 LEU CB C 13 39.284 0.050 . 1 . . . . . 53 LEU CB . 28095 1 203 . 1 . 1 54 54 GLN H H 1 8.149 0.005 . 1 . . . . . 54 GLN HN . 28095 1 204 . 1 . 1 54 54 GLN C C 13 177.219 0.050 . 1 . . . . . 54 GLN C . 28095 1 205 . 1 . 1 54 54 GLN CA C 13 58.199 0.050 . 1 . . . . . 54 GLN CA . 28095 1 206 . 1 . 1 54 54 GLN CB C 13 27.951 0.050 . 1 . . . . . 54 GLN CB . 28095 1 207 . 1 . 1 54 54 GLN N N 15 117.708 0.050 . 1 . . . . . 54 GLN N . 28095 1 208 . 1 . 1 55 55 LYS H H 1 7.587 0.005 . 1 . . . . . 55 LYS HN . 28095 1 209 . 1 . 1 55 55 LYS C C 13 179.565 0.050 . 1 . . . . . 55 LYS C . 28095 1 210 . 1 . 1 55 55 LYS CA C 13 59.183 0.050 . 1 . . . . . 55 LYS CA . 28095 1 211 . 1 . 1 55 55 LYS CB C 13 31.343 0.050 . 1 . . . . . 55 LYS CB . 28095 1 212 . 1 . 1 55 55 LYS N N 15 117.767 0.050 . 1 . . . . . 55 LYS N . 28095 1 213 . 1 . 1 56 56 ILE H H 1 7.525 0.005 . 1 . . . . . 56 ILE HN . 28095 1 214 . 1 . 1 56 56 ILE C C 13 177.418 0.050 . 1 . . . . . 56 ILE C . 28095 1 215 . 1 . 1 56 56 ILE CA C 13 64.892 0.050 . 1 . . . . . 56 ILE CA . 28095 1 216 . 1 . 1 56 56 ILE CB C 13 37.100 0.050 . 1 . . . . . 56 ILE CB . 28095 1 217 . 1 . 1 56 56 ILE N N 15 120.253 0.050 . 1 . . . . . 56 ILE N . 28095 1 218 . 1 . 1 57 57 LEU H H 1 8.311 0.005 . 1 . . . . . 57 LEU HN . 28095 1 219 . 1 . 1 57 57 LEU C C 13 180.803 0.050 . 1 . . . . . 57 LEU C . 28095 1 220 . 1 . 1 57 57 LEU CA C 13 57.782 0.050 . 1 . . . . . 57 LEU CA . 28095 1 221 . 1 . 1 57 57 LEU CB C 13 38.962 0.050 . 1 . . . . . 57 LEU CB . 28095 1 222 . 1 . 1 57 57 LEU N N 15 119.474 0.050 . 1 . . . . . 57 LEU N . 28095 1 223 . 1 . 1 58 58 ASP H H 1 8.667 0.005 . 1 . . . . . 58 ASP HN . 28095 1 224 . 1 . 1 58 58 ASP C C 13 179.485 0.050 . 1 . . . . . 58 ASP C . 28095 1 225 . 1 . 1 58 58 ASP CA C 13 56.407 0.050 . 1 . . . . . 58 ASP CA . 28095 1 226 . 1 . 1 58 58 ASP CB C 13 39.507 0.050 . 1 . . . . . 58 ASP CB . 28095 1 227 . 1 . 1 58 58 ASP N N 15 119.247 0.050 . 1 . . . . . 58 ASP N . 28095 1 228 . 1 . 1 59 59 LEU H H 1 7.727 0.005 . 1 . . . . . 59 LEU HN . 28095 1 229 . 1 . 1 59 59 LEU C C 13 178.334 0.050 . 1 . . . . . 59 LEU C . 28095 1 230 . 1 . 1 59 59 LEU CA C 13 57.310 0.050 . 1 . . . . . 59 LEU CA . 28095 1 231 . 1 . 1 59 59 LEU CB C 13 40.886 0.050 . 1 . . . . . 59 LEU CB . 28095 1 232 . 1 . 1 59 59 LEU N N 15 122.529 0.050 . 1 . . . . . 59 LEU N . 28095 1 233 . 1 . 1 60 60 ALA H H 1 7.206 0.005 . 1 . . . . . 60 ALA HN . 28095 1 234 . 1 . 1 60 60 ALA C C 13 176.014 0.050 . 1 . . . . . 60 ALA C . 28095 1 235 . 1 . 1 60 60 ALA CA C 13 50.374 0.050 . 1 . . . . . 60 ALA CA . 28095 1 236 . 1 . 1 60 60 ALA CB C 13 20.032 0.050 . 1 . . . . . 60 ALA CB . 28095 1 237 . 1 . 1 60 60 ALA N N 15 118.929 0.050 . 1 . . . . . 60 ALA N . 28095 1 238 . 1 . 1 61 61 ASP H H 1 7.887 0.005 . 1 . . . . . 61 ASP HN . 28095 1 239 . 1 . 1 61 61 ASP C C 13 174.730 0.050 . 1 . . . . . 61 ASP C . 28095 1 240 . 1 . 1 61 61 ASP CA C 13 54.992 0.050 . 1 . . . . . 61 ASP CA . 28095 1 241 . 1 . 1 61 61 ASP CB C 13 39.374 0.050 . 1 . . . . . 61 ASP CB . 28095 1 242 . 1 . 1 61 61 ASP N N 15 120.237 0.050 . 1 . . . . . 61 ASP N . 28095 1 243 . 1 . 1 62 62 LYS H H 1 7.836 0.005 . 1 . . . . . 62 LYS HN . 28095 1 244 . 1 . 1 62 62 LYS C C 13 175.500 0.050 . 1 . . . . . 62 LYS C . 28095 1 245 . 1 . 1 62 62 LYS CA C 13 55.352 0.050 . 1 . . . . . 62 LYS CA . 28095 1 246 . 1 . 1 62 62 LYS CB C 13 33.173 0.050 . 1 . . . . . 62 LYS CB . 28095 1 247 . 1 . 1 62 62 LYS N N 15 118.423 0.050 . 1 . . . . . 62 LYS N . 28095 1 248 . 1 . 1 63 63 LYS H H 1 8.511 0.005 . 1 . . . . . 63 LYS HN . 28095 1 249 . 1 . 1 63 63 LYS C C 13 176.365 0.050 . 1 . . . . . 63 LYS C . 28095 1 250 . 1 . 1 63 63 LYS CA C 13 54.445 0.050 . 1 . . . . . 63 LYS CA . 28095 1 251 . 1 . 1 63 63 LYS CB C 13 32.182 0.050 . 1 . . . . . 63 LYS CB . 28095 1 252 . 1 . 1 63 63 LYS N N 15 126.509 0.050 . 1 . . . . . 63 LYS N . 28095 1 253 . 1 . 1 64 64 VAL H H 1 8.441 0.005 . 1 . . . . . 64 VAL HN . 28095 1 254 . 1 . 1 64 64 VAL C C 13 175.826 0.050 . 1 . . . . . 64 VAL C . 28095 1 255 . 1 . 1 64 64 VAL CA C 13 58.270 0.050 . 1 . . . . . 64 VAL CA . 28095 1 256 . 1 . 1 64 64 VAL CB C 13 34.350 0.050 . 1 . . . . . 64 VAL CB . 28095 1 257 . 1 . 1 64 64 VAL N N 15 116.389 0.050 . 1 . . . . . 64 VAL N . 28095 1 258 . 1 . 1 65 65 SER H H 1 9.033 0.005 . 1 . . . . . 65 SER HN . 28095 1 259 . 1 . 1 65 65 SER C C 13 174.666 0.050 . 1 . . . . . 65 SER C . 28095 1 260 . 1 . 1 65 65 SER CA C 13 57.066 0.050 . 1 . . . . . 65 SER CA . 28095 1 261 . 1 . 1 65 65 SER CB C 13 64.779 0.050 . 1 . . . . . 65 SER CB . 28095 1 262 . 1 . 1 65 65 SER N N 15 119.417 0.050 . 1 . . . . . 65 SER N . 28095 1 263 . 1 . 1 66 66 ALA H H 1 8.932 0.005 . 1 . . . . . 66 ALA HN . 28095 1 264 . 1 . 1 66 66 ALA C C 13 181.069 0.050 . 1 . . . . . 66 ALA C . 28095 1 265 . 1 . 1 66 66 ALA CA C 13 55.065 0.050 . 1 . . . . . 66 ALA CA . 28095 1 266 . 1 . 1 66 66 ALA CB C 13 17.195 0.050 . 1 . . . . . 66 ALA CB . 28095 1 267 . 1 . 1 66 66 ALA N N 15 124.046 0.050 . 1 . . . . . 66 ALA N . 28095 1 268 . 1 . 1 67 67 GLU H H 1 8.602 0.005 . 1 . . . . . 67 GLU HN . 28095 1 269 . 1 . 1 67 67 GLU C C 13 179.491 0.050 . 1 . . . . . 67 GLU C . 28095 1 270 . 1 . 1 67 67 GLU CA C 13 59.422 0.050 . 1 . . . . . 67 GLU CA . 28095 1 271 . 1 . 1 67 67 GLU CB C 13 28.349 0.050 . 1 . . . . . 67 GLU CB . 28095 1 272 . 1 . 1 67 67 GLU N N 15 117.938 0.050 . 1 . . . . . 67 GLU N . 28095 1 273 . 1 . 1 68 68 GLU H H 1 7.900 0.005 . 1 . . . . . 68 GLU HN . 28095 1 274 . 1 . 1 68 68 GLU C C 13 178.740 0.050 . 1 . . . . . 68 GLU C . 28095 1 275 . 1 . 1 68 68 GLU CA C 13 58.666 0.050 . 1 . . . . . 68 GLU CA . 28095 1 276 . 1 . 1 68 68 GLU CB C 13 29.376 0.050 . 1 . . . . . 68 GLU CB . 28095 1 277 . 1 . 1 68 68 GLU N N 15 122.551 0.050 . 1 . . . . . 68 GLU N . 28095 1 278 . 1 . 1 69 69 PHE H H 1 8.899 0.005 . 1 . . . . . 69 PHE HN . 28095 1 279 . 1 . 1 69 69 PHE C C 13 176.849 0.050 . 1 . . . . . 69 PHE C . 28095 1 280 . 1 . 1 69 69 PHE CA C 13 62.051 0.050 . 1 . . . . . 69 PHE CA . 28095 1 281 . 1 . 1 69 69 PHE CB C 13 38.780 0.050 . 1 . . . . . 69 PHE CB . 28095 1 282 . 1 . 1 69 69 PHE N N 15 121.637 0.050 . 1 . . . . . 69 PHE N . 28095 1 283 . 1 . 1 70 70 LYS H H 1 7.647 0.005 . 1 . . . . . 70 LYS HN . 28095 1 284 . 1 . 1 70 70 LYS C C 13 179.928 0.050 . 1 . . . . . 70 LYS C . 28095 1 285 . 1 . 1 70 70 LYS CA C 13 59.224 0.050 . 1 . . . . . 70 LYS CA . 28095 1 286 . 1 . 1 70 70 LYS CB C 13 31.662 0.050 . 1 . . . . . 70 LYS CB . 28095 1 287 . 1 . 1 70 70 LYS N N 15 116.466 0.050 . 1 . . . . . 70 LYS N . 28095 1 288 . 1 . 1 71 71 GLU H H 1 7.740 0.005 . 1 . . . . . 71 GLU HN . 28095 1 289 . 1 . 1 71 71 GLU C C 13 179.176 0.050 . 1 . . . . . 71 GLU C . 28095 1 290 . 1 . 1 71 71 GLU CA C 13 58.658 0.050 . 1 . . . . . 71 GLU CA . 28095 1 291 . 1 . 1 71 71 GLU CB C 13 28.284 0.050 . 1 . . . . . 71 GLU CB . 28095 1 292 . 1 . 1 71 71 GLU N N 15 121.020 0.050 . 1 . . . . . 71 GLU N . 28095 1 293 . 1 . 1 72 72 LEU H H 1 8.477 0.005 . 1 . . . . . 72 LEU HN . 28095 1 294 . 1 . 1 72 72 LEU C C 13 178.300 0.050 . 1 . . . . . 72 LEU C . 28095 1 295 . 1 . 1 72 72 LEU CA C 13 57.480 0.050 . 1 . . . . . 72 LEU CA . 28095 1 296 . 1 . 1 72 72 LEU CB C 13 41.560 0.050 . 1 . . . . . 72 LEU CB . 28095 1 297 . 1 . 1 72 72 LEU N N 15 121.889 0.050 . 1 . . . . . 72 LEU N . 28095 1 298 . 1 . 1 73 73 ALA H H 1 7.996 0.005 . 1 . . . . . 73 ALA HN . 28095 1 299 . 1 . 1 73 73 ALA C C 13 180.260 0.050 . 1 . . . . . 73 ALA C . 28095 1 300 . 1 . 1 73 73 ALA CA C 13 55.090 0.050 . 1 . . . . . 73 ALA CA . 28095 1 301 . 1 . 1 73 73 ALA CB C 13 16.239 0.050 . 1 . . . . . 73 ALA CB . 28095 1 302 . 1 . 1 73 73 ALA N N 15 121.109 0.050 . 1 . . . . . 73 ALA N . 28095 1 303 . 1 . 1 74 74 LYS H H 1 7.665 0.005 . 1 . . . . . 74 LYS HN . 28095 1 304 . 1 . 1 74 74 LYS C C 13 178.636 0.050 . 1 . . . . . 74 LYS C . 28095 1 305 . 1 . 1 74 74 LYS CA C 13 59.162 0.050 . 1 . . . . . 74 LYS CA . 28095 1 306 . 1 . 1 74 74 LYS CB C 13 31.169 0.050 . 1 . . . . . 74 LYS CB . 28095 1 307 . 1 . 1 74 74 LYS N N 15 120.115 0.050 . 1 . . . . . 74 LYS N . 28095 1 308 . 1 . 1 75 75 ARG H H 1 8.279 0.005 . 1 . . . . . 75 ARG HN . 28095 1 309 . 1 . 1 75 75 ARG C C 13 179.161 0.050 . 1 . . . . . 75 ARG C . 28095 1 310 . 1 . 1 75 75 ARG CA C 13 58.841 0.050 . 1 . . . . . 75 ARG CA . 28095 1 311 . 1 . 1 75 75 ARG CB C 13 28.904 0.050 . 1 . . . . . 75 ARG CB . 28095 1 312 . 1 . 1 75 75 ARG N N 15 121.227 0.050 . 1 . . . . . 75 ARG N . 28095 1 313 . 1 . 1 76 76 LYS H H 1 7.908 0.005 . 1 . . . . . 76 LYS HN . 28095 1 314 . 1 . 1 76 76 LYS C C 13 178.830 0.050 . 1 . . . . . 76 LYS C . 28095 1 315 . 1 . 1 76 76 LYS CA C 13 60.360 0.050 . 1 . . . . . 76 LYS CA . 28095 1 316 . 1 . 1 76 76 LYS CB C 13 28.790 0.050 . 1 . . . . . 76 LYS CB . 28095 1 317 . 1 . 1 76 76 LYS N N 15 119.503 0.050 . 1 . . . . . 76 LYS N . 28095 1 318 . 1 . 1 77 77 ASN H H 1 7.531 0.005 . 1 . . . . . 77 ASN HN . 28095 1 319 . 1 . 1 77 77 ASN C C 13 176.558 0.050 . 1 . . . . . 77 ASN C . 28095 1 320 . 1 . 1 77 77 ASN CA C 13 56.535 0.050 . 1 . . . . . 77 ASN CA . 28095 1 321 . 1 . 1 77 77 ASN CB C 13 37.882 0.050 . 1 . . . . . 77 ASN CB . 28095 1 322 . 1 . 1 77 77 ASN N N 15 118.892 0.050 . 1 . . . . . 77 ASN N . 28095 1 323 . 1 . 1 78 78 ASP H H 1 8.680 0.005 . 1 . . . . . 78 ASP HN . 28095 1 324 . 1 . 1 78 78 ASP C C 13 179.425 0.050 . 1 . . . . . 78 ASP C . 28095 1 325 . 1 . 1 78 78 ASP CA C 13 56.986 0.050 . 1 . . . . . 78 ASP CA . 28095 1 326 . 1 . 1 78 78 ASP CB C 13 39.127 0.050 . 1 . . . . . 78 ASP CB . 28095 1 327 . 1 . 1 78 78 ASP N N 15 121.036 0.050 . 1 . . . . . 78 ASP N . 28095 1 328 . 1 . 1 79 79 ASN H H 1 8.327 0.005 . 1 . . . . . 79 ASN HN . 28095 1 329 . 1 . 1 79 79 ASN C C 13 176.750 0.050 . 1 . . . . . 79 ASN C . 28095 1 330 . 1 . 1 79 79 ASN CA C 13 55.014 0.050 . 1 . . . . . 79 ASN CA . 28095 1 331 . 1 . 1 79 79 ASN CB C 13 37.175 0.050 . 1 . . . . . 79 ASN CB . 28095 1 332 . 1 . 1 79 79 ASN N N 15 119.495 0.050 . 1 . . . . . 79 ASN N . 28095 1 333 . 1 . 1 80 80 TYR H H 1 8.292 0.005 . 1 . . . . . 80 TYR HN . 28095 1 334 . 1 . 1 80 80 TYR C C 13 175.694 0.050 . 1 . . . . . 80 TYR C . 28095 1 335 . 1 . 1 80 80 TYR CA C 13 62.041 0.050 . 1 . . . . . 80 TYR CA . 28095 1 336 . 1 . 1 80 80 TYR CB C 13 37.889 0.050 . 1 . . . . . 80 TYR CB . 28095 1 337 . 1 . 1 80 80 TYR N N 15 122.587 0.050 . 1 . . . . . 80 TYR N . 28095 1 338 . 1 . 1 81 81 VAL H H 1 8.288 0.005 . 1 . . . . . 81 VAL HN . 28095 1 339 . 1 . 1 81 81 VAL C C 13 177.808 0.050 . 1 . . . . . 81 VAL C . 28095 1 340 . 1 . 1 81 81 VAL CA C 13 65.828 0.050 . 1 . . . . . 81 VAL CA . 28095 1 341 . 1 . 1 81 81 VAL CB C 13 30.557 0.050 . 1 . . . . . 81 VAL CB . 28095 1 342 . 1 . 1 81 81 VAL N N 15 118.069 0.050 . 1 . . . . . 81 VAL N . 28095 1 343 . 1 . 1 82 82 LYS H H 1 7.281 0.005 . 1 . . . . . 82 LYS HN . 28095 1 344 . 1 . 1 82 82 LYS C C 13 179.905 0.050 . 1 . . . . . 82 LYS C . 28095 1 345 . 1 . 1 82 82 LYS CA C 13 58.605 0.050 . 1 . . . . . 82 LYS CA . 28095 1 346 . 1 . 1 82 82 LYS CB C 13 31.222 0.050 . 1 . . . . . 82 LYS CB . 28095 1 347 . 1 . 1 82 82 LYS N N 15 118.869 0.050 . 1 . . . . . 82 LYS N . 28095 1 348 . 1 . 1 83 83 MET H H 1 8.145 0.005 . 1 . . . . . 83 MET HN . 28095 1 349 . 1 . 1 83 83 MET C C 13 179.352 0.050 . 1 . . . . . 83 MET C . 28095 1 350 . 1 . 1 83 83 MET CA C 13 58.156 0.050 . 1 . . . . . 83 MET CA . 28095 1 351 . 1 . 1 83 83 MET CB C 13 31.595 0.050 . 1 . . . . . 83 MET CB . 28095 1 352 . 1 . 1 83 83 MET N N 15 119.457 0.050 . 1 . . . . . 83 MET N . 28095 1 353 . 1 . 1 84 84 ILE H H 1 7.778 0.005 . 1 . . . . . 84 ILE HN . 28095 1 354 . 1 . 1 84 84 ILE C C 13 176.408 0.050 . 1 . . . . . 84 ILE C . 28095 1 355 . 1 . 1 84 84 ILE CA C 13 63.419 0.050 . 1 . . . . . 84 ILE CA . 28095 1 356 . 1 . 1 84 84 ILE CB C 13 35.653 0.050 . 1 . . . . . 84 ILE CB . 28095 1 357 . 1 . 1 84 84 ILE N N 15 111.188 0.050 . 1 . . . . . 84 ILE N . 28095 1 358 . 1 . 1 85 85 GLN H H 1 7.078 0.005 . 1 . . . . . 85 GLN HN . 28095 1 359 . 1 . 1 85 85 GLN C C 13 176.367 0.050 . 1 . . . . . 85 GLN C . 28095 1 360 . 1 . 1 85 85 GLN CA C 13 57.731 0.050 . 1 . . . . . 85 GLN CA . 28095 1 361 . 1 . 1 85 85 GLN CB C 13 27.406 0.050 . 1 . . . . . 85 GLN CB . 28095 1 362 . 1 . 1 85 85 GLN N N 15 118.864 0.050 . 1 . . . . . 85 GLN N . 28095 1 363 . 1 . 1 86 86 ASP H H 1 7.296 0.005 . 1 . . . . . 86 ASP HN . 28095 1 364 . 1 . 1 86 86 ASP C C 13 177.037 0.050 . 1 . . . . . 86 ASP C . 28095 1 365 . 1 . 1 86 86 ASP CA C 13 54.227 0.050 . 1 . . . . . 86 ASP CA . 28095 1 366 . 1 . 1 86 86 ASP CB C 13 40.847 0.050 . 1 . . . . . 86 ASP CB . 28095 1 367 . 1 . 1 86 86 ASP N N 15 114.401 0.050 . 1 . . . . . 86 ASP N . 28095 1 368 . 1 . 1 87 87 VAL H H 1 7.106 0.005 . 1 . . . . . 87 VAL HN . 28095 1 369 . 1 . 1 87 87 VAL C C 13 173.885 0.050 . 1 . . . . . 87 VAL C . 28095 1 370 . 1 . 1 87 87 VAL CA C 13 63.678 0.050 . 1 . . . . . 87 VAL CA . 28095 1 371 . 1 . 1 87 87 VAL CB C 13 30.012 0.050 . 1 . . . . . 87 VAL CB . 28095 1 372 . 1 . 1 87 87 VAL N N 15 124.420 0.050 . 1 . . . . . 87 VAL N . 28095 1 373 . 1 . 1 88 88 SER H H 1 9.183 0.005 . 1 . . . . . 88 SER HN . 28095 1 374 . 1 . 1 88 88 SER CA C 13 57.232 0.050 . 1 . . . . . 88 SER CA . 28095 1 375 . 1 . 1 88 88 SER CB C 13 65.409 0.050 . 1 . . . . . 88 SER CB . 28095 1 376 . 1 . 1 88 88 SER N N 15 125.256 0.050 . 1 . . . . . 88 SER N . 28095 1 377 . 1 . 1 89 89 PRO C C 13 177.777 0.050 . 1 . . . . . 89 PRO C . 28095 1 378 . 1 . 1 89 89 PRO CA C 13 64.951 0.050 . 1 . . . . . 89 PRO CA . 28095 1 379 . 1 . 1 89 89 PRO CB C 13 30.695 0.050 . 1 . . . . . 89 PRO CB . 28095 1 380 . 1 . 1 90 90 ALA H H 1 7.781 0.005 . 1 . . . . . 90 ALA HN . 28095 1 381 . 1 . 1 90 90 ALA C C 13 178.077 0.050 . 1 . . . . . 90 ALA C . 28095 1 382 . 1 . 1 90 90 ALA CA C 13 53.303 0.050 . 1 . . . . . 90 ALA CA . 28095 1 383 . 1 . 1 90 90 ALA CB C 13 17.561 0.050 . 1 . . . . . 90 ALA CB . 28095 1 384 . 1 . 1 90 90 ALA N N 15 119.811 0.050 . 1 . . . . . 90 ALA N . 28095 1 385 . 1 . 1 91 91 ASP H H 1 8.126 0.005 . 1 . . . . . 91 ASP HN . 28095 1 386 . 1 . 1 91 91 ASP C C 13 177.128 0.050 . 1 . . . . . 91 ASP C . 28095 1 387 . 1 . 1 91 91 ASP CA C 13 55.331 0.050 . 1 . . . . . 91 ASP CA . 28095 1 388 . 1 . 1 91 91 ASP CB C 13 40.952 0.050 . 1 . . . . . 91 ASP CB . 28095 1 389 . 1 . 1 91 91 ASP N N 15 115.576 0.050 . 1 . . . . . 91 ASP N . 28095 1 390 . 1 . 1 92 92 VAL H H 1 7.211 0.005 . 1 . . . . . 92 VAL HN . 28095 1 391 . 1 . 1 92 92 VAL C C 13 176.870 0.050 . 1 . . . . . 92 VAL C . 28095 1 392 . 1 . 1 92 92 VAL CA C 13 63.640 0.050 . 1 . . . . . 92 VAL CA . 28095 1 393 . 1 . 1 92 92 VAL CB C 13 31.024 0.050 . 1 . . . . . 92 VAL CB . 28095 1 394 . 1 . 1 92 92 VAL N N 15 123.541 0.050 . 1 . . . . . 92 VAL N . 28095 1 395 . 1 . 1 93 93 TYR H H 1 9.003 0.005 . 1 . . . . . 93 TYR HN . 28095 1 396 . 1 . 1 93 93 TYR C C 13 175.307 0.050 . 1 . . . . . 93 TYR C . 28095 1 397 . 1 . 1 93 93 TYR CA C 13 54.447 0.050 . 1 . . . . . 93 TYR CA . 28095 1 398 . 1 . 1 93 93 TYR CB C 13 34.645 0.050 . 1 . . . . . 93 TYR CB . 28095 1 399 . 1 . 1 93 93 TYR N N 15 130.892 0.050 . 1 . . . . . 93 TYR N . 28095 1 400 . 1 . 1 94 94 PRO C C 13 177.355 0.050 . 1 . . . . . 94 PRO C . 28095 1 401 . 1 . 1 94 94 PRO CA C 13 63.280 0.050 . 1 . . . . . 94 PRO CA . 28095 1 402 . 1 . 1 94 94 PRO CB C 13 31.325 0.050 . 1 . . . . . 94 PRO CB . 28095 1 403 . 1 . 1 95 95 GLY H H 1 8.476 0.005 . 1 . . . . . 95 GLY HN . 28095 1 404 . 1 . 1 95 95 GLY C C 13 175.956 0.050 . 1 . . . . . 95 GLY C . 28095 1 405 . 1 . 1 95 95 GLY CA C 13 45.827 0.050 . 1 . . . . . 95 GLY CA . 28095 1 406 . 1 . 1 95 95 GLY N N 15 111.397 0.050 . 1 . . . . . 95 GLY N . 28095 1 407 . 1 . 1 96 96 ILE H H 1 7.179 0.005 . 1 . . . . . 96 ILE HN . 28095 1 408 . 1 . 1 96 96 ILE C C 13 176.921 0.050 . 1 . . . . . 96 ILE C . 28095 1 409 . 1 . 1 96 96 ILE CA C 13 61.173 0.050 . 1 . . . . . 96 ILE CA . 28095 1 410 . 1 . 1 96 96 ILE CB C 13 33.752 0.050 . 1 . . . . . 96 ILE CB . 28095 1 411 . 1 . 1 96 96 ILE N N 15 121.479 0.050 . 1 . . . . . 96 ILE N . 28095 1 412 . 1 . 1 97 97 LEU H H 1 8.872 0.005 . 1 . . . . . 97 LEU HN . 28095 1 413 . 1 . 1 97 97 LEU C C 13 177.932 0.050 . 1 . . . . . 97 LEU C . 28095 1 414 . 1 . 1 97 97 LEU CA C 13 58.267 0.050 . 1 . . . . . 97 LEU CA . 28095 1 415 . 1 . 1 97 97 LEU CB C 13 40.229 0.050 . 1 . . . . . 97 LEU CB . 28095 1 416 . 1 . 1 97 97 LEU N N 15 121.195 0.050 . 1 . . . . . 97 LEU N . 28095 1 417 . 1 . 1 98 98 GLN H H 1 8.711 0.005 . 1 . . . . . 98 GLN HN . 28095 1 418 . 1 . 1 98 98 GLN C C 13 177.437 0.050 . 1 . . . . . 98 GLN C . 28095 1 419 . 1 . 1 98 98 GLN CA C 13 57.607 0.050 . 1 . . . . . 98 GLN CA . 28095 1 420 . 1 . 1 98 98 GLN CB C 13 27.463 0.050 . 1 . . . . . 98 GLN CB . 28095 1 421 . 1 . 1 98 98 GLN N N 15 117.654 0.050 . 1 . . . . . 98 GLN N . 28095 1 422 . 1 . 1 99 99 LEU H H 1 7.828 0.005 . 1 . . . . . 99 LEU HN . 28095 1 423 . 1 . 1 99 99 LEU C C 13 178.518 0.050 . 1 . . . . . 99 LEU C . 28095 1 424 . 1 . 1 99 99 LEU CA C 13 57.836 0.050 . 1 . . . . . 99 LEU CA . 28095 1 425 . 1 . 1 99 99 LEU CB C 13 39.831 0.050 . 1 . . . . . 99 LEU CB . 28095 1 426 . 1 . 1 99 99 LEU N N 15 119.564 0.050 . 1 . . . . . 99 LEU N . 28095 1 427 . 1 . 1 100 100 LEU H H 1 8.343 0.005 . 1 . . . . . 100 LEU HN . 28095 1 428 . 1 . 1 100 100 LEU C C 13 179.020 0.050 . 1 . . . . . 100 LEU C . 28095 1 429 . 1 . 1 100 100 LEU CA C 13 57.891 0.050 . 1 . . . . . 100 LEU CA . 28095 1 430 . 1 . 1 100 100 LEU CB C 13 39.401 0.050 . 1 . . . . . 100 LEU CB . 28095 1 431 . 1 . 1 100 100 LEU N N 15 119.078 0.050 . 1 . . . . . 100 LEU N . 28095 1 432 . 1 . 1 101 101 LYS H H 1 7.946 0.005 . 1 . . . . . 101 LYS HN . 28095 1 433 . 1 . 1 101 101 LYS C C 13 180.301 0.050 . 1 . . . . . 101 LYS C . 28095 1 434 . 1 . 1 101 101 LYS CA C 13 60.006 0.050 . 1 . . . . . 101 LYS CA . 28095 1 435 . 1 . 1 101 101 LYS CB C 13 31.930 0.050 . 1 . . . . . 101 LYS CB . 28095 1 436 . 1 . 1 101 101 LYS N N 15 117.730 0.050 . 1 . . . . . 101 LYS N . 28095 1 437 . 1 . 1 102 102 ASP H H 1 8.741 0.005 . 1 . . . . . 102 ASP HN . 28095 1 438 . 1 . 1 102 102 ASP C C 13 179.793 0.050 . 1 . . . . . 102 ASP C . 28095 1 439 . 1 . 1 102 102 ASP CA C 13 57.100 0.050 . 1 . . . . . 102 ASP CA . 28095 1 440 . 1 . 1 102 102 ASP CB C 13 39.496 0.050 . 1 . . . . . 102 ASP CB . 28095 1 441 . 1 . 1 102 102 ASP N N 15 122.513 0.050 . 1 . . . . . 102 ASP N . 28095 1 442 . 1 . 1 103 103 LEU H H 1 9.393 0.005 . 1 . . . . . 103 LEU HN . 28095 1 443 . 1 . 1 103 103 LEU C C 13 179.065 0.050 . 1 . . . . . 103 LEU C . 28095 1 444 . 1 . 1 103 103 LEU CA C 13 58.295 0.050 . 1 . . . . . 103 LEU CA . 28095 1 445 . 1 . 1 103 103 LEU CB C 13 39.947 0.050 . 1 . . . . . 103 LEU CB . 28095 1 446 . 1 . 1 103 103 LEU N N 15 123.648 0.050 . 1 . . . . . 103 LEU N . 28095 1 447 . 1 . 1 104 104 ARG H H 1 8.373 0.005 . 1 . . . . . 104 ARG HN . 28095 1 448 . 1 . 1 104 104 ARG C C 13 181.875 0.050 . 1 . . . . . 104 ARG C . 28095 1 449 . 1 . 1 104 104 ARG CA C 13 59.105 0.050 . 1 . . . . . 104 ARG CA . 28095 1 450 . 1 . 1 104 104 ARG CB C 13 28.454 0.050 . 1 . . . . . 104 ARG CB . 28095 1 451 . 1 . 1 104 104 ARG N N 15 120.140 0.050 . 1 . . . . . 104 ARG N . 28095 1 452 . 1 . 1 105 105 SER H H 1 8.712 0.005 . 1 . . . . . 105 SER HN . 28095 1 453 . 1 . 1 105 105 SER C C 13 175.178 0.050 . 1 . . . . . 105 SER C . 28095 1 454 . 1 . 1 105 105 SER CA C 13 61.194 0.050 . 1 . . . . . 105 SER CA . 28095 1 455 . 1 . 1 105 105 SER CB C 13 62.273 0.050 . 1 . . . . . 105 SER CB . 28095 1 456 . 1 . 1 105 105 SER N N 15 117.198 0.050 . 1 . . . . . 105 SER N . 28095 1 457 . 1 . 1 106 106 ASN H H 1 7.450 0.005 . 1 . . . . . 106 ASN HN . 28095 1 458 . 1 . 1 106 106 ASN C C 13 172.417 0.050 . 1 . . . . . 106 ASN C . 28095 1 459 . 1 . 1 106 106 ASN CA C 13 53.628 0.050 . 1 . . . . . 106 ASN CA . 28095 1 460 . 1 . 1 106 106 ASN CB C 13 39.438 0.050 . 1 . . . . . 106 ASN CB . 28095 1 461 . 1 . 1 106 106 ASN N N 15 118.213 0.050 . 1 . . . . . 106 ASN N . 28095 1 462 . 1 . 1 107 107 LYS H H 1 7.930 0.005 . 1 . . . . . 107 LYS HN . 28095 1 463 . 1 . 1 107 107 LYS C C 13 175.115 0.050 . 1 . . . . . 107 LYS C . 28095 1 464 . 1 . 1 107 107 LYS CA C 13 56.879 0.050 . 1 . . . . . 107 LYS CA . 28095 1 465 . 1 . 1 107 107 LYS CB C 13 27.334 0.050 . 1 . . . . . 107 LYS CB . 28095 1 466 . 1 . 1 107 107 LYS N N 15 114.763 0.050 . 1 . . . . . 107 LYS N . 28095 1 467 . 1 . 1 108 108 ILE H H 1 7.981 0.005 . 1 . . . . . 108 ILE HN . 28095 1 468 . 1 . 1 108 108 ILE C C 13 175.778 0.050 . 1 . . . . . 108 ILE C . 28095 1 469 . 1 . 1 108 108 ILE CA C 13 60.017 0.050 . 1 . . . . . 108 ILE CA . 28095 1 470 . 1 . 1 108 108 ILE CB C 13 36.939 0.050 . 1 . . . . . 108 ILE CB . 28095 1 471 . 1 . 1 108 108 ILE N N 15 122.370 0.050 . 1 . . . . . 108 ILE N . 28095 1 472 . 1 . 1 109 109 LYS H H 1 7.735 0.005 . 1 . . . . . 109 LYS HN . 28095 1 473 . 1 . 1 109 109 LYS C C 13 175.858 0.050 . 1 . . . . . 109 LYS C . 28095 1 474 . 1 . 1 109 109 LYS CA C 13 55.020 0.050 . 1 . . . . . 109 LYS CA . 28095 1 475 . 1 . 1 109 109 LYS CB C 13 32.575 0.050 . 1 . . . . . 109 LYS CB . 28095 1 476 . 1 . 1 109 109 LYS N N 15 125.138 0.050 . 1 . . . . . 109 LYS N . 28095 1 477 . 1 . 1 110 110 ILE H H 1 9.318 0.005 . 1 . . . . . 110 ILE HN . 28095 1 478 . 1 . 1 110 110 ILE C C 13 175.841 0.050 . 1 . . . . . 110 ILE C . 28095 1 479 . 1 . 1 110 110 ILE CA C 13 61.078 0.050 . 1 . . . . . 110 ILE CA . 28095 1 480 . 1 . 1 110 110 ILE CB C 13 40.022 0.050 . 1 . . . . . 110 ILE CB . 28095 1 481 . 1 . 1 110 110 ILE N N 15 122.237 0.050 . 1 . . . . . 110 ILE N . 28095 1 482 . 1 . 1 111 111 ALA H H 1 8.801 0.005 . 1 . . . . . 111 ALA HN . 28095 1 483 . 1 . 1 111 111 ALA C C 13 176.305 0.050 . 1 . . . . . 111 ALA C . 28095 1 484 . 1 . 1 111 111 ALA CA C 13 49.027 0.050 . 1 . . . . . 111 ALA CA . 28095 1 485 . 1 . 1 111 111 ALA CB C 13 23.593 0.050 . 1 . . . . . 111 ALA CB . 28095 1 486 . 1 . 1 111 111 ALA N N 15 127.732 0.050 . 1 . . . . . 111 ALA N . 28095 1 487 . 1 . 1 112 112 LEU H H 1 8.477 0.005 . 1 . . . . . 112 LEU HN . 28095 1 488 . 1 . 1 112 112 LEU C C 13 174.173 0.050 . 1 . . . . . 112 LEU C . 28095 1 489 . 1 . 1 112 112 LEU CA C 13 53.868 0.050 . 1 . . . . . 112 LEU CA . 28095 1 490 . 1 . 1 112 112 LEU CB C 13 42.589 0.050 . 1 . . . . . 112 LEU CB . 28095 1 491 . 1 . 1 112 112 LEU N N 15 123.208 0.050 . 1 . . . . . 112 LEU N . 28095 1 492 . 1 . 1 113 113 ALA H H 1 9.306 0.005 . 1 . . . . . 113 ALA HN . 28095 1 493 . 1 . 1 113 113 ALA C C 13 173.606 0.050 . 1 . . . . . 113 ALA C . 28095 1 494 . 1 . 1 113 113 ALA CA C 13 49.171 0.050 . 1 . . . . . 113 ALA CA . 28095 1 495 . 1 . 1 113 113 ALA CB C 13 18.451 0.050 . 1 . . . . . 113 ALA CB . 28095 1 496 . 1 . 1 113 113 ALA N N 15 134.373 0.050 . 1 . . . . . 113 ALA N . 28095 1 497 . 1 . 1 114 114 SER H H 1 7.312 0.005 . 1 . . . . . 114 SER HN . 28095 1 498 . 1 . 1 114 114 SER C C 13 174.428 0.050 . 1 . . . . . 114 SER C . 28095 1 499 . 1 . 1 114 114 SER CA C 13 55.961 0.050 . 1 . . . . . 114 SER CA . 28095 1 500 . 1 . 1 114 114 SER CB C 13 64.309 0.050 . 1 . . . . . 114 SER CB . 28095 1 501 . 1 . 1 114 114 SER N N 15 111.887 0.050 . 1 . . . . . 114 SER N . 28095 1 502 . 1 . 1 115 115 ALA H H 1 8.946 0.005 . 1 . . . . . 115 ALA HN . 28095 1 503 . 1 . 1 115 115 ALA C C 13 176.645 0.050 . 1 . . . . . 115 ALA C . 28095 1 504 . 1 . 1 115 115 ALA CA C 13 51.544 0.050 . 1 . . . . . 115 ALA CA . 28095 1 505 . 1 . 1 115 115 ALA CB C 13 18.398 0.050 . 1 . . . . . 115 ALA CB . 28095 1 506 . 1 . 1 115 115 ALA N N 15 129.265 0.050 . 1 . . . . . 115 ALA N . 28095 1 507 . 1 . 1 116 116 SER H H 1 8.230 0.005 . 1 . . . . . 116 SER HN . 28095 1 508 . 1 . 1 116 116 SER CA C 13 57.463 0.050 . 1 . . . . . 116 SER CA . 28095 1 509 . 1 . 1 116 116 SER N N 15 113.152 0.050 . 1 . . . . . 116 SER N . 28095 1 510 . 1 . 1 118 118 ASN C C 13 174.767 0.050 . 1 . . . . . 118 ASN C . 28095 1 511 . 1 . 1 118 118 ASN CA C 13 53.002 0.050 . 1 . . . . . 118 ASN CA . 28095 1 512 . 1 . 1 118 118 ASN CB C 13 38.638 0.050 . 1 . . . . . 118 ASN CB . 28095 1 513 . 1 . 1 119 119 GLY H H 1 7.477 0.005 . 1 . . . . . 119 GLY HN . 28095 1 514 . 1 . 1 119 119 GLY C C 13 172.131 0.050 . 1 . . . . . 119 GLY C . 28095 1 515 . 1 . 1 119 119 GLY CA C 13 48.198 0.050 . 1 . . . . . 119 GLY CA . 28095 1 516 . 1 . 1 119 119 GLY N N 15 106.243 0.050 . 1 . . . . . 119 GLY N . 28095 1 517 . 1 . 1 120 120 PRO C C 13 179.208 0.050 . 1 . . . . . 120 PRO C . 28095 1 518 . 1 . 1 120 120 PRO CA C 13 65.627 0.050 . 1 . . . . . 120 PRO CA . 28095 1 519 . 1 . 1 120 120 PRO CB C 13 30.420 0.050 . 1 . . . . . 120 PRO CB . 28095 1 520 . 1 . 1 121 121 PHE H H 1 7.690 0.005 . 1 . . . . . 121 PHE HN . 28095 1 521 . 1 . 1 121 121 PHE C C 13 177.341 0.050 . 1 . . . . . 121 PHE C . 28095 1 522 . 1 . 1 121 121 PHE CA C 13 60.411 0.050 . 1 . . . . . 121 PHE CA . 28095 1 523 . 1 . 1 121 121 PHE CB C 13 38.602 0.050 . 1 . . . . . 121 PHE CB . 28095 1 524 . 1 . 1 121 121 PHE N N 15 119.552 0.050 . 1 . . . . . 121 PHE N . 28095 1 525 . 1 . 1 122 122 LEU H H 1 8.214 0.005 . 1 . . . . . 122 LEU HN . 28095 1 526 . 1 . 1 122 122 LEU C C 13 178.757 0.050 . 1 . . . . . 122 LEU C . 28095 1 527 . 1 . 1 122 122 LEU CA C 13 57.739 0.050 . 1 . . . . . 122 LEU CA . 28095 1 528 . 1 . 1 122 122 LEU CB C 13 40.448 0.050 . 1 . . . . . 122 LEU CB . 28095 1 529 . 1 . 1 122 122 LEU N N 15 119.892 0.050 . 1 . . . . . 122 LEU N . 28095 1 530 . 1 . 1 123 123 LEU H H 1 8.241 0.005 . 1 . . . . . 123 LEU HN . 28095 1 531 . 1 . 1 123 123 LEU C C 13 178.947 0.050 . 1 . . . . . 123 LEU C . 28095 1 532 . 1 . 1 123 123 LEU CA C 13 58.145 0.050 . 1 . . . . . 123 LEU CA . 28095 1 533 . 1 . 1 123 123 LEU CB C 13 40.094 0.050 . 1 . . . . . 123 LEU CB . 28095 1 534 . 1 . 1 123 123 LEU N N 15 117.135 0.050 . 1 . . . . . 123 LEU N . 28095 1 535 . 1 . 1 124 124 GLU H H 1 7.630 0.005 . 1 . . . . . 124 GLU HN . 28095 1 536 . 1 . 1 124 124 GLU C C 13 180.865 0.050 . 1 . . . . . 124 GLU C . 28095 1 537 . 1 . 1 124 124 GLU CA C 13 58.739 0.050 . 1 . . . . . 124 GLU CA . 28095 1 538 . 1 . 1 124 124 GLU CB C 13 27.901 0.050 . 1 . . . . . 124 GLU CB . 28095 1 539 . 1 . 1 124 124 GLU N N 15 121.134 0.050 . 1 . . . . . 124 GLU N . 28095 1 540 . 1 . 1 125 125 ARG H H 1 8.088 0.005 . 1 . . . . . 125 ARG HN . 28095 1 541 . 1 . 1 125 125 ARG C C 13 178.425 0.050 . 1 . . . . . 125 ARG C . 28095 1 542 . 1 . 1 125 125 ARG CA C 13 56.725 0.050 . 1 . . . . . 125 ARG CA . 28095 1 543 . 1 . 1 125 125 ARG CB C 13 28.194 0.050 . 1 . . . . . 125 ARG CB . 28095 1 544 . 1 . 1 125 125 ARG N N 15 120.894 0.050 . 1 . . . . . 125 ARG N . 28095 1 545 . 1 . 1 126 126 MET H H 1 7.322 0.005 . 1 . . . . . 126 MET HN . 28095 1 546 . 1 . 1 126 126 MET C C 13 173.638 0.050 . 1 . . . . . 126 MET C . 28095 1 547 . 1 . 1 126 126 MET CA C 13 55.989 0.050 . 1 . . . . . 126 MET CA . 28095 1 548 . 1 . 1 126 126 MET CB C 13 32.513 0.050 . 1 . . . . . 126 MET CB . 28095 1 549 . 1 . 1 126 126 MET N N 15 113.323 0.050 . 1 . . . . . 126 MET N . 28095 1 550 . 1 . 1 127 127 ASN H H 1 8.012 0.005 . 1 . . . . . 127 ASN HN . 28095 1 551 . 1 . 1 127 127 ASN C C 13 175.849 0.050 . 1 . . . . . 127 ASN C . 28095 1 552 . 1 . 1 127 127 ASN CA C 13 53.441 0.050 . 1 . . . . . 127 ASN CA . 28095 1 553 . 1 . 1 127 127 ASN CB C 13 36.480 0.050 . 1 . . . . . 127 ASN CB . 28095 1 554 . 1 . 1 127 127 ASN N N 15 116.870 0.050 . 1 . . . . . 127 ASN N . 28095 1 555 . 1 . 1 128 128 LEU H H 1 8.749 0.005 . 1 . . . . . 128 LEU HN . 28095 1 556 . 1 . 1 128 128 LEU C C 13 177.868 0.050 . 1 . . . . . 128 LEU C . 28095 1 557 . 1 . 1 128 128 LEU CA C 13 53.645 0.050 . 1 . . . . . 128 LEU CA . 28095 1 558 . 1 . 1 128 128 LEU CB C 13 44.084 0.050 . 1 . . . . . 128 LEU CB . 28095 1 559 . 1 . 1 128 128 LEU N N 15 113.988 0.050 . 1 . . . . . 128 LEU N . 28095 1 560 . 1 . 1 129 129 THR H H 1 7.398 0.005 . 1 . . . . . 129 THR HN . 28095 1 561 . 1 . 1 129 129 THR C C 13 176.310 0.050 . 1 . . . . . 129 THR C . 28095 1 562 . 1 . 1 129 129 THR CA C 13 67.154 0.050 . 1 . . . . . 129 THR CA . 28095 1 563 . 1 . 1 129 129 THR CB C 13 68.555 0.050 . 1 . . . . . 129 THR CB . 28095 1 564 . 1 . 1 129 129 THR N N 15 115.880 0.050 . 1 . . . . . 129 THR N . 28095 1 565 . 1 . 1 130 130 GLY H H 1 8.595 0.005 . 1 . . . . . 130 GLY HN . 28095 1 566 . 1 . 1 130 130 GLY C C 13 174.848 0.050 . 1 . . . . . 130 GLY C . 28095 1 567 . 1 . 1 130 130 GLY CA C 13 45.626 0.050 . 1 . . . . . 130 GLY CA . 28095 1 568 . 1 . 1 130 130 GLY N N 15 106.106 0.050 . 1 . . . . . 130 GLY N . 28095 1 569 . 1 . 1 131 131 TYR H H 1 7.756 0.005 . 1 . . . . . 131 TYR HN . 28095 1 570 . 1 . 1 131 131 TYR C C 13 174.541 0.050 . 1 . . . . . 131 TYR C . 28095 1 571 . 1 . 1 131 131 TYR CA C 13 59.480 0.050 . 1 . . . . . 131 TYR CA . 28095 1 572 . 1 . 1 131 131 TYR CB C 13 38.870 0.050 . 1 . . . . . 131 TYR CB . 28095 1 573 . 1 . 1 131 131 TYR N N 15 116.007 0.050 . 1 . . . . . 131 TYR N . 28095 1 574 . 1 . 1 132 132 PHE H H 1 7.282 0.005 . 1 . . . . . 132 PHE HN . 28095 1 575 . 1 . 1 132 132 PHE C C 13 175.802 0.050 . 1 . . . . . 132 PHE C . 28095 1 576 . 1 . 1 132 132 PHE CA C 13 58.259 0.050 . 1 . . . . . 132 PHE CA . 28095 1 577 . 1 . 1 132 132 PHE CB C 13 39.054 0.050 . 1 . . . . . 132 PHE CB . 28095 1 578 . 1 . 1 132 132 PHE N N 15 115.203 0.050 . 1 . . . . . 132 PHE N . 28095 1 579 . 1 . 1 133 133 ASP H H 1 9.137 0.005 . 1 . . . . . 133 ASP HN . 28095 1 580 . 1 . 1 133 133 ASP C C 13 176.431 0.050 . 1 . . . . . 133 ASP C . 28095 1 581 . 1 . 1 133 133 ASP CA C 13 56.761 0.050 . 1 . . . . . 133 ASP CA . 28095 1 582 . 1 . 1 133 133 ASP CB C 13 42.291 0.050 . 1 . . . . . 133 ASP CB . 28095 1 583 . 1 . 1 133 133 ASP N N 15 124.909 0.050 . 1 . . . . . 133 ASP N . 28095 1 584 . 1 . 1 134 134 ALA H H 1 7.688 0.005 . 1 . . . . . 134 ALA HN . 28095 1 585 . 1 . 1 134 134 ALA C C 13 175.228 0.050 . 1 . . . . . 134 ALA C . 28095 1 586 . 1 . 1 134 134 ALA CA C 13 51.651 0.050 . 1 . . . . . 134 ALA CA . 28095 1 587 . 1 . 1 134 134 ALA CB C 13 23.410 0.050 . 1 . . . . . 134 ALA CB . 28095 1 588 . 1 . 1 134 134 ALA N N 15 115.338 0.050 . 1 . . . . . 134 ALA N . 28095 1 589 . 1 . 1 135 135 ILE H H 1 8.567 0.005 . 1 . . . . . 135 ILE HN . 28095 1 590 . 1 . 1 135 135 ILE C C 13 175.444 0.050 . 1 . . . . . 135 ILE C . 28095 1 591 . 1 . 1 135 135 ILE CA C 13 60.154 0.050 . 1 . . . . . 135 ILE CA . 28095 1 592 . 1 . 1 135 135 ILE CB C 13 39.659 0.050 . 1 . . . . . 135 ILE CB . 28095 1 593 . 1 . 1 135 135 ILE N N 15 121.169 0.050 . 1 . . . . . 135 ILE N . 28095 1 594 . 1 . 1 136 136 ALA H H 1 8.247 0.005 . 1 . . . . . 136 ALA HN . 28095 1 595 . 1 . 1 136 136 ALA C C 13 175.716 0.050 . 1 . . . . . 136 ALA C . 28095 1 596 . 1 . 1 136 136 ALA CA C 13 52.258 0.050 . 1 . . . . . 136 ALA CA . 28095 1 597 . 1 . 1 136 136 ALA CB C 13 17.866 0.050 . 1 . . . . . 136 ALA CB . 28095 1 598 . 1 . 1 136 136 ALA N N 15 128.888 0.050 . 1 . . . . . 136 ALA N . 28095 1 599 . 1 . 1 137 137 ASP H H 1 8.497 0.005 . 1 . . . . . 137 ASP HN . 28095 1 600 . 1 . 1 137 137 ASP C C 13 176.252 0.050 . 1 . . . . . 137 ASP C . 28095 1 601 . 1 . 1 137 137 ASP CA C 13 50.712 0.050 . 1 . . . . . 137 ASP CA . 28095 1 602 . 1 . 1 137 137 ASP CB C 13 41.096 0.050 . 1 . . . . . 137 ASP CB . 28095 1 603 . 1 . 1 137 137 ASP N N 15 123.672 0.050 . 1 . . . . . 137 ASP N . 28095 1 604 . 1 . 1 138 138 PRO C C 13 178.088 0.050 . 1 . . . . . 138 PRO C . 28095 1 605 . 1 . 1 138 138 PRO CA C 13 63.814 0.050 . 1 . . . . . 138 PRO CA . 28095 1 606 . 1 . 1 138 138 PRO CB C 13 31.226 0.050 . 1 . . . . . 138 PRO CB . 28095 1 607 . 1 . 1 139 139 ALA H H 1 8.479 0.005 . 1 . . . . . 139 ALA HN . 28095 1 608 . 1 . 1 139 139 ALA C C 13 179.046 0.050 . 1 . . . . . 139 ALA C . 28095 1 609 . 1 . 1 139 139 ALA CA C 13 53.205 0.050 . 1 . . . . . 139 ALA CA . 28095 1 610 . 1 . 1 139 139 ALA CB C 13 17.873 0.050 . 1 . . . . . 139 ALA CB . 28095 1 611 . 1 . 1 139 139 ALA N N 15 120.862 0.050 . 1 . . . . . 139 ALA N . 28095 1 612 . 1 . 1 140 140 GLU H H 1 7.661 0.005 . 1 . . . . . 140 GLU HN . 28095 1 613 . 1 . 1 140 140 GLU C C 13 176.142 0.050 . 1 . . . . . 140 GLU C . 28095 1 614 . 1 . 1 140 140 GLU CA C 13 55.297 0.050 . 1 . . . . . 140 GLU CA . 28095 1 615 . 1 . 1 140 140 GLU CB C 13 29.450 0.050 . 1 . . . . . 140 GLU CB . 28095 1 616 . 1 . 1 140 140 GLU N N 15 116.078 0.050 . 1 . . . . . 140 GLU N . 28095 1 617 . 1 . 1 141 141 VAL H H 1 7.208 0.005 . 1 . . . . . 141 VAL HN . 28095 1 618 . 1 . 1 141 141 VAL C C 13 175.381 0.050 . 1 . . . . . 141 VAL C . 28095 1 619 . 1 . 1 141 141 VAL CA C 13 60.927 0.050 . 1 . . . . . 141 VAL CA . 28095 1 620 . 1 . 1 141 141 VAL CB C 13 31.398 0.050 . 1 . . . . . 141 VAL CB . 28095 1 621 . 1 . 1 141 141 VAL N N 15 118.184 0.050 . 1 . . . . . 141 VAL N . 28095 1 622 . 1 . 1 142 142 ALA H H 1 8.576 0.005 . 1 . . . . . 142 ALA HN . 28095 1 623 . 1 . 1 142 142 ALA C C 13 177.516 0.050 . 1 . . . . . 142 ALA C . 28095 1 624 . 1 . 1 142 142 ALA CA C 13 52.956 0.050 . 1 . . . . . 142 ALA CA . 28095 1 625 . 1 . 1 142 142 ALA CB C 13 18.514 0.050 . 1 . . . . . 142 ALA CB . 28095 1 626 . 1 . 1 142 142 ALA N N 15 127.927 0.050 . 1 . . . . . 142 ALA N . 28095 1 627 . 1 . 1 143 143 ALA H H 1 7.517 0.005 . 1 . . . . . 143 ALA HN . 28095 1 628 . 1 . 1 143 143 ALA C C 13 176.556 0.050 . 1 . . . . . 143 ALA C . 28095 1 629 . 1 . 1 143 143 ALA CA C 13 50.910 0.050 . 1 . . . . . 143 ALA CA . 28095 1 630 . 1 . 1 143 143 ALA CB C 13 20.582 0.050 . 1 . . . . . 143 ALA CB . 28095 1 631 . 1 . 1 143 143 ALA N N 15 120.674 0.050 . 1 . . . . . 143 ALA N . 28095 1 632 . 1 . 1 144 144 SER H H 1 8.406 0.005 . 1 . . . . . 144 SER HN . 28095 1 633 . 1 . 1 144 144 SER C C 13 175.236 0.050 . 1 . . . . . 144 SER C . 28095 1 634 . 1 . 1 144 144 SER CA C 13 57.026 0.050 . 1 . . . . . 144 SER CA . 28095 1 635 . 1 . 1 144 144 SER CB C 13 63.840 0.050 . 1 . . . . . 144 SER CB . 28095 1 636 . 1 . 1 144 144 SER N N 15 117.052 0.050 . 1 . . . . . 144 SER N . 28095 1 637 . 1 . 1 145 145 LYS H H 1 8.583 0.005 . 1 . . . . . 145 LYS HN . 28095 1 638 . 1 . 1 145 145 LYS CA C 13 56.540 0.050 . 1 . . . . . 145 LYS CA . 28095 1 639 . 1 . 1 145 145 LYS CB C 13 28.435 0.050 . 1 . . . . . 145 LYS CB . 28095 1 640 . 1 . 1 145 145 LYS N N 15 124.861 0.050 . 1 . . . . . 145 LYS N . 28095 1 641 . 1 . 1 146 146 PRO C C 13 175.837 0.050 . 1 . . . . . 146 PRO C . 28095 1 642 . 1 . 1 146 146 PRO CA C 13 63.074 0.050 . 1 . . . . . 146 PRO CA . 28095 1 643 . 1 . 1 146 146 PRO CB C 13 34.740 0.050 . 1 . . . . . 146 PRO CB . 28095 1 644 . 1 . 1 147 147 ALA H H 1 8.939 0.005 . 1 . . . . . 147 ALA HN . 28095 1 645 . 1 . 1 147 147 ALA C C 13 178.075 0.050 . 1 . . . . . 147 ALA C . 28095 1 646 . 1 . 1 147 147 ALA CA C 13 51.576 0.050 . 1 . . . . . 147 ALA CA . 28095 1 647 . 1 . 1 147 147 ALA CB C 13 16.856 0.050 . 1 . . . . . 147 ALA CB . 28095 1 648 . 1 . 1 147 147 ALA N N 15 131.421 0.050 . 1 . . . . . 147 ALA N . 28095 1 649 . 1 . 1 148 148 PRO C C 13 177.227 0.050 . 1 . . . . . 148 PRO C . 28095 1 650 . 1 . 1 148 148 PRO CA C 13 63.587 0.050 . 1 . . . . . 148 PRO CA . 28095 1 651 . 1 . 1 148 148 PRO CB C 13 31.938 0.050 . 1 . . . . . 148 PRO CB . 28095 1 652 . 1 . 1 149 149 ASP H H 1 9.212 0.005 . 1 . . . . . 149 ASP HN . 28095 1 653 . 1 . 1 149 149 ASP C C 13 177.889 0.050 . 1 . . . . . 149 ASP C . 28095 1 654 . 1 . 1 149 149 ASP CA C 13 57.884 0.050 . 1 . . . . . 149 ASP CA . 28095 1 655 . 1 . 1 149 149 ASP CB C 13 39.452 0.050 . 1 . . . . . 149 ASP CB . 28095 1 656 . 1 . 1 149 149 ASP N N 15 120.548 0.050 . 1 . . . . . 149 ASP N . 28095 1 657 . 1 . 1 150 150 ILE H H 1 9.631 0.005 . 1 . . . . . 150 ILE HN . 28095 1 658 . 1 . 1 150 150 ILE C C 13 175.762 0.050 . 1 . . . . . 150 ILE C . 28095 1 659 . 1 . 1 150 150 ILE CA C 13 62.528 0.050 . 1 . . . . . 150 ILE CA . 28095 1 660 . 1 . 1 150 150 ILE CB C 13 37.017 0.050 . 1 . . . . . 150 ILE CB . 28095 1 661 . 1 . 1 150 150 ILE N N 15 119.757 0.050 . 1 . . . . . 150 ILE N . 28095 1 662 . 1 . 1 151 151 PHE H H 1 7.314 0.005 . 1 . . . . . 151 PHE HN . 28095 1 663 . 1 . 1 151 151 PHE C C 13 177.743 0.050 . 1 . . . . . 151 PHE C . 28095 1 664 . 1 . 1 151 151 PHE CA C 13 63.158 0.050 . 1 . . . . . 151 PHE CA . 28095 1 665 . 1 . 1 151 151 PHE CB C 13 38.114 0.050 . 1 . . . . . 151 PHE CB . 28095 1 666 . 1 . 1 151 151 PHE N N 15 121.030 0.050 . 1 . . . . . 151 PHE N . 28095 1 667 . 1 . 1 152 152 ILE H H 1 7.819 0.005 . 1 . . . . . 152 ILE HN . 28095 1 668 . 1 . 1 152 152 ILE C C 13 177.997 0.050 . 1 . . . . . 152 ILE C . 28095 1 669 . 1 . 1 152 152 ILE CA C 13 65.719 0.050 . 1 . . . . . 152 ILE CA . 28095 1 670 . 1 . 1 152 152 ILE CB C 13 37.217 0.050 . 1 . . . . . 152 ILE CB . 28095 1 671 . 1 . 1 152 152 ILE N N 15 120.906 0.050 . 1 . . . . . 152 ILE N . 28095 1 672 . 1 . 1 153 153 ALA H H 1 8.473 0.005 . 1 . . . . . 153 ALA HN . 28095 1 673 . 1 . 1 153 153 ALA C C 13 181.038 0.050 . 1 . . . . . 153 ALA C . 28095 1 674 . 1 . 1 153 153 ALA CA C 13 54.253 0.050 . 1 . . . . . 153 ALA CA . 28095 1 675 . 1 . 1 153 153 ALA CB C 13 17.483 0.050 . 1 . . . . . 153 ALA CB . 28095 1 676 . 1 . 1 153 153 ALA N N 15 120.320 0.050 . 1 . . . . . 153 ALA N . 28095 1 677 . 1 . 1 154 154 ALA H H 1 7.817 0.005 . 1 . . . . . 154 ALA HN . 28095 1 678 . 1 . 1 154 154 ALA C C 13 176.697 0.050 . 1 . . . . . 154 ALA C . 28095 1 679 . 1 . 1 154 154 ALA CA C 13 55.001 0.050 . 1 . . . . . 154 ALA CA . 28095 1 680 . 1 . 1 154 154 ALA CB C 13 17.860 0.050 . 1 . . . . . 154 ALA CB . 28095 1 681 . 1 . 1 154 154 ALA N N 15 122.364 0.050 . 1 . . . . . 154 ALA N . 28095 1 682 . 1 . 1 155 155 ALA H H 1 7.684 0.005 . 1 . . . . . 155 ALA HN . 28095 1 683 . 1 . 1 155 155 ALA C C 13 179.691 0.050 . 1 . . . . . 155 ALA C . 28095 1 684 . 1 . 1 155 155 ALA CA C 13 54.349 0.050 . 1 . . . . . 155 ALA CA . 28095 1 685 . 1 . 1 155 155 ALA CB C 13 16.050 0.050 . 1 . . . . . 155 ALA CB . 28095 1 686 . 1 . 1 155 155 ALA N N 15 118.887 0.050 . 1 . . . . . 155 ALA N . 28095 1 687 . 1 . 1 156 156 HIS H H 1 8.442 0.005 . 1 . . . . . 156 HIS HN . 28095 1 688 . 1 . 1 156 156 HIS C C 13 179.428 0.050 . 1 . . . . . 156 HIS C . 28095 1 689 . 1 . 1 156 156 HIS CA C 13 58.045 0.050 . 1 . . . . . 156 HIS CA . 28095 1 690 . 1 . 1 156 156 HIS CB C 13 28.767 0.050 . 1 . . . . . 156 HIS CB . 28095 1 691 . 1 . 1 156 156 HIS N N 15 116.675 0.050 . 1 . . . . . 156 HIS N . 28095 1 692 . 1 . 1 157 157 ALA H H 1 8.206 0.005 . 1 . . . . . 157 ALA HN . 28095 1 693 . 1 . 1 157 157 ALA C C 13 179.137 0.050 . 1 . . . . . 157 ALA C . 28095 1 694 . 1 . 1 157 157 ALA CA C 13 54.106 0.050 . 1 . . . . . 157 ALA CA . 28095 1 695 . 1 . 1 157 157 ALA CB C 13 17.466 0.050 . 1 . . . . . 157 ALA CB . 28095 1 696 . 1 . 1 157 157 ALA N N 15 121.768 0.050 . 1 . . . . . 157 ALA N . 28095 1 697 . 1 . 1 158 158 VAL H H 1 7.231 0.005 . 1 . . . . . 158 VAL HN . 28095 1 698 . 1 . 1 158 158 VAL C C 13 175.541 0.050 . 1 . . . . . 158 VAL C . 28095 1 699 . 1 . 1 158 158 VAL CA C 13 59.549 0.050 . 1 . . . . . 158 VAL CA . 28095 1 700 . 1 . 1 158 158 VAL CB C 13 30.697 0.050 . 1 . . . . . 158 VAL CB . 28095 1 701 . 1 . 1 158 158 VAL N N 15 107.524 0.050 . 1 . . . . . 158 VAL N . 28095 1 702 . 1 . 1 159 159 GLY H H 1 7.806 0.005 . 1 . . . . . 159 GLY HN . 28095 1 703 . 1 . 1 159 159 GLY C C 13 174.618 0.050 . 1 . . . . . 159 GLY C . 28095 1 704 . 1 . 1 159 159 GLY CA C 13 46.140 0.050 . 1 . . . . . 159 GLY CA . 28095 1 705 . 1 . 1 159 159 GLY N N 15 110.466 0.050 . 1 . . . . . 159 GLY N . 28095 1 706 . 1 . 1 160 160 VAL H H 1 7.656 0.005 . 1 . . . . . 160 VAL HN . 28095 1 707 . 1 . 1 160 160 VAL C C 13 174.317 0.050 . 1 . . . . . 160 VAL C . 28095 1 708 . 1 . 1 160 160 VAL CA C 13 59.038 0.050 . 1 . . . . . 160 VAL CA . 28095 1 709 . 1 . 1 160 160 VAL CB C 13 33.982 0.050 . 1 . . . . . 160 VAL CB . 28095 1 710 . 1 . 1 160 160 VAL N N 15 117.068 0.050 . 1 . . . . . 160 VAL N . 28095 1 711 . 1 . 1 161 161 ALA H H 1 8.711 0.005 . 1 . . . . . 161 ALA HN . 28095 1 712 . 1 . 1 161 161 ALA C C 13 178.733 0.050 . 1 . . . . . 161 ALA C . 28095 1 713 . 1 . 1 161 161 ALA CA C 13 49.705 0.050 . 1 . . . . . 161 ALA CA . 28095 1 714 . 1 . 1 161 161 ALA CB C 13 17.098 0.050 . 1 . . . . . 161 ALA CB . 28095 1 715 . 1 . 1 161 161 ALA N N 15 126.397 0.050 . 1 . . . . . 161 ALA N . 28095 1 716 . 1 . 1 162 162 PRO C C 13 177.521 0.050 . 1 . . . . . 162 PRO C . 28095 1 717 . 1 . 1 162 162 PRO CA C 13 65.689 0.050 . 1 . . . . . 162 PRO CA . 28095 1 718 . 1 . 1 162 162 PRO CB C 13 30.658 0.050 . 1 . . . . . 162 PRO CB . 28095 1 719 . 1 . 1 163 163 SER H H 1 7.774 0.005 . 1 . . . . . 163 SER HN . 28095 1 720 . 1 . 1 163 163 SER C C 13 175.931 0.050 . 1 . . . . . 163 SER C . 28095 1 721 . 1 . 1 163 163 SER CA C 13 59.849 0.050 . 1 . . . . . 163 SER CA . 28095 1 722 . 1 . 1 163 163 SER CB C 13 61.870 0.050 . 1 . . . . . 163 SER CB . 28095 1 723 . 1 . 1 163 163 SER N N 15 106.767 0.050 . 1 . . . . . 163 SER N . 28095 1 724 . 1 . 1 164 164 GLU H H 1 7.842 0.005 . 1 . . . . . 164 GLU HN . 28095 1 725 . 1 . 1 164 164 GLU C C 13 174.788 0.050 . 1 . . . . . 164 GLU C . 28095 1 726 . 1 . 1 164 164 GLU CA C 13 55.547 0.050 . 1 . . . . . 164 GLU CA . 28095 1 727 . 1 . 1 164 164 GLU CB C 13 29.104 0.050 . 1 . . . . . 164 GLU CB . 28095 1 728 . 1 . 1 164 164 GLU N N 15 121.695 0.050 . 1 . . . . . 164 GLU N . 28095 1 729 . 1 . 1 165 165 SER H H 1 8.046 0.005 . 1 . . . . . 165 SER HN . 28095 1 730 . 1 . 1 165 165 SER C C 13 172.110 0.050 . 1 . . . . . 165 SER C . 28095 1 731 . 1 . 1 165 165 SER CA C 13 57.582 0.050 . 1 . . . . . 165 SER CA . 28095 1 732 . 1 . 1 165 165 SER CB C 13 65.269 0.050 . 1 . . . . . 165 SER CB . 28095 1 733 . 1 . 1 165 165 SER N N 15 114.768 0.050 . 1 . . . . . 165 SER N . 28095 1 734 . 1 . 1 166 166 ILE H H 1 7.706 0.005 . 1 . . . . . 166 ILE HN . 28095 1 735 . 1 . 1 166 166 ILE C C 13 175.358 0.050 . 1 . . . . . 166 ILE C . 28095 1 736 . 1 . 1 166 166 ILE CA C 13 58.938 0.050 . 1 . . . . . 166 ILE CA . 28095 1 737 . 1 . 1 166 166 ILE CB C 13 40.545 0.050 . 1 . . . . . 166 ILE CB . 28095 1 738 . 1 . 1 166 166 ILE N N 15 121.681 0.050 . 1 . . . . . 166 ILE N . 28095 1 739 . 1 . 1 167 167 GLY H H 1 8.724 0.005 . 1 . . . . . 167 GLY HN . 28095 1 740 . 1 . 1 167 167 GLY C C 13 170.408 0.050 . 1 . . . . . 167 GLY C . 28095 1 741 . 1 . 1 167 167 GLY CA C 13 43.334 0.050 . 1 . . . . . 167 GLY CA . 28095 1 742 . 1 . 1 167 167 GLY N N 15 112.398 0.050 . 1 . . . . . 167 GLY N . 28095 1 743 . 1 . 1 168 168 LEU H H 1 7.871 0.005 . 1 . . . . . 168 LEU HN . 28095 1 744 . 1 . 1 168 168 LEU C C 13 175.375 0.050 . 1 . . . . . 168 LEU C . 28095 1 745 . 1 . 1 168 168 LEU CA C 13 53.412 0.050 . 1 . . . . . 168 LEU CA . 28095 1 746 . 1 . 1 168 168 LEU CB C 13 40.977 0.050 . 1 . . . . . 168 LEU CB . 28095 1 747 . 1 . 1 168 168 LEU N N 15 123.271 0.050 . 1 . . . . . 168 LEU N . 28095 1 748 . 1 . 1 169 169 GLU H H 1 6.875 0.005 . 1 . . . . . 169 GLU HN . 28095 1 749 . 1 . 1 169 169 GLU C C 13 174.048 0.050 . 1 . . . . . 169 GLU C . 28095 1 750 . 1 . 1 169 169 GLU CA C 13 56.443 0.050 . 1 . . . . . 169 GLU CA . 28095 1 751 . 1 . 1 169 169 GLU N N 15 123.352 0.050 . 1 . . . . . 169 GLU N . 28095 1 752 . 1 . 1 171 171 SER C C 13 174.193 0.050 . 1 . . . . . 171 SER C . 28095 1 753 . 1 . 1 171 171 SER CA C 13 55.918 0.050 . 1 . . . . . 171 SER CA . 28095 1 754 . 1 . 1 172 172 GLN H H 1 9.310 0.005 . 1 . . . . . 172 GLN HN . 28095 1 755 . 1 . 1 172 172 GLN C C 13 178.418 0.050 . 1 . . . . . 172 GLN C . 28095 1 756 . 1 . 1 172 172 GLN CA C 13 59.946 0.050 . 1 . . . . . 172 GLN CA . 28095 1 757 . 1 . 1 172 172 GLN CB C 13 27.039 0.050 . 1 . . . . . 172 GLN CB . 28095 1 758 . 1 . 1 172 172 GLN N N 15 126.525 0.050 . 1 . . . . . 172 GLN N . 28095 1 759 . 1 . 1 173 173 ALA H H 1 8.863 0.005 . 1 . . . . . 173 ALA HN . 28095 1 760 . 1 . 1 173 173 ALA C C 13 180.358 0.050 . 1 . . . . . 173 ALA C . 28095 1 761 . 1 . 1 173 173 ALA CA C 13 54.150 0.050 . 1 . . . . . 173 ALA CA . 28095 1 762 . 1 . 1 173 173 ALA CB C 13 17.274 0.050 . 1 . . . . . 173 ALA CB . 28095 1 763 . 1 . 1 173 173 ALA N N 15 120.471 0.050 . 1 . . . . . 173 ALA N . 28095 1 764 . 1 . 1 174 174 GLY H H 1 7.781 0.005 . 1 . . . . . 174 GLY HN . 28095 1 765 . 1 . 1 174 174 GLY C C 13 175.099 0.050 . 1 . . . . . 174 GLY C . 28095 1 766 . 1 . 1 174 174 GLY CA C 13 46.194 0.050 . 1 . . . . . 174 GLY CA . 28095 1 767 . 1 . 1 174 174 GLY N N 15 105.715 0.050 . 1 . . . . . 174 GLY N . 28095 1 768 . 1 . 1 175 175 ILE H H 1 8.269 0.005 . 1 . . . . . 175 ILE HN . 28095 1 769 . 1 . 1 175 175 ILE C C 13 177.845 0.050 . 1 . . . . . 175 ILE C . 28095 1 770 . 1 . 1 175 175 ILE CA C 13 62.281 0.050 . 1 . . . . . 175 ILE CA . 28095 1 771 . 1 . 1 175 175 ILE CB C 13 34.398 0.050 . 1 . . . . . 175 ILE CB . 28095 1 772 . 1 . 1 175 175 ILE N N 15 123.186 0.050 . 1 . . . . . 175 ILE N . 28095 1 773 . 1 . 1 176 176 GLN H H 1 8.090 0.005 . 1 . . . . . 176 GLN HN . 28095 1 774 . 1 . 1 176 176 GLN C C 13 177.045 0.050 . 1 . . . . . 176 GLN C . 28095 1 775 . 1 . 1 176 176 GLN CA C 13 58.266 0.050 . 1 . . . . . 176 GLN CA . 28095 1 776 . 1 . 1 176 176 GLN CB C 13 27.209 0.050 . 1 . . . . . 176 GLN CB . 28095 1 777 . 1 . 1 176 176 GLN N N 15 120.406 0.050 . 1 . . . . . 176 GLN N . 28095 1 778 . 1 . 1 177 177 ALA H H 1 7.658 0.005 . 1 . . . . . 177 ALA HN . 28095 1 779 . 1 . 1 177 177 ALA C C 13 179.655 0.050 . 1 . . . . . 177 ALA C . 28095 1 780 . 1 . 1 177 177 ALA CA C 13 54.740 0.050 . 1 . . . . . 177 ALA CA . 28095 1 781 . 1 . 1 177 177 ALA CB C 13 19.075 0.050 . 1 . . . . . 177 ALA CB . 28095 1 782 . 1 . 1 177 177 ALA N N 15 122.201 0.050 . 1 . . . . . 177 ALA N . 28095 1 783 . 1 . 1 178 178 ILE H H 1 7.956 0.005 . 1 . . . . . 178 ILE HN . 28095 1 784 . 1 . 1 178 178 ILE C C 13 180.431 0.050 . 1 . . . . . 178 ILE C . 28095 1 785 . 1 . 1 178 178 ILE CA C 13 64.886 0.050 . 1 . . . . . 178 ILE CA . 28095 1 786 . 1 . 1 178 178 ILE CB C 13 36.513 0.050 . 1 . . . . . 178 ILE CB . 28095 1 787 . 1 . 1 178 178 ILE N N 15 117.775 0.050 . 1 . . . . . 178 ILE N . 28095 1 788 . 1 . 1 179 179 LYS H H 1 8.663 0.005 . 1 . . . . . 179 LYS HN . 28095 1 789 . 1 . 1 179 179 LYS C C 13 181.060 0.050 . 1 . . . . . 179 LYS C . 28095 1 790 . 1 . 1 179 179 LYS CA C 13 59.623 0.050 . 1 . . . . . 179 LYS CA . 28095 1 791 . 1 . 1 179 179 LYS CB C 13 31.773 0.050 . 1 . . . . . 179 LYS CB . 28095 1 792 . 1 . 1 179 179 LYS N N 15 120.997 0.050 . 1 . . . . . 179 LYS N . 28095 1 793 . 1 . 1 180 180 ASP H H 1 8.671 0.005 . 1 . . . . . 180 ASP HN . 28095 1 794 . 1 . 1 180 180 ASP C C 13 177.541 0.050 . 1 . . . . . 180 ASP C . 28095 1 795 . 1 . 1 180 180 ASP CA C 13 56.281 0.050 . 1 . . . . . 180 ASP CA . 28095 1 796 . 1 . 1 180 180 ASP CB C 13 38.627 0.050 . 1 . . . . . 180 ASP CB . 28095 1 797 . 1 . 1 180 180 ASP N N 15 119.253 0.050 . 1 . . . . . 180 ASP N . 28095 1 798 . 1 . 1 181 181 SER H H 1 8.091 0.005 . 1 . . . . . 181 SER HN . 28095 1 799 . 1 . 1 181 181 SER C C 13 173.835 0.050 . 1 . . . . . 181 SER C . 28095 1 800 . 1 . 1 181 181 SER CA C 13 60.412 0.050 . 1 . . . . . 181 SER CA . 28095 1 801 . 1 . 1 181 181 SER CB C 13 64.249 0.050 . 1 . . . . . 181 SER CB . 28095 1 802 . 1 . 1 181 181 SER N N 15 117.051 0.050 . 1 . . . . . 181 SER N . 28095 1 803 . 1 . 1 182 182 GLY H H 1 7.350 0.005 . 1 . . . . . 182 GLY HN . 28095 1 804 . 1 . 1 182 182 GLY C C 13 173.370 0.050 . 1 . . . . . 182 GLY C . 28095 1 805 . 1 . 1 182 182 GLY CA C 13 44.137 0.050 . 1 . . . . . 182 GLY CA . 28095 1 806 . 1 . 1 182 182 GLY N N 15 109.007 0.050 . 1 . . . . . 182 GLY N . 28095 1 807 . 1 . 1 183 183 ALA H H 1 7.180 0.005 . 1 . . . . . 183 ALA HN . 28095 1 808 . 1 . 1 183 183 ALA C C 13 174.931 0.050 . 1 . . . . . 183 ALA C . 28095 1 809 . 1 . 1 183 183 ALA CA C 13 50.815 0.050 . 1 . . . . . 183 ALA CA . 28095 1 810 . 1 . 1 183 183 ALA CB C 13 19.617 0.050 . 1 . . . . . 183 ALA CB . 28095 1 811 . 1 . 1 183 183 ALA N N 15 124.293 0.050 . 1 . . . . . 183 ALA N . 28095 1 812 . 1 . 1 184 184 LEU H H 1 8.168 0.005 . 1 . . . . . 184 LEU HN . 28095 1 813 . 1 . 1 184 184 LEU C C 13 174.926 0.050 . 1 . . . . . 184 LEU C . 28095 1 814 . 1 . 1 184 184 LEU CA C 13 51.725 0.050 . 1 . . . . . 184 LEU CA . 28095 1 815 . 1 . 1 184 184 LEU CB C 13 43.241 0.050 . 1 . . . . . 184 LEU CB . 28095 1 816 . 1 . 1 184 184 LEU N N 15 122.675 0.050 . 1 . . . . . 184 LEU N . 28095 1 817 . 1 . 1 185 185 PRO C C 13 176.510 0.050 . 1 . . . . . 185 PRO C . 28095 1 818 . 1 . 1 185 185 PRO CA C 13 61.302 0.050 . 1 . . . . . 185 PRO CA . 28095 1 819 . 1 . 1 185 185 PRO CB C 13 31.794 0.050 . 1 . . . . . 185 PRO CB . 28095 1 820 . 1 . 1 186 186 ILE H H 1 8.262 0.005 . 1 . . . . . 186 ILE HN . 28095 1 821 . 1 . 1 186 186 ILE C C 13 178.518 0.050 . 1 . . . . . 186 ILE C . 28095 1 822 . 1 . 1 186 186 ILE CA C 13 61.558 0.050 . 1 . . . . . 186 ILE CA . 28095 1 823 . 1 . 1 186 186 ILE CB C 13 38.114 0.050 . 1 . . . . . 186 ILE CB . 28095 1 824 . 1 . 1 186 186 ILE N N 15 119.319 0.050 . 1 . . . . . 186 ILE N . 28095 1 825 . 1 . 1 187 187 GLY H H 1 8.925 0.005 . 1 . . . . . 187 GLY HN . 28095 1 826 . 1 . 1 187 187 GLY C C 13 171.079 0.050 . 1 . . . . . 187 GLY C . 28095 1 827 . 1 . 1 187 187 GLY CA C 13 45.027 0.050 . 1 . . . . . 187 GLY CA . 28095 1 828 . 1 . 1 187 187 GLY N N 15 115.777 0.050 . 1 . . . . . 187 GLY N . 28095 1 829 . 1 . 1 188 188 VAL H H 1 7.908 0.005 . 1 . . . . . 188 VAL HN . 28095 1 830 . 1 . 1 188 188 VAL C C 13 174.034 0.050 . 1 . . . . . 188 VAL C . 28095 1 831 . 1 . 1 188 188 VAL CA C 13 57.173 0.050 . 1 . . . . . 188 VAL CA . 28095 1 832 . 1 . 1 188 188 VAL CB C 13 31.946 0.050 . 1 . . . . . 188 VAL CB . 28095 1 833 . 1 . 1 188 188 VAL N N 15 118.703 0.050 . 1 . . . . . 188 VAL N . 28095 1 834 . 1 . 1 189 189 GLY H H 1 8.359 0.005 . 1 . . . . . 189 GLY HN . 28095 1 835 . 1 . 1 189 189 GLY C C 13 171.101 0.050 . 1 . . . . . 189 GLY C . 28095 1 836 . 1 . 1 189 189 GLY CA C 13 44.175 0.050 . 1 . . . . . 189 GLY CA . 28095 1 837 . 1 . 1 189 189 GLY N N 15 113.644 0.050 . 1 . . . . . 189 GLY N . 28095 1 838 . 1 . 1 190 190 ARG H H 1 8.652 0.005 . 1 . . . . . 190 ARG HN . 28095 1 839 . 1 . 1 190 190 ARG C C 13 176.009 0.050 . 1 . . . . . 190 ARG C . 28095 1 840 . 1 . 1 190 190 ARG CA C 13 52.587 0.050 . 1 . . . . . 190 ARG CA . 28095 1 841 . 1 . 1 190 190 ARG CB C 13 29.930 0.050 . 1 . . . . . 190 ARG CB . 28095 1 842 . 1 . 1 190 190 ARG N N 15 120.755 0.050 . 1 . . . . . 190 ARG N . 28095 1 843 . 1 . 1 191 191 PRO C C 13 178.812 0.050 . 1 . . . . . 191 PRO C . 28095 1 844 . 1 . 1 191 191 PRO CA C 13 64.604 0.050 . 1 . . . . . 191 PRO CA . 28095 1 845 . 1 . 1 191 191 PRO CB C 13 30.775 0.050 . 1 . . . . . 191 PRO CB . 28095 1 846 . 1 . 1 192 192 GLU H H 1 9.691 0.005 . 1 . . . . . 192 GLU HN . 28095 1 847 . 1 . 1 192 192 GLU C C 13 176.859 0.050 . 1 . . . . . 192 GLU C . 28095 1 848 . 1 . 1 192 192 GLU CA C 13 59.344 0.050 . 1 . . . . . 192 GLU CA . 28095 1 849 . 1 . 1 192 192 GLU CB C 13 27.600 0.050 . 1 . . . . . 192 GLU CB . 28095 1 850 . 1 . 1 192 192 GLU N N 15 118.599 0.050 . 1 . . . . . 192 GLU N . 28095 1 851 . 1 . 1 193 193 ASP H H 1 7.181 0.005 . 1 . . . . . 193 ASP HN . 28095 1 852 . 1 . 1 193 193 ASP C C 13 176.851 0.050 . 1 . . . . . 193 ASP C . 28095 1 853 . 1 . 1 193 193 ASP CA C 13 54.924 0.050 . 1 . . . . . 193 ASP CA . 28095 1 854 . 1 . 1 193 193 ASP CB C 13 41.776 0.050 . 1 . . . . . 193 ASP CB . 28095 1 855 . 1 . 1 193 193 ASP N N 15 115.393 0.050 . 1 . . . . . 193 ASP N . 28095 1 856 . 1 . 1 194 194 LEU H H 1 7.593 0.005 . 1 . . . . . 194 LEU HN . 28095 1 857 . 1 . 1 194 194 LEU C C 13 176.170 0.050 . 1 . . . . . 194 LEU C . 28095 1 858 . 1 . 1 194 194 LEU CA C 13 55.841 0.050 . 1 . . . . . 194 LEU CA . 28095 1 859 . 1 . 1 194 194 LEU CB C 13 42.831 0.050 . 1 . . . . . 194 LEU CB . 28095 1 860 . 1 . 1 194 194 LEU N N 15 117.260 0.050 . 1 . . . . . 194 LEU N . 28095 1 861 . 1 . 1 195 195 GLY H H 1 8.024 0.005 . 1 . . . . . 195 GLY HN . 28095 1 862 . 1 . 1 195 195 GLY C C 13 172.752 0.050 . 1 . . . . . 195 GLY C . 28095 1 863 . 1 . 1 195 195 GLY CA C 13 43.678 0.050 . 1 . . . . . 195 GLY CA . 28095 1 864 . 1 . 1 195 195 GLY N N 15 107.143 0.050 . 1 . . . . . 195 GLY N . 28095 1 865 . 1 . 1 196 196 ASP H H 1 7.971 0.005 . 1 . . . . . 196 ASP HN . 28095 1 866 . 1 . 1 196 196 ASP C C 13 176.960 0.050 . 1 . . . . . 196 ASP C . 28095 1 867 . 1 . 1 196 196 ASP CA C 13 53.792 0.050 . 1 . . . . . 196 ASP CA . 28095 1 868 . 1 . 1 196 196 ASP CB C 13 41.147 0.050 . 1 . . . . . 196 ASP CB . 28095 1 869 . 1 . 1 196 196 ASP N N 15 116.851 0.050 . 1 . . . . . 196 ASP N . 28095 1 870 . 1 . 1 197 197 ASP H H 1 8.846 0.005 . 1 . . . . . 197 ASP HN . 28095 1 871 . 1 . 1 197 197 ASP C C 13 175.320 0.050 . 1 . . . . . 197 ASP C . 28095 1 872 . 1 . 1 197 197 ASP CA C 13 53.528 0.050 . 1 . . . . . 197 ASP CA . 28095 1 873 . 1 . 1 197 197 ASP CB C 13 39.528 0.050 . 1 . . . . . 197 ASP CB . 28095 1 874 . 1 . 1 197 197 ASP N N 15 117.207 0.050 . 1 . . . . . 197 ASP N . 28095 1 875 . 1 . 1 198 198 ILE H H 1 6.901 0.005 . 1 . . . . . 198 ILE HN . 28095 1 876 . 1 . 1 198 198 ILE C C 13 175.427 0.050 . 1 . . . . . 198 ILE C . 28095 1 877 . 1 . 1 198 198 ILE CA C 13 58.140 0.050 . 1 . . . . . 198 ILE CA . 28095 1 878 . 1 . 1 198 198 ILE CB C 13 40.324 0.050 . 1 . . . . . 198 ILE CB . 28095 1 879 . 1 . 1 198 198 ILE N N 15 114.153 0.050 . 1 . . . . . 198 ILE N . 28095 1 880 . 1 . 1 199 199 VAL H H 1 9.015 0.005 . 1 . . . . . 199 VAL HN . 28095 1 881 . 1 . 1 199 199 VAL C C 13 174.351 0.050 . 1 . . . . . 199 VAL C . 28095 1 882 . 1 . 1 199 199 VAL CA C 13 63.753 0.050 . 1 . . . . . 199 VAL CA . 28095 1 883 . 1 . 1 199 199 VAL CB C 13 30.237 0.050 . 1 . . . . . 199 VAL CB . 28095 1 884 . 1 . 1 199 199 VAL N N 15 125.895 0.050 . 1 . . . . . 199 VAL N . 28095 1 885 . 1 . 1 200 200 ILE H H 1 7.997 0.005 . 1 . . . . . 200 ILE HN . 28095 1 886 . 1 . 1 200 200 ILE C C 13 176.091 0.050 . 1 . . . . . 200 ILE C . 28095 1 887 . 1 . 1 200 200 ILE CA C 13 58.227 0.050 . 1 . . . . . 200 ILE CA . 28095 1 888 . 1 . 1 200 200 ILE CB C 13 41.221 0.050 . 1 . . . . . 200 ILE CB . 28095 1 889 . 1 . 1 200 200 ILE N N 15 125.757 0.050 . 1 . . . . . 200 ILE N . 28095 1 890 . 1 . 1 201 201 VAL H H 1 8.751 0.005 . 1 . . . . . 201 VAL HN . 28095 1 891 . 1 . 1 201 201 VAL C C 13 174.417 0.050 . 1 . . . . . 201 VAL C . 28095 1 892 . 1 . 1 201 201 VAL CA C 13 56.273 0.050 . 1 . . . . . 201 VAL CA . 28095 1 893 . 1 . 1 201 201 VAL CB C 13 31.589 0.050 . 1 . . . . . 201 VAL CB . 28095 1 894 . 1 . 1 201 201 VAL N N 15 119.623 0.050 . 1 . . . . . 201 VAL N . 28095 1 895 . 1 . 1 202 202 PRO C C 13 177.229 0.050 . 1 . . . . . 202 PRO C . 28095 1 896 . 1 . 1 202 202 PRO CA C 13 63.979 0.050 . 1 . . . . . 202 PRO CA . 28095 1 897 . 1 . 1 202 202 PRO CB C 13 31.053 0.050 . 1 . . . . . 202 PRO CB . 28095 1 898 . 1 . 1 203 203 ASP H H 1 6.841 0.005 . 1 . . . . . 203 ASP HN . 28095 1 899 . 1 . 1 203 203 ASP C C 13 175.794 0.050 . 1 . . . . . 203 ASP C . 28095 1 900 . 1 . 1 203 203 ASP CA C 13 53.086 0.050 . 1 . . . . . 203 ASP CA . 28095 1 901 . 1 . 1 203 203 ASP CB C 13 41.495 0.050 . 1 . . . . . 203 ASP CB . 28095 1 902 . 1 . 1 203 203 ASP N N 15 109.977 0.050 . 1 . . . . . 203 ASP N . 28095 1 903 . 1 . 1 204 204 THR H H 1 8.222 0.005 . 1 . . . . . 204 THR HN . 28095 1 904 . 1 . 1 204 204 THR C C 13 176.525 0.050 . 1 . . . . . 204 THR C . 28095 1 905 . 1 . 1 204 204 THR CA C 13 65.328 0.050 . 1 . . . . . 204 THR CA . 28095 1 906 . 1 . 1 204 204 THR CB C 13 68.828 0.050 . 1 . . . . . 204 THR CB . 28095 1 907 . 1 . 1 204 204 THR N N 15 109.141 0.050 . 1 . . . . . 204 THR N . 28095 1 908 . 1 . 1 205 205 SER H H 1 8.853 0.005 . 1 . . . . . 205 SER HN . 28095 1 909 . 1 . 1 205 205 SER C C 13 175.629 0.050 . 1 . . . . . 205 SER C . 28095 1 910 . 1 . 1 205 205 SER CA C 13 61.282 0.050 . 1 . . . . . 205 SER CA . 28095 1 911 . 1 . 1 205 205 SER CB C 13 61.989 0.050 . 1 . . . . . 205 SER CB . 28095 1 912 . 1 . 1 205 205 SER N N 15 119.284 0.050 . 1 . . . . . 205 SER N . 28095 1 913 . 1 . 1 206 206 HIS H H 1 7.244 0.005 . 1 . . . . . 206 HIS HN . 28095 1 914 . 1 . 1 206 206 HIS C C 13 176.728 0.050 . 1 . . . . . 206 HIS C . 28095 1 915 . 1 . 1 206 206 HIS CA C 13 56.758 0.050 . 1 . . . . . 206 HIS CA . 28095 1 916 . 1 . 1 206 206 HIS CB C 13 30.149 0.050 . 1 . . . . . 206 HIS CB . 28095 1 917 . 1 . 1 206 206 HIS N N 15 118.121 0.050 . 1 . . . . . 206 HIS N . 28095 1 918 . 1 . 1 207 207 TYR H H 1 7.801 0.005 . 1 . . . . . 207 TYR HN . 28095 1 919 . 1 . 1 207 207 TYR C C 13 173.544 0.050 . 1 . . . . . 207 TYR C . 28095 1 920 . 1 . 1 207 207 TYR CA C 13 54.306 0.050 . 1 . . . . . 207 TYR CA . 28095 1 921 . 1 . 1 207 207 TYR CB C 13 35.355 0.050 . 1 . . . . . 207 TYR CB . 28095 1 922 . 1 . 1 207 207 TYR N N 15 120.057 0.050 . 1 . . . . . 207 TYR N . 28095 1 923 . 1 . 1 208 208 THR H H 1 7.345 0.005 . 1 . . . . . 208 THR HN . 28095 1 924 . 1 . 1 208 208 THR C C 13 174.711 0.050 . 1 . . . . . 208 THR C . 28095 1 925 . 1 . 1 208 208 THR CA C 13 57.922 0.050 . 1 . . . . . 208 THR CA . 28095 1 926 . 1 . 1 208 208 THR CB C 13 71.129 0.050 . 1 . . . . . 208 THR CB . 28095 1 927 . 1 . 1 208 208 THR N N 15 114.317 0.050 . 1 . . . . . 208 THR N . 28095 1 928 . 1 . 1 209 209 LEU H H 1 9.523 0.005 . 1 . . . . . 209 LEU HN . 28095 1 929 . 1 . 1 209 209 LEU C C 13 177.850 0.050 . 1 . . . . . 209 LEU C . 28095 1 930 . 1 . 1 209 209 LEU CA C 13 58.291 0.050 . 1 . . . . . 209 LEU CA . 28095 1 931 . 1 . 1 209 209 LEU CB C 13 39.764 0.050 . 1 . . . . . 209 LEU CB . 28095 1 932 . 1 . 1 209 209 LEU N N 15 125.014 0.050 . 1 . . . . . 209 LEU N . 28095 1 933 . 1 . 1 210 210 GLU H H 1 8.606 0.005 . 1 . . . . . 210 GLU HN . 28095 1 934 . 1 . 1 210 210 GLU C C 13 178.839 0.050 . 1 . . . . . 210 GLU C . 28095 1 935 . 1 . 1 210 210 GLU CA C 13 59.511 0.050 . 1 . . . . . 210 GLU CA . 28095 1 936 . 1 . 1 210 210 GLU CB C 13 28.424 0.050 . 1 . . . . . 210 GLU CB . 28095 1 937 . 1 . 1 210 210 GLU N N 15 116.644 0.050 . 1 . . . . . 210 GLU N . 28095 1 938 . 1 . 1 211 211 PHE H H 1 8.187 0.005 . 1 . . . . . 211 PHE HN . 28095 1 939 . 1 . 1 211 211 PHE C C 13 176.794 0.050 . 1 . . . . . 211 PHE C . 28095 1 940 . 1 . 1 211 211 PHE CA C 13 60.919 0.050 . 1 . . . . . 211 PHE CA . 28095 1 941 . 1 . 1 211 211 PHE CB C 13 39.380 0.050 . 1 . . . . . 211 PHE CB . 28095 1 942 . 1 . 1 211 211 PHE N N 15 122.077 0.050 . 1 . . . . . 211 PHE N . 28095 1 943 . 1 . 1 212 212 LEU H H 1 8.391 0.005 . 1 . . . . . 212 LEU HN . 28095 1 944 . 1 . 1 212 212 LEU C C 13 179.075 0.050 . 1 . . . . . 212 LEU C . 28095 1 945 . 1 . 1 212 212 LEU CA C 13 58.978 0.050 . 1 . . . . . 212 LEU CA . 28095 1 946 . 1 . 1 212 212 LEU CB C 13 39.875 0.050 . 1 . . . . . 212 LEU CB . 28095 1 947 . 1 . 1 212 212 LEU N N 15 119.595 0.050 . 1 . . . . . 212 LEU N . 28095 1 948 . 1 . 1 213 213 LYS H H 1 8.436 0.005 . 1 . . . . . 213 LYS HN . 28095 1 949 . 1 . 1 213 213 LYS C C 13 178.114 0.050 . 1 . . . . . 213 LYS C . 28095 1 950 . 1 . 1 213 213 LYS CA C 13 60.562 0.050 . 1 . . . . . 213 LYS CA . 28095 1 951 . 1 . 1 213 213 LYS CB C 13 31.949 0.050 . 1 . . . . . 213 LYS CB . 28095 1 952 . 1 . 1 213 213 LYS N N 15 116.133 0.050 . 1 . . . . . 213 LYS N . 28095 1 953 . 1 . 1 214 214 GLU H H 1 7.792 0.005 . 1 . . . . . 214 GLU HN . 28095 1 954 . 1 . 1 214 214 GLU C C 13 179.635 0.050 . 1 . . . . . 214 GLU C . 28095 1 955 . 1 . 1 214 214 GLU CA C 13 59.127 0.050 . 1 . . . . . 214 GLU CA . 28095 1 956 . 1 . 1 214 214 GLU CB C 13 28.561 0.050 . 1 . . . . . 214 GLU CB . 28095 1 957 . 1 . 1 214 214 GLU N N 15 120.287 0.050 . 1 . . . . . 214 GLU N . 28095 1 958 . 1 . 1 215 215 VAL H H 1 8.236 0.005 . 1 . . . . . 215 VAL HN . 28095 1 959 . 1 . 1 215 215 VAL C C 13 178.437 0.050 . 1 . . . . . 215 VAL C . 28095 1 960 . 1 . 1 215 215 VAL CA C 13 65.775 0.050 . 1 . . . . . 215 VAL CA . 28095 1 961 . 1 . 1 215 215 VAL CB C 13 30.602 0.050 . 1 . . . . . 215 VAL CB . 28095 1 962 . 1 . 1 215 215 VAL N N 15 120.146 0.050 . 1 . . . . . 215 VAL N . 28095 1 963 . 1 . 1 216 216 TRP H H 1 8.469 0.005 . 1 . . . . . 216 TRP HN . 28095 1 964 . 1 . 1 216 216 TRP C C 13 178.656 0.050 . 1 . . . . . 216 TRP C . 28095 1 965 . 1 . 1 216 216 TRP CA C 13 60.593 0.050 . 1 . . . . . 216 TRP CA . 28095 1 966 . 1 . 1 216 216 TRP CB C 13 28.941 0.050 . 1 . . . . . 216 TRP CB . 28095 1 967 . 1 . 1 216 216 TRP N N 15 120.615 0.050 . 1 . . . . . 216 TRP N . 28095 1 968 . 1 . 1 217 217 LEU H H 1 8.227 0.005 . 1 . . . . . 217 LEU HN . 28095 1 969 . 1 . 1 217 217 LEU C C 13 179.911 0.050 . 1 . . . . . 217 LEU C . 28095 1 970 . 1 . 1 217 217 LEU CA C 13 57.088 0.050 . 1 . . . . . 217 LEU CA . 28095 1 971 . 1 . 1 217 217 LEU CB C 13 40.931 0.050 . 1 . . . . . 217 LEU CB . 28095 1 972 . 1 . 1 217 217 LEU N N 15 116.949 0.050 . 1 . . . . . 217 LEU N . 28095 1 973 . 1 . 1 218 218 GLN H H 1 7.848 0.005 . 1 . . . . . 218 GLN HN . 28095 1 974 . 1 . 1 218 218 GLN C C 13 177.749 0.050 . 1 . . . . . 218 GLN C . 28095 1 975 . 1 . 1 218 218 GLN CA C 13 57.250 0.050 . 1 . . . . . 218 GLN CA . 28095 1 976 . 1 . 1 218 218 GLN CB C 13 27.828 0.050 . 1 . . . . . 218 GLN CB . 28095 1 977 . 1 . 1 218 218 GLN N N 15 118.108 0.050 . 1 . . . . . 218 GLN N . 28095 1 978 . 1 . 1 219 219 LYS H H 1 7.567 0.005 . 1 . . . . . 219 LYS HN . 28095 1 979 . 1 . 1 219 219 LYS C C 13 176.651 0.050 . 1 . . . . . 219 LYS C . 28095 1 980 . 1 . 1 219 219 LYS CA C 13 55.355 0.050 . 1 . . . . . 219 LYS CA . 28095 1 981 . 1 . 1 219 219 LYS CB C 13 31.243 0.050 . 1 . . . . . 219 LYS CB . 28095 1 982 . 1 . 1 219 219 LYS N N 15 117.817 0.050 . 1 . . . . . 219 LYS N . 28095 1 983 . 1 . 1 220 220 GLN H H 1 7.656 0.005 . 1 . . . . . 220 GLN HN . 28095 1 984 . 1 . 1 220 220 GLN C C 13 175.105 0.050 . 1 . . . . . 220 GLN C . 28095 1 985 . 1 . 1 220 220 GLN CA C 13 55.136 0.050 . 1 . . . . . 220 GLN CA . 28095 1 986 . 1 . 1 220 220 GLN CB C 13 27.648 0.050 . 1 . . . . . 220 GLN CB . 28095 1 987 . 1 . 1 220 220 GLN N N 15 119.793 0.050 . 1 . . . . . 220 GLN N . 28095 1 988 . 1 . 1 221 221 LYS H H 1 7.573 0.005 . 1 . . . . . 221 LYS HN . 28095 1 989 . 1 . 1 221 221 LYS C C 13 181.504 0.050 . 1 . . . . . 221 LYS C . 28095 1 990 . 1 . 1 221 221 LYS CA C 13 57.274 0.050 . 1 . . . . . 221 LYS CA . 28095 1 991 . 1 . 1 221 221 LYS CB C 13 32.299 0.050 . 1 . . . . . 221 LYS CB . 28095 1 992 . 1 . 1 221 221 LYS N N 15 127.355 0.050 . 1 . . . . . 221 LYS N . 28095 1 stop_ save_